data_10292_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10292
_Entry.PDB_ID 2DMP
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY HA2 H 7 3.940 4.436 -0.496 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.940 4.465 -0.525 1
1 3 . 1 1 1 A 7 7 GLY C C 7 173.532 172.541 0.991 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.255 44.630 0.625 1
1 5 . 1 1 1 A 8 8 ALA H H 8 8.010 8.520 -0.510 1
1 6 . 1 1 1 A 8 8 ALA HA H 8 4.259 4.346 -0.087 1
1 10 . 1 1 1 A 8 8 ALA C C 8 176.987 176.647 0.340 1
1 11 . 1 1 1 A 8 8 ALA CA C 8 52.334 51.966 0.368 1
1 12 . 1 1 1 A 8 8 ALA CB C 8 19.389 19.907 -0.518 1
1 13 . 1 1 1 A 8 8 ALA N N 8 123.317 122.446 0.871 1
1 14 . 1 1 1 A 9 9 TYR H H 9 8.110 8.413 -0.303 1
1 15 . 1 1 1 A 9 9 TYR HA H 9 4.832 5.118 -0.286 1
1 22 . 1 1 1 A 9 9 TYR C C 9 174.112 172.302 1.810 1
1 23 . 1 1 1 A 9 9 TYR CA C 9 55.642 55.608 0.034 1
1 24 . 1 1 1 A 9 9 TYR CB C 9 38.292 38.866 -0.574 1
1 29 . 1 1 1 A 9 9 TYR N N 9 120.065 116.494 3.571 1
1 30 . 1 1 1 A 10 10 PRO HA H 10 4.377 4.822 -0.445 1
1 36 . 1 1 1 A 10 10 PRO C C 10 176.388 174.791 1.597 1
1 37 . 1 1 1 A 10 10 PRO CA C 10 63.332 62.712 0.620 1
1 38 . 1 1 1 A 10 10 PRO CB C 10 31.985 30.940 1.045 1
1 41 . 1 1 1 A 11 11 ASP H H 11 8.249 8.371 -0.122 1
1 42 . 1 1 1 A 11 11 ASP HA H 11 4.537 5.230 -0.693 1
1 45 . 1 1 1 A 11 11 ASP C C 11 175.893 173.877 2.016 1
1 46 . 1 1 1 A 11 11 ASP CA C 11 54.410 53.550 0.860 1
1 47 . 1 1 1 A 11 11 ASP CB C 11 41.149 44.755 -3.606 1
1 48 . 1 1 1 A 11 11 ASP N N 11 119.884 123.622 -3.738 1
1 49 . 1 1 1 A 12 12 PHE H H 12 8.028 8.784 -0.756 1
1 50 . 1 1 1 A 12 12 PHE HA H 12 4.616 5.456 -0.840 1
1 55 . 1 1 1 A 12 12 PHE C C 12 175.001 174.572 0.429 1
1 56 . 1 1 1 A 12 12 PHE CA C 12 57.417 55.523 1.894 1
1 57 . 1 1 1 A 12 12 PHE CB C 12 39.577 40.900 -1.323 1
1 60 . 1 1 1 A 12 12 PHE N N 12 119.972 117.992 1.980 1
1 61 . 1 1 1 A 13 13 ALA H H 13 8.118 8.624 -0.506 1
1 62 . 1 1 1 A 13 13 ALA HA H 13 4.570 4.421 0.149 1
1 66 . 1 1 1 A 13 13 ALA C C 13 175.002 177.373 -2.371 1
1 67 . 1 1 1 A 13 13 ALA CA C 13 50.500 50.381 0.119 1
1 68 . 1 1 1 A 13 13 ALA CB C 13 18.532 18.833 -0.301 1
1 69 . 1 1 1 A 13 13 ALA N N 13 126.968 127.780 -0.812 1
1 70 . 1 1 1 A 14 14 PRO HA H 14 4.349 4.546 -0.197 1
1 76 . 1 1 1 A 14 14 PRO C C 14 177.054 175.984 1.070 1
1 77 . 1 1 1 A 14 14 PRO CA C 14 63.380 64.147 -0.767 1
1 78 . 1 1 1 A 14 14 PRO CB C 14 31.960 31.644 0.316 1
1 81 . 1 1 1 A 15 15 GLN H H 15 8.411 7.494 0.917 1
1 82 . 1 1 1 A 15 15 GLN HA H 15 4.221 4.828 -0.607 1
1 88 . 1 1 1 A 15 15 GLN C C 15 175.815 174.835 0.980 1
1 89 . 1 1 1 A 15 15 GLN CA C 15 55.929 54.845 1.084 1
1 90 . 1 1 1 A 15 15 GLN CB C 15 29.270 31.468 -2.198 1
1 92 . 1 1 1 A 15 15 GLN N N 15 120.172 116.955 3.217 1
1 94 . 1 1 1 A 16 16 LYS H H 16 8.171 8.487 -0.316 1
1 95 . 1 1 1 A 16 16 LYS HA H 16 4.234 4.081 0.153 1
1 102 . 1 1 1 A 16 16 LYS C C 16 176.196 176.519 -0.323 1
1 103 . 1 1 1 A 16 16 LYS CA C 16 56.236 55.498 0.738 1
1 104 . 1 1 1 A 16 16 LYS CB C 16 33.171 33.513 -0.342 1
1 108 . 1 1 1 A 16 16 LYS N N 16 122.238 127.542 -5.304 1
1 109 . 1 1 1 A 17 17 PHE H H 17 8.257 7.919 0.338 1
1 110 . 1 1 1 A 17 17 PHE HA H 17 4.715 4.415 0.300 1
1 117 . 1 1 1 A 17 17 PHE C C 17 175.737 175.983 -0.246 1
1 118 . 1 1 1 A 17 17 PHE CA C 17 57.341 59.839 -2.498 1
1 119 . 1 1 1 A 17 17 PHE CB C 17 39.776 39.545 0.231 1
1 124 . 1 1 1 A 17 17 PHE N N 17 121.572 123.714 -2.142 1
1 125 . 1 1 1 A 18 18 LYS H H 18 8.411 8.934 -0.523 1
1 126 . 1 1 1 A 18 18 LYS HA H 18 4.285 4.816 -0.531 1
1 132 . 1 1 1 A 18 18 LYS C C 18 176.317 176.332 -0.015 1
1 133 . 1 1 1 A 18 18 LYS CA C 18 56.146 54.420 1.726 1
1 134 . 1 1 1 A 18 18 LYS CB C 18 33.269 34.710 -1.441 1
1 138 . 1 1 1 A 18 18 LYS N N 18 123.072 123.424 -0.352 1
1 139 . 1 1 1 A 19 19 GLU H H 19 8.494 8.508 -0.014 1
1 140 . 1 1 1 A 19 19 GLU HA H 19 4.243 4.257 -0.014 1
1 144 . 1 1 1 A 19 19 GLU C C 19 176.811 176.043 0.768 1
1 145 . 1 1 1 A 19 19 GLU CA C 19 56.916 56.704 0.212 1
1 146 . 1 1 1 A 19 19 GLU CB C 19 30.158 29.804 0.354 1
1 148 . 1 1 1 A 19 19 GLU N N 19 123.032 121.620 1.412 1
1 149 . 1 1 1 A 20 20 LYS H H 20 8.530 8.419 0.111 1
1 150 . 1 1 1 A 20 20 LYS HA H 20 4.560 4.239 0.321 1
1 159 . 1 1 1 A 20 20 LYS C C 20 177.491 176.927 0.564 1
1 160 . 1 1 1 A 20 20 LYS CA C 20 56.105 56.823 -0.718 1
1 161 . 1 1 1 A 20 20 LYS CB C 20 34.248 32.162 2.086 1
1 165 . 1 1 1 A 20 20 LYS N N 20 123.545 122.035 1.510 1
1 166 . 1 1 1 A 21 21 THR H H 21 8.868 8.891 -0.023 1
1 167 . 1 1 1 A 21 21 THR HA H 21 4.448 4.294 0.154 1
1 172 . 1 1 1 A 21 21 THR C C 21 175.491 176.105 -0.614 1
1 173 . 1 1 1 A 21 21 THR CA C 21 60.686 63.753 -3.067 1
1 174 . 1 1 1 A 21 21 THR CB C 21 70.760 69.041 1.719 1
1 176 . 1 1 1 A 21 21 THR N N 21 113.437 120.156 -6.719 1
1 177 . 1 1 1 A 22 22 GLN H H 22 8.993 8.807 0.186 1
1 178 . 1 1 1 A 22 22 GLN HA H 22 4.055 3.938 0.117 1
1 183 . 1 1 1 A 22 22 GLN C C 22 178.882 178.704 0.178 1
1 184 . 1 1 1 A 22 22 GLN CA C 22 58.899 58.815 0.084 1
1 185 . 1 1 1 A 22 22 GLN CB C 22 28.366 28.503 -0.137 1
1 187 . 1 1 1 A 22 22 GLN N N 22 120.458 124.999 -4.541 1
1 188 . 1 1 1 A 23 23 GLY H H 23 8.580 8.553 0.027 1
1 189 . 1 1 1 A 23 23 GLY HA2 H 23 3.843 3.729 0.114 1
1 190 . 1 1 1 A 23 23 GLY HA3 H 23 3.843 3.730 0.113 1
1 191 . 1 1 1 A 23 23 GLY C C 23 176.518 175.840 0.678 1
1 192 . 1 1 1 A 23 23 GLY CA C 23 46.750 47.433 -0.683 1
1 193 . 1 1 1 A 23 23 GLY N N 23 107.047 109.586 -2.539 1
1 194 . 1 1 1 A 24 24 GLN H H 24 7.771 7.977 -0.206 1
1 195 . 1 1 1 A 24 24 GLN HA H 24 3.844 3.936 -0.092 1
1 202 . 1 1 1 A 24 24 GLN C C 24 177.564 178.308 -0.744 1
1 203 . 1 1 1 A 24 24 GLN CA C 24 59.397 58.813 0.584 1
1 204 . 1 1 1 A 24 24 GLN CB C 24 29.250 28.394 0.856 1
1 206 . 1 1 1 A 24 24 GLN N N 24 120.555 120.979 -0.424 1
1 208 . 1 1 1 A 25 25 VAL H H 25 8.029 7.823 0.206 1
1 209 . 1 1 1 A 25 25 VAL HA H 25 3.163 3.265 -0.102 1
1 217 . 1 1 1 A 25 25 VAL C C 25 176.630 178.019 -1.389 1
1 218 . 1 1 1 A 25 25 VAL CA C 25 66.856 66.887 -0.031 1
1 219 . 1 1 1 A 25 25 VAL CB C 25 31.543 31.508 0.035 1
1 222 . 1 1 1 A 25 25 VAL N N 25 117.187 120.119 -2.932 1
1 223 . 1 1 1 A 26 26 LYS H H 26 7.924 8.024 -0.100 1
1 224 . 1 1 1 A 26 26 LYS HA H 26 3.995 3.945 0.050 1
1 230 . 1 1 1 A 26 26 LYS C C 26 178.199 179.416 -1.217 1
1 231 . 1 1 1 A 26 26 LYS CA C 26 59.506 60.096 -0.590 1
1 232 . 1 1 1 A 26 26 LYS CB C 26 32.209 32.518 -0.309 1
1 236 . 1 1 1 A 26 26 LYS N N 26 119.341 118.769 0.572 1
1 237 . 1 1 1 A 27 27 ILE H H 27 7.033 7.762 -0.729 1
1 238 . 1 1 1 A 27 27 ILE HA H 27 3.706 3.634 0.072 1
1 248 . 1 1 1 A 27 27 ILE C C 27 179.280 178.726 0.554 1
1 249 . 1 1 1 A 27 27 ILE CA C 27 64.803 65.236 -0.433 1
1 250 . 1 1 1 A 27 27 ILE CB C 27 38.361 37.597 0.764 1
1 254 . 1 1 1 A 27 27 ILE N N 27 117.901 120.327 -2.426 1
1 255 . 1 1 1 A 28 28 LEU H H 28 7.400 7.845 -0.445 1
1 256 . 1 1 1 A 28 28 LEU HA H 28 3.563 3.875 -0.312 1
1 266 . 1 1 1 A 28 28 LEU C C 28 177.369 178.644 -1.275 1
1 267 . 1 1 1 A 28 28 LEU CA C 28 58.256 57.893 0.363 1
1 268 . 1 1 1 A 28 28 LEU CB C 28 37.957 40.708 -2.751 1
1 272 . 1 1 1 A 28 28 LEU N N 28 121.290 119.787 1.503 1
1 273 . 1 1 1 A 29 29 GLU H H 29 8.880 8.617 0.263 1
1 274 . 1 1 1 A 29 29 GLU HA H 29 4.327 4.110 0.217 1
1 278 . 1 1 1 A 29 29 GLU C C 29 179.216 178.690 0.526 1
1 279 . 1 1 1 A 29 29 GLU CA C 29 59.430 59.903 -0.473 1
1 280 . 1 1 1 A 29 29 GLU CB C 29 29.276 29.387 -0.111 1
1 282 . 1 1 1 A 29 29 GLU N N 29 120.487 117.811 2.676 1
1 283 . 1 1 1 A 30 30 ASP H H 30 8.313 8.180 0.133 1
1 284 . 1 1 1 A 30 30 ASP HA H 30 4.422 4.380 0.042 1
1 287 . 1 1 1 A 30 30 ASP C C 30 179.036 178.602 0.434 1
1 288 . 1 1 1 A 30 30 ASP CA C 30 57.388 57.657 -0.269 1
1 289 . 1 1 1 A 30 30 ASP CB C 30 40.547 42.150 -1.603 1
1 290 . 1 1 1 A 30 30 ASP N N 30 118.471 120.118 -1.647 1
1 291 . 1 1 1 A 31 31 SER H H 31 7.406 7.964 -0.558 1
1 292 . 1 1 1 A 31 31 SER HA H 31 4.290 4.140 0.150 1
1 295 . 1 1 1 A 31 31 SER C C 31 177.290 175.915 1.375 1
1 296 . 1 1 1 A 31 31 SER CA C 31 61.575 62.416 -0.841 1
1 297 . 1 1 1 A 31 31 SER CB C 31 63.167 63.202 -0.035 1
1 298 . 1 1 1 A 31 31 SER N N 31 113.187 116.895 -3.708 1
1 299 . 1 1 1 A 32 32 PHE H H 32 9.117 8.695 0.422 1
1 300 . 1 1 1 A 32 32 PHE HA H 32 4.369 4.210 0.159 1
1 308 . 1 1 1 A 32 32 PHE C C 32 176.545 177.161 -0.616 1
1 309 . 1 1 1 A 32 32 PHE CA C 32 61.569 61.789 -0.220 1
1 310 . 1 1 1 A 32 32 PHE CB C 32 39.362 39.017 0.345 1
1 316 . 1 1 1 A 32 32 PHE N N 32 121.840 122.630 -0.790 1
1 317 . 1 1 1 A 33 33 LEU H H 33 8.235 8.852 -0.617 1
1 318 . 1 1 1 A 33 33 LEU HA H 33 3.965 4.071 -0.106 1
1 328 . 1 1 1 A 33 33 LEU C C 33 179.575 179.193 0.382 1
1 329 . 1 1 1 A 33 33 LEU CA C 33 56.998 58.365 -1.367 1
1 330 . 1 1 1 A 33 33 LEU CB C 33 42.053 41.879 0.174 1
1 334 . 1 1 1 A 33 33 LEU N N 33 115.363 120.079 -4.716 1
1 335 . 1 1 1 A 34 34 LYS H H 34 7.509 7.542 -0.033 1
1 336 . 1 1 1 A 34 34 LYS HA H 34 4.174 4.193 -0.019 1
1 343 . 1 1 1 A 34 34 LYS C C 34 178.190 176.460 1.730 1
1 344 . 1 1 1 A 34 34 LYS CA C 34 58.819 58.318 0.501 1
1 345 . 1 1 1 A 34 34 LYS CB C 34 32.352 33.093 -0.741 1
1 349 . 1 1 1 A 34 34 LYS N N 34 119.688 117.125 2.563 1
1 350 . 1 1 1 A 35 35 SER H H 35 8.130 8.326 -0.196 1
1 351 . 1 1 1 A 35 35 SER HA H 35 4.379 4.661 -0.282 1
1 354 . 1 1 1 A 35 35 SER C C 35 174.000 173.829 0.171 1
1 355 . 1 1 1 A 35 35 SER CA C 35 58.202 57.708 0.494 1
1 356 . 1 1 1 A 35 35 SER CB C 35 64.375 64.854 -0.479 1
1 357 . 1 1 1 A 35 35 SER N N 35 112.275 115.076 -2.801 1
1 358 . 1 1 1 A 36 36 SER H H 36 8.404 8.414 -0.010 1
1 359 . 1 1 1 A 36 36 SER HA H 36 3.952 2.598 1.354 1
1 362 . 1 1 1 A 36 36 SER C C 36 172.467 174.433 -1.966 1
1 363 . 1 1 1 A 36 36 SER CA C 36 59.127 61.253 -2.126 1
1 364 . 1 1 1 A 36 36 SER CB C 36 63.788 61.849 1.939 1
1 365 . 1 1 1 A 36 36 SER N N 36 121.307 120.990 0.317 1
1 366 . 1 1 1 A 37 37 PHE H H 37 7.735 7.515 0.220 1
1 367 . 1 1 1 A 37 37 PHE HA H 37 4.859 4.943 -0.084 1
1 375 . 1 1 1 A 37 37 PHE C C 37 172.549 174.181 -1.632 1
1 376 . 1 1 1 A 37 37 PHE CA C 37 55.604 55.329 0.275 1
1 377 . 1 1 1 A 37 37 PHE CB C 37 39.842 38.890 0.952 1
1 383 . 1 1 1 A 37 37 PHE N N 37 118.373 119.798 -1.425 1
1 384 . 1 1 1 A 38 38 PRO HA H 38 4.391 4.993 -0.602 1
1 391 . 1 1 1 A 38 38 PRO C C 38 177.660 175.965 1.695 1
1 392 . 1 1 1 A 38 38 PRO CA C 38 62.193 62.506 -0.313 1
1 393 . 1 1 1 A 38 38 PRO CB C 38 31.490 32.569 -1.079 1
1 396 . 1 1 1 A 39 39 THR H H 39 7.809 8.413 -0.604 1
1 397 . 1 1 1 A 39 39 THR HA H 39 4.322 4.677 -0.355 1
1 402 . 1 1 1 A 39 39 THR C C 39 174.966 175.403 -0.437 1
1 403 . 1 1 1 A 39 39 THR CA C 39 60.648 60.108 0.540 1
1 404 . 1 1 1 A 39 39 THR CB C 39 71.192 70.722 0.470 1
1 406 . 1 1 1 A 39 39 THR N N 39 111.373 116.878 -5.505 1
1 407 . 1 1 1 A 40 40 GLN H H 40 8.880 8.991 -0.111 1
1 408 . 1 1 1 A 40 40 GLN HA H 40 3.907 3.958 -0.051 1
1 414 . 1 1 1 A 40 40 GLN C C 40 177.855 177.800 0.055 1
1 415 . 1 1 1 A 40 40 GLN CA C 40 59.243 59.613 -0.370 1
1 416 . 1 1 1 A 40 40 GLN CB C 40 28.107 28.508 -0.401 1
1 418 . 1 1 1 A 40 40 GLN N N 40 120.143 126.410 -6.267 1
1 420 . 1 1 1 A 41 41 ALA H H 41 8.286 8.004 0.282 1
1 421 . 1 1 1 A 41 41 ALA HA H 41 4.212 4.079 0.133 1
1 425 . 1 1 1 A 41 41 ALA C C 41 180.741 179.053 1.688 1
1 426 . 1 1 1 A 41 41 ALA CA C 41 55.009 55.244 -0.235 1
1 427 . 1 1 1 A 41 41 ALA CB C 41 18.111 18.101 0.010 1
1 428 . 1 1 1 A 41 41 ALA N N 41 119.773 122.236 -2.463 1
1 429 . 1 1 1 A 42 42 GLU H H 42 7.772 8.222 -0.450 1
1 430 . 1 1 1 A 42 42 GLU HA H 42 4.673 4.009 0.664 1
1 435 . 1 1 1 A 42 42 GLU C C 42 178.478 178.691 -0.213 1
1 436 . 1 1 1 A 42 42 GLU CA C 42 57.730 59.590 -1.860 1
1 437 . 1 1 1 A 42 42 GLU CB C 42 28.610 29.453 -0.843 1
1 439 . 1 1 1 A 42 42 GLU N N 42 122.141 118.276 3.865 1
1 440 . 1 1 1 A 43 43 LEU H H 43 8.472 8.137 0.335 1
1 441 . 1 1 1 A 43 43 LEU HA H 43 3.924 3.838 0.086 1
1 451 . 1 1 1 A 43 43 LEU C C 43 179.842 178.609 1.233 1
1 452 . 1 1 1 A 43 43 LEU CA C 43 58.828 57.775 1.053 1
1 453 . 1 1 1 A 43 43 LEU CB C 43 41.540 41.370 0.170 1
1 457 . 1 1 1 A 43 43 LEU N N 43 121.542 120.614 0.928 1
1 458 . 1 1 1 A 44 44 ASP H H 44 8.384 8.121 0.263 1
1 459 . 1 1 1 A 44 44 ASP HA H 44 4.447 4.220 0.227 1
1 462 . 1 1 1 A 44 44 ASP C C 44 178.428 179.066 -0.638 1
1 463 . 1 1 1 A 44 44 ASP CA C 44 57.812 57.564 0.248 1
1 464 . 1 1 1 A 44 44 ASP CB C 44 40.226 41.138 -0.912 1
1 465 . 1 1 1 A 44 44 ASP N N 44 119.756 118.703 1.053 1
1 466 . 1 1 1 A 45 45 ARG H H 45 7.979 7.980 -0.001 1
1 467 . 1 1 1 A 45 45 ARG HA H 45 4.058 4.143 -0.085 1
1 475 . 1 1 1 A 45 45 ARG C C 45 179.249 178.986 0.263 1
1 476 . 1 1 1 A 45 45 ARG CA C 45 59.629 58.588 1.041 1
1 477 . 1 1 1 A 45 45 ARG CB C 45 30.553 29.559 0.994 1
1 480 . 1 1 1 A 45 45 ARG N N 45 123.029 120.057 2.972 1
1 482 . 1 1 1 A 46 46 LEU H H 46 8.943 8.287 0.656 1
1 483 . 1 1 1 A 46 46 LEU HA H 46 3.922 3.971 -0.049 1
1 493 . 1 1 1 A 46 46 LEU C C 46 180.973 178.689 2.284 1
1 494 . 1 1 1 A 46 46 LEU CA C 46 57.885 57.831 0.054 1
1 495 . 1 1 1 A 46 46 LEU CB C 46 42.943 41.362 1.581 1
1 499 . 1 1 1 A 46 46 LEU N N 46 118.282 119.808 -1.526 1
1 500 . 1 1 1 A 47 47 ARG H H 47 8.421 8.548 -0.127 1
1 501 . 1 1 1 A 47 47 ARG HA H 47 4.050 4.000 0.050 1
1 508 . 1 1 1 A 47 47 ARG C C 47 178.760 178.415 0.345 1
1 509 . 1 1 1 A 47 47 ARG CA C 47 60.366 59.474 0.892 1
1 510 . 1 1 1 A 47 47 ARG CB C 47 29.957 29.941 0.016 1
1 513 . 1 1 1 A 47 47 ARG N N 47 125.416 117.657 7.759 1
1 514 . 1 1 1 A 48 48 VAL H H 48 7.626 7.740 -0.114 1
1 515 . 1 1 1 A 48 48 VAL HA H 48 3.700 3.725 -0.025 1
1 523 . 1 1 1 A 48 48 VAL C C 48 178.628 177.692 0.936 1
1 524 . 1 1 1 A 48 48 VAL CA C 48 66.325 64.981 1.344 1
1 525 . 1 1 1 A 48 48 VAL CB C 48 31.902 31.333 0.569 1
1 528 . 1 1 1 A 48 48 VAL N N 48 119.769 119.842 -0.073 1
1 529 . 1 1 1 A 49 49 GLU H H 49 8.419 8.243 0.176 1
1 530 . 1 1 1 A 49 49 GLU HA H 49 4.202 4.011 0.191 1
1 534 . 1 1 1 A 49 49 GLU C C 49 178.866 179.101 -0.235 1
1 535 . 1 1 1 A 49 49 GLU CA C 49 59.062 59.239 -0.177 1
1 536 . 1 1 1 A 49 49 GLU CB C 49 30.950 29.462 1.488 1
1 538 . 1 1 1 A 49 49 GLU N N 49 116.074 121.209 -5.135 1
1 539 . 1 1 1 A 50 50 THR H H 50 8.436 8.234 0.202 1
1 540 . 1 1 1 A 50 50 THR HA H 50 4.335 4.241 0.094 1
1 545 . 1 1 1 A 50 50 THR C C 50 175.412 174.431 0.981 1
1 546 . 1 1 1 A 50 50 THR CA C 50 63.447 62.555 0.892 1
1 547 . 1 1 1 A 50 50 THR CB C 50 71.702 69.445 2.257 1
1 549 . 1 1 1 A 50 50 THR N N 50 105.198 110.817 -5.619 1
1 550 . 1 1 1 A 51 51 LYS H H 51 7.745 7.857 -0.112 1
1 551 . 1 1 1 A 51 51 LYS HA H 51 4.032 3.816 0.216 1
1 559 . 1 1 1 A 51 51 LYS C C 51 175.949 174.811 1.138 1
1 560 . 1 1 1 A 51 51 LYS CA C 51 58.428 57.370 1.058 1
1 561 . 1 1 1 A 51 51 LYS CB C 51 29.225 29.327 -0.102 1
1 565 . 1 1 1 A 51 51 LYS N N 51 114.904 116.732 -1.828 1
1 566 . 1 1 1 A 52 52 LEU H H 52 7.679 7.817 -0.138 1
1 567 . 1 1 1 A 52 52 LEU HA H 52 4.519 4.961 -0.442 1
1 577 . 1 1 1 A 52 52 LEU C C 52 176.301 175.588 0.713 1
1 578 . 1 1 1 A 52 52 LEU CA C 52 53.820 53.010 0.810 1
1 579 . 1 1 1 A 52 52 LEU CB C 52 43.987 45.379 -1.392 1
1 583 . 1 1 1 A 52 52 LEU N N 52 120.156 118.704 1.452 1
1 584 . 1 1 1 A 53 53 SER H H 53 8.599 8.787 -0.188 1
1 585 . 1 1 1 A 53 53 SER HA H 53 4.454 4.694 -0.240 1
1 588 . 1 1 1 A 53 53 SER C C 53 175.265 175.261 0.004 1
1 589 . 1 1 1 A 53 53 SER CA C 53 57.586 57.103 0.483 1
1 590 . 1 1 1 A 53 53 SER CB C 53 65.402 65.824 -0.422 1
1 591 . 1 1 1 A 53 53 SER N N 53 114.483 117.241 -2.758 1
1 592 . 1 1 1 A 54 54 ARG H H 54 9.030 8.970 0.060 1
1 593 . 1 1 1 A 54 54 ARG HA H 54 3.925 3.921 0.004 1
1 599 . 1 1 1 A 54 54 ARG C C 54 178.621 177.955 0.666 1
1 600 . 1 1 1 A 54 54 ARG CA C 54 59.660 60.121 -0.461 1
1 601 . 1 1 1 A 54 54 ARG CB C 54 29.594 30.021 -0.427 1
1 604 . 1 1 1 A 54 54 ARG N N 54 121.039 124.620 -3.581 1
1 605 . 1 1 1 A 55 55 ARG H H 55 8.472 8.129 0.343 1
1 606 . 1 1 1 A 55 55 ARG HA H 55 4.253 4.035 0.218 1
1 611 . 1 1 1 A 55 55 ARG C C 55 179.367 179.275 0.092 1
1 612 . 1 1 1 A 55 55 ARG CA C 55 59.387 59.565 -0.178 1
1 613 . 1 1 1 A 55 55 ARG CB C 55 30.068 30.114 -0.046 1
1 616 . 1 1 1 A 55 55 ARG N N 55 117.655 119.342 -1.687 1
1 617 . 1 1 1 A 56 56 GLU H H 56 7.849 8.265 -0.416 1
1 618 . 1 1 1 A 56 56 GLU HA H 56 3.909 4.002 -0.093 1
1 622 . 1 1 1 A 56 56 GLU C C 56 179.885 179.403 0.482 1
1 623 . 1 1 1 A 56 56 GLU CA C 56 59.421 59.331 0.090 1
1 624 . 1 1 1 A 56 56 GLU CB C 56 30.907 29.490 1.417 1
1 626 . 1 1 1 A 56 56 GLU N N 56 119.916 119.664 0.252 1
1 627 . 1 1 1 A 57 57 ILE H H 57 8.254 8.148 0.106 1
1 628 . 1 1 1 A 57 57 ILE HA H 57 3.732 3.731 0.001 1
1 638 . 1 1 1 A 57 57 ILE C C 57 177.586 177.705 -0.119 1
1 639 . 1 1 1 A 57 57 ILE CA C 57 66.553 65.871 0.682 1
1 640 . 1 1 1 A 57 57 ILE CB C 57 38.596 37.616 0.980 1
1 644 . 1 1 1 A 57 57 ILE N N 57 122.354 120.746 1.608 1
1 645 . 1 1 1 A 58 58 ASP H H 58 8.899 8.548 0.351 1
1 646 . 1 1 1 A 58 58 ASP HA H 58 4.621 4.328 0.293 1
1 649 . 1 1 1 A 58 58 ASP C C 58 180.161 178.631 1.530 1
1 650 . 1 1 1 A 58 58 ASP CA C 58 58.114 57.605 0.509 1
1 651 . 1 1 1 A 58 58 ASP CB C 58 40.817 40.758 0.059 1
1 652 . 1 1 1 A 58 58 ASP N N 58 121.029 121.466 -0.437 1
1 653 . 1 1 1 A 59 59 SER H H 59 8.321 7.887 0.434 1
1 654 . 1 1 1 A 59 59 SER HA H 59 4.371 4.200 0.171 1
1 656 . 1 1 1 A 59 59 SER C C 59 176.017 175.916 0.101 1
1 657 . 1 1 1 A 59 59 SER CA C 59 61.870 62.537 -0.667 1
1 658 . 1 1 1 A 59 59 SER CB C 59 63.076 63.016 0.060 1
1 659 . 1 1 1 A 59 59 SER N N 59 114.708 116.254 -1.546 1
1 660 . 1 1 1 A 60 60 TRP H H 60 8.209 8.225 -0.016 1
1 661 . 1 1 1 A 60 60 TRP HA H 60 4.019 4.363 -0.344 1
1 670 . 1 1 1 A 60 60 TRP C C 60 179.214 178.490 0.724 1
1 671 . 1 1 1 A 60 60 TRP CA C 60 62.981 61.314 1.667 1
1 672 . 1 1 1 A 60 60 TRP CB C 60 28.693 30.091 -1.398 1
1 678 . 1 1 1 A 60 60 TRP N N 60 123.289 124.027 -0.738 1
1 680 . 1 1 1 A 61 61 PHE H H 61 8.941 8.598 0.343 1
1 681 . 1 1 1 A 61 61 PHE HA H 61 3.798 4.404 -0.606 1
1 689 . 1 1 1 A 61 61 PHE C C 61 178.097 178.366 -0.269 1
1 690 . 1 1 1 A 61 61 PHE CA C 61 63.866 61.851 2.015 1
1 691 . 1 1 1 A 61 61 PHE CB C 61 39.642 38.778 0.864 1
1 697 . 1 1 1 A 61 61 PHE N N 61 118.838 118.145 0.693 1
1 698 . 1 1 1 A 62 62 SER H H 62 8.179 8.615 -0.436 1
1 699 . 1 1 1 A 62 62 SER HA H 62 4.134 4.199 -0.065 1
1 702 . 1 1 1 A 62 62 SER C C 62 177.996 176.646 1.350 1
1 703 . 1 1 1 A 62 62 SER CA C 62 62.064 62.328 -0.264 1
1 704 . 1 1 1 A 62 62 SER CB C 62 62.890 62.815 0.075 1
1 705 . 1 1 1 A 62 62 SER N N 62 113.145 115.545 -2.400 1
1 706 . 1 1 1 A 63 63 GLU H H 63 8.027 7.856 0.171 1
1 707 . 1 1 1 A 63 63 GLU HA H 63 3.910 4.127 -0.217 1
1 711 . 1 1 1 A 63 63 GLU C C 63 178.729 178.634 0.095 1
1 712 . 1 1 1 A 63 63 GLU CA C 63 58.637 59.005 -0.368 1
1 713 . 1 1 1 A 63 63 GLU CB C 63 29.188 29.473 -0.285 1
1 715 . 1 1 1 A 63 63 GLU N N 63 120.533 121.703 -1.170 1
1 716 . 1 1 1 A 64 64 ARG H H 64 8.166 8.155 0.011 1
1 717 . 1 1 1 A 64 64 ARG HA H 64 3.498 3.425 0.073 1
1 725 . 1 1 1 A 64 64 ARG C C 64 179.466 178.570 0.896 1
1 726 . 1 1 1 A 64 64 ARG CA C 64 56.502 58.752 -2.250 1
1 727 . 1 1 1 A 64 64 ARG CB C 64 28.148 28.978 -0.830 1
1 730 . 1 1 1 A 64 64 ARG N N 64 122.505 119.905 2.600 1
1 732 . 1 1 1 A 65 65 ARG H H 65 8.002 7.692 0.310 1
1 733 . 1 1 1 A 65 65 ARG HA H 65 4.086 4.273 -0.187 1
1 740 . 1 1 1 A 65 65 ARG C C 65 177.832 178.961 -1.129 1
1 741 . 1 1 1 A 65 65 ARG CA C 65 60.054 59.268 0.786 1
1 742 . 1 1 1 A 65 65 ARG CB C 65 31.425 30.188 1.237 1
1 745 . 1 1 1 A 65 65 ARG N N 65 117.887 118.648 -0.761 1
1 746 . 1 1 1 A 66 66 LYS H H 66 7.356 7.808 -0.452 1
1 747 . 1 1 1 A 66 66 LYS HA H 66 4.141 4.044 0.097 1
1 753 . 1 1 1 A 66 66 LYS C C 66 178.353 179.191 -0.838 1
1 754 . 1 1 1 A 66 66 LYS CA C 66 58.444 58.948 -0.504 1
1 755 . 1 1 1 A 66 66 LYS CB C 66 32.288 32.642 -0.354 1
1 759 . 1 1 1 A 66 66 LYS N N 66 118.479 119.520 -1.041 1
1 760 . 1 1 1 A 67 67 LEU H H 67 7.604 7.804 -0.200 1
1 761 . 1 1 1 A 67 67 LEU HA H 67 4.143 3.946 0.197 1
1 771 . 1 1 1 A 67 67 LEU C C 67 178.510 179.227 -0.717 1
1 772 . 1 1 1 A 67 67 LEU CA C 67 56.712 57.703 -0.991 1
1 773 . 1 1 1 A 67 67 LEU CB C 67 41.857 41.036 0.821 1
1 777 . 1 1 1 A 67 67 LEU N N 67 120.424 120.124 0.300 1
1 778 . 1 1 1 A 68 68 ARG H H 68 7.914 8.171 -0.257 1
1 779 . 1 1 1 A 68 68 ARG HA H 68 4.262 4.085 0.177 1
1 786 . 1 1 1 A 68 68 ARG C C 68 177.396 178.529 -1.133 1
1 787 . 1 1 1 A 68 68 ARG CA C 68 57.589 59.577 -1.988 1
1 788 . 1 1 1 A 68 68 ARG CB C 68 30.211 30.005 0.206 1
1 791 . 1 1 1 A 68 68 ARG N N 68 120.638 119.535 1.103 1
1 792 . 1 1 1 A 69 69 ASP H H 69 8.337 8.410 -0.073 1
1 793 . 1 1 1 A 69 69 ASP HA H 69 4.592 4.364 0.228 1
1 796 . 1 1 1 A 69 69 ASP C C 69 176.826 176.236 0.590 1
1 797 . 1 1 1 A 69 69 ASP CA C 69 55.527 57.427 -1.900 1
1 798 . 1 1 1 A 69 69 ASP CB C 69 40.833 40.865 -0.032 1
1 799 . 1 1 1 A 69 69 ASP N N 69 119.845 120.099 -0.254 1
1 800 . 1 1 1 A 70 70 SER H H 70 8.002 7.729 0.273 1
1 801 . 1 1 1 A 70 70 SER HA H 70 4.473 4.052 0.421 1
1 804 . 1 1 1 A 70 70 SER C C 70 174.524 174.201 0.323 1
1 805 . 1 1 1 A 70 70 SER CA C 70 59.070 59.512 -0.442 1
1 806 . 1 1 1 A 70 70 SER CB C 70 63.887 61.309 2.578 1
1 807 . 1 1 1 A 70 70 SER N N 70 114.740 112.391 2.349 1
1 808 . 1 1 1 A 71 71 MET H H 71 8.117 8.456 -0.339 1
1 809 . 1 1 1 A 71 71 MET HA H 71 4.559 4.164 0.395 1
1 817 . 1 1 1 A 71 71 MET C C 71 175.392 175.527 -0.135 1
1 818 . 1 1 1 A 71 71 MET CA C 71 55.711 56.185 -0.474 1
1 819 . 1 1 1 A 71 71 MET CB C 71 33.246 31.388 1.858 1
1 822 . 1 1 1 A 71 71 MET N N 71 121.694 116.672 5.022 1
1 823 . 1 1 1 A 72 72 GLU HA H 72 4.245 4.730 -0.485 1
1 827 . 1 1 1 A 72 72 GLU C C 72 177.767 175.790 1.977 1
1 828 . 1 1 1 A 72 72 GLU CA C 72 57.871 55.120 2.751 1
1 829 . 1 1 1 A 72 72 GLU CB C 72 29.798 31.724 -1.926 1
1 831 . 1 1 1 A 73 73 GLN H H 73 8.210 8.509 -0.299 1
1 832 . 1 1 1 A 73 73 GLN HA H 73 4.177 4.487 -0.310 1
1 836 . 1 1 1 A 73 73 GLN C C 73 176.422 175.381 1.041 1
1 837 . 1 1 1 A 73 73 GLN CA C 73 56.899 56.076 0.823 1
1 838 . 1 1 1 A 73 73 GLN CB C 73 28.852 29.061 -0.209 1
1 840 . 1 1 1 A 73 73 GLN N N 73 120.076 122.421 -2.345 1
1 841 . 1 1 1 A 74 74 ALA H H 74 8.099 8.505 -0.406 1
1 842 . 1 1 1 A 74 74 ALA HA H 74 4.239 4.892 -0.653 1
1 846 . 1 1 1 A 74 74 ALA C C 74 178.960 175.476 3.484 1
1 847 . 1 1 1 A 74 74 ALA CA C 74 53.837 51.522 2.315 1
1 848 . 1 1 1 A 74 74 ALA CB C 74 18.794 22.950 -4.156 1
1 849 . 1 1 1 A 74 74 ALA N N 74 123.168 126.722 -3.554 1
1 850 . 1 1 1 A 75 75 VAL H H 75 7.886 8.457 -0.571 1
1 851 . 1 1 1 A 75 75 VAL HA H 75 3.985 4.216 -0.231 1
1 859 . 1 1 1 A 75 75 VAL C C 75 177.376 175.334 2.042 1
1 860 . 1 1 1 A 75 75 VAL CA C 75 63.895 62.795 1.100 1
1 861 . 1 1 1 A 75 75 VAL CB C 75 32.450 32.319 0.131 1
1 864 . 1 1 1 A 75 75 VAL N N 75 119.018 124.134 -5.116 1
1 865 . 1 1 1 A 76 76 LEU H H 76 8.074 8.747 -0.673 1
1 866 . 1 1 1 A 76 76 LEU HA H 76 4.291 4.929 -0.638 1
1 876 . 1 1 1 A 76 76 LEU C C 76 178.363 174.419 3.944 1
1 877 . 1 1 1 A 76 76 LEU CA C 76 56.247 53.727 2.520 1
1 878 . 1 1 1 A 76 76 LEU CB C 76 42.342 45.373 -3.031 1
1 882 . 1 1 1 A 76 76 LEU N N 76 124.324 124.089 0.235 1
1 883 . 1 1 1 A 77 77 ASP H H 77 8.443 8.659 -0.216 1
1 884 . 1 1 1 A 77 77 ASP HA H 77 4.593 4.705 -0.112 1
1 887 . 1 1 1 A 77 77 ASP C C 77 177.224 174.652 2.572 1
1 888 . 1 1 1 A 77 77 ASP CA C 77 55.364 53.148 2.216 1
1 889 . 1 1 1 A 77 77 ASP CB C 77 40.970 41.978 -1.008 1
1 890 . 1 1 1 A 77 77 ASP N N 77 120.595 121.792 -1.197 1
1 891 . 1 1 1 A 78 78 SER H H 78 8.121 8.787 -0.666 1
1 892 . 1 1 1 A 78 78 SER HA H 78 4.421 5.267 -0.846 1
1 894 . 1 1 1 A 78 78 SER C C 78 175.244 172.851 2.393 1
1 895 . 1 1 1 A 78 78 SER CA C 78 58.809 56.632 2.177 1
1 896 . 1 1 1 A 78 78 SER CB C 78 63.674 65.673 -1.999 1
1 897 . 1 1 1 A 78 78 SER N N 78 115.700 117.467 -1.767 1
1 898 . 1 1 1 A 79 79 MET H H 79 8.202 8.755 -0.553 1
1 899 . 1 1 1 A 79 79 MET HA H 79 4.525 4.936 -0.411 1
1 903 . 1 1 1 A 79 79 MET C C 79 177.199 174.653 2.546 1
1 904 . 1 1 1 A 79 79 MET CA C 79 56.010 54.490 1.520 1
1 905 . 1 1 1 A 79 79 MET CB C 79 32.610 35.689 -3.079 1
1 907 . 1 1 1 A 79 79 MET N N 79 121.204 126.148 -4.944 1
1 908 . 1 1 1 A 80 80 GLY H H 80 8.268 8.448 -0.180 1
1 909 . 1 1 1 A 80 80 GLY C C 80 174.529 171.766 2.763 1
1 910 . 1 1 1 A 80 80 GLY CA C 80 45.637 45.712 -0.075 1
1 911 . 1 1 1 A 80 80 GLY N N 80 109.108 109.994 -0.886 1
1 912 . 1 1 1 A 81 81 SER HA H 81 4.478 5.467 -0.989 1
1 915 . 1 1 1 A 81 81 SER C C 81 175.336 173.221 2.115 1
1 916 . 1 1 1 A 81 81 SER CA C 81 58.701 57.517 1.184 1
1 917 . 1 1 1 A 81 81 SER CB C 81 63.977 67.198 -3.221 1
1 918 . 1 1 1 A 82 82 GLY H H 82 8.526 8.564 -0.038 1
1 919 . 1 1 1 A 82 82 GLY HA2 H 82 4.018 4.274 -0.256 1
1 920 . 1 1 1 A 82 82 GLY HA3 H 82 4.018 4.275 -0.257 1
1 921 . 1 1 1 A 82 82 GLY C C 82 174.290 172.626 1.664 1
1 922 . 1 1 1 A 82 82 GLY CA C 82 45.485 44.788 0.697 1
1 923 . 1 1 1 A 82 82 GLY N N 82 110.928 109.278 1.650 1
1 924 . 1 1 1 A 83 83 LYS H H 83 8.159 8.891 -0.732 1
1 925 . 1 1 1 A 83 83 LYS C C 83 176.692 175.061 1.631 1
1 926 . 1 1 1 A 83 83 LYS CA C 83 56.216 54.696 1.520 1
1 927 . 1 1 1 A 83 83 LYS CB C 83 33.201 35.911 -2.710 1
1 928 . 1 1 1 A 83 83 LYS N N 83 120.759 123.205 -2.446 1
1 929 . 1 1 1 A 88 88 SER HA H 88 4.509 4.126 0.383 1
1 932 . 1 1 1 A 88 88 SER C C 88 173.946 173.827 0.119 1
1 933 . 1 1 1 A 88 88 SER CA C 88 58.432 59.097 -0.665 1
1 934 . 1 1 1 A 88 88 SER CB C 88 64.208 62.130 2.078 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.940 4.041 -0.101 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.940 4.051 -0.111 1
1 3 . 2 1 1 A 7 7 GLY C C 7 173.532 171.528 2.004 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.255 45.644 -0.389 1
1 5 . 2 1 1 A 8 8 ALA H H 8 8.010 8.878 -0.868 1
1 6 . 2 1 1 A 8 8 ALA HA H 8 4.259 4.893 -0.634 1
1 10 . 2 1 1 A 8 8 ALA C C 8 176.987 175.223 1.764 1
1 11 . 2 1 1 A 8 8 ALA CA C 8 52.334 50.047 2.287 1
1 12 . 2 1 1 A 8 8 ALA CB C 8 19.389 22.573 -3.184 1
1 13 . 2 1 1 A 8 8 ALA N N 8 123.317 127.468 -4.151 1
1 14 . 2 1 1 A 9 9 TYR H H 9 8.110 8.435 -0.325 1
1 15 . 2 1 1 A 9 9 TYR HA H 9 4.832 4.950 -0.118 1
1 22 . 2 1 1 A 9 9 TYR C C 9 174.112 173.722 0.390 1
1 23 . 2 1 1 A 9 9 TYR CA C 9 55.642 55.927 -0.285 1
1 24 . 2 1 1 A 9 9 TYR CB C 9 38.292 39.490 -1.198 1
1 29 . 2 1 1 A 9 9 TYR N N 9 120.065 117.876 2.189 1
1 30 . 2 1 1 A 10 10 PRO HA H 10 4.377 4.532 -0.155 1
1 36 . 2 1 1 A 10 10 PRO C C 10 176.388 175.433 0.955 1
1 37 . 2 1 1 A 10 10 PRO CA C 10 63.332 63.114 0.218 1
1 38 . 2 1 1 A 10 10 PRO CB C 10 31.985 32.209 -0.224 1
1 41 . 2 1 1 A 11 11 ASP H H 11 8.249 8.568 -0.319 1
1 42 . 2 1 1 A 11 11 ASP HA H 11 4.537 4.968 -0.431 1
1 45 . 2 1 1 A 11 11 ASP C C 11 175.893 175.347 0.546 1
1 46 . 2 1 1 A 11 11 ASP CA C 11 54.410 53.341 1.069 1
1 47 . 2 1 1 A 11 11 ASP CB C 11 41.149 42.265 -1.116 1
1 48 . 2 1 1 A 11 11 ASP N N 11 119.884 121.143 -1.259 1
1 49 . 2 1 1 A 12 12 PHE H H 12 8.028 8.856 -0.828 1
1 50 . 2 1 1 A 12 12 PHE HA H 12 4.616 4.878 -0.262 1
1 55 . 2 1 1 A 12 12 PHE C C 12 175.001 175.770 -0.769 1
1 56 . 2 1 1 A 12 12 PHE CA C 12 57.417 58.160 -0.743 1
1 57 . 2 1 1 A 12 12 PHE CB C 12 39.577 39.562 0.015 1
1 60 . 2 1 1 A 12 12 PHE N N 12 119.972 122.495 -2.523 1
1 61 . 2 1 1 A 13 13 ALA H H 13 8.118 8.887 -0.769 1
1 62 . 2 1 1 A 13 13 ALA HA H 13 4.570 4.811 -0.241 1
1 66 . 2 1 1 A 13 13 ALA C C 13 175.002 174.638 0.364 1
1 67 . 2 1 1 A 13 13 ALA CA C 13 50.500 50.038 0.462 1
1 68 . 2 1 1 A 13 13 ALA CB C 13 18.532 21.930 -3.398 1
1 69 . 2 1 1 A 13 13 ALA N N 13 126.968 125.531 1.437 1
1 70 . 2 1 1 A 14 14 PRO HA H 14 4.349 4.617 -0.268 1
1 76 . 2 1 1 A 14 14 PRO C C 14 177.054 176.046 1.008 1
1 77 . 2 1 1 A 14 14 PRO CA C 14 63.380 62.345 1.035 1
1 78 . 2 1 1 A 14 14 PRO CB C 14 31.960 33.139 -1.179 1
1 81 . 2 1 1 A 15 15 GLN H H 15 8.411 8.473 -0.062 1
1 82 . 2 1 1 A 15 15 GLN HA H 15 4.221 5.241 -1.020 1
1 88 . 2 1 1 A 15 15 GLN C C 15 175.815 175.057 0.758 1
1 89 . 2 1 1 A 15 15 GLN CA C 15 55.929 54.046 1.883 1
1 90 . 2 1 1 A 15 15 GLN CB C 15 29.270 31.264 -1.994 1
1 92 . 2 1 1 A 15 15 GLN N N 15 120.172 117.285 2.887 1
1 94 . 2 1 1 A 16 16 LYS H H 16 8.171 8.659 -0.488 1
1 95 . 2 1 1 A 16 16 LYS HA H 16 4.234 4.891 -0.657 1
1 102 . 2 1 1 A 16 16 LYS C C 16 176.196 174.792 1.404 1
1 103 . 2 1 1 A 16 16 LYS CA C 16 56.236 54.820 1.416 1
1 104 . 2 1 1 A 16 16 LYS CB C 16 33.171 36.576 -3.405 1
1 108 . 2 1 1 A 16 16 LYS N N 16 122.238 123.986 -1.748 1
1 109 . 2 1 1 A 17 17 PHE H H 17 8.257 8.967 -0.710 1
1 110 . 2 1 1 A 17 17 PHE HA H 17 4.715 4.821 -0.106 1
1 117 . 2 1 1 A 17 17 PHE C C 17 175.737 174.514 1.223 1
1 118 . 2 1 1 A 17 17 PHE CA C 17 57.341 58.508 -1.167 1
1 119 . 2 1 1 A 17 17 PHE CB C 17 39.776 40.282 -0.506 1
1 124 . 2 1 1 A 17 17 PHE N N 17 121.572 123.626 -2.054 1
1 125 . 2 1 1 A 18 18 LYS H H 18 8.411 8.152 0.259 1
1 126 . 2 1 1 A 18 18 LYS HA H 18 4.285 4.461 -0.176 1
1 132 . 2 1 1 A 18 18 LYS C C 18 176.317 174.805 1.512 1
1 133 . 2 1 1 A 18 18 LYS CA C 18 56.146 54.549 1.597 1
1 134 . 2 1 1 A 18 18 LYS CB C 18 33.269 34.084 -0.815 1
1 138 . 2 1 1 A 18 18 LYS N N 18 123.072 126.444 -3.372 1
1 139 . 2 1 1 A 19 19 GLU H H 19 8.494 8.370 0.124 1
1 140 . 2 1 1 A 19 19 GLU HA H 19 4.243 4.197 0.046 1
1 144 . 2 1 1 A 19 19 GLU C C 19 176.811 176.615 0.196 1
1 145 . 2 1 1 A 19 19 GLU CA C 19 56.916 56.161 0.755 1
1 146 . 2 1 1 A 19 19 GLU CB C 19 30.158 30.358 -0.200 1
1 148 . 2 1 1 A 19 19 GLU N N 19 123.032 125.514 -2.482 1
1 149 . 2 1 1 A 20 20 LYS H H 20 8.530 8.639 -0.109 1
1 150 . 2 1 1 A 20 20 LYS HA H 20 4.560 4.518 0.042 1
1 159 . 2 1 1 A 20 20 LYS C C 20 177.491 176.811 0.680 1
1 160 . 2 1 1 A 20 20 LYS CA C 20 56.105 56.258 -0.153 1
1 161 . 2 1 1 A 20 20 LYS CB C 20 34.248 33.622 0.626 1
1 165 . 2 1 1 A 20 20 LYS N N 20 123.545 124.055 -0.510 1
1 166 . 2 1 1 A 21 21 THR H H 21 8.868 8.230 0.638 1
1 167 . 2 1 1 A 21 21 THR HA H 21 4.448 4.867 -0.419 1
1 172 . 2 1 1 A 21 21 THR C C 21 175.491 176.343 -0.852 1
1 173 . 2 1 1 A 21 21 THR CA C 21 60.686 59.492 1.194 1
1 174 . 2 1 1 A 21 21 THR CB C 21 70.760 72.103 -1.343 1
1 176 . 2 1 1 A 21 21 THR N N 21 113.437 111.800 1.637 1
1 177 . 2 1 1 A 22 22 GLN H H 22 8.993 9.021 -0.028 1
1 178 . 2 1 1 A 22 22 GLN HA H 22 4.055 3.971 0.084 1
1 183 . 2 1 1 A 22 22 GLN C C 22 178.882 179.097 -0.215 1
1 184 . 2 1 1 A 22 22 GLN CA C 22 58.899 58.846 0.053 1
1 185 . 2 1 1 A 22 22 GLN CB C 22 28.366 28.441 -0.075 1
1 187 . 2 1 1 A 22 22 GLN N N 22 120.458 121.240 -0.782 1
1 188 . 2 1 1 A 23 23 GLY H H 23 8.580 8.437 0.143 1
1 189 . 2 1 1 A 23 23 GLY HA2 H 23 3.843 3.725 0.118 1
1 190 . 2 1 1 A 23 23 GLY HA3 H 23 3.843 3.726 0.117 1
1 191 . 2 1 1 A 23 23 GLY C C 23 176.518 175.882 0.636 1
1 192 . 2 1 1 A 23 23 GLY CA C 23 46.750 47.371 -0.621 1
1 193 . 2 1 1 A 23 23 GLY N N 23 107.047 109.635 -2.588 1
1 194 . 2 1 1 A 24 24 GLN H H 24 7.771 7.967 -0.196 1
1 195 . 2 1 1 A 24 24 GLN HA H 24 3.844 3.930 -0.086 1
1 202 . 2 1 1 A 24 24 GLN C C 24 177.564 178.278 -0.714 1
1 203 . 2 1 1 A 24 24 GLN CA C 24 59.397 58.806 0.591 1
1 204 . 2 1 1 A 24 24 GLN CB C 24 29.250 28.453 0.797 1
1 206 . 2 1 1 A 24 24 GLN N N 24 120.555 120.971 -0.416 1
1 208 . 2 1 1 A 25 25 VAL H H 25 8.029 7.893 0.136 1
1 209 . 2 1 1 A 25 25 VAL HA H 25 3.163 3.343 -0.180 1
1 217 . 2 1 1 A 25 25 VAL C C 25 176.630 177.555 -0.925 1
1 218 . 2 1 1 A 25 25 VAL CA C 25 66.856 66.920 -0.064 1
1 219 . 2 1 1 A 25 25 VAL CB C 25 31.543 31.411 0.132 1
1 222 . 2 1 1 A 25 25 VAL N N 25 117.187 120.275 -3.088 1
1 223 . 2 1 1 A 26 26 LYS H H 26 7.924 8.427 -0.503 1
1 224 . 2 1 1 A 26 26 LYS HA H 26 3.995 3.987 0.008 1
1 230 . 2 1 1 A 26 26 LYS C C 26 178.199 178.618 -0.419 1
1 231 . 2 1 1 A 26 26 LYS CA C 26 59.506 59.920 -0.414 1
1 232 . 2 1 1 A 26 26 LYS CB C 26 32.209 31.914 0.295 1
1 236 . 2 1 1 A 26 26 LYS N N 26 119.341 120.127 -0.786 1
1 237 . 2 1 1 A 27 27 ILE H H 27 7.033 7.682 -0.649 1
1 238 . 2 1 1 A 27 27 ILE HA H 27 3.706 3.610 0.096 1
1 248 . 2 1 1 A 27 27 ILE C C 27 179.280 178.749 0.531 1
1 249 . 2 1 1 A 27 27 ILE CA C 27 64.803 65.382 -0.579 1
1 250 . 2 1 1 A 27 27 ILE CB C 27 38.361 37.438 0.923 1
1 254 . 2 1 1 A 27 27 ILE N N 27 117.901 119.693 -1.792 1
1 255 . 2 1 1 A 28 28 LEU H H 28 7.400 7.660 -0.260 1
1 256 . 2 1 1 A 28 28 LEU HA H 28 3.563 3.805 -0.242 1
1 266 . 2 1 1 A 28 28 LEU C C 28 177.369 178.464 -1.095 1
1 267 . 2 1 1 A 28 28 LEU CA C 28 58.256 58.060 0.196 1
1 268 . 2 1 1 A 28 28 LEU CB C 28 37.957 41.006 -3.049 1
1 272 . 2 1 1 A 28 28 LEU N N 28 121.290 119.809 1.481 1
1 273 . 2 1 1 A 29 29 GLU H H 29 8.880 8.502 0.378 1
1 274 . 2 1 1 A 29 29 GLU HA H 29 4.327 4.038 0.289 1
1 278 . 2 1 1 A 29 29 GLU C C 29 179.216 178.614 0.602 1
1 279 . 2 1 1 A 29 29 GLU CA C 29 59.430 59.814 -0.384 1
1 280 . 2 1 1 A 29 29 GLU CB C 29 29.276 29.255 0.021 1
1 282 . 2 1 1 A 29 29 GLU N N 29 120.487 116.808 3.679 1
1 283 . 2 1 1 A 30 30 ASP H H 30 8.313 8.217 0.096 1
1 284 . 2 1 1 A 30 30 ASP HA H 30 4.422 4.362 0.060 1
1 287 . 2 1 1 A 30 30 ASP C C 30 179.036 178.644 0.392 1
1 288 . 2 1 1 A 30 30 ASP CA C 30 57.388 57.577 -0.189 1
1 289 . 2 1 1 A 30 30 ASP CB C 30 40.547 42.060 -1.513 1
1 290 . 2 1 1 A 30 30 ASP N N 30 118.471 120.110 -1.639 1
1 291 . 2 1 1 A 31 31 SER H H 31 7.406 8.042 -0.636 1
1 292 . 2 1 1 A 31 31 SER HA H 31 4.290 4.111 0.179 1
1 295 . 2 1 1 A 31 31 SER C C 31 177.290 175.959 1.331 1
1 296 . 2 1 1 A 31 31 SER CA C 31 61.575 62.401 -0.826 1
1 297 . 2 1 1 A 31 31 SER CB C 31 63.167 63.187 -0.020 1
1 298 . 2 1 1 A 31 31 SER N N 31 113.187 116.536 -3.349 1
1 299 . 2 1 1 A 32 32 PHE H H 32 9.117 8.634 0.483 1
1 300 . 2 1 1 A 32 32 PHE HA H 32 4.369 4.086 0.283 1
1 308 . 2 1 1 A 32 32 PHE C C 32 176.545 177.151 -0.606 1
1 309 . 2 1 1 A 32 32 PHE CA C 32 61.569 61.699 -0.130 1
1 310 . 2 1 1 A 32 32 PHE CB C 32 39.362 38.935 0.427 1
1 316 . 2 1 1 A 32 32 PHE N N 32 121.840 122.526 -0.686 1
1 317 . 2 1 1 A 33 33 LEU H H 33 8.235 8.827 -0.592 1
1 318 . 2 1 1 A 33 33 LEU HA H 33 3.965 3.979 -0.014 1
1 328 . 2 1 1 A 33 33 LEU C C 33 179.575 179.175 0.400 1
1 329 . 2 1 1 A 33 33 LEU CA C 33 56.998 58.309 -1.311 1
1 330 . 2 1 1 A 33 33 LEU CB C 33 42.053 41.787 0.266 1
1 334 . 2 1 1 A 33 33 LEU N N 33 115.363 119.961 -4.598 1
1 335 . 2 1 1 A 34 34 LYS H H 34 7.509 7.730 -0.221 1
1 336 . 2 1 1 A 34 34 LYS HA H 34 4.174 4.155 0.019 1
1 343 . 2 1 1 A 34 34 LYS C C 34 178.190 176.662 1.528 1
1 344 . 2 1 1 A 34 34 LYS CA C 34 58.819 58.291 0.528 1
1 345 . 2 1 1 A 34 34 LYS CB C 34 32.352 33.019 -0.667 1
1 349 . 2 1 1 A 34 34 LYS N N 34 119.688 117.082 2.606 1
1 350 . 2 1 1 A 35 35 SER H H 35 8.130 8.143 -0.013 1
1 351 . 2 1 1 A 35 35 SER HA H 35 4.379 4.641 -0.262 1
1 354 . 2 1 1 A 35 35 SER C C 35 174.000 174.498 -0.498 1
1 355 . 2 1 1 A 35 35 SER CA C 35 58.202 56.549 1.653 1
1 356 . 2 1 1 A 35 35 SER CB C 35 64.375 65.462 -1.087 1
1 357 . 2 1 1 A 35 35 SER N N 35 112.275 112.716 -0.441 1
1 358 . 2 1 1 A 36 36 SER H H 36 8.404 8.498 -0.094 1
1 359 . 2 1 1 A 36 36 SER HA H 36 3.952 3.021 0.931 1
1 362 . 2 1 1 A 36 36 SER C C 36 172.467 174.652 -2.185 1
1 363 . 2 1 1 A 36 36 SER CA C 36 59.127 61.311 -2.184 1
1 364 . 2 1 1 A 36 36 SER CB C 36 63.788 61.969 1.819 1
1 365 . 2 1 1 A 36 36 SER N N 36 121.307 118.691 2.616 1
1 366 . 2 1 1 A 37 37 PHE H H 37 7.735 7.555 0.180 1
1 367 . 2 1 1 A 37 37 PHE HA H 37 4.859 5.026 -0.167 1
1 375 . 2 1 1 A 37 37 PHE C C 37 172.549 174.071 -1.522 1
1 376 . 2 1 1 A 37 37 PHE CA C 37 55.604 55.386 0.218 1
1 377 . 2 1 1 A 37 37 PHE CB C 37 39.842 38.926 0.916 1
1 383 . 2 1 1 A 37 37 PHE N N 37 118.373 119.863 -1.490 1
1 384 . 2 1 1 A 38 38 PRO HA H 38 4.391 4.696 -0.305 1
1 391 . 2 1 1 A 38 38 PRO C C 38 177.660 175.604 2.056 1
1 392 . 2 1 1 A 38 38 PRO CA C 38 62.193 62.486 -0.293 1
1 393 . 2 1 1 A 38 38 PRO CB C 38 31.490 33.086 -1.596 1
1 396 . 2 1 1 A 39 39 THR H H 39 7.809 8.512 -0.703 1
1 397 . 2 1 1 A 39 39 THR HA H 39 4.322 4.812 -0.490 1
1 402 . 2 1 1 A 39 39 THR C C 39 174.966 175.108 -0.142 1
1 403 . 2 1 1 A 39 39 THR CA C 39 60.648 59.658 0.990 1
1 404 . 2 1 1 A 39 39 THR CB C 39 71.192 71.023 0.169 1
1 406 . 2 1 1 A 39 39 THR N N 39 111.373 116.419 -5.046 1
1 407 . 2 1 1 A 40 40 GLN H H 40 8.880 9.112 -0.232 1
1 408 . 2 1 1 A 40 40 GLN HA H 40 3.907 3.959 -0.052 1
1 414 . 2 1 1 A 40 40 GLN C C 40 177.855 178.274 -0.419 1
1 415 . 2 1 1 A 40 40 GLN CA C 40 59.243 59.439 -0.196 1
1 416 . 2 1 1 A 40 40 GLN CB C 40 28.107 28.310 -0.203 1
1 418 . 2 1 1 A 40 40 GLN N N 40 120.143 126.441 -6.298 1
1 420 . 2 1 1 A 41 41 ALA H H 41 8.286 8.179 0.107 1
1 421 . 2 1 1 A 41 41 ALA HA H 41 4.212 4.004 0.208 1
1 425 . 2 1 1 A 41 41 ALA C C 41 180.741 179.243 1.498 1
1 426 . 2 1 1 A 41 41 ALA CA C 41 55.009 55.434 -0.425 1
1 427 . 2 1 1 A 41 41 ALA CB C 41 18.111 18.262 -0.151 1
1 428 . 2 1 1 A 41 41 ALA N N 41 119.773 122.506 -2.733 1
1 429 . 2 1 1 A 42 42 GLU H H 42 7.772 8.091 -0.319 1
1 430 . 2 1 1 A 42 42 GLU HA H 42 4.673 4.023 0.650 1
1 435 . 2 1 1 A 42 42 GLU C C 42 178.478 178.520 -0.042 1
1 436 . 2 1 1 A 42 42 GLU CA C 42 57.730 59.415 -1.685 1
1 437 . 2 1 1 A 42 42 GLU CB C 42 28.610 29.494 -0.884 1
1 439 . 2 1 1 A 42 42 GLU N N 42 122.141 118.392 3.749 1
1 440 . 2 1 1 A 43 43 LEU H H 43 8.472 8.331 0.141 1
1 441 . 2 1 1 A 43 43 LEU HA H 43 3.924 3.859 0.065 1
1 451 . 2 1 1 A 43 43 LEU C C 43 179.842 178.630 1.212 1
1 452 . 2 1 1 A 43 43 LEU CA C 43 58.828 57.681 1.147 1
1 453 . 2 1 1 A 43 43 LEU CB C 43 41.540 41.634 -0.094 1
1 457 . 2 1 1 A 43 43 LEU N N 43 121.542 120.539 1.003 1
1 458 . 2 1 1 A 44 44 ASP H H 44 8.384 7.880 0.504 1
1 459 . 2 1 1 A 44 44 ASP HA H 44 4.447 4.244 0.203 1
1 462 . 2 1 1 A 44 44 ASP C C 44 178.428 178.810 -0.382 1
1 463 . 2 1 1 A 44 44 ASP CA C 44 57.812 57.526 0.286 1
1 464 . 2 1 1 A 44 44 ASP CB C 44 40.226 41.022 -0.796 1
1 465 . 2 1 1 A 44 44 ASP N N 44 119.756 118.433 1.323 1
1 466 . 2 1 1 A 45 45 ARG H H 45 7.979 8.095 -0.116 1
1 467 . 2 1 1 A 45 45 ARG HA H 45 4.058 4.165 -0.107 1
1 475 . 2 1 1 A 45 45 ARG C C 45 179.249 178.760 0.489 1
1 476 . 2 1 1 A 45 45 ARG CA C 45 59.629 58.387 1.242 1
1 477 . 2 1 1 A 45 45 ARG CB C 45 30.553 29.911 0.642 1
1 480 . 2 1 1 A 45 45 ARG N N 45 123.029 120.198 2.831 1
1 482 . 2 1 1 A 46 46 LEU H H 46 8.943 8.407 0.536 1
1 483 . 2 1 1 A 46 46 LEU HA H 46 3.922 3.880 0.042 1
1 493 . 2 1 1 A 46 46 LEU C C 46 180.973 178.979 1.994 1
1 494 . 2 1 1 A 46 46 LEU CA C 46 57.885 57.555 0.330 1
1 495 . 2 1 1 A 46 46 LEU CB C 46 42.943 41.552 1.391 1
1 499 . 2 1 1 A 46 46 LEU N N 46 118.282 119.629 -1.347 1
1 500 . 2 1 1 A 47 47 ARG H H 47 8.421 8.594 -0.173 1
1 501 . 2 1 1 A 47 47 ARG HA H 47 4.050 3.964 0.086 1
1 508 . 2 1 1 A 47 47 ARG C C 47 178.760 178.387 0.373 1
1 509 . 2 1 1 A 47 47 ARG CA C 47 60.366 59.211 1.155 1
1 510 . 2 1 1 A 47 47 ARG CB C 47 29.957 29.994 -0.037 1
1 513 . 2 1 1 A 47 47 ARG N N 47 125.416 117.632 7.784 1
1 514 . 2 1 1 A 48 48 VAL H H 48 7.626 7.666 -0.040 1
1 515 . 2 1 1 A 48 48 VAL HA H 48 3.700 3.731 -0.031 1
1 523 . 2 1 1 A 48 48 VAL C C 48 178.628 177.696 0.932 1
1 524 . 2 1 1 A 48 48 VAL CA C 48 66.325 64.961 1.364 1
1 525 . 2 1 1 A 48 48 VAL CB C 48 31.902 31.253 0.649 1
1 528 . 2 1 1 A 48 48 VAL N N 48 119.769 119.674 0.095 1
1 529 . 2 1 1 A 49 49 GLU H H 49 8.419 8.752 -0.333 1
1 530 . 2 1 1 A 49 49 GLU HA H 49 4.202 4.008 0.194 1
1 534 . 2 1 1 A 49 49 GLU C C 49 178.866 178.731 0.135 1
1 535 . 2 1 1 A 49 49 GLU CA C 49 59.062 59.342 -0.280 1
1 536 . 2 1 1 A 49 49 GLU CB C 49 30.950 29.469 1.481 1
1 538 . 2 1 1 A 49 49 GLU N N 49 116.074 121.448 -5.374 1
1 539 . 2 1 1 A 50 50 THR H H 50 8.436 8.249 0.187 1
1 540 . 2 1 1 A 50 50 THR HA H 50 4.335 4.241 0.094 1
1 545 . 2 1 1 A 50 50 THR C C 50 175.412 174.264 1.148 1
1 546 . 2 1 1 A 50 50 THR CA C 50 63.447 62.453 0.994 1
1 547 . 2 1 1 A 50 50 THR CB C 50 71.702 69.382 2.320 1
1 549 . 2 1 1 A 50 50 THR N N 50 105.198 110.468 -5.270 1
1 550 . 2 1 1 A 51 51 LYS H H 51 7.745 7.892 -0.147 1
1 551 . 2 1 1 A 51 51 LYS HA H 51 4.032 3.770 0.262 1
1 559 . 2 1 1 A 51 51 LYS C C 51 175.949 174.706 1.243 1
1 560 . 2 1 1 A 51 51 LYS CA C 51 58.428 57.323 1.105 1
1 561 . 2 1 1 A 51 51 LYS CB C 51 29.225 29.224 0.001 1
1 565 . 2 1 1 A 51 51 LYS N N 51 114.904 116.848 -1.944 1
1 566 . 2 1 1 A 52 52 LEU H H 52 7.679 7.798 -0.119 1
1 567 . 2 1 1 A 52 52 LEU HA H 52 4.519 4.890 -0.371 1
1 577 . 2 1 1 A 52 52 LEU C C 52 176.301 176.087 0.214 1
1 578 . 2 1 1 A 52 52 LEU CA C 52 53.820 53.065 0.755 1
1 579 . 2 1 1 A 52 52 LEU CB C 52 43.987 46.033 -2.046 1
1 583 . 2 1 1 A 52 52 LEU N N 52 120.156 118.675 1.481 1
1 584 . 2 1 1 A 53 53 SER H H 53 8.599 8.411 0.188 1
1 585 . 2 1 1 A 53 53 SER HA H 53 4.454 4.921 -0.467 1
1 588 . 2 1 1 A 53 53 SER C C 53 175.265 176.295 -1.030 1
1 589 . 2 1 1 A 53 53 SER CA C 53 57.586 56.179 1.407 1
1 590 . 2 1 1 A 53 53 SER CB C 53 65.402 66.189 -0.787 1
1 591 . 2 1 1 A 53 53 SER N N 53 114.483 113.804 0.679 1
1 592 . 2 1 1 A 54 54 ARG H H 54 9.030 8.861 0.169 1
1 593 . 2 1 1 A 54 54 ARG HA H 54 3.925 3.919 0.006 1
1 599 . 2 1 1 A 54 54 ARG C C 54 178.621 178.212 0.409 1
1 600 . 2 1 1 A 54 54 ARG CA C 54 59.660 59.898 -0.238 1
1 601 . 2 1 1 A 54 54 ARG CB C 54 29.594 29.986 -0.392 1
1 604 . 2 1 1 A 54 54 ARG N N 54 121.039 121.492 -0.453 1
1 605 . 2 1 1 A 55 55 ARG H H 55 8.472 7.996 0.476 1
1 606 . 2 1 1 A 55 55 ARG HA H 55 4.253 4.058 0.195 1
1 611 . 2 1 1 A 55 55 ARG C C 55 179.367 178.808 0.559 1
1 612 . 2 1 1 A 55 55 ARG CA C 55 59.387 59.386 0.001 1
1 613 . 2 1 1 A 55 55 ARG CB C 55 30.068 30.051 0.017 1
1 616 . 2 1 1 A 55 55 ARG N N 55 117.655 119.298 -1.643 1
1 617 . 2 1 1 A 56 56 GLU H H 56 7.849 8.297 -0.448 1
1 618 . 2 1 1 A 56 56 GLU HA H 56 3.909 4.034 -0.125 1
1 622 . 2 1 1 A 56 56 GLU C C 56 179.885 179.260 0.625 1
1 623 . 2 1 1 A 56 56 GLU CA C 56 59.421 59.529 -0.108 1
1 624 . 2 1 1 A 56 56 GLU CB C 56 30.907 29.521 1.386 1
1 626 . 2 1 1 A 56 56 GLU N N 56 119.916 119.352 0.564 1
1 627 . 2 1 1 A 57 57 ILE H H 57 8.254 7.901 0.353 1
1 628 . 2 1 1 A 57 57 ILE HA H 57 3.732 3.751 -0.019 1
1 638 . 2 1 1 A 57 57 ILE C C 57 177.586 177.833 -0.247 1
1 639 . 2 1 1 A 57 57 ILE CA C 57 66.553 65.607 0.946 1
1 640 . 2 1 1 A 57 57 ILE CB C 57 38.596 37.774 0.822 1
1 644 . 2 1 1 A 57 57 ILE N N 57 122.354 120.664 1.690 1
1 645 . 2 1 1 A 58 58 ASP H H 58 8.899 8.544 0.355 1
1 646 . 2 1 1 A 58 58 ASP HA H 58 4.621 4.308 0.313 1
1 649 . 2 1 1 A 58 58 ASP C C 58 180.161 178.535 1.626 1
1 650 . 2 1 1 A 58 58 ASP CA C 58 58.114 57.488 0.626 1
1 651 . 2 1 1 A 58 58 ASP CB C 58 40.817 41.100 -0.283 1
1 652 . 2 1 1 A 58 58 ASP N N 58 121.029 121.183 -0.154 1
1 653 . 2 1 1 A 59 59 SER H H 59 8.321 8.217 0.104 1
1 654 . 2 1 1 A 59 59 SER HA H 59 4.371 4.268 0.103 1
1 656 . 2 1 1 A 59 59 SER C C 59 176.017 176.938 -0.921 1
1 657 . 2 1 1 A 59 59 SER CA C 59 61.870 61.291 0.579 1
1 658 . 2 1 1 A 59 59 SER CB C 59 63.076 62.716 0.360 1
1 659 . 2 1 1 A 59 59 SER N N 59 114.708 113.869 0.839 1
1 660 . 2 1 1 A 60 60 TRP H H 60 8.209 8.200 0.009 1
1 661 . 2 1 1 A 60 60 TRP HA H 60 4.019 4.355 -0.336 1
1 670 . 2 1 1 A 60 60 TRP C C 60 179.214 178.527 0.687 1
1 671 . 2 1 1 A 60 60 TRP CA C 60 62.981 61.220 1.761 1
1 672 . 2 1 1 A 60 60 TRP CB C 60 28.693 29.349 -0.656 1
1 678 . 2 1 1 A 60 60 TRP N N 60 123.289 123.764 -0.475 1
1 680 . 2 1 1 A 61 61 PHE H H 61 8.941 8.823 0.118 1
1 681 . 2 1 1 A 61 61 PHE HA H 61 3.798 4.204 -0.406 1
1 689 . 2 1 1 A 61 61 PHE C C 61 178.097 178.263 -0.166 1
1 690 . 2 1 1 A 61 61 PHE CA C 61 63.866 61.711 2.155 1
1 691 . 2 1 1 A 61 61 PHE CB C 61 39.642 38.409 1.233 1
1 697 . 2 1 1 A 61 61 PHE N N 61 118.838 118.217 0.621 1
1 698 . 2 1 1 A 62 62 SER H H 62 8.179 8.523 -0.344 1
1 699 . 2 1 1 A 62 62 SER HA H 62 4.134 4.154 -0.020 1
1 702 . 2 1 1 A 62 62 SER C C 62 177.996 176.702 1.294 1
1 703 . 2 1 1 A 62 62 SER CA C 62 62.064 61.865 0.199 1
1 704 . 2 1 1 A 62 62 SER CB C 62 62.890 63.047 -0.157 1
1 705 . 2 1 1 A 62 62 SER N N 62 113.145 114.903 -1.758 1
1 706 . 2 1 1 A 63 63 GLU H H 63 8.027 8.275 -0.248 1
1 707 . 2 1 1 A 63 63 GLU HA H 63 3.910 3.994 -0.084 1
1 711 . 2 1 1 A 63 63 GLU C C 63 178.729 178.724 0.005 1
1 712 . 2 1 1 A 63 63 GLU CA C 63 58.637 58.958 -0.321 1
1 713 . 2 1 1 A 63 63 GLU CB C 63 29.188 28.882 0.306 1
1 715 . 2 1 1 A 63 63 GLU N N 63 120.533 118.755 1.778 1
1 716 . 2 1 1 A 64 64 ARG H H 64 8.166 7.531 0.635 1
1 717 . 2 1 1 A 64 64 ARG HA H 64 3.498 3.619 -0.121 1
1 725 . 2 1 1 A 64 64 ARG C C 64 179.466 178.711 0.755 1
1 726 . 2 1 1 A 64 64 ARG CA C 64 56.502 58.686 -2.184 1
1 727 . 2 1 1 A 64 64 ARG CB C 64 28.148 28.805 -0.657 1
1 730 . 2 1 1 A 64 64 ARG N N 64 122.505 119.774 2.731 1
1 732 . 2 1 1 A 65 65 ARG H H 65 8.002 7.664 0.338 1
1 733 . 2 1 1 A 65 65 ARG HA H 65 4.086 4.338 -0.252 1
1 740 . 2 1 1 A 65 65 ARG C C 65 177.832 178.652 -0.820 1
1 741 . 2 1 1 A 65 65 ARG CA C 65 60.054 59.143 0.911 1
1 742 . 2 1 1 A 65 65 ARG CB C 65 31.425 29.992 1.433 1
1 745 . 2 1 1 A 65 65 ARG N N 65 117.887 118.801 -0.914 1
1 746 . 2 1 1 A 66 66 LYS H H 66 7.356 7.653 -0.297 1
1 747 . 2 1 1 A 66 66 LYS HA H 66 4.141 4.162 -0.021 1
1 753 . 2 1 1 A 66 66 LYS C C 66 178.353 179.219 -0.866 1
1 754 . 2 1 1 A 66 66 LYS CA C 66 58.444 58.428 0.016 1
1 755 . 2 1 1 A 66 66 LYS CB C 66 32.288 32.667 -0.379 1
1 759 . 2 1 1 A 66 66 LYS N N 66 118.479 117.835 0.644 1
1 760 . 2 1 1 A 67 67 LEU H H 67 7.604 7.957 -0.353 1
1 761 . 2 1 1 A 67 67 LEU HA H 67 4.143 4.063 0.080 1
1 771 . 2 1 1 A 67 67 LEU C C 67 178.510 177.985 0.525 1
1 772 . 2 1 1 A 67 67 LEU CA C 67 56.712 57.901 -1.189 1
1 773 . 2 1 1 A 67 67 LEU CB C 67 41.857 41.848 0.009 1
1 777 . 2 1 1 A 67 67 LEU N N 67 120.424 121.869 -1.445 1
1 778 . 2 1 1 A 68 68 ARG H H 68 7.914 8.017 -0.103 1
1 779 . 2 1 1 A 68 68 ARG HA H 68 4.262 3.922 0.340 1
1 786 . 2 1 1 A 68 68 ARG C C 68 177.396 178.192 -0.796 1
1 787 . 2 1 1 A 68 68 ARG CA C 68 57.589 59.772 -2.183 1
1 788 . 2 1 1 A 68 68 ARG CB C 68 30.211 29.852 0.359 1
1 791 . 2 1 1 A 68 68 ARG N N 68 120.638 119.074 1.564 1
1 792 . 2 1 1 A 69 69 ASP H H 69 8.337 8.257 0.080 1
1 793 . 2 1 1 A 69 69 ASP HA H 69 4.592 4.415 0.177 1
1 796 . 2 1 1 A 69 69 ASP C C 69 176.826 176.982 -0.156 1
1 797 . 2 1 1 A 69 69 ASP CA C 69 55.527 57.256 -1.729 1
1 798 . 2 1 1 A 69 69 ASP CB C 69 40.833 41.277 -0.444 1
1 799 . 2 1 1 A 69 69 ASP N N 69 119.845 120.018 -0.173 1
1 800 . 2 1 1 A 70 70 SER H H 70 8.002 7.635 0.367 1
1 801 . 2 1 1 A 70 70 SER HA H 70 4.473 4.341 0.132 1
1 804 . 2 1 1 A 70 70 SER C C 70 174.524 175.247 -0.723 1
1 805 . 2 1 1 A 70 70 SER CA C 70 59.070 58.177 0.893 1
1 806 . 2 1 1 A 70 70 SER CB C 70 63.887 63.938 -0.051 1
1 807 . 2 1 1 A 70 70 SER N N 70 114.740 114.876 -0.136 1
1 808 . 2 1 1 A 71 71 MET H H 71 8.117 8.669 -0.552 1
1 809 . 2 1 1 A 71 71 MET HA H 71 4.559 4.045 0.514 1
1 817 . 2 1 1 A 71 71 MET C C 71 175.392 175.539 -0.147 1
1 818 . 2 1 1 A 71 71 MET CA C 71 55.711 56.485 -0.774 1
1 819 . 2 1 1 A 71 71 MET CB C 71 33.246 31.224 2.022 1
1 822 . 2 1 1 A 71 71 MET N N 71 121.694 119.907 1.787 1
1 823 . 2 1 1 A 72 72 GLU HA H 72 4.245 4.556 -0.311 1
1 827 . 2 1 1 A 72 72 GLU C C 72 177.767 177.935 -0.168 1
1 828 . 2 1 1 A 72 72 GLU CA C 72 57.871 55.495 2.376 1
1 829 . 2 1 1 A 72 72 GLU CB C 72 29.798 31.042 -1.244 1
1 831 . 2 1 1 A 73 73 GLN H H 73 8.210 8.589 -0.379 1
1 832 . 2 1 1 A 73 73 GLN HA H 73 4.177 3.960 0.217 1
1 836 . 2 1 1 A 73 73 GLN C C 73 176.422 176.378 0.044 1
1 837 . 2 1 1 A 73 73 GLN CA C 73 56.899 59.265 -2.366 1
1 838 . 2 1 1 A 73 73 GLN CB C 73 28.852 28.609 0.243 1
1 840 . 2 1 1 A 73 73 GLN N N 73 120.076 122.385 -2.309 1
1 841 . 2 1 1 A 74 74 ALA H H 74 8.099 7.846 0.253 1
1 842 . 2 1 1 A 74 74 ALA HA H 74 4.239 4.708 -0.469 1
1 846 . 2 1 1 A 74 74 ALA C C 74 178.960 176.249 2.711 1
1 847 . 2 1 1 A 74 74 ALA CA C 74 53.837 50.421 3.416 1
1 848 . 2 1 1 A 74 74 ALA CB C 74 18.794 20.729 -1.935 1
1 849 . 2 1 1 A 74 74 ALA N N 74 123.168 121.663 1.505 1
1 850 . 2 1 1 A 75 75 VAL H H 75 7.886 8.723 -0.837 1
1 851 . 2 1 1 A 75 75 VAL HA H 75 3.985 4.232 -0.247 1
1 859 . 2 1 1 A 75 75 VAL C C 75 177.376 176.004 1.372 1
1 860 . 2 1 1 A 75 75 VAL CA C 75 63.895 62.547 1.348 1
1 861 . 2 1 1 A 75 75 VAL CB C 75 32.450 32.111 0.339 1
1 864 . 2 1 1 A 75 75 VAL N N 75 119.018 123.074 -4.056 1
1 865 . 2 1 1 A 76 76 LEU H H 76 8.074 8.676 -0.602 1
1 866 . 2 1 1 A 76 76 LEU HA H 76 4.291 4.294 -0.003 1
1 876 . 2 1 1 A 76 76 LEU C C 76 178.363 176.381 1.982 1
1 877 . 2 1 1 A 76 76 LEU CA C 76 56.247 54.749 1.498 1
1 878 . 2 1 1 A 76 76 LEU CB C 76 42.342 42.378 -0.036 1
1 882 . 2 1 1 A 76 76 LEU N N 76 124.324 129.244 -4.920 1
1 883 . 2 1 1 A 77 77 ASP H H 77 8.443 8.391 0.052 1
1 884 . 2 1 1 A 77 77 ASP HA H 77 4.593 4.690 -0.097 1
1 887 . 2 1 1 A 77 77 ASP C C 77 177.224 175.836 1.388 1
1 888 . 2 1 1 A 77 77 ASP CA C 77 55.364 53.628 1.736 1
1 889 . 2 1 1 A 77 77 ASP CB C 77 40.970 41.778 -0.808 1
1 890 . 2 1 1 A 77 77 ASP N N 77 120.595 122.671 -2.076 1
1 891 . 2 1 1 A 78 78 SER H H 78 8.121 8.426 -0.305 1
1 892 . 2 1 1 A 78 78 SER HA H 78 4.421 4.811 -0.390 1
1 894 . 2 1 1 A 78 78 SER C C 78 175.244 174.367 0.877 1
1 895 . 2 1 1 A 78 78 SER CA C 78 58.809 56.918 1.891 1
1 896 . 2 1 1 A 78 78 SER CB C 78 63.674 65.978 -2.304 1
1 897 . 2 1 1 A 78 78 SER N N 78 115.700 114.795 0.905 1
1 898 . 2 1 1 A 79 79 MET H H 79 8.202 8.704 -0.502 1
1 899 . 2 1 1 A 79 79 MET HA H 79 4.525 4.229 0.296 1
1 903 . 2 1 1 A 79 79 MET C C 79 177.199 176.645 0.554 1
1 904 . 2 1 1 A 79 79 MET CA C 79 56.010 56.027 -0.017 1
1 905 . 2 1 1 A 79 79 MET CB C 79 32.610 33.444 -0.834 1
1 907 . 2 1 1 A 79 79 MET N N 79 121.204 121.095 0.109 1
1 908 . 2 1 1 A 80 80 GLY H H 80 8.268 8.527 -0.259 1
1 909 . 2 1 1 A 80 80 GLY C C 80 174.529 173.757 0.772 1
1 910 . 2 1 1 A 80 80 GLY CA C 80 45.637 45.493 0.144 1
1 911 . 2 1 1 A 80 80 GLY N N 80 109.108 112.689 -3.581 1
1 912 . 2 1 1 A 81 81 SER HA H 81 4.478 4.877 -0.399 1
1 915 . 2 1 1 A 81 81 SER C C 81 175.336 173.907 1.429 1
1 916 . 2 1 1 A 81 81 SER CA C 81 58.701 55.974 2.727 1
1 917 . 2 1 1 A 81 81 SER CB C 81 63.977 65.897 -1.920 1
1 918 . 2 1 1 A 82 82 GLY H H 82 8.526 8.545 -0.019 1
1 919 . 2 1 1 A 82 82 GLY HA2 H 82 4.018 3.997 0.021 1
1 920 . 2 1 1 A 82 82 GLY HA3 H 82 4.018 3.997 0.021 1
1 921 . 2 1 1 A 82 82 GLY C C 82 174.290 173.098 1.192 1
1 922 . 2 1 1 A 82 82 GLY CA C 82 45.485 45.547 -0.062 1
1 923 . 2 1 1 A 82 82 GLY N N 82 110.928 112.418 -1.490 1
1 924 . 2 1 1 A 83 83 LYS H H 83 8.159 8.736 -0.577 1
1 925 . 2 1 1 A 83 83 LYS C C 83 176.692 175.916 0.776 1
1 926 . 2 1 1 A 83 83 LYS CA C 83 56.216 54.432 1.784 1
1 927 . 2 1 1 A 83 83 LYS CB C 83 33.201 36.562 -3.361 1
1 928 . 2 1 1 A 83 83 LYS N N 83 120.759 122.604 -1.845 1
1 929 . 2 1 1 A 88 88 SER HA H 88 4.509 4.856 -0.347 1
1 932 . 2 1 1 A 88 88 SER C C 88 173.946 174.248 -0.302 1
1 933 . 2 1 1 A 88 88 SER CA C 88 58.432 56.648 1.784 1
1 934 . 2 1 1 A 88 88 SER CB C 88 64.208 66.116 -1.908 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.940 4.155 -0.215 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.940 4.157 -0.217 1
1 3 . 3 1 1 A 7 7 GLY C C 7 173.532 171.909 1.623 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.255 44.421 0.834 1
1 5 . 3 1 1 A 8 8 ALA H H 8 8.010 8.825 -0.815 1
1 6 . 3 1 1 A 8 8 ALA HA H 8 4.259 5.371 -1.112 1
1 10 . 3 1 1 A 8 8 ALA C C 8 176.987 175.052 1.935 1
1 11 . 3 1 1 A 8 8 ALA CA C 8 52.334 50.684 1.650 1
1 12 . 3 1 1 A 8 8 ALA CB C 8 19.389 23.710 -4.321 1
1 13 . 3 1 1 A 8 8 ALA N N 8 123.317 123.943 -0.626 1
1 14 . 3 1 1 A 9 9 TYR H H 9 8.110 8.571 -0.461 1
1 15 . 3 1 1 A 9 9 TYR HA H 9 4.832 4.943 -0.111 1
1 22 . 3 1 1 A 9 9 TYR C C 9 174.112 175.734 -1.622 1
1 23 . 3 1 1 A 9 9 TYR CA C 9 55.642 55.977 -0.335 1
1 24 . 3 1 1 A 9 9 TYR CB C 9 38.292 42.369 -4.077 1
1 29 . 3 1 1 A 9 9 TYR N N 9 120.065 117.617 2.448 1
1 30 . 3 1 1 A 10 10 PRO HA H 10 4.377 4.510 -0.133 1
1 36 . 3 1 1 A 10 10 PRO C C 10 176.388 174.623 1.765 1
1 37 . 3 1 1 A 10 10 PRO CA C 10 63.332 64.014 -0.682 1
1 38 . 3 1 1 A 10 10 PRO CB C 10 31.985 31.514 0.471 1
1 41 . 3 1 1 A 11 11 ASP H H 11 8.249 7.753 0.496 1
1 42 . 3 1 1 A 11 11 ASP HA H 11 4.537 5.308 -0.771 1
1 45 . 3 1 1 A 11 11 ASP C C 11 175.893 175.134 0.759 1
1 46 . 3 1 1 A 11 11 ASP CA C 11 54.410 52.664 1.746 1
1 47 . 3 1 1 A 11 11 ASP CB C 11 41.149 43.764 -2.615 1
1 48 . 3 1 1 A 11 11 ASP N N 11 119.884 115.428 4.456 1
1 49 . 3 1 1 A 12 12 PHE H H 12 8.028 9.008 -0.980 1
1 50 . 3 1 1 A 12 12 PHE HA H 12 4.616 5.569 -0.953 1
1 55 . 3 1 1 A 12 12 PHE C C 12 175.001 175.224 -0.223 1
1 56 . 3 1 1 A 12 12 PHE CA C 12 57.417 55.042 2.375 1
1 57 . 3 1 1 A 12 12 PHE CB C 12 39.577 41.807 -2.230 1
1 60 . 3 1 1 A 12 12 PHE N N 12 119.972 117.531 2.441 1
1 61 . 3 1 1 A 13 13 ALA H H 13 8.118 8.638 -0.520 1
1 62 . 3 1 1 A 13 13 ALA HA H 13 4.570 4.389 0.181 1
1 66 . 3 1 1 A 13 13 ALA C C 13 175.002 175.419 -0.417 1
1 67 . 3 1 1 A 13 13 ALA CA C 13 50.500 50.825 -0.325 1
1 68 . 3 1 1 A 13 13 ALA CB C 13 18.532 18.363 0.169 1
1 69 . 3 1 1 A 13 13 ALA N N 13 126.968 123.254 3.714 1
1 70 . 3 1 1 A 14 14 PRO HA H 14 4.349 4.482 -0.133 1
1 76 . 3 1 1 A 14 14 PRO C C 14 177.054 176.571 0.483 1
1 77 . 3 1 1 A 14 14 PRO CA C 14 63.380 62.257 1.123 1
1 78 . 3 1 1 A 14 14 PRO CB C 14 31.960 32.255 -0.295 1
1 81 . 3 1 1 A 15 15 GLN H H 15 8.411 8.372 0.039 1
1 82 . 3 1 1 A 15 15 GLN HA H 15 4.221 4.398 -0.177 1
1 88 . 3 1 1 A 15 15 GLN C C 15 175.815 175.169 0.646 1
1 89 . 3 1 1 A 15 15 GLN CA C 15 55.929 55.326 0.603 1
1 90 . 3 1 1 A 15 15 GLN CB C 15 29.270 29.645 -0.375 1
1 92 . 3 1 1 A 15 15 GLN N N 15 120.172 119.005 1.167 1
1 94 . 3 1 1 A 16 16 LYS H H 16 8.171 8.457 -0.286 1
1 95 . 3 1 1 A 16 16 LYS HA H 16 4.234 4.666 -0.432 1
1 102 . 3 1 1 A 16 16 LYS C C 16 176.196 175.247 0.949 1
1 103 . 3 1 1 A 16 16 LYS CA C 16 56.236 55.423 0.813 1
1 104 . 3 1 1 A 16 16 LYS CB C 16 33.171 35.522 -2.351 1
1 108 . 3 1 1 A 16 16 LYS N N 16 122.238 121.149 1.089 1
1 109 . 3 1 1 A 17 17 PHE H H 17 8.257 8.596 -0.339 1
1 110 . 3 1 1 A 17 17 PHE HA H 17 4.715 5.139 -0.424 1
1 117 . 3 1 1 A 17 17 PHE C C 17 175.737 174.978 0.759 1
1 118 . 3 1 1 A 17 17 PHE CA C 17 57.341 55.556 1.785 1
1 119 . 3 1 1 A 17 17 PHE CB C 17 39.776 40.922 -1.146 1
1 124 . 3 1 1 A 17 17 PHE N N 17 121.572 124.457 -2.885 1
1 125 . 3 1 1 A 18 18 LYS H H 18 8.411 8.945 -0.534 1
1 126 . 3 1 1 A 18 18 LYS HA H 18 4.285 5.002 -0.717 1
1 132 . 3 1 1 A 18 18 LYS C C 18 176.317 175.248 1.069 1
1 133 . 3 1 1 A 18 18 LYS CA C 18 56.146 54.233 1.913 1
1 134 . 3 1 1 A 18 18 LYS CB C 18 33.269 37.183 -3.914 1
1 138 . 3 1 1 A 18 18 LYS N N 18 123.072 119.820 3.252 1
1 139 . 3 1 1 A 19 19 GLU H H 19 8.494 8.690 -0.196 1
1 140 . 3 1 1 A 19 19 GLU HA H 19 4.243 5.089 -0.846 1
1 144 . 3 1 1 A 19 19 GLU C C 19 176.811 175.553 1.258 1
1 145 . 3 1 1 A 19 19 GLU CA C 19 56.916 55.064 1.852 1
1 146 . 3 1 1 A 19 19 GLU CB C 19 30.158 32.302 -2.144 1
1 148 . 3 1 1 A 19 19 GLU N N 19 123.032 120.985 2.047 1
1 149 . 3 1 1 A 20 20 LYS H H 20 8.530 8.814 -0.284 1
1 150 . 3 1 1 A 20 20 LYS HA H 20 4.560 4.755 -0.195 1
1 159 . 3 1 1 A 20 20 LYS C C 20 177.491 176.618 0.873 1
1 160 . 3 1 1 A 20 20 LYS CA C 20 56.105 55.148 0.957 1
1 161 . 3 1 1 A 20 20 LYS CB C 20 34.248 33.879 0.369 1
1 165 . 3 1 1 A 20 20 LYS N N 20 123.545 124.487 -0.942 1
1 166 . 3 1 1 A 21 21 THR H H 21 8.868 8.268 0.600 1
1 167 . 3 1 1 A 21 21 THR HA H 21 4.448 4.503 -0.055 1
1 172 . 3 1 1 A 21 21 THR C C 21 175.491 175.972 -0.481 1
1 173 . 3 1 1 A 21 21 THR CA C 21 60.686 60.903 -0.217 1
1 174 . 3 1 1 A 21 21 THR CB C 21 70.760 70.851 -0.091 1
1 176 . 3 1 1 A 21 21 THR N N 21 113.437 114.033 -0.596 1
1 177 . 3 1 1 A 22 22 GLN H H 22 8.993 8.932 0.061 1
1 178 . 3 1 1 A 22 22 GLN HA H 22 4.055 4.043 0.012 1
1 183 . 3 1 1 A 22 22 GLN C C 22 178.882 178.343 0.539 1
1 184 . 3 1 1 A 22 22 GLN CA C 22 58.899 58.324 0.575 1
1 185 . 3 1 1 A 22 22 GLN CB C 22 28.366 28.263 0.103 1
1 187 . 3 1 1 A 22 22 GLN N N 22 120.458 121.158 -0.700 1
1 188 . 3 1 1 A 23 23 GLY H H 23 8.580 8.406 0.174 1
1 189 . 3 1 1 A 23 23 GLY HA2 H 23 3.843 3.774 0.069 1
1 190 . 3 1 1 A 23 23 GLY HA3 H 23 3.843 3.774 0.069 1
1 191 . 3 1 1 A 23 23 GLY C C 23 176.518 175.907 0.611 1
1 192 . 3 1 1 A 23 23 GLY CA C 23 46.750 47.262 -0.512 1
1 193 . 3 1 1 A 23 23 GLY N N 23 107.047 109.116 -2.069 1
1 194 . 3 1 1 A 24 24 GLN H H 24 7.771 7.385 0.386 1
1 195 . 3 1 1 A 24 24 GLN HA H 24 3.844 3.865 -0.021 1
1 202 . 3 1 1 A 24 24 GLN C C 24 177.564 178.401 -0.837 1
1 203 . 3 1 1 A 24 24 GLN CA C 24 59.397 58.709 0.688 1
1 204 . 3 1 1 A 24 24 GLN CB C 24 29.250 28.316 0.934 1
1 206 . 3 1 1 A 24 24 GLN N N 24 120.555 120.941 -0.386 1
1 208 . 3 1 1 A 25 25 VAL H H 25 8.029 8.060 -0.031 1
1 209 . 3 1 1 A 25 25 VAL HA H 25 3.163 3.288 -0.125 1
1 217 . 3 1 1 A 25 25 VAL C C 25 176.630 177.849 -1.219 1
1 218 . 3 1 1 A 25 25 VAL CA C 25 66.856 66.909 -0.053 1
1 219 . 3 1 1 A 25 25 VAL CB C 25 31.543 31.296 0.247 1
1 222 . 3 1 1 A 25 25 VAL N N 25 117.187 120.243 -3.056 1
1 223 . 3 1 1 A 26 26 LYS H H 26 7.924 8.132 -0.208 1
1 224 . 3 1 1 A 26 26 LYS HA H 26 3.995 3.867 0.128 1
1 230 . 3 1 1 A 26 26 LYS C C 26 178.199 178.509 -0.310 1
1 231 . 3 1 1 A 26 26 LYS CA C 26 59.506 60.139 -0.633 1
1 232 . 3 1 1 A 26 26 LYS CB C 26 32.209 32.127 0.082 1
1 236 . 3 1 1 A 26 26 LYS N N 26 119.341 120.684 -1.343 1
1 237 . 3 1 1 A 27 27 ILE H H 27 7.033 7.745 -0.712 1
1 238 . 3 1 1 A 27 27 ILE HA H 27 3.706 3.664 0.042 1
1 248 . 3 1 1 A 27 27 ILE C C 27 179.280 178.697 0.583 1
1 249 . 3 1 1 A 27 27 ILE CA C 27 64.803 65.033 -0.230 1
1 250 . 3 1 1 A 27 27 ILE CB C 27 38.361 37.350 1.011 1
1 254 . 3 1 1 A 27 27 ILE N N 27 117.901 120.321 -2.420 1
1 255 . 3 1 1 A 28 28 LEU H H 28 7.400 7.615 -0.215 1
1 256 . 3 1 1 A 28 28 LEU HA H 28 3.563 3.859 -0.296 1
1 266 . 3 1 1 A 28 28 LEU C C 28 177.369 178.615 -1.246 1
1 267 . 3 1 1 A 28 28 LEU CA C 28 58.256 58.090 0.166 1
1 268 . 3 1 1 A 28 28 LEU CB C 28 37.957 40.907 -2.950 1
1 272 . 3 1 1 A 28 28 LEU N N 28 121.290 120.437 0.853 1
1 273 . 3 1 1 A 29 29 GLU H H 29 8.880 8.569 0.311 1
1 274 . 3 1 1 A 29 29 GLU HA H 29 4.327 4.153 0.174 1
1 278 . 3 1 1 A 29 29 GLU C C 29 179.216 179.054 0.162 1
1 279 . 3 1 1 A 29 29 GLU CA C 29 59.430 59.837 -0.407 1
1 280 . 3 1 1 A 29 29 GLU CB C 29 29.276 29.491 -0.215 1
1 282 . 3 1 1 A 29 29 GLU N N 29 120.487 117.039 3.448 1
1 283 . 3 1 1 A 30 30 ASP H H 30 8.313 8.115 0.198 1
1 284 . 3 1 1 A 30 30 ASP HA H 30 4.422 4.429 -0.007 1
1 287 . 3 1 1 A 30 30 ASP C C 30 179.036 178.412 0.624 1
1 288 . 3 1 1 A 30 30 ASP CA C 30 57.388 57.805 -0.417 1
1 289 . 3 1 1 A 30 30 ASP CB C 30 40.547 42.150 -1.603 1
1 290 . 3 1 1 A 30 30 ASP N N 30 118.471 120.579 -2.108 1
1 291 . 3 1 1 A 31 31 SER H H 31 7.406 8.100 -0.694 1
1 292 . 3 1 1 A 31 31 SER HA H 31 4.290 4.342 -0.052 1
1 295 . 3 1 1 A 31 31 SER C C 31 177.290 177.008 0.282 1
1 296 . 3 1 1 A 31 31 SER CA C 31 61.575 60.982 0.593 1
1 297 . 3 1 1 A 31 31 SER CB C 31 63.167 63.096 0.071 1
1 298 . 3 1 1 A 31 31 SER N N 31 113.187 114.170 -0.983 1
1 299 . 3 1 1 A 32 32 PHE H H 32 9.117 8.280 0.837 1
1 300 . 3 1 1 A 32 32 PHE HA H 32 4.369 4.589 -0.220 1
1 308 . 3 1 1 A 32 32 PHE C C 32 176.545 177.465 -0.920 1
1 309 . 3 1 1 A 32 32 PHE CA C 32 61.569 61.795 -0.226 1
1 310 . 3 1 1 A 32 32 PHE CB C 32 39.362 39.640 -0.278 1
1 316 . 3 1 1 A 32 32 PHE N N 32 121.840 122.712 -0.872 1
1 317 . 3 1 1 A 33 33 LEU H H 33 8.235 8.988 -0.753 1
1 318 . 3 1 1 A 33 33 LEU HA H 33 3.965 4.139 -0.174 1
1 328 . 3 1 1 A 33 33 LEU C C 33 179.575 179.583 -0.008 1
1 329 . 3 1 1 A 33 33 LEU CA C 33 56.998 58.398 -1.400 1
1 330 . 3 1 1 A 33 33 LEU CB C 33 42.053 41.880 0.173 1
1 334 . 3 1 1 A 33 33 LEU N N 33 115.363 120.292 -4.929 1
1 335 . 3 1 1 A 34 34 LYS H H 34 7.509 7.954 -0.445 1
1 336 . 3 1 1 A 34 34 LYS HA H 34 4.174 4.294 -0.120 1
1 343 . 3 1 1 A 34 34 LYS C C 34 178.190 176.591 1.599 1
1 344 . 3 1 1 A 34 34 LYS CA C 34 58.819 58.462 0.357 1
1 345 . 3 1 1 A 34 34 LYS CB C 34 32.352 32.658 -0.306 1
1 349 . 3 1 1 A 34 34 LYS N N 34 119.688 117.706 1.982 1
1 350 . 3 1 1 A 35 35 SER H H 35 8.130 7.844 0.286 1
1 351 . 3 1 1 A 35 35 SER HA H 35 4.379 4.707 -0.328 1
1 354 . 3 1 1 A 35 35 SER C C 35 174.000 174.436 -0.436 1
1 355 . 3 1 1 A 35 35 SER CA C 35 58.202 57.384 0.818 1
1 356 . 3 1 1 A 35 35 SER CB C 35 64.375 64.479 -0.104 1
1 357 . 3 1 1 A 35 35 SER N N 35 112.275 115.031 -2.756 1
1 358 . 3 1 1 A 36 36 SER H H 36 8.404 8.812 -0.408 1
1 359 . 3 1 1 A 36 36 SER HA H 36 3.952 3.068 0.884 1
1 362 . 3 1 1 A 36 36 SER C C 36 172.467 174.488 -2.021 1
1 363 . 3 1 1 A 36 36 SER CA C 36 59.127 61.711 -2.584 1
1 364 . 3 1 1 A 36 36 SER CB C 36 63.788 62.745 1.043 1
1 365 . 3 1 1 A 36 36 SER N N 36 121.307 121.946 -0.639 1
1 366 . 3 1 1 A 37 37 PHE H H 37 7.735 8.137 -0.402 1
1 367 . 3 1 1 A 37 37 PHE HA H 37 4.859 4.822 0.037 1
1 375 . 3 1 1 A 37 37 PHE C C 37 172.549 173.785 -1.236 1
1 376 . 3 1 1 A 37 37 PHE CA C 37 55.604 54.916 0.688 1
1 377 . 3 1 1 A 37 37 PHE CB C 37 39.842 39.074 0.768 1
1 383 . 3 1 1 A 37 37 PHE N N 37 118.373 119.562 -1.189 1
1 384 . 3 1 1 A 38 38 PRO HA H 38 4.391 4.547 -0.156 1
1 391 . 3 1 1 A 38 38 PRO C C 38 177.660 176.044 1.616 1
1 392 . 3 1 1 A 38 38 PRO CA C 38 62.193 62.688 -0.495 1
1 393 . 3 1 1 A 38 38 PRO CB C 38 31.490 32.099 -0.609 1
1 396 . 3 1 1 A 39 39 THR H H 39 7.809 8.391 -0.582 1
1 397 . 3 1 1 A 39 39 THR HA H 39 4.322 4.541 -0.219 1
1 402 . 3 1 1 A 39 39 THR C C 39 174.966 175.556 -0.590 1
1 403 . 3 1 1 A 39 39 THR CA C 39 60.648 60.711 -0.063 1
1 404 . 3 1 1 A 39 39 THR CB C 39 71.192 70.353 0.839 1
1 406 . 3 1 1 A 39 39 THR N N 39 111.373 116.838 -5.465 1
1 407 . 3 1 1 A 40 40 GLN H H 40 8.880 9.017 -0.137 1
1 408 . 3 1 1 A 40 40 GLN HA H 40 3.907 3.923 -0.016 1
1 414 . 3 1 1 A 40 40 GLN C C 40 177.855 178.077 -0.222 1
1 415 . 3 1 1 A 40 40 GLN CA C 40 59.243 59.600 -0.357 1
1 416 . 3 1 1 A 40 40 GLN CB C 40 28.107 28.461 -0.354 1
1 418 . 3 1 1 A 40 40 GLN N N 40 120.143 127.268 -7.125 1
1 420 . 3 1 1 A 41 41 ALA H H 41 8.286 8.092 0.194 1
1 421 . 3 1 1 A 41 41 ALA HA H 41 4.212 4.076 0.136 1
1 425 . 3 1 1 A 41 41 ALA C C 41 180.741 179.086 1.655 1
1 426 . 3 1 1 A 41 41 ALA CA C 41 55.009 55.306 -0.297 1
1 427 . 3 1 1 A 41 41 ALA CB C 41 18.111 18.122 -0.011 1
1 428 . 3 1 1 A 41 41 ALA N N 41 119.773 121.972 -2.199 1
1 429 . 3 1 1 A 42 42 GLU H H 42 7.772 8.121 -0.349 1
1 430 . 3 1 1 A 42 42 GLU HA H 42 4.673 3.994 0.679 1
1 435 . 3 1 1 A 42 42 GLU C C 42 178.478 178.500 -0.022 1
1 436 . 3 1 1 A 42 42 GLU CA C 42 57.730 59.480 -1.750 1
1 437 . 3 1 1 A 42 42 GLU CB C 42 28.610 29.249 -0.639 1
1 439 . 3 1 1 A 42 42 GLU N N 42 122.141 118.315 3.826 1
1 440 . 3 1 1 A 43 43 LEU H H 43 8.472 8.273 0.199 1
1 441 . 3 1 1 A 43 43 LEU HA H 43 3.924 3.851 0.073 1
1 451 . 3 1 1 A 43 43 LEU C C 43 179.842 178.593 1.249 1
1 452 . 3 1 1 A 43 43 LEU CA C 43 58.828 57.658 1.170 1
1 453 . 3 1 1 A 43 43 LEU CB C 43 41.540 41.560 -0.020 1
1 457 . 3 1 1 A 43 43 LEU N N 43 121.542 120.447 1.095 1
1 458 . 3 1 1 A 44 44 ASP H H 44 8.384 8.129 0.255 1
1 459 . 3 1 1 A 44 44 ASP HA H 44 4.447 4.278 0.169 1
1 462 . 3 1 1 A 44 44 ASP C C 44 178.428 179.054 -0.626 1
1 463 . 3 1 1 A 44 44 ASP CA C 44 57.812 57.520 0.292 1
1 464 . 3 1 1 A 44 44 ASP CB C 44 40.226 41.180 -0.954 1
1 465 . 3 1 1 A 44 44 ASP N N 44 119.756 118.337 1.419 1
1 466 . 3 1 1 A 45 45 ARG H H 45 7.979 8.123 -0.144 1
1 467 . 3 1 1 A 45 45 ARG HA H 45 4.058 4.134 -0.076 1
1 475 . 3 1 1 A 45 45 ARG C C 45 179.249 178.633 0.616 1
1 476 . 3 1 1 A 45 45 ARG CA C 45 59.629 58.497 1.132 1
1 477 . 3 1 1 A 45 45 ARG CB C 45 30.553 29.582 0.971 1
1 480 . 3 1 1 A 45 45 ARG N N 45 123.029 119.955 3.074 1
1 482 . 3 1 1 A 46 46 LEU H H 46 8.943 8.206 0.737 1
1 483 . 3 1 1 A 46 46 LEU HA H 46 3.922 4.173 -0.251 1
1 493 . 3 1 1 A 46 46 LEU C C 46 180.973 178.987 1.986 1
1 494 . 3 1 1 A 46 46 LEU CA C 46 57.885 57.891 -0.006 1
1 495 . 3 1 1 A 46 46 LEU CB C 46 42.943 41.156 1.787 1
1 499 . 3 1 1 A 46 46 LEU N N 46 118.282 119.787 -1.505 1
1 500 . 3 1 1 A 47 47 ARG H H 47 8.421 8.611 -0.190 1
1 501 . 3 1 1 A 47 47 ARG HA H 47 4.050 3.956 0.094 1
1 508 . 3 1 1 A 47 47 ARG C C 47 178.760 178.592 0.168 1
1 509 . 3 1 1 A 47 47 ARG CA C 47 60.366 59.534 0.832 1
1 510 . 3 1 1 A 47 47 ARG CB C 47 29.957 30.045 -0.088 1
1 513 . 3 1 1 A 47 47 ARG N N 47 125.416 117.493 7.923 1
1 514 . 3 1 1 A 48 48 VAL H H 48 7.626 7.635 -0.009 1
1 515 . 3 1 1 A 48 48 VAL HA H 48 3.700 3.722 -0.022 1
1 523 . 3 1 1 A 48 48 VAL C C 48 178.628 177.750 0.878 1
1 524 . 3 1 1 A 48 48 VAL CA C 48 66.325 64.975 1.350 1
1 525 . 3 1 1 A 48 48 VAL CB C 48 31.902 31.223 0.679 1
1 528 . 3 1 1 A 48 48 VAL N N 48 119.769 119.633 0.136 1
1 529 . 3 1 1 A 49 49 GLU H H 49 8.419 8.443 -0.024 1
1 530 . 3 1 1 A 49 49 GLU HA H 49 4.202 3.996 0.206 1
1 534 . 3 1 1 A 49 49 GLU C C 49 178.866 178.666 0.200 1
1 535 . 3 1 1 A 49 49 GLU CA C 49 59.062 59.350 -0.288 1
1 536 . 3 1 1 A 49 49 GLU CB C 49 30.950 29.492 1.458 1
1 538 . 3 1 1 A 49 49 GLU N N 49 116.074 121.689 -5.615 1
1 539 . 3 1 1 A 50 50 THR H H 50 8.436 8.253 0.183 1
1 540 . 3 1 1 A 50 50 THR HA H 50 4.335 4.243 0.092 1
1 545 . 3 1 1 A 50 50 THR C C 50 175.412 174.304 1.108 1
1 546 . 3 1 1 A 50 50 THR CA C 50 63.447 62.467 0.980 1
1 547 . 3 1 1 A 50 50 THR CB C 50 71.702 69.524 2.178 1
1 549 . 3 1 1 A 50 50 THR N N 50 105.198 110.463 -5.265 1
1 550 . 3 1 1 A 51 51 LYS H H 51 7.745 7.887 -0.142 1
1 551 . 3 1 1 A 51 51 LYS HA H 51 4.032 3.793 0.239 1
1 559 . 3 1 1 A 51 51 LYS C C 51 175.949 174.649 1.300 1
1 560 . 3 1 1 A 51 51 LYS CA C 51 58.428 57.322 1.106 1
1 561 . 3 1 1 A 51 51 LYS CB C 51 29.225 29.211 0.014 1
1 565 . 3 1 1 A 51 51 LYS N N 51 114.904 116.823 -1.919 1
1 566 . 3 1 1 A 52 52 LEU H H 52 7.679 7.876 -0.197 1
1 567 . 3 1 1 A 52 52 LEU HA H 52 4.519 4.936 -0.417 1
1 577 . 3 1 1 A 52 52 LEU C C 52 176.301 175.855 0.446 1
1 578 . 3 1 1 A 52 52 LEU CA C 52 53.820 53.201 0.619 1
1 579 . 3 1 1 A 52 52 LEU CB C 52 43.987 45.275 -1.288 1
1 583 . 3 1 1 A 52 52 LEU N N 52 120.156 118.866 1.290 1
1 584 . 3 1 1 A 53 53 SER H H 53 8.599 8.860 -0.261 1
1 585 . 3 1 1 A 53 53 SER HA H 53 4.454 4.665 -0.211 1
1 588 . 3 1 1 A 53 53 SER C C 53 175.265 175.739 -0.474 1
1 589 . 3 1 1 A 53 53 SER CA C 53 57.586 57.156 0.430 1
1 590 . 3 1 1 A 53 53 SER CB C 53 65.402 64.866 0.536 1
1 591 . 3 1 1 A 53 53 SER N N 53 114.483 117.223 -2.740 1
1 592 . 3 1 1 A 54 54 ARG H H 54 9.030 8.893 0.137 1
1 593 . 3 1 1 A 54 54 ARG HA H 54 3.925 3.931 -0.006 1
1 599 . 3 1 1 A 54 54 ARG C C 54 178.621 178.312 0.309 1
1 600 . 3 1 1 A 54 54 ARG CA C 54 59.660 60.120 -0.460 1
1 601 . 3 1 1 A 54 54 ARG CB C 54 29.594 30.018 -0.424 1
1 604 . 3 1 1 A 54 54 ARG N N 54 121.039 124.156 -3.117 1
1 605 . 3 1 1 A 55 55 ARG H H 55 8.472 8.004 0.468 1
1 606 . 3 1 1 A 55 55 ARG HA H 55 4.253 4.109 0.144 1
1 611 . 3 1 1 A 55 55 ARG C C 55 179.367 179.053 0.314 1
1 612 . 3 1 1 A 55 55 ARG CA C 55 59.387 59.369 0.018 1
1 613 . 3 1 1 A 55 55 ARG CB C 55 30.068 30.095 -0.027 1
1 616 . 3 1 1 A 55 55 ARG N N 55 117.655 119.000 -1.345 1
1 617 . 3 1 1 A 56 56 GLU H H 56 7.849 8.288 -0.439 1
1 618 . 3 1 1 A 56 56 GLU HA H 56 3.909 4.051 -0.142 1
1 622 . 3 1 1 A 56 56 GLU C C 56 179.885 179.625 0.260 1
1 623 . 3 1 1 A 56 56 GLU CA C 56 59.421 59.358 0.063 1
1 624 . 3 1 1 A 56 56 GLU CB C 56 30.907 29.354 1.553 1
1 626 . 3 1 1 A 56 56 GLU N N 56 119.916 119.621 0.295 1
1 627 . 3 1 1 A 57 57 ILE H H 57 8.254 7.830 0.424 1
1 628 . 3 1 1 A 57 57 ILE HA H 57 3.732 3.755 -0.023 1
1 638 . 3 1 1 A 57 57 ILE C C 57 177.586 177.796 -0.210 1
1 639 . 3 1 1 A 57 57 ILE CA C 57 66.553 65.697 0.856 1
1 640 . 3 1 1 A 57 57 ILE CB C 57 38.596 38.203 0.393 1
1 644 . 3 1 1 A 57 57 ILE N N 57 122.354 121.066 1.288 1
1 645 . 3 1 1 A 58 58 ASP H H 58 8.899 8.545 0.354 1
1 646 . 3 1 1 A 58 58 ASP HA H 58 4.621 4.313 0.308 1
1 649 . 3 1 1 A 58 58 ASP C C 58 180.161 179.047 1.114 1
1 650 . 3 1 1 A 58 58 ASP CA C 58 58.114 57.823 0.291 1
1 651 . 3 1 1 A 58 58 ASP CB C 58 40.817 40.497 0.320 1
1 652 . 3 1 1 A 58 58 ASP N N 58 121.029 120.906 0.123 1
1 653 . 3 1 1 A 59 59 SER H H 59 8.321 8.342 -0.021 1
1 654 . 3 1 1 A 59 59 SER HA H 59 4.371 4.296 0.075 1
1 656 . 3 1 1 A 59 59 SER C C 59 176.017 177.057 -1.040 1
1 657 . 3 1 1 A 59 59 SER CA C 59 61.870 61.442 0.428 1
1 658 . 3 1 1 A 59 59 SER CB C 59 63.076 62.796 0.280 1
1 659 . 3 1 1 A 59 59 SER N N 59 114.708 114.854 -0.146 1
1 660 . 3 1 1 A 60 60 TRP H H 60 8.209 8.156 0.053 1
1 661 . 3 1 1 A 60 60 TRP HA H 60 4.019 4.422 -0.403 1
1 670 . 3 1 1 A 60 60 TRP C C 60 179.214 178.383 0.831 1
1 671 . 3 1 1 A 60 60 TRP CA C 60 62.981 61.376 1.605 1
1 672 . 3 1 1 A 60 60 TRP CB C 60 28.693 30.493 -1.800 1
1 678 . 3 1 1 A 60 60 TRP N N 60 123.289 124.059 -0.770 1
1 680 . 3 1 1 A 61 61 PHE H H 61 8.941 8.624 0.317 1
1 681 . 3 1 1 A 61 61 PHE HA H 61 3.798 4.363 -0.565 1
1 689 . 3 1 1 A 61 61 PHE C C 61 178.097 178.060 0.037 1
1 690 . 3 1 1 A 61 61 PHE CA C 61 63.866 62.045 1.821 1
1 691 . 3 1 1 A 61 61 PHE CB C 61 39.642 38.730 0.912 1
1 697 . 3 1 1 A 61 61 PHE N N 61 118.838 118.152 0.686 1
1 698 . 3 1 1 A 62 62 SER H H 62 8.179 8.438 -0.259 1
1 699 . 3 1 1 A 62 62 SER HA H 62 4.134 4.128 0.006 1
1 702 . 3 1 1 A 62 62 SER C C 62 177.996 176.997 0.999 1
1 703 . 3 1 1 A 62 62 SER CA C 62 62.064 61.725 0.339 1
1 704 . 3 1 1 A 62 62 SER CB C 62 62.890 63.075 -0.185 1
1 705 . 3 1 1 A 62 62 SER N N 62 113.145 114.672 -1.527 1
1 706 . 3 1 1 A 63 63 GLU H H 63 8.027 7.726 0.301 1
1 707 . 3 1 1 A 63 63 GLU HA H 63 3.910 4.130 -0.220 1
1 711 . 3 1 1 A 63 63 GLU C C 63 178.729 178.824 -0.095 1
1 712 . 3 1 1 A 63 63 GLU CA C 63 58.637 58.938 -0.301 1
1 713 . 3 1 1 A 63 63 GLU CB C 63 29.188 29.646 -0.458 1
1 715 . 3 1 1 A 63 63 GLU N N 63 120.533 121.243 -0.710 1
1 716 . 3 1 1 A 64 64 ARG H H 64 8.166 8.065 0.101 1
1 717 . 3 1 1 A 64 64 ARG HA H 64 3.498 3.562 -0.064 1
1 725 . 3 1 1 A 64 64 ARG C C 64 179.466 178.820 0.646 1
1 726 . 3 1 1 A 64 64 ARG CA C 64 56.502 58.983 -2.481 1
1 727 . 3 1 1 A 64 64 ARG CB C 64 28.148 29.162 -1.014 1
1 730 . 3 1 1 A 64 64 ARG N N 64 122.505 120.511 1.994 1
1 732 . 3 1 1 A 65 65 ARG H H 65 8.002 8.362 -0.360 1
1 733 . 3 1 1 A 65 65 ARG HA H 65 4.086 4.268 -0.182 1
1 740 . 3 1 1 A 65 65 ARG C C 65 177.832 179.279 -1.447 1
1 741 . 3 1 1 A 65 65 ARG CA C 65 60.054 59.844 0.210 1
1 742 . 3 1 1 A 65 65 ARG CB C 65 31.425 30.290 1.135 1
1 745 . 3 1 1 A 65 65 ARG N N 65 117.887 118.288 -0.401 1
1 746 . 3 1 1 A 66 66 LYS H H 66 7.356 7.762 -0.406 1
1 747 . 3 1 1 A 66 66 LYS HA H 66 4.141 4.032 0.109 1
1 753 . 3 1 1 A 66 66 LYS C C 66 178.353 178.986 -0.633 1
1 754 . 3 1 1 A 66 66 LYS CA C 66 58.444 59.038 -0.594 1
1 755 . 3 1 1 A 66 66 LYS CB C 66 32.288 32.461 -0.173 1
1 759 . 3 1 1 A 66 66 LYS N N 66 118.479 119.535 -1.056 1
1 760 . 3 1 1 A 67 67 LEU H H 67 7.604 7.554 0.050 1
1 761 . 3 1 1 A 67 67 LEU HA H 67 4.143 3.826 0.317 1
1 771 . 3 1 1 A 67 67 LEU C C 67 178.510 178.612 -0.102 1
1 772 . 3 1 1 A 67 67 LEU CA C 67 56.712 57.815 -1.103 1
1 773 . 3 1 1 A 67 67 LEU CB C 67 41.857 41.569 0.288 1
1 777 . 3 1 1 A 67 67 LEU N N 67 120.424 119.427 0.997 1
1 778 . 3 1 1 A 68 68 ARG H H 68 7.914 7.783 0.131 1
1 779 . 3 1 1 A 68 68 ARG HA H 68 4.262 3.930 0.332 1
1 786 . 3 1 1 A 68 68 ARG C C 68 177.396 178.144 -0.748 1
1 787 . 3 1 1 A 68 68 ARG CA C 68 57.589 59.809 -2.220 1
1 788 . 3 1 1 A 68 68 ARG CB C 68 30.211 30.053 0.158 1
1 791 . 3 1 1 A 68 68 ARG N N 68 120.638 118.920 1.718 1
1 792 . 3 1 1 A 69 69 ASP H H 69 8.337 8.286 0.051 1
1 793 . 3 1 1 A 69 69 ASP HA H 69 4.592 4.376 0.216 1
1 796 . 3 1 1 A 69 69 ASP C C 69 176.826 177.581 -0.755 1
1 797 . 3 1 1 A 69 69 ASP CA C 69 55.527 57.743 -2.216 1
1 798 . 3 1 1 A 69 69 ASP CB C 69 40.833 41.712 -0.879 1
1 799 . 3 1 1 A 69 69 ASP N N 69 119.845 119.862 -0.017 1
1 800 . 3 1 1 A 70 70 SER H H 70 8.002 8.042 -0.040 1
1 801 . 3 1 1 A 70 70 SER HA H 70 4.473 4.250 0.223 1
1 804 . 3 1 1 A 70 70 SER C C 70 174.524 175.257 -0.733 1
1 805 . 3 1 1 A 70 70 SER CA C 70 59.070 58.691 0.379 1
1 806 . 3 1 1 A 70 70 SER CB C 70 63.887 64.144 -0.257 1
1 807 . 3 1 1 A 70 70 SER N N 70 114.740 114.929 -0.189 1
1 808 . 3 1 1 A 71 71 MET H H 71 8.117 8.757 -0.640 1
1 809 . 3 1 1 A 71 71 MET HA H 71 4.559 4.049 0.510 1
1 817 . 3 1 1 A 71 71 MET C C 71 175.392 175.302 0.090 1
1 818 . 3 1 1 A 71 71 MET CA C 71 55.711 56.368 -0.657 1
1 819 . 3 1 1 A 71 71 MET CB C 71 33.246 30.958 2.288 1
1 822 . 3 1 1 A 71 71 MET N N 71 121.694 119.905 1.789 1
1 823 . 3 1 1 A 72 72 GLU HA H 72 4.245 4.401 -0.156 1
1 827 . 3 1 1 A 72 72 GLU C C 72 177.767 175.575 2.192 1
1 828 . 3 1 1 A 72 72 GLU CA C 72 57.871 55.973 1.898 1
1 829 . 3 1 1 A 72 72 GLU CB C 72 29.798 30.370 -0.572 1
1 831 . 3 1 1 A 73 73 GLN H H 73 8.210 8.269 -0.059 1
1 832 . 3 1 1 A 73 73 GLN HA H 73 4.177 4.368 -0.191 1
1 836 . 3 1 1 A 73 73 GLN C C 73 176.422 175.743 0.679 1
1 837 . 3 1 1 A 73 73 GLN CA C 73 56.899 55.709 1.190 1
1 838 . 3 1 1 A 73 73 GLN CB C 73 28.852 28.695 0.157 1
1 840 . 3 1 1 A 73 73 GLN N N 73 120.076 121.969 -1.893 1
1 841 . 3 1 1 A 74 74 ALA H H 74 8.099 8.685 -0.586 1
1 842 . 3 1 1 A 74 74 ALA HA H 74 4.239 4.334 -0.095 1
1 846 . 3 1 1 A 74 74 ALA C C 74 178.960 177.653 1.307 1
1 847 . 3 1 1 A 74 74 ALA CA C 74 53.837 54.048 -0.211 1
1 848 . 3 1 1 A 74 74 ALA CB C 74 18.794 19.507 -0.713 1
1 849 . 3 1 1 A 74 74 ALA N N 74 123.168 130.429 -7.261 1
1 850 . 3 1 1 A 75 75 VAL H H 75 7.886 7.596 0.290 1
1 851 . 3 1 1 A 75 75 VAL HA H 75 3.985 4.054 -0.069 1
1 859 . 3 1 1 A 75 75 VAL C C 75 177.376 175.324 2.052 1
1 860 . 3 1 1 A 75 75 VAL CA C 75 63.895 62.501 1.394 1
1 861 . 3 1 1 A 75 75 VAL CB C 75 32.450 32.370 0.080 1
1 864 . 3 1 1 A 75 75 VAL N N 75 119.018 118.461 0.557 1
1 865 . 3 1 1 A 76 76 LEU H H 76 8.074 8.824 -0.750 1
1 866 . 3 1 1 A 76 76 LEU HA H 76 4.291 4.847 -0.556 1
1 876 . 3 1 1 A 76 76 LEU C C 76 178.363 175.274 3.089 1
1 877 . 3 1 1 A 76 76 LEU CA C 76 56.247 53.876 2.371 1
1 878 . 3 1 1 A 76 76 LEU CB C 76 42.342 45.270 -2.928 1
1 882 . 3 1 1 A 76 76 LEU N N 76 124.324 128.486 -4.162 1
1 883 . 3 1 1 A 77 77 ASP H H 77 8.443 8.793 -0.350 1
1 884 . 3 1 1 A 77 77 ASP HA H 77 4.593 4.566 0.027 1
1 887 . 3 1 1 A 77 77 ASP C C 77 177.224 176.103 1.121 1
1 888 . 3 1 1 A 77 77 ASP CA C 77 55.364 55.180 0.184 1
1 889 . 3 1 1 A 77 77 ASP CB C 77 40.970 40.745 0.225 1
1 890 . 3 1 1 A 77 77 ASP N N 77 120.595 126.727 -6.132 1
1 891 . 3 1 1 A 78 78 SER H H 78 8.121 9.008 -0.887 1
1 892 . 3 1 1 A 78 78 SER HA H 78 4.421 4.375 0.046 1
1 894 . 3 1 1 A 78 78 SER C C 78 175.244 174.314 0.930 1
1 895 . 3 1 1 A 78 78 SER CA C 78 58.809 61.079 -2.270 1
1 896 . 3 1 1 A 78 78 SER CB C 78 63.674 63.559 0.115 1
1 897 . 3 1 1 A 78 78 SER N N 78 115.700 119.626 -3.926 1
1 898 . 3 1 1 A 79 79 MET H H 79 8.202 8.052 0.150 1
1 899 . 3 1 1 A 79 79 MET HA H 79 4.525 4.076 0.449 1
1 903 . 3 1 1 A 79 79 MET C C 79 177.199 175.426 1.773 1
1 904 . 3 1 1 A 79 79 MET CA C 79 56.010 56.975 -0.965 1
1 905 . 3 1 1 A 79 79 MET CB C 79 32.610 30.798 1.812 1
1 907 . 3 1 1 A 79 79 MET N N 79 121.204 119.244 1.960 1
1 908 . 3 1 1 A 80 80 GLY H H 80 8.268 8.143 0.125 1
1 909 . 3 1 1 A 80 80 GLY C C 80 174.529 173.174 1.355 1
1 910 . 3 1 1 A 80 80 GLY CA C 80 45.637 44.447 1.190 1
1 911 . 3 1 1 A 80 80 GLY N N 80 109.108 107.020 2.088 1
1 912 . 3 1 1 A 81 81 SER HA H 81 4.478 4.348 0.130 1
1 915 . 3 1 1 A 81 81 SER C C 81 175.336 174.437 0.899 1
1 916 . 3 1 1 A 81 81 SER CA C 81 58.701 59.467 -0.766 1
1 917 . 3 1 1 A 81 81 SER CB C 81 63.977 63.009 0.968 1
1 918 . 3 1 1 A 82 82 GLY H H 82 8.526 8.639 -0.113 1
1 919 . 3 1 1 A 82 82 GLY HA2 H 82 4.018 4.122 -0.104 1
1 920 . 3 1 1 A 82 82 GLY HA3 H 82 4.018 4.122 -0.104 1
1 921 . 3 1 1 A 82 82 GLY C C 82 174.290 172.668 1.622 1
1 922 . 3 1 1 A 82 82 GLY CA C 82 45.485 44.031 1.454 1
1 923 . 3 1 1 A 82 82 GLY N N 82 110.928 109.662 1.266 1
1 924 . 3 1 1 A 83 83 LYS H H 83 8.159 8.449 -0.290 1
1 925 . 3 1 1 A 83 83 LYS C C 83 176.692 174.944 1.748 1
1 926 . 3 1 1 A 83 83 LYS CA C 83 56.216 55.282 0.934 1
1 927 . 3 1 1 A 83 83 LYS CB C 83 33.201 34.048 -0.847 1
1 928 . 3 1 1 A 83 83 LYS N N 83 120.759 121.501 -0.742 1
1 929 . 3 1 1 A 88 88 SER HA H 88 4.509 4.393 0.116 1
1 932 . 3 1 1 A 88 88 SER C C 88 173.946 174.607 -0.661 1
1 933 . 3 1 1 A 88 88 SER CA C 88 58.432 60.542 -2.110 1
1 934 . 3 1 1 A 88 88 SER CB C 88 64.208 63.496 0.712 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.940 4.167 -0.227 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.940 4.167 -0.227 1
1 3 . 4 1 1 A 7 7 GLY C C 7 173.532 172.030 1.502 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.255 45.874 -0.619 1
1 5 . 4 1 1 A 8 8 ALA H H 8 8.010 8.945 -0.935 1
1 6 . 4 1 1 A 8 8 ALA HA H 8 4.259 5.298 -1.039 1
1 10 . 4 1 1 A 8 8 ALA C C 8 176.987 174.914 2.073 1
1 11 . 4 1 1 A 8 8 ALA CA C 8 52.334 50.859 1.475 1
1 12 . 4 1 1 A 8 8 ALA CB C 8 19.389 23.872 -4.483 1
1 13 . 4 1 1 A 8 8 ALA N N 8 123.317 126.685 -3.368 1
1 14 . 4 1 1 A 9 9 TYR H H 9 8.110 9.008 -0.898 1
1 15 . 4 1 1 A 9 9 TYR HA H 9 4.832 5.578 -0.746 1
1 22 . 4 1 1 A 9 9 TYR C C 9 174.112 174.054 0.058 1
1 23 . 4 1 1 A 9 9 TYR CA C 9 55.642 55.193 0.449 1
1 24 . 4 1 1 A 9 9 TYR CB C 9 38.292 41.078 -2.786 1
1 29 . 4 1 1 A 9 9 TYR N N 9 120.065 115.573 4.492 1
1 30 . 4 1 1 A 10 10 PRO HA H 10 4.377 4.484 -0.107 1
1 36 . 4 1 1 A 10 10 PRO C C 10 176.388 175.619 0.769 1
1 37 . 4 1 1 A 10 10 PRO CA C 10 63.332 62.246 1.086 1
1 38 . 4 1 1 A 10 10 PRO CB C 10 31.985 32.781 -0.796 1
1 41 . 4 1 1 A 11 11 ASP H H 11 8.249 8.387 -0.138 1
1 42 . 4 1 1 A 11 11 ASP HA H 11 4.537 5.421 -0.884 1
1 45 . 4 1 1 A 11 11 ASP C C 11 175.893 174.658 1.235 1
1 46 . 4 1 1 A 11 11 ASP CA C 11 54.410 52.191 2.219 1
1 47 . 4 1 1 A 11 11 ASP CB C 11 41.149 43.760 -2.611 1
1 48 . 4 1 1 A 11 11 ASP N N 11 119.884 117.437 2.447 1
1 49 . 4 1 1 A 12 12 PHE H H 12 8.028 8.655 -0.627 1
1 50 . 4 1 1 A 12 12 PHE HA H 12 4.616 5.131 -0.515 1
1 55 . 4 1 1 A 12 12 PHE C C 12 175.001 174.846 0.155 1
1 56 . 4 1 1 A 12 12 PHE CA C 12 57.417 56.094 1.323 1
1 57 . 4 1 1 A 12 12 PHE CB C 12 39.577 40.579 -1.002 1
1 60 . 4 1 1 A 12 12 PHE N N 12 119.972 116.922 3.050 1
1 61 . 4 1 1 A 13 13 ALA H H 13 8.118 8.667 -0.549 1
1 62 . 4 1 1 A 13 13 ALA HA H 13 4.570 4.707 -0.137 1
1 66 . 4 1 1 A 13 13 ALA C C 13 175.002 174.569 0.433 1
1 67 . 4 1 1 A 13 13 ALA CA C 13 50.500 49.501 0.999 1
1 68 . 4 1 1 A 13 13 ALA CB C 13 18.532 22.226 -3.694 1
1 69 . 4 1 1 A 13 13 ALA N N 13 126.968 123.666 3.302 1
1 70 . 4 1 1 A 14 14 PRO HA H 14 4.349 4.622 -0.273 1
1 76 . 4 1 1 A 14 14 PRO C C 14 177.054 175.294 1.760 1
1 77 . 4 1 1 A 14 14 PRO CA C 14 63.380 62.416 0.964 1
1 78 . 4 1 1 A 14 14 PRO CB C 14 31.960 33.214 -1.254 1
1 81 . 4 1 1 A 15 15 GLN H H 15 8.411 8.459 -0.048 1
1 82 . 4 1 1 A 15 15 GLN HA H 15 4.221 4.851 -0.630 1
1 88 . 4 1 1 A 15 15 GLN C C 15 175.815 174.620 1.195 1
1 89 . 4 1 1 A 15 15 GLN CA C 15 55.929 54.095 1.834 1
1 90 . 4 1 1 A 15 15 GLN CB C 15 29.270 33.283 -4.013 1
1 92 . 4 1 1 A 15 15 GLN N N 15 120.172 118.459 1.713 1
1 94 . 4 1 1 A 16 16 LYS H H 16 8.171 8.387 -0.216 1
1 95 . 4 1 1 A 16 16 LYS HA H 16 4.234 4.859 -0.625 1
1 102 . 4 1 1 A 16 16 LYS C C 16 176.196 176.641 -0.445 1
1 103 . 4 1 1 A 16 16 LYS CA C 16 56.236 54.986 1.250 1
1 104 . 4 1 1 A 16 16 LYS CB C 16 33.171 34.640 -1.469 1
1 108 . 4 1 1 A 16 16 LYS N N 16 122.238 121.566 0.672 1
1 109 . 4 1 1 A 17 17 PHE H H 17 8.257 8.907 -0.650 1
1 110 . 4 1 1 A 17 17 PHE HA H 17 4.715 5.171 -0.456 1
1 117 . 4 1 1 A 17 17 PHE C C 17 175.737 175.122 0.615 1
1 118 . 4 1 1 A 17 17 PHE CA C 17 57.341 55.529 1.812 1
1 119 . 4 1 1 A 17 17 PHE CB C 17 39.776 40.669 -0.893 1
1 124 . 4 1 1 A 17 17 PHE N N 17 121.572 118.560 3.012 1
1 125 . 4 1 1 A 18 18 LYS H H 18 8.411 8.889 -0.478 1
1 126 . 4 1 1 A 18 18 LYS HA H 18 4.285 4.740 -0.455 1
1 132 . 4 1 1 A 18 18 LYS C C 18 176.317 174.361 1.956 1
1 133 . 4 1 1 A 18 18 LYS CA C 18 56.146 54.434 1.712 1
1 134 . 4 1 1 A 18 18 LYS CB C 18 33.269 35.178 -1.909 1
1 138 . 4 1 1 A 18 18 LYS N N 18 123.072 119.595 3.477 1
1 139 . 4 1 1 A 19 19 GLU H H 19 8.494 8.595 -0.101 1
1 140 . 4 1 1 A 19 19 GLU HA H 19 4.243 4.504 -0.261 1
1 144 . 4 1 1 A 19 19 GLU C C 19 176.811 176.526 0.285 1
1 145 . 4 1 1 A 19 19 GLU CA C 19 56.916 55.965 0.951 1
1 146 . 4 1 1 A 19 19 GLU CB C 19 30.158 30.643 -0.485 1
1 148 . 4 1 1 A 19 19 GLU N N 19 123.032 122.118 0.914 1
1 149 . 4 1 1 A 20 20 LYS H H 20 8.530 8.520 0.010 1
1 150 . 4 1 1 A 20 20 LYS HA H 20 4.560 4.684 -0.124 1
1 159 . 4 1 1 A 20 20 LYS C C 20 177.491 177.335 0.156 1
1 160 . 4 1 1 A 20 20 LYS CA C 20 56.105 55.054 1.051 1
1 161 . 4 1 1 A 20 20 LYS CB C 20 34.248 33.828 0.420 1
1 165 . 4 1 1 A 20 20 LYS N N 20 123.545 123.818 -0.273 1
1 166 . 4 1 1 A 21 21 THR H H 21 8.868 8.517 0.351 1
1 167 . 4 1 1 A 21 21 THR HA H 21 4.448 4.354 0.094 1
1 172 . 4 1 1 A 21 21 THR C C 21 175.491 175.697 -0.206 1
1 173 . 4 1 1 A 21 21 THR CA C 21 60.686 63.396 -2.710 1
1 174 . 4 1 1 A 21 21 THR CB C 21 70.760 69.185 1.575 1
1 176 . 4 1 1 A 21 21 THR N N 21 113.437 116.955 -3.518 1
1 177 . 4 1 1 A 22 22 GLN H H 22 8.993 9.044 -0.051 1
1 178 . 4 1 1 A 22 22 GLN HA H 22 4.055 3.968 0.087 1
1 183 . 4 1 1 A 22 22 GLN C C 22 178.882 178.809 0.073 1
1 184 . 4 1 1 A 22 22 GLN CA C 22 58.899 59.483 -0.584 1
1 185 . 4 1 1 A 22 22 GLN CB C 22 28.366 28.812 -0.446 1
1 187 . 4 1 1 A 22 22 GLN N N 22 120.458 126.232 -5.774 1
1 188 . 4 1 1 A 23 23 GLY H H 23 8.580 8.506 0.074 1
1 189 . 4 1 1 A 23 23 GLY HA2 H 23 3.843 3.712 0.131 1
1 190 . 4 1 1 A 23 23 GLY HA3 H 23 3.843 3.712 0.131 1
1 191 . 4 1 1 A 23 23 GLY C C 23 176.518 175.826 0.692 1
1 192 . 4 1 1 A 23 23 GLY CA C 23 46.750 47.430 -0.680 1
1 193 . 4 1 1 A 23 23 GLY N N 23 107.047 107.376 -0.329 1
1 194 . 4 1 1 A 24 24 GLN H H 24 7.771 7.811 -0.040 1
1 195 . 4 1 1 A 24 24 GLN HA H 24 3.844 3.958 -0.114 1
1 202 . 4 1 1 A 24 24 GLN C C 24 177.564 178.278 -0.714 1
1 203 . 4 1 1 A 24 24 GLN CA C 24 59.397 58.689 0.708 1
1 204 . 4 1 1 A 24 24 GLN CB C 24 29.250 28.405 0.845 1
1 206 . 4 1 1 A 24 24 GLN N N 24 120.555 121.049 -0.494 1
1 208 . 4 1 1 A 25 25 VAL H H 25 8.029 8.061 -0.032 1
1 209 . 4 1 1 A 25 25 VAL HA H 25 3.163 3.257 -0.094 1
1 217 . 4 1 1 A 25 25 VAL C C 25 176.630 177.766 -1.136 1
1 218 . 4 1 1 A 25 25 VAL CA C 25 66.856 66.561 0.295 1
1 219 . 4 1 1 A 25 25 VAL CB C 25 31.543 31.436 0.107 1
1 222 . 4 1 1 A 25 25 VAL N N 25 117.187 120.245 -3.058 1
1 223 . 4 1 1 A 26 26 LYS H H 26 7.924 8.245 -0.321 1
1 224 . 4 1 1 A 26 26 LYS HA H 26 3.995 3.903 0.092 1
1 230 . 4 1 1 A 26 26 LYS C C 26 178.199 178.530 -0.331 1
1 231 . 4 1 1 A 26 26 LYS CA C 26 59.506 59.925 -0.419 1
1 232 . 4 1 1 A 26 26 LYS CB C 26 32.209 32.062 0.147 1
1 236 . 4 1 1 A 26 26 LYS N N 26 119.341 120.160 -0.819 1
1 237 . 4 1 1 A 27 27 ILE H H 27 7.033 7.767 -0.734 1
1 238 . 4 1 1 A 27 27 ILE HA H 27 3.706 3.659 0.047 1
1 248 . 4 1 1 A 27 27 ILE C C 27 179.280 179.000 0.280 1
1 249 . 4 1 1 A 27 27 ILE CA C 27 64.803 64.843 -0.040 1
1 250 . 4 1 1 A 27 27 ILE CB C 27 38.361 37.275 1.086 1
1 254 . 4 1 1 A 27 27 ILE N N 27 117.901 120.436 -2.535 1
1 255 . 4 1 1 A 28 28 LEU H H 28 7.400 7.666 -0.266 1
1 256 . 4 1 1 A 28 28 LEU HA H 28 3.563 4.037 -0.474 1
1 266 . 4 1 1 A 28 28 LEU C C 28 177.369 178.638 -1.269 1
1 267 . 4 1 1 A 28 28 LEU CA C 28 58.256 57.894 0.362 1
1 268 . 4 1 1 A 28 28 LEU CB C 28 37.957 40.847 -2.890 1
1 272 . 4 1 1 A 28 28 LEU N N 28 121.290 120.694 0.596 1
1 273 . 4 1 1 A 29 29 GLU H H 29 8.880 8.689 0.191 1
1 274 . 4 1 1 A 29 29 GLU HA H 29 4.327 4.147 0.180 1
1 278 . 4 1 1 A 29 29 GLU C C 29 179.216 178.826 0.390 1
1 279 . 4 1 1 A 29 29 GLU CA C 29 59.430 60.013 -0.583 1
1 280 . 4 1 1 A 29 29 GLU CB C 29 29.276 29.250 0.026 1
1 282 . 4 1 1 A 29 29 GLU N N 29 120.487 117.879 2.608 1
1 283 . 4 1 1 A 30 30 ASP H H 30 8.313 8.399 -0.086 1
1 284 . 4 1 1 A 30 30 ASP HA H 30 4.422 4.407 0.015 1
1 287 . 4 1 1 A 30 30 ASP C C 30 179.036 178.638 0.398 1
1 288 . 4 1 1 A 30 30 ASP CA C 30 57.388 57.741 -0.353 1
1 289 . 4 1 1 A 30 30 ASP CB C 30 40.547 42.210 -1.663 1
1 290 . 4 1 1 A 30 30 ASP N N 30 118.471 120.214 -1.743 1
1 291 . 4 1 1 A 31 31 SER H H 31 7.406 7.910 -0.504 1
1 292 . 4 1 1 A 31 31 SER HA H 31 4.290 4.184 0.106 1
1 295 . 4 1 1 A 31 31 SER C C 31 177.290 176.011 1.279 1
1 296 . 4 1 1 A 31 31 SER CA C 31 61.575 62.457 -0.882 1
1 297 . 4 1 1 A 31 31 SER CB C 31 63.167 63.455 -0.288 1
1 298 . 4 1 1 A 31 31 SER N N 31 113.187 116.858 -3.671 1
1 299 . 4 1 1 A 32 32 PHE H H 32 9.117 8.749 0.368 1
1 300 . 4 1 1 A 32 32 PHE HA H 32 4.369 4.173 0.196 1
1 308 . 4 1 1 A 32 32 PHE C C 32 176.545 177.165 -0.620 1
1 309 . 4 1 1 A 32 32 PHE CA C 32 61.569 61.779 -0.210 1
1 310 . 4 1 1 A 32 32 PHE CB C 32 39.362 39.062 0.300 1
1 316 . 4 1 1 A 32 32 PHE N N 32 121.840 122.705 -0.865 1
1 317 . 4 1 1 A 33 33 LEU H H 33 8.235 8.717 -0.482 1
1 318 . 4 1 1 A 33 33 LEU HA H 33 3.965 4.064 -0.099 1
1 328 . 4 1 1 A 33 33 LEU C C 33 179.575 179.173 0.402 1
1 329 . 4 1 1 A 33 33 LEU CA C 33 56.998 58.373 -1.375 1
1 330 . 4 1 1 A 33 33 LEU CB C 33 42.053 41.886 0.167 1
1 334 . 4 1 1 A 33 33 LEU N N 33 115.363 120.045 -4.682 1
1 335 . 4 1 1 A 34 34 LYS H H 34 7.509 7.502 0.007 1
1 336 . 4 1 1 A 34 34 LYS HA H 34 4.174 4.203 -0.029 1
1 343 . 4 1 1 A 34 34 LYS C C 34 178.190 176.459 1.731 1
1 344 . 4 1 1 A 34 34 LYS CA C 34 58.819 58.382 0.437 1
1 345 . 4 1 1 A 34 34 LYS CB C 34 32.352 33.178 -0.826 1
1 349 . 4 1 1 A 34 34 LYS N N 34 119.688 117.130 2.558 1
1 350 . 4 1 1 A 35 35 SER H H 35 8.130 8.101 0.029 1
1 351 . 4 1 1 A 35 35 SER HA H 35 4.379 4.759 -0.380 1
1 354 . 4 1 1 A 35 35 SER C C 35 174.000 173.944 0.056 1
1 355 . 4 1 1 A 35 35 SER CA C 35 58.202 57.833 0.369 1
1 356 . 4 1 1 A 35 35 SER CB C 35 64.375 65.072 -0.697 1
1 357 . 4 1 1 A 35 35 SER N N 35 112.275 115.062 -2.787 1
1 358 . 4 1 1 A 36 36 SER H H 36 8.404 8.724 -0.320 1
1 359 . 4 1 1 A 36 36 SER HA H 36 3.952 2.647 1.305 1
1 362 . 4 1 1 A 36 36 SER C C 36 172.467 174.654 -2.187 1
1 363 . 4 1 1 A 36 36 SER CA C 36 59.127 61.522 -2.395 1
1 364 . 4 1 1 A 36 36 SER CB C 36 63.788 62.541 1.247 1
1 365 . 4 1 1 A 36 36 SER N N 36 121.307 121.161 0.146 1
1 366 . 4 1 1 A 37 37 PHE H H 37 7.735 8.069 -0.334 1
1 367 . 4 1 1 A 37 37 PHE HA H 37 4.859 4.986 -0.127 1
1 375 . 4 1 1 A 37 37 PHE C C 37 172.549 173.943 -1.394 1
1 376 . 4 1 1 A 37 37 PHE CA C 37 55.604 55.251 0.353 1
1 377 . 4 1 1 A 37 37 PHE CB C 37 39.842 38.913 0.929 1
1 383 . 4 1 1 A 37 37 PHE N N 37 118.373 119.672 -1.299 1
1 384 . 4 1 1 A 38 38 PRO HA H 38 4.391 4.672 -0.281 1
1 391 . 4 1 1 A 38 38 PRO C C 38 177.660 175.634 2.026 1
1 392 . 4 1 1 A 38 38 PRO CA C 38 62.193 62.404 -0.211 1
1 393 . 4 1 1 A 38 38 PRO CB C 38 31.490 33.072 -1.582 1
1 396 . 4 1 1 A 39 39 THR H H 39 7.809 8.421 -0.612 1
1 397 . 4 1 1 A 39 39 THR HA H 39 4.322 4.777 -0.455 1
1 402 . 4 1 1 A 39 39 THR C C 39 174.966 175.249 -0.283 1
1 403 . 4 1 1 A 39 39 THR CA C 39 60.648 59.850 0.798 1
1 404 . 4 1 1 A 39 39 THR CB C 39 71.192 71.180 0.012 1
1 406 . 4 1 1 A 39 39 THR N N 39 111.373 115.752 -4.379 1
1 407 . 4 1 1 A 40 40 GLN H H 40 8.880 9.106 -0.226 1
1 408 . 4 1 1 A 40 40 GLN HA H 40 3.907 3.968 -0.061 1
1 414 . 4 1 1 A 40 40 GLN C C 40 177.855 178.158 -0.303 1
1 415 . 4 1 1 A 40 40 GLN CA C 40 59.243 59.581 -0.338 1
1 416 . 4 1 1 A 40 40 GLN CB C 40 28.107 28.396 -0.289 1
1 418 . 4 1 1 A 40 40 GLN N N 40 120.143 126.419 -6.276 1
1 420 . 4 1 1 A 41 41 ALA H H 41 8.286 8.016 0.270 1
1 421 . 4 1 1 A 41 41 ALA HA H 41 4.212 4.069 0.143 1
1 425 . 4 1 1 A 41 41 ALA C C 41 180.741 179.251 1.490 1
1 426 . 4 1 1 A 41 41 ALA CA C 41 55.009 55.451 -0.442 1
1 427 . 4 1 1 A 41 41 ALA CB C 41 18.111 18.371 -0.260 1
1 428 . 4 1 1 A 41 41 ALA N N 41 119.773 122.313 -2.540 1
1 429 . 4 1 1 A 42 42 GLU H H 42 7.772 8.318 -0.546 1
1 430 . 4 1 1 A 42 42 GLU HA H 42 4.673 4.014 0.659 1
1 435 . 4 1 1 A 42 42 GLU C C 42 178.478 178.673 -0.195 1
1 436 . 4 1 1 A 42 42 GLU CA C 42 57.730 59.813 -2.083 1
1 437 . 4 1 1 A 42 42 GLU CB C 42 28.610 29.554 -0.944 1
1 439 . 4 1 1 A 42 42 GLU N N 42 122.141 118.533 3.608 1
1 440 . 4 1 1 A 43 43 LEU H H 43 8.472 8.258 0.214 1
1 441 . 4 1 1 A 43 43 LEU HA H 43 3.924 3.868 0.056 1
1 451 . 4 1 1 A 43 43 LEU C C 43 179.842 178.634 1.208 1
1 452 . 4 1 1 A 43 43 LEU CA C 43 58.828 57.672 1.156 1
1 453 . 4 1 1 A 43 43 LEU CB C 43 41.540 41.571 -0.031 1
1 457 . 4 1 1 A 43 43 LEU N N 43 121.542 120.655 0.887 1
1 458 . 4 1 1 A 44 44 ASP H H 44 8.384 7.972 0.412 1
1 459 . 4 1 1 A 44 44 ASP HA H 44 4.447 4.241 0.206 1
1 462 . 4 1 1 A 44 44 ASP C C 44 178.428 178.889 -0.461 1
1 463 . 4 1 1 A 44 44 ASP CA C 44 57.812 57.520 0.292 1
1 464 . 4 1 1 A 44 44 ASP CB C 44 40.226 41.025 -0.799 1
1 465 . 4 1 1 A 44 44 ASP N N 44 119.756 118.329 1.427 1
1 466 . 4 1 1 A 45 45 ARG H H 45 7.979 8.160 -0.181 1
1 467 . 4 1 1 A 45 45 ARG HA H 45 4.058 4.168 -0.110 1
1 475 . 4 1 1 A 45 45 ARG C C 45 179.249 178.837 0.412 1
1 476 . 4 1 1 A 45 45 ARG CA C 45 59.629 58.382 1.247 1
1 477 . 4 1 1 A 45 45 ARG CB C 45 30.553 29.573 0.980 1
1 480 . 4 1 1 A 45 45 ARG N N 45 123.029 120.178 2.851 1
1 482 . 4 1 1 A 46 46 LEU H H 46 8.943 8.476 0.467 1
1 483 . 4 1 1 A 46 46 LEU HA H 46 3.922 4.010 -0.088 1
1 493 . 4 1 1 A 46 46 LEU C C 46 180.973 179.044 1.929 1
1 494 . 4 1 1 A 46 46 LEU CA C 46 57.885 57.950 -0.065 1
1 495 . 4 1 1 A 46 46 LEU CB C 46 42.943 41.025 1.918 1
1 499 . 4 1 1 A 46 46 LEU N N 46 118.282 119.896 -1.614 1
1 500 . 4 1 1 A 47 47 ARG H H 47 8.421 8.520 -0.099 1
1 501 . 4 1 1 A 47 47 ARG HA H 47 4.050 4.031 0.019 1
1 508 . 4 1 1 A 47 47 ARG C C 47 178.760 178.464 0.296 1
1 509 . 4 1 1 A 47 47 ARG CA C 47 60.366 59.227 1.139 1
1 510 . 4 1 1 A 47 47 ARG CB C 47 29.957 29.953 0.004 1
1 513 . 4 1 1 A 47 47 ARG N N 47 125.416 117.930 7.486 1
1 514 . 4 1 1 A 48 48 VAL H H 48 7.626 7.764 -0.138 1
1 515 . 4 1 1 A 48 48 VAL HA H 48 3.700 3.723 -0.023 1
1 523 . 4 1 1 A 48 48 VAL C C 48 178.628 177.674 0.954 1
1 524 . 4 1 1 A 48 48 VAL CA C 48 66.325 64.972 1.353 1
1 525 . 4 1 1 A 48 48 VAL CB C 48 31.902 31.106 0.796 1
1 528 . 4 1 1 A 48 48 VAL N N 48 119.769 119.645 0.124 1
1 529 . 4 1 1 A 49 49 GLU H H 49 8.419 8.488 -0.069 1
1 530 . 4 1 1 A 49 49 GLU HA H 49 4.202 4.017 0.185 1
1 534 . 4 1 1 A 49 49 GLU C C 49 178.866 178.727 0.139 1
1 535 . 4 1 1 A 49 49 GLU CA C 49 59.062 59.281 -0.219 1
1 536 . 4 1 1 A 49 49 GLU CB C 49 30.950 29.520 1.430 1
1 538 . 4 1 1 A 49 49 GLU N N 49 116.074 121.226 -5.152 1
1 539 . 4 1 1 A 50 50 THR H H 50 8.436 8.045 0.391 1
1 540 . 4 1 1 A 50 50 THR HA H 50 4.335 4.240 0.095 1
1 545 . 4 1 1 A 50 50 THR C C 50 175.412 174.431 0.981 1
1 546 . 4 1 1 A 50 50 THR CA C 50 63.447 62.500 0.947 1
1 547 . 4 1 1 A 50 50 THR CB C 50 71.702 69.544 2.158 1
1 549 . 4 1 1 A 50 50 THR N N 50 105.198 110.471 -5.273 1
1 550 . 4 1 1 A 51 51 LYS H H 51 7.745 7.965 -0.220 1
1 551 . 4 1 1 A 51 51 LYS HA H 51 4.032 3.794 0.238 1
1 559 . 4 1 1 A 51 51 LYS C C 51 175.949 174.562 1.387 1
1 560 . 4 1 1 A 51 51 LYS CA C 51 58.428 57.320 1.108 1
1 561 . 4 1 1 A 51 51 LYS CB C 51 29.225 29.178 0.047 1
1 565 . 4 1 1 A 51 51 LYS N N 51 114.904 116.831 -1.927 1
1 566 . 4 1 1 A 52 52 LEU H H 52 7.679 7.872 -0.193 1
1 567 . 4 1 1 A 52 52 LEU HA H 52 4.519 4.904 -0.385 1
1 577 . 4 1 1 A 52 52 LEU C C 52 176.301 176.049 0.252 1
1 578 . 4 1 1 A 52 52 LEU CA C 52 53.820 53.219 0.601 1
1 579 . 4 1 1 A 52 52 LEU CB C 52 43.987 45.207 -1.220 1
1 583 . 4 1 1 A 52 52 LEU N N 52 120.156 118.706 1.450 1
1 584 . 4 1 1 A 53 53 SER H H 53 8.599 8.942 -0.343 1
1 585 . 4 1 1 A 53 53 SER HA H 53 4.454 4.617 -0.163 1
1 588 . 4 1 1 A 53 53 SER C C 53 175.265 175.931 -0.666 1
1 589 . 4 1 1 A 53 53 SER CA C 53 57.586 57.454 0.132 1
1 590 . 4 1 1 A 53 53 SER CB C 53 65.402 64.422 0.980 1
1 591 . 4 1 1 A 53 53 SER N N 53 114.483 117.838 -3.355 1
1 592 . 4 1 1 A 54 54 ARG H H 54 9.030 8.918 0.112 1
1 593 . 4 1 1 A 54 54 ARG HA H 54 3.925 3.904 0.021 1
1 599 . 4 1 1 A 54 54 ARG C C 54 178.621 178.472 0.149 1
1 600 . 4 1 1 A 54 54 ARG CA C 54 59.660 60.119 -0.459 1
1 601 . 4 1 1 A 54 54 ARG CB C 54 29.594 29.964 -0.370 1
1 604 . 4 1 1 A 54 54 ARG N N 54 121.039 124.332 -3.293 1
1 605 . 4 1 1 A 55 55 ARG H H 55 8.472 7.938 0.534 1
1 606 . 4 1 1 A 55 55 ARG HA H 55 4.253 4.070 0.183 1
1 611 . 4 1 1 A 55 55 ARG C C 55 179.367 179.028 0.339 1
1 612 . 4 1 1 A 55 55 ARG CA C 55 59.387 59.335 0.052 1
1 613 . 4 1 1 A 55 55 ARG CB C 55 30.068 30.076 -0.008 1
1 616 . 4 1 1 A 55 55 ARG N N 55 117.655 119.067 -1.412 1
1 617 . 4 1 1 A 56 56 GLU H H 56 7.849 8.334 -0.485 1
1 618 . 4 1 1 A 56 56 GLU HA H 56 3.909 4.027 -0.118 1
1 622 . 4 1 1 A 56 56 GLU C C 56 179.885 179.417 0.468 1
1 623 . 4 1 1 A 56 56 GLU CA C 56 59.421 59.544 -0.123 1
1 624 . 4 1 1 A 56 56 GLU CB C 56 30.907 29.323 1.584 1
1 626 . 4 1 1 A 56 56 GLU N N 56 119.916 119.363 0.553 1
1 627 . 4 1 1 A 57 57 ILE H H 57 8.254 7.709 0.545 1
1 628 . 4 1 1 A 57 57 ILE HA H 57 3.732 3.781 -0.049 1
1 638 . 4 1 1 A 57 57 ILE C C 57 177.586 177.847 -0.261 1
1 639 . 4 1 1 A 57 57 ILE CA C 57 66.553 65.514 1.039 1
1 640 . 4 1 1 A 57 57 ILE CB C 57 38.596 37.894 0.702 1
1 644 . 4 1 1 A 57 57 ILE N N 57 122.354 120.765 1.589 1
1 645 . 4 1 1 A 58 58 ASP H H 58 8.899 8.586 0.313 1
1 646 . 4 1 1 A 58 58 ASP HA H 58 4.621 4.277 0.344 1
1 649 . 4 1 1 A 58 58 ASP C C 58 180.161 178.235 1.926 1
1 650 . 4 1 1 A 58 58 ASP CA C 58 58.114 57.574 0.540 1
1 651 . 4 1 1 A 58 58 ASP CB C 58 40.817 40.889 -0.072 1
1 652 . 4 1 1 A 58 58 ASP N N 58 121.029 121.012 0.017 1
1 653 . 4 1 1 A 59 59 SER H H 59 8.321 8.112 0.209 1
1 654 . 4 1 1 A 59 59 SER HA H 59 4.371 4.249 0.122 1
1 656 . 4 1 1 A 59 59 SER C C 59 176.017 176.925 -0.908 1
1 657 . 4 1 1 A 59 59 SER CA C 59 61.870 61.406 0.464 1
1 658 . 4 1 1 A 59 59 SER CB C 59 63.076 63.140 -0.064 1
1 659 . 4 1 1 A 59 59 SER N N 59 114.708 113.558 1.150 1
1 660 . 4 1 1 A 60 60 TRP H H 60 8.209 7.930 0.279 1
1 661 . 4 1 1 A 60 60 TRP HA H 60 4.019 4.590 -0.571 1
1 670 . 4 1 1 A 60 60 TRP C C 60 179.214 178.600 0.614 1
1 671 . 4 1 1 A 60 60 TRP CA C 60 62.981 61.754 1.227 1
1 672 . 4 1 1 A 60 60 TRP CB C 60 28.693 29.371 -0.678 1
1 678 . 4 1 1 A 60 60 TRP N N 60 123.289 123.808 -0.519 1
1 680 . 4 1 1 A 61 61 PHE H H 61 8.941 8.748 0.193 1
1 681 . 4 1 1 A 61 61 PHE HA H 61 3.798 4.259 -0.461 1
1 689 . 4 1 1 A 61 61 PHE C C 61 178.097 178.043 0.054 1
1 690 . 4 1 1 A 61 61 PHE CA C 61 63.866 61.316 2.550 1
1 691 . 4 1 1 A 61 61 PHE CB C 61 39.642 38.737 0.905 1
1 697 . 4 1 1 A 61 61 PHE N N 61 118.838 118.380 0.458 1
1 698 . 4 1 1 A 62 62 SER H H 62 8.179 8.780 -0.601 1
1 699 . 4 1 1 A 62 62 SER HA H 62 4.134 4.107 0.027 1
1 702 . 4 1 1 A 62 62 SER C C 62 177.996 177.198 0.798 1
1 703 . 4 1 1 A 62 62 SER CA C 62 62.064 61.658 0.406 1
1 704 . 4 1 1 A 62 62 SER CB C 62 62.890 63.048 -0.158 1
1 705 . 4 1 1 A 62 62 SER N N 62 113.145 114.612 -1.467 1
1 706 . 4 1 1 A 63 63 GLU H H 63 8.027 7.884 0.143 1
1 707 . 4 1 1 A 63 63 GLU HA H 63 3.910 4.018 -0.108 1
1 711 . 4 1 1 A 63 63 GLU C C 63 178.729 178.228 0.501 1
1 712 . 4 1 1 A 63 63 GLU CA C 63 58.637 59.196 -0.559 1
1 713 . 4 1 1 A 63 63 GLU CB C 63 29.188 29.497 -0.309 1
1 715 . 4 1 1 A 63 63 GLU N N 63 120.533 121.333 -0.800 1
1 716 . 4 1 1 A 64 64 ARG H H 64 8.166 7.624 0.542 1
1 717 . 4 1 1 A 64 64 ARG HA H 64 3.498 3.426 0.072 1
1 725 . 4 1 1 A 64 64 ARG C C 64 179.466 178.341 1.125 1
1 726 . 4 1 1 A 64 64 ARG CA C 64 56.502 58.775 -2.273 1
1 727 . 4 1 1 A 64 64 ARG CB C 64 28.148 28.957 -0.809 1
1 730 . 4 1 1 A 64 64 ARG N N 64 122.505 119.604 2.901 1
1 732 . 4 1 1 A 65 65 ARG H H 65 8.002 8.158 -0.156 1
1 733 . 4 1 1 A 65 65 ARG HA H 65 4.086 4.171 -0.085 1
1 740 . 4 1 1 A 65 65 ARG C C 65 177.832 178.975 -1.143 1
1 741 . 4 1 1 A 65 65 ARG CA C 65 60.054 59.877 0.177 1
1 742 . 4 1 1 A 65 65 ARG CB C 65 31.425 30.062 1.363 1
1 745 . 4 1 1 A 65 65 ARG N N 65 117.887 117.816 0.071 1
1 746 . 4 1 1 A 66 66 LYS H H 66 7.356 8.114 -0.758 1
1 747 . 4 1 1 A 66 66 LYS HA H 66 4.141 4.047 0.094 1
1 753 . 4 1 1 A 66 66 LYS C C 66 178.353 179.183 -0.830 1
1 754 . 4 1 1 A 66 66 LYS CA C 66 58.444 59.304 -0.860 1
1 755 . 4 1 1 A 66 66 LYS CB C 66 32.288 32.305 -0.017 1
1 759 . 4 1 1 A 66 66 LYS N N 66 118.479 119.539 -1.060 1
1 760 . 4 1 1 A 67 67 LEU H H 67 7.604 7.707 -0.103 1
1 761 . 4 1 1 A 67 67 LEU HA H 67 4.143 3.887 0.256 1
1 771 . 4 1 1 A 67 67 LEU C C 67 178.510 178.867 -0.357 1
1 772 . 4 1 1 A 67 67 LEU CA C 67 56.712 57.639 -0.927 1
1 773 . 4 1 1 A 67 67 LEU CB C 67 41.857 41.396 0.461 1
1 777 . 4 1 1 A 67 67 LEU N N 67 120.424 120.615 -0.191 1
1 778 . 4 1 1 A 68 68 ARG H H 68 7.914 8.252 -0.338 1
1 779 . 4 1 1 A 68 68 ARG HA H 68 4.262 3.819 0.443 1
1 786 . 4 1 1 A 68 68 ARG C C 68 177.396 178.598 -1.202 1
1 787 . 4 1 1 A 68 68 ARG CA C 68 57.589 59.822 -2.233 1
1 788 . 4 1 1 A 68 68 ARG CB C 68 30.211 30.067 0.144 1
1 791 . 4 1 1 A 68 68 ARG N N 68 120.638 118.700 1.938 1
1 792 . 4 1 1 A 69 69 ASP H H 69 8.337 8.107 0.230 1
1 793 . 4 1 1 A 69 69 ASP HA H 69 4.592 4.373 0.219 1
1 796 . 4 1 1 A 69 69 ASP C C 69 176.826 178.711 -1.885 1
1 797 . 4 1 1 A 69 69 ASP CA C 69 55.527 57.483 -1.956 1
1 798 . 4 1 1 A 69 69 ASP CB C 69 40.833 40.677 0.156 1
1 799 . 4 1 1 A 69 69 ASP N N 69 119.845 120.164 -0.319 1
1 800 . 4 1 1 A 70 70 SER H H 70 8.002 8.424 -0.422 1
1 801 . 4 1 1 A 70 70 SER HA H 70 4.473 4.111 0.362 1
1 804 . 4 1 1 A 70 70 SER C C 70 174.524 175.434 -0.910 1
1 805 . 4 1 1 A 70 70 SER CA C 70 59.070 62.077 -3.007 1
1 806 . 4 1 1 A 70 70 SER CB C 70 63.887 62.781 1.106 1
1 807 . 4 1 1 A 70 70 SER N N 70 114.740 115.298 -0.558 1
1 808 . 4 1 1 A 71 71 MET H H 71 8.117 7.565 0.552 1
1 809 . 4 1 1 A 71 71 MET HA H 71 4.559 4.415 0.144 1
1 817 . 4 1 1 A 71 71 MET C C 71 175.392 176.433 -1.041 1
1 818 . 4 1 1 A 71 71 MET CA C 71 55.711 54.683 1.028 1
1 819 . 4 1 1 A 71 71 MET CB C 71 33.246 32.304 0.942 1
1 822 . 4 1 1 A 71 71 MET N N 71 121.694 119.271 2.423 1
1 823 . 4 1 1 A 72 72 GLU HA H 72 4.245 4.545 -0.300 1
1 827 . 4 1 1 A 72 72 GLU C C 72 177.767 176.257 1.510 1
1 828 . 4 1 1 A 72 72 GLU CA C 72 57.871 55.060 2.811 1
1 829 . 4 1 1 A 72 72 GLU CB C 72 29.798 30.474 -0.676 1
1 831 . 4 1 1 A 73 73 GLN H H 73 8.210 8.588 -0.378 1
1 832 . 4 1 1 A 73 73 GLN HA H 73 4.177 4.856 -0.679 1
1 836 . 4 1 1 A 73 73 GLN C C 73 176.422 175.669 0.753 1
1 837 . 4 1 1 A 73 73 GLN CA C 73 56.899 54.224 2.675 1
1 838 . 4 1 1 A 73 73 GLN CB C 73 28.852 30.829 -1.977 1
1 840 . 4 1 1 A 73 73 GLN N N 73 120.076 120.134 -0.058 1
1 841 . 4 1 1 A 74 74 ALA H H 74 8.099 8.661 -0.562 1
1 842 . 4 1 1 A 74 74 ALA HA H 74 4.239 4.751 -0.512 1
1 846 . 4 1 1 A 74 74 ALA C C 74 178.960 176.015 2.945 1
1 847 . 4 1 1 A 74 74 ALA CA C 74 53.837 51.127 2.710 1
1 848 . 4 1 1 A 74 74 ALA CB C 74 18.794 20.594 -1.800 1
1 849 . 4 1 1 A 74 74 ALA N N 74 123.168 124.064 -0.896 1
1 850 . 4 1 1 A 75 75 VAL H H 75 7.886 8.624 -0.738 1
1 851 . 4 1 1 A 75 75 VAL HA H 75 3.985 4.833 -0.848 1
1 859 . 4 1 1 A 75 75 VAL C C 75 177.376 174.338 3.038 1
1 860 . 4 1 1 A 75 75 VAL CA C 75 63.895 59.548 4.347 1
1 861 . 4 1 1 A 75 75 VAL CB C 75 32.450 34.015 -1.565 1
1 864 . 4 1 1 A 75 75 VAL N N 75 119.018 119.807 -0.789 1
1 865 . 4 1 1 A 76 76 LEU H H 76 8.074 8.421 -0.347 1
1 866 . 4 1 1 A 76 76 LEU HA H 76 4.291 4.454 -0.163 1
1 876 . 4 1 1 A 76 76 LEU C C 76 178.363 176.268 2.095 1
1 877 . 4 1 1 A 76 76 LEU CA C 76 56.247 54.390 1.857 1
1 878 . 4 1 1 A 76 76 LEU CB C 76 42.342 42.914 -0.572 1
1 882 . 4 1 1 A 76 76 LEU N N 76 124.324 128.362 -4.038 1
1 883 . 4 1 1 A 77 77 ASP H H 77 8.443 8.415 0.028 1
1 884 . 4 1 1 A 77 77 ASP HA H 77 4.593 4.542 0.051 1
1 887 . 4 1 1 A 77 77 ASP C C 77 177.224 176.074 1.150 1
1 888 . 4 1 1 A 77 77 ASP CA C 77 55.364 55.069 0.295 1
1 889 . 4 1 1 A 77 77 ASP CB C 77 40.970 40.404 0.566 1
1 890 . 4 1 1 A 77 77 ASP N N 77 120.595 122.980 -2.385 1
1 891 . 4 1 1 A 78 78 SER H H 78 8.121 8.730 -0.609 1
1 892 . 4 1 1 A 78 78 SER HA H 78 4.421 5.168 -0.747 1
1 894 . 4 1 1 A 78 78 SER C C 78 175.244 172.450 2.794 1
1 895 . 4 1 1 A 78 78 SER CA C 78 58.809 56.596 2.213 1
1 896 . 4 1 1 A 78 78 SER CB C 78 63.674 65.594 -1.920 1
1 897 . 4 1 1 A 78 78 SER N N 78 115.700 118.905 -3.205 1
1 898 . 4 1 1 A 79 79 MET H H 79 8.202 8.840 -0.638 1
1 899 . 4 1 1 A 79 79 MET HA H 79 4.525 4.544 -0.019 1
1 903 . 4 1 1 A 79 79 MET C C 79 177.199 175.388 1.811 1
1 904 . 4 1 1 A 79 79 MET CA C 79 56.010 54.950 1.060 1
1 905 . 4 1 1 A 79 79 MET CB C 79 32.610 32.415 0.195 1
1 907 . 4 1 1 A 79 79 MET N N 79 121.204 125.117 -3.913 1
1 908 . 4 1 1 A 80 80 GLY H H 80 8.268 8.151 0.117 1
1 909 . 4 1 1 A 80 80 GLY C C 80 174.529 171.408 3.121 1
1 910 . 4 1 1 A 80 80 GLY CA C 80 45.637 46.056 -0.419 1
1 911 . 4 1 1 A 80 80 GLY N N 80 109.108 113.418 -4.310 1
1 912 . 4 1 1 A 81 81 SER HA H 81 4.478 5.391 -0.913 1
1 915 . 4 1 1 A 81 81 SER C C 81 175.336 172.930 2.406 1
1 916 . 4 1 1 A 81 81 SER CA C 81 58.701 56.679 2.022 1
1 917 . 4 1 1 A 81 81 SER CB C 81 63.977 66.766 -2.789 1
1 918 . 4 1 1 A 82 82 GLY H H 82 8.526 8.443 0.083 1
1 919 . 4 1 1 A 82 82 GLY HA2 H 82 4.018 4.166 -0.148 1
1 920 . 4 1 1 A 82 82 GLY HA3 H 82 4.018 4.167 -0.149 1
1 921 . 4 1 1 A 82 82 GLY C C 82 174.290 172.646 1.644 1
1 922 . 4 1 1 A 82 82 GLY CA C 82 45.485 44.487 0.998 1
1 923 . 4 1 1 A 82 82 GLY N N 82 110.928 112.483 -1.555 1
1 924 . 4 1 1 A 83 83 LYS H H 83 8.159 8.367 -0.208 1
1 925 . 4 1 1 A 83 83 LYS C C 83 176.692 175.798 0.894 1
1 926 . 4 1 1 A 83 83 LYS CA C 83 56.216 54.240 1.976 1
1 927 . 4 1 1 A 83 83 LYS CB C 83 33.201 35.160 -1.959 1
1 928 . 4 1 1 A 83 83 LYS N N 83 120.759 120.392 0.367 1
1 929 . 4 1 1 A 88 88 SER HA H 88 4.509 4.211 0.298 1
1 932 . 4 1 1 A 88 88 SER C C 88 173.946 175.314 -1.368 1
1 933 . 4 1 1 A 88 88 SER CA C 88 58.432 59.962 -1.530 1
1 934 . 4 1 1 A 88 88 SER CB C 88 64.208 64.254 -0.046 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.940 4.326 -0.386 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.940 4.372 -0.432 1
1 3 . 5 1 1 A 7 7 GLY C C 7 173.532 172.363 1.169 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.255 44.797 0.458 1
1 5 . 5 1 1 A 8 8 ALA H H 8 8.010 8.394 -0.384 1
1 6 . 5 1 1 A 8 8 ALA HA H 8 4.259 4.901 -0.642 1
1 10 . 5 1 1 A 8 8 ALA C C 8 176.987 175.370 1.617 1
1 11 . 5 1 1 A 8 8 ALA CA C 8 52.334 51.124 1.210 1
1 12 . 5 1 1 A 8 8 ALA CB C 8 19.389 22.808 -3.419 1
1 13 . 5 1 1 A 8 8 ALA N N 8 123.317 122.550 0.767 1
1 14 . 5 1 1 A 9 9 TYR H H 9 8.110 8.788 -0.678 1
1 15 . 5 1 1 A 9 9 TYR HA H 9 4.832 4.828 0.004 1
1 22 . 5 1 1 A 9 9 TYR C C 9 174.112 174.522 -0.410 1
1 23 . 5 1 1 A 9 9 TYR CA C 9 55.642 56.430 -0.788 1
1 24 . 5 1 1 A 9 9 TYR CB C 9 38.292 39.010 -0.718 1
1 29 . 5 1 1 A 9 9 TYR N N 9 120.065 121.166 -1.101 1
1 30 . 5 1 1 A 10 10 PRO HA H 10 4.377 4.699 -0.322 1
1 36 . 5 1 1 A 10 10 PRO C C 10 176.388 175.226 1.162 1
1 37 . 5 1 1 A 10 10 PRO CA C 10 63.332 62.462 0.870 1
1 38 . 5 1 1 A 10 10 PRO CB C 10 31.985 33.243 -1.258 1
1 41 . 5 1 1 A 11 11 ASP H H 11 8.249 8.808 -0.559 1
1 42 . 5 1 1 A 11 11 ASP HA H 11 4.537 4.926 -0.389 1
1 45 . 5 1 1 A 11 11 ASP C C 11 175.893 174.847 1.046 1
1 46 . 5 1 1 A 11 11 ASP CA C 11 54.410 53.668 0.742 1
1 47 . 5 1 1 A 11 11 ASP CB C 11 41.149 44.213 -3.064 1
1 48 . 5 1 1 A 11 11 ASP N N 11 119.884 120.962 -1.078 1
1 49 . 5 1 1 A 12 12 PHE H H 12 8.028 9.058 -1.030 1
1 50 . 5 1 1 A 12 12 PHE HA H 12 4.616 4.530 0.086 1
1 55 . 5 1 1 A 12 12 PHE C C 12 175.001 174.627 0.374 1
1 56 . 5 1 1 A 12 12 PHE CA C 12 57.417 59.766 -2.349 1
1 57 . 5 1 1 A 12 12 PHE CB C 12 39.577 39.747 -0.170 1
1 60 . 5 1 1 A 12 12 PHE N N 12 119.972 127.743 -7.771 1
1 61 . 5 1 1 A 13 13 ALA H H 13 8.118 8.515 -0.397 1
1 62 . 5 1 1 A 13 13 ALA HA H 13 4.570 4.421 0.149 1
1 66 . 5 1 1 A 13 13 ALA C C 13 175.002 174.140 0.862 1
1 67 . 5 1 1 A 13 13 ALA CA C 13 50.500 49.575 0.925 1
1 68 . 5 1 1 A 13 13 ALA CB C 13 18.532 21.959 -3.427 1
1 69 . 5 1 1 A 13 13 ALA N N 13 126.968 129.297 -2.329 1
1 70 . 5 1 1 A 14 14 PRO HA H 14 4.349 4.449 -0.100 1
1 76 . 5 1 1 A 14 14 PRO C C 14 177.054 175.184 1.870 1
1 77 . 5 1 1 A 14 14 PRO CA C 14 63.380 62.245 1.135 1
1 78 . 5 1 1 A 14 14 PRO CB C 14 31.960 33.118 -1.158 1
1 81 . 5 1 1 A 15 15 GLN H H 15 8.411 8.325 0.086 1
1 82 . 5 1 1 A 15 15 GLN HA H 15 4.221 4.849 -0.628 1
1 88 . 5 1 1 A 15 15 GLN C C 15 175.815 174.921 0.894 1
1 89 . 5 1 1 A 15 15 GLN CA C 15 55.929 54.345 1.584 1
1 90 . 5 1 1 A 15 15 GLN CB C 15 29.270 31.236 -1.966 1
1 92 . 5 1 1 A 15 15 GLN N N 15 120.172 119.574 0.598 1
1 94 . 5 1 1 A 16 16 LYS H H 16 8.171 8.895 -0.724 1
1 95 . 5 1 1 A 16 16 LYS HA H 16 4.234 4.970 -0.736 1
1 102 . 5 1 1 A 16 16 LYS C C 16 176.196 176.280 -0.084 1
1 103 . 5 1 1 A 16 16 LYS CA C 16 56.236 55.216 1.020 1
1 104 . 5 1 1 A 16 16 LYS CB C 16 33.171 34.538 -1.367 1
1 108 . 5 1 1 A 16 16 LYS N N 16 122.238 123.829 -1.591 1
1 109 . 5 1 1 A 17 17 PHE H H 17 8.257 8.585 -0.328 1
1 110 . 5 1 1 A 17 17 PHE HA H 17 4.715 5.545 -0.830 1
1 117 . 5 1 1 A 17 17 PHE C C 17 175.737 173.462 2.275 1
1 118 . 5 1 1 A 17 17 PHE CA C 17 57.341 55.615 1.726 1
1 119 . 5 1 1 A 17 17 PHE CB C 17 39.776 41.761 -1.985 1
1 124 . 5 1 1 A 17 17 PHE N N 17 121.572 118.078 3.494 1
1 125 . 5 1 1 A 18 18 LYS H H 18 8.411 8.676 -0.265 1
1 126 . 5 1 1 A 18 18 LYS HA H 18 4.285 4.262 0.023 1
1 132 . 5 1 1 A 18 18 LYS C C 18 176.317 175.989 0.328 1
1 133 . 5 1 1 A 18 18 LYS CA C 18 56.146 55.487 0.659 1
1 134 . 5 1 1 A 18 18 LYS CB C 18 33.269 33.590 -0.321 1
1 138 . 5 1 1 A 18 18 LYS N N 18 123.072 125.229 -2.157 1
1 139 . 5 1 1 A 19 19 GLU H H 19 8.494 8.600 -0.106 1
1 140 . 5 1 1 A 19 19 GLU HA H 19 4.243 4.736 -0.493 1
1 144 . 5 1 1 A 19 19 GLU C C 19 176.811 175.705 1.106 1
1 145 . 5 1 1 A 19 19 GLU CA C 19 56.916 56.015 0.901 1
1 146 . 5 1 1 A 19 19 GLU CB C 19 30.158 30.600 -0.442 1
1 148 . 5 1 1 A 19 19 GLU N N 19 123.032 123.982 -0.950 1
1 149 . 5 1 1 A 20 20 LYS H H 20 8.530 8.866 -0.336 1
1 150 . 5 1 1 A 20 20 LYS HA H 20 4.560 4.910 -0.350 1
1 159 . 5 1 1 A 20 20 LYS C C 20 177.491 175.192 2.299 1
1 160 . 5 1 1 A 20 20 LYS CA C 20 56.105 54.510 1.595 1
1 161 . 5 1 1 A 20 20 LYS CB C 20 34.248 35.409 -1.161 1
1 165 . 5 1 1 A 20 20 LYS N N 20 123.545 127.580 -4.035 1
1 166 . 5 1 1 A 21 21 THR H H 21 8.868 8.401 0.467 1
1 167 . 5 1 1 A 21 21 THR HA H 21 4.448 4.857 -0.409 1
1 172 . 5 1 1 A 21 21 THR C C 21 175.491 175.871 -0.380 1
1 173 . 5 1 1 A 21 21 THR CA C 21 60.686 59.560 1.126 1
1 174 . 5 1 1 A 21 21 THR CB C 21 70.760 71.327 -0.567 1
1 176 . 5 1 1 A 21 21 THR N N 21 113.437 114.170 -0.733 1
1 177 . 5 1 1 A 22 22 GLN H H 22 8.993 9.107 -0.114 1
1 178 . 5 1 1 A 22 22 GLN HA H 22 4.055 4.098 -0.043 1
1 183 . 5 1 1 A 22 22 GLN C C 22 178.882 178.268 0.614 1
1 184 . 5 1 1 A 22 22 GLN CA C 22 58.899 58.103 0.796 1
1 185 . 5 1 1 A 22 22 GLN CB C 22 28.366 28.131 0.235 1
1 187 . 5 1 1 A 22 22 GLN N N 22 120.458 124.043 -3.585 1
1 188 . 5 1 1 A 23 23 GLY H H 23 8.580 8.416 0.164 1
1 189 . 5 1 1 A 23 23 GLY HA2 H 23 3.843 3.771 0.072 1
1 190 . 5 1 1 A 23 23 GLY HA3 H 23 3.843 3.773 0.070 1
1 191 . 5 1 1 A 23 23 GLY C C 23 176.518 175.929 0.589 1
1 192 . 5 1 1 A 23 23 GLY CA C 23 46.750 47.381 -0.631 1
1 193 . 5 1 1 A 23 23 GLY N N 23 107.047 108.517 -1.470 1
1 194 . 5 1 1 A 24 24 GLN H H 24 7.771 7.960 -0.189 1
1 195 . 5 1 1 A 24 24 GLN HA H 24 3.844 4.013 -0.169 1
1 202 . 5 1 1 A 24 24 GLN C C 24 177.564 178.372 -0.808 1
1 203 . 5 1 1 A 24 24 GLN CA C 24 59.397 58.896 0.501 1
1 204 . 5 1 1 A 24 24 GLN CB C 24 29.250 28.345 0.905 1
1 206 . 5 1 1 A 24 24 GLN N N 24 120.555 121.269 -0.714 1
1 208 . 5 1 1 A 25 25 VAL H H 25 8.029 7.776 0.253 1
1 209 . 5 1 1 A 25 25 VAL HA H 25 3.163 3.435 -0.272 1
1 217 . 5 1 1 A 25 25 VAL C C 25 176.630 177.664 -1.034 1
1 218 . 5 1 1 A 25 25 VAL CA C 25 66.856 66.876 -0.020 1
1 219 . 5 1 1 A 25 25 VAL CB C 25 31.543 31.480 0.063 1
1 222 . 5 1 1 A 25 25 VAL N N 25 117.187 120.308 -3.121 1
1 223 . 5 1 1 A 26 26 LYS H H 26 7.924 8.363 -0.439 1
1 224 . 5 1 1 A 26 26 LYS HA H 26 3.995 4.035 -0.040 1
1 230 . 5 1 1 A 26 26 LYS C C 26 178.199 178.611 -0.412 1
1 231 . 5 1 1 A 26 26 LYS CA C 26 59.506 59.914 -0.408 1
1 232 . 5 1 1 A 26 26 LYS CB C 26 32.209 31.978 0.231 1
1 236 . 5 1 1 A 26 26 LYS N N 26 119.341 120.176 -0.835 1
1 237 . 5 1 1 A 27 27 ILE H H 27 7.033 7.708 -0.675 1
1 238 . 5 1 1 A 27 27 ILE HA H 27 3.706 3.635 0.071 1
1 248 . 5 1 1 A 27 27 ILE C C 27 179.280 178.678 0.602 1
1 249 . 5 1 1 A 27 27 ILE CA C 27 64.803 65.552 -0.749 1
1 250 . 5 1 1 A 27 27 ILE CB C 27 38.361 37.600 0.761 1
1 254 . 5 1 1 A 27 27 ILE N N 27 117.901 119.838 -1.937 1
1 255 . 5 1 1 A 28 28 LEU H H 28 7.400 7.526 -0.126 1
1 256 . 5 1 1 A 28 28 LEU HA H 28 3.563 3.789 -0.226 1
1 266 . 5 1 1 A 28 28 LEU C C 28 177.369 178.479 -1.110 1
1 267 . 5 1 1 A 28 28 LEU CA C 28 58.256 58.113 0.143 1
1 268 . 5 1 1 A 28 28 LEU CB C 28 37.957 40.931 -2.974 1
1 272 . 5 1 1 A 28 28 LEU N N 28 121.290 119.925 1.365 1
1 273 . 5 1 1 A 29 29 GLU H H 29 8.880 8.634 0.246 1
1 274 . 5 1 1 A 29 29 GLU HA H 29 4.327 4.206 0.121 1
1 278 . 5 1 1 A 29 29 GLU C C 29 179.216 178.895 0.321 1
1 279 . 5 1 1 A 29 29 GLU CA C 29 59.430 60.032 -0.602 1
1 280 . 5 1 1 A 29 29 GLU CB C 29 29.276 29.441 -0.165 1
1 282 . 5 1 1 A 29 29 GLU N N 29 120.487 117.073 3.414 1
1 283 . 5 1 1 A 30 30 ASP H H 30 8.313 8.203 0.110 1
1 284 . 5 1 1 A 30 30 ASP HA H 30 4.422 4.432 -0.010 1
1 287 . 5 1 1 A 30 30 ASP C C 30 179.036 178.379 0.657 1
1 288 . 5 1 1 A 30 30 ASP CA C 30 57.388 57.873 -0.485 1
1 289 . 5 1 1 A 30 30 ASP CB C 30 40.547 41.655 -1.108 1
1 290 . 5 1 1 A 30 30 ASP N N 30 118.471 119.858 -1.387 1
1 291 . 5 1 1 A 31 31 SER H H 31 7.406 8.368 -0.962 1
1 292 . 5 1 1 A 31 31 SER HA H 31 4.290 4.289 0.001 1
1 295 . 5 1 1 A 31 31 SER C C 31 177.290 176.388 0.902 1
1 296 . 5 1 1 A 31 31 SER CA C 31 61.575 62.322 -0.747 1
1 297 . 5 1 1 A 31 31 SER CB C 31 63.167 63.184 -0.017 1
1 298 . 5 1 1 A 31 31 SER N N 31 113.187 116.669 -3.482 1
1 299 . 5 1 1 A 32 32 PHE H H 32 9.117 8.160 0.957 1
1 300 . 5 1 1 A 32 32 PHE HA H 32 4.369 4.528 -0.159 1
1 308 . 5 1 1 A 32 32 PHE C C 32 176.545 177.344 -0.799 1
1 309 . 5 1 1 A 32 32 PHE CA C 32 61.569 61.665 -0.096 1
1 310 . 5 1 1 A 32 32 PHE CB C 32 39.362 39.230 0.132 1
1 316 . 5 1 1 A 32 32 PHE N N 32 121.840 122.938 -1.098 1
1 317 . 5 1 1 A 33 33 LEU H H 33 8.235 9.023 -0.788 1
1 318 . 5 1 1 A 33 33 LEU HA H 33 3.965 3.890 0.075 1
1 328 . 5 1 1 A 33 33 LEU C C 33 179.575 179.275 0.300 1
1 329 . 5 1 1 A 33 33 LEU CA C 33 56.998 58.133 -1.135 1
1 330 . 5 1 1 A 33 33 LEU CB C 33 42.053 41.833 0.220 1
1 334 . 5 1 1 A 33 33 LEU N N 33 115.363 120.033 -4.670 1
1 335 . 5 1 1 A 34 34 LYS H H 34 7.509 7.732 -0.223 1
1 336 . 5 1 1 A 34 34 LYS HA H 34 4.174 4.243 -0.069 1
1 343 . 5 1 1 A 34 34 LYS C C 34 178.190 176.649 1.541 1
1 344 . 5 1 1 A 34 34 LYS CA C 34 58.819 58.280 0.539 1
1 345 . 5 1 1 A 34 34 LYS CB C 34 32.352 32.843 -0.491 1
1 349 . 5 1 1 A 34 34 LYS N N 34 119.688 117.294 2.394 1
1 350 . 5 1 1 A 35 35 SER H H 35 8.130 8.176 -0.046 1
1 351 . 5 1 1 A 35 35 SER HA H 35 4.379 4.779 -0.400 1
1 354 . 5 1 1 A 35 35 SER C C 35 174.000 173.747 0.253 1
1 355 . 5 1 1 A 35 35 SER CA C 35 58.202 57.528 0.674 1
1 356 . 5 1 1 A 35 35 SER CB C 35 64.375 64.704 -0.329 1
1 357 . 5 1 1 A 35 35 SER N N 35 112.275 115.750 -3.475 1
1 358 . 5 1 1 A 36 36 SER H H 36 8.404 8.735 -0.331 1
1 359 . 5 1 1 A 36 36 SER HA H 36 3.952 3.418 0.534 1
1 362 . 5 1 1 A 36 36 SER C C 36 172.467 174.861 -2.394 1
1 363 . 5 1 1 A 36 36 SER CA C 36 59.127 61.954 -2.827 1
1 364 . 5 1 1 A 36 36 SER CB C 36 63.788 62.794 0.994 1
1 365 . 5 1 1 A 36 36 SER N N 36 121.307 120.889 0.418 1
1 366 . 5 1 1 A 37 37 PHE H H 37 7.735 8.222 -0.487 1
1 367 . 5 1 1 A 37 37 PHE HA H 37 4.859 5.096 -0.237 1
1 375 . 5 1 1 A 37 37 PHE C C 37 172.549 173.873 -1.324 1
1 376 . 5 1 1 A 37 37 PHE CA C 37 55.604 55.087 0.517 1
1 377 . 5 1 1 A 37 37 PHE CB C 37 39.842 39.263 0.579 1
1 383 . 5 1 1 A 37 37 PHE N N 37 118.373 119.735 -1.362 1
1 384 . 5 1 1 A 38 38 PRO HA H 38 4.391 4.674 -0.283 1
1 391 . 5 1 1 A 38 38 PRO C C 38 177.660 175.565 2.095 1
1 392 . 5 1 1 A 38 38 PRO CA C 38 62.193 62.370 -0.177 1
1 393 . 5 1 1 A 38 38 PRO CB C 38 31.490 33.009 -1.519 1
1 396 . 5 1 1 A 39 39 THR H H 39 7.809 8.409 -0.600 1
1 397 . 5 1 1 A 39 39 THR HA H 39 4.322 4.778 -0.456 1
1 402 . 5 1 1 A 39 39 THR C C 39 174.966 175.168 -0.202 1
1 403 . 5 1 1 A 39 39 THR CA C 39 60.648 59.806 0.842 1
1 404 . 5 1 1 A 39 39 THR CB C 39 71.192 70.874 0.318 1
1 406 . 5 1 1 A 39 39 THR N N 39 111.373 115.519 -4.146 1
1 407 . 5 1 1 A 40 40 GLN H H 40 8.880 9.086 -0.206 1
1 408 . 5 1 1 A 40 40 GLN HA H 40 3.907 3.939 -0.032 1
1 414 . 5 1 1 A 40 40 GLN C C 40 177.855 177.774 0.081 1
1 415 . 5 1 1 A 40 40 GLN CA C 40 59.243 59.641 -0.398 1
1 416 . 5 1 1 A 40 40 GLN CB C 40 28.107 28.616 -0.509 1
1 418 . 5 1 1 A 40 40 GLN N N 40 120.143 126.679 -6.536 1
1 420 . 5 1 1 A 41 41 ALA H H 41 8.286 8.046 0.240 1
1 421 . 5 1 1 A 41 41 ALA HA H 41 4.212 4.070 0.142 1
1 425 . 5 1 1 A 41 41 ALA C C 41 180.741 179.202 1.539 1
1 426 . 5 1 1 A 41 41 ALA CA C 41 55.009 54.970 0.039 1
1 427 . 5 1 1 A 41 41 ALA CB C 41 18.111 18.355 -0.244 1
1 428 . 5 1 1 A 41 41 ALA N N 41 119.773 122.151 -2.378 1
1 429 . 5 1 1 A 42 42 GLU H H 42 7.772 8.329 -0.557 1
1 430 . 5 1 1 A 42 42 GLU HA H 42 4.673 4.000 0.673 1
1 435 . 5 1 1 A 42 42 GLU C C 42 178.478 178.593 -0.115 1
1 436 . 5 1 1 A 42 42 GLU CA C 42 57.730 59.780 -2.050 1
1 437 . 5 1 1 A 42 42 GLU CB C 42 28.610 29.541 -0.931 1
1 439 . 5 1 1 A 42 42 GLU N N 42 122.141 118.520 3.621 1
1 440 . 5 1 1 A 43 43 LEU H H 43 8.472 8.474 -0.002 1
1 441 . 5 1 1 A 43 43 LEU HA H 43 3.924 3.803 0.121 1
1 451 . 5 1 1 A 43 43 LEU C C 43 179.842 178.460 1.382 1
1 452 . 5 1 1 A 43 43 LEU CA C 43 58.828 57.699 1.129 1
1 453 . 5 1 1 A 43 43 LEU CB C 43 41.540 41.568 -0.028 1
1 457 . 5 1 1 A 43 43 LEU N N 43 121.542 120.195 1.347 1
1 458 . 5 1 1 A 44 44 ASP H H 44 8.384 8.396 -0.012 1
1 459 . 5 1 1 A 44 44 ASP HA H 44 4.447 4.259 0.188 1
1 462 . 5 1 1 A 44 44 ASP C C 44 178.428 178.721 -0.293 1
1 463 . 5 1 1 A 44 44 ASP CA C 44 57.812 57.346 0.466 1
1 464 . 5 1 1 A 44 44 ASP CB C 44 40.226 40.440 -0.214 1
1 465 . 5 1 1 A 44 44 ASP N N 44 119.756 118.144 1.612 1
1 466 . 5 1 1 A 45 45 ARG H H 45 7.979 7.812 0.167 1
1 467 . 5 1 1 A 45 45 ARG HA H 45 4.058 4.110 -0.052 1
1 475 . 5 1 1 A 45 45 ARG C C 45 179.249 178.571 0.678 1
1 476 . 5 1 1 A 45 45 ARG CA C 45 59.629 58.629 1.000 1
1 477 . 5 1 1 A 45 45 ARG CB C 45 30.553 30.071 0.482 1
1 480 . 5 1 1 A 45 45 ARG N N 45 123.029 119.861 3.168 1
1 482 . 5 1 1 A 46 46 LEU H H 46 8.943 8.346 0.597 1
1 483 . 5 1 1 A 46 46 LEU HA H 46 3.922 3.886 0.036 1
1 493 . 5 1 1 A 46 46 LEU C C 46 180.973 179.359 1.614 1
1 494 . 5 1 1 A 46 46 LEU CA C 46 57.885 57.960 -0.075 1
1 495 . 5 1 1 A 46 46 LEU CB C 46 42.943 41.580 1.363 1
1 499 . 5 1 1 A 46 46 LEU N N 46 118.282 119.566 -1.284 1
1 500 . 5 1 1 A 47 47 ARG H H 47 8.421 7.998 0.423 1
1 501 . 5 1 1 A 47 47 ARG HA H 47 4.050 3.999 0.051 1
1 508 . 5 1 1 A 47 47 ARG C C 47 178.760 178.220 0.540 1
1 509 . 5 1 1 A 47 47 ARG CA C 47 60.366 59.066 1.300 1
1 510 . 5 1 1 A 47 47 ARG CB C 47 29.957 29.874 0.083 1
1 513 . 5 1 1 A 47 47 ARG N N 47 125.416 119.479 5.937 1
1 514 . 5 1 1 A 48 48 VAL H H 48 7.626 8.108 -0.482 1
1 515 . 5 1 1 A 48 48 VAL HA H 48 3.700 3.754 -0.054 1
1 523 . 5 1 1 A 48 48 VAL C C 48 178.628 177.664 0.964 1
1 524 . 5 1 1 A 48 48 VAL CA C 48 66.325 64.890 1.435 1
1 525 . 5 1 1 A 48 48 VAL CB C 48 31.902 31.291 0.611 1
1 528 . 5 1 1 A 48 48 VAL N N 48 119.769 119.718 0.051 1
1 529 . 5 1 1 A 49 49 GLU H H 49 8.419 8.709 -0.290 1
1 530 . 5 1 1 A 49 49 GLU HA H 49 4.202 3.991 0.211 1
1 534 . 5 1 1 A 49 49 GLU C C 49 178.866 178.951 -0.085 1
1 535 . 5 1 1 A 49 49 GLU CA C 49 59.062 59.346 -0.284 1
1 536 . 5 1 1 A 49 49 GLU CB C 49 30.950 29.410 1.540 1
1 538 . 5 1 1 A 49 49 GLU N N 49 116.074 122.413 -6.339 1
1 539 . 5 1 1 A 50 50 THR H H 50 8.436 7.698 0.738 1
1 540 . 5 1 1 A 50 50 THR HA H 50 4.335 4.294 0.041 1
1 545 . 5 1 1 A 50 50 THR C C 50 175.412 174.218 1.194 1
1 546 . 5 1 1 A 50 50 THR CA C 50 63.447 62.129 1.318 1
1 547 . 5 1 1 A 50 50 THR CB C 50 71.702 69.221 2.481 1
1 549 . 5 1 1 A 50 50 THR N N 50 105.198 110.340 -5.142 1
1 550 . 5 1 1 A 51 51 LYS H H 51 7.745 8.005 -0.260 1
1 551 . 5 1 1 A 51 51 LYS HA H 51 4.032 3.766 0.266 1
1 559 . 5 1 1 A 51 51 LYS C C 51 175.949 174.697 1.252 1
1 560 . 5 1 1 A 51 51 LYS CA C 51 58.428 57.295 1.133 1
1 561 . 5 1 1 A 51 51 LYS CB C 51 29.225 29.297 -0.072 1
1 565 . 5 1 1 A 51 51 LYS N N 51 114.904 116.654 -1.750 1
1 566 . 5 1 1 A 52 52 LEU H H 52 7.679 7.749 -0.070 1
1 567 . 5 1 1 A 52 52 LEU HA H 52 4.519 4.937 -0.418 1
1 577 . 5 1 1 A 52 52 LEU C C 52 176.301 175.080 1.221 1
1 578 . 5 1 1 A 52 52 LEU CA C 52 53.820 52.977 0.843 1
1 579 . 5 1 1 A 52 52 LEU CB C 52 43.987 44.966 -0.979 1
1 583 . 5 1 1 A 52 52 LEU N N 52 120.156 118.813 1.343 1
1 584 . 5 1 1 A 53 53 SER H H 53 8.599 8.510 0.089 1
1 585 . 5 1 1 A 53 53 SER HA H 53 4.454 4.831 -0.377 1
1 588 . 5 1 1 A 53 53 SER C C 53 175.265 174.895 0.370 1
1 589 . 5 1 1 A 53 53 SER CA C 53 57.586 56.029 1.557 1
1 590 . 5 1 1 A 53 53 SER CB C 53 65.402 65.882 -0.480 1
1 591 . 5 1 1 A 53 53 SER N N 53 114.483 115.461 -0.978 1
1 592 . 5 1 1 A 54 54 ARG H H 54 9.030 8.879 0.151 1
1 593 . 5 1 1 A 54 54 ARG HA H 54 3.925 3.909 0.016 1
1 599 . 5 1 1 A 54 54 ARG C C 54 178.621 178.301 0.320 1
1 600 . 5 1 1 A 54 54 ARG CA C 54 59.660 60.052 -0.392 1
1 601 . 5 1 1 A 54 54 ARG CB C 54 29.594 30.175 -0.581 1
1 604 . 5 1 1 A 54 54 ARG N N 54 121.039 126.058 -5.019 1
1 605 . 5 1 1 A 55 55 ARG H H 55 8.472 8.018 0.454 1
1 606 . 5 1 1 A 55 55 ARG HA H 55 4.253 4.036 0.217 1
1 611 . 5 1 1 A 55 55 ARG C C 55 179.367 179.242 0.125 1
1 612 . 5 1 1 A 55 55 ARG CA C 55 59.387 59.926 -0.539 1
1 613 . 5 1 1 A 55 55 ARG CB C 55 30.068 30.144 -0.076 1
1 616 . 5 1 1 A 55 55 ARG N N 55 117.655 119.224 -1.569 1
1 617 . 5 1 1 A 56 56 GLU H H 56 7.849 8.165 -0.316 1
1 618 . 5 1 1 A 56 56 GLU HA H 56 3.909 4.064 -0.155 1
1 622 . 5 1 1 A 56 56 GLU C C 56 179.885 179.431 0.454 1
1 623 . 5 1 1 A 56 56 GLU CA C 56 59.421 59.355 0.066 1
1 624 . 5 1 1 A 56 56 GLU CB C 56 30.907 29.452 1.455 1
1 626 . 5 1 1 A 56 56 GLU N N 56 119.916 119.605 0.311 1
1 627 . 5 1 1 A 57 57 ILE H H 57 8.254 8.005 0.249 1
1 628 . 5 1 1 A 57 57 ILE HA H 57 3.732 3.706 0.026 1
1 638 . 5 1 1 A 57 57 ILE C C 57 177.586 177.798 -0.212 1
1 639 . 5 1 1 A 57 57 ILE CA C 57 66.553 65.768 0.785 1
1 640 . 5 1 1 A 57 57 ILE CB C 57 38.596 38.127 0.469 1
1 644 . 5 1 1 A 57 57 ILE N N 57 122.354 120.830 1.524 1
1 645 . 5 1 1 A 58 58 ASP H H 58 8.899 8.598 0.301 1
1 646 . 5 1 1 A 58 58 ASP HA H 58 4.621 4.312 0.309 1
1 649 . 5 1 1 A 58 58 ASP C C 58 180.161 178.401 1.760 1
1 650 . 5 1 1 A 58 58 ASP CA C 58 58.114 57.330 0.784 1
1 651 . 5 1 1 A 58 58 ASP CB C 58 40.817 40.841 -0.024 1
1 652 . 5 1 1 A 58 58 ASP N N 58 121.029 121.111 -0.082 1
1 653 . 5 1 1 A 59 59 SER H H 59 8.321 8.565 -0.244 1
1 654 . 5 1 1 A 59 59 SER HA H 59 4.371 4.235 0.136 1
1 656 . 5 1 1 A 59 59 SER C C 59 176.017 176.251 -0.234 1
1 657 . 5 1 1 A 59 59 SER CA C 59 61.870 61.306 0.564 1
1 658 . 5 1 1 A 59 59 SER CB C 59 63.076 62.303 0.773 1
1 659 . 5 1 1 A 59 59 SER N N 59 114.708 113.441 1.267 1
1 660 . 5 1 1 A 60 60 TRP H H 60 8.209 8.132 0.077 1
1 661 . 5 1 1 A 60 60 TRP HA H 60 4.019 4.336 -0.317 1
1 670 . 5 1 1 A 60 60 TRP C C 60 179.214 178.528 0.686 1
1 671 . 5 1 1 A 60 60 TRP CA C 60 62.981 61.230 1.751 1
1 672 . 5 1 1 A 60 60 TRP CB C 60 28.693 29.814 -1.121 1
1 678 . 5 1 1 A 60 60 TRP N N 60 123.289 124.174 -0.885 1
1 680 . 5 1 1 A 61 61 PHE H H 61 8.941 8.812 0.129 1
1 681 . 5 1 1 A 61 61 PHE HA H 61 3.798 3.997 -0.199 1
1 689 . 5 1 1 A 61 61 PHE C C 61 178.097 178.179 -0.082 1
1 690 . 5 1 1 A 61 61 PHE CA C 61 63.866 61.279 2.587 1
1 691 . 5 1 1 A 61 61 PHE CB C 61 39.642 38.322 1.320 1
1 697 . 5 1 1 A 61 61 PHE N N 61 118.838 118.055 0.783 1
1 698 . 5 1 1 A 62 62 SER H H 62 8.179 8.632 -0.453 1
1 699 . 5 1 1 A 62 62 SER HA H 62 4.134 4.120 0.014 1
1 702 . 5 1 1 A 62 62 SER C C 62 177.996 176.412 1.584 1
1 703 . 5 1 1 A 62 62 SER CA C 62 62.064 62.430 -0.366 1
1 704 . 5 1 1 A 62 62 SER CB C 62 62.890 63.089 -0.199 1
1 705 . 5 1 1 A 62 62 SER N N 62 113.145 115.444 -2.299 1
1 706 . 5 1 1 A 63 63 GLU H H 63 8.027 7.679 0.348 1
1 707 . 5 1 1 A 63 63 GLU HA H 63 3.910 4.109 -0.199 1
1 711 . 5 1 1 A 63 63 GLU C C 63 178.729 178.730 -0.001 1
1 712 . 5 1 1 A 63 63 GLU CA C 63 58.637 58.916 -0.279 1
1 713 . 5 1 1 A 63 63 GLU CB C 63 29.188 29.559 -0.371 1
1 715 . 5 1 1 A 63 63 GLU N N 63 120.533 121.300 -0.767 1
1 716 . 5 1 1 A 64 64 ARG H H 64 8.166 7.936 0.230 1
1 717 . 5 1 1 A 64 64 ARG HA H 64 3.498 3.493 0.005 1
1 725 . 5 1 1 A 64 64 ARG C C 64 179.466 178.730 0.736 1
1 726 . 5 1 1 A 64 64 ARG CA C 64 56.502 58.837 -2.335 1
1 727 . 5 1 1 A 64 64 ARG CB C 64 28.148 28.697 -0.549 1
1 730 . 5 1 1 A 64 64 ARG N N 64 122.505 120.277 2.228 1
1 732 . 5 1 1 A 65 65 ARG H H 65 8.002 7.923 0.079 1
1 733 . 5 1 1 A 65 65 ARG HA H 65 4.086 4.319 -0.233 1
1 740 . 5 1 1 A 65 65 ARG C C 65 177.832 179.131 -1.299 1
1 741 . 5 1 1 A 65 65 ARG CA C 65 60.054 59.887 0.167 1
1 742 . 5 1 1 A 65 65 ARG CB C 65 31.425 30.295 1.130 1
1 745 . 5 1 1 A 65 65 ARG N N 65 117.887 118.257 -0.370 1
1 746 . 5 1 1 A 66 66 LYS H H 66 7.356 7.791 -0.435 1
1 747 . 5 1 1 A 66 66 LYS HA H 66 4.141 4.013 0.128 1
1 753 . 5 1 1 A 66 66 LYS C C 66 178.353 179.041 -0.688 1
1 754 . 5 1 1 A 66 66 LYS CA C 66 58.444 58.882 -0.438 1
1 755 . 5 1 1 A 66 66 LYS CB C 66 32.288 32.554 -0.266 1
1 759 . 5 1 1 A 66 66 LYS N N 66 118.479 119.545 -1.066 1
1 760 . 5 1 1 A 67 67 LEU H H 67 7.604 7.793 -0.189 1
1 761 . 5 1 1 A 67 67 LEU HA H 67 4.143 3.857 0.286 1
1 771 . 5 1 1 A 67 67 LEU C C 67 178.510 178.610 -0.100 1
1 772 . 5 1 1 A 67 67 LEU CA C 67 56.712 57.828 -1.116 1
1 773 . 5 1 1 A 67 67 LEU CB C 67 41.857 41.702 0.155 1
1 777 . 5 1 1 A 67 67 LEU N N 67 120.424 120.497 -0.073 1
1 778 . 5 1 1 A 68 68 ARG H H 68 7.914 7.800 0.114 1
1 779 . 5 1 1 A 68 68 ARG HA H 68 4.262 4.006 0.256 1
1 786 . 5 1 1 A 68 68 ARG C C 68 177.396 178.275 -0.879 1
1 787 . 5 1 1 A 68 68 ARG CA C 68 57.589 59.464 -1.875 1
1 788 . 5 1 1 A 68 68 ARG CB C 68 30.211 30.096 0.115 1
1 791 . 5 1 1 A 68 68 ARG N N 68 120.638 118.862 1.776 1
1 792 . 5 1 1 A 69 69 ASP H H 69 8.337 7.811 0.526 1
1 793 . 5 1 1 A 69 69 ASP HA H 69 4.592 4.400 0.192 1
1 796 . 5 1 1 A 69 69 ASP C C 69 176.826 177.817 -0.991 1
1 797 . 5 1 1 A 69 69 ASP CA C 69 55.527 57.501 -1.974 1
1 798 . 5 1 1 A 69 69 ASP CB C 69 40.833 41.022 -0.189 1
1 799 . 5 1 1 A 69 69 ASP N N 69 119.845 120.018 -0.173 1
1 800 . 5 1 1 A 70 70 SER H H 70 8.002 8.592 -0.590 1
1 801 . 5 1 1 A 70 70 SER HA H 70 4.473 4.118 0.355 1
1 804 . 5 1 1 A 70 70 SER C C 70 174.524 174.383 0.141 1
1 805 . 5 1 1 A 70 70 SER CA C 70 59.070 61.724 -2.654 1
1 806 . 5 1 1 A 70 70 SER CB C 70 63.887 63.045 0.842 1
1 807 . 5 1 1 A 70 70 SER N N 70 114.740 113.375 1.365 1
1 808 . 5 1 1 A 71 71 MET H H 71 8.117 7.926 0.191 1
1 809 . 5 1 1 A 71 71 MET HA H 71 4.559 4.437 0.122 1
1 817 . 5 1 1 A 71 71 MET C C 71 175.392 176.388 -0.996 1
1 818 . 5 1 1 A 71 71 MET CA C 71 55.711 55.550 0.161 1
1 819 . 5 1 1 A 71 71 MET CB C 71 33.246 33.069 0.177 1
1 822 . 5 1 1 A 71 71 MET N N 71 121.694 116.527 5.167 1
1 823 . 5 1 1 A 72 72 GLU HA H 72 4.245 4.554 -0.309 1
1 827 . 5 1 1 A 72 72 GLU C C 72 177.767 175.544 2.223 1
1 828 . 5 1 1 A 72 72 GLU CA C 72 57.871 55.121 2.750 1
1 829 . 5 1 1 A 72 72 GLU CB C 72 29.798 30.858 -1.060 1
1 831 . 5 1 1 A 73 73 GLN H H 73 8.210 8.513 -0.303 1
1 832 . 5 1 1 A 73 73 GLN HA H 73 4.177 4.527 -0.350 1
1 836 . 5 1 1 A 73 73 GLN C C 73 176.422 175.356 1.066 1
1 837 . 5 1 1 A 73 73 GLN CA C 73 56.899 55.271 1.628 1
1 838 . 5 1 1 A 73 73 GLN CB C 73 28.852 29.160 -0.308 1
1 840 . 5 1 1 A 73 73 GLN N N 73 120.076 122.470 -2.394 1
1 841 . 5 1 1 A 74 74 ALA H H 74 8.099 8.777 -0.678 1
1 842 . 5 1 1 A 74 74 ALA HA H 74 4.239 4.848 -0.609 1
1 846 . 5 1 1 A 74 74 ALA C C 74 178.960 176.643 2.317 1
1 847 . 5 1 1 A 74 74 ALA CA C 74 53.837 50.221 3.616 1
1 848 . 5 1 1 A 74 74 ALA CB C 74 18.794 22.102 -3.308 1
1 849 . 5 1 1 A 74 74 ALA N N 74 123.168 129.132 -5.964 1
1 850 . 5 1 1 A 75 75 VAL H H 75 7.886 8.440 -0.554 1
1 851 . 5 1 1 A 75 75 VAL HA H 75 3.985 4.106 -0.121 1
1 859 . 5 1 1 A 75 75 VAL C C 75 177.376 175.328 2.048 1
1 860 . 5 1 1 A 75 75 VAL CA C 75 63.895 62.092 1.803 1
1 861 . 5 1 1 A 75 75 VAL CB C 75 32.450 32.484 -0.034 1
1 864 . 5 1 1 A 75 75 VAL N N 75 119.018 117.959 1.059 1
1 865 . 5 1 1 A 76 76 LEU H H 76 8.074 8.570 -0.496 1
1 866 . 5 1 1 A 76 76 LEU HA H 76 4.291 4.998 -0.707 1
1 876 . 5 1 1 A 76 76 LEU C C 76 178.363 173.716 4.647 1
1 877 . 5 1 1 A 76 76 LEU CA C 76 56.247 53.736 2.511 1
1 878 . 5 1 1 A 76 76 LEU CB C 76 42.342 46.420 -4.078 1
1 882 . 5 1 1 A 76 76 LEU N N 76 124.324 126.364 -2.040 1
1 883 . 5 1 1 A 77 77 ASP H H 77 8.443 8.922 -0.479 1
1 884 . 5 1 1 A 77 77 ASP HA H 77 4.593 5.417 -0.824 1
1 887 . 5 1 1 A 77 77 ASP C C 77 177.224 173.620 3.604 1
1 888 . 5 1 1 A 77 77 ASP CA C 77 55.364 52.628 2.736 1
1 889 . 5 1 1 A 77 77 ASP CB C 77 40.970 44.962 -3.992 1
1 890 . 5 1 1 A 77 77 ASP N N 77 120.595 127.156 -6.561 1
1 891 . 5 1 1 A 78 78 SER H H 78 8.121 8.852 -0.731 1
1 892 . 5 1 1 A 78 78 SER HA H 78 4.421 5.199 -0.778 1
1 894 . 5 1 1 A 78 78 SER C C 78 175.244 173.667 1.577 1
1 895 . 5 1 1 A 78 78 SER CA C 78 58.809 56.722 2.087 1
1 896 . 5 1 1 A 78 78 SER CB C 78 63.674 65.148 -1.474 1
1 897 . 5 1 1 A 78 78 SER N N 78 115.700 121.102 -5.402 1
1 898 . 5 1 1 A 79 79 MET H H 79 8.202 8.851 -0.649 1
1 899 . 5 1 1 A 79 79 MET HA H 79 4.525 5.076 -0.551 1
1 903 . 5 1 1 A 79 79 MET C C 79 177.199 175.666 1.533 1
1 904 . 5 1 1 A 79 79 MET CA C 79 56.010 54.625 1.385 1
1 905 . 5 1 1 A 79 79 MET CB C 79 32.610 34.954 -2.344 1
1 907 . 5 1 1 A 79 79 MET N N 79 121.204 123.407 -2.203 1
1 908 . 5 1 1 A 80 80 GLY H H 80 8.268 8.360 -0.092 1
1 909 . 5 1 1 A 80 80 GLY C C 80 174.529 173.292 1.237 1
1 910 . 5 1 1 A 80 80 GLY CA C 80 45.637 45.786 -0.149 1
1 911 . 5 1 1 A 80 80 GLY N N 80 109.108 106.857 2.251 1
1 912 . 5 1 1 A 81 81 SER HA H 81 4.478 4.841 -0.363 1
1 915 . 5 1 1 A 81 81 SER C C 81 175.336 174.738 0.598 1
1 916 . 5 1 1 A 81 81 SER CA C 81 58.701 57.038 1.663 1
1 917 . 5 1 1 A 81 81 SER CB C 81 63.977 64.135 -0.158 1
1 918 . 5 1 1 A 82 82 GLY H H 82 8.526 8.590 -0.064 1
1 919 . 5 1 1 A 82 82 GLY HA2 H 82 4.018 4.045 -0.027 1
1 920 . 5 1 1 A 82 82 GLY HA3 H 82 4.018 4.045 -0.027 1
1 921 . 5 1 1 A 82 82 GLY C C 82 174.290 173.076 1.214 1
1 922 . 5 1 1 A 82 82 GLY CA C 82 45.485 44.380 1.105 1
1 923 . 5 1 1 A 82 82 GLY N N 82 110.928 114.282 -3.354 1
1 924 . 5 1 1 A 83 83 LYS H H 83 8.159 8.764 -0.605 1
1 925 . 5 1 1 A 83 83 LYS C C 83 176.692 173.859 2.833 1
1 926 . 5 1 1 A 83 83 LYS CA C 83 56.216 55.101 1.115 1
1 927 . 5 1 1 A 83 83 LYS CB C 83 33.201 35.878 -2.677 1
1 928 . 5 1 1 A 83 83 LYS N N 83 120.759 118.249 2.510 1
1 929 . 5 1 1 A 88 88 SER HA H 88 4.509 4.359 0.150 1
1 932 . 5 1 1 A 88 88 SER C C 88 173.946 174.884 -0.938 1
1 933 . 5 1 1 A 88 88 SER CA C 88 58.432 59.416 -0.984 1
1 934 . 5 1 1 A 88 88 SER CB C 88 64.208 63.797 0.411 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.940 3.663 0.277 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.940 3.697 0.243 1
1 3 . 6 1 1 A 7 7 GLY C C 7 173.532 173.285 0.247 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.255 46.340 -1.085 1
1 5 . 6 1 1 A 8 8 ALA H H 8 8.010 7.612 0.398 1
1 6 . 6 1 1 A 8 8 ALA HA H 8 4.259 4.260 -0.001 1
1 10 . 6 1 1 A 8 8 ALA C C 8 176.987 176.757 0.230 1
1 11 . 6 1 1 A 8 8 ALA CA C 8 52.334 52.386 -0.052 1
1 12 . 6 1 1 A 8 8 ALA CB C 8 19.389 19.096 0.293 1
1 13 . 6 1 1 A 8 8 ALA N N 8 123.317 123.154 0.163 1
1 14 . 6 1 1 A 9 9 TYR H H 9 8.110 8.780 -0.670 1
1 15 . 6 1 1 A 9 9 TYR HA H 9 4.832 4.979 -0.147 1
1 22 . 6 1 1 A 9 9 TYR C C 9 174.112 174.191 -0.079 1
1 23 . 6 1 1 A 9 9 TYR CA C 9 55.642 55.915 -0.273 1
1 24 . 6 1 1 A 9 9 TYR CB C 9 38.292 39.516 -1.224 1
1 29 . 6 1 1 A 9 9 TYR N N 9 120.065 122.642 -2.577 1
1 30 . 6 1 1 A 10 10 PRO HA H 10 4.377 4.501 -0.124 1
1 36 . 6 1 1 A 10 10 PRO C C 10 176.388 175.326 1.062 1
1 37 . 6 1 1 A 10 10 PRO CA C 10 63.332 62.578 0.754 1
1 38 . 6 1 1 A 10 10 PRO CB C 10 31.985 32.203 -0.218 1
1 41 . 6 1 1 A 11 11 ASP H H 11 8.249 8.303 -0.054 1
1 42 . 6 1 1 A 11 11 ASP HA H 11 4.537 5.269 -0.732 1
1 45 . 6 1 1 A 11 11 ASP C C 11 175.893 174.513 1.380 1
1 46 . 6 1 1 A 11 11 ASP CA C 11 54.410 52.858 1.552 1
1 47 . 6 1 1 A 11 11 ASP CB C 11 41.149 43.714 -2.565 1
1 48 . 6 1 1 A 11 11 ASP N N 11 119.884 120.716 -0.832 1
1 49 . 6 1 1 A 12 12 PHE H H 12 8.028 8.995 -0.967 1
1 50 . 6 1 1 A 12 12 PHE HA H 12 4.616 4.989 -0.373 1
1 55 . 6 1 1 A 12 12 PHE C C 12 175.001 174.370 0.631 1
1 56 . 6 1 1 A 12 12 PHE CA C 12 57.417 56.606 0.811 1
1 57 . 6 1 1 A 12 12 PHE CB C 12 39.577 43.326 -3.749 1
1 60 . 6 1 1 A 12 12 PHE N N 12 119.972 121.875 -1.903 1
1 61 . 6 1 1 A 13 13 ALA H H 13 8.118 8.740 -0.622 1
1 62 . 6 1 1 A 13 13 ALA HA H 13 4.570 4.972 -0.402 1
1 66 . 6 1 1 A 13 13 ALA C C 13 175.002 176.037 -1.035 1
1 67 . 6 1 1 A 13 13 ALA CA C 13 50.500 49.882 0.618 1
1 68 . 6 1 1 A 13 13 ALA CB C 13 18.532 19.982 -1.450 1
1 69 . 6 1 1 A 13 13 ALA N N 13 126.968 124.097 2.871 1
1 70 . 6 1 1 A 14 14 PRO HA H 14 4.349 4.604 -0.255 1
1 76 . 6 1 1 A 14 14 PRO C C 14 177.054 175.345 1.709 1
1 77 . 6 1 1 A 14 14 PRO CA C 14 63.380 62.372 1.008 1
1 78 . 6 1 1 A 14 14 PRO CB C 14 31.960 32.974 -1.014 1
1 81 . 6 1 1 A 15 15 GLN H H 15 8.411 8.761 -0.350 1
1 82 . 6 1 1 A 15 15 GLN HA H 15 4.221 4.937 -0.716 1
1 88 . 6 1 1 A 15 15 GLN C C 15 175.815 173.755 2.060 1
1 89 . 6 1 1 A 15 15 GLN CA C 15 55.929 54.343 1.586 1
1 90 . 6 1 1 A 15 15 GLN CB C 15 29.270 32.578 -3.308 1
1 92 . 6 1 1 A 15 15 GLN N N 15 120.172 120.064 0.108 1
1 94 . 6 1 1 A 16 16 LYS H H 16 8.171 8.548 -0.377 1
1 95 . 6 1 1 A 16 16 LYS HA H 16 4.234 4.488 -0.254 1
1 102 . 6 1 1 A 16 16 LYS C C 16 176.196 176.635 -0.439 1
1 103 . 6 1 1 A 16 16 LYS CA C 16 56.236 55.422 0.814 1
1 104 . 6 1 1 A 16 16 LYS CB C 16 33.171 33.782 -0.611 1
1 108 . 6 1 1 A 16 16 LYS N N 16 122.238 123.866 -1.628 1
1 109 . 6 1 1 A 17 17 PHE H H 17 8.257 8.693 -0.436 1
1 110 . 6 1 1 A 17 17 PHE HA H 17 4.715 4.793 -0.078 1
1 117 . 6 1 1 A 17 17 PHE C C 17 175.737 174.585 1.152 1
1 118 . 6 1 1 A 17 17 PHE CA C 17 57.341 56.645 0.696 1
1 119 . 6 1 1 A 17 17 PHE CB C 17 39.776 39.777 -0.001 1
1 124 . 6 1 1 A 17 17 PHE N N 17 121.572 122.464 -0.892 1
1 125 . 6 1 1 A 18 18 LYS H H 18 8.411 8.916 -0.505 1
1 126 . 6 1 1 A 18 18 LYS HA H 18 4.285 4.957 -0.672 1
1 132 . 6 1 1 A 18 18 LYS C C 18 176.317 175.201 1.116 1
1 133 . 6 1 1 A 18 18 LYS CA C 18 56.146 54.226 1.920 1
1 134 . 6 1 1 A 18 18 LYS CB C 18 33.269 36.242 -2.973 1
1 138 . 6 1 1 A 18 18 LYS N N 18 123.072 121.771 1.301 1
1 139 . 6 1 1 A 19 19 GLU H H 19 8.494 8.468 0.026 1
1 140 . 6 1 1 A 19 19 GLU HA H 19 4.243 4.390 -0.147 1
1 144 . 6 1 1 A 19 19 GLU C C 19 176.811 176.471 0.340 1
1 145 . 6 1 1 A 19 19 GLU CA C 19 56.916 56.735 0.181 1
1 146 . 6 1 1 A 19 19 GLU CB C 19 30.158 30.038 0.120 1
1 148 . 6 1 1 A 19 19 GLU N N 19 123.032 122.934 0.098 1
1 149 . 6 1 1 A 20 20 LYS H H 20 8.530 8.628 -0.098 1
1 150 . 6 1 1 A 20 20 LYS HA H 20 4.560 4.752 -0.192 1
1 159 . 6 1 1 A 20 20 LYS C C 20 177.491 176.134 1.357 1
1 160 . 6 1 1 A 20 20 LYS CA C 20 56.105 55.072 1.033 1
1 161 . 6 1 1 A 20 20 LYS CB C 20 34.248 33.609 0.639 1
1 165 . 6 1 1 A 20 20 LYS N N 20 123.545 124.516 -0.971 1
1 166 . 6 1 1 A 21 21 THR H H 21 8.868 8.467 0.401 1
1 167 . 6 1 1 A 21 21 THR HA H 21 4.448 4.659 -0.211 1
1 172 . 6 1 1 A 21 21 THR C C 21 175.491 175.017 0.474 1
1 173 . 6 1 1 A 21 21 THR CA C 21 60.686 60.545 0.141 1
1 174 . 6 1 1 A 21 21 THR CB C 21 70.760 70.635 0.125 1
1 176 . 6 1 1 A 21 21 THR N N 21 113.437 115.619 -2.182 1
1 177 . 6 1 1 A 22 22 GLN H H 22 8.993 8.945 0.048 1
1 178 . 6 1 1 A 22 22 GLN HA H 22 4.055 4.059 -0.004 1
1 183 . 6 1 1 A 22 22 GLN C C 22 178.882 178.741 0.141 1
1 184 . 6 1 1 A 22 22 GLN CA C 22 58.899 59.412 -0.513 1
1 185 . 6 1 1 A 22 22 GLN CB C 22 28.366 28.209 0.157 1
1 187 . 6 1 1 A 22 22 GLN N N 22 120.458 125.795 -5.337 1
1 188 . 6 1 1 A 23 23 GLY H H 23 8.580 8.496 0.084 1
1 189 . 6 1 1 A 23 23 GLY HA2 H 23 3.843 3.828 0.015 1
1 190 . 6 1 1 A 23 23 GLY HA3 H 23 3.843 3.829 0.014 1
1 191 . 6 1 1 A 23 23 GLY C C 23 176.518 175.886 0.632 1
1 192 . 6 1 1 A 23 23 GLY CA C 23 46.750 47.206 -0.456 1
1 193 . 6 1 1 A 23 23 GLY N N 23 107.047 107.645 -0.598 1
1 194 . 6 1 1 A 24 24 GLN H H 24 7.771 7.974 -0.203 1
1 195 . 6 1 1 A 24 24 GLN HA H 24 3.844 3.910 -0.066 1
1 202 . 6 1 1 A 24 24 GLN C C 24 177.564 178.445 -0.881 1
1 203 . 6 1 1 A 24 24 GLN CA C 24 59.397 58.818 0.579 1
1 204 . 6 1 1 A 24 24 GLN CB C 24 29.250 28.490 0.760 1
1 206 . 6 1 1 A 24 24 GLN N N 24 120.555 120.965 -0.410 1
1 208 . 6 1 1 A 25 25 VAL H H 25 8.029 7.748 0.281 1
1 209 . 6 1 1 A 25 25 VAL HA H 25 3.163 3.503 -0.340 1
1 217 . 6 1 1 A 25 25 VAL C C 25 176.630 178.153 -1.523 1
1 218 . 6 1 1 A 25 25 VAL CA C 25 66.856 66.832 0.024 1
1 219 . 6 1 1 A 25 25 VAL CB C 25 31.543 31.603 -0.060 1
1 222 . 6 1 1 A 25 25 VAL N N 25 117.187 120.091 -2.904 1
1 223 . 6 1 1 A 26 26 LYS H H 26 7.924 8.223 -0.299 1
1 224 . 6 1 1 A 26 26 LYS HA H 26 3.995 4.010 -0.015 1
1 230 . 6 1 1 A 26 26 LYS C C 26 178.199 178.945 -0.746 1
1 231 . 6 1 1 A 26 26 LYS CA C 26 59.506 59.556 -0.050 1
1 232 . 6 1 1 A 26 26 LYS CB C 26 32.209 32.412 -0.203 1
1 236 . 6 1 1 A 26 26 LYS N N 26 119.341 119.829 -0.488 1
1 237 . 6 1 1 A 27 27 ILE H H 27 7.033 8.052 -1.019 1
1 238 . 6 1 1 A 27 27 ILE HA H 27 3.706 3.672 0.034 1
1 248 . 6 1 1 A 27 27 ILE C C 27 179.280 178.819 0.461 1
1 249 . 6 1 1 A 27 27 ILE CA C 27 64.803 65.019 -0.216 1
1 250 . 6 1 1 A 27 27 ILE CB C 27 38.361 37.355 1.006 1
1 254 . 6 1 1 A 27 27 ILE N N 27 117.901 120.374 -2.473 1
1 255 . 6 1 1 A 28 28 LEU H H 28 7.400 7.932 -0.532 1
1 256 . 6 1 1 A 28 28 LEU HA H 28 3.563 3.916 -0.353 1
1 266 . 6 1 1 A 28 28 LEU C C 28 177.369 178.673 -1.304 1
1 267 . 6 1 1 A 28 28 LEU CA C 28 58.256 57.775 0.481 1
1 268 . 6 1 1 A 28 28 LEU CB C 28 37.957 40.273 -2.316 1
1 272 . 6 1 1 A 28 28 LEU N N 28 121.290 120.385 0.905 1
1 273 . 6 1 1 A 29 29 GLU H H 29 8.880 8.602 0.278 1
1 274 . 6 1 1 A 29 29 GLU HA H 29 4.327 4.104 0.223 1
1 278 . 6 1 1 A 29 29 GLU C C 29 179.216 178.743 0.473 1
1 279 . 6 1 1 A 29 29 GLU CA C 29 59.430 60.090 -0.660 1
1 280 . 6 1 1 A 29 29 GLU CB C 29 29.276 29.484 -0.208 1
1 282 . 6 1 1 A 29 29 GLU N N 29 120.487 118.100 2.387 1
1 283 . 6 1 1 A 30 30 ASP H H 30 8.313 8.274 0.039 1
1 284 . 6 1 1 A 30 30 ASP HA H 30 4.422 4.390 0.032 1
1 287 . 6 1 1 A 30 30 ASP C C 30 179.036 178.429 0.607 1
1 288 . 6 1 1 A 30 30 ASP CA C 30 57.388 57.618 -0.230 1
1 289 . 6 1 1 A 30 30 ASP CB C 30 40.547 42.251 -1.704 1
1 290 . 6 1 1 A 30 30 ASP N N 30 118.471 120.242 -1.771 1
1 291 . 6 1 1 A 31 31 SER H H 31 7.406 7.532 -0.126 1
1 292 . 6 1 1 A 31 31 SER HA H 31 4.290 4.204 0.086 1
1 295 . 6 1 1 A 31 31 SER C C 31 177.290 176.775 0.515 1
1 296 . 6 1 1 A 31 31 SER CA C 31 61.575 61.656 -0.081 1
1 297 . 6 1 1 A 31 31 SER CB C 31 63.167 63.146 0.021 1
1 298 . 6 1 1 A 31 31 SER N N 31 113.187 114.300 -1.113 1
1 299 . 6 1 1 A 32 32 PHE H H 32 9.117 8.615 0.502 1
1 300 . 6 1 1 A 32 32 PHE HA H 32 4.369 4.081 0.288 1
1 308 . 6 1 1 A 32 32 PHE C C 32 176.545 177.139 -0.594 1
1 309 . 6 1 1 A 32 32 PHE CA C 32 61.569 61.731 -0.162 1
1 310 . 6 1 1 A 32 32 PHE CB C 32 39.362 38.960 0.402 1
1 316 . 6 1 1 A 32 32 PHE N N 32 121.840 122.312 -0.472 1
1 317 . 6 1 1 A 33 33 LEU H H 33 8.235 8.579 -0.344 1
1 318 . 6 1 1 A 33 33 LEU HA H 33 3.965 3.874 0.091 1
1 328 . 6 1 1 A 33 33 LEU C C 33 179.575 179.234 0.341 1
1 329 . 6 1 1 A 33 33 LEU CA C 33 56.998 58.278 -1.280 1
1 330 . 6 1 1 A 33 33 LEU CB C 33 42.053 41.642 0.411 1
1 334 . 6 1 1 A 33 33 LEU N N 33 115.363 120.086 -4.723 1
1 335 . 6 1 1 A 34 34 LYS H H 34 7.509 7.531 -0.022 1
1 336 . 6 1 1 A 34 34 LYS HA H 34 4.174 4.104 0.070 1
1 343 . 6 1 1 A 34 34 LYS C C 34 178.190 176.988 1.202 1
1 344 . 6 1 1 A 34 34 LYS CA C 34 58.819 58.760 0.059 1
1 345 . 6 1 1 A 34 34 LYS CB C 34 32.352 32.880 -0.528 1
1 349 . 6 1 1 A 34 34 LYS N N 34 119.688 116.790 2.898 1
1 350 . 6 1 1 A 35 35 SER H H 35 8.130 7.661 0.469 1
1 351 . 6 1 1 A 35 35 SER HA H 35 4.379 4.565 -0.186 1
1 354 . 6 1 1 A 35 35 SER C C 35 174.000 174.459 -0.459 1
1 355 . 6 1 1 A 35 35 SER CA C 35 58.202 56.731 1.471 1
1 356 . 6 1 1 A 35 35 SER CB C 35 64.375 64.624 -0.249 1
1 357 . 6 1 1 A 35 35 SER N N 35 112.275 111.808 0.467 1
1 358 . 6 1 1 A 36 36 SER H H 36 8.404 8.316 0.088 1
1 359 . 6 1 1 A 36 36 SER HA H 36 3.952 2.701 1.251 1
1 362 . 6 1 1 A 36 36 SER C C 36 172.467 174.648 -2.181 1
1 363 . 6 1 1 A 36 36 SER CA C 36 59.127 61.459 -2.332 1
1 364 . 6 1 1 A 36 36 SER CB C 36 63.788 62.291 1.497 1
1 365 . 6 1 1 A 36 36 SER N N 36 121.307 121.730 -0.423 1
1 366 . 6 1 1 A 37 37 PHE H H 37 7.735 7.644 0.091 1
1 367 . 6 1 1 A 37 37 PHE HA H 37 4.859 5.063 -0.204 1
1 375 . 6 1 1 A 37 37 PHE C C 37 172.549 174.212 -1.663 1
1 376 . 6 1 1 A 37 37 PHE CA C 37 55.604 55.397 0.207 1
1 377 . 6 1 1 A 37 37 PHE CB C 37 39.842 38.953 0.889 1
1 383 . 6 1 1 A 37 37 PHE N N 37 118.373 119.933 -1.560 1
1 384 . 6 1 1 A 38 38 PRO HA H 38 4.391 4.687 -0.296 1
1 391 . 6 1 1 A 38 38 PRO C C 38 177.660 175.981 1.679 1
1 392 . 6 1 1 A 38 38 PRO CA C 38 62.193 62.670 -0.477 1
1 393 . 6 1 1 A 38 38 PRO CB C 38 31.490 32.620 -1.130 1
1 396 . 6 1 1 A 39 39 THR H H 39 7.809 8.400 -0.591 1
1 397 . 6 1 1 A 39 39 THR HA H 39 4.322 4.691 -0.369 1
1 402 . 6 1 1 A 39 39 THR C C 39 174.966 175.404 -0.438 1
1 403 . 6 1 1 A 39 39 THR CA C 39 60.648 60.113 0.535 1
1 404 . 6 1 1 A 39 39 THR CB C 39 71.192 70.753 0.439 1
1 406 . 6 1 1 A 39 39 THR N N 39 111.373 116.938 -5.565 1
1 407 . 6 1 1 A 40 40 GLN H H 40 8.880 9.021 -0.141 1
1 408 . 6 1 1 A 40 40 GLN HA H 40 3.907 3.956 -0.049 1
1 414 . 6 1 1 A 40 40 GLN C C 40 177.855 177.759 0.096 1
1 415 . 6 1 1 A 40 40 GLN CA C 40 59.243 59.618 -0.375 1
1 416 . 6 1 1 A 40 40 GLN CB C 40 28.107 28.526 -0.419 1
1 418 . 6 1 1 A 40 40 GLN N N 40 120.143 126.403 -6.260 1
1 420 . 6 1 1 A 41 41 ALA H H 41 8.286 7.990 0.296 1
1 421 . 6 1 1 A 41 41 ALA HA H 41 4.212 4.099 0.113 1
1 425 . 6 1 1 A 41 41 ALA C C 41 180.741 179.017 1.724 1
1 426 . 6 1 1 A 41 41 ALA CA C 41 55.009 54.997 0.012 1
1 427 . 6 1 1 A 41 41 ALA CB C 41 18.111 18.342 -0.231 1
1 428 . 6 1 1 A 41 41 ALA N N 41 119.773 122.163 -2.390 1
1 429 . 6 1 1 A 42 42 GLU H H 42 7.772 8.134 -0.362 1
1 430 . 6 1 1 A 42 42 GLU HA H 42 4.673 4.016 0.657 1
1 435 . 6 1 1 A 42 42 GLU C C 42 178.478 178.516 -0.038 1
1 436 . 6 1 1 A 42 42 GLU CA C 42 57.730 59.466 -1.736 1
1 437 . 6 1 1 A 42 42 GLU CB C 42 28.610 29.561 -0.951 1
1 439 . 6 1 1 A 42 42 GLU N N 42 122.141 118.414 3.727 1
1 440 . 6 1 1 A 43 43 LEU H H 43 8.472 8.193 0.279 1
1 441 . 6 1 1 A 43 43 LEU HA H 43 3.924 3.831 0.093 1
1 451 . 6 1 1 A 43 43 LEU C C 43 179.842 178.652 1.190 1
1 452 . 6 1 1 A 43 43 LEU CA C 43 58.828 57.653 1.175 1
1 453 . 6 1 1 A 43 43 LEU CB C 43 41.540 41.574 -0.034 1
1 457 . 6 1 1 A 43 43 LEU N N 43 121.542 120.642 0.900 1
1 458 . 6 1 1 A 44 44 ASP H H 44 8.384 8.237 0.147 1
1 459 . 6 1 1 A 44 44 ASP HA H 44 4.447 4.304 0.143 1
1 462 . 6 1 1 A 44 44 ASP C C 44 178.428 178.614 -0.186 1
1 463 . 6 1 1 A 44 44 ASP CA C 44 57.812 57.349 0.463 1
1 464 . 6 1 1 A 44 44 ASP CB C 44 40.226 41.440 -1.214 1
1 465 . 6 1 1 A 44 44 ASP N N 44 119.756 118.427 1.329 1
1 466 . 6 1 1 A 45 45 ARG H H 45 7.979 8.029 -0.050 1
1 467 . 6 1 1 A 45 45 ARG HA H 45 4.058 4.105 -0.047 1
1 475 . 6 1 1 A 45 45 ARG C C 45 179.249 178.704 0.545 1
1 476 . 6 1 1 A 45 45 ARG CA C 45 59.629 58.298 1.331 1
1 477 . 6 1 1 A 45 45 ARG CB C 45 30.553 29.824 0.729 1
1 480 . 6 1 1 A 45 45 ARG N N 45 123.029 120.157 2.872 1
1 482 . 6 1 1 A 46 46 LEU H H 46 8.943 8.312 0.631 1
1 483 . 6 1 1 A 46 46 LEU HA H 46 3.922 4.012 -0.090 1
1 493 . 6 1 1 A 46 46 LEU C C 46 180.973 178.959 2.014 1
1 494 . 6 1 1 A 46 46 LEU CA C 46 57.885 58.022 -0.137 1
1 495 . 6 1 1 A 46 46 LEU CB C 46 42.943 41.136 1.807 1
1 499 . 6 1 1 A 46 46 LEU N N 46 118.282 119.891 -1.609 1
1 500 . 6 1 1 A 47 47 ARG H H 47 8.421 8.637 -0.216 1
1 501 . 6 1 1 A 47 47 ARG HA H 47 4.050 3.986 0.064 1
1 508 . 6 1 1 A 47 47 ARG C C 47 178.760 178.674 0.086 1
1 509 . 6 1 1 A 47 47 ARG CA C 47 60.366 59.459 0.907 1
1 510 . 6 1 1 A 47 47 ARG CB C 47 29.957 29.913 0.044 1
1 513 . 6 1 1 A 47 47 ARG N N 47 125.416 118.442 6.974 1
1 514 . 6 1 1 A 48 48 VAL H H 48 7.626 7.625 0.001 1
1 515 . 6 1 1 A 48 48 VAL HA H 48 3.700 3.728 -0.028 1
1 523 . 6 1 1 A 48 48 VAL C C 48 178.628 177.656 0.972 1
1 524 . 6 1 1 A 48 48 VAL CA C 48 66.325 64.970 1.355 1
1 525 . 6 1 1 A 48 48 VAL CB C 48 31.902 31.150 0.752 1
1 528 . 6 1 1 A 48 48 VAL N N 48 119.769 119.822 -0.053 1
1 529 . 6 1 1 A 49 49 GLU H H 49 8.419 8.238 0.181 1
1 530 . 6 1 1 A 49 49 GLU HA H 49 4.202 3.993 0.209 1
1 534 . 6 1 1 A 49 49 GLU C C 49 178.866 179.127 -0.261 1
1 535 . 6 1 1 A 49 49 GLU CA C 49 59.062 59.336 -0.274 1
1 536 . 6 1 1 A 49 49 GLU CB C 49 30.950 29.453 1.497 1
1 538 . 6 1 1 A 49 49 GLU N N 49 116.074 121.393 -5.319 1
1 539 . 6 1 1 A 50 50 THR H H 50 8.436 8.126 0.310 1
1 540 . 6 1 1 A 50 50 THR HA H 50 4.335 4.245 0.090 1
1 545 . 6 1 1 A 50 50 THR C C 50 175.412 174.418 0.994 1
1 546 . 6 1 1 A 50 50 THR CA C 50 63.447 62.536 0.911 1
1 547 . 6 1 1 A 50 50 THR CB C 50 71.702 69.424 2.278 1
1 549 . 6 1 1 A 50 50 THR N N 50 105.198 110.797 -5.599 1
1 550 . 6 1 1 A 51 51 LYS H H 51 7.745 7.880 -0.135 1
1 551 . 6 1 1 A 51 51 LYS HA H 51 4.032 3.779 0.253 1
1 559 . 6 1 1 A 51 51 LYS C C 51 175.949 174.619 1.330 1
1 560 . 6 1 1 A 51 51 LYS CA C 51 58.428 57.352 1.076 1
1 561 . 6 1 1 A 51 51 LYS CB C 51 29.225 29.244 -0.019 1
1 565 . 6 1 1 A 51 51 LYS N N 51 114.904 116.845 -1.941 1
1 566 . 6 1 1 A 52 52 LEU H H 52 7.679 7.841 -0.162 1
1 567 . 6 1 1 A 52 52 LEU HA H 52 4.519 4.916 -0.397 1
1 577 . 6 1 1 A 52 52 LEU C C 52 176.301 175.643 0.658 1
1 578 . 6 1 1 A 52 52 LEU CA C 52 53.820 53.117 0.703 1
1 579 . 6 1 1 A 52 52 LEU CB C 52 43.987 45.223 -1.236 1
1 583 . 6 1 1 A 52 52 LEU N N 52 120.156 118.624 1.532 1
1 584 . 6 1 1 A 53 53 SER H H 53 8.599 8.793 -0.194 1
1 585 . 6 1 1 A 53 53 SER HA H 53 4.454 4.672 -0.218 1
1 588 . 6 1 1 A 53 53 SER C C 53 175.265 175.383 -0.118 1
1 589 . 6 1 1 A 53 53 SER CA C 53 57.586 57.036 0.550 1
1 590 . 6 1 1 A 53 53 SER CB C 53 65.402 65.578 -0.176 1
1 591 . 6 1 1 A 53 53 SER N N 53 114.483 117.212 -2.729 1
1 592 . 6 1 1 A 54 54 ARG H H 54 9.030 9.014 0.016 1
1 593 . 6 1 1 A 54 54 ARG HA H 54 3.925 3.912 0.013 1
1 599 . 6 1 1 A 54 54 ARG C C 54 178.621 178.223 0.398 1
1 600 . 6 1 1 A 54 54 ARG CA C 54 59.660 59.981 -0.321 1
1 601 . 6 1 1 A 54 54 ARG CB C 54 29.594 30.065 -0.471 1
1 604 . 6 1 1 A 54 54 ARG N N 54 121.039 124.715 -3.676 1
1 605 . 6 1 1 A 55 55 ARG H H 55 8.472 8.005 0.467 1
1 606 . 6 1 1 A 55 55 ARG HA H 55 4.253 4.006 0.247 1
1 611 . 6 1 1 A 55 55 ARG C C 55 179.367 179.214 0.153 1
1 612 . 6 1 1 A 55 55 ARG CA C 55 59.387 59.425 -0.038 1
1 613 . 6 1 1 A 55 55 ARG CB C 55 30.068 30.174 -0.106 1
1 616 . 6 1 1 A 55 55 ARG N N 55 117.655 119.319 -1.664 1
1 617 . 6 1 1 A 56 56 GLU H H 56 7.849 8.235 -0.386 1
1 618 . 6 1 1 A 56 56 GLU HA H 56 3.909 4.048 -0.139 1
1 622 . 6 1 1 A 56 56 GLU C C 56 179.885 179.465 0.420 1
1 623 . 6 1 1 A 56 56 GLU CA C 56 59.421 59.368 0.053 1
1 624 . 6 1 1 A 56 56 GLU CB C 56 30.907 29.453 1.454 1
1 626 . 6 1 1 A 56 56 GLU N N 56 119.916 119.559 0.357 1
1 627 . 6 1 1 A 57 57 ILE H H 57 8.254 7.926 0.328 1
1 628 . 6 1 1 A 57 57 ILE HA H 57 3.732 3.772 -0.040 1
1 638 . 6 1 1 A 57 57 ILE C C 57 177.586 177.623 -0.037 1
1 639 . 6 1 1 A 57 57 ILE CA C 57 66.553 65.515 1.038 1
1 640 . 6 1 1 A 57 57 ILE CB C 57 38.596 37.491 1.105 1
1 644 . 6 1 1 A 57 57 ILE N N 57 122.354 120.947 1.407 1
1 645 . 6 1 1 A 58 58 ASP H H 58 8.899 8.443 0.456 1
1 646 . 6 1 1 A 58 58 ASP HA H 58 4.621 4.346 0.275 1
1 649 . 6 1 1 A 58 58 ASP C C 58 180.161 178.429 1.732 1
1 650 . 6 1 1 A 58 58 ASP CA C 58 58.114 57.428 0.686 1
1 651 . 6 1 1 A 58 58 ASP CB C 58 40.817 40.913 -0.096 1
1 652 . 6 1 1 A 58 58 ASP N N 58 121.029 121.697 -0.668 1
1 653 . 6 1 1 A 59 59 SER H H 59 8.321 8.278 0.043 1
1 654 . 6 1 1 A 59 59 SER HA H 59 4.371 4.284 0.087 1
1 656 . 6 1 1 A 59 59 SER C C 59 176.017 176.283 -0.266 1
1 657 . 6 1 1 A 59 59 SER CA C 59 61.870 61.299 0.571 1
1 658 . 6 1 1 A 59 59 SER CB C 59 63.076 62.365 0.711 1
1 659 . 6 1 1 A 59 59 SER N N 59 114.708 114.805 -0.097 1
1 660 . 6 1 1 A 60 60 TRP H H 60 8.209 7.878 0.331 1
1 661 . 6 1 1 A 60 60 TRP HA H 60 4.019 4.275 -0.256 1
1 670 . 6 1 1 A 60 60 TRP C C 60 179.214 178.385 0.829 1
1 671 . 6 1 1 A 60 60 TRP CA C 60 62.981 61.275 1.706 1
1 672 . 6 1 1 A 60 60 TRP CB C 60 28.693 30.020 -1.327 1
1 678 . 6 1 1 A 60 60 TRP N N 60 123.289 123.878 -0.589 1
1 680 . 6 1 1 A 61 61 PHE H H 61 8.941 8.810 0.131 1
1 681 . 6 1 1 A 61 61 PHE HA H 61 3.798 4.163 -0.365 1
1 689 . 6 1 1 A 61 61 PHE C C 61 178.097 178.032 0.065 1
1 690 . 6 1 1 A 61 61 PHE CA C 61 63.866 61.635 2.231 1
1 691 . 6 1 1 A 61 61 PHE CB C 61 39.642 38.511 1.131 1
1 697 . 6 1 1 A 61 61 PHE N N 61 118.838 118.095 0.743 1
1 698 . 6 1 1 A 62 62 SER H H 62 8.179 8.804 -0.625 1
1 699 . 6 1 1 A 62 62 SER HA H 62 4.134 4.160 -0.026 1
1 702 . 6 1 1 A 62 62 SER C C 62 177.996 177.117 0.879 1
1 703 . 6 1 1 A 62 62 SER CA C 62 62.064 61.884 0.180 1
1 704 . 6 1 1 A 62 62 SER CB C 62 62.890 62.969 -0.079 1
1 705 . 6 1 1 A 62 62 SER N N 62 113.145 114.569 -1.424 1
1 706 . 6 1 1 A 63 63 GLU H H 63 8.027 8.168 -0.141 1
1 707 . 6 1 1 A 63 63 GLU HA H 63 3.910 4.039 -0.129 1
1 711 . 6 1 1 A 63 63 GLU C C 63 178.729 178.547 0.182 1
1 712 . 6 1 1 A 63 63 GLU CA C 63 58.637 59.240 -0.603 1
1 713 . 6 1 1 A 63 63 GLU CB C 63 29.188 29.466 -0.278 1
1 715 . 6 1 1 A 63 63 GLU N N 63 120.533 121.129 -0.596 1
1 716 . 6 1 1 A 64 64 ARG H H 64 8.166 7.819 0.347 1
1 717 . 6 1 1 A 64 64 ARG HA H 64 3.498 3.535 -0.037 1
1 725 . 6 1 1 A 64 64 ARG C C 64 179.466 178.501 0.965 1
1 726 . 6 1 1 A 64 64 ARG CA C 64 56.502 58.743 -2.241 1
1 727 . 6 1 1 A 64 64 ARG CB C 64 28.148 28.936 -0.788 1
1 730 . 6 1 1 A 64 64 ARG N N 64 122.505 120.177 2.328 1
1 732 . 6 1 1 A 65 65 ARG H H 65 8.002 7.973 0.029 1
1 733 . 6 1 1 A 65 65 ARG HA H 65 4.086 4.167 -0.081 1
1 740 . 6 1 1 A 65 65 ARG C C 65 177.832 179.008 -1.176 1
1 741 . 6 1 1 A 65 65 ARG CA C 65 60.054 59.984 0.070 1
1 742 . 6 1 1 A 65 65 ARG CB C 65 31.425 30.162 1.263 1
1 745 . 6 1 1 A 65 65 ARG N N 65 117.887 118.177 -0.290 1
1 746 . 6 1 1 A 66 66 LYS H H 66 7.356 8.165 -0.809 1
1 747 . 6 1 1 A 66 66 LYS HA H 66 4.141 3.975 0.166 1
1 753 . 6 1 1 A 66 66 LYS C C 66 178.353 178.982 -0.629 1
1 754 . 6 1 1 A 66 66 LYS CA C 66 58.444 59.098 -0.654 1
1 755 . 6 1 1 A 66 66 LYS CB C 66 32.288 32.215 0.073 1
1 759 . 6 1 1 A 66 66 LYS N N 66 118.479 119.839 -1.360 1
1 760 . 6 1 1 A 67 67 LEU H H 67 7.604 7.868 -0.264 1
1 761 . 6 1 1 A 67 67 LEU HA H 67 4.143 3.914 0.229 1
1 771 . 6 1 1 A 67 67 LEU C C 67 178.510 179.017 -0.507 1
1 772 . 6 1 1 A 67 67 LEU CA C 67 56.712 57.601 -0.889 1
1 773 . 6 1 1 A 67 67 LEU CB C 67 41.857 41.544 0.313 1
1 777 . 6 1 1 A 67 67 LEU N N 67 120.424 120.417 0.007 1
1 778 . 6 1 1 A 68 68 ARG H H 68 7.914 7.780 0.134 1
1 779 . 6 1 1 A 68 68 ARG HA H 68 4.262 3.881 0.381 1
1 786 . 6 1 1 A 68 68 ARG C C 68 177.396 178.171 -0.775 1
1 787 . 6 1 1 A 68 68 ARG CA C 68 57.589 59.816 -2.227 1
1 788 . 6 1 1 A 68 68 ARG CB C 68 30.211 29.901 0.310 1
1 791 . 6 1 1 A 68 68 ARG N N 68 120.638 118.955 1.683 1
1 792 . 6 1 1 A 69 69 ASP H H 69 8.337 8.237 0.100 1
1 793 . 6 1 1 A 69 69 ASP HA H 69 4.592 4.314 0.278 1
1 796 . 6 1 1 A 69 69 ASP C C 69 176.826 178.178 -1.352 1
1 797 . 6 1 1 A 69 69 ASP CA C 69 55.527 57.674 -2.147 1
1 798 . 6 1 1 A 69 69 ASP CB C 69 40.833 41.817 -0.984 1
1 799 . 6 1 1 A 69 69 ASP N N 69 119.845 120.032 -0.187 1
1 800 . 6 1 1 A 70 70 SER H H 70 8.002 7.915 0.087 1
1 801 . 6 1 1 A 70 70 SER HA H 70 4.473 4.141 0.332 1
1 804 . 6 1 1 A 70 70 SER C C 70 174.524 176.161 -1.637 1
1 805 . 6 1 1 A 70 70 SER CA C 70 59.070 61.946 -2.876 1
1 806 . 6 1 1 A 70 70 SER CB C 70 63.887 62.864 1.023 1
1 807 . 6 1 1 A 70 70 SER N N 70 114.740 115.972 -1.232 1
1 808 . 6 1 1 A 71 71 MET H H 71 8.117 7.901 0.216 1
1 809 . 6 1 1 A 71 71 MET HA H 71 4.559 3.947 0.612 1
1 817 . 6 1 1 A 71 71 MET C C 71 175.392 176.778 -1.386 1
1 818 . 6 1 1 A 71 71 MET CA C 71 55.711 58.739 -3.028 1
1 819 . 6 1 1 A 71 71 MET CB C 71 33.246 32.186 1.060 1
1 822 . 6 1 1 A 71 71 MET N N 71 121.694 121.330 0.364 1
1 823 . 6 1 1 A 72 72 GLU HA H 72 4.245 4.397 -0.152 1
1 827 . 6 1 1 A 72 72 GLU C C 72 177.767 176.377 1.390 1
1 828 . 6 1 1 A 72 72 GLU CA C 72 57.871 56.636 1.235 1
1 829 . 6 1 1 A 72 72 GLU CB C 72 29.798 30.740 -0.942 1
1 831 . 6 1 1 A 73 73 GLN H H 73 8.210 8.469 -0.259 1
1 832 . 6 1 1 A 73 73 GLN HA H 73 4.177 4.502 -0.325 1
1 836 . 6 1 1 A 73 73 GLN C C 73 176.422 174.874 1.548 1
1 837 . 6 1 1 A 73 73 GLN CA C 73 56.899 56.190 0.709 1
1 838 . 6 1 1 A 73 73 GLN CB C 73 28.852 29.111 -0.259 1
1 840 . 6 1 1 A 73 73 GLN N N 73 120.076 121.955 -1.879 1
1 841 . 6 1 1 A 74 74 ALA H H 74 8.099 8.675 -0.576 1
1 842 . 6 1 1 A 74 74 ALA HA H 74 4.239 4.905 -0.666 1
1 846 . 6 1 1 A 74 74 ALA C C 74 178.960 176.171 2.789 1
1 847 . 6 1 1 A 74 74 ALA CA C 74 53.837 51.264 2.573 1
1 848 . 6 1 1 A 74 74 ALA CB C 74 18.794 23.134 -4.340 1
1 849 . 6 1 1 A 74 74 ALA N N 74 123.168 128.524 -5.356 1
1 850 . 6 1 1 A 75 75 VAL H H 75 7.886 8.597 -0.711 1
1 851 . 6 1 1 A 75 75 VAL HA H 75 3.985 4.211 -0.226 1
1 859 . 6 1 1 A 75 75 VAL C C 75 177.376 175.698 1.678 1
1 860 . 6 1 1 A 75 75 VAL CA C 75 63.895 63.583 0.312 1
1 861 . 6 1 1 A 75 75 VAL CB C 75 32.450 30.827 1.623 1
1 864 . 6 1 1 A 75 75 VAL N N 75 119.018 122.413 -3.395 1
1 865 . 6 1 1 A 76 76 LEU H H 76 8.074 8.470 -0.396 1
1 866 . 6 1 1 A 76 76 LEU HA H 76 4.291 4.805 -0.514 1
1 876 . 6 1 1 A 76 76 LEU C C 76 178.363 175.271 3.092 1
1 877 . 6 1 1 A 76 76 LEU CA C 76 56.247 53.795 2.452 1
1 878 . 6 1 1 A 76 76 LEU CB C 76 42.342 44.739 -2.397 1
1 882 . 6 1 1 A 76 76 LEU N N 76 124.324 123.644 0.680 1
1 883 . 6 1 1 A 77 77 ASP H H 77 8.443 8.696 -0.253 1
1 884 . 6 1 1 A 77 77 ASP HA H 77 4.593 4.640 -0.047 1
1 887 . 6 1 1 A 77 77 ASP C C 77 177.224 176.197 1.027 1
1 888 . 6 1 1 A 77 77 ASP CA C 77 55.364 54.764 0.600 1
1 889 . 6 1 1 A 77 77 ASP CB C 77 40.970 41.236 -0.266 1
1 890 . 6 1 1 A 77 77 ASP N N 77 120.595 120.116 0.479 1
1 891 . 6 1 1 A 78 78 SER H H 78 8.121 8.573 -0.452 1
1 892 . 6 1 1 A 78 78 SER HA H 78 4.421 4.580 -0.159 1
1 894 . 6 1 1 A 78 78 SER C C 78 175.244 174.432 0.812 1
1 895 . 6 1 1 A 78 78 SER CA C 78 58.809 58.177 0.632 1
1 896 . 6 1 1 A 78 78 SER CB C 78 63.674 63.467 0.207 1
1 897 . 6 1 1 A 78 78 SER N N 78 115.700 116.437 -0.737 1
1 898 . 6 1 1 A 79 79 MET H H 79 8.202 8.749 -0.547 1
1 899 . 6 1 1 A 79 79 MET HA H 79 4.525 5.208 -0.683 1
1 903 . 6 1 1 A 79 79 MET C C 79 177.199 175.129 2.070 1
1 904 . 6 1 1 A 79 79 MET CA C 79 56.010 54.676 1.334 1
1 905 . 6 1 1 A 79 79 MET CB C 79 32.610 37.352 -4.742 1
1 907 . 6 1 1 A 79 79 MET N N 79 121.204 122.726 -1.522 1
1 908 . 6 1 1 A 80 80 GLY H H 80 8.268 8.490 -0.222 1
1 909 . 6 1 1 A 80 80 GLY C C 80 174.529 172.468 2.061 1
1 910 . 6 1 1 A 80 80 GLY CA C 80 45.637 44.887 0.750 1
1 911 . 6 1 1 A 80 80 GLY N N 80 109.108 110.151 -1.043 1
1 912 . 6 1 1 A 81 81 SER HA H 81 4.478 5.211 -0.733 1
1 915 . 6 1 1 A 81 81 SER C C 81 175.336 172.988 2.348 1
1 916 . 6 1 1 A 81 81 SER CA C 81 58.701 57.108 1.593 1
1 917 . 6 1 1 A 81 81 SER CB C 81 63.977 66.030 -2.053 1
1 918 . 6 1 1 A 82 82 GLY H H 82 8.526 8.434 0.092 1
1 919 . 6 1 1 A 82 82 GLY HA2 H 82 4.018 4.155 -0.137 1
1 920 . 6 1 1 A 82 82 GLY HA3 H 82 4.018 4.156 -0.138 1
1 921 . 6 1 1 A 82 82 GLY C C 82 174.290 171.820 2.470 1
1 922 . 6 1 1 A 82 82 GLY CA C 82 45.485 44.960 0.525 1
1 923 . 6 1 1 A 82 82 GLY N N 82 110.928 109.117 1.811 1
1 924 . 6 1 1 A 83 83 LYS H H 83 8.159 8.500 -0.341 1
1 925 . 6 1 1 A 83 83 LYS C C 83 176.692 174.216 2.476 1
1 926 . 6 1 1 A 83 83 LYS CA C 83 56.216 55.554 0.662 1
1 927 . 6 1 1 A 83 83 LYS CB C 83 33.201 36.903 -3.702 1
1 928 . 6 1 1 A 83 83 LYS N N 83 120.759 123.583 -2.824 1
1 929 . 6 1 1 A 88 88 SER HA H 88 4.509 4.323 0.186 1
1 932 . 6 1 1 A 88 88 SER C C 88 173.946 174.972 -1.026 1
1 933 . 6 1 1 A 88 88 SER CA C 88 58.432 60.331 -1.899 1
1 934 . 6 1 1 A 88 88 SER CB C 88 64.208 63.430 0.778 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.940 4.079 -0.139 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.940 4.079 -0.139 1
1 3 . 7 1 1 A 7 7 GLY C C 7 173.532 173.350 0.182 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.255 45.450 -0.195 1
1 5 . 7 1 1 A 8 8 ALA H H 8 8.010 7.950 0.060 1
1 6 . 7 1 1 A 8 8 ALA HA H 8 4.259 4.897 -0.638 1
1 10 . 7 1 1 A 8 8 ALA C C 8 176.987 175.629 1.358 1
1 11 . 7 1 1 A 8 8 ALA CA C 8 52.334 51.108 1.226 1
1 12 . 7 1 1 A 8 8 ALA CB C 8 19.389 22.903 -3.514 1
1 13 . 7 1 1 A 8 8 ALA N N 8 123.317 124.072 -0.755 1
1 14 . 7 1 1 A 9 9 TYR H H 9 8.110 8.376 -0.266 1
1 15 . 7 1 1 A 9 9 TYR HA H 9 4.832 4.718 0.114 1
1 22 . 7 1 1 A 9 9 TYR C C 9 174.112 174.465 -0.353 1
1 23 . 7 1 1 A 9 9 TYR CA C 9 55.642 56.822 -1.180 1
1 24 . 7 1 1 A 9 9 TYR CB C 9 38.292 37.865 0.427 1
1 29 . 7 1 1 A 9 9 TYR N N 9 120.065 118.910 1.155 1
1 30 . 7 1 1 A 10 10 PRO HA H 10 4.377 4.790 -0.413 1
1 36 . 7 1 1 A 10 10 PRO C C 10 176.388 176.068 0.320 1
1 37 . 7 1 1 A 10 10 PRO CA C 10 63.332 62.778 0.554 1
1 38 . 7 1 1 A 10 10 PRO CB C 10 31.985 31.813 0.172 1
1 41 . 7 1 1 A 11 11 ASP H H 11 8.249 8.476 -0.227 1
1 42 . 7 1 1 A 11 11 ASP HA H 11 4.537 5.295 -0.758 1
1 45 . 7 1 1 A 11 11 ASP C C 11 175.893 174.617 1.276 1
1 46 . 7 1 1 A 11 11 ASP CA C 11 54.410 52.577 1.833 1
1 47 . 7 1 1 A 11 11 ASP CB C 11 41.149 44.170 -3.021 1
1 48 . 7 1 1 A 11 11 ASP N N 11 119.884 117.810 2.074 1
1 49 . 7 1 1 A 12 12 PHE H H 12 8.028 8.204 -0.176 1
1 50 . 7 1 1 A 12 12 PHE HA H 12 4.616 5.655 -1.039 1
1 55 . 7 1 1 A 12 12 PHE C C 12 175.001 174.545 0.456 1
1 56 . 7 1 1 A 12 12 PHE CA C 12 57.417 54.919 2.498 1
1 57 . 7 1 1 A 12 12 PHE CB C 12 39.577 42.447 -2.870 1
1 60 . 7 1 1 A 12 12 PHE N N 12 119.972 117.957 2.015 1
1 61 . 7 1 1 A 13 13 ALA H H 13 8.118 8.944 -0.826 1
1 62 . 7 1 1 A 13 13 ALA HA H 13 4.570 4.911 -0.341 1
1 66 . 7 1 1 A 13 13 ALA C C 13 175.002 175.353 -0.351 1
1 67 . 7 1 1 A 13 13 ALA CA C 13 50.500 49.667 0.833 1
1 68 . 7 1 1 A 13 13 ALA CB C 13 18.532 20.524 -1.992 1
1 69 . 7 1 1 A 13 13 ALA N N 13 126.968 123.042 3.926 1
1 70 . 7 1 1 A 14 14 PRO HA H 14 4.349 4.649 -0.300 1
1 76 . 7 1 1 A 14 14 PRO C C 14 177.054 176.174 0.880 1
1 77 . 7 1 1 A 14 14 PRO CA C 14 63.380 62.310 1.070 1
1 78 . 7 1 1 A 14 14 PRO CB C 14 31.960 33.084 -1.124 1
1 81 . 7 1 1 A 15 15 GLN H H 15 8.411 8.410 0.001 1
1 82 . 7 1 1 A 15 15 GLN HA H 15 4.221 4.901 -0.680 1
1 88 . 7 1 1 A 15 15 GLN C C 15 175.815 174.955 0.860 1
1 89 . 7 1 1 A 15 15 GLN CA C 15 55.929 54.573 1.356 1
1 90 . 7 1 1 A 15 15 GLN CB C 15 29.270 30.534 -1.264 1
1 92 . 7 1 1 A 15 15 GLN N N 15 120.172 117.826 2.346 1
1 94 . 7 1 1 A 16 16 LYS H H 16 8.171 8.465 -0.294 1
1 95 . 7 1 1 A 16 16 LYS HA H 16 4.234 4.691 -0.457 1
1 102 . 7 1 1 A 16 16 LYS C C 16 176.196 176.110 0.086 1
1 103 . 7 1 1 A 16 16 LYS CA C 16 56.236 54.570 1.666 1
1 104 . 7 1 1 A 16 16 LYS CB C 16 33.171 36.197 -3.026 1
1 108 . 7 1 1 A 16 16 LYS N N 16 122.238 123.327 -1.089 1
1 109 . 7 1 1 A 17 17 PHE H H 17 8.257 8.540 -0.283 1
1 110 . 7 1 1 A 17 17 PHE HA H 17 4.715 4.623 0.092 1
1 117 . 7 1 1 A 17 17 PHE C C 17 175.737 176.034 -0.297 1
1 118 . 7 1 1 A 17 17 PHE CA C 17 57.341 58.775 -1.434 1
1 119 . 7 1 1 A 17 17 PHE CB C 17 39.776 39.761 0.015 1
1 124 . 7 1 1 A 17 17 PHE N N 17 121.572 121.101 0.471 1
1 125 . 7 1 1 A 18 18 LYS H H 18 8.411 8.938 -0.527 1
1 126 . 7 1 1 A 18 18 LYS HA H 18 4.285 4.994 -0.709 1
1 132 . 7 1 1 A 18 18 LYS C C 18 176.317 176.383 -0.066 1
1 133 . 7 1 1 A 18 18 LYS CA C 18 56.146 54.246 1.900 1
1 134 . 7 1 1 A 18 18 LYS CB C 18 33.269 36.462 -3.193 1
1 138 . 7 1 1 A 18 18 LYS N N 18 123.072 120.569 2.503 1
1 139 . 7 1 1 A 19 19 GLU H H 19 8.494 8.758 -0.264 1
1 140 . 7 1 1 A 19 19 GLU HA H 19 4.243 4.590 -0.347 1
1 144 . 7 1 1 A 19 19 GLU C C 19 176.811 175.668 1.143 1
1 145 . 7 1 1 A 19 19 GLU CA C 19 56.916 56.306 0.610 1
1 146 . 7 1 1 A 19 19 GLU CB C 19 30.158 30.407 -0.249 1
1 148 . 7 1 1 A 19 19 GLU N N 19 123.032 119.932 3.100 1
1 149 . 7 1 1 A 20 20 LYS H H 20 8.530 7.505 1.025 1
1 150 . 7 1 1 A 20 20 LYS HA H 20 4.560 4.849 -0.289 1
1 159 . 7 1 1 A 20 20 LYS C C 20 177.491 175.692 1.799 1
1 160 . 7 1 1 A 20 20 LYS CA C 20 56.105 54.928 1.177 1
1 161 . 7 1 1 A 20 20 LYS CB C 20 34.248 37.465 -3.217 1
1 165 . 7 1 1 A 20 20 LYS N N 20 123.545 118.213 5.332 1
1 166 . 7 1 1 A 21 21 THR H H 21 8.868 8.433 0.435 1
1 167 . 7 1 1 A 21 21 THR HA H 21 4.448 4.428 0.020 1
1 172 . 7 1 1 A 21 21 THR C C 21 175.491 176.102 -0.611 1
1 173 . 7 1 1 A 21 21 THR CA C 21 60.686 63.166 -2.480 1
1 174 . 7 1 1 A 21 21 THR CB C 21 70.760 69.461 1.299 1
1 176 . 7 1 1 A 21 21 THR N N 21 113.437 116.631 -3.194 1
1 177 . 7 1 1 A 22 22 GLN H H 22 8.993 8.785 0.208 1
1 178 . 7 1 1 A 22 22 GLN HA H 22 4.055 3.971 0.084 1
1 183 . 7 1 1 A 22 22 GLN C C 22 178.882 178.792 0.090 1
1 184 . 7 1 1 A 22 22 GLN CA C 22 58.899 58.860 0.039 1
1 185 . 7 1 1 A 22 22 GLN CB C 22 28.366 28.444 -0.078 1
1 187 . 7 1 1 A 22 22 GLN N N 22 120.458 124.561 -4.103 1
1 188 . 7 1 1 A 23 23 GLY H H 23 8.580 8.476 0.104 1
1 189 . 7 1 1 A 23 23 GLY HA2 H 23 3.843 3.784 0.059 1
1 190 . 7 1 1 A 23 23 GLY HA3 H 23 3.843 3.784 0.059 1
1 191 . 7 1 1 A 23 23 GLY C C 23 176.518 175.941 0.577 1
1 192 . 7 1 1 A 23 23 GLY CA C 23 46.750 47.307 -0.557 1
1 193 . 7 1 1 A 23 23 GLY N N 23 107.047 109.596 -2.549 1
1 194 . 7 1 1 A 24 24 GLN H H 24 7.771 7.929 -0.158 1
1 195 . 7 1 1 A 24 24 GLN HA H 24 3.844 3.899 -0.055 1
1 202 . 7 1 1 A 24 24 GLN C C 24 177.564 178.607 -1.043 1
1 203 . 7 1 1 A 24 24 GLN CA C 24 59.397 58.716 0.681 1
1 204 . 7 1 1 A 24 24 GLN CB C 24 29.250 28.374 0.876 1
1 206 . 7 1 1 A 24 24 GLN N N 24 120.555 120.842 -0.287 1
1 208 . 7 1 1 A 25 25 VAL H H 25 8.029 7.813 0.216 1
1 209 . 7 1 1 A 25 25 VAL HA H 25 3.163 3.242 -0.079 1
1 217 . 7 1 1 A 25 25 VAL C C 25 176.630 177.981 -1.351 1
1 218 . 7 1 1 A 25 25 VAL CA C 25 66.856 66.811 0.045 1
1 219 . 7 1 1 A 25 25 VAL CB C 25 31.543 31.493 0.050 1
1 222 . 7 1 1 A 25 25 VAL N N 25 117.187 120.154 -2.967 1
1 223 . 7 1 1 A 26 26 LYS H H 26 7.924 8.443 -0.519 1
1 224 . 7 1 1 A 26 26 LYS HA H 26 3.995 3.913 0.082 1
1 230 . 7 1 1 A 26 26 LYS C C 26 178.199 178.635 -0.436 1
1 231 . 7 1 1 A 26 26 LYS CA C 26 59.506 59.797 -0.291 1
1 232 . 7 1 1 A 26 26 LYS CB C 26 32.209 32.211 -0.002 1
1 236 . 7 1 1 A 26 26 LYS N N 26 119.341 120.611 -1.270 1
1 237 . 7 1 1 A 27 27 ILE H H 27 7.033 7.950 -0.917 1
1 238 . 7 1 1 A 27 27 ILE HA H 27 3.706 3.639 0.067 1
1 248 . 7 1 1 A 27 27 ILE C C 27 179.280 178.813 0.467 1
1 249 . 7 1 1 A 27 27 ILE CA C 27 64.803 64.978 -0.175 1
1 250 . 7 1 1 A 27 27 ILE CB C 27 38.361 37.373 0.988 1
1 254 . 7 1 1 A 27 27 ILE N N 27 117.901 120.544 -2.643 1
1 255 . 7 1 1 A 28 28 LEU H H 28 7.400 7.571 -0.171 1
1 256 . 7 1 1 A 28 28 LEU HA H 28 3.563 3.942 -0.379 1
1 266 . 7 1 1 A 28 28 LEU C C 28 177.369 178.612 -1.243 1
1 267 . 7 1 1 A 28 28 LEU CA C 28 58.256 57.806 0.450 1
1 268 . 7 1 1 A 28 28 LEU CB C 28 37.957 40.759 -2.802 1
1 272 . 7 1 1 A 28 28 LEU N N 28 121.290 120.289 1.001 1
1 273 . 7 1 1 A 29 29 GLU H H 29 8.880 8.533 0.347 1
1 274 . 7 1 1 A 29 29 GLU HA H 29 4.327 4.073 0.254 1
1 278 . 7 1 1 A 29 29 GLU C C 29 179.216 178.834 0.382 1
1 279 . 7 1 1 A 29 29 GLU CA C 29 59.430 59.853 -0.423 1
1 280 . 7 1 1 A 29 29 GLU CB C 29 29.276 29.258 0.018 1
1 282 . 7 1 1 A 29 29 GLU N N 29 120.487 117.599 2.888 1
1 283 . 7 1 1 A 30 30 ASP H H 30 8.313 8.119 0.194 1
1 284 . 7 1 1 A 30 30 ASP HA H 30 4.422 4.401 0.021 1
1 287 . 7 1 1 A 30 30 ASP C C 30 179.036 178.378 0.658 1
1 288 . 7 1 1 A 30 30 ASP CA C 30 57.388 57.716 -0.328 1
1 289 . 7 1 1 A 30 30 ASP CB C 30 40.547 42.141 -1.594 1
1 290 . 7 1 1 A 30 30 ASP N N 30 118.471 120.643 -2.172 1
1 291 . 7 1 1 A 31 31 SER H H 31 7.406 7.872 -0.466 1
1 292 . 7 1 1 A 31 31 SER HA H 31 4.290 4.281 0.009 1
1 295 . 7 1 1 A 31 31 SER C C 31 177.290 176.987 0.303 1
1 296 . 7 1 1 A 31 31 SER CA C 31 61.575 61.569 0.006 1
1 297 . 7 1 1 A 31 31 SER CB C 31 63.167 62.992 0.175 1
1 298 . 7 1 1 A 31 31 SER N N 31 113.187 114.135 -0.948 1
1 299 . 7 1 1 A 32 32 PHE H H 32 9.117 8.476 0.641 1
1 300 . 7 1 1 A 32 32 PHE HA H 32 4.369 4.209 0.160 1
1 308 . 7 1 1 A 32 32 PHE C C 32 176.545 177.292 -0.747 1
1 309 . 7 1 1 A 32 32 PHE CA C 32 61.569 61.712 -0.143 1
1 310 . 7 1 1 A 32 32 PHE CB C 32 39.362 39.022 0.340 1
1 316 . 7 1 1 A 32 32 PHE N N 32 121.840 122.362 -0.522 1
1 317 . 7 1 1 A 33 33 LEU H H 33 8.235 8.941 -0.706 1
1 318 . 7 1 1 A 33 33 LEU HA H 33 3.965 4.125 -0.160 1
1 328 . 7 1 1 A 33 33 LEU C C 33 179.575 179.237 0.338 1
1 329 . 7 1 1 A 33 33 LEU CA C 33 56.998 58.426 -1.428 1
1 330 . 7 1 1 A 33 33 LEU CB C 33 42.053 41.853 0.200 1
1 334 . 7 1 1 A 33 33 LEU N N 33 115.363 120.170 -4.807 1
1 335 . 7 1 1 A 34 34 LYS H H 34 7.509 7.897 -0.388 1
1 336 . 7 1 1 A 34 34 LYS HA H 34 4.174 4.216 -0.042 1
1 343 . 7 1 1 A 34 34 LYS C C 34 178.190 176.958 1.232 1
1 344 . 7 1 1 A 34 34 LYS CA C 34 58.819 58.371 0.448 1
1 345 . 7 1 1 A 34 34 LYS CB C 34 32.352 33.125 -0.773 1
1 349 . 7 1 1 A 34 34 LYS N N 34 119.688 117.227 2.461 1
1 350 . 7 1 1 A 35 35 SER H H 35 8.130 8.089 0.041 1
1 351 . 7 1 1 A 35 35 SER HA H 35 4.379 4.740 -0.361 1
1 354 . 7 1 1 A 35 35 SER C C 35 174.000 174.447 -0.447 1
1 355 . 7 1 1 A 35 35 SER CA C 35 58.202 56.858 1.344 1
1 356 . 7 1 1 A 35 35 SER CB C 35 64.375 64.966 -0.591 1
1 357 . 7 1 1 A 35 35 SER N N 35 112.275 112.814 -0.539 1
1 358 . 7 1 1 A 36 36 SER H H 36 8.404 8.610 -0.206 1
1 359 . 7 1 1 A 36 36 SER HA H 36 3.952 2.802 1.150 1
1 362 . 7 1 1 A 36 36 SER C C 36 172.467 174.644 -2.177 1
1 363 . 7 1 1 A 36 36 SER CA C 36 59.127 61.596 -2.469 1
1 364 . 7 1 1 A 36 36 SER CB C 36 63.788 62.579 1.209 1
1 365 . 7 1 1 A 36 36 SER N N 36 121.307 119.315 1.992 1
1 366 . 7 1 1 A 37 37 PHE H H 37 7.735 8.140 -0.405 1
1 367 . 7 1 1 A 37 37 PHE HA H 37 4.859 4.942 -0.083 1
1 375 . 7 1 1 A 37 37 PHE C C 37 172.549 174.121 -1.572 1
1 376 . 7 1 1 A 37 37 PHE CA C 37 55.604 55.295 0.309 1
1 377 . 7 1 1 A 37 37 PHE CB C 37 39.842 38.926 0.916 1
1 383 . 7 1 1 A 37 37 PHE N N 37 118.373 119.737 -1.364 1
1 384 . 7 1 1 A 38 38 PRO HA H 38 4.391 4.649 -0.258 1
1 391 . 7 1 1 A 38 38 PRO C C 38 177.660 176.012 1.648 1
1 392 . 7 1 1 A 38 38 PRO CA C 38 62.193 62.612 -0.419 1
1 393 . 7 1 1 A 38 38 PRO CB C 38 31.490 32.436 -0.946 1
1 396 . 7 1 1 A 39 39 THR H H 39 7.809 8.420 -0.611 1
1 397 . 7 1 1 A 39 39 THR HA H 39 4.322 4.652 -0.330 1
1 402 . 7 1 1 A 39 39 THR C C 39 174.966 175.362 -0.396 1
1 403 . 7 1 1 A 39 39 THR CA C 39 60.648 60.320 0.328 1
1 404 . 7 1 1 A 39 39 THR CB C 39 71.192 70.622 0.570 1
1 406 . 7 1 1 A 39 39 THR N N 39 111.373 116.427 -5.054 1
1 407 . 7 1 1 A 40 40 GLN H H 40 8.880 8.958 -0.078 1
1 408 . 7 1 1 A 40 40 GLN HA H 40 3.907 3.935 -0.028 1
1 414 . 7 1 1 A 40 40 GLN C C 40 177.855 177.776 0.079 1
1 415 . 7 1 1 A 40 40 GLN CA C 40 59.243 59.425 -0.182 1
1 416 . 7 1 1 A 40 40 GLN CB C 40 28.107 28.467 -0.360 1
1 418 . 7 1 1 A 40 40 GLN N N 40 120.143 126.523 -6.380 1
1 420 . 7 1 1 A 41 41 ALA H H 41 8.286 8.023 0.263 1
1 421 . 7 1 1 A 41 41 ALA HA H 41 4.212 4.111 0.101 1
1 425 . 7 1 1 A 41 41 ALA C C 41 180.741 179.028 1.713 1
1 426 . 7 1 1 A 41 41 ALA CA C 41 55.009 55.054 -0.045 1
1 427 . 7 1 1 A 41 41 ALA CB C 41 18.111 18.343 -0.232 1
1 428 . 7 1 1 A 41 41 ALA N N 41 119.773 122.167 -2.394 1
1 429 . 7 1 1 A 42 42 GLU H H 42 7.772 8.350 -0.578 1
1 430 . 7 1 1 A 42 42 GLU HA H 42 4.673 3.992 0.681 1
1 435 . 7 1 1 A 42 42 GLU C C 42 178.478 178.623 -0.145 1
1 436 . 7 1 1 A 42 42 GLU CA C 42 57.730 59.712 -1.982 1
1 437 . 7 1 1 A 42 42 GLU CB C 42 28.610 29.541 -0.931 1
1 439 . 7 1 1 A 42 42 GLU N N 42 122.141 118.377 3.764 1
1 440 . 7 1 1 A 43 43 LEU H H 43 8.472 8.338 0.134 1
1 441 . 7 1 1 A 43 43 LEU HA H 43 3.924 3.826 0.098 1
1 451 . 7 1 1 A 43 43 LEU C C 43 179.842 178.456 1.386 1
1 452 . 7 1 1 A 43 43 LEU CA C 43 58.828 57.742 1.086 1
1 453 . 7 1 1 A 43 43 LEU CB C 43 41.540 41.531 0.009 1
1 457 . 7 1 1 A 43 43 LEU N N 43 121.542 120.630 0.912 1
1 458 . 7 1 1 A 44 44 ASP H H 44 8.384 8.207 0.177 1
1 459 . 7 1 1 A 44 44 ASP HA H 44 4.447 4.232 0.215 1
1 462 . 7 1 1 A 44 44 ASP C C 44 178.428 178.795 -0.367 1
1 463 . 7 1 1 A 44 44 ASP CA C 44 57.812 57.511 0.301 1
1 464 . 7 1 1 A 44 44 ASP CB C 44 40.226 40.868 -0.642 1
1 465 . 7 1 1 A 44 44 ASP N N 44 119.756 118.141 1.615 1
1 466 . 7 1 1 A 45 45 ARG H H 45 7.979 7.981 -0.002 1
1 467 . 7 1 1 A 45 45 ARG HA H 45 4.058 4.183 -0.125 1
1 475 . 7 1 1 A 45 45 ARG C C 45 179.249 178.749 0.500 1
1 476 . 7 1 1 A 45 45 ARG CA C 45 59.629 58.380 1.249 1
1 477 . 7 1 1 A 45 45 ARG CB C 45 30.553 29.901 0.652 1
1 480 . 7 1 1 A 45 45 ARG N N 45 123.029 120.187 2.842 1
1 482 . 7 1 1 A 46 46 LEU H H 46 8.943 8.312 0.631 1
1 483 . 7 1 1 A 46 46 LEU HA H 46 3.922 3.984 -0.062 1
1 493 . 7 1 1 A 46 46 LEU C C 46 180.973 179.164 1.809 1
1 494 . 7 1 1 A 46 46 LEU CA C 46 57.885 57.838 0.047 1
1 495 . 7 1 1 A 46 46 LEU CB C 46 42.943 41.335 1.608 1
1 499 . 7 1 1 A 46 46 LEU N N 46 118.282 119.641 -1.359 1
1 500 . 7 1 1 A 47 47 ARG H H 47 8.421 8.557 -0.136 1
1 501 . 7 1 1 A 47 47 ARG HA H 47 4.050 4.010 0.040 1
1 508 . 7 1 1 A 47 47 ARG C C 47 178.760 178.447 0.313 1
1 509 . 7 1 1 A 47 47 ARG CA C 47 60.366 59.153 1.213 1
1 510 . 7 1 1 A 47 47 ARG CB C 47 29.957 29.940 0.017 1
1 513 . 7 1 1 A 47 47 ARG N N 47 125.416 117.885 7.531 1
1 514 . 7 1 1 A 48 48 VAL H H 48 7.626 7.741 -0.115 1
1 515 . 7 1 1 A 48 48 VAL HA H 48 3.700 3.745 -0.045 1
1 523 . 7 1 1 A 48 48 VAL C C 48 178.628 177.656 0.972 1
1 524 . 7 1 1 A 48 48 VAL CA C 48 66.325 64.964 1.361 1
1 525 . 7 1 1 A 48 48 VAL CB C 48 31.902 31.268 0.634 1
1 528 . 7 1 1 A 48 48 VAL N N 48 119.769 119.628 0.141 1
1 529 . 7 1 1 A 49 49 GLU H H 49 8.419 8.649 -0.230 1
1 530 . 7 1 1 A 49 49 GLU HA H 49 4.202 4.008 0.194 1
1 534 . 7 1 1 A 49 49 GLU C C 49 178.866 178.721 0.145 1
1 535 . 7 1 1 A 49 49 GLU CA C 49 59.062 59.361 -0.299 1
1 536 . 7 1 1 A 49 49 GLU CB C 49 30.950 29.474 1.476 1
1 538 . 7 1 1 A 49 49 GLU N N 49 116.074 121.204 -5.130 1
1 539 . 7 1 1 A 50 50 THR H H 50 8.436 8.100 0.336 1
1 540 . 7 1 1 A 50 50 THR HA H 50 4.335 4.246 0.089 1
1 545 . 7 1 1 A 50 50 THR C C 50 175.412 174.291 1.121 1
1 546 . 7 1 1 A 50 50 THR CA C 50 63.447 62.467 0.980 1
1 547 . 7 1 1 A 50 50 THR CB C 50 71.702 69.519 2.183 1
1 549 . 7 1 1 A 50 50 THR N N 50 105.198 110.468 -5.270 1
1 550 . 7 1 1 A 51 51 LYS H H 51 7.745 7.873 -0.128 1
1 551 . 7 1 1 A 51 51 LYS HA H 51 4.032 3.778 0.254 1
1 559 . 7 1 1 A 51 51 LYS C C 51 175.949 174.713 1.236 1
1 560 . 7 1 1 A 51 51 LYS CA C 51 58.428 57.316 1.112 1
1 561 . 7 1 1 A 51 51 LYS CB C 51 29.225 29.207 0.018 1
1 565 . 7 1 1 A 51 51 LYS N N 51 114.904 116.836 -1.932 1
1 566 . 7 1 1 A 52 52 LEU H H 52 7.679 7.769 -0.090 1
1 567 . 7 1 1 A 52 52 LEU HA H 52 4.519 4.885 -0.366 1
1 577 . 7 1 1 A 52 52 LEU C C 52 176.301 175.778 0.523 1
1 578 . 7 1 1 A 52 52 LEU CA C 52 53.820 53.068 0.752 1
1 579 . 7 1 1 A 52 52 LEU CB C 52 43.987 45.913 -1.926 1
1 583 . 7 1 1 A 52 52 LEU N N 52 120.156 118.690 1.466 1
1 584 . 7 1 1 A 53 53 SER H H 53 8.599 8.789 -0.190 1
1 585 . 7 1 1 A 53 53 SER HA H 53 4.454 4.667 -0.213 1
1 588 . 7 1 1 A 53 53 SER C C 53 175.265 175.644 -0.379 1
1 589 . 7 1 1 A 53 53 SER CA C 53 57.586 57.114 0.472 1
1 590 . 7 1 1 A 53 53 SER CB C 53 65.402 65.095 0.307 1
1 591 . 7 1 1 A 53 53 SER N N 53 114.483 117.016 -2.533 1
1 592 . 7 1 1 A 54 54 ARG H H 54 9.030 8.898 0.132 1
1 593 . 7 1 1 A 54 54 ARG HA H 54 3.925 3.892 0.033 1
1 599 . 7 1 1 A 54 54 ARG C C 54 178.621 178.339 0.282 1
1 600 . 7 1 1 A 54 54 ARG CA C 54 59.660 60.178 -0.518 1
1 601 . 7 1 1 A 54 54 ARG CB C 54 29.594 30.081 -0.487 1
1 604 . 7 1 1 A 54 54 ARG N N 54 121.039 124.279 -3.240 1
1 605 . 7 1 1 A 55 55 ARG H H 55 8.472 7.995 0.477 1
1 606 . 7 1 1 A 55 55 ARG HA H 55 4.253 4.004 0.249 1
1 611 . 7 1 1 A 55 55 ARG C C 55 179.367 179.106 0.261 1
1 612 . 7 1 1 A 55 55 ARG CA C 55 59.387 59.417 -0.030 1
1 613 . 7 1 1 A 55 55 ARG CB C 55 30.068 30.183 -0.115 1
1 616 . 7 1 1 A 55 55 ARG N N 55 117.655 119.082 -1.427 1
1 617 . 7 1 1 A 56 56 GLU H H 56 7.849 8.261 -0.412 1
1 618 . 7 1 1 A 56 56 GLU HA H 56 3.909 4.032 -0.123 1
1 622 . 7 1 1 A 56 56 GLU C C 56 179.885 179.260 0.625 1
1 623 . 7 1 1 A 56 56 GLU CA C 56 59.421 59.419 0.002 1
1 624 . 7 1 1 A 56 56 GLU CB C 56 30.907 29.463 1.444 1
1 626 . 7 1 1 A 56 56 GLU N N 56 119.916 119.554 0.362 1
1 627 . 7 1 1 A 57 57 ILE H H 57 8.254 8.009 0.245 1
1 628 . 7 1 1 A 57 57 ILE HA H 57 3.732 3.689 0.043 1
1 638 . 7 1 1 A 57 57 ILE C C 57 177.586 177.785 -0.199 1
1 639 . 7 1 1 A 57 57 ILE CA C 57 66.553 65.851 0.702 1
1 640 . 7 1 1 A 57 57 ILE CB C 57 38.596 37.737 0.859 1
1 644 . 7 1 1 A 57 57 ILE N N 57 122.354 120.633 1.721 1
1 645 . 7 1 1 A 58 58 ASP H H 58 8.899 8.494 0.405 1
1 646 . 7 1 1 A 58 58 ASP HA H 58 4.621 4.273 0.348 1
1 649 . 7 1 1 A 58 58 ASP C C 58 180.161 178.516 1.645 1
1 650 . 7 1 1 A 58 58 ASP CA C 58 58.114 57.383 0.731 1
1 651 . 7 1 1 A 58 58 ASP CB C 58 40.817 40.831 -0.014 1
1 652 . 7 1 1 A 58 58 ASP N N 58 121.029 121.298 -0.269 1
1 653 . 7 1 1 A 59 59 SER H H 59 8.321 8.520 -0.199 1
1 654 . 7 1 1 A 59 59 SER HA H 59 4.371 4.221 0.150 1
1 656 . 7 1 1 A 59 59 SER C C 59 176.017 176.520 -0.503 1
1 657 . 7 1 1 A 59 59 SER CA C 59 61.870 61.368 0.502 1
1 658 . 7 1 1 A 59 59 SER CB C 59 63.076 62.194 0.882 1
1 659 . 7 1 1 A 59 59 SER N N 59 114.708 114.244 0.464 1
1 660 . 7 1 1 A 60 60 TRP H H 60 8.209 8.172 0.037 1
1 661 . 7 1 1 A 60 60 TRP HA H 60 4.019 4.415 -0.396 1
1 670 . 7 1 1 A 60 60 TRP C C 60 179.214 178.414 0.800 1
1 671 . 7 1 1 A 60 60 TRP CA C 60 62.981 61.337 1.644 1
1 672 . 7 1 1 A 60 60 TRP CB C 60 28.693 30.797 -2.104 1
1 678 . 7 1 1 A 60 60 TRP N N 60 123.289 124.255 -0.966 1
1 680 . 7 1 1 A 61 61 PHE H H 61 8.941 8.790 0.151 1
1 681 . 7 1 1 A 61 61 PHE HA H 61 3.798 4.428 -0.630 1
1 689 . 7 1 1 A 61 61 PHE C C 61 178.097 178.153 -0.056 1
1 690 . 7 1 1 A 61 61 PHE CA C 61 63.866 61.539 2.327 1
1 691 . 7 1 1 A 61 61 PHE CB C 61 39.642 38.987 0.655 1
1 697 . 7 1 1 A 61 61 PHE N N 61 118.838 118.244 0.594 1
1 698 . 7 1 1 A 62 62 SER H H 62 8.179 8.721 -0.542 1
1 699 . 7 1 1 A 62 62 SER HA H 62 4.134 4.121 0.013 1
1 702 . 7 1 1 A 62 62 SER C C 62 177.996 176.753 1.243 1
1 703 . 7 1 1 A 62 62 SER CA C 62 62.064 62.362 -0.298 1
1 704 . 7 1 1 A 62 62 SER CB C 62 62.890 62.655 0.235 1
1 705 . 7 1 1 A 62 62 SER N N 62 113.145 115.539 -2.394 1
1 706 . 7 1 1 A 63 63 GLU H H 63 8.027 8.111 -0.084 1
1 707 . 7 1 1 A 63 63 GLU HA H 63 3.910 4.079 -0.169 1
1 711 . 7 1 1 A 63 63 GLU C C 63 178.729 178.574 0.155 1
1 712 . 7 1 1 A 63 63 GLU CA C 63 58.637 59.161 -0.524 1
1 713 . 7 1 1 A 63 63 GLU CB C 63 29.188 29.651 -0.463 1
1 715 . 7 1 1 A 63 63 GLU N N 63 120.533 121.922 -1.389 1
1 716 . 7 1 1 A 64 64 ARG H H 64 8.166 7.869 0.297 1
1 717 . 7 1 1 A 64 64 ARG HA H 64 3.498 3.467 0.031 1
1 725 . 7 1 1 A 64 64 ARG C C 64 179.466 178.516 0.950 1
1 726 . 7 1 1 A 64 64 ARG CA C 64 56.502 58.870 -2.368 1
1 727 . 7 1 1 A 64 64 ARG CB C 64 28.148 28.840 -0.692 1
1 730 . 7 1 1 A 64 64 ARG N N 64 122.505 119.579 2.926 1
1 732 . 7 1 1 A 65 65 ARG H H 65 8.002 8.030 -0.028 1
1 733 . 7 1 1 A 65 65 ARG HA H 65 4.086 4.253 -0.167 1
1 740 . 7 1 1 A 65 65 ARG C C 65 177.832 179.130 -1.298 1
1 741 . 7 1 1 A 65 65 ARG CA C 65 60.054 59.779 0.275 1
1 742 . 7 1 1 A 65 65 ARG CB C 65 31.425 30.242 1.183 1
1 745 . 7 1 1 A 65 65 ARG N N 65 117.887 118.184 -0.297 1
1 746 . 7 1 1 A 66 66 LYS H H 66 7.356 7.799 -0.443 1
1 747 . 7 1 1 A 66 66 LYS HA H 66 4.141 4.009 0.132 1
1 753 . 7 1 1 A 66 66 LYS C C 66 178.353 178.952 -0.599 1
1 754 . 7 1 1 A 66 66 LYS CA C 66 58.444 59.059 -0.615 1
1 755 . 7 1 1 A 66 66 LYS CB C 66 32.288 32.354 -0.066 1
1 759 . 7 1 1 A 66 66 LYS N N 66 118.479 119.639 -1.160 1
1 760 . 7 1 1 A 67 67 LEU H H 67 7.604 7.610 -0.006 1
1 761 . 7 1 1 A 67 67 LEU HA H 67 4.143 3.878 0.265 1
1 771 . 7 1 1 A 67 67 LEU C C 67 178.510 178.752 -0.242 1
1 772 . 7 1 1 A 67 67 LEU CA C 67 56.712 57.655 -0.943 1
1 773 . 7 1 1 A 67 67 LEU CB C 67 41.857 41.545 0.312 1
1 777 . 7 1 1 A 67 67 LEU N N 67 120.424 120.400 0.024 1
1 778 . 7 1 1 A 68 68 ARG H H 68 7.914 7.744 0.170 1
1 779 . 7 1 1 A 68 68 ARG HA H 68 4.262 3.957 0.305 1
1 786 . 7 1 1 A 68 68 ARG C C 68 177.396 178.244 -0.848 1
1 787 . 7 1 1 A 68 68 ARG CA C 68 57.589 59.748 -2.159 1
1 788 . 7 1 1 A 68 68 ARG CB C 68 30.211 30.013 0.198 1
1 791 . 7 1 1 A 68 68 ARG N N 68 120.638 119.109 1.529 1
1 792 . 7 1 1 A 69 69 ASP H H 69 8.337 8.091 0.246 1
1 793 . 7 1 1 A 69 69 ASP HA H 69 4.592 4.345 0.247 1
1 796 . 7 1 1 A 69 69 ASP C C 69 176.826 176.743 0.083 1
1 797 . 7 1 1 A 69 69 ASP CA C 69 55.527 57.798 -2.271 1
1 798 . 7 1 1 A 69 69 ASP CB C 69 40.833 41.439 -0.606 1
1 799 . 7 1 1 A 69 69 ASP N N 69 119.845 120.055 -0.210 1
1 800 . 7 1 1 A 70 70 SER H H 70 8.002 8.076 -0.074 1
1 801 . 7 1 1 A 70 70 SER HA H 70 4.473 4.420 0.053 1
1 804 . 7 1 1 A 70 70 SER C C 70 174.524 174.068 0.456 1
1 805 . 7 1 1 A 70 70 SER CA C 70 59.070 59.220 -0.150 1
1 806 . 7 1 1 A 70 70 SER CB C 70 63.887 63.925 -0.038 1
1 807 . 7 1 1 A 70 70 SER N N 70 114.740 115.071 -0.331 1
1 808 . 7 1 1 A 71 71 MET H H 71 8.117 8.721 -0.604 1
1 809 . 7 1 1 A 71 71 MET HA H 71 4.559 4.945 -0.386 1
1 817 . 7 1 1 A 71 71 MET C C 71 175.392 173.777 1.615 1
1 818 . 7 1 1 A 71 71 MET CA C 71 55.711 54.620 1.091 1
1 819 . 7 1 1 A 71 71 MET CB C 71 33.246 35.818 -2.572 1
1 822 . 7 1 1 A 71 71 MET N N 71 121.694 123.441 -1.747 1
1 823 . 7 1 1 A 72 72 GLU HA H 72 4.245 4.299 -0.054 1
1 827 . 7 1 1 A 72 72 GLU C C 72 177.767 177.567 0.200 1
1 828 . 7 1 1 A 72 72 GLU CA C 72 57.871 56.550 1.321 1
1 829 . 7 1 1 A 72 72 GLU CB C 72 29.798 31.571 -1.773 1
1 831 . 7 1 1 A 73 73 GLN H H 73 8.210 8.785 -0.575 1
1 832 . 7 1 1 A 73 73 GLN HA H 73 4.177 4.077 0.100 1
1 836 . 7 1 1 A 73 73 GLN C C 73 176.422 176.648 -0.226 1
1 837 . 7 1 1 A 73 73 GLN CA C 73 56.899 58.633 -1.734 1
1 838 . 7 1 1 A 73 73 GLN CB C 73 28.852 28.090 0.762 1
1 840 . 7 1 1 A 73 73 GLN N N 73 120.076 125.135 -5.059 1
1 841 . 7 1 1 A 74 74 ALA H H 74 8.099 7.698 0.401 1
1 842 . 7 1 1 A 74 74 ALA HA H 74 4.239 4.239 0.000 1
1 846 . 7 1 1 A 74 74 ALA C C 74 178.960 177.111 1.849 1
1 847 . 7 1 1 A 74 74 ALA CA C 74 53.837 52.532 1.305 1
1 848 . 7 1 1 A 74 74 ALA CB C 74 18.794 18.878 -0.084 1
1 849 . 7 1 1 A 74 74 ALA N N 74 123.168 122.654 0.514 1
1 850 . 7 1 1 A 75 75 VAL H H 75 7.886 8.496 -0.610 1
1 851 . 7 1 1 A 75 75 VAL HA H 75 3.985 4.252 -0.267 1
1 859 . 7 1 1 A 75 75 VAL C C 75 177.376 174.736 2.640 1
1 860 . 7 1 1 A 75 75 VAL CA C 75 63.895 62.699 1.196 1
1 861 . 7 1 1 A 75 75 VAL CB C 75 32.450 32.930 -0.480 1
1 864 . 7 1 1 A 75 75 VAL N N 75 119.018 125.476 -6.458 1
1 865 . 7 1 1 A 76 76 LEU H H 76 8.074 8.808 -0.734 1
1 866 . 7 1 1 A 76 76 LEU HA H 76 4.291 5.319 -1.028 1
1 876 . 7 1 1 A 76 76 LEU C C 76 178.363 174.031 4.332 1
1 877 . 7 1 1 A 76 76 LEU CA C 76 56.247 53.386 2.861 1
1 878 . 7 1 1 A 76 76 LEU CB C 76 42.342 45.105 -2.763 1
1 882 . 7 1 1 A 76 76 LEU N N 76 124.324 129.306 -4.982 1
1 883 . 7 1 1 A 77 77 ASP H H 77 8.443 8.864 -0.421 1
1 884 . 7 1 1 A 77 77 ASP HA H 77 4.593 5.302 -0.709 1
1 887 . 7 1 1 A 77 77 ASP C C 77 177.224 174.594 2.630 1
1 888 . 7 1 1 A 77 77 ASP CA C 77 55.364 52.697 2.667 1
1 889 . 7 1 1 A 77 77 ASP CB C 77 40.970 44.629 -3.659 1
1 890 . 7 1 1 A 77 77 ASP N N 77 120.595 128.066 -7.471 1
1 891 . 7 1 1 A 78 78 SER H H 78 8.121 9.095 -0.974 1
1 892 . 7 1 1 A 78 78 SER HA H 78 4.421 5.035 -0.614 1
1 894 . 7 1 1 A 78 78 SER C C 78 175.244 173.610 1.634 1
1 895 . 7 1 1 A 78 78 SER CA C 78 58.809 57.318 1.491 1
1 896 . 7 1 1 A 78 78 SER CB C 78 63.674 65.240 -1.566 1
1 897 . 7 1 1 A 78 78 SER N N 78 115.700 123.120 -7.420 1
1 898 . 7 1 1 A 79 79 MET H H 79 8.202 8.828 -0.626 1
1 899 . 7 1 1 A 79 79 MET HA H 79 4.525 4.690 -0.165 1
1 903 . 7 1 1 A 79 79 MET C C 79 177.199 175.649 1.550 1
1 904 . 7 1 1 A 79 79 MET CA C 79 56.010 55.666 0.344 1
1 905 . 7 1 1 A 79 79 MET CB C 79 32.610 33.696 -1.086 1
1 907 . 7 1 1 A 79 79 MET N N 79 121.204 124.047 -2.843 1
1 908 . 7 1 1 A 80 80 GLY H H 80 8.268 8.512 -0.244 1
1 909 . 7 1 1 A 80 80 GLY C C 80 174.529 173.949 0.580 1
1 910 . 7 1 1 A 80 80 GLY CA C 80 45.637 44.940 0.697 1
1 911 . 7 1 1 A 80 80 GLY N N 80 109.108 107.607 1.501 1
1 912 . 7 1 1 A 81 81 SER HA H 81 4.478 4.101 0.377 1
1 915 . 7 1 1 A 81 81 SER C C 81 175.336 173.953 1.383 1
1 916 . 7 1 1 A 81 81 SER CA C 81 58.701 59.141 -0.440 1
1 917 . 7 1 1 A 81 81 SER CB C 81 63.977 61.994 1.983 1
1 918 . 7 1 1 A 82 82 GLY H H 82 8.526 8.021 0.505 1
1 919 . 7 1 1 A 82 82 GLY HA2 H 82 4.018 4.112 -0.094 1
1 920 . 7 1 1 A 82 82 GLY HA3 H 82 4.018 4.112 -0.094 1
1 921 . 7 1 1 A 82 82 GLY C C 82 174.290 172.798 1.492 1
1 922 . 7 1 1 A 82 82 GLY CA C 82 45.485 46.016 -0.531 1
1 923 . 7 1 1 A 82 82 GLY N N 82 110.928 106.552 4.376 1
1 924 . 7 1 1 A 83 83 LYS H H 83 8.159 8.280 -0.121 1
1 925 . 7 1 1 A 83 83 LYS C C 83 176.692 174.820 1.872 1
1 926 . 7 1 1 A 83 83 LYS CA C 83 56.216 54.109 2.107 1
1 927 . 7 1 1 A 83 83 LYS CB C 83 33.201 35.844 -2.643 1
1 928 . 7 1 1 A 83 83 LYS N N 83 120.759 119.334 1.425 1
1 929 . 7 1 1 A 88 88 SER HA H 88 4.509 4.135 0.374 1
1 932 . 7 1 1 A 88 88 SER C C 88 173.946 174.958 -1.012 1
1 933 . 7 1 1 A 88 88 SER CA C 88 58.432 59.849 -1.417 1
1 934 . 7 1 1 A 88 88 SER CB C 88 64.208 64.040 0.168 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.940 4.412 -0.472 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.940 4.418 -0.478 1
1 3 . 8 1 1 A 7 7 GLY C C 7 173.532 172.523 1.009 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.255 44.949 0.306 1
1 5 . 8 1 1 A 8 8 ALA H H 8 8.010 8.349 -0.339 1
1 6 . 8 1 1 A 8 8 ALA HA H 8 4.259 4.695 -0.436 1
1 10 . 8 1 1 A 8 8 ALA C C 8 176.987 176.728 0.259 1
1 11 . 8 1 1 A 8 8 ALA CA C 8 52.334 51.188 1.146 1
1 12 . 8 1 1 A 8 8 ALA CB C 8 19.389 20.169 -0.780 1
1 13 . 8 1 1 A 8 8 ALA N N 8 123.317 121.630 1.687 1
1 14 . 8 1 1 A 9 9 TYR H H 9 8.110 8.402 -0.292 1
1 15 . 8 1 1 A 9 9 TYR HA H 9 4.832 4.806 0.026 1
1 22 . 8 1 1 A 9 9 TYR C C 9 174.112 174.293 -0.181 1
1 23 . 8 1 1 A 9 9 TYR CA C 9 55.642 56.611 -0.969 1
1 24 . 8 1 1 A 9 9 TYR CB C 9 38.292 38.781 -0.489 1
1 29 . 8 1 1 A 9 9 TYR N N 9 120.065 118.701 1.364 1
1 30 . 8 1 1 A 10 10 PRO HA H 10 4.377 4.728 -0.351 1
1 36 . 8 1 1 A 10 10 PRO C C 10 176.388 175.972 0.416 1
1 37 . 8 1 1 A 10 10 PRO CA C 10 63.332 62.797 0.535 1
1 38 . 8 1 1 A 10 10 PRO CB C 10 31.985 31.800 0.185 1
1 41 . 8 1 1 A 11 11 ASP H H 11 8.249 8.397 -0.148 1
1 42 . 8 1 1 A 11 11 ASP HA H 11 4.537 5.400 -0.863 1
1 45 . 8 1 1 A 11 11 ASP C C 11 175.893 174.837 1.056 1
1 46 . 8 1 1 A 11 11 ASP CA C 11 54.410 52.637 1.773 1
1 47 . 8 1 1 A 11 11 ASP CB C 11 41.149 44.607 -3.458 1
1 48 . 8 1 1 A 11 11 ASP N N 11 119.884 117.917 1.967 1
1 49 . 8 1 1 A 12 12 PHE H H 12 8.028 8.526 -0.498 1
1 50 . 8 1 1 A 12 12 PHE HA H 12 4.616 4.757 -0.141 1
1 55 . 8 1 1 A 12 12 PHE C C 12 175.001 175.802 -0.801 1
1 56 . 8 1 1 A 12 12 PHE CA C 12 57.417 56.073 1.344 1
1 57 . 8 1 1 A 12 12 PHE CB C 12 39.577 40.421 -0.844 1
1 60 . 8 1 1 A 12 12 PHE N N 12 119.972 118.668 1.304 1
1 61 . 8 1 1 A 13 13 ALA H H 13 8.118 8.564 -0.446 1
1 62 . 8 1 1 A 13 13 ALA HA H 13 4.570 4.473 0.097 1
1 66 . 8 1 1 A 13 13 ALA C C 13 175.002 175.998 -0.996 1
1 67 . 8 1 1 A 13 13 ALA CA C 13 50.500 50.962 -0.462 1
1 68 . 8 1 1 A 13 13 ALA CB C 13 18.532 17.953 0.579 1
1 69 . 8 1 1 A 13 13 ALA N N 13 126.968 122.740 4.228 1
1 70 . 8 1 1 A 14 14 PRO HA H 14 4.349 4.619 -0.270 1
1 76 . 8 1 1 A 14 14 PRO C C 14 177.054 176.385 0.669 1
1 77 . 8 1 1 A 14 14 PRO CA C 14 63.380 62.344 1.036 1
1 78 . 8 1 1 A 14 14 PRO CB C 14 31.960 32.604 -0.644 1
1 81 . 8 1 1 A 15 15 GLN H H 15 8.411 8.588 -0.177 1
1 82 . 8 1 1 A 15 15 GLN HA H 15 4.221 4.383 -0.162 1
1 88 . 8 1 1 A 15 15 GLN C C 15 175.815 177.713 -1.898 1
1 89 . 8 1 1 A 15 15 GLN CA C 15 55.929 55.934 -0.005 1
1 90 . 8 1 1 A 15 15 GLN CB C 15 29.270 29.234 0.036 1
1 92 . 8 1 1 A 15 15 GLN N N 15 120.172 120.049 0.123 1
1 94 . 8 1 1 A 16 16 LYS H H 16 8.171 8.737 -0.566 1
1 95 . 8 1 1 A 16 16 LYS HA H 16 4.234 4.023 0.211 1
1 102 . 8 1 1 A 16 16 LYS C C 16 176.196 176.676 -0.480 1
1 103 . 8 1 1 A 16 16 LYS CA C 16 56.236 59.738 -3.502 1
1 104 . 8 1 1 A 16 16 LYS CB C 16 33.171 32.428 0.743 1
1 108 . 8 1 1 A 16 16 LYS N N 16 122.238 122.898 -0.660 1
1 109 . 8 1 1 A 17 17 PHE H H 17 8.257 8.012 0.245 1
1 110 . 8 1 1 A 17 17 PHE HA H 17 4.715 4.937 -0.222 1
1 117 . 8 1 1 A 17 17 PHE C C 17 175.737 173.858 1.879 1
1 118 . 8 1 1 A 17 17 PHE CA C 17 57.341 56.457 0.884 1
1 119 . 8 1 1 A 17 17 PHE CB C 17 39.776 42.657 -2.881 1
1 124 . 8 1 1 A 17 17 PHE N N 17 121.572 118.145 3.427 1
1 125 . 8 1 1 A 18 18 LYS H H 18 8.411 8.008 0.403 1
1 126 . 8 1 1 A 18 18 LYS HA H 18 4.285 4.713 -0.428 1
1 132 . 8 1 1 A 18 18 LYS C C 18 176.317 174.484 1.833 1
1 133 . 8 1 1 A 18 18 LYS CA C 18 56.146 54.593 1.553 1
1 134 . 8 1 1 A 18 18 LYS CB C 18 33.269 36.282 -3.013 1
1 138 . 8 1 1 A 18 18 LYS N N 18 123.072 126.778 -3.706 1
1 139 . 8 1 1 A 19 19 GLU H H 19 8.494 8.423 0.071 1
1 140 . 8 1 1 A 19 19 GLU HA H 19 4.243 4.367 -0.124 1
1 144 . 8 1 1 A 19 19 GLU C C 19 176.811 176.488 0.323 1
1 145 . 8 1 1 A 19 19 GLU CA C 19 56.916 56.186 0.730 1
1 146 . 8 1 1 A 19 19 GLU CB C 19 30.158 30.317 -0.159 1
1 148 . 8 1 1 A 19 19 GLU N N 19 123.032 124.837 -1.805 1
1 149 . 8 1 1 A 20 20 LYS H H 20 8.530 8.471 0.059 1
1 150 . 8 1 1 A 20 20 LYS HA H 20 4.560 4.514 0.046 1
1 159 . 8 1 1 A 20 20 LYS C C 20 177.491 176.373 1.118 1
1 160 . 8 1 1 A 20 20 LYS CA C 20 56.105 56.515 -0.410 1
1 161 . 8 1 1 A 20 20 LYS CB C 20 34.248 33.223 1.025 1
1 165 . 8 1 1 A 20 20 LYS N N 20 123.545 122.987 0.558 1
1 166 . 8 1 1 A 21 21 THR H H 21 8.868 8.507 0.361 1
1 167 . 8 1 1 A 21 21 THR HA H 21 4.448 4.575 -0.127 1
1 172 . 8 1 1 A 21 21 THR C C 21 175.491 175.851 -0.360 1
1 173 . 8 1 1 A 21 21 THR CA C 21 60.686 60.685 0.001 1
1 174 . 8 1 1 A 21 21 THR CB C 21 70.760 70.534 0.226 1
1 176 . 8 1 1 A 21 21 THR N N 21 113.437 118.437 -5.000 1
1 177 . 8 1 1 A 22 22 GLN H H 22 8.993 9.092 -0.099 1
1 178 . 8 1 1 A 22 22 GLN HA H 22 4.055 4.037 0.018 1
1 183 . 8 1 1 A 22 22 GLN C C 22 178.882 178.308 0.574 1
1 184 . 8 1 1 A 22 22 GLN CA C 22 58.899 58.403 0.496 1
1 185 . 8 1 1 A 22 22 GLN CB C 22 28.366 28.252 0.114 1
1 187 . 8 1 1 A 22 22 GLN N N 22 120.458 123.987 -3.529 1
1 188 . 8 1 1 A 23 23 GLY H H 23 8.580 8.437 0.143 1
1 189 . 8 1 1 A 23 23 GLY HA2 H 23 3.843 3.811 0.032 1
1 190 . 8 1 1 A 23 23 GLY HA3 H 23 3.843 3.814 0.029 1
1 191 . 8 1 1 A 23 23 GLY C C 23 176.518 175.906 0.612 1
1 192 . 8 1 1 A 23 23 GLY CA C 23 46.750 47.283 -0.533 1
1 193 . 8 1 1 A 23 23 GLY N N 23 107.047 109.149 -2.102 1
1 194 . 8 1 1 A 24 24 GLN H H 24 7.771 7.908 -0.137 1
1 195 . 8 1 1 A 24 24 GLN HA H 24 3.844 3.868 -0.024 1
1 202 . 8 1 1 A 24 24 GLN C C 24 177.564 178.396 -0.832 1
1 203 . 8 1 1 A 24 24 GLN CA C 24 59.397 58.710 0.687 1
1 204 . 8 1 1 A 24 24 GLN CB C 24 29.250 28.413 0.837 1
1 206 . 8 1 1 A 24 24 GLN N N 24 120.555 120.835 -0.280 1
1 208 . 8 1 1 A 25 25 VAL H H 25 8.029 7.920 0.109 1
1 209 . 8 1 1 A 25 25 VAL HA H 25 3.163 3.356 -0.193 1
1 217 . 8 1 1 A 25 25 VAL C C 25 176.630 177.712 -1.082 1
1 218 . 8 1 1 A 25 25 VAL CA C 25 66.856 66.933 -0.077 1
1 219 . 8 1 1 A 25 25 VAL CB C 25 31.543 31.436 0.107 1
1 222 . 8 1 1 A 25 25 VAL N N 25 117.187 120.226 -3.039 1
1 223 . 8 1 1 A 26 26 LYS H H 26 7.924 8.348 -0.424 1
1 224 . 8 1 1 A 26 26 LYS HA H 26 3.995 3.903 0.092 1
1 230 . 8 1 1 A 26 26 LYS C C 26 178.199 178.489 -0.290 1
1 231 . 8 1 1 A 26 26 LYS CA C 26 59.506 60.169 -0.663 1
1 232 . 8 1 1 A 26 26 LYS CB C 26 32.209 31.996 0.213 1
1 236 . 8 1 1 A 26 26 LYS N N 26 119.341 120.553 -1.212 1
1 237 . 8 1 1 A 27 27 ILE H H 27 7.033 7.982 -0.949 1
1 238 . 8 1 1 A 27 27 ILE HA H 27 3.706 3.628 0.078 1
1 248 . 8 1 1 A 27 27 ILE C C 27 179.280 178.762 0.518 1
1 249 . 8 1 1 A 27 27 ILE CA C 27 64.803 65.129 -0.326 1
1 250 . 8 1 1 A 27 27 ILE CB C 27 38.361 37.342 1.019 1
1 254 . 8 1 1 A 27 27 ILE N N 27 117.901 119.640 -1.739 1
1 255 . 8 1 1 A 28 28 LEU H H 28 7.400 7.686 -0.286 1
1 256 . 8 1 1 A 28 28 LEU HA H 28 3.563 3.800 -0.237 1
1 266 . 8 1 1 A 28 28 LEU C C 28 177.369 178.442 -1.073 1
1 267 . 8 1 1 A 28 28 LEU CA C 28 58.256 57.998 0.258 1
1 268 . 8 1 1 A 28 28 LEU CB C 28 37.957 40.881 -2.924 1
1 272 . 8 1 1 A 28 28 LEU N N 28 121.290 120.141 1.149 1
1 273 . 8 1 1 A 29 29 GLU H H 29 8.880 8.555 0.325 1
1 274 . 8 1 1 A 29 29 GLU HA H 29 4.327 4.168 0.159 1
1 278 . 8 1 1 A 29 29 GLU C C 29 179.216 178.895 0.321 1
1 279 . 8 1 1 A 29 29 GLU CA C 29 59.430 59.932 -0.502 1
1 280 . 8 1 1 A 29 29 GLU CB C 29 29.276 29.401 -0.125 1
1 282 . 8 1 1 A 29 29 GLU N N 29 120.487 116.984 3.503 1
1 283 . 8 1 1 A 30 30 ASP H H 30 8.313 8.240 0.073 1
1 284 . 8 1 1 A 30 30 ASP HA H 30 4.422 4.398 0.024 1
1 287 . 8 1 1 A 30 30 ASP C C 30 179.036 178.404 0.632 1
1 288 . 8 1 1 A 30 30 ASP CA C 30 57.388 57.587 -0.199 1
1 289 . 8 1 1 A 30 30 ASP CB C 30 40.547 42.051 -1.504 1
1 290 . 8 1 1 A 30 30 ASP N N 30 118.471 120.575 -2.104 1
1 291 . 8 1 1 A 31 31 SER H H 31 7.406 8.084 -0.678 1
1 292 . 8 1 1 A 31 31 SER HA H 31 4.290 4.299 -0.009 1
1 295 . 8 1 1 A 31 31 SER C C 31 177.290 176.931 0.359 1
1 296 . 8 1 1 A 31 31 SER CA C 31 61.575 61.151 0.424 1
1 297 . 8 1 1 A 31 31 SER CB C 31 63.167 62.974 0.193 1
1 298 . 8 1 1 A 31 31 SER N N 31 113.187 114.138 -0.951 1
1 299 . 8 1 1 A 32 32 PHE H H 32 9.117 8.248 0.869 1
1 300 . 8 1 1 A 32 32 PHE HA H 32 4.369 4.487 -0.118 1
1 308 . 8 1 1 A 32 32 PHE C C 32 176.545 177.167 -0.622 1
1 309 . 8 1 1 A 32 32 PHE CA C 32 61.569 61.437 0.132 1
1 310 . 8 1 1 A 32 32 PHE CB C 32 39.362 39.278 0.084 1
1 316 . 8 1 1 A 32 32 PHE N N 32 121.840 122.572 -0.732 1
1 317 . 8 1 1 A 33 33 LEU H H 33 8.235 8.973 -0.738 1
1 318 . 8 1 1 A 33 33 LEU HA H 33 3.965 3.886 0.079 1
1 328 . 8 1 1 A 33 33 LEU C C 33 179.575 179.315 0.260 1
1 329 . 8 1 1 A 33 33 LEU CA C 33 56.998 58.061 -1.063 1
1 330 . 8 1 1 A 33 33 LEU CB C 33 42.053 41.832 0.221 1
1 334 . 8 1 1 A 33 33 LEU N N 33 115.363 120.024 -4.661 1
1 335 . 8 1 1 A 34 34 LYS H H 34 7.509 7.827 -0.318 1
1 336 . 8 1 1 A 34 34 LYS HA H 34 4.174 4.244 -0.070 1
1 343 . 8 1 1 A 34 34 LYS C C 34 178.190 176.679 1.511 1
1 344 . 8 1 1 A 34 34 LYS CA C 34 58.819 58.220 0.599 1
1 345 . 8 1 1 A 34 34 LYS CB C 34 32.352 32.600 -0.248 1
1 349 . 8 1 1 A 34 34 LYS N N 34 119.688 117.297 2.391 1
1 350 . 8 1 1 A 35 35 SER H H 35 8.130 7.724 0.406 1
1 351 . 8 1 1 A 35 35 SER HA H 35 4.379 4.688 -0.309 1
1 354 . 8 1 1 A 35 35 SER C C 35 174.000 174.407 -0.407 1
1 355 . 8 1 1 A 35 35 SER CA C 35 58.202 57.358 0.844 1
1 356 . 8 1 1 A 35 35 SER CB C 35 64.375 64.998 -0.623 1
1 357 . 8 1 1 A 35 35 SER N N 35 112.275 112.733 -0.458 1
1 358 . 8 1 1 A 36 36 SER H H 36 8.404 8.692 -0.288 1
1 359 . 8 1 1 A 36 36 SER HA H 36 3.952 3.038 0.914 1
1 362 . 8 1 1 A 36 36 SER C C 36 172.467 174.800 -2.333 1
1 363 . 8 1 1 A 36 36 SER CA C 36 59.127 62.343 -3.216 1
1 364 . 8 1 1 A 36 36 SER CB C 36 63.788 62.588 1.200 1
1 365 . 8 1 1 A 36 36 SER N N 36 121.307 121.262 0.045 1
1 366 . 8 1 1 A 37 37 PHE H H 37 7.735 8.162 -0.427 1
1 367 . 8 1 1 A 37 37 PHE HA H 37 4.859 5.102 -0.243 1
1 375 . 8 1 1 A 37 37 PHE C C 37 172.549 173.882 -1.333 1
1 376 . 8 1 1 A 37 37 PHE CA C 37 55.604 55.093 0.511 1
1 377 . 8 1 1 A 37 37 PHE CB C 37 39.842 39.261 0.581 1
1 383 . 8 1 1 A 37 37 PHE N N 37 118.373 117.471 0.902 1
1 384 . 8 1 1 A 38 38 PRO HA H 38 4.391 4.687 -0.296 1
1 391 . 8 1 1 A 38 38 PRO C C 38 177.660 175.372 2.288 1
1 392 . 8 1 1 A 38 38 PRO CA C 38 62.193 62.411 -0.218 1
1 393 . 8 1 1 A 38 38 PRO CB C 38 31.490 33.010 -1.520 1
1 396 . 8 1 1 A 39 39 THR H H 39 7.809 8.420 -0.611 1
1 397 . 8 1 1 A 39 39 THR HA H 39 4.322 5.060 -0.738 1
1 402 . 8 1 1 A 39 39 THR C C 39 174.966 174.603 0.363 1
1 403 . 8 1 1 A 39 39 THR CA C 39 60.648 59.616 1.032 1
1 404 . 8 1 1 A 39 39 THR CB C 39 71.192 71.352 -0.160 1
1 406 . 8 1 1 A 39 39 THR N N 39 111.373 115.251 -3.878 1
1 407 . 8 1 1 A 40 40 GLN H H 40 8.880 9.122 -0.242 1
1 408 . 8 1 1 A 40 40 GLN HA H 40 3.907 3.961 -0.054 1
1 414 . 8 1 1 A 40 40 GLN C C 40 177.855 177.825 0.030 1
1 415 . 8 1 1 A 40 40 GLN CA C 40 59.243 59.617 -0.374 1
1 416 . 8 1 1 A 40 40 GLN CB C 40 28.107 28.563 -0.456 1
1 418 . 8 1 1 A 40 40 GLN N N 40 120.143 126.060 -5.917 1
1 420 . 8 1 1 A 41 41 ALA H H 41 8.286 7.949 0.337 1
1 421 . 8 1 1 A 41 41 ALA HA H 41 4.212 4.110 0.102 1
1 425 . 8 1 1 A 41 41 ALA C C 41 180.741 179.156 1.585 1
1 426 . 8 1 1 A 41 41 ALA CA C 41 55.009 55.133 -0.124 1
1 427 . 8 1 1 A 41 41 ALA CB C 41 18.111 18.363 -0.252 1
1 428 . 8 1 1 A 41 41 ALA N N 41 119.773 122.233 -2.460 1
1 429 . 8 1 1 A 42 42 GLU H H 42 7.772 8.321 -0.549 1
1 430 . 8 1 1 A 42 42 GLU HA H 42 4.673 3.987 0.686 1
1 435 . 8 1 1 A 42 42 GLU C C 42 178.478 178.644 -0.166 1
1 436 . 8 1 1 A 42 42 GLU CA C 42 57.730 59.703 -1.973 1
1 437 . 8 1 1 A 42 42 GLU CB C 42 28.610 29.538 -0.928 1
1 439 . 8 1 1 A 42 42 GLU N N 42 122.141 118.464 3.677 1
1 440 . 8 1 1 A 43 43 LEU H H 43 8.472 8.251 0.221 1
1 441 . 8 1 1 A 43 43 LEU HA H 43 3.924 3.844 0.080 1
1 451 . 8 1 1 A 43 43 LEU C C 43 179.842 178.619 1.223 1
1 452 . 8 1 1 A 43 43 LEU CA C 43 58.828 57.648 1.180 1
1 453 . 8 1 1 A 43 43 LEU CB C 43 41.540 41.508 0.032 1
1 457 . 8 1 1 A 43 43 LEU N N 43 121.542 120.636 0.906 1
1 458 . 8 1 1 A 44 44 ASP H H 44 8.384 8.238 0.146 1
1 459 . 8 1 1 A 44 44 ASP HA H 44 4.447 4.238 0.209 1
1 462 . 8 1 1 A 44 44 ASP C C 44 178.428 178.980 -0.552 1
1 463 . 8 1 1 A 44 44 ASP CA C 44 57.812 57.516 0.296 1
1 464 . 8 1 1 A 44 44 ASP CB C 44 40.226 41.013 -0.787 1
1 465 . 8 1 1 A 44 44 ASP N N 44 119.756 118.431 1.325 1
1 466 . 8 1 1 A 45 45 ARG H H 45 7.979 8.130 -0.151 1
1 467 . 8 1 1 A 45 45 ARG HA H 45 4.058 4.144 -0.086 1
1 475 . 8 1 1 A 45 45 ARG C C 45 179.249 178.864 0.385 1
1 476 . 8 1 1 A 45 45 ARG CA C 45 59.629 58.333 1.296 1
1 477 . 8 1 1 A 45 45 ARG CB C 45 30.553 29.586 0.967 1
1 480 . 8 1 1 A 45 45 ARG N N 45 123.029 119.962 3.067 1
1 482 . 8 1 1 A 46 46 LEU H H 46 8.943 8.431 0.512 1
1 483 . 8 1 1 A 46 46 LEU HA H 46 3.922 4.087 -0.165 1
1 493 . 8 1 1 A 46 46 LEU C C 46 180.973 178.863 2.110 1
1 494 . 8 1 1 A 46 46 LEU CA C 46 57.885 57.901 -0.016 1
1 495 . 8 1 1 A 46 46 LEU CB C 46 42.943 40.996 1.947 1
1 499 . 8 1 1 A 46 46 LEU N N 46 118.282 119.857 -1.575 1
1 500 . 8 1 1 A 47 47 ARG H H 47 8.421 8.654 -0.233 1
1 501 . 8 1 1 A 47 47 ARG HA H 47 4.050 3.969 0.081 1
1 508 . 8 1 1 A 47 47 ARG C C 47 178.760 178.595 0.165 1
1 509 . 8 1 1 A 47 47 ARG CA C 47 60.366 59.364 1.002 1
1 510 . 8 1 1 A 47 47 ARG CB C 47 29.957 29.972 -0.015 1
1 513 . 8 1 1 A 47 47 ARG N N 47 125.416 117.558 7.858 1
1 514 . 8 1 1 A 48 48 VAL H H 48 7.626 7.691 -0.065 1
1 515 . 8 1 1 A 48 48 VAL HA H 48 3.700 3.712 -0.012 1
1 523 . 8 1 1 A 48 48 VAL C C 48 178.628 177.654 0.974 1
1 524 . 8 1 1 A 48 48 VAL CA C 48 66.325 64.901 1.424 1
1 525 . 8 1 1 A 48 48 VAL CB C 48 31.902 31.036 0.866 1
1 528 . 8 1 1 A 48 48 VAL N N 48 119.769 119.619 0.150 1
1 529 . 8 1 1 A 49 49 GLU H H 49 8.419 8.261 0.158 1
1 530 . 8 1 1 A 49 49 GLU HA H 49 4.202 3.983 0.219 1
1 534 . 8 1 1 A 49 49 GLU C C 49 178.866 179.061 -0.195 1
1 535 . 8 1 1 A 49 49 GLU CA C 49 59.062 59.289 -0.227 1
1 536 . 8 1 1 A 49 49 GLU CB C 49 30.950 29.444 1.506 1
1 538 . 8 1 1 A 49 49 GLU N N 49 116.074 121.944 -5.870 1
1 539 . 8 1 1 A 50 50 THR H H 50 8.436 8.246 0.190 1
1 540 . 8 1 1 A 50 50 THR HA H 50 4.335 4.223 0.112 1
1 545 . 8 1 1 A 50 50 THR C C 50 175.412 174.252 1.160 1
1 546 . 8 1 1 A 50 50 THR CA C 50 63.447 62.438 1.009 1
1 547 . 8 1 1 A 50 50 THR CB C 50 71.702 69.494 2.208 1
1 549 . 8 1 1 A 50 50 THR N N 50 105.198 110.436 -5.238 1
1 550 . 8 1 1 A 51 51 LYS H H 51 7.745 7.922 -0.177 1
1 551 . 8 1 1 A 51 51 LYS HA H 51 4.032 3.734 0.298 1
1 559 . 8 1 1 A 51 51 LYS C C 51 175.949 174.758 1.191 1
1 560 . 8 1 1 A 51 51 LYS CA C 51 58.428 57.297 1.131 1
1 561 . 8 1 1 A 51 51 LYS CB C 51 29.225 29.264 -0.039 1
1 565 . 8 1 1 A 51 51 LYS N N 51 114.904 116.800 -1.896 1
1 566 . 8 1 1 A 52 52 LEU H H 52 7.679 7.831 -0.152 1
1 567 . 8 1 1 A 52 52 LEU HA H 52 4.519 5.018 -0.499 1
1 577 . 8 1 1 A 52 52 LEU C C 52 176.301 176.205 0.096 1
1 578 . 8 1 1 A 52 52 LEU CA C 52 53.820 52.984 0.836 1
1 579 . 8 1 1 A 52 52 LEU CB C 52 43.987 45.498 -1.511 1
1 583 . 8 1 1 A 52 52 LEU N N 52 120.156 118.688 1.468 1
1 584 . 8 1 1 A 53 53 SER H H 53 8.599 7.913 0.686 1
1 585 . 8 1 1 A 53 53 SER HA H 53 4.454 4.860 -0.406 1
1 588 . 8 1 1 A 53 53 SER C C 53 175.265 176.042 -0.777 1
1 589 . 8 1 1 A 53 53 SER CA C 53 57.586 56.181 1.405 1
1 590 . 8 1 1 A 53 53 SER CB C 53 65.402 66.536 -1.134 1
1 591 . 8 1 1 A 53 53 SER N N 53 114.483 113.722 0.761 1
1 592 . 8 1 1 A 54 54 ARG H H 54 9.030 8.826 0.204 1
1 593 . 8 1 1 A 54 54 ARG HA H 54 3.925 3.902 0.023 1
1 599 . 8 1 1 A 54 54 ARG C C 54 178.621 178.565 0.056 1
1 600 . 8 1 1 A 54 54 ARG CA C 54 59.660 60.021 -0.361 1
1 601 . 8 1 1 A 54 54 ARG CB C 54 29.594 30.292 -0.698 1
1 604 . 8 1 1 A 54 54 ARG N N 54 121.039 120.849 0.190 1
1 605 . 8 1 1 A 55 55 ARG H H 55 8.472 7.991 0.481 1
1 606 . 8 1 1 A 55 55 ARG HA H 55 4.253 4.094 0.159 1
1 611 . 8 1 1 A 55 55 ARG C C 55 179.367 179.309 0.058 1
1 612 . 8 1 1 A 55 55 ARG CA C 55 59.387 59.343 0.044 1
1 613 . 8 1 1 A 55 55 ARG CB C 55 30.068 30.118 -0.050 1
1 616 . 8 1 1 A 55 55 ARG N N 55 117.655 119.417 -1.762 1
1 617 . 8 1 1 A 56 56 GLU H H 56 7.849 7.993 -0.144 1
1 618 . 8 1 1 A 56 56 GLU HA H 56 3.909 4.064 -0.155 1
1 622 . 8 1 1 A 56 56 GLU C C 56 179.885 179.602 0.283 1
1 623 . 8 1 1 A 56 56 GLU CA C 56 59.421 59.369 0.052 1
1 624 . 8 1 1 A 56 56 GLU CB C 56 30.907 29.315 1.592 1
1 626 . 8 1 1 A 56 56 GLU N N 56 119.916 119.504 0.412 1
1 627 . 8 1 1 A 57 57 ILE H H 57 8.254 7.708 0.546 1
1 628 . 8 1 1 A 57 57 ILE HA H 57 3.732 3.746 -0.014 1
1 638 . 8 1 1 A 57 57 ILE C C 57 177.586 177.731 -0.145 1
1 639 . 8 1 1 A 57 57 ILE CA C 57 66.553 65.441 1.112 1
1 640 . 8 1 1 A 57 57 ILE CB C 57 38.596 37.571 1.025 1
1 644 . 8 1 1 A 57 57 ILE N N 57 122.354 120.744 1.610 1
1 645 . 8 1 1 A 58 58 ASP H H 58 8.899 8.728 0.171 1
1 646 . 8 1 1 A 58 58 ASP HA H 58 4.621 4.305 0.316 1
1 649 . 8 1 1 A 58 58 ASP C C 58 180.161 178.941 1.220 1
1 650 . 8 1 1 A 58 58 ASP CA C 58 58.114 57.751 0.363 1
1 651 . 8 1 1 A 58 58 ASP CB C 58 40.817 40.355 0.462 1
1 652 . 8 1 1 A 58 58 ASP N N 58 121.029 121.423 -0.394 1
1 653 . 8 1 1 A 59 59 SER H H 59 8.321 8.015 0.306 1
1 654 . 8 1 1 A 59 59 SER HA H 59 4.371 4.251 0.120 1
1 656 . 8 1 1 A 59 59 SER C C 59 176.017 176.942 -0.925 1
1 657 . 8 1 1 A 59 59 SER CA C 59 61.870 61.219 0.651 1
1 658 . 8 1 1 A 59 59 SER CB C 59 63.076 62.644 0.432 1
1 659 . 8 1 1 A 59 59 SER N N 59 114.708 114.633 0.075 1
1 660 . 8 1 1 A 60 60 TRP H H 60 8.209 7.864 0.345 1
1 661 . 8 1 1 A 60 60 TRP HA H 60 4.019 4.430 -0.411 1
1 670 . 8 1 1 A 60 60 TRP C C 60 179.214 178.435 0.779 1
1 671 . 8 1 1 A 60 60 TRP CA C 60 62.981 61.330 1.651 1
1 672 . 8 1 1 A 60 60 TRP CB C 60 28.693 30.331 -1.638 1
1 678 . 8 1 1 A 60 60 TRP N N 60 123.289 124.150 -0.861 1
1 680 . 8 1 1 A 61 61 PHE H H 61 8.941 8.544 0.397 1
1 681 . 8 1 1 A 61 61 PHE HA H 61 3.798 4.000 -0.202 1
1 689 . 8 1 1 A 61 61 PHE C C 61 178.097 178.162 -0.065 1
1 690 . 8 1 1 A 61 61 PHE CA C 61 63.866 61.346 2.520 1
1 691 . 8 1 1 A 61 61 PHE CB C 61 39.642 38.105 1.537 1
1 697 . 8 1 1 A 61 61 PHE N N 61 118.838 117.838 1.000 1
1 698 . 8 1 1 A 62 62 SER H H 62 8.179 8.547 -0.368 1
1 699 . 8 1 1 A 62 62 SER HA H 62 4.134 4.080 0.054 1
1 702 . 8 1 1 A 62 62 SER C C 62 177.996 176.103 1.893 1
1 703 . 8 1 1 A 62 62 SER CA C 62 62.064 62.355 -0.291 1
1 704 . 8 1 1 A 62 62 SER CB C 62 62.890 63.129 -0.239 1
1 705 . 8 1 1 A 62 62 SER N N 62 113.145 115.424 -2.279 1
1 706 . 8 1 1 A 63 63 GLU H H 63 8.027 7.675 0.352 1
1 707 . 8 1 1 A 63 63 GLU HA H 63 3.910 4.086 -0.176 1
1 711 . 8 1 1 A 63 63 GLU C C 63 178.729 178.817 -0.088 1
1 712 . 8 1 1 A 63 63 GLU CA C 63 58.637 58.656 -0.019 1
1 713 . 8 1 1 A 63 63 GLU CB C 63 29.188 29.757 -0.569 1
1 715 . 8 1 1 A 63 63 GLU N N 63 120.533 121.310 -0.777 1
1 716 . 8 1 1 A 64 64 ARG H H 64 8.166 7.783 0.383 1
1 717 . 8 1 1 A 64 64 ARG HA H 64 3.498 3.532 -0.034 1
1 725 . 8 1 1 A 64 64 ARG C C 64 179.466 178.715 0.751 1
1 726 . 8 1 1 A 64 64 ARG CA C 64 56.502 58.882 -2.380 1
1 727 . 8 1 1 A 64 64 ARG CB C 64 28.148 29.082 -0.934 1
1 730 . 8 1 1 A 64 64 ARG N N 64 122.505 120.376 2.129 1
1 732 . 8 1 1 A 65 65 ARG H H 65 8.002 8.089 -0.087 1
1 733 . 8 1 1 A 65 65 ARG HA H 65 4.086 4.328 -0.242 1
1 740 . 8 1 1 A 65 65 ARG C C 65 177.832 179.232 -1.400 1
1 741 . 8 1 1 A 65 65 ARG CA C 65 60.054 59.537 0.517 1
1 742 . 8 1 1 A 65 65 ARG CB C 65 31.425 30.184 1.241 1
1 745 . 8 1 1 A 65 65 ARG N N 65 117.887 118.399 -0.512 1
1 746 . 8 1 1 A 66 66 LYS H H 66 7.356 7.998 -0.642 1
1 747 . 8 1 1 A 66 66 LYS HA H 66 4.141 4.021 0.120 1
1 753 . 8 1 1 A 66 66 LYS C C 66 178.353 179.052 -0.699 1
1 754 . 8 1 1 A 66 66 LYS CA C 66 58.444 59.023 -0.579 1
1 755 . 8 1 1 A 66 66 LYS CB C 66 32.288 32.507 -0.219 1
1 759 . 8 1 1 A 66 66 LYS N N 66 118.479 119.261 -0.782 1
1 760 . 8 1 1 A 67 67 LEU H H 67 7.604 7.803 -0.199 1
1 761 . 8 1 1 A 67 67 LEU HA H 67 4.143 3.935 0.208 1
1 771 . 8 1 1 A 67 67 LEU C C 67 178.510 179.377 -0.867 1
1 772 . 8 1 1 A 67 67 LEU CA C 67 56.712 58.030 -1.318 1
1 773 . 8 1 1 A 67 67 LEU CB C 67 41.857 41.452 0.405 1
1 777 . 8 1 1 A 67 67 LEU N N 67 120.424 119.688 0.736 1
1 778 . 8 1 1 A 68 68 ARG H H 68 7.914 8.153 -0.239 1
1 779 . 8 1 1 A 68 68 ARG HA H 68 4.262 3.974 0.288 1
1 786 . 8 1 1 A 68 68 ARG C C 68 177.396 178.194 -0.798 1
1 787 . 8 1 1 A 68 68 ARG CA C 68 57.589 59.194 -1.605 1
1 788 . 8 1 1 A 68 68 ARG CB C 68 30.211 29.972 0.239 1
1 791 . 8 1 1 A 68 68 ARG N N 68 120.638 120.431 0.207 1
1 792 . 8 1 1 A 69 69 ASP H H 69 8.337 8.451 -0.114 1
1 793 . 8 1 1 A 69 69 ASP HA H 69 4.592 4.361 0.231 1
1 796 . 8 1 1 A 69 69 ASP C C 69 176.826 176.679 0.147 1
1 797 . 8 1 1 A 69 69 ASP CA C 69 55.527 57.682 -2.155 1
1 798 . 8 1 1 A 69 69 ASP CB C 69 40.833 41.930 -1.097 1
1 799 . 8 1 1 A 69 69 ASP N N 69 119.845 120.083 -0.238 1
1 800 . 8 1 1 A 70 70 SER H H 70 8.002 7.803 0.199 1
1 801 . 8 1 1 A 70 70 SER HA H 70 4.473 4.480 -0.007 1
1 804 . 8 1 1 A 70 70 SER C C 70 174.524 175.684 -1.160 1
1 805 . 8 1 1 A 70 70 SER CA C 70 59.070 59.101 -0.031 1
1 806 . 8 1 1 A 70 70 SER CB C 70 63.887 64.488 -0.601 1
1 807 . 8 1 1 A 70 70 SER N N 70 114.740 115.080 -0.340 1
1 808 . 8 1 1 A 71 71 MET H H 71 8.117 8.534 -0.417 1
1 809 . 8 1 1 A 71 71 MET HA H 71 4.559 4.492 0.067 1
1 817 . 8 1 1 A 71 71 MET C C 71 175.392 176.355 -0.963 1
1 818 . 8 1 1 A 71 71 MET CA C 71 55.711 56.029 -0.318 1
1 819 . 8 1 1 A 71 71 MET CB C 71 33.246 32.294 0.952 1
1 822 . 8 1 1 A 71 71 MET N N 71 121.694 120.272 1.422 1
1 823 . 8 1 1 A 72 72 GLU HA H 72 4.245 4.177 0.068 1
1 827 . 8 1 1 A 72 72 GLU C C 72 177.767 177.704 0.063 1
1 828 . 8 1 1 A 72 72 GLU CA C 72 57.871 56.670 1.201 1
1 829 . 8 1 1 A 72 72 GLU CB C 72 29.798 31.205 -1.407 1
1 831 . 8 1 1 A 73 73 GLN H H 73 8.210 8.852 -0.642 1
1 832 . 8 1 1 A 73 73 GLN HA H 73 4.177 4.082 0.095 1
1 836 . 8 1 1 A 73 73 GLN C C 73 176.422 176.516 -0.094 1
1 837 . 8 1 1 A 73 73 GLN CA C 73 56.899 58.464 -1.565 1
1 838 . 8 1 1 A 73 73 GLN CB C 73 28.852 28.198 0.654 1
1 840 . 8 1 1 A 73 73 GLN N N 73 120.076 122.769 -2.693 1
1 841 . 8 1 1 A 74 74 ALA H H 74 8.099 7.604 0.495 1
1 842 . 8 1 1 A 74 74 ALA HA H 74 4.239 4.299 -0.060 1
1 846 . 8 1 1 A 74 74 ALA C C 74 178.960 176.607 2.353 1
1 847 . 8 1 1 A 74 74 ALA CA C 74 53.837 52.569 1.268 1
1 848 . 8 1 1 A 74 74 ALA CB C 74 18.794 19.536 -0.742 1
1 849 . 8 1 1 A 74 74 ALA N N 74 123.168 122.990 0.178 1
1 850 . 8 1 1 A 75 75 VAL H H 75 7.886 8.770 -0.884 1
1 851 . 8 1 1 A 75 75 VAL HA H 75 3.985 4.924 -0.939 1
1 859 . 8 1 1 A 75 75 VAL C C 75 177.376 173.668 3.708 1
1 860 . 8 1 1 A 75 75 VAL CA C 75 63.895 59.515 4.380 1
1 861 . 8 1 1 A 75 75 VAL CB C 75 32.450 34.352 -1.902 1
1 864 . 8 1 1 A 75 75 VAL N N 75 119.018 122.476 -3.458 1
1 865 . 8 1 1 A 76 76 LEU H H 76 8.074 8.776 -0.702 1
1 866 . 8 1 1 A 76 76 LEU HA H 76 4.291 4.891 -0.600 1
1 876 . 8 1 1 A 76 76 LEU C C 76 178.363 175.049 3.314 1
1 877 . 8 1 1 A 76 76 LEU CA C 76 56.247 53.842 2.405 1
1 878 . 8 1 1 A 76 76 LEU CB C 76 42.342 43.616 -1.274 1
1 882 . 8 1 1 A 76 76 LEU N N 76 124.324 129.613 -5.289 1
1 883 . 8 1 1 A 77 77 ASP H H 77 8.443 8.710 -0.267 1
1 884 . 8 1 1 A 77 77 ASP HA H 77 4.593 4.842 -0.249 1
1 887 . 8 1 1 A 77 77 ASP C C 77 177.224 175.528 1.696 1
1 888 . 8 1 1 A 77 77 ASP CA C 77 55.364 54.402 0.962 1
1 889 . 8 1 1 A 77 77 ASP CB C 77 40.970 40.925 0.045 1
1 890 . 8 1 1 A 77 77 ASP N N 77 120.595 127.749 -7.154 1
1 891 . 8 1 1 A 78 78 SER H H 78 8.121 8.690 -0.569 1
1 892 . 8 1 1 A 78 78 SER HA H 78 4.421 4.611 -0.190 1
1 894 . 8 1 1 A 78 78 SER C C 78 175.244 173.715 1.529 1
1 895 . 8 1 1 A 78 78 SER CA C 78 58.809 58.899 -0.090 1
1 896 . 8 1 1 A 78 78 SER CB C 78 63.674 63.705 -0.031 1
1 897 . 8 1 1 A 78 78 SER N N 78 115.700 121.835 -6.135 1
1 898 . 8 1 1 A 79 79 MET H H 79 8.202 8.757 -0.555 1
1 899 . 8 1 1 A 79 79 MET HA H 79 4.525 4.804 -0.279 1
1 903 . 8 1 1 A 79 79 MET C C 79 177.199 175.710 1.489 1
1 904 . 8 1 1 A 79 79 MET CA C 79 56.010 54.011 1.999 1
1 905 . 8 1 1 A 79 79 MET CB C 79 32.610 33.906 -1.296 1
1 907 . 8 1 1 A 79 79 MET N N 79 121.204 125.114 -3.910 1
1 908 . 8 1 1 A 80 80 GLY H H 80 8.268 8.396 -0.128 1
1 909 . 8 1 1 A 80 80 GLY C C 80 174.529 173.021 1.508 1
1 910 . 8 1 1 A 80 80 GLY CA C 80 45.637 45.200 0.437 1
1 911 . 8 1 1 A 80 80 GLY N N 80 109.108 114.689 -5.581 1
1 912 . 8 1 1 A 81 81 SER HA H 81 4.478 4.939 -0.461 1
1 915 . 8 1 1 A 81 81 SER C C 81 175.336 172.978 2.358 1
1 916 . 8 1 1 A 81 81 SER CA C 81 58.701 57.182 1.519 1
1 917 . 8 1 1 A 81 81 SER CB C 81 63.977 65.561 -1.584 1
1 918 . 8 1 1 A 82 82 GLY H H 82 8.526 8.878 -0.352 1
1 919 . 8 1 1 A 82 82 GLY HA2 H 82 4.018 4.222 -0.204 1
1 920 . 8 1 1 A 82 82 GLY HA3 H 82 4.018 4.222 -0.204 1
1 921 . 8 1 1 A 82 82 GLY C C 82 174.290 172.365 1.925 1
1 922 . 8 1 1 A 82 82 GLY CA C 82 45.485 44.535 0.950 1
1 923 . 8 1 1 A 82 82 GLY N N 82 110.928 112.527 -1.599 1
1 924 . 8 1 1 A 83 83 LYS H H 83 8.159 8.496 -0.337 1
1 925 . 8 1 1 A 83 83 LYS C C 83 176.692 175.997 0.695 1
1 926 . 8 1 1 A 83 83 LYS CA C 83 56.216 56.791 -0.575 1
1 927 . 8 1 1 A 83 83 LYS CB C 83 33.201 33.003 0.198 1
1 928 . 8 1 1 A 83 83 LYS N N 83 120.759 123.802 -3.043 1
1 929 . 8 1 1 A 88 88 SER HA H 88 4.509 4.955 -0.446 1
1 932 . 8 1 1 A 88 88 SER C C 88 173.946 174.520 -0.574 1
1 933 . 8 1 1 A 88 88 SER CA C 88 58.432 58.038 0.394 1
1 934 . 8 1 1 A 88 88 SER CB C 88 64.208 63.844 0.364 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.940 4.232 -0.292 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.940 4.285 -0.345 1
1 3 . 9 1 1 A 7 7 GLY C C 7 173.532 172.139 1.393 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.255 45.322 -0.067 1
1 5 . 9 1 1 A 8 8 ALA H H 8 8.010 8.304 -0.294 1
1 6 . 9 1 1 A 8 8 ALA HA H 8 4.259 5.275 -1.016 1
1 10 . 9 1 1 A 8 8 ALA C C 8 176.987 175.340 1.647 1
1 11 . 9 1 1 A 8 8 ALA CA C 8 52.334 50.276 2.058 1
1 12 . 9 1 1 A 8 8 ALA CB C 8 19.389 22.522 -3.133 1
1 13 . 9 1 1 A 8 8 ALA N N 8 123.317 122.173 1.144 1
1 14 . 9 1 1 A 9 9 TYR H H 9 8.110 8.734 -0.624 1
1 15 . 9 1 1 A 9 9 TYR HA H 9 4.832 4.948 -0.116 1
1 22 . 9 1 1 A 9 9 TYR C C 9 174.112 173.505 0.607 1
1 23 . 9 1 1 A 9 9 TYR CA C 9 55.642 55.685 -0.043 1
1 24 . 9 1 1 A 9 9 TYR CB C 9 38.292 41.507 -3.215 1
1 29 . 9 1 1 A 9 9 TYR N N 9 120.065 115.361 4.704 1
1 30 . 9 1 1 A 10 10 PRO HA H 10 4.377 4.808 -0.431 1
1 36 . 9 1 1 A 10 10 PRO C C 10 176.388 175.896 0.492 1
1 37 . 9 1 1 A 10 10 PRO CA C 10 63.332 62.749 0.583 1
1 38 . 9 1 1 A 10 10 PRO CB C 10 31.985 31.734 0.251 1
1 41 . 9 1 1 A 11 11 ASP H H 11 8.249 8.703 -0.454 1
1 42 . 9 1 1 A 11 11 ASP HA H 11 4.537 5.040 -0.503 1
1 45 . 9 1 1 A 11 11 ASP C C 11 175.893 174.825 1.068 1
1 46 . 9 1 1 A 11 11 ASP CA C 11 54.410 53.398 1.012 1
1 47 . 9 1 1 A 11 11 ASP CB C 11 41.149 42.276 -1.127 1
1 48 . 9 1 1 A 11 11 ASP N N 11 119.884 123.015 -3.131 1
1 49 . 9 1 1 A 12 12 PHE H H 12 8.028 8.809 -0.781 1
1 50 . 9 1 1 A 12 12 PHE HA H 12 4.616 5.247 -0.631 1
1 55 . 9 1 1 A 12 12 PHE C C 12 175.001 173.905 1.096 1
1 56 . 9 1 1 A 12 12 PHE CA C 12 57.417 56.193 1.224 1
1 57 . 9 1 1 A 12 12 PHE CB C 12 39.577 42.736 -3.159 1
1 60 . 9 1 1 A 12 12 PHE N N 12 119.972 126.708 -6.736 1
1 61 . 9 1 1 A 13 13 ALA H H 13 8.118 7.844 0.274 1
1 62 . 9 1 1 A 13 13 ALA HA H 13 4.570 4.249 0.321 1
1 66 . 9 1 1 A 13 13 ALA C C 13 175.002 176.470 -1.468 1
1 67 . 9 1 1 A 13 13 ALA CA C 13 50.500 49.469 1.031 1
1 68 . 9 1 1 A 13 13 ALA CB C 13 18.532 19.240 -0.708 1
1 69 . 9 1 1 A 13 13 ALA N N 13 126.968 127.995 -1.027 1
1 70 . 9 1 1 A 14 14 PRO HA H 14 4.349 4.455 -0.106 1
1 76 . 9 1 1 A 14 14 PRO C C 14 177.054 176.228 0.826 1
1 77 . 9 1 1 A 14 14 PRO CA C 14 63.380 63.978 -0.598 1
1 78 . 9 1 1 A 14 14 PRO CB C 14 31.960 31.726 0.234 1
1 81 . 9 1 1 A 15 15 GLN H H 15 8.411 7.733 0.678 1
1 82 . 9 1 1 A 15 15 GLN HA H 15 4.221 4.699 -0.478 1
1 88 . 9 1 1 A 15 15 GLN C C 15 175.815 176.060 -0.245 1
1 89 . 9 1 1 A 15 15 GLN CA C 15 55.929 54.473 1.456 1
1 90 . 9 1 1 A 15 15 GLN CB C 15 29.270 31.317 -2.047 1
1 92 . 9 1 1 A 15 15 GLN N N 15 120.172 119.319 0.853 1
1 94 . 9 1 1 A 16 16 LYS H H 16 8.171 8.555 -0.384 1
1 95 . 9 1 1 A 16 16 LYS HA H 16 4.234 4.009 0.225 1
1 102 . 9 1 1 A 16 16 LYS C C 16 176.196 177.416 -1.220 1
1 103 . 9 1 1 A 16 16 LYS CA C 16 56.236 59.035 -2.799 1
1 104 . 9 1 1 A 16 16 LYS CB C 16 33.171 32.509 0.662 1
1 108 . 9 1 1 A 16 16 LYS N N 16 122.238 123.752 -1.514 1
1 109 . 9 1 1 A 17 17 PHE H H 17 8.257 7.632 0.625 1
1 110 . 9 1 1 A 17 17 PHE HA H 17 4.715 4.530 0.185 1
1 117 . 9 1 1 A 17 17 PHE C C 17 175.737 175.234 0.503 1
1 118 . 9 1 1 A 17 17 PHE CA C 17 57.341 58.189 -0.848 1
1 119 . 9 1 1 A 17 17 PHE CB C 17 39.776 39.400 0.376 1
1 124 . 9 1 1 A 17 17 PHE N N 17 121.572 118.247 3.325 1
1 125 . 9 1 1 A 18 18 LYS H H 18 8.411 9.113 -0.702 1
1 126 . 9 1 1 A 18 18 LYS HA H 18 4.285 5.079 -0.794 1
1 132 . 9 1 1 A 18 18 LYS C C 18 176.317 175.275 1.042 1
1 133 . 9 1 1 A 18 18 LYS CA C 18 56.146 54.507 1.639 1
1 134 . 9 1 1 A 18 18 LYS CB C 18 33.269 34.913 -1.644 1
1 138 . 9 1 1 A 18 18 LYS N N 18 123.072 118.905 4.167 1
1 139 . 9 1 1 A 19 19 GLU H H 19 8.494 8.586 -0.092 1
1 140 . 9 1 1 A 19 19 GLU HA H 19 4.243 4.415 -0.172 1
1 144 . 9 1 1 A 19 19 GLU C C 19 176.811 176.730 0.081 1
1 145 . 9 1 1 A 19 19 GLU CA C 19 56.916 55.550 1.366 1
1 146 . 9 1 1 A 19 19 GLU CB C 19 30.158 30.821 -0.663 1
1 148 . 9 1 1 A 19 19 GLU N N 19 123.032 121.653 1.379 1
1 149 . 9 1 1 A 20 20 LYS H H 20 8.530 8.539 -0.009 1
1 150 . 9 1 1 A 20 20 LYS HA H 20 4.560 4.422 0.138 1
1 159 . 9 1 1 A 20 20 LYS C C 20 177.491 177.300 0.191 1
1 160 . 9 1 1 A 20 20 LYS CA C 20 56.105 56.715 -0.610 1
1 161 . 9 1 1 A 20 20 LYS CB C 20 34.248 32.892 1.356 1
1 165 . 9 1 1 A 20 20 LYS N N 20 123.545 123.816 -0.271 1
1 166 . 9 1 1 A 21 21 THR H H 21 8.868 8.629 0.239 1
1 167 . 9 1 1 A 21 21 THR HA H 21 4.448 4.316 0.132 1
1 172 . 9 1 1 A 21 21 THR C C 21 175.491 176.034 -0.543 1
1 173 . 9 1 1 A 21 21 THR CA C 21 60.686 63.675 -2.989 1
1 174 . 9 1 1 A 21 21 THR CB C 21 70.760 69.045 1.715 1
1 176 . 9 1 1 A 21 21 THR N N 21 113.437 119.217 -5.780 1
1 177 . 9 1 1 A 22 22 GLN H H 22 8.993 8.742 0.251 1
1 178 . 9 1 1 A 22 22 GLN HA H 22 4.055 3.907 0.148 1
1 183 . 9 1 1 A 22 22 GLN C C 22 178.882 178.656 0.226 1
1 184 . 9 1 1 A 22 22 GLN CA C 22 58.899 59.066 -0.167 1
1 185 . 9 1 1 A 22 22 GLN CB C 22 28.366 28.551 -0.185 1
1 187 . 9 1 1 A 22 22 GLN N N 22 120.458 124.795 -4.337 1
1 188 . 9 1 1 A 23 23 GLY H H 23 8.580 8.498 0.082 1
1 189 . 9 1 1 A 23 23 GLY HA2 H 23 3.843 3.723 0.120 1
1 190 . 9 1 1 A 23 23 GLY HA3 H 23 3.843 3.724 0.119 1
1 191 . 9 1 1 A 23 23 GLY C C 23 176.518 175.845 0.673 1
1 192 . 9 1 1 A 23 23 GLY CA C 23 46.750 47.331 -0.581 1
1 193 . 9 1 1 A 23 23 GLY N N 23 107.047 109.030 -1.983 1
1 194 . 9 1 1 A 24 24 GLN H H 24 7.771 7.963 -0.192 1
1 195 . 9 1 1 A 24 24 GLN HA H 24 3.844 3.905 -0.061 1
1 202 . 9 1 1 A 24 24 GLN C C 24 177.564 178.397 -0.833 1
1 203 . 9 1 1 A 24 24 GLN CA C 24 59.397 58.722 0.675 1
1 204 . 9 1 1 A 24 24 GLN CB C 24 29.250 28.454 0.796 1
1 206 . 9 1 1 A 24 24 GLN N N 24 120.555 120.841 -0.286 1
1 208 . 9 1 1 A 25 25 VAL H H 25 8.029 8.074 -0.045 1
1 209 . 9 1 1 A 25 25 VAL HA H 25 3.163 3.289 -0.126 1
1 217 . 9 1 1 A 25 25 VAL C C 25 176.630 177.841 -1.211 1
1 218 . 9 1 1 A 25 25 VAL CA C 25 66.856 66.996 -0.140 1
1 219 . 9 1 1 A 25 25 VAL CB C 25 31.543 31.397 0.146 1
1 222 . 9 1 1 A 25 25 VAL N N 25 117.187 120.211 -3.024 1
1 223 . 9 1 1 A 26 26 LYS H H 26 7.924 8.445 -0.521 1
1 224 . 9 1 1 A 26 26 LYS HA H 26 3.995 3.903 0.092 1
1 230 . 9 1 1 A 26 26 LYS C C 26 178.199 178.422 -0.223 1
1 231 . 9 1 1 A 26 26 LYS CA C 26 59.506 59.820 -0.314 1
1 232 . 9 1 1 A 26 26 LYS CB C 26 32.209 32.168 0.041 1
1 236 . 9 1 1 A 26 26 LYS N N 26 119.341 120.200 -0.859 1
1 237 . 9 1 1 A 27 27 ILE H H 27 7.033 8.030 -0.997 1
1 238 . 9 1 1 A 27 27 ILE HA H 27 3.706 3.643 0.063 1
1 248 . 9 1 1 A 27 27 ILE C C 27 179.280 178.855 0.425 1
1 249 . 9 1 1 A 27 27 ILE CA C 27 64.803 64.902 -0.099 1
1 250 . 9 1 1 A 27 27 ILE CB C 27 38.361 37.304 1.057 1
1 254 . 9 1 1 A 27 27 ILE N N 27 117.901 120.496 -2.595 1
1 255 . 9 1 1 A 28 28 LEU H H 28 7.400 7.620 -0.220 1
1 256 . 9 1 1 A 28 28 LEU HA H 28 3.563 3.903 -0.340 1
1 266 . 9 1 1 A 28 28 LEU C C 28 177.369 178.455 -1.086 1
1 267 . 9 1 1 A 28 28 LEU CA C 28 58.256 57.963 0.293 1
1 268 . 9 1 1 A 28 28 LEU CB C 28 37.957 40.761 -2.804 1
1 272 . 9 1 1 A 28 28 LEU N N 28 121.290 121.271 0.019 1
1 273 . 9 1 1 A 29 29 GLU H H 29 8.880 8.638 0.242 1
1 274 . 9 1 1 A 29 29 GLU HA H 29 4.327 4.071 0.256 1
1 278 . 9 1 1 A 29 29 GLU C C 29 179.216 178.827 0.389 1
1 279 . 9 1 1 A 29 29 GLU CA C 29 59.430 59.947 -0.517 1
1 280 . 9 1 1 A 29 29 GLU CB C 29 29.276 29.357 -0.081 1
1 282 . 9 1 1 A 29 29 GLU N N 29 120.487 116.949 3.538 1
1 283 . 9 1 1 A 30 30 ASP H H 30 8.313 8.238 0.075 1
1 284 . 9 1 1 A 30 30 ASP HA H 30 4.422 4.405 0.017 1
1 287 . 9 1 1 A 30 30 ASP C C 30 179.036 178.280 0.756 1
1 288 . 9 1 1 A 30 30 ASP CA C 30 57.388 57.779 -0.391 1
1 289 . 9 1 1 A 30 30 ASP CB C 30 40.547 42.192 -1.645 1
1 290 . 9 1 1 A 30 30 ASP N N 30 118.471 119.760 -1.289 1
1 291 . 9 1 1 A 31 31 SER H H 31 7.406 7.942 -0.536 1
1 292 . 9 1 1 A 31 31 SER HA H 31 4.290 4.238 0.052 1
1 295 . 9 1 1 A 31 31 SER C C 31 177.290 177.130 0.160 1
1 296 . 9 1 1 A 31 31 SER CA C 31 61.575 61.580 -0.005 1
1 297 . 9 1 1 A 31 31 SER CB C 31 63.167 62.943 0.224 1
1 298 . 9 1 1 A 31 31 SER N N 31 113.187 114.192 -1.005 1
1 299 . 9 1 1 A 32 32 PHE H H 32 9.117 8.352 0.765 1
1 300 . 9 1 1 A 32 32 PHE HA H 32 4.369 4.182 0.187 1
1 308 . 9 1 1 A 32 32 PHE C C 32 176.545 177.224 -0.679 1
1 309 . 9 1 1 A 32 32 PHE CA C 32 61.569 61.802 -0.233 1
1 310 . 9 1 1 A 32 32 PHE CB C 32 39.362 38.973 0.389 1
1 316 . 9 1 1 A 32 32 PHE N N 32 121.840 122.536 -0.696 1
1 317 . 9 1 1 A 33 33 LEU H H 33 8.235 8.757 -0.522 1
1 318 . 9 1 1 A 33 33 LEU HA H 33 3.965 4.125 -0.160 1
1 328 . 9 1 1 A 33 33 LEU C C 33 179.575 179.259 0.316 1
1 329 . 9 1 1 A 33 33 LEU CA C 33 56.998 58.419 -1.421 1
1 330 . 9 1 1 A 33 33 LEU CB C 33 42.053 41.901 0.152 1
1 334 . 9 1 1 A 33 33 LEU N N 33 115.363 120.087 -4.724 1
1 335 . 9 1 1 A 34 34 LYS H H 34 7.509 7.704 -0.195 1
1 336 . 9 1 1 A 34 34 LYS HA H 34 4.174 4.218 -0.044 1
1 343 . 9 1 1 A 34 34 LYS C C 34 178.190 176.499 1.691 1
1 344 . 9 1 1 A 34 34 LYS CA C 34 58.819 58.422 0.397 1
1 345 . 9 1 1 A 34 34 LYS CB C 34 32.352 33.059 -0.707 1
1 349 . 9 1 1 A 34 34 LYS N N 34 119.688 117.166 2.522 1
1 350 . 9 1 1 A 35 35 SER H H 35 8.130 8.390 -0.260 1
1 351 . 9 1 1 A 35 35 SER HA H 35 4.379 4.796 -0.417 1
1 354 . 9 1 1 A 35 35 SER C C 35 174.000 173.936 0.064 1
1 355 . 9 1 1 A 35 35 SER CA C 35 58.202 57.634 0.568 1
1 356 . 9 1 1 A 35 35 SER CB C 35 64.375 64.659 -0.284 1
1 357 . 9 1 1 A 35 35 SER N N 35 112.275 115.077 -2.802 1
1 358 . 9 1 1 A 36 36 SER H H 36 8.404 8.598 -0.194 1
1 359 . 9 1 1 A 36 36 SER HA H 36 3.952 2.748 1.204 1
1 362 . 9 1 1 A 36 36 SER C C 36 172.467 174.649 -2.182 1
1 363 . 9 1 1 A 36 36 SER CA C 36 59.127 61.633 -2.506 1
1 364 . 9 1 1 A 36 36 SER CB C 36 63.788 62.870 0.918 1
1 365 . 9 1 1 A 36 36 SER N N 36 121.307 120.743 0.564 1
1 366 . 9 1 1 A 37 37 PHE H H 37 7.735 8.111 -0.376 1
1 367 . 9 1 1 A 37 37 PHE HA H 37 4.859 4.965 -0.106 1
1 375 . 9 1 1 A 37 37 PHE C C 37 172.549 173.784 -1.235 1
1 376 . 9 1 1 A 37 37 PHE CA C 37 55.604 55.002 0.602 1
1 377 . 9 1 1 A 37 37 PHE CB C 37 39.842 39.149 0.693 1
1 383 . 9 1 1 A 37 37 PHE N N 37 118.373 119.669 -1.296 1
1 384 . 9 1 1 A 38 38 PRO HA H 38 4.391 4.629 -0.238 1
1 391 . 9 1 1 A 38 38 PRO C C 38 177.660 175.582 2.078 1
1 392 . 9 1 1 A 38 38 PRO CA C 38 62.193 62.373 -0.180 1
1 393 . 9 1 1 A 38 38 PRO CB C 38 31.490 32.995 -1.505 1
1 396 . 9 1 1 A 39 39 THR H H 39 7.809 8.398 -0.589 1
1 397 . 9 1 1 A 39 39 THR HA H 39 4.322 4.749 -0.427 1
1 402 . 9 1 1 A 39 39 THR C C 39 174.966 175.166 -0.200 1
1 403 . 9 1 1 A 39 39 THR CA C 39 60.648 59.789 0.859 1
1 404 . 9 1 1 A 39 39 THR CB C 39 71.192 71.114 0.078 1
1 406 . 9 1 1 A 39 39 THR N N 39 111.373 116.095 -4.722 1
1 407 . 9 1 1 A 40 40 GLN H H 40 8.880 8.994 -0.114 1
1 408 . 9 1 1 A 40 40 GLN HA H 40 3.907 3.927 -0.020 1
1 414 . 9 1 1 A 40 40 GLN C C 40 177.855 177.859 -0.004 1
1 415 . 9 1 1 A 40 40 GLN CA C 40 59.243 59.569 -0.326 1
1 416 . 9 1 1 A 40 40 GLN CB C 40 28.107 28.495 -0.388 1
1 418 . 9 1 1 A 40 40 GLN N N 40 120.143 126.223 -6.080 1
1 420 . 9 1 1 A 41 41 ALA H H 41 8.286 8.018 0.268 1
1 421 . 9 1 1 A 41 41 ALA HA H 41 4.212 4.087 0.125 1
1 425 . 9 1 1 A 41 41 ALA C C 41 180.741 179.202 1.539 1
1 426 . 9 1 1 A 41 41 ALA CA C 41 55.009 54.929 0.080 1
1 427 . 9 1 1 A 41 41 ALA CB C 41 18.111 18.360 -0.249 1
1 428 . 9 1 1 A 41 41 ALA N N 41 119.773 122.164 -2.391 1
1 429 . 9 1 1 A 42 42 GLU H H 42 7.772 8.345 -0.573 1
1 430 . 9 1 1 A 42 42 GLU HA H 42 4.673 3.988 0.685 1
1 435 . 9 1 1 A 42 42 GLU C C 42 178.478 178.621 -0.143 1
1 436 . 9 1 1 A 42 42 GLU CA C 42 57.730 59.710 -1.980 1
1 437 . 9 1 1 A 42 42 GLU CB C 42 28.610 29.556 -0.946 1
1 439 . 9 1 1 A 42 42 GLU N N 42 122.141 118.390 3.751 1
1 440 . 9 1 1 A 43 43 LEU H H 43 8.472 8.387 0.085 1
1 441 . 9 1 1 A 43 43 LEU HA H 43 3.924 3.830 0.094 1
1 451 . 9 1 1 A 43 43 LEU C C 43 179.842 178.466 1.376 1
1 452 . 9 1 1 A 43 43 LEU CA C 43 58.828 57.686 1.142 1
1 453 . 9 1 1 A 43 43 LEU CB C 43 41.540 41.545 -0.005 1
1 457 . 9 1 1 A 43 43 LEU N N 43 121.542 120.628 0.914 1
1 458 . 9 1 1 A 44 44 ASP H H 44 8.384 8.275 0.109 1
1 459 . 9 1 1 A 44 44 ASP HA H 44 4.447 4.229 0.218 1
1 462 . 9 1 1 A 44 44 ASP C C 44 178.428 178.867 -0.439 1
1 463 . 9 1 1 A 44 44 ASP CA C 44 57.812 57.504 0.308 1
1 464 . 9 1 1 A 44 44 ASP CB C 44 40.226 40.819 -0.593 1
1 465 . 9 1 1 A 44 44 ASP N N 44 119.756 118.193 1.563 1
1 466 . 9 1 1 A 45 45 ARG H H 45 7.979 7.952 0.027 1
1 467 . 9 1 1 A 45 45 ARG HA H 45 4.058 4.158 -0.100 1
1 475 . 9 1 1 A 45 45 ARG C C 45 179.249 178.751 0.498 1
1 476 . 9 1 1 A 45 45 ARG CA C 45 59.629 58.360 1.269 1
1 477 . 9 1 1 A 45 45 ARG CB C 45 30.553 29.759 0.794 1
1 480 . 9 1 1 A 45 45 ARG N N 45 123.029 120.141 2.888 1
1 482 . 9 1 1 A 46 46 LEU H H 46 8.943 8.261 0.682 1
1 483 . 9 1 1 A 46 46 LEU HA H 46 3.922 3.950 -0.028 1
1 493 . 9 1 1 A 46 46 LEU C C 46 180.973 179.020 1.953 1
1 494 . 9 1 1 A 46 46 LEU CA C 46 57.885 57.854 0.031 1
1 495 . 9 1 1 A 46 46 LEU CB C 46 42.943 41.369 1.574 1
1 499 . 9 1 1 A 46 46 LEU N N 46 118.282 119.690 -1.408 1
1 500 . 9 1 1 A 47 47 ARG H H 47 8.421 8.601 -0.180 1
1 501 . 9 1 1 A 47 47 ARG HA H 47 4.050 3.959 0.091 1
1 508 . 9 1 1 A 47 47 ARG C C 47 178.760 178.382 0.378 1
1 509 . 9 1 1 A 47 47 ARG CA C 47 60.366 59.159 1.207 1
1 510 . 9 1 1 A 47 47 ARG CB C 47 29.957 29.988 -0.031 1
1 513 . 9 1 1 A 47 47 ARG N N 47 125.416 117.605 7.811 1
1 514 . 9 1 1 A 48 48 VAL H H 48 7.626 7.718 -0.092 1
1 515 . 9 1 1 A 48 48 VAL HA H 48 3.700 3.695 0.005 1
1 523 . 9 1 1 A 48 48 VAL C C 48 178.628 177.613 1.015 1
1 524 . 9 1 1 A 48 48 VAL CA C 48 66.325 65.127 1.198 1
1 525 . 9 1 1 A 48 48 VAL CB C 48 31.902 31.357 0.545 1
1 528 . 9 1 1 A 48 48 VAL N N 48 119.769 119.646 0.123 1
1 529 . 9 1 1 A 49 49 GLU H H 49 8.419 8.519 -0.100 1
1 530 . 9 1 1 A 49 49 GLU HA H 49 4.202 4.020 0.182 1
1 534 . 9 1 1 A 49 49 GLU C C 49 178.866 178.715 0.151 1
1 535 . 9 1 1 A 49 49 GLU CA C 49 59.062 59.366 -0.304 1
1 536 . 9 1 1 A 49 49 GLU CB C 49 30.950 29.479 1.471 1
1 538 . 9 1 1 A 49 49 GLU N N 49 116.074 120.843 -4.769 1
1 539 . 9 1 1 A 50 50 THR H H 50 8.436 8.142 0.294 1
1 540 . 9 1 1 A 50 50 THR HA H 50 4.335 4.241 0.094 1
1 545 . 9 1 1 A 50 50 THR C C 50 175.412 174.430 0.982 1
1 546 . 9 1 1 A 50 50 THR CA C 50 63.447 62.550 0.897 1
1 547 . 9 1 1 A 50 50 THR CB C 50 71.702 69.555 2.147 1
1 549 . 9 1 1 A 50 50 THR N N 50 105.198 110.477 -5.279 1
1 550 . 9 1 1 A 51 51 LYS H H 51 7.745 7.820 -0.075 1
1 551 . 9 1 1 A 51 51 LYS HA H 51 4.032 3.789 0.243 1
1 559 . 9 1 1 A 51 51 LYS C C 51 175.949 174.715 1.234 1
1 560 . 9 1 1 A 51 51 LYS CA C 51 58.428 57.321 1.107 1
1 561 . 9 1 1 A 51 51 LYS CB C 51 29.225 29.216 0.009 1
1 565 . 9 1 1 A 51 51 LYS N N 51 114.904 116.830 -1.926 1
1 566 . 9 1 1 A 52 52 LEU H H 52 7.679 7.839 -0.160 1
1 567 . 9 1 1 A 52 52 LEU HA H 52 4.519 5.033 -0.514 1
1 577 . 9 1 1 A 52 52 LEU C C 52 176.301 175.865 0.436 1
1 578 . 9 1 1 A 52 52 LEU CA C 52 53.820 53.068 0.752 1
1 579 . 9 1 1 A 52 52 LEU CB C 52 43.987 45.914 -1.927 1
1 583 . 9 1 1 A 52 52 LEU N N 52 120.156 118.700 1.456 1
1 584 . 9 1 1 A 53 53 SER H H 53 8.599 8.800 -0.201 1
1 585 . 9 1 1 A 53 53 SER HA H 53 4.454 4.647 -0.193 1
1 588 . 9 1 1 A 53 53 SER C C 53 175.265 175.639 -0.374 1
1 589 . 9 1 1 A 53 53 SER CA C 53 57.586 57.023 0.563 1
1 590 . 9 1 1 A 53 53 SER CB C 53 65.402 65.080 0.322 1
1 591 . 9 1 1 A 53 53 SER N N 53 114.483 117.004 -2.521 1
1 592 . 9 1 1 A 54 54 ARG H H 54 9.030 8.888 0.142 1
1 593 . 9 1 1 A 54 54 ARG HA H 54 3.925 3.881 0.044 1
1 599 . 9 1 1 A 54 54 ARG C C 54 178.621 178.857 -0.236 1
1 600 . 9 1 1 A 54 54 ARG CA C 54 59.660 60.096 -0.436 1
1 601 . 9 1 1 A 54 54 ARG CB C 54 29.594 30.040 -0.446 1
1 604 . 9 1 1 A 54 54 ARG N N 54 121.039 124.494 -3.455 1
1 605 . 9 1 1 A 55 55 ARG H H 55 8.472 7.818 0.654 1
1 606 . 9 1 1 A 55 55 ARG HA H 55 4.253 3.991 0.262 1
1 611 . 9 1 1 A 55 55 ARG C C 55 179.367 178.354 1.013 1
1 612 . 9 1 1 A 55 55 ARG CA C 55 59.387 59.452 -0.065 1
1 613 . 9 1 1 A 55 55 ARG CB C 55 30.068 29.897 0.171 1
1 616 . 9 1 1 A 55 55 ARG N N 55 117.655 119.473 -1.818 1
1 617 . 9 1 1 A 56 56 GLU H H 56 7.849 8.229 -0.380 1
1 618 . 9 1 1 A 56 56 GLU HA H 56 3.909 4.002 -0.093 1
1 622 . 9 1 1 A 56 56 GLU C C 56 179.885 179.280 0.605 1
1 623 . 9 1 1 A 56 56 GLU CA C 56 59.421 59.168 0.253 1
1 624 . 9 1 1 A 56 56 GLU CB C 56 30.907 29.234 1.673 1
1 626 . 9 1 1 A 56 56 GLU N N 56 119.916 117.625 2.291 1
1 627 . 9 1 1 A 57 57 ILE H H 57 8.254 7.785 0.469 1
1 628 . 9 1 1 A 57 57 ILE HA H 57 3.732 3.801 -0.069 1
1 638 . 9 1 1 A 57 57 ILE C C 57 177.586 177.778 -0.192 1
1 639 . 9 1 1 A 57 57 ILE CA C 57 66.553 65.570 0.983 1
1 640 . 9 1 1 A 57 57 ILE CB C 57 38.596 37.629 0.967 1
1 644 . 9 1 1 A 57 57 ILE N N 57 122.354 121.033 1.321 1
1 645 . 9 1 1 A 58 58 ASP H H 58 8.899 8.542 0.357 1
1 646 . 9 1 1 A 58 58 ASP HA H 58 4.621 4.251 0.370 1
1 649 . 9 1 1 A 58 58 ASP C C 58 180.161 178.115 2.046 1
1 650 . 9 1 1 A 58 58 ASP CA C 58 58.114 57.448 0.666 1
1 651 . 9 1 1 A 58 58 ASP CB C 58 40.817 40.963 -0.146 1
1 652 . 9 1 1 A 58 58 ASP N N 58 121.029 121.131 -0.102 1
1 653 . 9 1 1 A 59 59 SER H H 59 8.321 7.848 0.473 1
1 654 . 9 1 1 A 59 59 SER HA H 59 4.371 4.188 0.183 1
1 656 . 9 1 1 A 59 59 SER C C 59 176.017 177.078 -1.061 1
1 657 . 9 1 1 A 59 59 SER CA C 59 61.870 61.403 0.467 1
1 658 . 9 1 1 A 59 59 SER CB C 59 63.076 63.237 -0.161 1
1 659 . 9 1 1 A 59 59 SER N N 59 114.708 113.601 1.107 1
1 660 . 9 1 1 A 60 60 TRP H H 60 8.209 8.141 0.068 1
1 661 . 9 1 1 A 60 60 TRP HA H 60 4.019 4.383 -0.364 1
1 670 . 9 1 1 A 60 60 TRP C C 60 179.214 178.634 0.580 1
1 671 . 9 1 1 A 60 60 TRP CA C 60 62.981 61.350 1.631 1
1 672 . 9 1 1 A 60 60 TRP CB C 60 28.693 29.788 -1.095 1
1 678 . 9 1 1 A 60 60 TRP N N 60 123.289 123.859 -0.570 1
1 680 . 9 1 1 A 61 61 PHE H H 61 8.941 8.567 0.374 1
1 681 . 9 1 1 A 61 61 PHE HA H 61 3.798 4.409 -0.611 1
1 689 . 9 1 1 A 61 61 PHE C C 61 178.097 178.321 -0.224 1
1 690 . 9 1 1 A 61 61 PHE CA C 61 63.866 61.761 2.105 1
1 691 . 9 1 1 A 61 61 PHE CB C 61 39.642 38.717 0.925 1
1 697 . 9 1 1 A 61 61 PHE N N 61 118.838 118.172 0.666 1
1 698 . 9 1 1 A 62 62 SER H H 62 8.179 8.725 -0.546 1
1 699 . 9 1 1 A 62 62 SER HA H 62 4.134 4.144 -0.010 1
1 702 . 9 1 1 A 62 62 SER C C 62 177.996 176.634 1.362 1
1 703 . 9 1 1 A 62 62 SER CA C 62 62.064 62.304 -0.240 1
1 704 . 9 1 1 A 62 62 SER CB C 62 62.890 62.765 0.125 1
1 705 . 9 1 1 A 62 62 SER N N 62 113.145 115.501 -2.356 1
1 706 . 9 1 1 A 63 63 GLU H H 63 8.027 7.682 0.345 1
1 707 . 9 1 1 A 63 63 GLU HA H 63 3.910 4.109 -0.199 1
1 711 . 9 1 1 A 63 63 GLU C C 63 178.729 178.643 0.086 1
1 712 . 9 1 1 A 63 63 GLU CA C 63 58.637 59.067 -0.430 1
1 713 . 9 1 1 A 63 63 GLU CB C 63 29.188 29.500 -0.312 1
1 715 . 9 1 1 A 63 63 GLU N N 63 120.533 121.686 -1.153 1
1 716 . 9 1 1 A 64 64 ARG H H 64 8.166 7.986 0.180 1
1 717 . 9 1 1 A 64 64 ARG HA H 64 3.498 3.392 0.106 1
1 725 . 9 1 1 A 64 64 ARG C C 64 179.466 178.436 1.030 1
1 726 . 9 1 1 A 64 64 ARG CA C 64 56.502 59.086 -2.584 1
1 727 . 9 1 1 A 64 64 ARG CB C 64 28.148 29.155 -1.007 1
1 730 . 9 1 1 A 64 64 ARG N N 64 122.505 120.468 2.037 1
1 732 . 9 1 1 A 65 65 ARG H H 65 8.002 8.070 -0.068 1
1 733 . 9 1 1 A 65 65 ARG HA H 65 4.086 4.165 -0.079 1
1 740 . 9 1 1 A 65 65 ARG C C 65 177.832 178.762 -0.930 1
1 741 . 9 1 1 A 65 65 ARG CA C 65 60.054 60.097 -0.043 1
1 742 . 9 1 1 A 65 65 ARG CB C 65 31.425 30.105 1.320 1
1 745 . 9 1 1 A 65 65 ARG N N 65 117.887 117.718 0.169 1
1 746 . 9 1 1 A 66 66 LYS H H 66 7.356 7.638 -0.282 1
1 747 . 9 1 1 A 66 66 LYS HA H 66 4.141 4.060 0.081 1
1 753 . 9 1 1 A 66 66 LYS C C 66 178.353 178.861 -0.508 1
1 754 . 9 1 1 A 66 66 LYS CA C 66 58.444 58.821 -0.377 1
1 755 . 9 1 1 A 66 66 LYS CB C 66 32.288 32.237 0.051 1
1 759 . 9 1 1 A 66 66 LYS N N 66 118.479 119.404 -0.925 1
1 760 . 9 1 1 A 67 67 LEU H H 67 7.604 8.319 -0.715 1
1 761 . 9 1 1 A 67 67 LEU HA H 67 4.143 3.969 0.174 1
1 771 . 9 1 1 A 67 67 LEU C C 67 178.510 178.828 -0.318 1
1 772 . 9 1 1 A 67 67 LEU CA C 67 56.712 57.979 -1.267 1
1 773 . 9 1 1 A 67 67 LEU CB C 67 41.857 41.437 0.420 1
1 777 . 9 1 1 A 67 67 LEU N N 67 120.424 117.523 2.901 1
1 778 . 9 1 1 A 68 68 ARG H H 68 7.914 8.534 -0.620 1
1 779 . 9 1 1 A 68 68 ARG HA H 68 4.262 3.960 0.302 1
1 786 . 9 1 1 A 68 68 ARG C C 68 177.396 178.757 -1.361 1
1 787 . 9 1 1 A 68 68 ARG CA C 68 57.589 59.337 -1.748 1
1 788 . 9 1 1 A 68 68 ARG CB C 68 30.211 30.334 -0.123 1
1 791 . 9 1 1 A 68 68 ARG N N 68 120.638 118.471 2.167 1
1 792 . 9 1 1 A 69 69 ASP H H 69 8.337 8.202 0.135 1
1 793 . 9 1 1 A 69 69 ASP HA H 69 4.592 4.382 0.210 1
1 796 . 9 1 1 A 69 69 ASP C C 69 176.826 177.505 -0.679 1
1 797 . 9 1 1 A 69 69 ASP CA C 69 55.527 57.648 -2.121 1
1 798 . 9 1 1 A 69 69 ASP CB C 69 40.833 41.951 -1.118 1
1 799 . 9 1 1 A 69 69 ASP N N 69 119.845 120.140 -0.295 1
1 800 . 9 1 1 A 70 70 SER H H 70 8.002 7.698 0.304 1
1 801 . 9 1 1 A 70 70 SER HA H 70 4.473 4.484 -0.011 1
1 804 . 9 1 1 A 70 70 SER C C 70 174.524 173.900 0.624 1
1 805 . 9 1 1 A 70 70 SER CA C 70 59.070 58.465 0.605 1
1 806 . 9 1 1 A 70 70 SER CB C 70 63.887 63.755 0.132 1
1 807 . 9 1 1 A 70 70 SER N N 70 114.740 114.888 -0.148 1
1 808 . 9 1 1 A 71 71 MET H H 71 8.117 8.752 -0.635 1
1 809 . 9 1 1 A 71 71 MET HA H 71 4.559 5.054 -0.495 1
1 817 . 9 1 1 A 71 71 MET C C 71 175.392 175.266 0.126 1
1 818 . 9 1 1 A 71 71 MET CA C 71 55.711 53.891 1.820 1
1 819 . 9 1 1 A 71 71 MET CB C 71 33.246 33.798 -0.552 1
1 822 . 9 1 1 A 71 71 MET N N 71 121.694 125.490 -3.796 1
1 823 . 9 1 1 A 72 72 GLU HA H 72 4.245 5.223 -0.978 1
1 827 . 9 1 1 A 72 72 GLU C C 72 177.767 174.946 2.821 1
1 828 . 9 1 1 A 72 72 GLU CA C 72 57.871 54.199 3.672 1
1 829 . 9 1 1 A 72 72 GLU CB C 72 29.798 33.993 -4.195 1
1 831 . 9 1 1 A 73 73 GLN H H 73 8.210 8.918 -0.708 1
1 832 . 9 1 1 A 73 73 GLN HA H 73 4.177 5.287 -1.110 1
1 836 . 9 1 1 A 73 73 GLN C C 73 176.422 174.161 2.261 1
1 837 . 9 1 1 A 73 73 GLN CA C 73 56.899 54.172 2.727 1
1 838 . 9 1 1 A 73 73 GLN CB C 73 28.852 31.532 -2.680 1
1 840 . 9 1 1 A 73 73 GLN N N 73 120.076 118.935 1.141 1
1 841 . 9 1 1 A 74 74 ALA H H 74 8.099 8.720 -0.621 1
1 842 . 9 1 1 A 74 74 ALA HA H 74 4.239 4.859 -0.620 1
1 846 . 9 1 1 A 74 74 ALA C C 74 178.960 174.908 4.052 1
1 847 . 9 1 1 A 74 74 ALA CA C 74 53.837 51.234 2.603 1
1 848 . 9 1 1 A 74 74 ALA CB C 74 18.794 23.921 -5.127 1
1 849 . 9 1 1 A 74 74 ALA N N 74 123.168 123.010 0.158 1
1 850 . 9 1 1 A 75 75 VAL H H 75 7.886 8.485 -0.599 1
1 851 . 9 1 1 A 75 75 VAL HA H 75 3.985 4.746 -0.761 1
1 859 . 9 1 1 A 75 75 VAL C C 75 177.376 175.755 1.621 1
1 860 . 9 1 1 A 75 75 VAL CA C 75 63.895 61.236 2.659 1
1 861 . 9 1 1 A 75 75 VAL CB C 75 32.450 34.929 -2.479 1
1 864 . 9 1 1 A 75 75 VAL N N 75 119.018 118.146 0.872 1
1 865 . 9 1 1 A 76 76 LEU H H 76 8.074 8.898 -0.824 1
1 866 . 9 1 1 A 76 76 LEU HA H 76 4.291 5.072 -0.781 1
1 876 . 9 1 1 A 76 76 LEU C C 76 178.363 175.008 3.355 1
1 877 . 9 1 1 A 76 76 LEU CA C 76 56.247 52.778 3.469 1
1 878 . 9 1 1 A 76 76 LEU CB C 76 42.342 44.646 -2.304 1
1 882 . 9 1 1 A 76 76 LEU N N 76 124.324 123.948 0.376 1
1 883 . 9 1 1 A 77 77 ASP H H 77 8.443 8.575 -0.132 1
1 884 . 9 1 1 A 77 77 ASP HA H 77 4.593 5.205 -0.612 1
1 887 . 9 1 1 A 77 77 ASP C C 77 177.224 175.453 1.771 1
1 888 . 9 1 1 A 77 77 ASP CA C 77 55.364 53.466 1.898 1
1 889 . 9 1 1 A 77 77 ASP CB C 77 40.970 43.261 -2.291 1
1 890 . 9 1 1 A 77 77 ASP N N 77 120.595 120.934 -0.339 1
1 891 . 9 1 1 A 78 78 SER H H 78 8.121 8.708 -0.587 1
1 892 . 9 1 1 A 78 78 SER HA H 78 4.421 4.889 -0.468 1
1 894 . 9 1 1 A 78 78 SER C C 78 175.244 173.357 1.887 1
1 895 . 9 1 1 A 78 78 SER CA C 78 58.809 56.980 1.829 1
1 896 . 9 1 1 A 78 78 SER CB C 78 63.674 63.935 -0.261 1
1 897 . 9 1 1 A 78 78 SER N N 78 115.700 119.164 -3.464 1
1 898 . 9 1 1 A 79 79 MET H H 79 8.202 8.926 -0.724 1
1 899 . 9 1 1 A 79 79 MET HA H 79 4.525 5.306 -0.781 1
1 903 . 9 1 1 A 79 79 MET C C 79 177.199 174.626 2.573 1
1 904 . 9 1 1 A 79 79 MET CA C 79 56.010 53.980 2.030 1
1 905 . 9 1 1 A 79 79 MET CB C 79 32.610 35.004 -2.394 1
1 907 . 9 1 1 A 79 79 MET N N 79 121.204 123.212 -2.008 1
1 908 . 9 1 1 A 80 80 GLY H H 80 8.268 8.366 -0.098 1
1 909 . 9 1 1 A 80 80 GLY C C 80 174.529 174.205 0.324 1
1 910 . 9 1 1 A 80 80 GLY CA C 80 45.637 45.086 0.551 1
1 911 . 9 1 1 A 80 80 GLY N N 80 109.108 109.177 -0.069 1
1 912 . 9 1 1 A 81 81 SER HA H 81 4.478 4.343 0.135 1
1 915 . 9 1 1 A 81 81 SER C C 81 175.336 174.121 1.215 1
1 916 . 9 1 1 A 81 81 SER CA C 81 58.701 59.589 -0.888 1
1 917 . 9 1 1 A 81 81 SER CB C 81 63.977 63.427 0.550 1
1 918 . 9 1 1 A 82 82 GLY H H 82 8.526 7.790 0.736 1
1 919 . 9 1 1 A 82 82 GLY HA2 H 82 4.018 4.074 -0.056 1
1 920 . 9 1 1 A 82 82 GLY HA3 H 82 4.018 4.074 -0.056 1
1 921 . 9 1 1 A 82 82 GLY C C 82 174.290 172.903 1.387 1
1 922 . 9 1 1 A 82 82 GLY CA C 82 45.485 43.943 1.542 1
1 923 . 9 1 1 A 82 82 GLY N N 82 110.928 108.918 2.010 1
1 924 . 9 1 1 A 83 83 LYS H H 83 8.159 8.443 -0.284 1
1 925 . 9 1 1 A 83 83 LYS C C 83 176.692 174.707 1.985 1
1 926 . 9 1 1 A 83 83 LYS CA C 83 56.216 55.091 1.125 1
1 927 . 9 1 1 A 83 83 LYS CB C 83 33.201 34.420 -1.219 1
1 928 . 9 1 1 A 83 83 LYS N N 83 120.759 122.641 -1.882 1
1 929 . 9 1 1 A 88 88 SER HA H 88 4.509 4.637 -0.128 1
1 932 . 9 1 1 A 88 88 SER C C 88 173.946 174.153 -0.207 1
1 933 . 9 1 1 A 88 88 SER CA C 88 58.432 58.525 -0.093 1
1 934 . 9 1 1 A 88 88 SER CB C 88 64.208 64.142 0.066 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.940 4.147 -0.207 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.940 4.148 -0.208 1
1 3 . 10 1 1 A 7 7 GLY C C 7 173.532 172.107 1.425 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.255 44.959 0.296 1
1 5 . 10 1 1 A 8 8 ALA H H 8 8.010 8.620 -0.610 1
1 6 . 10 1 1 A 8 8 ALA HA H 8 4.259 5.565 -1.306 1
1 10 . 10 1 1 A 8 8 ALA C C 8 176.987 175.677 1.310 1
1 11 . 10 1 1 A 8 8 ALA CA C 8 52.334 50.636 1.698 1
1 12 . 10 1 1 A 8 8 ALA CB C 8 19.389 21.688 -2.299 1
1 13 . 10 1 1 A 8 8 ALA N N 8 123.317 125.196 -1.879 1
1 14 . 10 1 1 A 9 9 TYR H H 9 8.110 8.796 -0.686 1
1 15 . 10 1 1 A 9 9 TYR HA H 9 4.832 5.112 -0.280 1
1 22 . 10 1 1 A 9 9 TYR C C 9 174.112 172.969 1.143 1
1 23 . 10 1 1 A 9 9 TYR CA C 9 55.642 56.040 -0.398 1
1 24 . 10 1 1 A 9 9 TYR CB C 9 38.292 43.629 -5.337 1
1 29 . 10 1 1 A 9 9 TYR N N 9 120.065 124.072 -4.007 1
1 30 . 10 1 1 A 10 10 PRO HA H 10 4.377 4.544 -0.167 1
1 36 . 10 1 1 A 10 10 PRO C C 10 176.388 174.656 1.732 1
1 37 . 10 1 1 A 10 10 PRO CA C 10 63.332 62.922 0.410 1
1 38 . 10 1 1 A 10 10 PRO CB C 10 31.985 32.414 -0.429 1
1 41 . 10 1 1 A 11 11 ASP H H 11 8.249 8.858 -0.609 1
1 42 . 10 1 1 A 11 11 ASP HA H 11 4.537 4.878 -0.341 1
1 45 . 10 1 1 A 11 11 ASP C C 11 175.893 174.923 0.970 1
1 46 . 10 1 1 A 11 11 ASP CA C 11 54.410 53.507 0.903 1
1 47 . 10 1 1 A 11 11 ASP CB C 11 41.149 44.909 -3.760 1
1 48 . 10 1 1 A 11 11 ASP N N 11 119.884 121.811 -1.927 1
1 49 . 10 1 1 A 12 12 PHE H H 12 8.028 8.708 -0.680 1
1 50 . 10 1 1 A 12 12 PHE HA H 12 4.616 4.576 0.040 1
1 55 . 10 1 1 A 12 12 PHE C C 12 175.001 176.084 -1.083 1
1 56 . 10 1 1 A 12 12 PHE CA C 12 57.417 58.569 -1.152 1
1 57 . 10 1 1 A 12 12 PHE CB C 12 39.577 39.744 -0.167 1
1 60 . 10 1 1 A 12 12 PHE N N 12 119.972 123.336 -3.364 1
1 61 . 10 1 1 A 13 13 ALA H H 13 8.118 8.976 -0.858 1
1 62 . 10 1 1 A 13 13 ALA HA H 13 4.570 4.027 0.543 1
1 66 . 10 1 1 A 13 13 ALA C C 13 175.002 176.164 -1.162 1
1 67 . 10 1 1 A 13 13 ALA CA C 13 50.500 52.897 -2.397 1
1 68 . 10 1 1 A 13 13 ALA CB C 13 18.532 17.470 1.062 1
1 69 . 10 1 1 A 13 13 ALA N N 13 126.968 122.267 4.701 1
1 70 . 10 1 1 A 14 14 PRO HA H 14 4.349 4.593 -0.244 1
1 76 . 10 1 1 A 14 14 PRO C C 14 177.054 177.504 -0.450 1
1 77 . 10 1 1 A 14 14 PRO CA C 14 63.380 62.671 0.709 1
1 78 . 10 1 1 A 14 14 PRO CB C 14 31.960 32.739 -0.779 1
1 81 . 10 1 1 A 15 15 GLN H H 15 8.411 8.906 -0.495 1
1 82 . 10 1 1 A 15 15 GLN HA H 15 4.221 4.021 0.200 1
1 88 . 10 1 1 A 15 15 GLN C C 15 175.815 175.648 0.167 1
1 89 . 10 1 1 A 15 15 GLN CA C 15 55.929 59.137 -3.208 1
1 90 . 10 1 1 A 15 15 GLN CB C 15 29.270 28.566 0.704 1
1 92 . 10 1 1 A 15 15 GLN N N 15 120.172 120.412 -0.240 1
1 94 . 10 1 1 A 16 16 LYS H H 16 8.171 7.698 0.473 1
1 95 . 10 1 1 A 16 16 LYS HA H 16 4.234 4.562 -0.328 1
1 102 . 10 1 1 A 16 16 LYS C C 16 176.196 176.331 -0.135 1
1 103 . 10 1 1 A 16 16 LYS CA C 16 56.236 55.200 1.036 1
1 104 . 10 1 1 A 16 16 LYS CB C 16 33.171 33.534 -0.363 1
1 108 . 10 1 1 A 16 16 LYS N N 16 122.238 114.669 7.569 1
1 109 . 10 1 1 A 17 17 PHE H H 17 8.257 9.185 -0.928 1
1 110 . 10 1 1 A 17 17 PHE HA H 17 4.715 4.144 0.571 1
1 117 . 10 1 1 A 17 17 PHE C C 17 175.737 174.448 1.289 1
1 118 . 10 1 1 A 17 17 PHE CA C 17 57.341 58.739 -1.398 1
1 119 . 10 1 1 A 17 17 PHE CB C 17 39.776 37.742 2.034 1
1 124 . 10 1 1 A 17 17 PHE N N 17 121.572 119.787 1.785 1
1 125 . 10 1 1 A 18 18 LYS H H 18 8.411 7.556 0.855 1
1 126 . 10 1 1 A 18 18 LYS HA H 18 4.285 4.800 -0.515 1
1 132 . 10 1 1 A 18 18 LYS C C 18 176.317 174.517 1.800 1
1 133 . 10 1 1 A 18 18 LYS CA C 18 56.146 54.630 1.516 1
1 134 . 10 1 1 A 18 18 LYS CB C 18 33.269 36.087 -2.818 1
1 138 . 10 1 1 A 18 18 LYS N N 18 123.072 114.323 8.749 1
1 139 . 10 1 1 A 19 19 GLU H H 19 8.494 8.781 -0.287 1
1 140 . 10 1 1 A 19 19 GLU HA H 19 4.243 4.931 -0.688 1
1 144 . 10 1 1 A 19 19 GLU C C 19 176.811 174.127 2.684 1
1 145 . 10 1 1 A 19 19 GLU CA C 19 56.916 55.226 1.690 1
1 146 . 10 1 1 A 19 19 GLU CB C 19 30.158 33.723 -3.565 1
1 148 . 10 1 1 A 19 19 GLU N N 19 123.032 121.519 1.513 1
1 149 . 10 1 1 A 20 20 LYS H H 20 8.530 8.599 -0.069 1
1 150 . 10 1 1 A 20 20 LYS HA H 20 4.560 4.926 -0.366 1
1 159 . 10 1 1 A 20 20 LYS C C 20 177.491 175.896 1.595 1
1 160 . 10 1 1 A 20 20 LYS CA C 20 56.105 54.740 1.365 1
1 161 . 10 1 1 A 20 20 LYS CB C 20 34.248 36.577 -2.329 1
1 165 . 10 1 1 A 20 20 LYS N N 20 123.545 123.517 0.028 1
1 166 . 10 1 1 A 21 21 THR H H 21 8.868 8.754 0.114 1
1 167 . 10 1 1 A 21 21 THR HA H 21 4.448 4.773 -0.325 1
1 172 . 10 1 1 A 21 21 THR C C 21 175.491 176.115 -0.624 1
1 173 . 10 1 1 A 21 21 THR CA C 21 60.686 60.420 0.266 1
1 174 . 10 1 1 A 21 21 THR CB C 21 70.760 71.012 -0.252 1
1 176 . 10 1 1 A 21 21 THR N N 21 113.437 113.763 -0.326 1
1 177 . 10 1 1 A 22 22 GLN H H 22 8.993 9.012 -0.019 1
1 178 . 10 1 1 A 22 22 GLN HA H 22 4.055 3.976 0.079 1
1 183 . 10 1 1 A 22 22 GLN C C 22 178.882 178.389 0.493 1
1 184 . 10 1 1 A 22 22 GLN CA C 22 58.899 58.633 0.266 1
1 185 . 10 1 1 A 22 22 GLN CB C 22 28.366 28.364 0.002 1
1 187 . 10 1 1 A 22 22 GLN N N 22 120.458 121.814 -1.356 1
1 188 . 10 1 1 A 23 23 GLY H H 23 8.580 8.369 0.211 1
1 189 . 10 1 1 A 23 23 GLY HA2 H 23 3.843 3.716 0.127 1
1 190 . 10 1 1 A 23 23 GLY HA3 H 23 3.843 3.717 0.126 1
1 191 . 10 1 1 A 23 23 GLY C C 23 176.518 176.408 0.110 1
1 192 . 10 1 1 A 23 23 GLY CA C 23 46.750 47.116 -0.366 1
1 193 . 10 1 1 A 23 23 GLY N N 23 107.047 109.269 -2.222 1
1 194 . 10 1 1 A 24 24 GLN H H 24 7.771 8.052 -0.281 1
1 195 . 10 1 1 A 24 24 GLN HA H 24 3.844 4.104 -0.260 1
1 202 . 10 1 1 A 24 24 GLN C C 24 177.564 178.356 -0.792 1
1 203 . 10 1 1 A 24 24 GLN CA C 24 59.397 58.701 0.696 1
1 204 . 10 1 1 A 24 24 GLN CB C 24 29.250 28.745 0.505 1
1 206 . 10 1 1 A 24 24 GLN N N 24 120.555 121.295 -0.740 1
1 208 . 10 1 1 A 25 25 VAL H H 25 8.029 8.156 -0.127 1
1 209 . 10 1 1 A 25 25 VAL HA H 25 3.163 3.303 -0.140 1
1 217 . 10 1 1 A 25 25 VAL C C 25 176.630 178.134 -1.504 1
1 218 . 10 1 1 A 25 25 VAL CA C 25 66.856 66.849 0.007 1
1 219 . 10 1 1 A 25 25 VAL CB C 25 31.543 31.377 0.166 1
1 222 . 10 1 1 A 25 25 VAL N N 25 117.187 120.746 -3.559 1
1 223 . 10 1 1 A 26 26 LYS H H 26 7.924 8.461 -0.537 1
1 224 . 10 1 1 A 26 26 LYS HA H 26 3.995 4.050 -0.055 1
1 230 . 10 1 1 A 26 26 LYS C C 26 178.199 179.009 -0.810 1
1 231 . 10 1 1 A 26 26 LYS CA C 26 59.506 58.856 0.650 1
1 232 . 10 1 1 A 26 26 LYS CB C 26 32.209 32.412 -0.203 1
1 236 . 10 1 1 A 26 26 LYS N N 26 119.341 119.608 -0.267 1
1 237 . 10 1 1 A 27 27 ILE H H 27 7.033 7.974 -0.941 1
1 238 . 10 1 1 A 27 27 ILE HA H 27 3.706 3.640 0.066 1
1 248 . 10 1 1 A 27 27 ILE C C 27 179.280 178.616 0.664 1
1 249 . 10 1 1 A 27 27 ILE CA C 27 64.803 65.200 -0.397 1
1 250 . 10 1 1 A 27 27 ILE CB C 27 38.361 37.471 0.890 1
1 254 . 10 1 1 A 27 27 ILE N N 27 117.901 121.126 -3.225 1
1 255 . 10 1 1 A 28 28 LEU H H 28 7.400 7.610 -0.210 1
1 256 . 10 1 1 A 28 28 LEU HA H 28 3.563 3.908 -0.345 1
1 266 . 10 1 1 A 28 28 LEU C C 28 177.369 178.473 -1.104 1
1 267 . 10 1 1 A 28 28 LEU CA C 28 58.256 58.098 0.158 1
1 268 . 10 1 1 A 28 28 LEU CB C 28 37.957 40.994 -3.037 1
1 272 . 10 1 1 A 28 28 LEU N N 28 121.290 120.314 0.976 1
1 273 . 10 1 1 A 29 29 GLU H H 29 8.880 8.562 0.318 1
1 274 . 10 1 1 A 29 29 GLU HA H 29 4.327 4.160 0.167 1
1 278 . 10 1 1 A 29 29 GLU C C 29 179.216 178.996 0.220 1
1 279 . 10 1 1 A 29 29 GLU CA C 29 59.430 59.910 -0.480 1
1 280 . 10 1 1 A 29 29 GLU CB C 29 29.276 29.452 -0.176 1
1 282 . 10 1 1 A 29 29 GLU N N 29 120.487 116.868 3.619 1
1 283 . 10 1 1 A 30 30 ASP H H 30 8.313 8.268 0.045 1
1 284 . 10 1 1 A 30 30 ASP HA H 30 4.422 4.383 0.039 1
1 287 . 10 1 1 A 30 30 ASP C C 30 179.036 178.805 0.231 1
1 288 . 10 1 1 A 30 30 ASP CA C 30 57.388 57.761 -0.373 1
1 289 . 10 1 1 A 30 30 ASP CB C 30 40.547 41.623 -1.076 1
1 290 . 10 1 1 A 30 30 ASP N N 30 118.471 119.901 -1.430 1
1 291 . 10 1 1 A 31 31 SER H H 31 7.406 8.257 -0.851 1
1 292 . 10 1 1 A 31 31 SER HA H 31 4.290 4.344 -0.054 1
1 295 . 10 1 1 A 31 31 SER C C 31 177.290 176.293 0.997 1
1 296 . 10 1 1 A 31 31 SER CA C 31 61.575 62.186 -0.611 1
1 297 . 10 1 1 A 31 31 SER CB C 31 63.167 63.729 -0.562 1
1 298 . 10 1 1 A 31 31 SER N N 31 113.187 116.357 -3.170 1
1 299 . 10 1 1 A 32 32 PHE H H 32 9.117 8.146 0.971 1
1 300 . 10 1 1 A 32 32 PHE HA H 32 4.369 4.514 -0.145 1
1 308 . 10 1 1 A 32 32 PHE C C 32 176.545 177.338 -0.793 1
1 309 . 10 1 1 A 32 32 PHE CA C 32 61.569 61.426 0.143 1
1 310 . 10 1 1 A 32 32 PHE CB C 32 39.362 39.025 0.337 1
1 316 . 10 1 1 A 32 32 PHE N N 32 121.840 122.836 -0.996 1
1 317 . 10 1 1 A 33 33 LEU H H 33 8.235 8.967 -0.732 1
1 318 . 10 1 1 A 33 33 LEU HA H 33 3.965 3.836 0.129 1
1 328 . 10 1 1 A 33 33 LEU C C 33 179.575 179.700 -0.125 1
1 329 . 10 1 1 A 33 33 LEU CA C 33 56.998 58.106 -1.108 1
1 330 . 10 1 1 A 33 33 LEU CB C 33 42.053 41.783 0.270 1
1 334 . 10 1 1 A 33 33 LEU N N 33 115.363 120.049 -4.686 1
1 335 . 10 1 1 A 34 34 LYS H H 34 7.509 7.984 -0.475 1
1 336 . 10 1 1 A 34 34 LYS HA H 34 4.174 4.232 -0.058 1
1 343 . 10 1 1 A 34 34 LYS C C 34 178.190 176.773 1.417 1
1 344 . 10 1 1 A 34 34 LYS CA C 34 58.819 58.398 0.421 1
1 345 . 10 1 1 A 34 34 LYS CB C 34 32.352 32.628 -0.276 1
1 349 . 10 1 1 A 34 34 LYS N N 34 119.688 117.636 2.052 1
1 350 . 10 1 1 A 35 35 SER H H 35 8.130 8.161 -0.031 1
1 351 . 10 1 1 A 35 35 SER HA H 35 4.379 4.795 -0.416 1
1 354 . 10 1 1 A 35 35 SER C C 35 174.000 173.839 0.161 1
1 355 . 10 1 1 A 35 35 SER CA C 35 58.202 57.681 0.521 1
1 356 . 10 1 1 A 35 35 SER CB C 35 64.375 64.844 -0.469 1
1 357 . 10 1 1 A 35 35 SER N N 35 112.275 115.513 -3.238 1
1 358 . 10 1 1 A 36 36 SER H H 36 8.404 8.755 -0.351 1
1 359 . 10 1 1 A 36 36 SER HA H 36 3.952 3.654 0.298 1
1 362 . 10 1 1 A 36 36 SER C C 36 172.467 175.018 -2.551 1
1 363 . 10 1 1 A 36 36 SER CA C 36 59.127 61.928 -2.801 1
1 364 . 10 1 1 A 36 36 SER CB C 36 63.788 63.029 0.759 1
1 365 . 10 1 1 A 36 36 SER N N 36 121.307 121.566 -0.259 1
1 366 . 10 1 1 A 37 37 PHE H H 37 7.735 8.124 -0.389 1
1 367 . 10 1 1 A 37 37 PHE HA H 37 4.859 5.142 -0.283 1
1 375 . 10 1 1 A 37 37 PHE C C 37 172.549 173.630 -1.081 1
1 376 . 10 1 1 A 37 37 PHE CA C 37 55.604 54.937 0.667 1
1 377 . 10 1 1 A 37 37 PHE CB C 37 39.842 39.525 0.317 1
1 383 . 10 1 1 A 37 37 PHE N N 37 118.373 120.077 -1.704 1
1 384 . 10 1 1 A 38 38 PRO HA H 38 4.391 4.677 -0.286 1
1 391 . 10 1 1 A 38 38 PRO C C 38 177.660 175.804 1.856 1
1 392 . 10 1 1 A 38 38 PRO CA C 38 62.193 62.453 -0.260 1
1 393 . 10 1 1 A 38 38 PRO CB C 38 31.490 32.769 -1.279 1
1 396 . 10 1 1 A 39 39 THR H H 39 7.809 8.389 -0.580 1
1 397 . 10 1 1 A 39 39 THR HA H 39 4.322 4.747 -0.425 1
1 402 . 10 1 1 A 39 39 THR C C 39 174.966 175.434 -0.468 1
1 403 . 10 1 1 A 39 39 THR CA C 39 60.648 59.882 0.766 1
1 404 . 10 1 1 A 39 39 THR CB C 39 71.192 70.968 0.224 1
1 406 . 10 1 1 A 39 39 THR N N 39 111.373 116.326 -4.953 1
1 407 . 10 1 1 A 40 40 GLN H H 40 8.880 9.085 -0.205 1
1 408 . 10 1 1 A 40 40 GLN HA H 40 3.907 3.961 -0.054 1
1 414 . 10 1 1 A 40 40 GLN C C 40 177.855 177.724 0.131 1
1 415 . 10 1 1 A 40 40 GLN CA C 40 59.243 59.679 -0.436 1
1 416 . 10 1 1 A 40 40 GLN CB C 40 28.107 28.605 -0.498 1
1 418 . 10 1 1 A 40 40 GLN N N 40 120.143 126.381 -6.238 1
1 420 . 10 1 1 A 41 41 ALA H H 41 8.286 8.008 0.278 1
1 421 . 10 1 1 A 41 41 ALA HA H 41 4.212 4.072 0.140 1
1 425 . 10 1 1 A 41 41 ALA C C 41 180.741 179.232 1.509 1
1 426 . 10 1 1 A 41 41 ALA CA C 41 55.009 54.906 0.103 1
1 427 . 10 1 1 A 41 41 ALA CB C 41 18.111 18.358 -0.247 1
1 428 . 10 1 1 A 41 41 ALA N N 41 119.773 122.106 -2.333 1
1 429 . 10 1 1 A 42 42 GLU H H 42 7.772 8.422 -0.650 1
1 430 . 10 1 1 A 42 42 GLU HA H 42 4.673 3.989 0.684 1
1 435 . 10 1 1 A 42 42 GLU C C 42 178.478 178.636 -0.158 1
1 436 . 10 1 1 A 42 42 GLU CA C 42 57.730 59.707 -1.977 1
1 437 . 10 1 1 A 42 42 GLU CB C 42 28.610 29.538 -0.928 1
1 439 . 10 1 1 A 42 42 GLU N N 42 122.141 118.441 3.700 1
1 440 . 10 1 1 A 43 43 LEU H H 43 8.472 8.116 0.356 1
1 441 . 10 1 1 A 43 43 LEU HA H 43 3.924 3.826 0.098 1
1 451 . 10 1 1 A 43 43 LEU C C 43 179.842 178.432 1.410 1
1 452 . 10 1 1 A 43 43 LEU CA C 43 58.828 57.666 1.162 1
1 453 . 10 1 1 A 43 43 LEU CB C 43 41.540 41.562 -0.022 1
1 457 . 10 1 1 A 43 43 LEU N N 43 121.542 120.617 0.925 1
1 458 . 10 1 1 A 44 44 ASP H H 44 8.384 8.538 -0.154 1
1 459 . 10 1 1 A 44 44 ASP HA H 44 4.447 4.241 0.206 1
1 462 . 10 1 1 A 44 44 ASP C C 44 178.428 178.864 -0.436 1
1 463 . 10 1 1 A 44 44 ASP CA C 44 57.812 57.593 0.219 1
1 464 . 10 1 1 A 44 44 ASP CB C 44 40.226 40.542 -0.316 1
1 465 . 10 1 1 A 44 44 ASP N N 44 119.756 118.282 1.474 1
1 466 . 10 1 1 A 45 45 ARG H H 45 7.979 7.861 0.118 1
1 467 . 10 1 1 A 45 45 ARG HA H 45 4.058 4.127 -0.069 1
1 475 . 10 1 1 A 45 45 ARG C C 45 179.249 178.445 0.804 1
1 476 . 10 1 1 A 45 45 ARG CA C 45 59.629 58.451 1.178 1
1 477 . 10 1 1 A 45 45 ARG CB C 45 30.553 29.778 0.775 1
1 480 . 10 1 1 A 45 45 ARG N N 45 123.029 119.932 3.097 1
1 482 . 10 1 1 A 46 46 LEU H H 46 8.943 8.364 0.579 1
1 483 . 10 1 1 A 46 46 LEU HA H 46 3.922 4.157 -0.235 1
1 493 . 10 1 1 A 46 46 LEU C C 46 180.973 179.098 1.875 1
1 494 . 10 1 1 A 46 46 LEU CA C 46 57.885 57.764 0.121 1
1 495 . 10 1 1 A 46 46 LEU CB C 46 42.943 41.261 1.682 1
1 499 . 10 1 1 A 46 46 LEU N N 46 118.282 119.619 -1.337 1
1 500 . 10 1 1 A 47 47 ARG H H 47 8.421 8.543 -0.122 1
1 501 . 10 1 1 A 47 47 ARG HA H 47 4.050 3.925 0.125 1
1 508 . 10 1 1 A 47 47 ARG C C 47 178.760 178.376 0.384 1
1 509 . 10 1 1 A 47 47 ARG CA C 47 60.366 59.286 1.080 1
1 510 . 10 1 1 A 47 47 ARG CB C 47 29.957 30.002 -0.045 1
1 513 . 10 1 1 A 47 47 ARG N N 47 125.416 117.420 7.996 1
1 514 . 10 1 1 A 48 48 VAL H H 48 7.626 7.630 -0.004 1
1 515 . 10 1 1 A 48 48 VAL HA H 48 3.700 3.738 -0.038 1
1 523 . 10 1 1 A 48 48 VAL C C 48 178.628 177.663 0.965 1
1 524 . 10 1 1 A 48 48 VAL CA C 48 66.325 64.958 1.367 1
1 525 . 10 1 1 A 48 48 VAL CB C 48 31.902 31.256 0.646 1
1 528 . 10 1 1 A 48 48 VAL N N 48 119.769 119.668 0.101 1
1 529 . 10 1 1 A 49 49 GLU H H 49 8.419 8.507 -0.088 1
1 530 . 10 1 1 A 49 49 GLU HA H 49 4.202 4.006 0.196 1
1 534 . 10 1 1 A 49 49 GLU C C 49 178.866 178.717 0.149 1
1 535 . 10 1 1 A 49 49 GLU CA C 49 59.062 59.269 -0.207 1
1 536 . 10 1 1 A 49 49 GLU CB C 49 30.950 29.463 1.487 1
1 538 . 10 1 1 A 49 49 GLU N N 49 116.074 121.344 -5.270 1
1 539 . 10 1 1 A 50 50 THR H H 50 8.436 8.230 0.206 1
1 540 . 10 1 1 A 50 50 THR HA H 50 4.335 4.235 0.100 1
1 545 . 10 1 1 A 50 50 THR C C 50 175.412 174.285 1.127 1
1 546 . 10 1 1 A 50 50 THR CA C 50 63.447 62.448 0.999 1
1 547 . 10 1 1 A 50 50 THR CB C 50 71.702 69.497 2.205 1
1 549 . 10 1 1 A 50 50 THR N N 50 105.198 110.455 -5.257 1
1 550 . 10 1 1 A 51 51 LYS H H 51 7.745 7.932 -0.187 1
1 551 . 10 1 1 A 51 51 LYS HA H 51 4.032 3.751 0.281 1
1 559 . 10 1 1 A 51 51 LYS C C 51 175.949 174.665 1.284 1
1 560 . 10 1 1 A 51 51 LYS CA C 51 58.428 57.307 1.121 1
1 561 . 10 1 1 A 51 51 LYS CB C 51 29.225 29.216 0.009 1
1 565 . 10 1 1 A 51 51 LYS N N 51 114.904 116.804 -1.900 1
1 566 . 10 1 1 A 52 52 LEU H H 52 7.679 7.800 -0.121 1
1 567 . 10 1 1 A 52 52 LEU HA H 52 4.519 4.919 -0.400 1
1 577 . 10 1 1 A 52 52 LEU C C 52 176.301 175.876 0.425 1
1 578 . 10 1 1 A 52 52 LEU CA C 52 53.820 53.121 0.699 1
1 579 . 10 1 1 A 52 52 LEU CB C 52 43.987 45.133 -1.146 1
1 583 . 10 1 1 A 52 52 LEU N N 52 120.156 118.805 1.351 1
1 584 . 10 1 1 A 53 53 SER H H 53 8.599 8.712 -0.113 1
1 585 . 10 1 1 A 53 53 SER HA H 53 4.454 4.717 -0.263 1
1 588 . 10 1 1 A 53 53 SER C C 53 175.265 175.402 -0.137 1
1 589 . 10 1 1 A 53 53 SER CA C 53 57.586 57.006 0.580 1
1 590 . 10 1 1 A 53 53 SER CB C 53 65.402 65.327 0.075 1
1 591 . 10 1 1 A 53 53 SER N N 53 114.483 117.500 -3.017 1
1 592 . 10 1 1 A 54 54 ARG H H 54 9.030 8.859 0.171 1
1 593 . 10 1 1 A 54 54 ARG HA H 54 3.925 3.905 0.020 1
1 599 . 10 1 1 A 54 54 ARG C C 54 178.621 178.838 -0.217 1
1 600 . 10 1 1 A 54 54 ARG CA C 54 59.660 60.090 -0.430 1
1 601 . 10 1 1 A 54 54 ARG CB C 54 29.594 30.185 -0.591 1
1 604 . 10 1 1 A 54 54 ARG N N 54 121.039 124.164 -3.125 1
1 605 . 10 1 1 A 55 55 ARG H H 55 8.472 7.864 0.608 1
1 606 . 10 1 1 A 55 55 ARG HA H 55 4.253 4.018 0.235 1
1 611 . 10 1 1 A 55 55 ARG C C 55 179.367 178.522 0.845 1
1 612 . 10 1 1 A 55 55 ARG CA C 55 59.387 59.582 -0.195 1
1 613 . 10 1 1 A 55 55 ARG CB C 55 30.068 29.934 0.134 1
1 616 . 10 1 1 A 55 55 ARG N N 55 117.655 119.528 -1.873 1
1 617 . 10 1 1 A 56 56 GLU H H 56 7.849 8.213 -0.364 1
1 618 . 10 1 1 A 56 56 GLU HA H 56 3.909 4.031 -0.122 1
1 622 . 10 1 1 A 56 56 GLU C C 56 179.885 179.548 0.337 1
1 623 . 10 1 1 A 56 56 GLU CA C 56 59.421 59.215 0.206 1
1 624 . 10 1 1 A 56 56 GLU CB C 56 30.907 29.125 1.782 1
1 626 . 10 1 1 A 56 56 GLU N N 56 119.916 117.848 2.068 1
1 627 . 10 1 1 A 57 57 ILE H H 57 8.254 7.926 0.328 1
1 628 . 10 1 1 A 57 57 ILE HA H 57 3.732 3.679 0.053 1
1 638 . 10 1 1 A 57 57 ILE C C 57 177.586 177.746 -0.160 1
1 639 . 10 1 1 A 57 57 ILE CA C 57 66.553 65.602 0.951 1
1 640 . 10 1 1 A 57 57 ILE CB C 57 38.596 37.920 0.676 1
1 644 . 10 1 1 A 57 57 ILE N N 57 122.354 121.179 1.175 1
1 645 . 10 1 1 A 58 58 ASP H H 58 8.899 8.512 0.387 1
1 646 . 10 1 1 A 58 58 ASP HA H 58 4.621 4.318 0.303 1
1 649 . 10 1 1 A 58 58 ASP C C 58 180.161 178.149 2.012 1
1 650 . 10 1 1 A 58 58 ASP CA C 58 58.114 57.412 0.702 1
1 651 . 10 1 1 A 58 58 ASP CB C 58 40.817 40.865 -0.048 1
1 652 . 10 1 1 A 58 58 ASP N N 58 121.029 121.345 -0.316 1
1 653 . 10 1 1 A 59 59 SER H H 59 8.321 7.959 0.362 1
1 654 . 10 1 1 A 59 59 SER HA H 59 4.371 4.175 0.196 1
1 656 . 10 1 1 A 59 59 SER C C 59 176.017 176.942 -0.925 1
1 657 . 10 1 1 A 59 59 SER CA C 59 61.870 61.424 0.446 1
1 658 . 10 1 1 A 59 59 SER CB C 59 63.076 63.167 -0.091 1
1 659 . 10 1 1 A 59 59 SER N N 59 114.708 113.280 1.428 1
1 660 . 10 1 1 A 60 60 TRP H H 60 8.209 7.774 0.435 1
1 661 . 10 1 1 A 60 60 TRP HA H 60 4.019 4.297 -0.278 1
1 670 . 10 1 1 A 60 60 TRP C C 60 179.214 178.410 0.804 1
1 671 . 10 1 1 A 60 60 TRP CA C 60 62.981 61.313 1.668 1
1 672 . 10 1 1 A 60 60 TRP CB C 60 28.693 30.416 -1.723 1
1 678 . 10 1 1 A 60 60 TRP N N 60 123.289 123.770 -0.481 1
1 680 . 10 1 1 A 61 61 PHE H H 61 8.941 8.596 0.345 1
1 681 . 10 1 1 A 61 61 PHE HA H 61 3.798 3.987 -0.189 1
1 689 . 10 1 1 A 61 61 PHE C C 61 178.097 177.858 0.239 1
1 690 . 10 1 1 A 61 61 PHE CA C 61 63.866 61.255 2.611 1
1 691 . 10 1 1 A 61 61 PHE CB C 61 39.642 38.980 0.662 1
1 697 . 10 1 1 A 61 61 PHE N N 61 118.838 118.182 0.656 1
1 698 . 10 1 1 A 62 62 SER H H 62 8.179 8.608 -0.429 1
1 699 . 10 1 1 A 62 62 SER HA H 62 4.134 4.057 0.077 1
1 702 . 10 1 1 A 62 62 SER C C 62 177.996 176.783 1.213 1
1 703 . 10 1 1 A 62 62 SER CA C 62 62.064 62.419 -0.355 1
1 704 . 10 1 1 A 62 62 SER CB C 62 62.890 62.678 0.212 1
1 705 . 10 1 1 A 62 62 SER N N 62 113.145 115.326 -2.181 1
1 706 . 10 1 1 A 63 63 GLU H H 63 8.027 8.283 -0.256 1
1 707 . 10 1 1 A 63 63 GLU HA H 63 3.910 3.914 -0.004 1
1 711 . 10 1 1 A 63 63 GLU C C 63 178.729 178.775 -0.046 1
1 712 . 10 1 1 A 63 63 GLU CA C 63 58.637 59.353 -0.716 1
1 713 . 10 1 1 A 63 63 GLU CB C 63 29.188 29.341 -0.153 1
1 715 . 10 1 1 A 63 63 GLU N N 63 120.533 121.555 -1.022 1
1 716 . 10 1 1 A 64 64 ARG H H 64 8.166 7.764 0.402 1
1 717 . 10 1 1 A 64 64 ARG HA H 64 3.498 3.551 -0.053 1
1 725 . 10 1 1 A 64 64 ARG C C 64 179.466 178.362 1.104 1
1 726 . 10 1 1 A 64 64 ARG CA C 64 56.502 58.949 -2.447 1
1 727 . 10 1 1 A 64 64 ARG CB C 64 28.148 29.102 -0.954 1
1 730 . 10 1 1 A 64 64 ARG N N 64 122.505 120.113 2.392 1
1 732 . 10 1 1 A 65 65 ARG H H 65 8.002 8.145 -0.143 1
1 733 . 10 1 1 A 65 65 ARG HA H 65 4.086 4.191 -0.105 1
1 740 . 10 1 1 A 65 65 ARG C C 65 177.832 178.954 -1.122 1
1 741 . 10 1 1 A 65 65 ARG CA C 65 60.054 60.007 0.047 1
1 742 . 10 1 1 A 65 65 ARG CB C 65 31.425 30.003 1.422 1
1 745 . 10 1 1 A 65 65 ARG N N 65 117.887 117.889 -0.002 1
1 746 . 10 1 1 A 66 66 LYS H H 66 7.356 7.717 -0.361 1
1 747 . 10 1 1 A 66 66 LYS HA H 66 4.141 4.069 0.072 1
1 753 . 10 1 1 A 66 66 LYS C C 66 178.353 178.945 -0.592 1
1 754 . 10 1 1 A 66 66 LYS CA C 66 58.444 59.185 -0.741 1
1 755 . 10 1 1 A 66 66 LYS CB C 66 32.288 32.311 -0.023 1
1 759 . 10 1 1 A 66 66 LYS N N 66 118.479 119.652 -1.173 1
1 760 . 10 1 1 A 67 67 LEU H H 67 7.604 8.009 -0.405 1
1 761 . 10 1 1 A 67 67 LEU HA H 67 4.143 3.916 0.227 1
1 771 . 10 1 1 A 67 67 LEU C C 67 178.510 178.836 -0.326 1
1 772 . 10 1 1 A 67 67 LEU CA C 67 56.712 57.676 -0.964 1
1 773 . 10 1 1 A 67 67 LEU CB C 67 41.857 41.694 0.163 1
1 777 . 10 1 1 A 67 67 LEU N N 67 120.424 120.022 0.402 1
1 778 . 10 1 1 A 68 68 ARG H H 68 7.914 8.148 -0.234 1
1 779 . 10 1 1 A 68 68 ARG HA H 68 4.262 3.885 0.377 1
1 786 . 10 1 1 A 68 68 ARG C C 68 177.396 178.757 -1.361 1
1 787 . 10 1 1 A 68 68 ARG CA C 68 57.589 59.879 -2.290 1
1 788 . 10 1 1 A 68 68 ARG CB C 68 30.211 30.172 0.039 1
1 791 . 10 1 1 A 68 68 ARG N N 68 120.638 119.059 1.579 1
1 792 . 10 1 1 A 69 69 ASP H H 69 8.337 8.253 0.084 1
1 793 . 10 1 1 A 69 69 ASP HA H 69 4.592 4.415 0.177 1
1 796 . 10 1 1 A 69 69 ASP C C 69 176.826 177.265 -0.439 1
1 797 . 10 1 1 A 69 69 ASP CA C 69 55.527 57.338 -1.811 1
1 798 . 10 1 1 A 69 69 ASP CB C 69 40.833 40.674 0.159 1
1 799 . 10 1 1 A 69 69 ASP N N 69 119.845 119.114 0.731 1
1 800 . 10 1 1 A 70 70 SER H H 70 8.002 8.170 -0.168 1
1 801 . 10 1 1 A 70 70 SER HA H 70 4.473 4.316 0.157 1
1 804 . 10 1 1 A 70 70 SER C C 70 174.524 175.261 -0.737 1
1 805 . 10 1 1 A 70 70 SER CA C 70 59.070 58.521 0.549 1
1 806 . 10 1 1 A 70 70 SER CB C 70 63.887 63.886 0.001 1
1 807 . 10 1 1 A 70 70 SER N N 70 114.740 113.839 0.901 1
1 808 . 10 1 1 A 71 71 MET H H 71 8.117 9.019 -0.902 1
1 809 . 10 1 1 A 71 71 MET HA H 71 4.559 4.155 0.404 1
1 817 . 10 1 1 A 71 71 MET C C 71 175.392 176.226 -0.834 1
1 818 . 10 1 1 A 71 71 MET CA C 71 55.711 56.501 -0.790 1
1 819 . 10 1 1 A 71 71 MET CB C 71 33.246 30.911 2.335 1
1 822 . 10 1 1 A 71 71 MET N N 71 121.694 121.689 0.005 1
1 823 . 10 1 1 A 72 72 GLU HA H 72 4.245 3.982 0.263 1
1 827 . 10 1 1 A 72 72 GLU C C 72 177.767 177.375 0.392 1
1 828 . 10 1 1 A 72 72 GLU CA C 72 57.871 60.115 -2.244 1
1 829 . 10 1 1 A 72 72 GLU CB C 72 29.798 29.191 0.607 1
1 831 . 10 1 1 A 73 73 GLN H H 73 8.210 7.733 0.477 1
1 832 . 10 1 1 A 73 73 GLN HA H 73 4.177 4.334 -0.157 1
1 836 . 10 1 1 A 73 73 GLN C C 73 176.422 175.118 1.304 1
1 837 . 10 1 1 A 73 73 GLN CA C 73 56.899 56.144 0.755 1
1 838 . 10 1 1 A 73 73 GLN CB C 73 28.852 29.644 -0.792 1
1 840 . 10 1 1 A 73 73 GLN N N 73 120.076 119.546 0.530 1
1 841 . 10 1 1 A 74 74 ALA H H 74 8.099 8.560 -0.461 1
1 842 . 10 1 1 A 74 74 ALA HA H 74 4.239 5.360 -1.121 1
1 846 . 10 1 1 A 74 74 ALA C C 74 178.960 175.885 3.075 1
1 847 . 10 1 1 A 74 74 ALA CA C 74 53.837 49.940 3.897 1
1 848 . 10 1 1 A 74 74 ALA CB C 74 18.794 22.731 -3.937 1
1 849 . 10 1 1 A 74 74 ALA N N 74 123.168 126.857 -3.689 1
1 850 . 10 1 1 A 75 75 VAL H H 75 7.886 8.684 -0.798 1
1 851 . 10 1 1 A 75 75 VAL HA H 75 3.985 4.453 -0.468 1
1 859 . 10 1 1 A 75 75 VAL C C 75 177.376 175.766 1.610 1
1 860 . 10 1 1 A 75 75 VAL CA C 75 63.895 61.202 2.693 1
1 861 . 10 1 1 A 75 75 VAL CB C 75 32.450 33.854 -1.404 1
1 864 . 10 1 1 A 75 75 VAL N N 75 119.018 120.053 -1.035 1
1 865 . 10 1 1 A 76 76 LEU H H 76 8.074 8.588 -0.514 1
1 866 . 10 1 1 A 76 76 LEU HA H 76 4.291 4.472 -0.181 1
1 876 . 10 1 1 A 76 76 LEU C C 76 178.363 176.039 2.324 1
1 877 . 10 1 1 A 76 76 LEU CA C 76 56.247 54.619 1.628 1
1 878 . 10 1 1 A 76 76 LEU CB C 76 42.342 42.149 0.193 1
1 882 . 10 1 1 A 76 76 LEU N N 76 124.324 127.609 -3.285 1
1 883 . 10 1 1 A 77 77 ASP H H 77 8.443 8.934 -0.491 1
1 884 . 10 1 1 A 77 77 ASP HA H 77 4.593 5.397 -0.804 1
1 887 . 10 1 1 A 77 77 ASP C C 77 177.224 174.266 2.958 1
1 888 . 10 1 1 A 77 77 ASP CA C 77 55.364 52.140 3.224 1
1 889 . 10 1 1 A 77 77 ASP CB C 77 40.970 44.072 -3.102 1
1 890 . 10 1 1 A 77 77 ASP N N 77 120.595 123.461 -2.866 1
1 891 . 10 1 1 A 78 78 SER H H 78 8.121 8.899 -0.778 1
1 892 . 10 1 1 A 78 78 SER HA H 78 4.421 4.701 -0.280 1
1 894 . 10 1 1 A 78 78 SER C C 78 175.244 173.721 1.523 1
1 895 . 10 1 1 A 78 78 SER CA C 78 58.809 58.346 0.463 1
1 896 . 10 1 1 A 78 78 SER CB C 78 63.674 64.186 -0.512 1
1 897 . 10 1 1 A 78 78 SER N N 78 115.700 118.772 -3.072 1
1 898 . 10 1 1 A 79 79 MET H H 79 8.202 8.697 -0.495 1
1 899 . 10 1 1 A 79 79 MET HA H 79 4.525 5.200 -0.675 1
1 903 . 10 1 1 A 79 79 MET C C 79 177.199 175.246 1.953 1
1 904 . 10 1 1 A 79 79 MET CA C 79 56.010 54.131 1.879 1
1 905 . 10 1 1 A 79 79 MET CB C 79 32.610 35.218 -2.608 1
1 907 . 10 1 1 A 79 79 MET N N 79 121.204 124.577 -3.373 1
1 908 . 10 1 1 A 80 80 GLY H H 80 8.268 9.207 -0.939 1
1 909 . 10 1 1 A 80 80 GLY C C 80 174.529 173.271 1.258 1
1 910 . 10 1 1 A 80 80 GLY CA C 80 45.637 44.981 0.656 1
1 911 . 10 1 1 A 80 80 GLY N N 80 109.108 114.171 -5.063 1
1 912 . 10 1 1 A 81 81 SER HA H 81 4.478 4.697 -0.219 1
1 915 . 10 1 1 A 81 81 SER C C 81 175.336 175.121 0.215 1
1 916 . 10 1 1 A 81 81 SER CA C 81 58.701 57.423 1.278 1
1 917 . 10 1 1 A 81 81 SER CB C 81 63.977 64.174 -0.197 1
1 918 . 10 1 1 A 82 82 GLY H H 82 8.526 8.650 -0.124 1
1 919 . 10 1 1 A 82 82 GLY HA2 H 82 4.018 3.971 0.047 1
1 920 . 10 1 1 A 82 82 GLY HA3 H 82 4.018 3.971 0.047 1
1 921 . 10 1 1 A 82 82 GLY C C 82 174.290 175.361 -1.071 1
1 922 . 10 1 1 A 82 82 GLY CA C 82 45.485 46.768 -1.283 1
1 923 . 10 1 1 A 82 82 GLY N N 82 110.928 109.195 1.733 1
1 924 . 10 1 1 A 83 83 LYS H H 83 8.159 8.137 0.022 1
1 925 . 10 1 1 A 83 83 LYS C C 83 176.692 176.809 -0.117 1
1 926 . 10 1 1 A 83 83 LYS CA C 83 56.216 57.292 -1.076 1
1 927 . 10 1 1 A 83 83 LYS CB C 83 33.201 31.525 1.676 1
1 928 . 10 1 1 A 83 83 LYS N N 83 120.759 120.741 0.018 1
1 929 . 10 1 1 A 88 88 SER HA H 88 4.509 4.395 0.114 1
1 932 . 10 1 1 A 88 88 SER C C 88 173.946 176.784 -2.838 1
1 933 . 10 1 1 A 88 88 SER CA C 88 58.432 62.649 -4.217 1
1 934 . 10 1 1 A 88 88 SER CB C 88 64.208 63.204 1.004 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.940 4.128 -0.188 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.940 4.148 -0.208 1
1 3 . 11 1 1 A 7 7 GLY C C 7 173.532 172.865 0.667 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.255 44.857 0.398 1
1 5 . 11 1 1 A 8 8 ALA H H 8 8.010 8.368 -0.358 1
1 6 . 11 1 1 A 8 8 ALA HA H 8 4.259 4.665 -0.406 1
1 10 . 11 1 1 A 8 8 ALA C C 8 176.987 177.026 -0.039 1
1 11 . 11 1 1 A 8 8 ALA CA C 8 52.334 52.277 0.057 1
1 12 . 11 1 1 A 8 8 ALA CB C 8 19.389 20.275 -0.886 1
1 13 . 11 1 1 A 8 8 ALA N N 8 123.317 124.306 -0.989 1
1 14 . 11 1 1 A 9 9 TYR H H 9 8.110 8.700 -0.590 1
1 15 . 11 1 1 A 9 9 TYR HA H 9 4.832 5.116 -0.284 1
1 22 . 11 1 1 A 9 9 TYR C C 9 174.112 172.514 1.598 1
1 23 . 11 1 1 A 9 9 TYR CA C 9 55.642 55.402 0.240 1
1 24 . 11 1 1 A 9 9 TYR CB C 9 38.292 39.027 -0.735 1
1 29 . 11 1 1 A 9 9 TYR N N 9 120.065 115.632 4.433 1
1 30 . 11 1 1 A 10 10 PRO HA H 10 4.377 4.534 -0.157 1
1 36 . 11 1 1 A 10 10 PRO C C 10 176.388 175.779 0.609 1
1 37 . 11 1 1 A 10 10 PRO CA C 10 63.332 62.772 0.560 1
1 38 . 11 1 1 A 10 10 PRO CB C 10 31.985 32.873 -0.888 1
1 41 . 11 1 1 A 11 11 ASP H H 11 8.249 8.310 -0.061 1
1 42 . 11 1 1 A 11 11 ASP HA H 11 4.537 5.397 -0.860 1
1 45 . 11 1 1 A 11 11 ASP C C 11 175.893 176.052 -0.159 1
1 46 . 11 1 1 A 11 11 ASP CA C 11 54.410 52.660 1.750 1
1 47 . 11 1 1 A 11 11 ASP CB C 11 41.149 44.611 -3.462 1
1 48 . 11 1 1 A 11 11 ASP N N 11 119.884 119.031 0.853 1
1 49 . 11 1 1 A 12 12 PHE H H 12 8.028 9.223 -1.195 1
1 50 . 11 1 1 A 12 12 PHE HA H 12 4.616 4.370 0.246 1
1 55 . 11 1 1 A 12 12 PHE C C 12 175.001 176.732 -1.731 1
1 56 . 11 1 1 A 12 12 PHE CA C 12 57.417 59.877 -2.460 1
1 57 . 11 1 1 A 12 12 PHE CB C 12 39.577 39.532 0.045 1
1 60 . 11 1 1 A 12 12 PHE N N 12 119.972 120.548 -0.576 1
1 61 . 11 1 1 A 13 13 ALA H H 13 8.118 7.874 0.244 1
1 62 . 11 1 1 A 13 13 ALA HA H 13 4.570 4.487 0.083 1
1 66 . 11 1 1 A 13 13 ALA C C 13 175.002 175.929 -0.927 1
1 67 . 11 1 1 A 13 13 ALA CA C 13 50.500 51.133 -0.633 1
1 68 . 11 1 1 A 13 13 ALA CB C 13 18.532 18.372 0.160 1
1 69 . 11 1 1 A 13 13 ALA N N 13 126.968 121.289 5.679 1
1 70 . 11 1 1 A 14 14 PRO HA H 14 4.349 4.527 -0.178 1
1 76 . 11 1 1 A 14 14 PRO C C 14 177.054 176.019 1.035 1
1 77 . 11 1 1 A 14 14 PRO CA C 14 63.380 62.379 1.001 1
1 78 . 11 1 1 A 14 14 PRO CB C 14 31.960 32.115 -0.155 1
1 81 . 11 1 1 A 15 15 GLN H H 15 8.411 8.359 0.052 1
1 82 . 11 1 1 A 15 15 GLN HA H 15 4.221 4.451 -0.230 1
1 88 . 11 1 1 A 15 15 GLN C C 15 175.815 175.579 0.236 1
1 89 . 11 1 1 A 15 15 GLN CA C 15 55.929 55.283 0.646 1
1 90 . 11 1 1 A 15 15 GLN CB C 15 29.270 29.316 -0.046 1
1 92 . 11 1 1 A 15 15 GLN N N 15 120.172 120.922 -0.750 1
1 94 . 11 1 1 A 16 16 LYS H H 16 8.171 8.673 -0.502 1
1 95 . 11 1 1 A 16 16 LYS HA H 16 4.234 4.795 -0.561 1
1 102 . 11 1 1 A 16 16 LYS C C 16 176.196 175.314 0.882 1
1 103 . 11 1 1 A 16 16 LYS CA C 16 56.236 55.016 1.220 1
1 104 . 11 1 1 A 16 16 LYS CB C 16 33.171 34.313 -1.142 1
1 108 . 11 1 1 A 16 16 LYS N N 16 122.238 122.758 -0.520 1
1 109 . 11 1 1 A 17 17 PHE H H 17 8.257 8.976 -0.719 1
1 110 . 11 1 1 A 17 17 PHE HA H 17 4.715 5.017 -0.302 1
1 117 . 11 1 1 A 17 17 PHE C C 17 175.737 175.650 0.087 1
1 118 . 11 1 1 A 17 17 PHE CA C 17 57.341 57.772 -0.431 1
1 119 . 11 1 1 A 17 17 PHE CB C 17 39.776 40.760 -0.984 1
1 124 . 11 1 1 A 17 17 PHE N N 17 121.572 121.326 0.246 1
1 125 . 11 1 1 A 18 18 LYS H H 18 8.411 9.003 -0.592 1
1 126 . 11 1 1 A 18 18 LYS HA H 18 4.285 5.011 -0.726 1
1 132 . 11 1 1 A 18 18 LYS C C 18 176.317 175.721 0.596 1
1 133 . 11 1 1 A 18 18 LYS CA C 18 56.146 54.368 1.778 1
1 134 . 11 1 1 A 18 18 LYS CB C 18 33.269 35.633 -2.364 1
1 138 . 11 1 1 A 18 18 LYS N N 18 123.072 121.854 1.218 1
1 139 . 11 1 1 A 19 19 GLU H H 19 8.494 8.599 -0.105 1
1 140 . 11 1 1 A 19 19 GLU HA H 19 4.243 4.591 -0.348 1
1 144 . 11 1 1 A 19 19 GLU C C 19 176.811 175.338 1.473 1
1 145 . 11 1 1 A 19 19 GLU CA C 19 56.916 56.201 0.715 1
1 146 . 11 1 1 A 19 19 GLU CB C 19 30.158 30.290 -0.132 1
1 148 . 11 1 1 A 19 19 GLU N N 19 123.032 121.939 1.093 1
1 149 . 11 1 1 A 20 20 LYS H H 20 8.530 8.826 -0.296 1
1 150 . 11 1 1 A 20 20 LYS HA H 20 4.560 4.815 -0.255 1
1 159 . 11 1 1 A 20 20 LYS C C 20 177.491 176.892 0.599 1
1 160 . 11 1 1 A 20 20 LYS CA C 20 56.105 55.467 0.638 1
1 161 . 11 1 1 A 20 20 LYS CB C 20 34.248 33.335 0.913 1
1 165 . 11 1 1 A 20 20 LYS N N 20 123.545 125.609 -2.064 1
1 166 . 11 1 1 A 21 21 THR H H 21 8.868 8.706 0.162 1
1 167 . 11 1 1 A 21 21 THR HA H 21 4.448 4.622 -0.174 1
1 172 . 11 1 1 A 21 21 THR C C 21 175.491 175.965 -0.474 1
1 173 . 11 1 1 A 21 21 THR CA C 21 60.686 60.797 -0.111 1
1 174 . 11 1 1 A 21 21 THR CB C 21 70.760 71.063 -0.303 1
1 176 . 11 1 1 A 21 21 THR N N 21 113.437 117.201 -3.764 1
1 177 . 11 1 1 A 22 22 GLN H H 22 8.993 9.074 -0.081 1
1 178 . 11 1 1 A 22 22 GLN HA H 22 4.055 3.953 0.102 1
1 183 . 11 1 1 A 22 22 GLN C C 22 178.882 178.772 0.110 1
1 184 . 11 1 1 A 22 22 GLN CA C 22 58.899 58.788 0.111 1
1 185 . 11 1 1 A 22 22 GLN CB C 22 28.366 28.497 -0.131 1
1 187 . 11 1 1 A 22 22 GLN N N 22 120.458 121.156 -0.698 1
1 188 . 11 1 1 A 23 23 GLY H H 23 8.580 8.397 0.183 1
1 189 . 11 1 1 A 23 23 GLY HA2 H 23 3.843 3.723 0.120 1
1 190 . 11 1 1 A 23 23 GLY HA3 H 23 3.843 3.725 0.118 1
1 191 . 11 1 1 A 23 23 GLY C C 23 176.518 175.905 0.613 1
1 192 . 11 1 1 A 23 23 GLY CA C 23 46.750 47.364 -0.614 1
1 193 . 11 1 1 A 23 23 GLY N N 23 107.047 108.286 -1.239 1
1 194 . 11 1 1 A 24 24 GLN H H 24 7.771 7.926 -0.155 1
1 195 . 11 1 1 A 24 24 GLN HA H 24 3.844 3.975 -0.131 1
1 202 . 11 1 1 A 24 24 GLN C C 24 177.564 178.159 -0.595 1
1 203 . 11 1 1 A 24 24 GLN CA C 24 59.397 58.697 0.700 1
1 204 . 11 1 1 A 24 24 GLN CB C 24 29.250 28.341 0.909 1
1 206 . 11 1 1 A 24 24 GLN N N 24 120.555 121.065 -0.510 1
1 208 . 11 1 1 A 25 25 VAL H H 25 8.029 7.938 0.091 1
1 209 . 11 1 1 A 25 25 VAL HA H 25 3.163 3.322 -0.159 1
1 217 . 11 1 1 A 25 25 VAL C C 25 176.630 177.771 -1.141 1
1 218 . 11 1 1 A 25 25 VAL CA C 25 66.856 66.861 -0.005 1
1 219 . 11 1 1 A 25 25 VAL CB C 25 31.543 31.404 0.139 1
1 222 . 11 1 1 A 25 25 VAL N N 25 117.187 120.270 -3.083 1
1 223 . 11 1 1 A 26 26 LYS H H 26 7.924 8.149 -0.225 1
1 224 . 11 1 1 A 26 26 LYS HA H 26 3.995 3.968 0.027 1
1 230 . 11 1 1 A 26 26 LYS C C 26 178.199 179.324 -1.125 1
1 231 . 11 1 1 A 26 26 LYS CA C 26 59.506 59.760 -0.254 1
1 232 . 11 1 1 A 26 26 LYS CB C 26 32.209 32.648 -0.439 1
1 236 . 11 1 1 A 26 26 LYS N N 26 119.341 118.647 0.694 1
1 237 . 11 1 1 A 27 27 ILE H H 27 7.033 7.633 -0.600 1
1 238 . 11 1 1 A 27 27 ILE HA H 27 3.706 3.649 0.057 1
1 248 . 11 1 1 A 27 27 ILE C C 27 179.280 178.624 0.656 1
1 249 . 11 1 1 A 27 27 ILE CA C 27 64.803 65.363 -0.560 1
1 250 . 11 1 1 A 27 27 ILE CB C 27 38.361 37.451 0.910 1
1 254 . 11 1 1 A 27 27 ILE N N 27 117.901 120.502 -2.601 1
1 255 . 11 1 1 A 28 28 LEU H H 28 7.400 7.615 -0.215 1
1 256 . 11 1 1 A 28 28 LEU HA H 28 3.563 3.842 -0.279 1
1 266 . 11 1 1 A 28 28 LEU C C 28 177.369 178.582 -1.213 1
1 267 . 11 1 1 A 28 28 LEU CA C 28 58.256 58.164 0.092 1
1 268 . 11 1 1 A 28 28 LEU CB C 28 37.957 41.085 -3.128 1
1 272 . 11 1 1 A 28 28 LEU N N 28 121.290 119.909 1.381 1
1 273 . 11 1 1 A 29 29 GLU H H 29 8.880 8.562 0.318 1
1 274 . 11 1 1 A 29 29 GLU HA H 29 4.327 4.198 0.129 1
1 278 . 11 1 1 A 29 29 GLU C C 29 179.216 178.917 0.299 1
1 279 . 11 1 1 A 29 29 GLU CA C 29 59.430 59.828 -0.398 1
1 280 . 11 1 1 A 29 29 GLU CB C 29 29.276 29.503 -0.227 1
1 282 . 11 1 1 A 29 29 GLU N N 29 120.487 117.115 3.372 1
1 283 . 11 1 1 A 30 30 ASP H H 30 8.313 8.258 0.055 1
1 284 . 11 1 1 A 30 30 ASP HA H 30 4.422 4.424 -0.002 1
1 287 . 11 1 1 A 30 30 ASP C C 30 179.036 178.495 0.541 1
1 288 . 11 1 1 A 30 30 ASP CA C 30 57.388 57.645 -0.257 1
1 289 . 11 1 1 A 30 30 ASP CB C 30 40.547 41.998 -1.451 1
1 290 . 11 1 1 A 30 30 ASP N N 30 118.471 120.283 -1.812 1
1 291 . 11 1 1 A 31 31 SER H H 31 7.406 8.376 -0.970 1
1 292 . 11 1 1 A 31 31 SER HA H 31 4.290 4.304 -0.014 1
1 295 . 11 1 1 A 31 31 SER C C 31 177.290 176.961 0.329 1
1 296 . 11 1 1 A 31 31 SER CA C 31 61.575 61.226 0.349 1
1 297 . 11 1 1 A 31 31 SER CB C 31 63.167 62.890 0.277 1
1 298 . 11 1 1 A 31 31 SER N N 31 113.187 114.093 -0.906 1
1 299 . 11 1 1 A 32 32 PHE H H 32 9.117 8.310 0.807 1
1 300 . 11 1 1 A 32 32 PHE HA H 32 4.369 4.386 -0.017 1
1 308 . 11 1 1 A 32 32 PHE C C 32 176.545 177.335 -0.790 1
1 309 . 11 1 1 A 32 32 PHE CA C 32 61.569 61.553 0.016 1
1 310 . 11 1 1 A 32 32 PHE CB C 32 39.362 39.101 0.261 1
1 316 . 11 1 1 A 32 32 PHE N N 32 121.840 122.929 -1.089 1
1 317 . 11 1 1 A 33 33 LEU H H 33 8.235 8.987 -0.752 1
1 318 . 11 1 1 A 33 33 LEU HA H 33 3.965 3.936 0.029 1
1 328 . 11 1 1 A 33 33 LEU C C 33 179.575 179.605 -0.030 1
1 329 . 11 1 1 A 33 33 LEU CA C 33 56.998 58.209 -1.211 1
1 330 . 11 1 1 A 33 33 LEU CB C 33 42.053 41.856 0.197 1
1 334 . 11 1 1 A 33 33 LEU N N 33 115.363 120.114 -4.751 1
1 335 . 11 1 1 A 34 34 LYS H H 34 7.509 7.778 -0.269 1
1 336 . 11 1 1 A 34 34 LYS HA H 34 4.174 4.234 -0.060 1
1 343 . 11 1 1 A 34 34 LYS C C 34 178.190 176.746 1.444 1
1 344 . 11 1 1 A 34 34 LYS CA C 34 58.819 58.371 0.448 1
1 345 . 11 1 1 A 34 34 LYS CB C 34 32.352 32.682 -0.330 1
1 349 . 11 1 1 A 34 34 LYS N N 34 119.688 117.604 2.084 1
1 350 . 11 1 1 A 35 35 SER H H 35 8.130 7.945 0.185 1
1 351 . 11 1 1 A 35 35 SER HA H 35 4.379 4.760 -0.381 1
1 354 . 11 1 1 A 35 35 SER C C 35 174.000 174.077 -0.077 1
1 355 . 11 1 1 A 35 35 SER CA C 35 58.202 57.582 0.620 1
1 356 . 11 1 1 A 35 35 SER CB C 35 64.375 64.692 -0.317 1
1 357 . 11 1 1 A 35 35 SER N N 35 112.275 115.257 -2.982 1
1 358 . 11 1 1 A 36 36 SER H H 36 8.404 8.656 -0.252 1
1 359 . 11 1 1 A 36 36 SER HA H 36 3.952 2.948 1.004 1
1 362 . 11 1 1 A 36 36 SER C C 36 172.467 174.955 -2.488 1
1 363 . 11 1 1 A 36 36 SER CA C 36 59.127 62.263 -3.136 1
1 364 . 11 1 1 A 36 36 SER CB C 36 63.788 62.443 1.345 1
1 365 . 11 1 1 A 36 36 SER N N 36 121.307 122.068 -0.761 1
1 366 . 11 1 1 A 37 37 PHE H H 37 7.735 8.177 -0.442 1
1 367 . 11 1 1 A 37 37 PHE HA H 37 4.859 5.056 -0.197 1
1 375 . 11 1 1 A 37 37 PHE C C 37 172.549 174.009 -1.460 1
1 376 . 11 1 1 A 37 37 PHE CA C 37 55.604 55.364 0.240 1
1 377 . 11 1 1 A 37 37 PHE CB C 37 39.842 39.003 0.839 1
1 383 . 11 1 1 A 37 37 PHE N N 37 118.373 117.276 1.097 1
1 384 . 11 1 1 A 38 38 PRO HA H 38 4.391 4.700 -0.309 1
1 391 . 11 1 1 A 38 38 PRO C C 38 177.660 175.397 2.263 1
1 392 . 11 1 1 A 38 38 PRO CA C 38 62.193 62.483 -0.290 1
1 393 . 11 1 1 A 38 38 PRO CB C 38 31.490 33.074 -1.584 1
1 396 . 11 1 1 A 39 39 THR H H 39 7.809 8.408 -0.599 1
1 397 . 11 1 1 A 39 39 THR HA H 39 4.322 4.994 -0.672 1
1 402 . 11 1 1 A 39 39 THR C C 39 174.966 174.792 0.174 1
1 403 . 11 1 1 A 39 39 THR CA C 39 60.648 59.653 0.995 1
1 404 . 11 1 1 A 39 39 THR CB C 39 71.192 71.348 -0.156 1
1 406 . 11 1 1 A 39 39 THR N N 39 111.373 115.208 -3.835 1
1 407 . 11 1 1 A 40 40 GLN H H 40 8.880 9.113 -0.233 1
1 408 . 11 1 1 A 40 40 GLN HA H 40 3.907 3.946 -0.039 1
1 414 . 11 1 1 A 40 40 GLN C C 40 177.855 178.061 -0.206 1
1 415 . 11 1 1 A 40 40 GLN CA C 40 59.243 59.697 -0.454 1
1 416 . 11 1 1 A 40 40 GLN CB C 40 28.107 28.470 -0.363 1
1 418 . 11 1 1 A 40 40 GLN N N 40 120.143 126.539 -6.396 1
1 420 . 11 1 1 A 41 41 ALA H H 41 8.286 8.050 0.236 1
1 421 . 11 1 1 A 41 41 ALA HA H 41 4.212 3.991 0.221 1
1 425 . 11 1 1 A 41 41 ALA C C 41 180.741 179.328 1.413 1
1 426 . 11 1 1 A 41 41 ALA CA C 41 55.009 55.487 -0.478 1
1 427 . 11 1 1 A 41 41 ALA CB C 41 18.111 18.433 -0.322 1
1 428 . 11 1 1 A 41 41 ALA N N 41 119.773 122.408 -2.635 1
1 429 . 11 1 1 A 42 42 GLU H H 42 7.772 8.245 -0.473 1
1 430 . 11 1 1 A 42 42 GLU HA H 42 4.673 4.008 0.665 1
1 435 . 11 1 1 A 42 42 GLU C C 42 178.478 178.668 -0.190 1
1 436 . 11 1 1 A 42 42 GLU CA C 42 57.730 59.707 -1.977 1
1 437 . 11 1 1 A 42 42 GLU CB C 42 28.610 29.563 -0.953 1
1 439 . 11 1 1 A 42 42 GLU N N 42 122.141 118.515 3.626 1
1 440 . 11 1 1 A 43 43 LEU H H 43 8.472 8.169 0.303 1
1 441 . 11 1 1 A 43 43 LEU HA H 43 3.924 3.857 0.067 1
1 451 . 11 1 1 A 43 43 LEU C C 43 179.842 178.645 1.197 1
1 452 . 11 1 1 A 43 43 LEU CA C 43 58.828 57.690 1.138 1
1 453 . 11 1 1 A 43 43 LEU CB C 43 41.540 41.606 -0.066 1
1 457 . 11 1 1 A 43 43 LEU N N 43 121.542 120.682 0.860 1
1 458 . 11 1 1 A 44 44 ASP H H 44 8.384 7.933 0.451 1
1 459 . 11 1 1 A 44 44 ASP HA H 44 4.447 4.240 0.207 1
1 462 . 11 1 1 A 44 44 ASP C C 44 178.428 178.886 -0.458 1
1 463 . 11 1 1 A 44 44 ASP CA C 44 57.812 57.520 0.292 1
1 464 . 11 1 1 A 44 44 ASP CB C 44 40.226 40.876 -0.650 1
1 465 . 11 1 1 A 44 44 ASP N N 44 119.756 118.330 1.426 1
1 466 . 11 1 1 A 45 45 ARG H H 45 7.979 7.983 -0.004 1
1 467 . 11 1 1 A 45 45 ARG HA H 45 4.058 4.153 -0.095 1
1 475 . 11 1 1 A 45 45 ARG C C 45 179.249 178.739 0.510 1
1 476 . 11 1 1 A 45 45 ARG CA C 45 59.629 58.365 1.264 1
1 477 . 11 1 1 A 45 45 ARG CB C 45 30.553 29.585 0.968 1
1 480 . 11 1 1 A 45 45 ARG N N 45 123.029 120.000 3.029 1
1 482 . 11 1 1 A 46 46 LEU H H 46 8.943 8.465 0.478 1
1 483 . 11 1 1 A 46 46 LEU HA H 46 3.922 3.936 -0.014 1
1 493 . 11 1 1 A 46 46 LEU C C 46 180.973 178.993 1.980 1
1 494 . 11 1 1 A 46 46 LEU CA C 46 57.885 57.808 0.077 1
1 495 . 11 1 1 A 46 46 LEU CB C 46 42.943 41.337 1.606 1
1 499 . 11 1 1 A 46 46 LEU N N 46 118.282 119.902 -1.620 1
1 500 . 11 1 1 A 47 47 ARG H H 47 8.421 8.690 -0.269 1
1 501 . 11 1 1 A 47 47 ARG HA H 47 4.050 3.929 0.121 1
1 508 . 11 1 1 A 47 47 ARG C C 47 178.760 178.614 0.146 1
1 509 . 11 1 1 A 47 47 ARG CA C 47 60.366 59.311 1.055 1
1 510 . 11 1 1 A 47 47 ARG CB C 47 29.957 30.006 -0.049 1
1 513 . 11 1 1 A 47 47 ARG N N 47 125.416 117.434 7.982 1
1 514 . 11 1 1 A 48 48 VAL H H 48 7.626 7.629 -0.003 1
1 515 . 11 1 1 A 48 48 VAL HA H 48 3.700 3.735 -0.035 1
1 523 . 11 1 1 A 48 48 VAL C C 48 178.628 177.651 0.977 1
1 524 . 11 1 1 A 48 48 VAL CA C 48 66.325 64.882 1.443 1
1 525 . 11 1 1 A 48 48 VAL CB C 48 31.902 31.200 0.702 1
1 528 . 11 1 1 A 48 48 VAL N N 48 119.769 119.607 0.162 1
1 529 . 11 1 1 A 49 49 GLU H H 49 8.419 8.638 -0.219 1
1 530 . 11 1 1 A 49 49 GLU HA H 49 4.202 3.951 0.251 1
1 534 . 11 1 1 A 49 49 GLU C C 49 178.866 178.373 0.493 1
1 535 . 11 1 1 A 49 49 GLU CA C 49 59.062 59.624 -0.562 1
1 536 . 11 1 1 A 49 49 GLU CB C 49 30.950 29.248 1.702 1
1 538 . 11 1 1 A 49 49 GLU N N 49 116.074 121.947 -5.873 1
1 539 . 11 1 1 A 50 50 THR H H 50 8.436 7.938 0.498 1
1 540 . 11 1 1 A 50 50 THR HA H 50 4.335 4.329 0.006 1
1 545 . 11 1 1 A 50 50 THR C C 50 175.412 174.119 1.293 1
1 546 . 11 1 1 A 50 50 THR CA C 50 63.447 61.906 1.541 1
1 547 . 11 1 1 A 50 50 THR CB C 50 71.702 69.413 2.289 1
1 549 . 11 1 1 A 50 50 THR N N 50 105.198 108.933 -3.735 1
1 550 . 11 1 1 A 51 51 LYS H H 51 7.745 7.950 -0.205 1
1 551 . 11 1 1 A 51 51 LYS HA H 51 4.032 3.794 0.238 1
1 559 . 11 1 1 A 51 51 LYS C C 51 175.949 174.746 1.203 1
1 560 . 11 1 1 A 51 51 LYS CA C 51 58.428 57.327 1.101 1
1 561 . 11 1 1 A 51 51 LYS CB C 51 29.225 29.295 -0.070 1
1 565 . 11 1 1 A 51 51 LYS N N 51 114.904 117.281 -2.377 1
1 566 . 11 1 1 A 52 52 LEU H H 52 7.679 7.836 -0.157 1
1 567 . 11 1 1 A 52 52 LEU HA H 52 4.519 4.914 -0.395 1
1 577 . 11 1 1 A 52 52 LEU C C 52 176.301 175.590 0.711 1
1 578 . 11 1 1 A 52 52 LEU CA C 52 53.820 53.064 0.756 1
1 579 . 11 1 1 A 52 52 LEU CB C 52 43.987 45.706 -1.719 1
1 583 . 11 1 1 A 52 52 LEU N N 52 120.156 118.691 1.465 1
1 584 . 11 1 1 A 53 53 SER H H 53 8.599 8.656 -0.057 1
1 585 . 11 1 1 A 53 53 SER HA H 53 4.454 4.734 -0.280 1
1 588 . 11 1 1 A 53 53 SER C C 53 175.265 175.454 -0.189 1
1 589 . 11 1 1 A 53 53 SER CA C 53 57.586 56.943 0.643 1
1 590 . 11 1 1 A 53 53 SER CB C 53 65.402 65.337 0.065 1
1 591 . 11 1 1 A 53 53 SER N N 53 114.483 117.535 -3.052 1
1 592 . 11 1 1 A 54 54 ARG H H 54 9.030 8.893 0.137 1
1 593 . 11 1 1 A 54 54 ARG HA H 54 3.925 3.911 0.014 1
1 599 . 11 1 1 A 54 54 ARG C C 54 178.621 178.874 -0.253 1
1 600 . 11 1 1 A 54 54 ARG CA C 54 59.660 59.955 -0.295 1
1 601 . 11 1 1 A 54 54 ARG CB C 54 29.594 29.901 -0.307 1
1 604 . 11 1 1 A 54 54 ARG N N 54 121.039 124.488 -3.449 1
1 605 . 11 1 1 A 55 55 ARG H H 55 8.472 8.010 0.462 1
1 606 . 11 1 1 A 55 55 ARG HA H 55 4.253 3.986 0.267 1
1 611 . 11 1 1 A 55 55 ARG C C 55 179.367 178.342 1.025 1
1 612 . 11 1 1 A 55 55 ARG CA C 55 59.387 59.477 -0.090 1
1 613 . 11 1 1 A 55 55 ARG CB C 55 30.068 29.732 0.336 1
1 616 . 11 1 1 A 55 55 ARG N N 55 117.655 119.962 -2.307 1
1 617 . 11 1 1 A 56 56 GLU H H 56 7.849 8.191 -0.342 1
1 618 . 11 1 1 A 56 56 GLU HA H 56 3.909 4.002 -0.093 1
1 622 . 11 1 1 A 56 56 GLU C C 56 179.885 179.462 0.423 1
1 623 . 11 1 1 A 56 56 GLU CA C 56 59.421 59.229 0.192 1
1 624 . 11 1 1 A 56 56 GLU CB C 56 30.907 29.096 1.811 1
1 626 . 11 1 1 A 56 56 GLU N N 56 119.916 117.943 1.973 1
1 627 . 11 1 1 A 57 57 ILE H H 57 8.254 7.790 0.464 1
1 628 . 11 1 1 A 57 57 ILE HA H 57 3.732 3.719 0.013 1
1 638 . 11 1 1 A 57 57 ILE C C 57 177.586 177.867 -0.281 1
1 639 . 11 1 1 A 57 57 ILE CA C 57 66.553 65.449 1.104 1
1 640 . 11 1 1 A 57 57 ILE CB C 57 38.596 38.045 0.551 1
1 644 . 11 1 1 A 57 57 ILE N N 57 122.354 120.933 1.421 1
1 645 . 11 1 1 A 58 58 ASP H H 58 8.899 8.341 0.558 1
1 646 . 11 1 1 A 58 58 ASP HA H 58 4.621 4.289 0.332 1
1 649 . 11 1 1 A 58 58 ASP C C 58 180.161 178.233 1.928 1
1 650 . 11 1 1 A 58 58 ASP CA C 58 58.114 57.377 0.737 1
1 651 . 11 1 1 A 58 58 ASP CB C 58 40.817 40.899 -0.082 1
1 652 . 11 1 1 A 58 58 ASP N N 58 121.029 121.090 -0.061 1
1 653 . 11 1 1 A 59 59 SER H H 59 8.321 7.942 0.379 1
1 654 . 11 1 1 A 59 59 SER HA H 59 4.371 4.161 0.210 1
1 656 . 11 1 1 A 59 59 SER C C 59 176.017 177.020 -1.003 1
1 657 . 11 1 1 A 59 59 SER CA C 59 61.870 61.379 0.491 1
1 658 . 11 1 1 A 59 59 SER CB C 59 63.076 63.223 -0.147 1
1 659 . 11 1 1 A 59 59 SER N N 59 114.708 113.561 1.147 1
1 660 . 11 1 1 A 60 60 TRP H H 60 8.209 7.928 0.281 1
1 661 . 11 1 1 A 60 60 TRP HA H 60 4.019 4.408 -0.389 1
1 670 . 11 1 1 A 60 60 TRP C C 60 179.214 178.544 0.670 1
1 671 . 11 1 1 A 60 60 TRP CA C 60 62.981 61.269 1.712 1
1 672 . 11 1 1 A 60 60 TRP CB C 60 28.693 30.377 -1.684 1
1 678 . 11 1 1 A 60 60 TRP N N 60 123.289 123.819 -0.530 1
1 680 . 11 1 1 A 61 61 PHE H H 61 8.941 8.864 0.077 1
1 681 . 11 1 1 A 61 61 PHE HA H 61 3.798 3.932 -0.134 1
1 689 . 11 1 1 A 61 61 PHE C C 61 178.097 177.993 0.104 1
1 690 . 11 1 1 A 61 61 PHE CA C 61 63.866 61.144 2.722 1
1 691 . 11 1 1 A 61 61 PHE CB C 61 39.642 39.050 0.592 1
1 697 . 11 1 1 A 61 61 PHE N N 61 118.838 118.014 0.824 1
1 698 . 11 1 1 A 62 62 SER H H 62 8.179 8.802 -0.623 1
1 699 . 11 1 1 A 62 62 SER HA H 62 4.134 4.091 0.043 1
1 702 . 11 1 1 A 62 62 SER C C 62 177.996 177.087 0.909 1
1 703 . 11 1 1 A 62 62 SER CA C 62 62.064 61.812 0.252 1
1 704 . 11 1 1 A 62 62 SER CB C 62 62.890 62.852 0.038 1
1 705 . 11 1 1 A 62 62 SER N N 62 113.145 114.408 -1.263 1
1 706 . 11 1 1 A 63 63 GLU H H 63 8.027 8.087 -0.060 1
1 707 . 11 1 1 A 63 63 GLU HA H 63 3.910 3.943 -0.033 1
1 711 . 11 1 1 A 63 63 GLU C C 63 178.729 178.420 0.309 1
1 712 . 11 1 1 A 63 63 GLU CA C 63 58.637 59.295 -0.658 1
1 713 . 11 1 1 A 63 63 GLU CB C 63 29.188 29.278 -0.090 1
1 715 . 11 1 1 A 63 63 GLU N N 63 120.533 120.715 -0.182 1
1 716 . 11 1 1 A 64 64 ARG H H 64 8.166 7.878 0.288 1
1 717 . 11 1 1 A 64 64 ARG HA H 64 3.498 3.536 -0.038 1
1 725 . 11 1 1 A 64 64 ARG C C 64 179.466 178.727 0.739 1
1 726 . 11 1 1 A 64 64 ARG CA C 64 56.502 58.843 -2.341 1
1 727 . 11 1 1 A 64 64 ARG CB C 64 28.148 28.873 -0.725 1
1 730 . 11 1 1 A 64 64 ARG N N 64 122.505 119.562 2.943 1
1 732 . 11 1 1 A 65 65 ARG H H 65 8.002 7.938 0.064 1
1 733 . 11 1 1 A 65 65 ARG HA H 65 4.086 4.238 -0.152 1
1 740 . 11 1 1 A 65 65 ARG C C 65 177.832 178.932 -1.100 1
1 741 . 11 1 1 A 65 65 ARG CA C 65 60.054 59.673 0.381 1
1 742 . 11 1 1 A 65 65 ARG CB C 65 31.425 30.275 1.150 1
1 745 . 11 1 1 A 65 65 ARG N N 65 117.887 118.397 -0.510 1
1 746 . 11 1 1 A 66 66 LYS H H 66 7.356 7.618 -0.262 1
1 747 . 11 1 1 A 66 66 LYS HA H 66 4.141 3.936 0.205 1
1 753 . 11 1 1 A 66 66 LYS C C 66 178.353 178.857 -0.504 1
1 754 . 11 1 1 A 66 66 LYS CA C 66 58.444 59.556 -1.112 1
1 755 . 11 1 1 A 66 66 LYS CB C 66 32.288 32.272 0.016 1
1 759 . 11 1 1 A 66 66 LYS N N 66 118.479 119.564 -1.085 1
1 760 . 11 1 1 A 67 67 LEU H H 67 7.604 7.579 0.025 1
1 761 . 11 1 1 A 67 67 LEU HA H 67 4.143 4.019 0.124 1
1 771 . 11 1 1 A 67 67 LEU C C 67 178.510 178.730 -0.220 1
1 772 . 11 1 1 A 67 67 LEU CA C 67 56.712 58.210 -1.498 1
1 773 . 11 1 1 A 67 67 LEU CB C 67 41.857 41.592 0.265 1
1 777 . 11 1 1 A 67 67 LEU N N 67 120.424 117.868 2.556 1
1 778 . 11 1 1 A 68 68 ARG H H 68 7.914 8.073 -0.159 1
1 779 . 11 1 1 A 68 68 ARG HA H 68 4.262 3.987 0.275 1
1 786 . 11 1 1 A 68 68 ARG C C 68 177.396 178.321 -0.925 1
1 787 . 11 1 1 A 68 68 ARG CA C 68 57.589 59.314 -1.725 1
1 788 . 11 1 1 A 68 68 ARG CB C 68 30.211 29.971 0.240 1
1 791 . 11 1 1 A 68 68 ARG N N 68 120.638 119.740 0.898 1
1 792 . 11 1 1 A 69 69 ASP H H 69 8.337 8.490 -0.153 1
1 793 . 11 1 1 A 69 69 ASP HA H 69 4.592 4.376 0.216 1
1 796 . 11 1 1 A 69 69 ASP C C 69 176.826 176.348 0.478 1
1 797 . 11 1 1 A 69 69 ASP CA C 69 55.527 57.080 -1.553 1
1 798 . 11 1 1 A 69 69 ASP CB C 69 40.833 40.749 0.084 1
1 799 . 11 1 1 A 69 69 ASP N N 69 119.845 119.484 0.361 1
1 800 . 11 1 1 A 70 70 SER H H 70 8.002 8.344 -0.342 1
1 801 . 11 1 1 A 70 70 SER HA H 70 4.473 4.128 0.345 1
1 804 . 11 1 1 A 70 70 SER C C 70 174.524 174.649 -0.125 1
1 805 . 11 1 1 A 70 70 SER CA C 70 59.070 59.053 0.017 1
1 806 . 11 1 1 A 70 70 SER CB C 70 63.887 61.965 1.922 1
1 807 . 11 1 1 A 70 70 SER N N 70 114.740 113.720 1.020 1
1 808 . 11 1 1 A 71 71 MET H H 71 8.117 7.927 0.190 1
1 809 . 11 1 1 A 71 71 MET HA H 71 4.559 4.263 0.296 1
1 817 . 11 1 1 A 71 71 MET C C 71 175.392 176.546 -1.154 1
1 818 . 11 1 1 A 71 71 MET CA C 71 55.711 58.085 -2.374 1
1 819 . 11 1 1 A 71 71 MET CB C 71 33.246 32.258 0.988 1
1 822 . 11 1 1 A 71 71 MET N N 71 121.694 120.426 1.268 1
1 823 . 11 1 1 A 72 72 GLU HA H 72 4.245 4.396 -0.151 1
1 827 . 11 1 1 A 72 72 GLU C C 72 177.767 176.490 1.277 1
1 828 . 11 1 1 A 72 72 GLU CA C 72 57.871 56.276 1.595 1
1 829 . 11 1 1 A 72 72 GLU CB C 72 29.798 30.395 -0.597 1
1 831 . 11 1 1 A 73 73 GLN H H 73 8.210 8.513 -0.303 1
1 832 . 11 1 1 A 73 73 GLN HA H 73 4.177 4.110 0.067 1
1 836 . 11 1 1 A 73 73 GLN C C 73 176.422 175.520 0.902 1
1 837 . 11 1 1 A 73 73 GLN CA C 73 56.899 56.228 0.671 1
1 838 . 11 1 1 A 73 73 GLN CB C 73 28.852 28.893 -0.041 1
1 840 . 11 1 1 A 73 73 GLN N N 73 120.076 125.618 -5.542 1
1 841 . 11 1 1 A 74 74 ALA H H 74 8.099 8.270 -0.171 1
1 842 . 11 1 1 A 74 74 ALA HA H 74 4.239 4.275 -0.036 1
1 846 . 11 1 1 A 74 74 ALA C C 74 178.960 176.954 2.006 1
1 847 . 11 1 1 A 74 74 ALA CA C 74 53.837 51.871 1.966 1
1 848 . 11 1 1 A 74 74 ALA CB C 74 18.794 20.146 -1.352 1
1 849 . 11 1 1 A 74 74 ALA N N 74 123.168 124.235 -1.067 1
1 850 . 11 1 1 A 75 75 VAL H H 75 7.886 8.247 -0.361 1
1 851 . 11 1 1 A 75 75 VAL HA H 75 3.985 4.493 -0.508 1
1 859 . 11 1 1 A 75 75 VAL C C 75 177.376 174.711 2.665 1
1 860 . 11 1 1 A 75 75 VAL CA C 75 63.895 61.992 1.903 1
1 861 . 11 1 1 A 75 75 VAL CB C 75 32.450 32.714 -0.264 1
1 864 . 11 1 1 A 75 75 VAL N N 75 119.018 120.202 -1.184 1
1 865 . 11 1 1 A 76 76 LEU H H 76 8.074 8.779 -0.705 1
1 866 . 11 1 1 A 76 76 LEU HA H 76 4.291 5.097 -0.806 1
1 876 . 11 1 1 A 76 76 LEU C C 76 178.363 175.557 2.806 1
1 877 . 11 1 1 A 76 76 LEU CA C 76 56.247 53.316 2.931 1
1 878 . 11 1 1 A 76 76 LEU CB C 76 42.342 46.432 -4.090 1
1 882 . 11 1 1 A 76 76 LEU N N 76 124.324 128.172 -3.848 1
1 883 . 11 1 1 A 77 77 ASP H H 77 8.443 8.565 -0.122 1
1 884 . 11 1 1 A 77 77 ASP HA H 77 4.593 4.579 0.014 1
1 887 . 11 1 1 A 77 77 ASP C C 77 177.224 176.589 0.635 1
1 888 . 11 1 1 A 77 77 ASP CA C 77 55.364 54.610 0.754 1
1 889 . 11 1 1 A 77 77 ASP CB C 77 40.970 41.917 -0.947 1
1 890 . 11 1 1 A 77 77 ASP N N 77 120.595 123.910 -3.315 1
1 891 . 11 1 1 A 78 78 SER H H 78 8.121 8.720 -0.599 1
1 892 . 11 1 1 A 78 78 SER HA H 78 4.421 4.654 -0.233 1
1 894 . 11 1 1 A 78 78 SER C C 78 175.244 173.835 1.409 1
1 895 . 11 1 1 A 78 78 SER CA C 78 58.809 59.517 -0.708 1
1 896 . 11 1 1 A 78 78 SER CB C 78 63.674 63.131 0.543 1
1 897 . 11 1 1 A 78 78 SER N N 78 115.700 118.161 -2.461 1
1 898 . 11 1 1 A 79 79 MET H H 79 8.202 8.776 -0.574 1
1 899 . 11 1 1 A 79 79 MET HA H 79 4.525 5.030 -0.505 1
1 903 . 11 1 1 A 79 79 MET C C 79 177.199 175.746 1.453 1
1 904 . 11 1 1 A 79 79 MET CA C 79 56.010 53.837 2.173 1
1 905 . 11 1 1 A 79 79 MET CB C 79 32.610 35.454 -2.844 1
1 907 . 11 1 1 A 79 79 MET N N 79 121.204 125.590 -4.386 1
1 908 . 11 1 1 A 80 80 GLY H H 80 8.268 8.931 -0.663 1
1 909 . 11 1 1 A 80 80 GLY C C 80 174.529 173.432 1.097 1
1 910 . 11 1 1 A 80 80 GLY CA C 80 45.637 46.789 -1.152 1
1 911 . 11 1 1 A 80 80 GLY N N 80 109.108 111.504 -2.396 1
1 912 . 11 1 1 A 81 81 SER HA H 81 4.478 4.844 -0.366 1
1 915 . 11 1 1 A 81 81 SER C C 81 175.336 172.945 2.391 1
1 916 . 11 1 1 A 81 81 SER CA C 81 58.701 57.188 1.513 1
1 917 . 11 1 1 A 81 81 SER CB C 81 63.977 65.016 -1.039 1
1 918 . 11 1 1 A 82 82 GLY H H 82 8.526 8.468 0.058 1
1 919 . 11 1 1 A 82 82 GLY HA2 H 82 4.018 4.149 -0.131 1
1 920 . 11 1 1 A 82 82 GLY HA3 H 82 4.018 4.149 -0.131 1
1 921 . 11 1 1 A 82 82 GLY C C 82 174.290 173.011 1.279 1
1 922 . 11 1 1 A 82 82 GLY CA C 82 45.485 44.039 1.446 1
1 923 . 11 1 1 A 82 82 GLY N N 82 110.928 112.445 -1.517 1
1 924 . 11 1 1 A 83 83 LYS H H 83 8.159 8.395 -0.236 1
1 925 . 11 1 1 A 83 83 LYS C C 83 176.692 175.631 1.061 1
1 926 . 11 1 1 A 83 83 LYS CA C 83 56.216 55.919 0.297 1
1 927 . 11 1 1 A 83 83 LYS CB C 83 33.201 33.658 -0.457 1
1 928 . 11 1 1 A 83 83 LYS N N 83 120.759 121.470 -0.711 1
1 929 . 11 1 1 A 88 88 SER HA H 88 4.509 5.110 -0.601 1
1 932 . 11 1 1 A 88 88 SER C C 88 173.946 174.030 -0.084 1
1 933 . 11 1 1 A 88 88 SER CA C 88 58.432 57.296 1.136 1
1 934 . 11 1 1 A 88 88 SER CB C 88 64.208 64.225 -0.017 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.940 3.943 -0.003 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.940 4.053 -0.113 1
1 3 . 12 1 1 A 7 7 GLY C C 7 173.532 171.794 1.738 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.255 44.452 0.803 1
1 5 . 12 1 1 A 8 8 ALA H H 8 8.010 8.574 -0.564 1
1 6 . 12 1 1 A 8 8 ALA HA H 8 4.259 4.530 -0.271 1
1 10 . 12 1 1 A 8 8 ALA C C 8 176.987 176.598 0.389 1
1 11 . 12 1 1 A 8 8 ALA CA C 8 52.334 51.140 1.194 1
1 12 . 12 1 1 A 8 8 ALA CB C 8 19.389 19.811 -0.422 1
1 13 . 12 1 1 A 8 8 ALA N N 8 123.317 127.721 -4.404 1
1 14 . 12 1 1 A 9 9 TYR H H 9 8.110 8.469 -0.359 1
1 15 . 12 1 1 A 9 9 TYR HA H 9 4.832 4.876 -0.044 1
1 22 . 12 1 1 A 9 9 TYR C C 9 174.112 173.452 0.660 1
1 23 . 12 1 1 A 9 9 TYR CA C 9 55.642 55.803 -0.161 1
1 24 . 12 1 1 A 9 9 TYR CB C 9 38.292 41.037 -2.745 1
1 29 . 12 1 1 A 9 9 TYR N N 9 120.065 119.927 0.138 1
1 30 . 12 1 1 A 10 10 PRO HA H 10 4.377 4.807 -0.430 1
1 36 . 12 1 1 A 10 10 PRO C C 10 176.388 174.975 1.413 1
1 37 . 12 1 1 A 10 10 PRO CA C 10 63.332 62.600 0.732 1
1 38 . 12 1 1 A 10 10 PRO CB C 10 31.985 30.704 1.281 1
1 41 . 12 1 1 A 11 11 ASP H H 11 8.249 8.300 -0.051 1
1 42 . 12 1 1 A 11 11 ASP HA H 11 4.537 5.259 -0.722 1
1 45 . 12 1 1 A 11 11 ASP C C 11 175.893 173.729 2.164 1
1 46 . 12 1 1 A 11 11 ASP CA C 11 54.410 53.141 1.269 1
1 47 . 12 1 1 A 11 11 ASP CB C 11 41.149 44.792 -3.643 1
1 48 . 12 1 1 A 11 11 ASP N N 11 119.884 123.548 -3.664 1
1 49 . 12 1 1 A 12 12 PHE H H 12 8.028 8.914 -0.886 1
1 50 . 12 1 1 A 12 12 PHE HA H 12 4.616 5.456 -0.840 1
1 55 . 12 1 1 A 12 12 PHE C C 12 175.001 174.099 0.902 1
1 56 . 12 1 1 A 12 12 PHE CA C 12 57.417 55.886 1.531 1
1 57 . 12 1 1 A 12 12 PHE CB C 12 39.577 42.024 -2.447 1
1 60 . 12 1 1 A 12 12 PHE N N 12 119.972 126.675 -6.703 1
1 61 . 12 1 1 A 13 13 ALA H H 13 8.118 8.206 -0.088 1
1 62 . 12 1 1 A 13 13 ALA HA H 13 4.570 4.311 0.259 1
1 66 . 12 1 1 A 13 13 ALA C C 13 175.002 174.030 0.972 1
1 67 . 12 1 1 A 13 13 ALA CA C 13 50.500 49.733 0.767 1
1 68 . 12 1 1 A 13 13 ALA CB C 13 18.532 22.272 -3.740 1
1 69 . 12 1 1 A 13 13 ALA N N 13 126.968 128.964 -1.996 1
1 70 . 12 1 1 A 14 14 PRO HA H 14 4.349 4.595 -0.246 1
1 76 . 12 1 1 A 14 14 PRO C C 14 177.054 175.347 1.707 1
1 77 . 12 1 1 A 14 14 PRO CA C 14 63.380 62.600 0.780 1
1 78 . 12 1 1 A 14 14 PRO CB C 14 31.960 33.199 -1.239 1
1 81 . 12 1 1 A 15 15 GLN H H 15 8.411 8.434 -0.023 1
1 82 . 12 1 1 A 15 15 GLN HA H 15 4.221 4.897 -0.676 1
1 88 . 12 1 1 A 15 15 GLN C C 15 175.815 174.388 1.427 1
1 89 . 12 1 1 A 15 15 GLN CA C 15 55.929 54.092 1.837 1
1 90 . 12 1 1 A 15 15 GLN CB C 15 29.270 33.500 -4.230 1
1 92 . 12 1 1 A 15 15 GLN N N 15 120.172 118.808 1.364 1
1 94 . 12 1 1 A 16 16 LYS H H 16 8.171 8.738 -0.567 1
1 95 . 12 1 1 A 16 16 LYS HA H 16 4.234 5.069 -0.835 1
1 102 . 12 1 1 A 16 16 LYS C C 16 176.196 174.977 1.219 1
1 103 . 12 1 1 A 16 16 LYS CA C 16 56.236 54.754 1.482 1
1 104 . 12 1 1 A 16 16 LYS CB C 16 33.171 36.059 -2.888 1
1 108 . 12 1 1 A 16 16 LYS N N 16 122.238 117.835 4.403 1
1 109 . 12 1 1 A 17 17 PHE H H 17 8.257 9.006 -0.749 1
1 110 . 12 1 1 A 17 17 PHE HA H 17 4.715 4.762 -0.047 1
1 117 . 12 1 1 A 17 17 PHE C C 17 175.737 174.948 0.789 1
1 118 . 12 1 1 A 17 17 PHE CA C 17 57.341 59.175 -1.834 1
1 119 . 12 1 1 A 17 17 PHE CB C 17 39.776 39.922 -0.146 1
1 124 . 12 1 1 A 17 17 PHE N N 17 121.572 124.019 -2.447 1
1 125 . 12 1 1 A 18 18 LYS H H 18 8.411 7.877 0.534 1
1 126 . 12 1 1 A 18 18 LYS HA H 18 4.285 4.392 -0.107 1
1 132 . 12 1 1 A 18 18 LYS C C 18 176.317 175.821 0.496 1
1 133 . 12 1 1 A 18 18 LYS CA C 18 56.146 54.351 1.795 1
1 134 . 12 1 1 A 18 18 LYS CB C 18 33.269 33.975 -0.706 1
1 138 . 12 1 1 A 18 18 LYS N N 18 123.072 124.761 -1.689 1
1 139 . 12 1 1 A 19 19 GLU H H 19 8.494 8.459 0.035 1
1 140 . 12 1 1 A 19 19 GLU HA H 19 4.243 4.726 -0.483 1
1 144 . 12 1 1 A 19 19 GLU C C 19 176.811 175.519 1.292 1
1 145 . 12 1 1 A 19 19 GLU CA C 19 56.916 55.108 1.808 1
1 146 . 12 1 1 A 19 19 GLU CB C 19 30.158 31.507 -1.349 1
1 148 . 12 1 1 A 19 19 GLU N N 19 123.032 121.405 1.627 1
1 149 . 12 1 1 A 20 20 LYS H H 20 8.530 8.437 0.093 1
1 150 . 12 1 1 A 20 20 LYS HA H 20 4.560 5.076 -0.516 1
1 159 . 12 1 1 A 20 20 LYS C C 20 177.491 176.186 1.305 1
1 160 . 12 1 1 A 20 20 LYS CA C 20 56.105 54.498 1.607 1
1 161 . 12 1 1 A 20 20 LYS CB C 20 34.248 36.324 -2.076 1
1 165 . 12 1 1 A 20 20 LYS N N 20 123.545 119.714 3.831 1
1 166 . 12 1 1 A 21 21 THR H H 21 8.868 8.681 0.187 1
1 167 . 12 1 1 A 21 21 THR HA H 21 4.448 4.758 -0.310 1
1 172 . 12 1 1 A 21 21 THR C C 21 175.491 176.153 -0.662 1
1 173 . 12 1 1 A 21 21 THR CA C 21 60.686 60.489 0.197 1
1 174 . 12 1 1 A 21 21 THR CB C 21 70.760 71.468 -0.708 1
1 176 . 12 1 1 A 21 21 THR N N 21 113.437 114.187 -0.750 1
1 177 . 12 1 1 A 22 22 GLN H H 22 8.993 8.994 -0.001 1
1 178 . 12 1 1 A 22 22 GLN HA H 22 4.055 3.959 0.096 1
1 183 . 12 1 1 A 22 22 GLN C C 22 178.882 179.158 -0.276 1
1 184 . 12 1 1 A 22 22 GLN CA C 22 58.899 58.733 0.166 1
1 185 . 12 1 1 A 22 22 GLN CB C 22 28.366 28.393 -0.027 1
1 187 . 12 1 1 A 22 22 GLN N N 22 120.458 121.340 -0.882 1
1 188 . 12 1 1 A 23 23 GLY H H 23 8.580 8.341 0.239 1
1 189 . 12 1 1 A 23 23 GLY HA2 H 23 3.843 3.776 0.067 1
1 190 . 12 1 1 A 23 23 GLY HA3 H 23 3.843 3.778 0.065 1
1 191 . 12 1 1 A 23 23 GLY C C 23 176.518 175.821 0.697 1
1 192 . 12 1 1 A 23 23 GLY CA C 23 46.750 47.181 -0.431 1
1 193 . 12 1 1 A 23 23 GLY N N 23 107.047 109.542 -2.495 1
1 194 . 12 1 1 A 24 24 GLN H H 24 7.771 7.452 0.319 1
1 195 . 12 1 1 A 24 24 GLN HA H 24 3.844 3.929 -0.085 1
1 202 . 12 1 1 A 24 24 GLN C C 24 177.564 178.278 -0.714 1
1 203 . 12 1 1 A 24 24 GLN CA C 24 59.397 58.728 0.669 1
1 204 . 12 1 1 A 24 24 GLN CB C 24 29.250 28.672 0.578 1
1 206 . 12 1 1 A 24 24 GLN N N 24 120.555 120.964 -0.409 1
1 208 . 12 1 1 A 25 25 VAL H H 25 8.029 7.956 0.073 1
1 209 . 12 1 1 A 25 25 VAL HA H 25 3.163 3.387 -0.224 1
1 217 . 12 1 1 A 25 25 VAL C C 25 176.630 177.623 -0.993 1
1 218 . 12 1 1 A 25 25 VAL CA C 25 66.856 66.878 -0.022 1
1 219 . 12 1 1 A 25 25 VAL CB C 25 31.543 31.409 0.134 1
1 222 . 12 1 1 A 25 25 VAL N N 25 117.187 120.425 -3.238 1
1 223 . 12 1 1 A 26 26 LYS H H 26 7.924 8.053 -0.129 1
1 224 . 12 1 1 A 26 26 LYS HA H 26 3.995 4.056 -0.061 1
1 230 . 12 1 1 A 26 26 LYS C C 26 178.199 178.572 -0.373 1
1 231 . 12 1 1 A 26 26 LYS CA C 26 59.506 59.993 -0.487 1
1 232 . 12 1 1 A 26 26 LYS CB C 26 32.209 31.926 0.283 1
1 236 . 12 1 1 A 26 26 LYS N N 26 119.341 120.191 -0.850 1
1 237 . 12 1 1 A 27 27 ILE H H 27 7.033 7.640 -0.607 1
1 238 . 12 1 1 A 27 27 ILE HA H 27 3.706 3.664 0.042 1
1 248 . 12 1 1 A 27 27 ILE C C 27 179.280 178.763 0.517 1
1 249 . 12 1 1 A 27 27 ILE CA C 27 64.803 65.088 -0.285 1
1 250 . 12 1 1 A 27 27 ILE CB C 27 38.361 37.254 1.107 1
1 254 . 12 1 1 A 27 27 ILE N N 27 117.901 119.983 -2.082 1
1 255 . 12 1 1 A 28 28 LEU H H 28 7.400 7.735 -0.335 1
1 256 . 12 1 1 A 28 28 LEU HA H 28 3.563 3.890 -0.327 1
1 266 . 12 1 1 A 28 28 LEU C C 28 177.369 178.568 -1.199 1
1 267 . 12 1 1 A 28 28 LEU CA C 28 58.256 57.793 0.463 1
1 268 . 12 1 1 A 28 28 LEU CB C 28 37.957 40.462 -2.505 1
1 272 . 12 1 1 A 28 28 LEU N N 28 121.290 119.843 1.447 1
1 273 . 12 1 1 A 29 29 GLU H H 29 8.880 8.535 0.345 1
1 274 . 12 1 1 A 29 29 GLU HA H 29 4.327 4.106 0.221 1
1 278 . 12 1 1 A 29 29 GLU C C 29 179.216 178.569 0.647 1
1 279 . 12 1 1 A 29 29 GLU CA C 29 59.430 59.752 -0.322 1
1 280 . 12 1 1 A 29 29 GLU CB C 29 29.276 29.199 0.077 1
1 282 . 12 1 1 A 29 29 GLU N N 29 120.487 117.732 2.755 1
1 283 . 12 1 1 A 30 30 ASP H H 30 8.313 8.166 0.147 1
1 284 . 12 1 1 A 30 30 ASP HA H 30 4.422 4.392 0.030 1
1 287 . 12 1 1 A 30 30 ASP C C 30 179.036 178.298 0.738 1
1 288 . 12 1 1 A 30 30 ASP CA C 30 57.388 57.735 -0.347 1
1 289 . 12 1 1 A 30 30 ASP CB C 30 40.547 42.078 -1.531 1
1 290 . 12 1 1 A 30 30 ASP N N 30 118.471 120.888 -2.417 1
1 291 . 12 1 1 A 31 31 SER H H 31 7.406 7.644 -0.238 1
1 292 . 12 1 1 A 31 31 SER HA H 31 4.290 4.291 -0.001 1
1 295 . 12 1 1 A 31 31 SER C C 31 177.290 177.208 0.082 1
1 296 . 12 1 1 A 31 31 SER CA C 31 61.575 61.421 0.154 1
1 297 . 12 1 1 A 31 31 SER CB C 31 63.167 63.282 -0.115 1
1 298 . 12 1 1 A 31 31 SER N N 31 113.187 114.039 -0.852 1
1 299 . 12 1 1 A 32 32 PHE H H 32 9.117 8.062 1.055 1
1 300 . 12 1 1 A 32 32 PHE HA H 32 4.369 4.291 0.078 1
1 308 . 12 1 1 A 32 32 PHE C C 32 176.545 177.325 -0.780 1
1 309 . 12 1 1 A 32 32 PHE CA C 32 61.569 61.691 -0.122 1
1 310 . 12 1 1 A 32 32 PHE CB C 32 39.362 39.150 0.212 1
1 316 . 12 1 1 A 32 32 PHE N N 32 121.840 122.736 -0.896 1
1 317 . 12 1 1 A 33 33 LEU H H 33 8.235 8.816 -0.581 1
1 318 . 12 1 1 A 33 33 LEU HA H 33 3.965 4.109 -0.144 1
1 328 . 12 1 1 A 33 33 LEU C C 33 179.575 179.184 0.391 1
1 329 . 12 1 1 A 33 33 LEU CA C 33 56.998 58.431 -1.433 1
1 330 . 12 1 1 A 33 33 LEU CB C 33 42.053 41.874 0.179 1
1 334 . 12 1 1 A 33 33 LEU N N 33 115.363 120.151 -4.788 1
1 335 . 12 1 1 A 34 34 LYS H H 34 7.509 7.363 0.146 1
1 336 . 12 1 1 A 34 34 LYS HA H 34 4.174 4.223 -0.049 1
1 343 . 12 1 1 A 34 34 LYS C C 34 178.190 176.460 1.730 1
1 344 . 12 1 1 A 34 34 LYS CA C 34 58.819 58.345 0.474 1
1 345 . 12 1 1 A 34 34 LYS CB C 34 32.352 33.266 -0.914 1
1 349 . 12 1 1 A 34 34 LYS N N 34 119.688 117.190 2.498 1
1 350 . 12 1 1 A 35 35 SER H H 35 8.130 8.230 -0.100 1
1 351 . 12 1 1 A 35 35 SER HA H 35 4.379 4.785 -0.406 1
1 354 . 12 1 1 A 35 35 SER C C 35 174.000 174.075 -0.075 1
1 355 . 12 1 1 A 35 35 SER CA C 35 58.202 57.773 0.429 1
1 356 . 12 1 1 A 35 35 SER CB C 35 64.375 64.484 -0.109 1
1 357 . 12 1 1 A 35 35 SER N N 35 112.275 115.191 -2.916 1
1 358 . 12 1 1 A 36 36 SER H H 36 8.404 8.654 -0.250 1
1 359 . 12 1 1 A 36 36 SER HA H 36 3.952 2.732 1.220 1
1 362 . 12 1 1 A 36 36 SER C C 36 172.467 174.789 -2.322 1
1 363 . 12 1 1 A 36 36 SER CA C 36 59.127 61.538 -2.411 1
1 364 . 12 1 1 A 36 36 SER CB C 36 63.788 62.767 1.021 1
1 365 . 12 1 1 A 36 36 SER N N 36 121.307 121.264 0.043 1
1 366 . 12 1 1 A 37 37 PHE H H 37 7.735 8.128 -0.393 1
1 367 . 12 1 1 A 37 37 PHE HA H 37 4.859 5.036 -0.177 1
1 375 . 12 1 1 A 37 37 PHE C C 37 172.549 173.673 -1.124 1
1 376 . 12 1 1 A 37 37 PHE CA C 37 55.604 54.875 0.729 1
1 377 . 12 1 1 A 37 37 PHE CB C 37 39.842 39.157 0.685 1
1 383 . 12 1 1 A 37 37 PHE N N 37 118.373 120.041 -1.668 1
1 384 . 12 1 1 A 38 38 PRO HA H 38 4.391 5.053 -0.662 1
1 391 . 12 1 1 A 38 38 PRO C C 38 177.660 175.785 1.875 1
1 392 . 12 1 1 A 38 38 PRO CA C 38 62.193 62.481 -0.288 1
1 393 . 12 1 1 A 38 38 PRO CB C 38 31.490 32.577 -1.087 1
1 396 . 12 1 1 A 39 39 THR H H 39 7.809 8.370 -0.561 1
1 397 . 12 1 1 A 39 39 THR HA H 39 4.322 4.719 -0.397 1
1 402 . 12 1 1 A 39 39 THR C C 39 174.966 175.411 -0.445 1
1 403 . 12 1 1 A 39 39 THR CA C 39 60.648 60.025 0.623 1
1 404 . 12 1 1 A 39 39 THR CB C 39 71.192 70.922 0.270 1
1 406 . 12 1 1 A 39 39 THR N N 39 111.373 116.709 -5.336 1
1 407 . 12 1 1 A 40 40 GLN H H 40 8.880 9.079 -0.199 1
1 408 . 12 1 1 A 40 40 GLN HA H 40 3.907 3.946 -0.039 1
1 414 . 12 1 1 A 40 40 GLN C C 40 177.855 177.703 0.152 1
1 415 . 12 1 1 A 40 40 GLN CA C 40 59.243 59.632 -0.389 1
1 416 . 12 1 1 A 40 40 GLN CB C 40 28.107 28.635 -0.528 1
1 418 . 12 1 1 A 40 40 GLN N N 40 120.143 126.347 -6.204 1
1 420 . 12 1 1 A 41 41 ALA H H 41 8.286 8.124 0.162 1
1 421 . 12 1 1 A 41 41 ALA HA H 41 4.212 4.074 0.138 1
1 425 . 12 1 1 A 41 41 ALA C C 41 180.741 179.313 1.428 1
1 426 . 12 1 1 A 41 41 ALA CA C 41 55.009 55.044 -0.035 1
1 427 . 12 1 1 A 41 41 ALA CB C 41 18.111 18.441 -0.330 1
1 428 . 12 1 1 A 41 41 ALA N N 41 119.773 122.053 -2.280 1
1 429 . 12 1 1 A 42 42 GLU H H 42 7.772 8.439 -0.667 1
1 430 . 12 1 1 A 42 42 GLU HA H 42 4.673 3.967 0.706 1
1 435 . 12 1 1 A 42 42 GLU C C 42 178.478 178.987 -0.509 1
1 436 . 12 1 1 A 42 42 GLU CA C 42 57.730 59.617 -1.887 1
1 437 . 12 1 1 A 42 42 GLU CB C 42 28.610 29.549 -0.939 1
1 439 . 12 1 1 A 42 42 GLU N N 42 122.141 118.397 3.744 1
1 440 . 12 1 1 A 43 43 LEU H H 43 8.472 7.996 0.476 1
1 441 . 12 1 1 A 43 43 LEU HA H 43 3.924 3.858 0.066 1
1 451 . 12 1 1 A 43 43 LEU C C 43 179.842 178.625 1.217 1
1 452 . 12 1 1 A 43 43 LEU CA C 43 58.828 58.025 0.803 1
1 453 . 12 1 1 A 43 43 LEU CB C 43 41.540 41.288 0.252 1
1 457 . 12 1 1 A 43 43 LEU N N 43 121.542 120.508 1.034 1
1 458 . 12 1 1 A 44 44 ASP H H 44 8.384 8.513 -0.129 1
1 459 . 12 1 1 A 44 44 ASP HA H 44 4.447 4.323 0.124 1
1 462 . 12 1 1 A 44 44 ASP C C 44 178.428 178.564 -0.136 1
1 463 . 12 1 1 A 44 44 ASP CA C 44 57.812 57.488 0.324 1
1 464 . 12 1 1 A 44 44 ASP CB C 44 40.226 42.022 -1.796 1
1 465 . 12 1 1 A 44 44 ASP N N 44 119.756 119.194 0.562 1
1 466 . 12 1 1 A 45 45 ARG H H 45 7.979 8.134 -0.155 1
1 467 . 12 1 1 A 45 45 ARG HA H 45 4.058 4.090 -0.032 1
1 475 . 12 1 1 A 45 45 ARG C C 45 179.249 178.708 0.541 1
1 476 . 12 1 1 A 45 45 ARG CA C 45 59.629 58.196 1.433 1
1 477 . 12 1 1 A 45 45 ARG CB C 45 30.553 29.980 0.573 1
1 480 . 12 1 1 A 45 45 ARG N N 45 123.029 120.021 3.008 1
1 482 . 12 1 1 A 46 46 LEU H H 46 8.943 8.263 0.680 1
1 483 . 12 1 1 A 46 46 LEU HA H 46 3.922 3.900 0.022 1
1 493 . 12 1 1 A 46 46 LEU C C 46 180.973 178.967 2.006 1
1 494 . 12 1 1 A 46 46 LEU CA C 46 57.885 57.752 0.133 1
1 495 . 12 1 1 A 46 46 LEU CB C 46 42.943 41.501 1.442 1
1 499 . 12 1 1 A 46 46 LEU N N 46 118.282 119.886 -1.604 1
1 500 . 12 1 1 A 47 47 ARG H H 47 8.421 8.494 -0.073 1
1 501 . 12 1 1 A 47 47 ARG HA H 47 4.050 3.942 0.108 1
1 508 . 12 1 1 A 47 47 ARG C C 47 178.760 178.443 0.317 1
1 509 . 12 1 1 A 47 47 ARG CA C 47 60.366 59.234 1.132 1
1 510 . 12 1 1 A 47 47 ARG CB C 47 29.957 30.001 -0.044 1
1 513 . 12 1 1 A 47 47 ARG N N 47 125.416 117.352 8.064 1
1 514 . 12 1 1 A 48 48 VAL H H 48 7.626 8.111 -0.485 1
1 515 . 12 1 1 A 48 48 VAL HA H 48 3.700 3.727 -0.027 1
1 523 . 12 1 1 A 48 48 VAL C C 48 178.628 177.643 0.985 1
1 524 . 12 1 1 A 48 48 VAL CA C 48 66.325 64.956 1.369 1
1 525 . 12 1 1 A 48 48 VAL CB C 48 31.902 31.208 0.694 1
1 528 . 12 1 1 A 48 48 VAL N N 48 119.769 119.591 0.178 1
1 529 . 12 1 1 A 49 49 GLU H H 49 8.419 8.654 -0.235 1
1 530 . 12 1 1 A 49 49 GLU HA H 49 4.202 4.015 0.187 1
1 534 . 12 1 1 A 49 49 GLU C C 49 178.866 178.730 0.136 1
1 535 . 12 1 1 A 49 49 GLU CA C 49 59.062 59.344 -0.282 1
1 536 . 12 1 1 A 49 49 GLU CB C 49 30.950 29.437 1.513 1
1 538 . 12 1 1 A 49 49 GLU N N 49 116.074 121.811 -5.737 1
1 539 . 12 1 1 A 50 50 THR H H 50 8.436 8.190 0.246 1
1 540 . 12 1 1 A 50 50 THR HA H 50 4.335 4.270 0.065 1
1 545 . 12 1 1 A 50 50 THR C C 50 175.412 174.219 1.193 1
1 546 . 12 1 1 A 50 50 THR CA C 50 63.447 62.392 1.055 1
1 547 . 12 1 1 A 50 50 THR CB C 50 71.702 69.233 2.469 1
1 549 . 12 1 1 A 50 50 THR N N 50 105.198 110.370 -5.172 1
1 550 . 12 1 1 A 51 51 LYS H H 51 7.745 7.838 -0.093 1
1 551 . 12 1 1 A 51 51 LYS HA H 51 4.032 3.793 0.239 1
1 559 . 12 1 1 A 51 51 LYS C C 51 175.949 174.702 1.247 1
1 560 . 12 1 1 A 51 51 LYS CA C 51 58.428 57.353 1.075 1
1 561 . 12 1 1 A 51 51 LYS CB C 51 29.225 29.182 0.043 1
1 565 . 12 1 1 A 51 51 LYS N N 51 114.904 117.050 -2.146 1
1 566 . 12 1 1 A 52 52 LEU H H 52 7.679 7.758 -0.079 1
1 567 . 12 1 1 A 52 52 LEU HA H 52 4.519 4.831 -0.312 1
1 577 . 12 1 1 A 52 52 LEU C C 52 176.301 175.620 0.681 1
1 578 . 12 1 1 A 52 52 LEU CA C 52 53.820 53.065 0.755 1
1 579 . 12 1 1 A 52 52 LEU CB C 52 43.987 46.180 -2.193 1
1 583 . 12 1 1 A 52 52 LEU N N 52 120.156 119.173 0.983 1
1 584 . 12 1 1 A 53 53 SER H H 53 8.599 8.814 -0.215 1
1 585 . 12 1 1 A 53 53 SER HA H 53 4.454 4.522 -0.068 1
1 588 . 12 1 1 A 53 53 SER C C 53 175.265 175.884 -0.619 1
1 589 . 12 1 1 A 53 53 SER CA C 53 57.586 58.440 -0.854 1
1 590 . 12 1 1 A 53 53 SER CB C 53 65.402 63.788 1.614 1
1 591 . 12 1 1 A 53 53 SER N N 53 114.483 117.575 -3.092 1
1 592 . 12 1 1 A 54 54 ARG H H 54 9.030 8.778 0.252 1
1 593 . 12 1 1 A 54 54 ARG HA H 54 3.925 4.011 -0.086 1
1 599 . 12 1 1 A 54 54 ARG C C 54 178.621 178.450 0.171 1
1 600 . 12 1 1 A 54 54 ARG CA C 54 59.660 58.945 0.715 1
1 601 . 12 1 1 A 54 54 ARG CB C 54 29.594 29.695 -0.101 1
1 604 . 12 1 1 A 54 54 ARG N N 54 121.039 125.011 -3.972 1
1 605 . 12 1 1 A 55 55 ARG H H 55 8.472 8.142 0.330 1
1 606 . 12 1 1 A 55 55 ARG HA H 55 4.253 4.036 0.217 1
1 611 . 12 1 1 A 55 55 ARG C C 55 179.367 179.066 0.301 1
1 612 . 12 1 1 A 55 55 ARG CA C 55 59.387 59.422 -0.035 1
1 613 . 12 1 1 A 55 55 ARG CB C 55 30.068 29.841 0.227 1
1 616 . 12 1 1 A 55 55 ARG N N 55 117.655 119.909 -2.254 1
1 617 . 12 1 1 A 56 56 GLU H H 56 7.849 7.916 -0.067 1
1 618 . 12 1 1 A 56 56 GLU HA H 56 3.909 4.124 -0.215 1
1 622 . 12 1 1 A 56 56 GLU C C 56 179.885 179.413 0.472 1
1 623 . 12 1 1 A 56 56 GLU CA C 56 59.421 59.130 0.291 1
1 624 . 12 1 1 A 56 56 GLU CB C 56 30.907 29.345 1.562 1
1 626 . 12 1 1 A 56 56 GLU N N 56 119.916 118.430 1.486 1
1 627 . 12 1 1 A 57 57 ILE H H 57 8.254 7.669 0.585 1
1 628 . 12 1 1 A 57 57 ILE HA H 57 3.732 3.796 -0.064 1
1 638 . 12 1 1 A 57 57 ILE C C 57 177.586 177.714 -0.128 1
1 639 . 12 1 1 A 57 57 ILE CA C 57 66.553 65.336 1.217 1
1 640 . 12 1 1 A 57 57 ILE CB C 57 38.596 37.681 0.915 1
1 644 . 12 1 1 A 57 57 ILE N N 57 122.354 121.192 1.162 1
1 645 . 12 1 1 A 58 58 ASP H H 58 8.899 8.098 0.801 1
1 646 . 12 1 1 A 58 58 ASP HA H 58 4.621 4.260 0.361 1
1 649 . 12 1 1 A 58 58 ASP C C 58 180.161 178.350 1.811 1
1 650 . 12 1 1 A 58 58 ASP CA C 58 58.114 57.589 0.525 1
1 651 . 12 1 1 A 58 58 ASP CB C 58 40.817 41.586 -0.769 1
1 652 . 12 1 1 A 58 58 ASP N N 58 121.029 121.433 -0.404 1
1 653 . 12 1 1 A 59 59 SER H H 59 8.321 8.341 -0.020 1
1 654 . 12 1 1 A 59 59 SER HA H 59 4.371 4.244 0.127 1
1 656 . 12 1 1 A 59 59 SER C C 59 176.017 176.639 -0.622 1
1 657 . 12 1 1 A 59 59 SER CA C 59 61.870 61.412 0.458 1
1 658 . 12 1 1 A 59 59 SER CB C 59 63.076 62.242 0.834 1
1 659 . 12 1 1 A 59 59 SER N N 59 114.708 114.468 0.240 1
1 660 . 12 1 1 A 60 60 TRP H H 60 8.209 7.767 0.442 1
1 661 . 12 1 1 A 60 60 TRP HA H 60 4.019 4.496 -0.477 1
1 670 . 12 1 1 A 60 60 TRP C C 60 179.214 178.619 0.595 1
1 671 . 12 1 1 A 60 60 TRP CA C 60 62.981 61.463 1.518 1
1 672 . 12 1 1 A 60 60 TRP CB C 60 28.693 29.751 -1.058 1
1 678 . 12 1 1 A 60 60 TRP N N 60 123.289 124.501 -1.212 1
1 680 . 12 1 1 A 61 61 PHE H H 61 8.941 8.815 0.126 1
1 681 . 12 1 1 A 61 61 PHE HA H 61 3.798 4.420 -0.622 1
1 689 . 12 1 1 A 61 61 PHE C C 61 178.097 178.236 -0.139 1
1 690 . 12 1 1 A 61 61 PHE CA C 61 63.866 61.399 2.467 1
1 691 . 12 1 1 A 61 61 PHE CB C 61 39.642 39.073 0.569 1
1 697 . 12 1 1 A 61 61 PHE N N 61 118.838 118.720 0.118 1
1 698 . 12 1 1 A 62 62 SER H H 62 8.179 8.491 -0.312 1
1 699 . 12 1 1 A 62 62 SER HA H 62 4.134 4.177 -0.043 1
1 702 . 12 1 1 A 62 62 SER C C 62 177.996 176.861 1.135 1
1 703 . 12 1 1 A 62 62 SER CA C 62 62.064 62.482 -0.418 1
1 704 . 12 1 1 A 62 62 SER CB C 62 62.890 62.618 0.272 1
1 705 . 12 1 1 A 62 62 SER N N 62 113.145 115.680 -2.535 1
1 706 . 12 1 1 A 63 63 GLU H H 63 8.027 7.904 0.123 1
1 707 . 12 1 1 A 63 63 GLU HA H 63 3.910 3.932 -0.022 1
1 711 . 12 1 1 A 63 63 GLU C C 63 178.729 179.061 -0.332 1
1 712 . 12 1 1 A 63 63 GLU CA C 63 58.637 59.386 -0.749 1
1 713 . 12 1 1 A 63 63 GLU CB C 63 29.188 29.181 0.007 1
1 715 . 12 1 1 A 63 63 GLU N N 63 120.533 121.308 -0.775 1
1 716 . 12 1 1 A 64 64 ARG H H 64 8.166 7.498 0.668 1
1 717 . 12 1 1 A 64 64 ARG HA H 64 3.498 3.448 0.050 1
1 725 . 12 1 1 A 64 64 ARG C C 64 179.466 178.985 0.481 1
1 726 . 12 1 1 A 64 64 ARG CA C 64 56.502 58.883 -2.381 1
1 727 . 12 1 1 A 64 64 ARG CB C 64 28.148 28.821 -0.673 1
1 730 . 12 1 1 A 64 64 ARG N N 64 122.505 120.049 2.456 1
1 732 . 12 1 1 A 65 65 ARG H H 65 8.002 7.685 0.317 1
1 733 . 12 1 1 A 65 65 ARG HA H 65 4.086 4.290 -0.204 1
1 740 . 12 1 1 A 65 65 ARG C C 65 177.832 178.725 -0.893 1
1 741 . 12 1 1 A 65 65 ARG CA C 65 60.054 59.391 0.663 1
1 742 . 12 1 1 A 65 65 ARG CB C 65 31.425 30.148 1.277 1
1 745 . 12 1 1 A 65 65 ARG N N 65 117.887 118.364 -0.477 1
1 746 . 12 1 1 A 66 66 LYS H H 66 7.356 7.649 -0.293 1
1 747 . 12 1 1 A 66 66 LYS HA H 66 4.141 4.048 0.093 1
1 753 . 12 1 1 A 66 66 LYS C C 66 178.353 178.994 -0.641 1
1 754 . 12 1 1 A 66 66 LYS CA C 66 58.444 59.058 -0.614 1
1 755 . 12 1 1 A 66 66 LYS CB C 66 32.288 32.229 0.059 1
1 759 . 12 1 1 A 66 66 LYS N N 66 118.479 119.992 -1.513 1
1 760 . 12 1 1 A 67 67 LEU H H 67 7.604 7.702 -0.098 1
1 761 . 12 1 1 A 67 67 LEU HA H 67 4.143 3.927 0.216 1
1 771 . 12 1 1 A 67 67 LEU C C 67 178.510 178.694 -0.184 1
1 772 . 12 1 1 A 67 67 LEU CA C 67 56.712 58.209 -1.497 1
1 773 . 12 1 1 A 67 67 LEU CB C 67 41.857 41.516 0.341 1
1 777 . 12 1 1 A 67 67 LEU N N 67 120.424 117.921 2.503 1
1 778 . 12 1 1 A 68 68 ARG H H 68 7.914 7.952 -0.038 1
1 779 . 12 1 1 A 68 68 ARG HA H 68 4.262 3.923 0.339 1
1 786 . 12 1 1 A 68 68 ARG C C 68 177.396 178.270 -0.874 1
1 787 . 12 1 1 A 68 68 ARG CA C 68 57.589 59.357 -1.768 1
1 788 . 12 1 1 A 68 68 ARG CB C 68 30.211 29.896 0.315 1
1 791 . 12 1 1 A 68 68 ARG N N 68 120.638 119.576 1.062 1
1 792 . 12 1 1 A 69 69 ASP H H 69 8.337 8.178 0.159 1
1 793 . 12 1 1 A 69 69 ASP HA H 69 4.592 4.554 0.038 1
1 796 . 12 1 1 A 69 69 ASP C C 69 176.826 177.075 -0.249 1
1 797 . 12 1 1 A 69 69 ASP CA C 69 55.527 56.898 -1.371 1
1 798 . 12 1 1 A 69 69 ASP CB C 69 40.833 40.611 0.222 1
1 799 . 12 1 1 A 69 69 ASP N N 69 119.845 118.591 1.254 1
1 800 . 12 1 1 A 70 70 SER H H 70 8.002 8.134 -0.132 1
1 801 . 12 1 1 A 70 70 SER HA H 70 4.473 4.146 0.327 1
1 804 . 12 1 1 A 70 70 SER C C 70 174.524 175.391 -0.867 1
1 805 . 12 1 1 A 70 70 SER CA C 70 59.070 58.892 0.178 1
1 806 . 12 1 1 A 70 70 SER CB C 70 63.887 63.496 0.391 1
1 807 . 12 1 1 A 70 70 SER N N 70 114.740 114.027 0.713 1
1 808 . 12 1 1 A 71 71 MET H H 71 8.117 8.893 -0.776 1
1 809 . 12 1 1 A 71 71 MET HA H 71 4.559 4.083 0.476 1
1 817 . 12 1 1 A 71 71 MET C C 71 175.392 175.972 -0.580 1
1 818 . 12 1 1 A 71 71 MET CA C 71 55.711 56.248 -0.537 1
1 819 . 12 1 1 A 71 71 MET CB C 71 33.246 31.896 1.350 1
1 822 . 12 1 1 A 71 71 MET N N 71 121.694 125.614 -3.920 1
1 823 . 12 1 1 A 72 72 GLU HA H 72 4.245 4.362 -0.117 1
1 827 . 12 1 1 A 72 72 GLU C C 72 177.767 176.143 1.624 1
1 828 . 12 1 1 A 72 72 GLU CA C 72 57.871 55.892 1.979 1
1 829 . 12 1 1 A 72 72 GLU CB C 72 29.798 30.890 -1.092 1
1 831 . 12 1 1 A 73 73 GLN H H 73 8.210 8.369 -0.159 1
1 832 . 12 1 1 A 73 73 GLN HA H 73 4.177 4.315 -0.138 1
1 836 . 12 1 1 A 73 73 GLN C C 73 176.422 175.674 0.748 1
1 837 . 12 1 1 A 73 73 GLN CA C 73 56.899 56.118 0.781 1
1 838 . 12 1 1 A 73 73 GLN CB C 73 28.852 29.023 -0.171 1
1 840 . 12 1 1 A 73 73 GLN N N 73 120.076 122.117 -2.041 1
1 841 . 12 1 1 A 74 74 ALA H H 74 8.099 8.856 -0.757 1
1 842 . 12 1 1 A 74 74 ALA HA H 74 4.239 4.762 -0.523 1
1 846 . 12 1 1 A 74 74 ALA C C 74 178.960 175.415 3.545 1
1 847 . 12 1 1 A 74 74 ALA CA C 74 53.837 51.289 2.548 1
1 848 . 12 1 1 A 74 74 ALA CB C 74 18.794 23.047 -4.253 1
1 849 . 12 1 1 A 74 74 ALA N N 74 123.168 123.331 -0.163 1
1 850 . 12 1 1 A 75 75 VAL H H 75 7.886 8.664 -0.778 1
1 851 . 12 1 1 A 75 75 VAL HA H 75 3.985 4.509 -0.524 1
1 859 . 12 1 1 A 75 75 VAL C C 75 177.376 175.561 1.815 1
1 860 . 12 1 1 A 75 75 VAL CA C 75 63.895 61.738 2.157 1
1 861 . 12 1 1 A 75 75 VAL CB C 75 32.450 32.321 0.129 1
1 864 . 12 1 1 A 75 75 VAL N N 75 119.018 118.597 0.421 1
1 865 . 12 1 1 A 76 76 LEU H H 76 8.074 8.637 -0.563 1
1 866 . 12 1 1 A 76 76 LEU HA H 76 4.291 4.813 -0.522 1
1 876 . 12 1 1 A 76 76 LEU C C 76 178.363 175.948 2.415 1
1 877 . 12 1 1 A 76 76 LEU CA C 76 56.247 53.515 2.732 1
1 878 . 12 1 1 A 76 76 LEU CB C 76 42.342 45.832 -3.490 1
1 882 . 12 1 1 A 76 76 LEU N N 76 124.324 126.796 -2.472 1
1 883 . 12 1 1 A 77 77 ASP H H 77 8.443 8.602 -0.159 1
1 884 . 12 1 1 A 77 77 ASP HA H 77 4.593 4.716 -0.123 1
1 887 . 12 1 1 A 77 77 ASP C C 77 177.224 175.692 1.532 1
1 888 . 12 1 1 A 77 77 ASP CA C 77 55.364 53.206 2.158 1
1 889 . 12 1 1 A 77 77 ASP CB C 77 40.970 41.324 -0.354 1
1 890 . 12 1 1 A 77 77 ASP N N 77 120.595 123.305 -2.710 1
1 891 . 12 1 1 A 78 78 SER H H 78 8.121 8.639 -0.518 1
1 892 . 12 1 1 A 78 78 SER HA H 78 4.421 4.630 -0.209 1
1 894 . 12 1 1 A 78 78 SER C C 78 175.244 174.204 1.040 1
1 895 . 12 1 1 A 78 78 SER CA C 78 58.809 58.051 0.758 1
1 896 . 12 1 1 A 78 78 SER CB C 78 63.674 63.247 0.427 1
1 897 . 12 1 1 A 78 78 SER N N 78 115.700 116.860 -1.160 1
1 898 . 12 1 1 A 79 79 MET H H 79 8.202 8.458 -0.256 1
1 899 . 12 1 1 A 79 79 MET HA H 79 4.525 5.009 -0.484 1
1 903 . 12 1 1 A 79 79 MET C C 79 177.199 176.722 0.477 1
1 904 . 12 1 1 A 79 79 MET CA C 79 56.010 53.697 2.313 1
1 905 . 12 1 1 A 79 79 MET CB C 79 32.610 35.177 -2.567 1
1 907 . 12 1 1 A 79 79 MET N N 79 121.204 124.723 -3.519 1
1 908 . 12 1 1 A 80 80 GLY H H 80 8.268 8.651 -0.383 1
1 909 . 12 1 1 A 80 80 GLY C C 80 174.529 173.535 0.994 1
1 910 . 12 1 1 A 80 80 GLY CA C 80 45.637 47.148 -1.511 1
1 911 . 12 1 1 A 80 80 GLY N N 80 109.108 110.128 -1.020 1
1 912 . 12 1 1 A 81 81 SER HA H 81 4.478 5.144 -0.666 1
1 915 . 12 1 1 A 81 81 SER C C 81 175.336 173.910 1.426 1
1 916 . 12 1 1 A 81 81 SER CA C 81 58.701 56.784 1.917 1
1 917 . 12 1 1 A 81 81 SER CB C 81 63.977 66.289 -2.312 1
1 918 . 12 1 1 A 82 82 GLY H H 82 8.526 8.530 -0.004 1
1 919 . 12 1 1 A 82 82 GLY HA2 H 82 4.018 4.022 -0.004 1
1 920 . 12 1 1 A 82 82 GLY HA3 H 82 4.018 4.022 -0.004 1
1 921 . 12 1 1 A 82 82 GLY C C 82 174.290 175.614 -1.324 1
1 922 . 12 1 1 A 82 82 GLY CA C 82 45.485 46.519 -1.034 1
1 923 . 12 1 1 A 82 82 GLY N N 82 110.928 111.877 -0.949 1
1 924 . 12 1 1 A 83 83 LYS H H 83 8.159 8.074 0.085 1
1 925 . 12 1 1 A 83 83 LYS C C 83 176.692 176.960 -0.268 1
1 926 . 12 1 1 A 83 83 LYS CA C 83 56.216 58.987 -2.771 1
1 927 . 12 1 1 A 83 83 LYS CB C 83 33.201 32.218 0.983 1
1 928 . 12 1 1 A 83 83 LYS N N 83 120.759 120.060 0.699 1
1 929 . 12 1 1 A 88 88 SER HA H 88 4.509 4.178 0.331 1
1 932 . 12 1 1 A 88 88 SER C C 88 173.946 175.536 -1.590 1
1 933 . 12 1 1 A 88 88 SER CA C 88 58.432 60.449 -2.017 1
1 934 . 12 1 1 A 88 88 SER CB C 88 64.208 63.650 0.558 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.940 4.031 -0.091 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.940 4.031 -0.091 1
1 3 . 13 1 1 A 7 7 GLY C C 7 173.532 174.749 -1.217 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.255 46.148 -0.893 1
1 5 . 13 1 1 A 8 8 ALA H H 8 8.010 8.143 -0.133 1
1 6 . 13 1 1 A 8 8 ALA HA H 8 4.259 4.085 0.174 1
1 10 . 13 1 1 A 8 8 ALA C C 8 176.987 177.246 -0.259 1
1 11 . 13 1 1 A 8 8 ALA CA C 8 52.334 53.183 -0.849 1
1 12 . 13 1 1 A 8 8 ALA CB C 8 19.389 17.330 2.059 1
1 13 . 13 1 1 A 8 8 ALA N N 8 123.317 122.376 0.941 1
1 14 . 13 1 1 A 9 9 TYR H H 9 8.110 8.127 -0.017 1
1 15 . 13 1 1 A 9 9 TYR HA H 9 4.832 4.343 0.489 1
1 22 . 13 1 1 A 9 9 TYR C C 9 174.112 175.295 -1.183 1
1 23 . 13 1 1 A 9 9 TYR CA C 9 55.642 62.486 -6.844 1
1 24 . 13 1 1 A 9 9 TYR CB C 9 38.292 37.587 0.705 1
1 29 . 13 1 1 A 9 9 TYR N N 9 120.065 117.204 2.861 1
1 30 . 13 1 1 A 10 10 PRO HA H 10 4.377 3.940 0.437 1
1 36 . 13 1 1 A 10 10 PRO C C 10 176.388 176.573 -0.185 1
1 37 . 13 1 1 A 10 10 PRO CA C 10 63.332 62.660 0.672 1
1 38 . 13 1 1 A 10 10 PRO CB C 10 31.985 31.850 0.135 1
1 41 . 13 1 1 A 11 11 ASP H H 11 8.249 8.273 -0.024 1
1 42 . 13 1 1 A 11 11 ASP HA H 11 4.537 5.045 -0.508 1
1 45 . 13 1 1 A 11 11 ASP C C 11 175.893 175.845 0.048 1
1 46 . 13 1 1 A 11 11 ASP CA C 11 54.410 53.342 1.068 1
1 47 . 13 1 1 A 11 11 ASP CB C 11 41.149 42.384 -1.235 1
1 48 . 13 1 1 A 11 11 ASP N N 11 119.884 121.141 -1.257 1
1 49 . 13 1 1 A 12 12 PHE H H 12 8.028 8.919 -0.891 1
1 50 . 13 1 1 A 12 12 PHE HA H 12 4.616 5.312 -0.696 1
1 55 . 13 1 1 A 12 12 PHE C C 12 175.001 173.835 1.166 1
1 56 . 13 1 1 A 12 12 PHE CA C 12 57.417 55.361 2.056 1
1 57 . 13 1 1 A 12 12 PHE CB C 12 39.577 41.198 -1.621 1
1 60 . 13 1 1 A 12 12 PHE N N 12 119.972 123.017 -3.045 1
1 61 . 13 1 1 A 13 13 ALA H H 13 8.118 8.456 -0.338 1
1 62 . 13 1 1 A 13 13 ALA HA H 13 4.570 4.577 -0.007 1
1 66 . 13 1 1 A 13 13 ALA C C 13 175.002 174.221 0.781 1
1 67 . 13 1 1 A 13 13 ALA CA C 13 50.500 49.278 1.222 1
1 68 . 13 1 1 A 13 13 ALA CB C 13 18.532 22.248 -3.716 1
1 69 . 13 1 1 A 13 13 ALA N N 13 126.968 129.301 -2.333 1
1 70 . 13 1 1 A 14 14 PRO HA H 14 4.349 4.447 -0.098 1
1 76 . 13 1 1 A 14 14 PRO C C 14 177.054 175.885 1.169 1
1 77 . 13 1 1 A 14 14 PRO CA C 14 63.380 62.500 0.880 1
1 78 . 13 1 1 A 14 14 PRO CB C 14 31.960 33.283 -1.323 1
1 81 . 13 1 1 A 15 15 GLN H H 15 8.411 8.514 -0.103 1
1 82 . 13 1 1 A 15 15 GLN HA H 15 4.221 4.899 -0.678 1
1 88 . 13 1 1 A 15 15 GLN C C 15 175.815 173.332 2.483 1
1 89 . 13 1 1 A 15 15 GLN CA C 15 55.929 54.489 1.440 1
1 90 . 13 1 1 A 15 15 GLN CB C 15 29.270 32.629 -3.359 1
1 92 . 13 1 1 A 15 15 GLN N N 15 120.172 116.263 3.909 1
1 94 . 13 1 1 A 16 16 LYS H H 16 8.171 8.270 -0.099 1
1 95 . 13 1 1 A 16 16 LYS HA H 16 4.234 5.078 -0.844 1
1 102 . 13 1 1 A 16 16 LYS C C 16 176.196 175.472 0.724 1
1 103 . 13 1 1 A 16 16 LYS CA C 16 56.236 54.576 1.660 1
1 104 . 13 1 1 A 16 16 LYS CB C 16 33.171 36.975 -3.804 1
1 108 . 13 1 1 A 16 16 LYS N N 16 122.238 119.797 2.441 1
1 109 . 13 1 1 A 17 17 PHE H H 17 8.257 8.964 -0.707 1
1 110 . 13 1 1 A 17 17 PHE HA H 17 4.715 5.073 -0.358 1
1 117 . 13 1 1 A 17 17 PHE C C 17 175.737 174.184 1.553 1
1 118 . 13 1 1 A 17 17 PHE CA C 17 57.341 56.455 0.886 1
1 119 . 13 1 1 A 17 17 PHE CB C 17 39.776 43.089 -3.313 1
1 124 . 13 1 1 A 17 17 PHE N N 17 121.572 118.643 2.929 1
1 125 . 13 1 1 A 18 18 LYS H H 18 8.411 8.825 -0.414 1
1 126 . 13 1 1 A 18 18 LYS HA H 18 4.285 4.854 -0.569 1
1 132 . 13 1 1 A 18 18 LYS C C 18 176.317 175.227 1.090 1
1 133 . 13 1 1 A 18 18 LYS CA C 18 56.146 55.615 0.531 1
1 134 . 13 1 1 A 18 18 LYS CB C 18 33.269 33.927 -0.658 1
1 138 . 13 1 1 A 18 18 LYS N N 18 123.072 124.008 -0.936 1
1 139 . 13 1 1 A 19 19 GLU H H 19 8.494 8.952 -0.458 1
1 140 . 13 1 1 A 19 19 GLU HA H 19 4.243 5.177 -0.934 1
1 144 . 13 1 1 A 19 19 GLU C C 19 176.811 175.635 1.176 1
1 145 . 13 1 1 A 19 19 GLU CA C 19 56.916 54.475 2.441 1
1 146 . 13 1 1 A 19 19 GLU CB C 19 30.158 33.518 -3.360 1
1 148 . 13 1 1 A 19 19 GLU N N 19 123.032 125.662 -2.630 1
1 149 . 13 1 1 A 20 20 LYS H H 20 8.530 8.407 0.123 1
1 150 . 13 1 1 A 20 20 LYS HA H 20 4.560 4.503 0.057 1
1 159 . 13 1 1 A 20 20 LYS C C 20 177.491 176.837 0.654 1
1 160 . 13 1 1 A 20 20 LYS CA C 20 56.105 56.388 -0.283 1
1 161 . 13 1 1 A 20 20 LYS CB C 20 34.248 33.329 0.919 1
1 165 . 13 1 1 A 20 20 LYS N N 20 123.545 125.687 -2.142 1
1 166 . 13 1 1 A 21 21 THR H H 21 8.868 8.708 0.160 1
1 167 . 13 1 1 A 21 21 THR HA H 21 4.448 4.691 -0.243 1
1 172 . 13 1 1 A 21 21 THR C C 21 175.491 175.892 -0.401 1
1 173 . 13 1 1 A 21 21 THR CA C 21 60.686 60.515 0.171 1
1 174 . 13 1 1 A 21 21 THR CB C 21 70.760 70.842 -0.082 1
1 176 . 13 1 1 A 21 21 THR N N 21 113.437 113.336 0.101 1
1 177 . 13 1 1 A 22 22 GLN H H 22 8.993 9.021 -0.028 1
1 178 . 13 1 1 A 22 22 GLN HA H 22 4.055 3.961 0.094 1
1 183 . 13 1 1 A 22 22 GLN C C 22 178.882 178.911 -0.029 1
1 184 . 13 1 1 A 22 22 GLN CA C 22 58.899 58.747 0.152 1
1 185 . 13 1 1 A 22 22 GLN CB C 22 28.366 28.544 -0.178 1
1 187 . 13 1 1 A 22 22 GLN N N 22 120.458 121.853 -1.395 1
1 188 . 13 1 1 A 23 23 GLY H H 23 8.580 8.423 0.157 1
1 189 . 13 1 1 A 23 23 GLY HA2 H 23 3.843 3.735 0.108 1
1 190 . 13 1 1 A 23 23 GLY HA3 H 23 3.843 3.736 0.107 1
1 191 . 13 1 1 A 23 23 GLY C C 23 176.518 175.814 0.704 1
1 192 . 13 1 1 A 23 23 GLY CA C 23 46.750 47.369 -0.619 1
1 193 . 13 1 1 A 23 23 GLY N N 23 107.047 109.621 -2.574 1
1 194 . 13 1 1 A 24 24 GLN H H 24 7.771 7.537 0.234 1
1 195 . 13 1 1 A 24 24 GLN HA H 24 3.844 3.931 -0.087 1
1 202 . 13 1 1 A 24 24 GLN C C 24 177.564 178.440 -0.876 1
1 203 . 13 1 1 A 24 24 GLN CA C 24 59.397 58.798 0.599 1
1 204 . 13 1 1 A 24 24 GLN CB C 24 29.250 28.426 0.824 1
1 206 . 13 1 1 A 24 24 GLN N N 24 120.555 121.069 -0.514 1
1 208 . 13 1 1 A 25 25 VAL H H 25 8.029 8.016 0.013 1
1 209 . 13 1 1 A 25 25 VAL HA H 25 3.163 3.350 -0.187 1
1 217 . 13 1 1 A 25 25 VAL C C 25 176.630 177.838 -1.208 1
1 218 . 13 1 1 A 25 25 VAL CA C 25 66.856 66.695 0.161 1
1 219 . 13 1 1 A 25 25 VAL CB C 25 31.543 31.467 0.076 1
1 222 . 13 1 1 A 25 25 VAL N N 25 117.187 120.101 -2.914 1
1 223 . 13 1 1 A 26 26 LYS H H 26 7.924 8.392 -0.468 1
1 224 . 13 1 1 A 26 26 LYS HA H 26 3.995 3.878 0.117 1
1 230 . 13 1 1 A 26 26 LYS C C 26 178.199 178.476 -0.277 1
1 231 . 13 1 1 A 26 26 LYS CA C 26 59.506 60.282 -0.776 1
1 232 . 13 1 1 A 26 26 LYS CB C 26 32.209 32.150 0.059 1
1 236 . 13 1 1 A 26 26 LYS N N 26 119.341 120.024 -0.683 1
1 237 . 13 1 1 A 27 27 ILE H H 27 7.033 7.708 -0.675 1
1 238 . 13 1 1 A 27 27 ILE HA H 27 3.706 3.650 0.056 1
1 248 . 13 1 1 A 27 27 ILE C C 27 179.280 178.755 0.525 1
1 249 . 13 1 1 A 27 27 ILE CA C 27 64.803 65.111 -0.308 1
1 250 . 13 1 1 A 27 27 ILE CB C 27 38.361 37.321 1.040 1
1 254 . 13 1 1 A 27 27 ILE N N 27 117.901 120.107 -2.206 1
1 255 . 13 1 1 A 28 28 LEU H H 28 7.400 7.638 -0.238 1
1 256 . 13 1 1 A 28 28 LEU HA H 28 3.563 3.902 -0.339 1
1 266 . 13 1 1 A 28 28 LEU C C 28 177.369 178.675 -1.306 1
1 267 . 13 1 1 A 28 28 LEU CA C 28 58.256 57.863 0.393 1
1 268 . 13 1 1 A 28 28 LEU CB C 28 37.957 40.898 -2.941 1
1 272 . 13 1 1 A 28 28 LEU N N 28 121.290 119.852 1.438 1
1 273 . 13 1 1 A 29 29 GLU H H 29 8.880 8.610 0.270 1
1 274 . 13 1 1 A 29 29 GLU HA H 29 4.327 4.046 0.281 1
1 278 . 13 1 1 A 29 29 GLU C C 29 179.216 178.825 0.391 1
1 279 . 13 1 1 A 29 29 GLU CA C 29 59.430 59.997 -0.567 1
1 280 . 13 1 1 A 29 29 GLU CB C 29 29.276 29.195 0.081 1
1 282 . 13 1 1 A 29 29 GLU N N 29 120.487 117.564 2.923 1
1 283 . 13 1 1 A 30 30 ASP H H 30 8.313 8.411 -0.098 1
1 284 . 13 1 1 A 30 30 ASP HA H 30 4.422 4.408 0.014 1
1 287 . 13 1 1 A 30 30 ASP C C 30 179.036 178.459 0.577 1
1 288 . 13 1 1 A 30 30 ASP CA C 30 57.388 57.795 -0.407 1
1 289 . 13 1 1 A 30 30 ASP CB C 30 40.547 42.008 -1.461 1
1 290 . 13 1 1 A 30 30 ASP N N 30 118.471 119.956 -1.485 1
1 291 . 13 1 1 A 31 31 SER H H 31 7.406 7.654 -0.248 1
1 292 . 13 1 1 A 31 31 SER HA H 31 4.290 4.228 0.062 1
1 295 . 13 1 1 A 31 31 SER C C 31 177.290 175.988 1.302 1
1 296 . 13 1 1 A 31 31 SER CA C 31 61.575 62.545 -0.970 1
1 297 . 13 1 1 A 31 31 SER CB C 31 63.167 63.126 0.041 1
1 298 . 13 1 1 A 31 31 SER N N 31 113.187 116.580 -3.393 1
1 299 . 13 1 1 A 32 32 PHE H H 32 9.117 8.398 0.719 1
1 300 . 13 1 1 A 32 32 PHE HA H 32 4.369 4.431 -0.062 1
1 308 . 13 1 1 A 32 32 PHE C C 32 176.545 177.231 -0.686 1
1 309 . 13 1 1 A 32 32 PHE CA C 32 61.569 61.640 -0.071 1
1 310 . 13 1 1 A 32 32 PHE CB C 32 39.362 39.211 0.151 1
1 316 . 13 1 1 A 32 32 PHE N N 32 121.840 122.912 -1.072 1
1 317 . 13 1 1 A 33 33 LEU H H 33 8.235 8.829 -0.594 1
1 318 . 13 1 1 A 33 33 LEU HA H 33 3.965 4.006 -0.041 1
1 328 . 13 1 1 A 33 33 LEU C C 33 179.575 179.274 0.301 1
1 329 . 13 1 1 A 33 33 LEU CA C 33 56.998 58.370 -1.372 1
1 330 . 13 1 1 A 33 33 LEU CB C 33 42.053 41.711 0.342 1
1 334 . 13 1 1 A 33 33 LEU N N 33 115.363 120.006 -4.643 1
1 335 . 13 1 1 A 34 34 LYS H H 34 7.509 7.704 -0.195 1
1 336 . 13 1 1 A 34 34 LYS HA H 34 4.174 4.181 -0.007 1
1 343 . 13 1 1 A 34 34 LYS C C 34 178.190 176.979 1.211 1
1 344 . 13 1 1 A 34 34 LYS CA C 34 58.819 58.224 0.595 1
1 345 . 13 1 1 A 34 34 LYS CB C 34 32.352 33.411 -1.059 1
1 349 . 13 1 1 A 34 34 LYS N N 34 119.688 117.161 2.527 1
1 350 . 13 1 1 A 35 35 SER H H 35 8.130 8.117 0.013 1
1 351 . 13 1 1 A 35 35 SER HA H 35 4.379 4.588 -0.209 1
1 354 . 13 1 1 A 35 35 SER C C 35 174.000 174.376 -0.376 1
1 355 . 13 1 1 A 35 35 SER CA C 35 58.202 56.551 1.651 1
1 356 . 13 1 1 A 35 35 SER CB C 35 64.375 65.261 -0.886 1
1 357 . 13 1 1 A 35 35 SER N N 35 112.275 111.560 0.715 1
1 358 . 13 1 1 A 36 36 SER H H 36 8.404 8.487 -0.083 1
1 359 . 13 1 1 A 36 36 SER HA H 36 3.952 2.767 1.185 1
1 362 . 13 1 1 A 36 36 SER C C 36 172.467 174.588 -2.121 1
1 363 . 13 1 1 A 36 36 SER CA C 36 59.127 60.571 -1.444 1
1 364 . 13 1 1 A 36 36 SER CB C 36 63.788 61.953 1.835 1
1 365 . 13 1 1 A 36 36 SER N N 36 121.307 120.792 0.515 1
1 366 . 13 1 1 A 37 37 PHE H H 37 7.735 7.588 0.147 1
1 367 . 13 1 1 A 37 37 PHE HA H 37 4.859 4.999 -0.140 1
1 375 . 13 1 1 A 37 37 PHE C C 37 172.549 173.991 -1.442 1
1 376 . 13 1 1 A 37 37 PHE CA C 37 55.604 55.372 0.232 1
1 377 . 13 1 1 A 37 37 PHE CB C 37 39.842 38.928 0.914 1
1 383 . 13 1 1 A 37 37 PHE N N 37 118.373 120.165 -1.792 1
1 384 . 13 1 1 A 38 38 PRO HA H 38 4.391 4.670 -0.279 1
1 391 . 13 1 1 A 38 38 PRO C C 38 177.660 176.072 1.588 1
1 392 . 13 1 1 A 38 38 PRO CA C 38 62.193 62.388 -0.195 1
1 393 . 13 1 1 A 38 38 PRO CB C 38 31.490 33.078 -1.588 1
1 396 . 13 1 1 A 39 39 THR H H 39 7.809 8.298 -0.489 1
1 397 . 13 1 1 A 39 39 THR HA H 39 4.322 4.883 -0.561 1
1 402 . 13 1 1 A 39 39 THR C C 39 174.966 175.939 -0.973 1
1 403 . 13 1 1 A 39 39 THR CA C 39 60.648 59.390 1.258 1
1 404 . 13 1 1 A 39 39 THR CB C 39 71.192 71.786 -0.594 1
1 406 . 13 1 1 A 39 39 THR N N 39 111.373 111.867 -0.494 1
1 407 . 13 1 1 A 40 40 GLN H H 40 8.880 9.031 -0.151 1
1 408 . 13 1 1 A 40 40 GLN HA H 40 3.907 3.987 -0.080 1
1 414 . 13 1 1 A 40 40 GLN C C 40 177.855 178.421 -0.566 1
1 415 . 13 1 1 A 40 40 GLN CA C 40 59.243 59.234 0.009 1
1 416 . 13 1 1 A 40 40 GLN CB C 40 28.107 28.435 -0.328 1
1 418 . 13 1 1 A 40 40 GLN N N 40 120.143 121.035 -0.892 1
1 420 . 13 1 1 A 41 41 ALA H H 41 8.286 8.019 0.267 1
1 421 . 13 1 1 A 41 41 ALA HA H 41 4.212 4.021 0.191 1
1 425 . 13 1 1 A 41 41 ALA C C 41 180.741 178.989 1.752 1
1 426 . 13 1 1 A 41 41 ALA CA C 41 55.009 55.397 -0.388 1
1 427 . 13 1 1 A 41 41 ALA CB C 41 18.111 18.239 -0.128 1
1 428 . 13 1 1 A 41 41 ALA N N 41 119.773 121.932 -2.159 1
1 429 . 13 1 1 A 42 42 GLU H H 42 7.772 8.209 -0.437 1
1 430 . 13 1 1 A 42 42 GLU HA H 42 4.673 4.002 0.671 1
1 435 . 13 1 1 A 42 42 GLU C C 42 178.478 178.696 -0.218 1
1 436 . 13 1 1 A 42 42 GLU CA C 42 57.730 59.714 -1.984 1
1 437 . 13 1 1 A 42 42 GLU CB C 42 28.610 29.566 -0.956 1
1 439 . 13 1 1 A 42 42 GLU N N 42 122.141 118.324 3.817 1
1 440 . 13 1 1 A 43 43 LEU H H 43 8.472 8.157 0.315 1
1 441 . 13 1 1 A 43 43 LEU HA H 43 3.924 3.850 0.074 1
1 451 . 13 1 1 A 43 43 LEU C C 43 179.842 178.600 1.242 1
1 452 . 13 1 1 A 43 43 LEU CA C 43 58.828 57.708 1.120 1
1 453 . 13 1 1 A 43 43 LEU CB C 43 41.540 41.576 -0.036 1
1 457 . 13 1 1 A 43 43 LEU N N 43 121.542 120.630 0.912 1
1 458 . 13 1 1 A 44 44 ASP H H 44 8.384 7.911 0.473 1
1 459 . 13 1 1 A 44 44 ASP HA H 44 4.447 4.238 0.209 1
1 462 . 13 1 1 A 44 44 ASP C C 44 178.428 178.883 -0.455 1
1 463 . 13 1 1 A 44 44 ASP CA C 44 57.812 57.515 0.297 1
1 464 . 13 1 1 A 44 44 ASP CB C 44 40.226 41.022 -0.796 1
1 465 . 13 1 1 A 44 44 ASP N N 44 119.756 118.421 1.335 1
1 466 . 13 1 1 A 45 45 ARG H H 45 7.979 7.978 0.001 1
1 467 . 13 1 1 A 45 45 ARG HA H 45 4.058 4.164 -0.106 1
1 475 . 13 1 1 A 45 45 ARG C C 45 179.249 178.793 0.456 1
1 476 . 13 1 1 A 45 45 ARG CA C 45 59.629 58.362 1.267 1
1 477 . 13 1 1 A 45 45 ARG CB C 45 30.553 29.623 0.930 1
1 480 . 13 1 1 A 45 45 ARG N N 45 123.029 120.005 3.024 1
1 482 . 13 1 1 A 46 46 LEU H H 46 8.943 8.453 0.490 1
1 483 . 13 1 1 A 46 46 LEU HA H 46 3.922 3.975 -0.053 1
1 493 . 13 1 1 A 46 46 LEU C C 46 180.973 179.065 1.908 1
1 494 . 13 1 1 A 46 46 LEU CA C 46 57.885 57.873 0.012 1
1 495 . 13 1 1 A 46 46 LEU CB C 46 42.943 41.200 1.743 1
1 499 . 13 1 1 A 46 46 LEU N N 46 118.282 119.893 -1.611 1
1 500 . 13 1 1 A 47 47 ARG H H 47 8.421 8.524 -0.103 1
1 501 . 13 1 1 A 47 47 ARG HA H 47 4.050 3.947 0.103 1
1 508 . 13 1 1 A 47 47 ARG C C 47 178.760 178.395 0.365 1
1 509 . 13 1 1 A 47 47 ARG CA C 47 60.366 59.307 1.059 1
1 510 . 13 1 1 A 47 47 ARG CB C 47 29.957 30.011 -0.054 1
1 513 . 13 1 1 A 47 47 ARG N N 47 125.416 117.224 8.192 1
1 514 . 13 1 1 A 48 48 VAL H H 48 7.626 7.684 -0.058 1
1 515 . 13 1 1 A 48 48 VAL HA H 48 3.700 3.698 0.002 1
1 523 . 13 1 1 A 48 48 VAL C C 48 178.628 177.617 1.011 1
1 524 . 13 1 1 A 48 48 VAL CA C 48 66.325 65.132 1.193 1
1 525 . 13 1 1 A 48 48 VAL CB C 48 31.902 31.360 0.542 1
1 528 . 13 1 1 A 48 48 VAL N N 48 119.769 119.649 0.120 1
1 529 . 13 1 1 A 49 49 GLU H H 49 8.419 8.413 0.006 1
1 530 . 13 1 1 A 49 49 GLU HA H 49 4.202 4.010 0.192 1
1 534 . 13 1 1 A 49 49 GLU C C 49 178.866 178.723 0.143 1
1 535 . 13 1 1 A 49 49 GLU CA C 49 59.062 59.363 -0.301 1
1 536 . 13 1 1 A 49 49 GLU CB C 49 30.950 29.442 1.508 1
1 538 . 13 1 1 A 49 49 GLU N N 49 116.074 121.136 -5.062 1
1 539 . 13 1 1 A 50 50 THR H H 50 8.436 8.212 0.224 1
1 540 . 13 1 1 A 50 50 THR HA H 50 4.335 4.247 0.088 1
1 545 . 13 1 1 A 50 50 THR C C 50 175.412 174.272 1.140 1
1 546 . 13 1 1 A 50 50 THR CA C 50 63.447 62.526 0.921 1
1 547 . 13 1 1 A 50 50 THR CB C 50 71.702 69.418 2.284 1
1 549 . 13 1 1 A 50 50 THR N N 50 105.198 110.482 -5.284 1
1 550 . 13 1 1 A 51 51 LYS H H 51 7.745 7.885 -0.140 1
1 551 . 13 1 1 A 51 51 LYS HA H 51 4.032 3.773 0.259 1
1 559 . 13 1 1 A 51 51 LYS C C 51 175.949 174.724 1.225 1
1 560 . 13 1 1 A 51 51 LYS CA C 51 58.428 57.336 1.092 1
1 561 . 13 1 1 A 51 51 LYS CB C 51 29.225 29.247 -0.022 1
1 565 . 13 1 1 A 51 51 LYS N N 51 114.904 116.871 -1.967 1
1 566 . 13 1 1 A 52 52 LEU H H 52 7.679 7.793 -0.114 1
1 567 . 13 1 1 A 52 52 LEU HA H 52 4.519 4.902 -0.383 1
1 577 . 13 1 1 A 52 52 LEU C C 52 176.301 175.781 0.520 1
1 578 . 13 1 1 A 52 52 LEU CA C 52 53.820 53.077 0.743 1
1 579 . 13 1 1 A 52 52 LEU CB C 52 43.987 45.735 -1.748 1
1 583 . 13 1 1 A 52 52 LEU N N 52 120.156 118.706 1.450 1
1 584 . 13 1 1 A 53 53 SER H H 53 8.599 8.811 -0.212 1
1 585 . 13 1 1 A 53 53 SER HA H 53 4.454 4.673 -0.219 1
1 588 . 13 1 1 A 53 53 SER C C 53 175.265 175.599 -0.334 1
1 589 . 13 1 1 A 53 53 SER CA C 53 57.586 57.187 0.399 1
1 590 . 13 1 1 A 53 53 SER CB C 53 65.402 65.101 0.301 1
1 591 . 13 1 1 A 53 53 SER N N 53 114.483 117.167 -2.684 1
1 592 . 13 1 1 A 54 54 ARG H H 54 9.030 8.906 0.124 1
1 593 . 13 1 1 A 54 54 ARG HA H 54 3.925 3.923 0.002 1
1 599 . 13 1 1 A 54 54 ARG C C 54 178.621 178.842 -0.221 1
1 600 . 13 1 1 A 54 54 ARG CA C 54 59.660 59.959 -0.299 1
1 601 . 13 1 1 A 54 54 ARG CB C 54 29.594 29.927 -0.333 1
1 604 . 13 1 1 A 54 54 ARG N N 54 121.039 124.455 -3.416 1
1 605 . 13 1 1 A 55 55 ARG H H 55 8.472 7.899 0.573 1
1 606 . 13 1 1 A 55 55 ARG HA H 55 4.253 4.028 0.225 1
1 611 . 13 1 1 A 55 55 ARG C C 55 179.367 178.402 0.965 1
1 612 . 13 1 1 A 55 55 ARG CA C 55 59.387 59.577 -0.190 1
1 613 . 13 1 1 A 55 55 ARG CB C 55 30.068 29.900 0.168 1
1 616 . 13 1 1 A 55 55 ARG N N 55 117.655 119.786 -2.131 1
1 617 . 13 1 1 A 56 56 GLU H H 56 7.849 8.316 -0.467 1
1 618 . 13 1 1 A 56 56 GLU HA H 56 3.909 4.038 -0.129 1
1 622 . 13 1 1 A 56 56 GLU C C 56 179.885 178.991 0.894 1
1 623 . 13 1 1 A 56 56 GLU CA C 56 59.421 59.127 0.294 1
1 624 . 13 1 1 A 56 56 GLU CB C 56 30.907 29.569 1.338 1
1 626 . 13 1 1 A 56 56 GLU N N 56 119.916 117.508 2.408 1
1 627 . 13 1 1 A 57 57 ILE H H 57 8.254 7.704 0.550 1
1 628 . 13 1 1 A 57 57 ILE HA H 57 3.732 3.929 -0.197 1
1 638 . 13 1 1 A 57 57 ILE C C 57 177.586 177.610 -0.024 1
1 639 . 13 1 1 A 57 57 ILE CA C 57 66.553 65.554 0.999 1
1 640 . 13 1 1 A 57 57 ILE CB C 57 38.596 37.776 0.820 1
1 644 . 13 1 1 A 57 57 ILE N N 57 122.354 120.750 1.604 1
1 645 . 13 1 1 A 58 58 ASP H H 58 8.899 8.895 0.004 1
1 646 . 13 1 1 A 58 58 ASP HA H 58 4.621 4.380 0.241 1
1 649 . 13 1 1 A 58 58 ASP C C 58 180.161 179.051 1.110 1
1 650 . 13 1 1 A 58 58 ASP CA C 58 58.114 57.753 0.361 1
1 651 . 13 1 1 A 58 58 ASP CB C 58 40.817 40.428 0.389 1
1 652 . 13 1 1 A 58 58 ASP N N 58 121.029 121.364 -0.335 1
1 653 . 13 1 1 A 59 59 SER H H 59 8.321 8.216 0.105 1
1 654 . 13 1 1 A 59 59 SER HA H 59 4.371 4.239 0.132 1
1 656 . 13 1 1 A 59 59 SER C C 59 176.017 175.925 0.092 1
1 657 . 13 1 1 A 59 59 SER CA C 59 61.870 62.498 -0.628 1
1 658 . 13 1 1 A 59 59 SER CB C 59 63.076 62.923 0.153 1
1 659 . 13 1 1 A 59 59 SER N N 59 114.708 115.405 -0.697 1
1 660 . 13 1 1 A 60 60 TRP H H 60 8.209 7.803 0.406 1
1 661 . 13 1 1 A 60 60 TRP HA H 60 4.019 4.550 -0.531 1
1 670 . 13 1 1 A 60 60 TRP C C 60 179.214 178.520 0.694 1
1 671 . 13 1 1 A 60 60 TRP CA C 60 62.981 61.697 1.284 1
1 672 . 13 1 1 A 60 60 TRP CB C 60 28.693 29.433 -0.740 1
1 678 . 13 1 1 A 60 60 TRP N N 60 123.289 124.234 -0.945 1
1 680 . 13 1 1 A 61 61 PHE H H 61 8.941 8.819 0.122 1
1 681 . 13 1 1 A 61 61 PHE HA H 61 3.798 4.416 -0.618 1
1 689 . 13 1 1 A 61 61 PHE C C 61 178.097 178.385 -0.288 1
1 690 . 13 1 1 A 61 61 PHE CA C 61 63.866 61.010 2.856 1
1 691 . 13 1 1 A 61 61 PHE CB C 61 39.642 39.215 0.427 1
1 697 . 13 1 1 A 61 61 PHE N N 61 118.838 118.487 0.351 1
1 698 . 13 1 1 A 62 62 SER H H 62 8.179 8.739 -0.560 1
1 699 . 13 1 1 A 62 62 SER HA H 62 4.134 4.232 -0.098 1
1 702 . 13 1 1 A 62 62 SER C C 62 177.996 176.519 1.477 1
1 703 . 13 1 1 A 62 62 SER CA C 62 62.064 62.576 -0.512 1
1 704 . 13 1 1 A 62 62 SER CB C 62 62.890 63.018 -0.128 1
1 705 . 13 1 1 A 62 62 SER N N 62 113.145 115.700 -2.555 1
1 706 . 13 1 1 A 63 63 GLU H H 63 8.027 7.630 0.397 1
1 707 . 13 1 1 A 63 63 GLU HA H 63 3.910 4.127 -0.217 1
1 711 . 13 1 1 A 63 63 GLU C C 63 178.729 178.472 0.257 1
1 712 . 13 1 1 A 63 63 GLU CA C 63 58.637 59.127 -0.490 1
1 713 . 13 1 1 A 63 63 GLU CB C 63 29.188 29.579 -0.391 1
1 715 . 13 1 1 A 63 63 GLU N N 63 120.533 121.686 -1.153 1
1 716 . 13 1 1 A 64 64 ARG H H 64 8.166 7.740 0.426 1
1 717 . 13 1 1 A 64 64 ARG HA H 64 3.498 3.455 0.043 1
1 725 . 13 1 1 A 64 64 ARG C C 64 179.466 178.616 0.850 1
1 726 . 13 1 1 A 64 64 ARG CA C 64 56.502 58.855 -2.353 1
1 727 . 13 1 1 A 64 64 ARG CB C 64 28.148 29.009 -0.861 1
1 730 . 13 1 1 A 64 64 ARG N N 64 122.505 120.137 2.368 1
1 732 . 13 1 1 A 65 65 ARG H H 65 8.002 8.111 -0.109 1
1 733 . 13 1 1 A 65 65 ARG HA H 65 4.086 4.111 -0.025 1
1 740 . 13 1 1 A 65 65 ARG C C 65 177.832 178.539 -0.707 1
1 741 . 13 1 1 A 65 65 ARG CA C 65 60.054 60.032 0.022 1
1 742 . 13 1 1 A 65 65 ARG CB C 65 31.425 30.183 1.242 1
1 745 . 13 1 1 A 65 65 ARG N N 65 117.887 118.361 -0.474 1
1 746 . 13 1 1 A 66 66 LYS H H 66 7.356 8.097 -0.741 1
1 747 . 13 1 1 A 66 66 LYS HA H 66 4.141 3.985 0.156 1
1 753 . 13 1 1 A 66 66 LYS C C 66 178.353 178.793 -0.440 1
1 754 . 13 1 1 A 66 66 LYS CA C 66 58.444 59.081 -0.637 1
1 755 . 13 1 1 A 66 66 LYS CB C 66 32.288 32.169 0.119 1
1 759 . 13 1 1 A 66 66 LYS N N 66 118.479 119.766 -1.287 1
1 760 . 13 1 1 A 67 67 LEU H H 67 7.604 7.478 0.126 1
1 761 . 13 1 1 A 67 67 LEU HA H 67 4.143 3.898 0.245 1
1 771 . 13 1 1 A 67 67 LEU C C 67 178.510 178.714 -0.204 1
1 772 . 13 1 1 A 67 67 LEU CA C 67 56.712 58.202 -1.490 1
1 773 . 13 1 1 A 67 67 LEU CB C 67 41.857 41.330 0.527 1
1 777 . 13 1 1 A 67 67 LEU N N 67 120.424 117.601 2.823 1
1 778 . 13 1 1 A 68 68 ARG H H 68 7.914 7.861 0.053 1
1 779 . 13 1 1 A 68 68 ARG HA H 68 4.262 3.843 0.419 1
1 786 . 13 1 1 A 68 68 ARG C C 68 177.396 178.021 -0.625 1
1 787 . 13 1 1 A 68 68 ARG CA C 68 57.589 59.945 -2.356 1
1 788 . 13 1 1 A 68 68 ARG CB C 68 30.211 30.196 0.015 1
1 791 . 13 1 1 A 68 68 ARG N N 68 120.638 119.669 0.969 1
1 792 . 13 1 1 A 69 69 ASP H H 69 8.337 8.127 0.210 1
1 793 . 13 1 1 A 69 69 ASP HA H 69 4.592 4.380 0.212 1
1 796 . 13 1 1 A 69 69 ASP C C 69 176.826 175.872 0.954 1
1 797 . 13 1 1 A 69 69 ASP CA C 69 55.527 57.251 -1.724 1
1 798 . 13 1 1 A 69 69 ASP CB C 69 40.833 40.940 -0.107 1
1 799 . 13 1 1 A 69 69 ASP N N 69 119.845 120.281 -0.436 1
1 800 . 13 1 1 A 70 70 SER H H 70 8.002 8.259 -0.257 1
1 801 . 13 1 1 A 70 70 SER HA H 70 4.473 4.224 0.249 1
1 804 . 13 1 1 A 70 70 SER C C 70 174.524 174.139 0.385 1
1 805 . 13 1 1 A 70 70 SER CA C 70 59.070 59.199 -0.129 1
1 806 . 13 1 1 A 70 70 SER CB C 70 63.887 61.220 2.667 1
1 807 . 13 1 1 A 70 70 SER N N 70 114.740 113.052 1.688 1
1 808 . 13 1 1 A 71 71 MET H H 71 8.117 8.020 0.097 1
1 809 . 13 1 1 A 71 71 MET HA H 71 4.559 4.460 0.099 1
1 817 . 13 1 1 A 71 71 MET C C 71 175.392 176.629 -1.237 1
1 818 . 13 1 1 A 71 71 MET CA C 71 55.711 57.463 -1.752 1
1 819 . 13 1 1 A 71 71 MET CB C 71 33.246 34.487 -1.241 1
1 822 . 13 1 1 A 71 71 MET N N 71 121.694 117.288 4.406 1
1 823 . 13 1 1 A 72 72 GLU HA H 72 4.245 4.973 -0.728 1
1 827 . 13 1 1 A 72 72 GLU C C 72 177.767 174.295 3.472 1
1 828 . 13 1 1 A 72 72 GLU CA C 72 57.871 54.444 3.427 1
1 829 . 13 1 1 A 72 72 GLU CB C 72 29.798 32.569 -2.771 1
1 831 . 13 1 1 A 73 73 GLN H H 73 8.210 8.793 -0.583 1
1 832 . 13 1 1 A 73 73 GLN HA H 73 4.177 5.135 -0.958 1
1 836 . 13 1 1 A 73 73 GLN C C 73 176.422 175.624 0.798 1
1 837 . 13 1 1 A 73 73 GLN CA C 73 56.899 53.889 3.010 1
1 838 . 13 1 1 A 73 73 GLN CB C 73 28.852 32.330 -3.478 1
1 840 . 13 1 1 A 73 73 GLN N N 73 120.076 119.920 0.156 1
1 841 . 13 1 1 A 74 74 ALA H H 74 8.099 8.593 -0.494 1
1 842 . 13 1 1 A 74 74 ALA HA H 74 4.239 4.467 -0.228 1
1 846 . 13 1 1 A 74 74 ALA C C 74 178.960 177.030 1.930 1
1 847 . 13 1 1 A 74 74 ALA CA C 74 53.837 51.838 1.999 1
1 848 . 13 1 1 A 74 74 ALA CB C 74 18.794 20.186 -1.392 1
1 849 . 13 1 1 A 74 74 ALA N N 74 123.168 127.236 -4.068 1
1 850 . 13 1 1 A 75 75 VAL H H 75 7.886 8.458 -0.572 1
1 851 . 13 1 1 A 75 75 VAL HA H 75 3.985 4.725 -0.740 1
1 859 . 13 1 1 A 75 75 VAL C C 75 177.376 175.191 2.185 1
1 860 . 13 1 1 A 75 75 VAL CA C 75 63.895 59.116 4.779 1
1 861 . 13 1 1 A 75 75 VAL CB C 75 32.450 35.268 -2.818 1
1 864 . 13 1 1 A 75 75 VAL N N 75 119.018 112.171 6.847 1
1 865 . 13 1 1 A 76 76 LEU H H 76 8.074 8.389 -0.315 1
1 866 . 13 1 1 A 76 76 LEU HA H 76 4.291 4.188 0.103 1
1 876 . 13 1 1 A 76 76 LEU C C 76 178.363 176.361 2.002 1
1 877 . 13 1 1 A 76 76 LEU CA C 76 56.247 55.072 1.175 1
1 878 . 13 1 1 A 76 76 LEU CB C 76 42.342 42.426 -0.084 1
1 882 . 13 1 1 A 76 76 LEU N N 76 124.324 120.354 3.970 1
1 883 . 13 1 1 A 77 77 ASP H H 77 8.443 9.069 -0.626 1
1 884 . 13 1 1 A 77 77 ASP HA H 77 4.593 4.286 0.307 1
1 887 . 13 1 1 A 77 77 ASP C C 77 177.224 175.945 1.279 1
1 888 . 13 1 1 A 77 77 ASP CA C 77 55.364 55.030 0.334 1
1 889 . 13 1 1 A 77 77 ASP CB C 77 40.970 39.838 1.132 1
1 890 . 13 1 1 A 77 77 ASP N N 77 120.595 120.783 -0.188 1
1 891 . 13 1 1 A 78 78 SER H H 78 8.121 7.840 0.281 1
1 892 . 13 1 1 A 78 78 SER HA H 78 4.421 4.560 -0.139 1
1 894 . 13 1 1 A 78 78 SER C C 78 175.244 174.178 1.066 1
1 895 . 13 1 1 A 78 78 SER CA C 78 58.809 58.559 0.250 1
1 896 . 13 1 1 A 78 78 SER CB C 78 63.674 64.394 -0.720 1
1 897 . 13 1 1 A 78 78 SER N N 78 115.700 114.784 0.916 1
1 898 . 13 1 1 A 79 79 MET H H 79 8.202 8.546 -0.344 1
1 899 . 13 1 1 A 79 79 MET HA H 79 4.525 4.517 0.008 1
1 903 . 13 1 1 A 79 79 MET C C 79 177.199 176.820 0.379 1
1 904 . 13 1 1 A 79 79 MET CA C 79 56.010 56.171 -0.161 1
1 905 . 13 1 1 A 79 79 MET CB C 79 32.610 32.773 -0.163 1
1 907 . 13 1 1 A 79 79 MET N N 79 121.204 122.720 -1.516 1
1 908 . 13 1 1 A 80 80 GLY H H 80 8.268 8.899 -0.631 1
1 909 . 13 1 1 A 80 80 GLY C C 80 174.529 173.889 0.640 1
1 910 . 13 1 1 A 80 80 GLY CA C 80 45.637 46.323 -0.686 1
1 911 . 13 1 1 A 80 80 GLY N N 80 109.108 111.056 -1.948 1
1 912 . 13 1 1 A 81 81 SER HA H 81 4.478 4.977 -0.499 1
1 915 . 13 1 1 A 81 81 SER C C 81 175.336 173.788 1.548 1
1 916 . 13 1 1 A 81 81 SER CA C 81 58.701 56.185 2.516 1
1 917 . 13 1 1 A 81 81 SER CB C 81 63.977 65.448 -1.471 1
1 918 . 13 1 1 A 82 82 GLY H H 82 8.526 8.463 0.063 1
1 919 . 13 1 1 A 82 82 GLY HA2 H 82 4.018 4.004 0.014 1
1 920 . 13 1 1 A 82 82 GLY HA3 H 82 4.018 4.018 0.000 1
1 921 . 13 1 1 A 82 82 GLY C C 82 174.290 172.908 1.382 1
1 922 . 13 1 1 A 82 82 GLY CA C 82 45.485 44.414 1.071 1
1 923 . 13 1 1 A 82 82 GLY N N 82 110.928 113.666 -2.738 1
1 924 . 13 1 1 A 83 83 LYS H H 83 8.159 8.442 -0.283 1
1 925 . 13 1 1 A 83 83 LYS C C 83 176.692 176.103 0.589 1
1 926 . 13 1 1 A 83 83 LYS CA C 83 56.216 54.885 1.331 1
1 927 . 13 1 1 A 83 83 LYS CB C 83 33.201 33.824 -0.623 1
1 928 . 13 1 1 A 83 83 LYS N N 83 120.759 120.353 0.406 1
1 929 . 13 1 1 A 88 88 SER HA H 88 4.509 5.278 -0.769 1
1 932 . 13 1 1 A 88 88 SER C C 88 173.946 173.548 0.398 1
1 933 . 13 1 1 A 88 88 SER CA C 88 58.432 56.166 2.266 1
1 934 . 13 1 1 A 88 88 SER CB C 88 64.208 65.981 -1.773 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.940 4.058 -0.118 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.940 4.062 -0.122 1
1 3 . 14 1 1 A 7 7 GLY C C 7 173.532 171.947 1.585 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.255 45.518 -0.263 1
1 5 . 14 1 1 A 8 8 ALA H H 8 8.010 8.217 -0.207 1
1 6 . 14 1 1 A 8 8 ALA HA H 8 4.259 5.338 -1.079 1
1 10 . 14 1 1 A 8 8 ALA C C 8 176.987 175.213 1.774 1
1 11 . 14 1 1 A 8 8 ALA CA C 8 52.334 50.626 1.708 1
1 12 . 14 1 1 A 8 8 ALA CB C 8 19.389 23.480 -4.091 1
1 13 . 14 1 1 A 8 8 ALA N N 8 123.317 123.156 0.161 1
1 14 . 14 1 1 A 9 9 TYR H H 9 8.110 8.782 -0.672 1
1 15 . 14 1 1 A 9 9 TYR HA H 9 4.832 4.907 -0.075 1
1 22 . 14 1 1 A 9 9 TYR C C 9 174.112 173.601 0.511 1
1 23 . 14 1 1 A 9 9 TYR CA C 9 55.642 55.723 -0.081 1
1 24 . 14 1 1 A 9 9 TYR CB C 9 38.292 41.673 -3.381 1
1 29 . 14 1 1 A 9 9 TYR N N 9 120.065 114.849 5.216 1
1 30 . 14 1 1 A 10 10 PRO HA H 10 4.377 4.572 -0.195 1
1 36 . 14 1 1 A 10 10 PRO C C 10 176.388 175.417 0.971 1
1 37 . 14 1 1 A 10 10 PRO CA C 10 63.332 62.494 0.838 1
1 38 . 14 1 1 A 10 10 PRO CB C 10 31.985 33.160 -1.175 1
1 41 . 14 1 1 A 11 11 ASP H H 11 8.249 8.314 -0.065 1
1 42 . 14 1 1 A 11 11 ASP HA H 11 4.537 4.812 -0.275 1
1 45 . 14 1 1 A 11 11 ASP C C 11 175.893 174.313 1.580 1
1 46 . 14 1 1 A 11 11 ASP CA C 11 54.410 52.847 1.563 1
1 47 . 14 1 1 A 11 11 ASP CB C 11 41.149 44.481 -3.332 1
1 48 . 14 1 1 A 11 11 ASP N N 11 119.884 116.156 3.728 1
1 49 . 14 1 1 A 12 12 PHE H H 12 8.028 8.684 -0.656 1
1 50 . 14 1 1 A 12 12 PHE HA H 12 4.616 4.901 -0.285 1
1 55 . 14 1 1 A 12 12 PHE C C 12 175.001 175.692 -0.691 1
1 56 . 14 1 1 A 12 12 PHE CA C 12 57.417 57.694 -0.277 1
1 57 . 14 1 1 A 12 12 PHE CB C 12 39.577 41.542 -1.965 1
1 60 . 14 1 1 A 12 12 PHE N N 12 119.972 120.098 -0.126 1
1 61 . 14 1 1 A 13 13 ALA H H 13 8.118 8.661 -0.543 1
1 62 . 14 1 1 A 13 13 ALA HA H 13 4.570 4.684 -0.114 1
1 66 . 14 1 1 A 13 13 ALA C C 13 175.002 176.167 -1.165 1
1 67 . 14 1 1 A 13 13 ALA CA C 13 50.500 49.066 1.434 1
1 68 . 14 1 1 A 13 13 ALA CB C 13 18.532 20.083 -1.551 1
1 69 . 14 1 1 A 13 13 ALA N N 13 126.968 123.240 3.728 1
1 70 . 14 1 1 A 14 14 PRO HA H 14 4.349 4.589 -0.240 1
1 76 . 14 1 1 A 14 14 PRO C C 14 177.054 176.385 0.669 1
1 77 . 14 1 1 A 14 14 PRO CA C 14 63.380 62.325 1.055 1
1 78 . 14 1 1 A 14 14 PRO CB C 14 31.960 32.818 -0.858 1
1 81 . 14 1 1 A 15 15 GLN H H 15 8.411 8.508 -0.097 1
1 82 . 14 1 1 A 15 15 GLN HA H 15 4.221 4.359 -0.138 1
1 88 . 14 1 1 A 15 15 GLN C C 15 175.815 175.554 0.261 1
1 89 . 14 1 1 A 15 15 GLN CA C 15 55.929 56.194 -0.265 1
1 90 . 14 1 1 A 15 15 GLN CB C 15 29.270 29.716 -0.446 1
1 92 . 14 1 1 A 15 15 GLN N N 15 120.172 120.434 -0.262 1
1 94 . 14 1 1 A 16 16 LYS H H 16 8.171 8.459 -0.288 1
1 95 . 14 1 1 A 16 16 LYS HA H 16 4.234 4.276 -0.042 1
1 102 . 14 1 1 A 16 16 LYS C C 16 176.196 175.853 0.343 1
1 103 . 14 1 1 A 16 16 LYS CA C 16 56.236 56.484 -0.248 1
1 104 . 14 1 1 A 16 16 LYS CB C 16 33.171 32.678 0.493 1
1 108 . 14 1 1 A 16 16 LYS N N 16 122.238 121.482 0.756 1
1 109 . 14 1 1 A 17 17 PHE H H 17 8.257 8.864 -0.607 1
1 110 . 14 1 1 A 17 17 PHE HA H 17 4.715 5.060 -0.345 1
1 117 . 14 1 1 A 17 17 PHE C C 17 175.737 173.833 1.904 1
1 118 . 14 1 1 A 17 17 PHE CA C 17 57.341 57.873 -0.532 1
1 119 . 14 1 1 A 17 17 PHE CB C 17 39.776 41.484 -1.708 1
1 124 . 14 1 1 A 17 17 PHE N N 17 121.572 124.580 -3.008 1
1 125 . 14 1 1 A 18 18 LYS H H 18 8.411 7.315 1.096 1
1 126 . 14 1 1 A 18 18 LYS HA H 18 4.285 4.767 -0.482 1
1 132 . 14 1 1 A 18 18 LYS C C 18 176.317 176.687 -0.370 1
1 133 . 14 1 1 A 18 18 LYS CA C 18 56.146 55.087 1.059 1
1 134 . 14 1 1 A 18 18 LYS CB C 18 33.269 33.558 -0.289 1
1 138 . 14 1 1 A 18 18 LYS N N 18 123.072 119.071 4.001 1
1 139 . 14 1 1 A 19 19 GLU H H 19 8.494 8.777 -0.283 1
1 140 . 14 1 1 A 19 19 GLU HA H 19 4.243 4.479 -0.236 1
1 144 . 14 1 1 A 19 19 GLU C C 19 176.811 175.688 1.123 1
1 145 . 14 1 1 A 19 19 GLU CA C 19 56.916 56.841 0.075 1
1 146 . 14 1 1 A 19 19 GLU CB C 19 30.158 30.133 0.025 1
1 148 . 14 1 1 A 19 19 GLU N N 19 123.032 122.908 0.124 1
1 149 . 14 1 1 A 20 20 LYS H H 20 8.530 7.460 1.070 1
1 150 . 14 1 1 A 20 20 LYS HA H 20 4.560 4.798 -0.238 1
1 159 . 14 1 1 A 20 20 LYS C C 20 177.491 174.320 3.171 1
1 160 . 14 1 1 A 20 20 LYS CA C 20 56.105 54.788 1.317 1
1 161 . 14 1 1 A 20 20 LYS CB C 20 34.248 37.235 -2.987 1
1 165 . 14 1 1 A 20 20 LYS N N 20 123.545 118.144 5.401 1
1 166 . 14 1 1 A 21 21 THR H H 21 8.868 8.522 0.346 1
1 167 . 14 1 1 A 21 21 THR HA H 21 4.448 4.761 -0.313 1
1 172 . 14 1 1 A 21 21 THR C C 21 175.491 176.053 -0.562 1
1 173 . 14 1 1 A 21 21 THR CA C 21 60.686 59.706 0.980 1
1 174 . 14 1 1 A 21 21 THR CB C 21 70.760 71.342 -0.582 1
1 176 . 14 1 1 A 21 21 THR N N 21 113.437 115.234 -1.797 1
1 177 . 14 1 1 A 22 22 GLN H H 22 8.993 9.022 -0.029 1
1 178 . 14 1 1 A 22 22 GLN HA H 22 4.055 4.075 -0.020 1
1 183 . 14 1 1 A 22 22 GLN C C 22 178.882 178.295 0.587 1
1 184 . 14 1 1 A 22 22 GLN CA C 22 58.899 58.407 0.492 1
1 185 . 14 1 1 A 22 22 GLN CB C 22 28.366 28.262 0.104 1
1 187 . 14 1 1 A 22 22 GLN N N 22 120.458 123.815 -3.357 1
1 188 . 14 1 1 A 23 23 GLY H H 23 8.580 8.392 0.188 1
1 189 . 14 1 1 A 23 23 GLY HA2 H 23 3.843 3.734 0.109 1
1 190 . 14 1 1 A 23 23 GLY HA3 H 23 3.843 3.735 0.108 1
1 191 . 14 1 1 A 23 23 GLY C C 23 176.518 175.710 0.808 1
1 192 . 14 1 1 A 23 23 GLY CA C 23 46.750 47.299 -0.549 1
1 193 . 14 1 1 A 23 23 GLY N N 23 107.047 108.935 -1.888 1
1 194 . 14 1 1 A 24 24 GLN H H 24 7.771 7.911 -0.140 1
1 195 . 14 1 1 A 24 24 GLN HA H 24 3.844 3.910 -0.066 1
1 202 . 14 1 1 A 24 24 GLN C C 24 177.564 178.311 -0.747 1
1 203 . 14 1 1 A 24 24 GLN CA C 24 59.397 58.771 0.626 1
1 204 . 14 1 1 A 24 24 GLN CB C 24 29.250 28.416 0.834 1
1 206 . 14 1 1 A 24 24 GLN N N 24 120.555 121.051 -0.496 1
1 208 . 14 1 1 A 25 25 VAL H H 25 8.029 7.948 0.081 1
1 209 . 14 1 1 A 25 25 VAL HA H 25 3.163 3.235 -0.072 1
1 217 . 14 1 1 A 25 25 VAL C C 25 176.630 177.760 -1.130 1
1 218 . 14 1 1 A 25 25 VAL CA C 25 66.856 66.787 0.069 1
1 219 . 14 1 1 A 25 25 VAL CB C 25 31.543 31.423 0.120 1
1 222 . 14 1 1 A 25 25 VAL N N 25 117.187 120.076 -2.889 1
1 223 . 14 1 1 A 26 26 LYS H H 26 7.924 8.453 -0.529 1
1 224 . 14 1 1 A 26 26 LYS HA H 26 3.995 3.905 0.090 1
1 230 . 14 1 1 A 26 26 LYS C C 26 178.199 178.702 -0.503 1
1 231 . 14 1 1 A 26 26 LYS CA C 26 59.506 59.540 -0.034 1
1 232 . 14 1 1 A 26 26 LYS CB C 26 32.209 32.145 0.064 1
1 236 . 14 1 1 A 26 26 LYS N N 26 119.341 120.130 -0.789 1
1 237 . 14 1 1 A 27 27 ILE H H 27 7.033 7.813 -0.780 1
1 238 . 14 1 1 A 27 27 ILE HA H 27 3.706 3.650 0.056 1
1 248 . 14 1 1 A 27 27 ILE C C 27 179.280 178.731 0.549 1
1 249 . 14 1 1 A 27 27 ILE CA C 27 64.803 65.099 -0.296 1
1 250 . 14 1 1 A 27 27 ILE CB C 27 38.361 37.715 0.646 1
1 254 . 14 1 1 A 27 27 ILE N N 27 117.901 120.808 -2.907 1
1 255 . 14 1 1 A 28 28 LEU H H 28 7.400 7.657 -0.257 1
1 256 . 14 1 1 A 28 28 LEU HA H 28 3.563 3.877 -0.314 1
1 266 . 14 1 1 A 28 28 LEU C C 28 177.369 178.492 -1.123 1
1 267 . 14 1 1 A 28 28 LEU CA C 28 58.256 58.118 0.138 1
1 268 . 14 1 1 A 28 28 LEU CB C 28 37.957 41.112 -3.155 1
1 272 . 14 1 1 A 28 28 LEU N N 28 121.290 119.993 1.297 1
1 273 . 14 1 1 A 29 29 GLU H H 29 8.880 8.462 0.418 1
1 274 . 14 1 1 A 29 29 GLU HA H 29 4.327 4.139 0.188 1
1 278 . 14 1 1 A 29 29 GLU C C 29 179.216 178.852 0.364 1
1 279 . 14 1 1 A 29 29 GLU CA C 29 59.430 59.959 -0.529 1
1 280 . 14 1 1 A 29 29 GLU CB C 29 29.276 29.368 -0.092 1
1 282 . 14 1 1 A 29 29 GLU N N 29 120.487 116.794 3.693 1
1 283 . 14 1 1 A 30 30 ASP H H 30 8.313 7.825 0.488 1
1 284 . 14 1 1 A 30 30 ASP HA H 30 4.422 4.407 0.015 1
1 287 . 14 1 1 A 30 30 ASP C C 30 179.036 178.757 0.279 1
1 288 . 14 1 1 A 30 30 ASP CA C 30 57.388 57.491 -0.103 1
1 289 . 14 1 1 A 30 30 ASP CB C 30 40.547 41.269 -0.722 1
1 290 . 14 1 1 A 30 30 ASP N N 30 118.471 119.937 -1.466 1
1 291 . 14 1 1 A 31 31 SER H H 31 7.406 7.884 -0.478 1
1 292 . 14 1 1 A 31 31 SER HA H 31 4.290 4.198 0.092 1
1 295 . 14 1 1 A 31 31 SER C C 31 177.290 176.246 1.044 1
1 296 . 14 1 1 A 31 31 SER CA C 31 61.575 62.659 -1.084 1
1 297 . 14 1 1 A 31 31 SER CB C 31 63.167 63.618 -0.451 1
1 298 . 14 1 1 A 31 31 SER N N 31 113.187 115.936 -2.749 1
1 299 . 14 1 1 A 32 32 PHE H H 32 9.117 8.268 0.849 1
1 300 . 14 1 1 A 32 32 PHE HA H 32 4.369 4.329 0.040 1
1 308 . 14 1 1 A 32 32 PHE C C 32 176.545 177.252 -0.707 1
1 309 . 14 1 1 A 32 32 PHE CA C 32 61.569 61.528 0.041 1
1 310 . 14 1 1 A 32 32 PHE CB C 32 39.362 39.203 0.159 1
1 316 . 14 1 1 A 32 32 PHE N N 32 121.840 122.891 -1.051 1
1 317 . 14 1 1 A 33 33 LEU H H 33 8.235 8.941 -0.706 1
1 318 . 14 1 1 A 33 33 LEU HA H 33 3.965 4.042 -0.077 1
1 328 . 14 1 1 A 33 33 LEU C C 33 179.575 179.189 0.386 1
1 329 . 14 1 1 A 33 33 LEU CA C 33 56.998 58.435 -1.437 1
1 330 . 14 1 1 A 33 33 LEU CB C 33 42.053 41.692 0.361 1
1 334 . 14 1 1 A 33 33 LEU N N 33 115.363 120.213 -4.850 1
1 335 . 14 1 1 A 34 34 LYS H H 34 7.509 7.581 -0.072 1
1 336 . 14 1 1 A 34 34 LYS HA H 34 4.174 4.174 0.000 1
1 343 . 14 1 1 A 34 34 LYS C C 34 178.190 176.694 1.496 1
1 344 . 14 1 1 A 34 34 LYS CA C 34 58.819 58.594 0.225 1
1 345 . 14 1 1 A 34 34 LYS CB C 34 32.352 33.028 -0.676 1
1 349 . 14 1 1 A 34 34 LYS N N 34 119.688 117.181 2.507 1
1 350 . 14 1 1 A 35 35 SER H H 35 8.130 7.953 0.177 1
1 351 . 14 1 1 A 35 35 SER HA H 35 4.379 4.649 -0.270 1
1 354 . 14 1 1 A 35 35 SER C C 35 174.000 174.658 -0.658 1
1 355 . 14 1 1 A 35 35 SER CA C 35 58.202 56.772 1.430 1
1 356 . 14 1 1 A 35 35 SER CB C 35 64.375 64.349 0.026 1
1 357 . 14 1 1 A 35 35 SER N N 35 112.275 113.010 -0.735 1
1 358 . 14 1 1 A 36 36 SER H H 36 8.404 8.556 -0.152 1
1 359 . 14 1 1 A 36 36 SER HA H 36 3.952 2.847 1.105 1
1 362 . 14 1 1 A 36 36 SER C C 36 172.467 174.604 -2.137 1
1 363 . 14 1 1 A 36 36 SER CA C 36 59.127 61.270 -2.143 1
1 364 . 14 1 1 A 36 36 SER CB C 36 63.788 62.049 1.739 1
1 365 . 14 1 1 A 36 36 SER N N 36 121.307 121.589 -0.282 1
1 366 . 14 1 1 A 37 37 PHE H H 37 7.735 8.024 -0.289 1
1 367 . 14 1 1 A 37 37 PHE HA H 37 4.859 5.006 -0.147 1
1 375 . 14 1 1 A 37 37 PHE C C 37 172.549 173.970 -1.421 1
1 376 . 14 1 1 A 37 37 PHE CA C 37 55.604 55.378 0.226 1
1 377 . 14 1 1 A 37 37 PHE CB C 37 39.842 38.945 0.897 1
1 383 . 14 1 1 A 37 37 PHE N N 37 118.373 119.771 -1.398 1
1 384 . 14 1 1 A 38 38 PRO HA H 38 4.391 4.661 -0.270 1
1 391 . 14 1 1 A 38 38 PRO C C 38 177.660 176.419 1.241 1
1 392 . 14 1 1 A 38 38 PRO CA C 38 62.193 62.397 -0.204 1
1 393 . 14 1 1 A 38 38 PRO CB C 38 31.490 33.046 -1.556 1
1 396 . 14 1 1 A 39 39 THR H H 39 7.809 8.370 -0.561 1
1 397 . 14 1 1 A 39 39 THR HA H 39 4.322 4.767 -0.445 1
1 402 . 14 1 1 A 39 39 THR C C 39 174.966 175.848 -0.882 1
1 403 . 14 1 1 A 39 39 THR CA C 39 60.648 59.525 1.123 1
1 404 . 14 1 1 A 39 39 THR CB C 39 71.192 71.965 -0.773 1
1 406 . 14 1 1 A 39 39 THR N N 39 111.373 111.689 -0.316 1
1 407 . 14 1 1 A 40 40 GLN H H 40 8.880 8.881 -0.001 1
1 408 . 14 1 1 A 40 40 GLN HA H 40 3.907 4.037 -0.130 1
1 414 . 14 1 1 A 40 40 GLN C C 40 177.855 178.359 -0.504 1
1 415 . 14 1 1 A 40 40 GLN CA C 40 59.243 59.233 0.010 1
1 416 . 14 1 1 A 40 40 GLN CB C 40 28.107 28.221 -0.114 1
1 418 . 14 1 1 A 40 40 GLN N N 40 120.143 120.528 -0.385 1
1 420 . 14 1 1 A 41 41 ALA H H 41 8.286 7.878 0.408 1
1 421 . 14 1 1 A 41 41 ALA HA H 41 4.212 4.098 0.114 1
1 425 . 14 1 1 A 41 41 ALA C C 41 180.741 179.363 1.378 1
1 426 . 14 1 1 A 41 41 ALA CA C 41 55.009 55.265 -0.256 1
1 427 . 14 1 1 A 41 41 ALA CB C 41 18.111 18.904 -0.793 1
1 428 . 14 1 1 A 41 41 ALA N N 41 119.773 122.803 -3.030 1
1 429 . 14 1 1 A 42 42 GLU H H 42 7.772 8.068 -0.296 1
1 430 . 14 1 1 A 42 42 GLU HA H 42 4.673 4.006 0.667 1
1 435 . 14 1 1 A 42 42 GLU C C 42 178.478 178.949 -0.471 1
1 436 . 14 1 1 A 42 42 GLU CA C 42 57.730 59.836 -2.106 1
1 437 . 14 1 1 A 42 42 GLU CB C 42 28.610 29.679 -1.069 1
1 439 . 14 1 1 A 42 42 GLU N N 42 122.141 118.478 3.663 1
1 440 . 14 1 1 A 43 43 LEU H H 43 8.472 7.902 0.570 1
1 441 . 14 1 1 A 43 43 LEU HA H 43 3.924 3.852 0.072 1
1 451 . 14 1 1 A 43 43 LEU C C 43 179.842 178.451 1.391 1
1 452 . 14 1 1 A 43 43 LEU CA C 43 58.828 57.699 1.129 1
1 453 . 14 1 1 A 43 43 LEU CB C 43 41.540 41.576 -0.036 1
1 457 . 14 1 1 A 43 43 LEU N N 43 121.542 120.357 1.185 1
1 458 . 14 1 1 A 44 44 ASP H H 44 8.384 8.472 -0.088 1
1 459 . 14 1 1 A 44 44 ASP HA H 44 4.447 4.269 0.178 1
1 462 . 14 1 1 A 44 44 ASP C C 44 178.428 178.234 0.194 1
1 463 . 14 1 1 A 44 44 ASP CA C 44 57.812 57.309 0.503 1
1 464 . 14 1 1 A 44 44 ASP CB C 44 40.226 40.367 -0.141 1
1 465 . 14 1 1 A 44 44 ASP N N 44 119.756 118.355 1.401 1
1 466 . 14 1 1 A 45 45 ARG H H 45 7.979 7.937 0.042 1
1 467 . 14 1 1 A 45 45 ARG HA H 45 4.058 4.122 -0.064 1
1 475 . 14 1 1 A 45 45 ARG C C 45 179.249 178.763 0.486 1
1 476 . 14 1 1 A 45 45 ARG CA C 45 59.629 58.342 1.287 1
1 477 . 14 1 1 A 45 45 ARG CB C 45 30.553 29.715 0.838 1
1 480 . 14 1 1 A 45 45 ARG N N 45 123.029 119.816 3.213 1
1 482 . 14 1 1 A 46 46 LEU H H 46 8.943 8.336 0.607 1
1 483 . 14 1 1 A 46 46 LEU HA H 46 3.922 4.025 -0.103 1
1 493 . 14 1 1 A 46 46 LEU C C 46 180.973 178.986 1.987 1
1 494 . 14 1 1 A 46 46 LEU CA C 46 57.885 57.927 -0.042 1
1 495 . 14 1 1 A 46 46 LEU CB C 46 42.943 41.107 1.836 1
1 499 . 14 1 1 A 46 46 LEU N N 46 118.282 119.798 -1.516 1
1 500 . 14 1 1 A 47 47 ARG H H 47 8.421 8.682 -0.261 1
1 501 . 14 1 1 A 47 47 ARG HA H 47 4.050 4.005 0.045 1
1 508 . 14 1 1 A 47 47 ARG C C 47 178.760 178.434 0.326 1
1 509 . 14 1 1 A 47 47 ARG CA C 47 60.366 59.265 1.101 1
1 510 . 14 1 1 A 47 47 ARG CB C 47 29.957 29.996 -0.039 1
1 513 . 14 1 1 A 47 47 ARG N N 47 125.416 117.761 7.655 1
1 514 . 14 1 1 A 48 48 VAL H H 48 7.626 7.652 -0.026 1
1 515 . 14 1 1 A 48 48 VAL HA H 48 3.700 3.733 -0.033 1
1 523 . 14 1 1 A 48 48 VAL C C 48 178.628 177.698 0.930 1
1 524 . 14 1 1 A 48 48 VAL CA C 48 66.325 64.966 1.359 1
1 525 . 14 1 1 A 48 48 VAL CB C 48 31.902 31.219 0.683 1
1 528 . 14 1 1 A 48 48 VAL N N 48 119.769 119.691 0.078 1
1 529 . 14 1 1 A 49 49 GLU H H 49 8.419 8.254 0.165 1
1 530 . 14 1 1 A 49 49 GLU HA H 49 4.202 3.995 0.207 1
1 534 . 14 1 1 A 49 49 GLU C C 49 178.866 178.914 -0.048 1
1 535 . 14 1 1 A 49 49 GLU CA C 49 59.062 59.317 -0.255 1
1 536 . 14 1 1 A 49 49 GLU CB C 49 30.950 29.472 1.478 1
1 538 . 14 1 1 A 49 49 GLU N N 49 116.074 121.848 -5.774 1
1 539 . 14 1 1 A 50 50 THR H H 50 8.436 8.168 0.268 1
1 540 . 14 1 1 A 50 50 THR HA H 50 4.335 4.270 0.065 1
1 545 . 14 1 1 A 50 50 THR C C 50 175.412 174.262 1.150 1
1 546 . 14 1 1 A 50 50 THR CA C 50 63.447 62.423 1.024 1
1 547 . 14 1 1 A 50 50 THR CB C 50 71.702 69.362 2.340 1
1 549 . 14 1 1 A 50 50 THR N N 50 105.198 110.377 -5.179 1
1 550 . 14 1 1 A 51 51 LYS H H 51 7.745 7.955 -0.210 1
1 551 . 14 1 1 A 51 51 LYS HA H 51 4.032 3.783 0.249 1
1 559 . 14 1 1 A 51 51 LYS C C 51 175.949 174.641 1.308 1
1 560 . 14 1 1 A 51 51 LYS CA C 51 58.428 57.319 1.109 1
1 561 . 14 1 1 A 51 51 LYS CB C 51 29.225 29.209 0.016 1
1 565 . 14 1 1 A 51 51 LYS N N 51 114.904 116.696 -1.792 1
1 566 . 14 1 1 A 52 52 LEU H H 52 7.679 7.770 -0.091 1
1 567 . 14 1 1 A 52 52 LEU HA H 52 4.519 4.916 -0.397 1
1 577 . 14 1 1 A 52 52 LEU C C 52 176.301 175.791 0.510 1
1 578 . 14 1 1 A 52 52 LEU CA C 52 53.820 53.132 0.688 1
1 579 . 14 1 1 A 52 52 LEU CB C 52 43.987 45.055 -1.068 1
1 583 . 14 1 1 A 52 52 LEU N N 52 120.156 118.643 1.513 1
1 584 . 14 1 1 A 53 53 SER H H 53 8.599 8.841 -0.242 1
1 585 . 14 1 1 A 53 53 SER HA H 53 4.454 4.706 -0.252 1
1 588 . 14 1 1 A 53 53 SER C C 53 175.265 175.453 -0.188 1
1 589 . 14 1 1 A 53 53 SER CA C 53 57.586 57.026 0.560 1
1 590 . 14 1 1 A 53 53 SER CB C 53 65.402 65.575 -0.173 1
1 591 . 14 1 1 A 53 53 SER N N 53 114.483 117.383 -2.900 1
1 592 . 14 1 1 A 54 54 ARG H H 54 9.030 8.935 0.095 1
1 593 . 14 1 1 A 54 54 ARG HA H 54 3.925 3.924 0.001 1
1 599 . 14 1 1 A 54 54 ARG C C 54 178.621 177.978 0.643 1
1 600 . 14 1 1 A 54 54 ARG CA C 54 59.660 60.277 -0.617 1
1 601 . 14 1 1 A 54 54 ARG CB C 54 29.594 30.055 -0.461 1
1 604 . 14 1 1 A 54 54 ARG N N 54 121.039 124.406 -3.367 1
1 605 . 14 1 1 A 55 55 ARG H H 55 8.472 8.134 0.338 1
1 606 . 14 1 1 A 55 55 ARG HA H 55 4.253 4.062 0.191 1
1 611 . 14 1 1 A 55 55 ARG C C 55 179.367 179.076 0.291 1
1 612 . 14 1 1 A 55 55 ARG CA C 55 59.387 59.717 -0.330 1
1 613 . 14 1 1 A 55 55 ARG CB C 55 30.068 30.152 -0.084 1
1 616 . 14 1 1 A 55 55 ARG N N 55 117.655 119.399 -1.744 1
1 617 . 14 1 1 A 56 56 GLU H H 56 7.849 8.215 -0.366 1
1 618 . 14 1 1 A 56 56 GLU HA H 56 3.909 4.060 -0.151 1
1 622 . 14 1 1 A 56 56 GLU C C 56 179.885 179.288 0.597 1
1 623 . 14 1 1 A 56 56 GLU CA C 56 59.421 59.353 0.068 1
1 624 . 14 1 1 A 56 56 GLU CB C 56 30.907 29.527 1.380 1
1 626 . 14 1 1 A 56 56 GLU N N 56 119.916 119.544 0.372 1
1 627 . 14 1 1 A 57 57 ILE H H 57 8.254 8.131 0.123 1
1 628 . 14 1 1 A 57 57 ILE HA H 57 3.732 3.693 0.039 1
1 638 . 14 1 1 A 57 57 ILE C C 57 177.586 177.783 -0.197 1
1 639 . 14 1 1 A 57 57 ILE CA C 57 66.553 65.826 0.727 1
1 640 . 14 1 1 A 57 57 ILE CB C 57 38.596 37.877 0.719 1
1 644 . 14 1 1 A 57 57 ILE N N 57 122.354 120.754 1.600 1
1 645 . 14 1 1 A 58 58 ASP H H 58 8.899 8.475 0.424 1
1 646 . 14 1 1 A 58 58 ASP HA H 58 4.621 4.316 0.305 1
1 649 . 14 1 1 A 58 58 ASP C C 58 180.161 178.267 1.894 1
1 650 . 14 1 1 A 58 58 ASP CA C 58 58.114 57.508 0.606 1
1 651 . 14 1 1 A 58 58 ASP CB C 58 40.817 40.695 0.122 1
1 652 . 14 1 1 A 58 58 ASP N N 58 121.029 121.151 -0.122 1
1 653 . 14 1 1 A 59 59 SER H H 59 8.321 7.779 0.542 1
1 654 . 14 1 1 A 59 59 SER HA H 59 4.371 4.247 0.124 1
1 656 . 14 1 1 A 59 59 SER C C 59 176.017 176.918 -0.901 1
1 657 . 14 1 1 A 59 59 SER CA C 59 61.870 61.414 0.456 1
1 658 . 14 1 1 A 59 59 SER CB C 59 63.076 63.166 -0.090 1
1 659 . 14 1 1 A 59 59 SER N N 59 114.708 113.617 1.091 1
1 660 . 14 1 1 A 60 60 TRP H H 60 8.209 8.218 -0.009 1
1 661 . 14 1 1 A 60 60 TRP HA H 60 4.019 4.363 -0.344 1
1 670 . 14 1 1 A 60 60 TRP C C 60 179.214 178.400 0.814 1
1 671 . 14 1 1 A 60 60 TRP CA C 60 62.981 61.267 1.714 1
1 672 . 14 1 1 A 60 60 TRP CB C 60 28.693 29.796 -1.103 1
1 678 . 14 1 1 A 60 60 TRP N N 60 123.289 124.021 -0.732 1
1 680 . 14 1 1 A 61 61 PHE H H 61 8.941 8.455 0.486 1
1 681 . 14 1 1 A 61 61 PHE HA H 61 3.798 4.161 -0.363 1
1 689 . 14 1 1 A 61 61 PHE C C 61 178.097 178.048 0.049 1
1 690 . 14 1 1 A 61 61 PHE CA C 61 63.866 61.951 1.915 1
1 691 . 14 1 1 A 61 61 PHE CB C 61 39.642 38.476 1.166 1
1 697 . 14 1 1 A 61 61 PHE N N 61 118.838 117.879 0.959 1
1 698 . 14 1 1 A 62 62 SER H H 62 8.179 8.901 -0.722 1
1 699 . 14 1 1 A 62 62 SER HA H 62 4.134 4.131 0.003 1
1 702 . 14 1 1 A 62 62 SER C C 62 177.996 176.800 1.196 1
1 703 . 14 1 1 A 62 62 SER CA C 62 62.064 61.674 0.390 1
1 704 . 14 1 1 A 62 62 SER CB C 62 62.890 63.080 -0.190 1
1 705 . 14 1 1 A 62 62 SER N N 62 113.145 114.763 -1.618 1
1 706 . 14 1 1 A 63 63 GLU H H 63 8.027 7.335 0.692 1
1 707 . 14 1 1 A 63 63 GLU HA H 63 3.910 4.115 -0.205 1
1 711 . 14 1 1 A 63 63 GLU C C 63 178.729 178.702 0.027 1
1 712 . 14 1 1 A 63 63 GLU CA C 63 58.637 58.527 0.110 1
1 713 . 14 1 1 A 63 63 GLU CB C 63 29.188 29.770 -0.582 1
1 715 . 14 1 1 A 63 63 GLU N N 63 120.533 121.351 -0.818 1
1 716 . 14 1 1 A 64 64 ARG H H 64 8.166 8.044 0.122 1
1 717 . 14 1 1 A 64 64 ARG HA H 64 3.498 3.416 0.082 1
1 725 . 14 1 1 A 64 64 ARG C C 64 179.466 178.714 0.752 1
1 726 . 14 1 1 A 64 64 ARG CA C 64 56.502 58.781 -2.279 1
1 727 . 14 1 1 A 64 64 ARG CB C 64 28.148 28.735 -0.587 1
1 730 . 14 1 1 A 64 64 ARG N N 64 122.505 119.855 2.650 1
1 732 . 14 1 1 A 65 65 ARG H H 65 8.002 7.968 0.034 1
1 733 . 14 1 1 A 65 65 ARG HA H 65 4.086 4.276 -0.190 1
1 740 . 14 1 1 A 65 65 ARG C C 65 177.832 178.688 -0.856 1
1 741 . 14 1 1 A 65 65 ARG CA C 65 60.054 59.354 0.700 1
1 742 . 14 1 1 A 65 65 ARG CB C 65 31.425 29.948 1.477 1
1 745 . 14 1 1 A 65 65 ARG N N 65 117.887 118.517 -0.630 1
1 746 . 14 1 1 A 66 66 LYS H H 66 7.356 8.172 -0.816 1
1 747 . 14 1 1 A 66 66 LYS HA H 66 4.141 4.055 0.086 1
1 753 . 14 1 1 A 66 66 LYS C C 66 178.353 178.899 -0.546 1
1 754 . 14 1 1 A 66 66 LYS CA C 66 58.444 59.035 -0.591 1
1 755 . 14 1 1 A 66 66 LYS CB C 66 32.288 32.230 0.058 1
1 759 . 14 1 1 A 66 66 LYS N N 66 118.479 120.018 -1.539 1
1 760 . 14 1 1 A 67 67 LEU H H 67 7.604 7.574 0.030 1
1 761 . 14 1 1 A 67 67 LEU HA H 67 4.143 4.017 0.126 1
1 771 . 14 1 1 A 67 67 LEU C C 67 178.510 178.640 -0.130 1
1 772 . 14 1 1 A 67 67 LEU CA C 67 56.712 58.082 -1.370 1
1 773 . 14 1 1 A 67 67 LEU CB C 67 41.857 41.212 0.645 1
1 777 . 14 1 1 A 67 67 LEU N N 67 120.424 117.569 2.855 1
1 778 . 14 1 1 A 68 68 ARG H H 68 7.914 8.093 -0.179 1
1 779 . 14 1 1 A 68 68 ARG HA H 68 4.262 3.942 0.320 1
1 786 . 14 1 1 A 68 68 ARG C C 68 177.396 177.862 -0.466 1
1 787 . 14 1 1 A 68 68 ARG CA C 68 57.589 59.922 -2.333 1
1 788 . 14 1 1 A 68 68 ARG CB C 68 30.211 30.040 0.171 1
1 791 . 14 1 1 A 68 68 ARG N N 68 120.638 119.508 1.130 1
1 792 . 14 1 1 A 69 69 ASP H H 69 8.337 8.639 -0.302 1
1 793 . 14 1 1 A 69 69 ASP HA H 69 4.592 4.451 0.141 1
1 796 . 14 1 1 A 69 69 ASP C C 69 176.826 177.842 -1.016 1
1 797 . 14 1 1 A 69 69 ASP CA C 69 55.527 56.889 -1.362 1
1 798 . 14 1 1 A 69 69 ASP CB C 69 40.833 41.177 -0.344 1
1 799 . 14 1 1 A 69 69 ASP N N 69 119.845 120.799 -0.954 1
1 800 . 14 1 1 A 70 70 SER H H 70 8.002 7.606 0.396 1
1 801 . 14 1 1 A 70 70 SER HA H 70 4.473 4.450 0.023 1
1 804 . 14 1 1 A 70 70 SER C C 70 174.524 174.813 -0.289 1
1 805 . 14 1 1 A 70 70 SER CA C 70 59.070 58.522 0.548 1
1 806 . 14 1 1 A 70 70 SER CB C 70 63.887 63.547 0.340 1
1 807 . 14 1 1 A 70 70 SER N N 70 114.740 110.479 4.261 1
1 808 . 14 1 1 A 71 71 MET H H 71 8.117 7.300 0.817 1
1 809 . 14 1 1 A 71 71 MET HA H 71 4.559 4.479 0.080 1
1 817 . 14 1 1 A 71 71 MET C C 71 175.392 177.507 -2.115 1
1 818 . 14 1 1 A 71 71 MET CA C 71 55.711 55.062 0.649 1
1 819 . 14 1 1 A 71 71 MET CB C 71 33.246 33.877 -0.631 1
1 822 . 14 1 1 A 71 71 MET N N 71 121.694 122.295 -0.601 1
1 823 . 14 1 1 A 72 72 GLU HA H 72 4.245 4.100 0.145 1
1 827 . 14 1 1 A 72 72 GLU C C 72 177.767 177.207 0.560 1
1 828 . 14 1 1 A 72 72 GLU CA C 72 57.871 59.465 -1.594 1
1 829 . 14 1 1 A 72 72 GLU CB C 72 29.798 29.110 0.688 1
1 831 . 14 1 1 A 73 73 GLN H H 73 8.210 7.813 0.397 1
1 832 . 14 1 1 A 73 73 GLN HA H 73 4.177 4.319 -0.142 1
1 836 . 14 1 1 A 73 73 GLN C C 73 176.422 175.433 0.989 1
1 837 . 14 1 1 A 73 73 GLN CA C 73 56.899 55.818 1.081 1
1 838 . 14 1 1 A 73 73 GLN CB C 73 28.852 29.255 -0.403 1
1 840 . 14 1 1 A 73 73 GLN N N 73 120.076 119.374 0.702 1
1 841 . 14 1 1 A 74 74 ALA H H 74 8.099 8.393 -0.294 1
1 842 . 14 1 1 A 74 74 ALA HA H 74 4.239 4.915 -0.676 1
1 846 . 14 1 1 A 74 74 ALA C C 74 178.960 176.442 2.518 1
1 847 . 14 1 1 A 74 74 ALA CA C 74 53.837 50.717 3.120 1
1 848 . 14 1 1 A 74 74 ALA CB C 74 18.794 23.253 -4.459 1
1 849 . 14 1 1 A 74 74 ALA N N 74 123.168 126.861 -3.693 1
1 850 . 14 1 1 A 75 75 VAL H H 75 7.886 8.369 -0.483 1
1 851 . 14 1 1 A 75 75 VAL HA H 75 3.985 4.064 -0.079 1
1 859 . 14 1 1 A 75 75 VAL C C 75 177.376 175.820 1.556 1
1 860 . 14 1 1 A 75 75 VAL CA C 75 63.895 62.435 1.460 1
1 861 . 14 1 1 A 75 75 VAL CB C 75 32.450 32.875 -0.425 1
1 864 . 14 1 1 A 75 75 VAL N N 75 119.018 119.381 -0.363 1
1 865 . 14 1 1 A 76 76 LEU H H 76 8.074 8.408 -0.334 1
1 866 . 14 1 1 A 76 76 LEU HA H 76 4.291 4.581 -0.290 1
1 876 . 14 1 1 A 76 76 LEU C C 76 178.363 176.162 2.201 1
1 877 . 14 1 1 A 76 76 LEU CA C 76 56.247 53.860 2.387 1
1 878 . 14 1 1 A 76 76 LEU CB C 76 42.342 42.622 -0.280 1
1 882 . 14 1 1 A 76 76 LEU N N 76 124.324 120.156 4.168 1
1 883 . 14 1 1 A 77 77 ASP H H 77 8.443 8.804 -0.361 1
1 884 . 14 1 1 A 77 77 ASP HA H 77 4.593 5.150 -0.557 1
1 887 . 14 1 1 A 77 77 ASP C C 77 177.224 174.350 2.874 1
1 888 . 14 1 1 A 77 77 ASP CA C 77 55.364 52.837 2.527 1
1 889 . 14 1 1 A 77 77 ASP CB C 77 40.970 44.619 -3.649 1
1 890 . 14 1 1 A 77 77 ASP N N 77 120.595 122.695 -2.100 1
1 891 . 14 1 1 A 78 78 SER H H 78 8.121 8.492 -0.371 1
1 892 . 14 1 1 A 78 78 SER HA H 78 4.421 4.952 -0.531 1
1 894 . 14 1 1 A 78 78 SER C C 78 175.244 173.540 1.704 1
1 895 . 14 1 1 A 78 78 SER CA C 78 58.809 57.387 1.422 1
1 896 . 14 1 1 A 78 78 SER CB C 78 63.674 63.960 -0.286 1
1 897 . 14 1 1 A 78 78 SER N N 78 115.700 115.268 0.432 1
1 898 . 14 1 1 A 79 79 MET H H 79 8.202 8.963 -0.761 1
1 899 . 14 1 1 A 79 79 MET HA H 79 4.525 5.093 -0.568 1
1 903 . 14 1 1 A 79 79 MET C C 79 177.199 174.895 2.304 1
1 904 . 14 1 1 A 79 79 MET CA C 79 56.010 54.004 2.006 1
1 905 . 14 1 1 A 79 79 MET CB C 79 32.610 35.931 -3.321 1
1 907 . 14 1 1 A 79 79 MET N N 79 121.204 125.832 -4.628 1
1 908 . 14 1 1 A 80 80 GLY H H 80 8.268 9.029 -0.761 1
1 909 . 14 1 1 A 80 80 GLY C C 80 174.529 173.847 0.682 1
1 910 . 14 1 1 A 80 80 GLY CA C 80 45.637 46.189 -0.552 1
1 911 . 14 1 1 A 80 80 GLY N N 80 109.108 113.403 -4.295 1
1 912 . 14 1 1 A 81 81 SER HA H 81 4.478 5.087 -0.609 1
1 915 . 14 1 1 A 81 81 SER C C 81 175.336 174.269 1.067 1
1 916 . 14 1 1 A 81 81 SER CA C 81 58.701 57.089 1.612 1
1 917 . 14 1 1 A 81 81 SER CB C 81 63.977 65.513 -1.536 1
1 918 . 14 1 1 A 82 82 GLY H H 82 8.526 8.544 -0.018 1
1 919 . 14 1 1 A 82 82 GLY HA2 H 82 4.018 4.093 -0.075 1
1 920 . 14 1 1 A 82 82 GLY HA3 H 82 4.018 4.093 -0.075 1
1 921 . 14 1 1 A 82 82 GLY C C 82 174.290 175.021 -0.731 1
1 922 . 14 1 1 A 82 82 GLY CA C 82 45.485 45.296 0.189 1
1 923 . 14 1 1 A 82 82 GLY N N 82 110.928 109.875 1.053 1
1 924 . 14 1 1 A 83 83 LYS H H 83 8.159 7.873 0.286 1
1 925 . 14 1 1 A 83 83 LYS C C 83 176.692 176.785 -0.093 1
1 926 . 14 1 1 A 83 83 LYS CA C 83 56.216 58.202 -1.986 1
1 927 . 14 1 1 A 83 83 LYS CB C 83 33.201 33.139 0.062 1
1 928 . 14 1 1 A 83 83 LYS N N 83 120.759 120.999 -0.240 1
1 929 . 14 1 1 A 88 88 SER HA H 88 4.509 5.160 -0.651 1
1 932 . 14 1 1 A 88 88 SER C C 88 173.946 173.495 0.451 1
1 933 . 14 1 1 A 88 88 SER CA C 88 58.432 57.802 0.630 1
1 934 . 14 1 1 A 88 88 SER CB C 88 64.208 65.925 -1.717 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.940 4.275 -0.335 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.940 4.288 -0.348 1
1 3 . 15 1 1 A 7 7 GLY C C 7 173.532 172.778 0.754 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.255 44.268 0.987 1
1 5 . 15 1 1 A 8 8 ALA H H 8 8.010 8.446 -0.436 1
1 6 . 15 1 1 A 8 8 ALA HA H 8 4.259 5.017 -0.758 1
1 10 . 15 1 1 A 8 8 ALA C C 8 176.987 176.034 0.953 1
1 11 . 15 1 1 A 8 8 ALA CA C 8 52.334 50.717 1.617 1
1 12 . 15 1 1 A 8 8 ALA CB C 8 19.389 22.618 -3.229 1
1 13 . 15 1 1 A 8 8 ALA N N 8 123.317 122.837 0.480 1
1 14 . 15 1 1 A 9 9 TYR H H 9 8.110 8.369 -0.259 1
1 15 . 15 1 1 A 9 9 TYR HA H 9 4.832 4.599 0.233 1
1 22 . 15 1 1 A 9 9 TYR C C 9 174.112 176.155 -2.043 1
1 23 . 15 1 1 A 9 9 TYR CA C 9 55.642 57.585 -1.943 1
1 24 . 15 1 1 A 9 9 TYR CB C 9 38.292 38.276 0.016 1
1 29 . 15 1 1 A 9 9 TYR N N 9 120.065 120.440 -0.375 1
1 30 . 15 1 1 A 10 10 PRO HA H 10 4.377 4.526 -0.149 1
1 36 . 15 1 1 A 10 10 PRO C C 10 176.388 176.960 -0.572 1
1 37 . 15 1 1 A 10 10 PRO CA C 10 63.332 64.092 -0.760 1
1 38 . 15 1 1 A 10 10 PRO CB C 10 31.985 31.940 0.045 1
1 41 . 15 1 1 A 11 11 ASP H H 11 8.249 8.484 -0.235 1
1 42 . 15 1 1 A 11 11 ASP HA H 11 4.537 4.480 0.057 1
1 45 . 15 1 1 A 11 11 ASP C C 11 175.893 176.126 -0.233 1
1 46 . 15 1 1 A 11 11 ASP CA C 11 54.410 56.375 -1.965 1
1 47 . 15 1 1 A 11 11 ASP CB C 11 41.149 40.740 0.409 1
1 48 . 15 1 1 A 11 11 ASP N N 11 119.884 116.273 3.611 1
1 49 . 15 1 1 A 12 12 PHE H H 12 8.028 7.690 0.338 1
1 50 . 15 1 1 A 12 12 PHE HA H 12 4.616 4.789 -0.173 1
1 55 . 15 1 1 A 12 12 PHE C C 12 175.001 173.297 1.704 1
1 56 . 15 1 1 A 12 12 PHE CA C 12 57.417 57.693 -0.276 1
1 57 . 15 1 1 A 12 12 PHE CB C 12 39.577 42.546 -2.969 1
1 60 . 15 1 1 A 12 12 PHE N N 12 119.972 118.415 1.557 1
1 61 . 15 1 1 A 13 13 ALA H H 13 8.118 7.364 0.754 1
1 62 . 15 1 1 A 13 13 ALA HA H 13 4.570 4.415 0.155 1
1 66 . 15 1 1 A 13 13 ALA C C 13 175.002 173.790 1.212 1
1 67 . 15 1 1 A 13 13 ALA CA C 13 50.500 49.611 0.889 1
1 68 . 15 1 1 A 13 13 ALA CB C 13 18.532 21.989 -3.457 1
1 69 . 15 1 1 A 13 13 ALA N N 13 126.968 126.455 0.513 1
1 70 . 15 1 1 A 14 14 PRO HA H 14 4.349 4.440 -0.091 1
1 76 . 15 1 1 A 14 14 PRO C C 14 177.054 176.261 0.793 1
1 77 . 15 1 1 A 14 14 PRO CA C 14 63.380 62.161 1.219 1
1 78 . 15 1 1 A 14 14 PRO CB C 14 31.960 32.675 -0.715 1
1 81 . 15 1 1 A 15 15 GLN H H 15 8.411 8.370 0.041 1
1 82 . 15 1 1 A 15 15 GLN HA H 15 4.221 4.359 -0.138 1
1 88 . 15 1 1 A 15 15 GLN C C 15 175.815 174.857 0.958 1
1 89 . 15 1 1 A 15 15 GLN CA C 15 55.929 55.827 0.102 1
1 90 . 15 1 1 A 15 15 GLN CB C 15 29.270 29.391 -0.121 1
1 92 . 15 1 1 A 15 15 GLN N N 15 120.172 121.352 -1.180 1
1 94 . 15 1 1 A 16 16 LYS H H 16 8.171 8.521 -0.350 1
1 95 . 15 1 1 A 16 16 LYS HA H 16 4.234 4.786 -0.552 1
1 102 . 15 1 1 A 16 16 LYS C C 16 176.196 175.082 1.114 1
1 103 . 15 1 1 A 16 16 LYS CA C 16 56.236 54.148 2.088 1
1 104 . 15 1 1 A 16 16 LYS CB C 16 33.171 36.985 -3.814 1
1 108 . 15 1 1 A 16 16 LYS N N 16 122.238 125.427 -3.189 1
1 109 . 15 1 1 A 17 17 PHE H H 17 8.257 8.813 -0.556 1
1 110 . 15 1 1 A 17 17 PHE HA H 17 4.715 4.971 -0.256 1
1 117 . 15 1 1 A 17 17 PHE C C 17 175.737 174.808 0.929 1
1 118 . 15 1 1 A 17 17 PHE CA C 17 57.341 57.285 0.056 1
1 119 . 15 1 1 A 17 17 PHE CB C 17 39.776 42.298 -2.522 1
1 124 . 15 1 1 A 17 17 PHE N N 17 121.572 118.278 3.294 1
1 125 . 15 1 1 A 18 18 LYS H H 18 8.411 8.742 -0.331 1
1 126 . 15 1 1 A 18 18 LYS HA H 18 4.285 4.625 -0.340 1
1 132 . 15 1 1 A 18 18 LYS C C 18 176.317 176.084 0.233 1
1 133 . 15 1 1 A 18 18 LYS CA C 18 56.146 55.838 0.308 1
1 134 . 15 1 1 A 18 18 LYS CB C 18 33.269 33.389 -0.120 1
1 138 . 15 1 1 A 18 18 LYS N N 18 123.072 122.930 0.142 1
1 139 . 15 1 1 A 19 19 GLU H H 19 8.494 8.927 -0.433 1
1 140 . 15 1 1 A 19 19 GLU HA H 19 4.243 5.056 -0.813 1
1 144 . 15 1 1 A 19 19 GLU C C 19 176.811 174.791 2.020 1
1 145 . 15 1 1 A 19 19 GLU CA C 19 56.916 54.663 2.253 1
1 146 . 15 1 1 A 19 19 GLU CB C 19 30.158 33.436 -3.278 1
1 148 . 15 1 1 A 19 19 GLU N N 19 123.032 124.928 -1.896 1
1 149 . 15 1 1 A 20 20 LYS H H 20 8.530 8.629 -0.099 1
1 150 . 15 1 1 A 20 20 LYS HA H 20 4.560 5.031 -0.471 1
1 159 . 15 1 1 A 20 20 LYS C C 20 177.491 175.852 1.639 1
1 160 . 15 1 1 A 20 20 LYS CA C 20 56.105 55.240 0.865 1
1 161 . 15 1 1 A 20 20 LYS CB C 20 34.248 34.282 -0.034 1
1 165 . 15 1 1 A 20 20 LYS N N 20 123.545 124.275 -0.730 1
1 166 . 15 1 1 A 21 21 THR H H 21 8.868 8.938 -0.070 1
1 167 . 15 1 1 A 21 21 THR HA H 21 4.448 4.584 -0.136 1
1 172 . 15 1 1 A 21 21 THR C C 21 175.491 175.581 -0.090 1
1 173 . 15 1 1 A 21 21 THR CA C 21 60.686 60.745 -0.059 1
1 174 . 15 1 1 A 21 21 THR CB C 21 70.760 70.246 0.514 1
1 176 . 15 1 1 A 21 21 THR N N 21 113.437 117.219 -3.782 1
1 177 . 15 1 1 A 22 22 GLN H H 22 8.993 8.976 0.017 1
1 178 . 15 1 1 A 22 22 GLN HA H 22 4.055 3.928 0.127 1
1 183 . 15 1 1 A 22 22 GLN C C 22 178.882 178.920 -0.038 1
1 184 . 15 1 1 A 22 22 GLN CA C 22 58.899 58.920 -0.021 1
1 185 . 15 1 1 A 22 22 GLN CB C 22 28.366 28.408 -0.042 1
1 187 . 15 1 1 A 22 22 GLN N N 22 120.458 126.491 -6.033 1
1 188 . 15 1 1 A 23 23 GLY H H 23 8.580 8.455 0.125 1
1 189 . 15 1 1 A 23 23 GLY HA2 H 23 3.843 3.721 0.122 1
1 190 . 15 1 1 A 23 23 GLY HA3 H 23 3.843 3.722 0.121 1
1 191 . 15 1 1 A 23 23 GLY C C 23 176.518 175.904 0.614 1
1 192 . 15 1 1 A 23 23 GLY CA C 23 46.750 47.341 -0.591 1
1 193 . 15 1 1 A 23 23 GLY N N 23 107.047 108.921 -1.874 1
1 194 . 15 1 1 A 24 24 GLN H H 24 7.771 7.967 -0.196 1
1 195 . 15 1 1 A 24 24 GLN HA H 24 3.844 3.917 -0.073 1
1 202 . 15 1 1 A 24 24 GLN C C 24 177.564 178.309 -0.745 1
1 203 . 15 1 1 A 24 24 GLN CA C 24 59.397 58.802 0.595 1
1 204 . 15 1 1 A 24 24 GLN CB C 24 29.250 28.461 0.789 1
1 206 . 15 1 1 A 24 24 GLN N N 24 120.555 120.972 -0.417 1
1 208 . 15 1 1 A 25 25 VAL H H 25 8.029 8.103 -0.074 1
1 209 . 15 1 1 A 25 25 VAL HA H 25 3.163 3.416 -0.253 1
1 217 . 15 1 1 A 25 25 VAL C C 25 176.630 178.193 -1.563 1
1 218 . 15 1 1 A 25 25 VAL CA C 25 66.856 66.745 0.111 1
1 219 . 15 1 1 A 25 25 VAL CB C 25 31.543 31.583 -0.040 1
1 222 . 15 1 1 A 25 25 VAL N N 25 117.187 120.131 -2.944 1
1 223 . 15 1 1 A 26 26 LYS H H 26 7.924 8.087 -0.163 1
1 224 . 15 1 1 A 26 26 LYS HA H 26 3.995 3.924 0.071 1
1 230 . 15 1 1 A 26 26 LYS C C 26 178.199 179.525 -1.326 1
1 231 . 15 1 1 A 26 26 LYS CA C 26 59.506 60.030 -0.524 1
1 232 . 15 1 1 A 26 26 LYS CB C 26 32.209 32.404 -0.195 1
1 236 . 15 1 1 A 26 26 LYS N N 26 119.341 118.585 0.756 1
1 237 . 15 1 1 A 27 27 ILE H H 27 7.033 7.972 -0.939 1
1 238 . 15 1 1 A 27 27 ILE HA H 27 3.706 3.692 0.014 1
1 248 . 15 1 1 A 27 27 ILE C C 27 179.280 178.636 0.644 1
1 249 . 15 1 1 A 27 27 ILE CA C 27 64.803 64.774 0.029 1
1 250 . 15 1 1 A 27 27 ILE CB C 27 38.361 37.229 1.132 1
1 254 . 15 1 1 A 27 27 ILE N N 27 117.901 120.276 -2.375 1
1 255 . 15 1 1 A 28 28 LEU H H 28 7.400 7.717 -0.317 1
1 256 . 15 1 1 A 28 28 LEU HA H 28 3.563 4.321 -0.758 1
1 266 . 15 1 1 A 28 28 LEU C C 28 177.369 179.122 -1.753 1
1 267 . 15 1 1 A 28 28 LEU CA C 28 58.256 56.566 1.690 1
1 268 . 15 1 1 A 28 28 LEU CB C 28 37.957 41.004 -3.047 1
1 272 . 15 1 1 A 28 28 LEU N N 28 121.290 121.481 -0.191 1
1 273 . 15 1 1 A 29 29 GLU H H 29 8.880 8.574 0.306 1
1 274 . 15 1 1 A 29 29 GLU HA H 29 4.327 4.160 0.167 1
1 278 . 15 1 1 A 29 29 GLU C C 29 179.216 178.820 0.396 1
1 279 . 15 1 1 A 29 29 GLU CA C 29 59.430 59.819 -0.389 1
1 280 . 15 1 1 A 29 29 GLU CB C 29 29.276 29.379 -0.103 1
1 282 . 15 1 1 A 29 29 GLU N N 29 120.487 119.799 0.688 1
1 283 . 15 1 1 A 30 30 ASP H H 30 8.313 7.846 0.467 1
1 284 . 15 1 1 A 30 30 ASP HA H 30 4.422 4.413 0.009 1
1 287 . 15 1 1 A 30 30 ASP C C 30 179.036 178.342 0.694 1
1 288 . 15 1 1 A 30 30 ASP CA C 30 57.388 56.514 0.874 1
1 289 . 15 1 1 A 30 30 ASP CB C 30 40.547 40.565 -0.018 1
1 290 . 15 1 1 A 30 30 ASP N N 30 118.471 120.336 -1.865 1
1 291 . 15 1 1 A 31 31 SER H H 31 7.406 8.337 -0.931 1
1 292 . 15 1 1 A 31 31 SER HA H 31 4.290 4.269 0.021 1
1 295 . 15 1 1 A 31 31 SER C C 31 177.290 176.898 0.392 1
1 296 . 15 1 1 A 31 31 SER CA C 31 61.575 61.456 0.119 1
1 297 . 15 1 1 A 31 31 SER CB C 31 63.167 62.709 0.458 1
1 298 . 15 1 1 A 31 31 SER N N 31 113.187 115.749 -2.562 1
1 299 . 15 1 1 A 32 32 PHE H H 32 9.117 8.338 0.779 1
1 300 . 15 1 1 A 32 32 PHE HA H 32 4.369 4.666 -0.297 1
1 308 . 15 1 1 A 32 32 PHE C C 32 176.545 177.180 -0.635 1
1 309 . 15 1 1 A 32 32 PHE CA C 32 61.569 61.533 0.036 1
1 310 . 15 1 1 A 32 32 PHE CB C 32 39.362 39.034 0.328 1
1 316 . 15 1 1 A 32 32 PHE N N 32 121.840 123.208 -1.368 1
1 317 . 15 1 1 A 33 33 LEU H H 33 8.235 8.517 -0.282 1
1 318 . 15 1 1 A 33 33 LEU HA H 33 3.965 4.034 -0.069 1
1 328 . 15 1 1 A 33 33 LEU C C 33 179.575 179.150 0.425 1
1 329 . 15 1 1 A 33 33 LEU CA C 33 56.998 58.247 -1.249 1
1 330 . 15 1 1 A 33 33 LEU CB C 33 42.053 42.136 -0.083 1
1 334 . 15 1 1 A 33 33 LEU N N 33 115.363 119.623 -4.260 1
1 335 . 15 1 1 A 34 34 LYS H H 34 7.509 8.124 -0.615 1
1 336 . 15 1 1 A 34 34 LYS HA H 34 4.174 4.267 -0.093 1
1 343 . 15 1 1 A 34 34 LYS C C 34 178.190 176.640 1.550 1
1 344 . 15 1 1 A 34 34 LYS CA C 34 58.819 57.983 0.836 1
1 345 . 15 1 1 A 34 34 LYS CB C 34 32.352 32.925 -0.573 1
1 349 . 15 1 1 A 34 34 LYS N N 34 119.688 117.047 2.641 1
1 350 . 15 1 1 A 35 35 SER H H 35 8.130 8.104 0.026 1
1 351 . 15 1 1 A 35 35 SER HA H 35 4.379 4.751 -0.372 1
1 354 . 15 1 1 A 35 35 SER C C 35 174.000 173.846 0.154 1
1 355 . 15 1 1 A 35 35 SER CA C 35 58.202 57.615 0.587 1
1 356 . 15 1 1 A 35 35 SER CB C 35 64.375 65.211 -0.836 1
1 357 . 15 1 1 A 35 35 SER N N 35 112.275 115.981 -3.706 1
1 358 . 15 1 1 A 36 36 SER H H 36 8.404 8.868 -0.464 1
1 359 . 15 1 1 A 36 36 SER HA H 36 3.952 3.154 0.798 1
1 362 . 15 1 1 A 36 36 SER C C 36 172.467 174.806 -2.339 1
1 363 . 15 1 1 A 36 36 SER CA C 36 59.127 61.749 -2.622 1
1 364 . 15 1 1 A 36 36 SER CB C 36 63.788 62.520 1.268 1
1 365 . 15 1 1 A 36 36 SER N N 36 121.307 120.794 0.513 1
1 366 . 15 1 1 A 37 37 PHE H H 37 7.735 8.244 -0.509 1
1 367 . 15 1 1 A 37 37 PHE HA H 37 4.859 5.052 -0.193 1
1 375 . 15 1 1 A 37 37 PHE C C 37 172.549 173.814 -1.265 1
1 376 . 15 1 1 A 37 37 PHE CA C 37 55.604 55.070 0.534 1
1 377 . 15 1 1 A 37 37 PHE CB C 37 39.842 39.181 0.661 1
1 383 . 15 1 1 A 37 37 PHE N N 37 118.373 119.782 -1.409 1
1 384 . 15 1 1 A 38 38 PRO HA H 38 4.391 4.640 -0.249 1
1 391 . 15 1 1 A 38 38 PRO C C 38 177.660 176.365 1.295 1
1 392 . 15 1 1 A 38 38 PRO CA C 38 62.193 62.911 -0.718 1
1 393 . 15 1 1 A 38 38 PRO CB C 38 31.490 31.979 -0.489 1
1 396 . 15 1 1 A 39 39 THR H H 39 7.809 8.434 -0.625 1
1 397 . 15 1 1 A 39 39 THR HA H 39 4.322 4.525 -0.203 1
1 402 . 15 1 1 A 39 39 THR C C 39 174.966 175.732 -0.766 1
1 403 . 15 1 1 A 39 39 THR CA C 39 60.648 61.267 -0.619 1
1 404 . 15 1 1 A 39 39 THR CB C 39 71.192 69.771 1.421 1
1 406 . 15 1 1 A 39 39 THR N N 39 111.373 117.046 -5.673 1
1 407 . 15 1 1 A 40 40 GLN H H 40 8.880 8.903 -0.023 1
1 408 . 15 1 1 A 40 40 GLN HA H 40 3.907 3.935 -0.028 1
1 414 . 15 1 1 A 40 40 GLN C C 40 177.855 178.000 -0.145 1
1 415 . 15 1 1 A 40 40 GLN CA C 40 59.243 59.731 -0.488 1
1 416 . 15 1 1 A 40 40 GLN CB C 40 28.107 28.439 -0.332 1
1 418 . 15 1 1 A 40 40 GLN N N 40 120.143 127.007 -6.864 1
1 420 . 15 1 1 A 41 41 ALA H H 41 8.286 8.098 0.188 1
1 421 . 15 1 1 A 41 41 ALA HA H 41 4.212 4.009 0.203 1
1 425 . 15 1 1 A 41 41 ALA C C 41 180.741 179.271 1.470 1
1 426 . 15 1 1 A 41 41 ALA CA C 41 55.009 55.434 -0.425 1
1 427 . 15 1 1 A 41 41 ALA CB C 41 18.111 18.424 -0.313 1
1 428 . 15 1 1 A 41 41 ALA N N 41 119.773 122.339 -2.566 1
1 429 . 15 1 1 A 42 42 GLU H H 42 7.772 8.308 -0.536 1
1 430 . 15 1 1 A 42 42 GLU HA H 42 4.673 4.006 0.667 1
1 435 . 15 1 1 A 42 42 GLU C C 42 178.478 178.754 -0.276 1
1 436 . 15 1 1 A 42 42 GLU CA C 42 57.730 59.832 -2.102 1
1 437 . 15 1 1 A 42 42 GLU CB C 42 28.610 29.449 -0.839 1
1 439 . 15 1 1 A 42 42 GLU N N 42 122.141 118.533 3.608 1
1 440 . 15 1 1 A 43 43 LEU H H 43 8.472 7.926 0.546 1
1 441 . 15 1 1 A 43 43 LEU HA H 43 3.924 3.846 0.078 1
1 451 . 15 1 1 A 43 43 LEU C C 43 179.842 178.503 1.339 1
1 452 . 15 1 1 A 43 43 LEU CA C 43 58.828 57.777 1.051 1
1 453 . 15 1 1 A 43 43 LEU CB C 43 41.540 41.586 -0.046 1
1 457 . 15 1 1 A 43 43 LEU N N 43 121.542 120.625 0.917 1
1 458 . 15 1 1 A 44 44 ASP H H 44 8.384 8.185 0.199 1
1 459 . 15 1 1 A 44 44 ASP HA H 44 4.447 4.267 0.180 1
1 462 . 15 1 1 A 44 44 ASP C C 44 178.428 178.149 0.279 1
1 463 . 15 1 1 A 44 44 ASP CA C 44 57.812 57.375 0.437 1
1 464 . 15 1 1 A 44 44 ASP CB C 44 40.226 40.347 -0.121 1
1 465 . 15 1 1 A 44 44 ASP N N 44 119.756 118.329 1.427 1
1 466 . 15 1 1 A 45 45 ARG H H 45 7.979 7.992 -0.013 1
1 467 . 15 1 1 A 45 45 ARG HA H 45 4.058 4.101 -0.043 1
1 475 . 15 1 1 A 45 45 ARG C C 45 179.249 178.799 0.450 1
1 476 . 15 1 1 A 45 45 ARG CA C 45 59.629 58.399 1.230 1
1 477 . 15 1 1 A 45 45 ARG CB C 45 30.553 29.724 0.829 1
1 480 . 15 1 1 A 45 45 ARG N N 45 123.029 119.369 3.660 1
1 482 . 15 1 1 A 46 46 LEU H H 46 8.943 8.244 0.699 1
1 483 . 15 1 1 A 46 46 LEU HA H 46 3.922 4.255 -0.333 1
1 493 . 15 1 1 A 46 46 LEU C C 46 180.973 179.077 1.896 1
1 494 . 15 1 1 A 46 46 LEU CA C 46 57.885 57.944 -0.059 1
1 495 . 15 1 1 A 46 46 LEU CB C 46 42.943 41.216 1.727 1
1 499 . 15 1 1 A 46 46 LEU N N 46 118.282 119.926 -1.644 1
1 500 . 15 1 1 A 47 47 ARG H H 47 8.421 8.695 -0.274 1
1 501 . 15 1 1 A 47 47 ARG HA H 47 4.050 3.985 0.065 1
1 508 . 15 1 1 A 47 47 ARG C C 47 178.760 178.655 0.105 1
1 509 . 15 1 1 A 47 47 ARG CA C 47 60.366 59.533 0.833 1
1 510 . 15 1 1 A 47 47 ARG CB C 47 29.957 30.010 -0.053 1
1 513 . 15 1 1 A 47 47 ARG N N 47 125.416 117.840 7.576 1
1 514 . 15 1 1 A 48 48 VAL H H 48 7.626 8.091 -0.465 1
1 515 . 15 1 1 A 48 48 VAL HA H 48 3.700 3.735 -0.035 1
1 523 . 15 1 1 A 48 48 VAL C C 48 178.628 177.649 0.979 1
1 524 . 15 1 1 A 48 48 VAL CA C 48 66.325 64.909 1.416 1
1 525 . 15 1 1 A 48 48 VAL CB C 48 31.902 31.203 0.699 1
1 528 . 15 1 1 A 48 48 VAL N N 48 119.769 119.635 0.134 1
1 529 . 15 1 1 A 49 49 GLU H H 49 8.419 8.498 -0.079 1
1 530 . 15 1 1 A 49 49 GLU HA H 49 4.202 3.951 0.251 1
1 534 . 15 1 1 A 49 49 GLU C C 49 178.866 178.375 0.491 1
1 535 . 15 1 1 A 49 49 GLU CA C 49 59.062 59.624 -0.562 1
1 536 . 15 1 1 A 49 49 GLU CB C 49 30.950 29.259 1.691 1
1 538 . 15 1 1 A 49 49 GLU N N 49 116.074 121.949 -5.875 1
1 539 . 15 1 1 A 50 50 THR H H 50 8.436 7.819 0.617 1
1 540 . 15 1 1 A 50 50 THR HA H 50 4.335 4.329 0.006 1
1 545 . 15 1 1 A 50 50 THR C C 50 175.412 174.195 1.217 1
1 546 . 15 1 1 A 50 50 THR CA C 50 63.447 61.907 1.540 1
1 547 . 15 1 1 A 50 50 THR CB C 50 71.702 69.420 2.282 1
1 549 . 15 1 1 A 50 50 THR N N 50 105.198 108.925 -3.727 1
1 550 . 15 1 1 A 51 51 LYS H H 51 7.745 7.964 -0.219 1
1 551 . 15 1 1 A 51 51 LYS HA H 51 4.032 3.780 0.252 1
1 559 . 15 1 1 A 51 51 LYS C C 51 175.949 174.614 1.335 1
1 560 . 15 1 1 A 51 51 LYS CA C 51 58.428 57.350 1.078 1
1 561 . 15 1 1 A 51 51 LYS CB C 51 29.225 29.233 -0.008 1
1 565 . 15 1 1 A 51 51 LYS N N 51 114.904 116.927 -2.023 1
1 566 . 15 1 1 A 52 52 LEU H H 52 7.679 7.845 -0.166 1
1 567 . 15 1 1 A 52 52 LEU HA H 52 4.519 4.909 -0.390 1
1 577 . 15 1 1 A 52 52 LEU C C 52 176.301 175.944 0.357 1
1 578 . 15 1 1 A 52 52 LEU CA C 52 53.820 53.143 0.677 1
1 579 . 15 1 1 A 52 52 LEU CB C 52 43.987 45.321 -1.334 1
1 583 . 15 1 1 A 52 52 LEU N N 52 120.156 118.695 1.461 1
1 584 . 15 1 1 A 53 53 SER H H 53 8.599 8.761 -0.162 1
1 585 . 15 1 1 A 53 53 SER HA H 53 4.454 4.701 -0.247 1
1 588 . 15 1 1 A 53 53 SER C C 53 175.265 175.529 -0.264 1
1 589 . 15 1 1 A 53 53 SER CA C 53 57.586 57.040 0.546 1
1 590 . 15 1 1 A 53 53 SER CB C 53 65.402 65.191 0.211 1
1 591 . 15 1 1 A 53 53 SER N N 53 114.483 117.045 -2.562 1
1 592 . 15 1 1 A 54 54 ARG H H 54 9.030 8.883 0.147 1
1 593 . 15 1 1 A 54 54 ARG HA H 54 3.925 3.912 0.013 1
1 599 . 15 1 1 A 54 54 ARG C C 54 178.621 178.123 0.498 1
1 600 . 15 1 1 A 54 54 ARG CA C 54 59.660 60.097 -0.437 1
1 601 . 15 1 1 A 54 54 ARG CB C 54 29.594 30.131 -0.537 1
1 604 . 15 1 1 A 54 54 ARG N N 54 121.039 123.810 -2.771 1
1 605 . 15 1 1 A 55 55 ARG H H 55 8.472 8.178 0.294 1
1 606 . 15 1 1 A 55 55 ARG HA H 55 4.253 4.091 0.162 1
1 611 . 15 1 1 A 55 55 ARG C C 55 179.367 178.409 0.958 1
1 612 . 15 1 1 A 55 55 ARG CA C 55 59.387 59.000 0.387 1
1 613 . 15 1 1 A 55 55 ARG CB C 55 30.068 29.852 0.216 1
1 616 . 15 1 1 A 55 55 ARG N N 55 117.655 118.413 -0.758 1
1 617 . 15 1 1 A 56 56 GLU H H 56 7.849 8.280 -0.431 1
1 618 . 15 1 1 A 56 56 GLU HA H 56 3.909 4.089 -0.180 1
1 622 . 15 1 1 A 56 56 GLU C C 56 179.885 179.397 0.488 1
1 623 . 15 1 1 A 56 56 GLU CA C 56 59.421 59.271 0.150 1
1 624 . 15 1 1 A 56 56 GLU CB C 56 30.907 29.479 1.428 1
1 626 . 15 1 1 A 56 56 GLU N N 56 119.916 118.882 1.034 1
1 627 . 15 1 1 A 57 57 ILE H H 57 8.254 8.105 0.149 1
1 628 . 15 1 1 A 57 57 ILE HA H 57 3.732 3.743 -0.011 1
1 638 . 15 1 1 A 57 57 ILE C C 57 177.586 177.753 -0.167 1
1 639 . 15 1 1 A 57 57 ILE CA C 57 66.553 65.810 0.743 1
1 640 . 15 1 1 A 57 57 ILE CB C 57 38.596 37.687 0.909 1
1 644 . 15 1 1 A 57 57 ILE N N 57 122.354 120.638 1.716 1
1 645 . 15 1 1 A 58 58 ASP H H 58 8.899 8.449 0.450 1
1 646 . 15 1 1 A 58 58 ASP HA H 58 4.621 4.248 0.373 1
1 649 . 15 1 1 A 58 58 ASP C C 58 180.161 178.463 1.698 1
1 650 . 15 1 1 A 58 58 ASP CA C 58 58.114 57.554 0.560 1
1 651 . 15 1 1 A 58 58 ASP CB C 58 40.817 40.719 0.098 1
1 652 . 15 1 1 A 58 58 ASP N N 58 121.029 121.359 -0.330 1
1 653 . 15 1 1 A 59 59 SER H H 59 8.321 7.812 0.509 1
1 654 . 15 1 1 A 59 59 SER HA H 59 4.371 4.125 0.246 1
1 656 . 15 1 1 A 59 59 SER C C 59 176.017 175.880 0.137 1
1 657 . 15 1 1 A 59 59 SER CA C 59 61.870 62.577 -0.707 1
1 658 . 15 1 1 A 59 59 SER CB C 59 63.076 62.936 0.140 1
1 659 . 15 1 1 A 59 59 SER N N 59 114.708 116.492 -1.784 1
1 660 . 15 1 1 A 60 60 TRP H H 60 8.209 8.185 0.024 1
1 661 . 15 1 1 A 60 60 TRP HA H 60 4.019 4.288 -0.269 1
1 670 . 15 1 1 A 60 60 TRP C C 60 179.214 178.526 0.688 1
1 671 . 15 1 1 A 60 60 TRP CA C 60 62.981 61.257 1.724 1
1 672 . 15 1 1 A 60 60 TRP CB C 60 28.693 29.640 -0.947 1
1 678 . 15 1 1 A 60 60 TRP N N 60 123.289 123.795 -0.506 1
1 680 . 15 1 1 A 61 61 PHE H H 61 8.941 8.415 0.526 1
1 681 . 15 1 1 A 61 61 PHE HA H 61 3.798 4.052 -0.254 1
1 689 . 15 1 1 A 61 61 PHE C C 61 178.097 178.051 0.046 1
1 690 . 15 1 1 A 61 61 PHE CA C 61 63.866 61.679 2.187 1
1 691 . 15 1 1 A 61 61 PHE CB C 61 39.642 38.254 1.388 1
1 697 . 15 1 1 A 61 61 PHE N N 61 118.838 117.914 0.924 1
1 698 . 15 1 1 A 62 62 SER H H 62 8.179 8.340 -0.161 1
1 699 . 15 1 1 A 62 62 SER HA H 62 4.134 4.098 0.036 1
1 702 . 15 1 1 A 62 62 SER C C 62 177.996 176.753 1.243 1
1 703 . 15 1 1 A 62 62 SER CA C 62 62.064 62.431 -0.367 1
1 704 . 15 1 1 A 62 62 SER CB C 62 62.890 62.550 0.340 1
1 705 . 15 1 1 A 62 62 SER N N 62 113.145 115.425 -2.280 1
1 706 . 15 1 1 A 63 63 GLU H H 63 8.027 7.847 0.180 1
1 707 . 15 1 1 A 63 63 GLU HA H 63 3.910 4.094 -0.184 1
1 711 . 15 1 1 A 63 63 GLU C C 63 178.729 178.679 0.050 1
1 712 . 15 1 1 A 63 63 GLU CA C 63 58.637 59.032 -0.395 1
1 713 . 15 1 1 A 63 63 GLU CB C 63 29.188 29.323 -0.135 1
1 715 . 15 1 1 A 63 63 GLU N N 63 120.533 121.564 -1.031 1
1 716 . 15 1 1 A 64 64 ARG H H 64 8.166 7.661 0.505 1
1 717 . 15 1 1 A 64 64 ARG HA H 64 3.498 3.458 0.040 1
1 725 . 15 1 1 A 64 64 ARG C C 64 179.466 178.331 1.135 1
1 726 . 15 1 1 A 64 64 ARG CA C 64 56.502 58.907 -2.405 1
1 727 . 15 1 1 A 64 64 ARG CB C 64 28.148 29.210 -1.062 1
1 730 . 15 1 1 A 64 64 ARG N N 64 122.505 120.437 2.068 1
1 732 . 15 1 1 A 65 65 ARG H H 65 8.002 8.317 -0.315 1
1 733 . 15 1 1 A 65 65 ARG HA H 65 4.086 4.273 -0.187 1
1 740 . 15 1 1 A 65 65 ARG C C 65 177.832 178.617 -0.785 1
1 741 . 15 1 1 A 65 65 ARG CA C 65 60.054 60.021 0.033 1
1 742 . 15 1 1 A 65 65 ARG CB C 65 31.425 30.069 1.356 1
1 745 . 15 1 1 A 65 65 ARG N N 65 117.887 117.890 -0.003 1
1 746 . 15 1 1 A 66 66 LYS H H 66 7.356 7.781 -0.425 1
1 747 . 15 1 1 A 66 66 LYS HA H 66 4.141 4.020 0.121 1
1 753 . 15 1 1 A 66 66 LYS C C 66 178.353 179.058 -0.705 1
1 754 . 15 1 1 A 66 66 LYS CA C 66 58.444 58.971 -0.527 1
1 755 . 15 1 1 A 66 66 LYS CB C 66 32.288 32.261 0.027 1
1 759 . 15 1 1 A 66 66 LYS N N 66 118.479 119.985 -1.506 1
1 760 . 15 1 1 A 67 67 LEU H H 67 7.604 7.693 -0.089 1
1 761 . 15 1 1 A 67 67 LEU HA H 67 4.143 3.896 0.247 1
1 771 . 15 1 1 A 67 67 LEU C C 67 178.510 178.781 -0.271 1
1 772 . 15 1 1 A 67 67 LEU CA C 67 56.712 58.086 -1.374 1
1 773 . 15 1 1 A 67 67 LEU CB C 67 41.857 41.049 0.808 1
1 777 . 15 1 1 A 67 67 LEU N N 67 120.424 117.602 2.822 1
1 778 . 15 1 1 A 68 68 ARG H H 68 7.914 8.425 -0.511 1
1 779 . 15 1 1 A 68 68 ARG HA H 68 4.262 3.942 0.320 1
1 786 . 15 1 1 A 68 68 ARG C C 68 177.396 177.857 -0.461 1
1 787 . 15 1 1 A 68 68 ARG CA C 68 57.589 59.778 -2.189 1
1 788 . 15 1 1 A 68 68 ARG CB C 68 30.211 29.841 0.370 1
1 791 . 15 1 1 A 68 68 ARG N N 68 120.638 119.522 1.116 1
1 792 . 15 1 1 A 69 69 ASP H H 69 8.337 8.347 -0.010 1
1 793 . 15 1 1 A 69 69 ASP HA H 69 4.592 4.429 0.163 1
1 796 . 15 1 1 A 69 69 ASP C C 69 176.826 176.724 0.102 1
1 797 . 15 1 1 A 69 69 ASP CA C 69 55.527 56.824 -1.297 1
1 798 . 15 1 1 A 69 69 ASP CB C 69 40.833 41.242 -0.409 1
1 799 . 15 1 1 A 69 69 ASP N N 69 119.845 120.037 -0.192 1
1 800 . 15 1 1 A 70 70 SER H H 70 8.002 7.957 0.045 1
1 801 . 15 1 1 A 70 70 SER HA H 70 4.473 4.301 0.172 1
1 804 . 15 1 1 A 70 70 SER C C 70 174.524 174.737 -0.213 1
1 805 . 15 1 1 A 70 70 SER CA C 70 59.070 60.380 -1.310 1
1 806 . 15 1 1 A 70 70 SER CB C 70 63.887 63.916 -0.029 1
1 807 . 15 1 1 A 70 70 SER N N 70 114.740 114.521 0.219 1
1 808 . 15 1 1 A 71 71 MET H H 71 8.117 8.720 -0.603 1
1 809 . 15 1 1 A 71 71 MET HA H 71 4.559 4.167 0.392 1
1 817 . 15 1 1 A 71 71 MET C C 71 175.392 177.818 -2.426 1
1 818 . 15 1 1 A 71 71 MET CA C 71 55.711 58.329 -2.618 1
1 819 . 15 1 1 A 71 71 MET CB C 71 33.246 32.013 1.233 1
1 822 . 15 1 1 A 71 71 MET N N 71 121.694 124.748 -3.054 1
1 823 . 15 1 1 A 72 72 GLU HA H 72 4.245 3.987 0.258 1
1 827 . 15 1 1 A 72 72 GLU C C 72 177.767 177.750 0.017 1
1 828 . 15 1 1 A 72 72 GLU CA C 72 57.871 59.817 -1.946 1
1 829 . 15 1 1 A 72 72 GLU CB C 72 29.798 29.307 0.491 1
1 831 . 15 1 1 A 73 73 GLN H H 73 8.210 7.724 0.486 1
1 832 . 15 1 1 A 73 73 GLN HA H 73 4.177 4.157 0.020 1
1 836 . 15 1 1 A 73 73 GLN C C 73 176.422 175.726 0.696 1
1 837 . 15 1 1 A 73 73 GLN CA C 73 56.899 56.318 0.581 1
1 838 . 15 1 1 A 73 73 GLN CB C 73 28.852 28.844 0.008 1
1 840 . 15 1 1 A 73 73 GLN N N 73 120.076 119.430 0.646 1
1 841 . 15 1 1 A 74 74 ALA H H 74 8.099 8.271 -0.172 1
1 842 . 15 1 1 A 74 74 ALA HA H 74 4.239 4.398 -0.159 1
1 846 . 15 1 1 A 74 74 ALA C C 74 178.960 177.115 1.845 1
1 847 . 15 1 1 A 74 74 ALA CA C 74 53.837 52.479 1.358 1
1 848 . 15 1 1 A 74 74 ALA CB C 74 18.794 19.026 -0.232 1
1 849 . 15 1 1 A 74 74 ALA N N 74 123.168 127.453 -4.285 1
1 850 . 15 1 1 A 75 75 VAL H H 75 7.886 8.752 -0.866 1
1 851 . 15 1 1 A 75 75 VAL HA H 75 3.985 4.757 -0.772 1
1 859 . 15 1 1 A 75 75 VAL C C 75 177.376 173.277 4.099 1
1 860 . 15 1 1 A 75 75 VAL CA C 75 63.895 59.536 4.359 1
1 861 . 15 1 1 A 75 75 VAL CB C 75 32.450 35.986 -3.536 1
1 864 . 15 1 1 A 75 75 VAL N N 75 119.018 121.869 -2.851 1
1 865 . 15 1 1 A 76 76 LEU H H 76 8.074 8.528 -0.454 1
1 866 . 15 1 1 A 76 76 LEU HA H 76 4.291 4.658 -0.367 1
1 876 . 15 1 1 A 76 76 LEU C C 76 178.363 175.544 2.819 1
1 877 . 15 1 1 A 76 76 LEU CA C 76 56.247 55.323 0.924 1
1 878 . 15 1 1 A 76 76 LEU CB C 76 42.342 42.535 -0.193 1
1 882 . 15 1 1 A 76 76 LEU N N 76 124.324 128.941 -4.617 1
1 883 . 15 1 1 A 77 77 ASP H H 77 8.443 8.799 -0.356 1
1 884 . 15 1 1 A 77 77 ASP HA H 77 4.593 5.089 -0.496 1
1 887 . 15 1 1 A 77 77 ASP C C 77 177.224 174.700 2.524 1
1 888 . 15 1 1 A 77 77 ASP CA C 77 55.364 52.809 2.555 1
1 889 . 15 1 1 A 77 77 ASP CB C 77 40.970 44.595 -3.625 1
1 890 . 15 1 1 A 77 77 ASP N N 77 120.595 123.823 -3.228 1
1 891 . 15 1 1 A 78 78 SER H H 78 8.121 8.530 -0.409 1
1 892 . 15 1 1 A 78 78 SER HA H 78 4.421 4.853 -0.432 1
1 894 . 15 1 1 A 78 78 SER C C 78 175.244 173.568 1.676 1
1 895 . 15 1 1 A 78 78 SER CA C 78 58.809 58.310 0.499 1
1 896 . 15 1 1 A 78 78 SER CB C 78 63.674 64.114 -0.440 1
1 897 . 15 1 1 A 78 78 SER N N 78 115.700 117.172 -1.472 1
1 898 . 15 1 1 A 79 79 MET H H 79 8.202 8.919 -0.717 1
1 899 . 15 1 1 A 79 79 MET HA H 79 4.525 5.382 -0.857 1
1 903 . 15 1 1 A 79 79 MET C C 79 177.199 175.401 1.798 1
1 904 . 15 1 1 A 79 79 MET CA C 79 56.010 53.906 2.104 1
1 905 . 15 1 1 A 79 79 MET CB C 79 32.610 36.412 -3.802 1
1 907 . 15 1 1 A 79 79 MET N N 79 121.204 123.069 -1.865 1
1 908 . 15 1 1 A 80 80 GLY H H 80 8.268 8.641 -0.373 1
1 909 . 15 1 1 A 80 80 GLY C C 80 174.529 175.206 -0.677 1
1 910 . 15 1 1 A 80 80 GLY CA C 80 45.637 45.851 -0.214 1
1 911 . 15 1 1 A 80 80 GLY N N 80 109.108 112.670 -3.562 1
1 912 . 15 1 1 A 81 81 SER HA H 81 4.478 4.476 0.002 1
1 915 . 15 1 1 A 81 81 SER C C 81 175.336 175.247 0.089 1
1 916 . 15 1 1 A 81 81 SER CA C 81 58.701 60.817 -2.116 1
1 917 . 15 1 1 A 81 81 SER CB C 81 63.977 63.786 0.191 1
1 918 . 15 1 1 A 82 82 GLY H H 82 8.526 7.795 0.731 1
1 919 . 15 1 1 A 82 82 GLY HA2 H 82 4.018 4.090 -0.072 1
1 920 . 15 1 1 A 82 82 GLY HA3 H 82 4.018 4.090 -0.072 1
1 921 . 15 1 1 A 82 82 GLY C C 82 174.290 174.001 0.289 1
1 922 . 15 1 1 A 82 82 GLY CA C 82 45.485 45.535 -0.050 1
1 923 . 15 1 1 A 82 82 GLY N N 82 110.928 105.315 5.613 1
1 924 . 15 1 1 A 83 83 LYS H H 83 8.159 8.563 -0.404 1
1 925 . 15 1 1 A 83 83 LYS C C 83 176.692 175.049 1.643 1
1 926 . 15 1 1 A 83 83 LYS CA C 83 56.216 57.355 -1.139 1
1 927 . 15 1 1 A 83 83 LYS CB C 83 33.201 31.414 1.787 1
1 928 . 15 1 1 A 83 83 LYS N N 83 120.759 122.485 -1.726 1
1 929 . 15 1 1 A 88 88 SER HA H 88 4.509 4.132 0.377 1
1 932 . 15 1 1 A 88 88 SER C C 88 173.946 174.500 -0.554 1
1 933 . 15 1 1 A 88 88 SER CA C 88 58.432 61.270 -2.838 1
1 934 . 15 1 1 A 88 88 SER CB C 88 64.208 63.381 0.827 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.940 4.072 -0.132 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.940 4.078 -0.138 1
1 3 . 16 1 1 A 7 7 GLY C C 7 173.532 173.270 0.262 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.255 44.337 0.918 1
1 5 . 16 1 1 A 8 8 ALA H H 8 8.010 8.602 -0.592 1
1 6 . 16 1 1 A 8 8 ALA HA H 8 4.259 5.223 -0.964 1
1 10 . 16 1 1 A 8 8 ALA C C 8 176.987 175.362 1.625 1
1 11 . 16 1 1 A 8 8 ALA CA C 8 52.334 51.343 0.991 1
1 12 . 16 1 1 A 8 8 ALA CB C 8 19.389 23.840 -4.451 1
1 13 . 16 1 1 A 8 8 ALA N N 8 123.317 123.022 0.295 1
1 14 . 16 1 1 A 9 9 TYR H H 9 8.110 8.623 -0.513 1
1 15 . 16 1 1 A 9 9 TYR HA H 9 4.832 5.118 -0.286 1
1 22 . 16 1 1 A 9 9 TYR C C 9 174.112 175.831 -1.719 1
1 23 . 16 1 1 A 9 9 TYR CA C 9 55.642 55.690 -0.048 1
1 24 . 16 1 1 A 9 9 TYR CB C 9 38.292 42.768 -4.476 1
1 29 . 16 1 1 A 9 9 TYR N N 9 120.065 119.162 0.903 1
1 30 . 16 1 1 A 10 10 PRO HA H 10 4.377 4.338 0.039 1
1 36 . 16 1 1 A 10 10 PRO C C 10 176.388 176.037 0.351 1
1 37 . 16 1 1 A 10 10 PRO CA C 10 63.332 63.599 -0.267 1
1 38 . 16 1 1 A 10 10 PRO CB C 10 31.985 31.713 0.272 1
1 41 . 16 1 1 A 11 11 ASP H H 11 8.249 8.181 0.068 1
1 42 . 16 1 1 A 11 11 ASP HA H 11 4.537 4.803 -0.266 1
1 45 . 16 1 1 A 11 11 ASP C C 11 175.893 176.454 -0.561 1
1 46 . 16 1 1 A 11 11 ASP CA C 11 54.410 54.760 -0.350 1
1 47 . 16 1 1 A 11 11 ASP CB C 11 41.149 41.023 0.126 1
1 48 . 16 1 1 A 11 11 ASP N N 11 119.884 118.096 1.788 1
1 49 . 16 1 1 A 12 12 PHE H H 12 8.028 9.349 -1.321 1
1 50 . 16 1 1 A 12 12 PHE HA H 12 4.616 4.848 -0.232 1
1 55 . 16 1 1 A 12 12 PHE C C 12 175.001 175.740 -0.739 1
1 56 . 16 1 1 A 12 12 PHE CA C 12 57.417 57.922 -0.505 1
1 57 . 16 1 1 A 12 12 PHE CB C 12 39.577 40.593 -1.016 1
1 60 . 16 1 1 A 12 12 PHE N N 12 119.972 124.035 -4.063 1
1 61 . 16 1 1 A 13 13 ALA H H 13 8.118 8.590 -0.472 1
1 62 . 16 1 1 A 13 13 ALA HA H 13 4.570 4.839 -0.269 1
1 66 . 16 1 1 A 13 13 ALA C C 13 175.002 176.839 -1.837 1
1 67 . 16 1 1 A 13 13 ALA CA C 13 50.500 49.771 0.729 1
1 68 . 16 1 1 A 13 13 ALA CB C 13 18.532 21.436 -2.904 1
1 69 . 16 1 1 A 13 13 ALA N N 13 126.968 124.018 2.950 1
1 70 . 16 1 1 A 14 14 PRO HA H 14 4.349 4.390 -0.041 1
1 76 . 16 1 1 A 14 14 PRO C C 14 177.054 176.302 0.752 1
1 77 . 16 1 1 A 14 14 PRO CA C 14 63.380 65.334 -1.954 1
1 78 . 16 1 1 A 14 14 PRO CB C 14 31.960 31.941 0.019 1
1 81 . 16 1 1 A 15 15 GLN H H 15 8.411 7.748 0.663 1
1 82 . 16 1 1 A 15 15 GLN HA H 15 4.221 4.446 -0.225 1
1 88 . 16 1 1 A 15 15 GLN C C 15 175.815 174.948 0.867 1
1 89 . 16 1 1 A 15 15 GLN CA C 15 55.929 55.618 0.311 1
1 90 . 16 1 1 A 15 15 GLN CB C 15 29.270 29.778 -0.508 1
1 92 . 16 1 1 A 15 15 GLN N N 15 120.172 118.194 1.978 1
1 94 . 16 1 1 A 16 16 LYS H H 16 8.171 8.307 -0.136 1
1 95 . 16 1 1 A 16 16 LYS HA H 16 4.234 4.681 -0.447 1
1 102 . 16 1 1 A 16 16 LYS C C 16 176.196 176.231 -0.035 1
1 103 . 16 1 1 A 16 16 LYS CA C 16 56.236 54.392 1.844 1
1 104 . 16 1 1 A 16 16 LYS CB C 16 33.171 34.961 -1.790 1
1 108 . 16 1 1 A 16 16 LYS N N 16 122.238 119.644 2.594 1
1 109 . 16 1 1 A 17 17 PHE H H 17 8.257 8.860 -0.603 1
1 110 . 16 1 1 A 17 17 PHE HA H 17 4.715 4.144 0.571 1
1 117 . 16 1 1 A 17 17 PHE C C 17 175.737 178.022 -2.285 1
1 118 . 16 1 1 A 17 17 PHE CA C 17 57.341 60.742 -3.401 1
1 119 . 16 1 1 A 17 17 PHE CB C 17 39.776 38.871 0.905 1
1 124 . 16 1 1 A 17 17 PHE N N 17 121.572 122.537 -0.965 1
1 125 . 16 1 1 A 18 18 LYS H H 18 8.411 8.202 0.209 1
1 126 . 16 1 1 A 18 18 LYS HA H 18 4.285 4.192 0.093 1
1 132 . 16 1 1 A 18 18 LYS C C 18 176.317 176.850 -0.533 1
1 133 . 16 1 1 A 18 18 LYS CA C 18 56.146 58.880 -2.734 1
1 134 . 16 1 1 A 18 18 LYS CB C 18 33.269 32.098 1.171 1
1 138 . 16 1 1 A 18 18 LYS N N 18 123.072 118.116 4.956 1
1 139 . 16 1 1 A 19 19 GLU H H 19 8.494 7.900 0.594 1
1 140 . 16 1 1 A 19 19 GLU HA H 19 4.243 4.685 -0.442 1
1 144 . 16 1 1 A 19 19 GLU C C 19 176.811 176.162 0.649 1
1 145 . 16 1 1 A 19 19 GLU CA C 19 56.916 55.305 1.611 1
1 146 . 16 1 1 A 19 19 GLU CB C 19 30.158 30.937 -0.779 1
1 148 . 16 1 1 A 19 19 GLU N N 19 123.032 118.946 4.086 1
1 149 . 16 1 1 A 20 20 LYS H H 20 8.530 8.562 -0.032 1
1 150 . 16 1 1 A 20 20 LYS HA H 20 4.560 4.840 -0.280 1
1 159 . 16 1 1 A 20 20 LYS C C 20 177.491 175.652 1.839 1
1 160 . 16 1 1 A 20 20 LYS CA C 20 56.105 54.438 1.667 1
1 161 . 16 1 1 A 20 20 LYS CB C 20 34.248 36.439 -2.191 1
1 165 . 16 1 1 A 20 20 LYS N N 20 123.545 120.739 2.806 1
1 166 . 16 1 1 A 21 21 THR H H 21 8.868 8.280 0.588 1
1 167 . 16 1 1 A 21 21 THR HA H 21 4.448 4.819 -0.371 1
1 172 . 16 1 1 A 21 21 THR C C 21 175.491 175.342 0.149 1
1 173 . 16 1 1 A 21 21 THR CA C 21 60.686 59.908 0.778 1
1 174 . 16 1 1 A 21 21 THR CB C 21 70.760 71.355 -0.595 1
1 176 . 16 1 1 A 21 21 THR N N 21 113.437 112.506 0.931 1
1 177 . 16 1 1 A 22 22 GLN H H 22 8.993 9.040 -0.047 1
1 178 . 16 1 1 A 22 22 GLN HA H 22 4.055 4.038 0.017 1
1 183 . 16 1 1 A 22 22 GLN C C 22 178.882 178.692 0.190 1
1 184 . 16 1 1 A 22 22 GLN CA C 22 58.899 59.527 -0.628 1
1 185 . 16 1 1 A 22 22 GLN CB C 22 28.366 28.642 -0.276 1
1 187 . 16 1 1 A 22 22 GLN N N 22 120.458 122.041 -1.583 1
1 188 . 16 1 1 A 23 23 GLY H H 23 8.580 8.410 0.170 1
1 189 . 16 1 1 A 23 23 GLY HA2 H 23 3.843 3.759 0.084 1
1 190 . 16 1 1 A 23 23 GLY HA3 H 23 3.843 3.761 0.082 1
1 191 . 16 1 1 A 23 23 GLY C C 23 176.518 175.902 0.616 1
1 192 . 16 1 1 A 23 23 GLY CA C 23 46.750 47.266 -0.516 1
1 193 . 16 1 1 A 23 23 GLY N N 23 107.047 106.954 0.093 1
1 194 . 16 1 1 A 24 24 GLN H H 24 7.771 7.448 0.323 1
1 195 . 16 1 1 A 24 24 GLN HA H 24 3.844 3.906 -0.062 1
1 202 . 16 1 1 A 24 24 GLN C C 24 177.564 178.488 -0.924 1
1 203 . 16 1 1 A 24 24 GLN CA C 24 59.397 58.698 0.699 1
1 204 . 16 1 1 A 24 24 GLN CB C 24 29.250 28.447 0.803 1
1 206 . 16 1 1 A 24 24 GLN N N 24 120.555 121.040 -0.485 1
1 208 . 16 1 1 A 25 25 VAL H H 25 8.029 8.137 -0.108 1
1 209 . 16 1 1 A 25 25 VAL HA H 25 3.163 3.300 -0.137 1
1 217 . 16 1 1 A 25 25 VAL C C 25 176.630 177.716 -1.086 1
1 218 . 16 1 1 A 25 25 VAL CA C 25 66.856 66.847 0.009 1
1 219 . 16 1 1 A 25 25 VAL CB C 25 31.543 31.421 0.122 1
1 222 . 16 1 1 A 25 25 VAL N N 25 117.187 120.058 -2.871 1
1 223 . 16 1 1 A 26 26 LYS H H 26 7.924 8.479 -0.555 1
1 224 . 16 1 1 A 26 26 LYS HA H 26 3.995 3.973 0.022 1
1 230 . 16 1 1 A 26 26 LYS C C 26 178.199 178.668 -0.469 1
1 231 . 16 1 1 A 26 26 LYS CA C 26 59.506 60.048 -0.542 1
1 232 . 16 1 1 A 26 26 LYS CB C 26 32.209 31.988 0.221 1
1 236 . 16 1 1 A 26 26 LYS N N 26 119.341 119.900 -0.559 1
1 237 . 16 1 1 A 27 27 ILE H H 27 7.033 7.718 -0.685 1
1 238 . 16 1 1 A 27 27 ILE HA H 27 3.706 3.669 0.037 1
1 248 . 16 1 1 A 27 27 ILE C C 27 179.280 178.754 0.526 1
1 249 . 16 1 1 A 27 27 ILE CA C 27 64.803 65.319 -0.516 1
1 250 . 16 1 1 A 27 27 ILE CB C 27 38.361 37.398 0.963 1
1 254 . 16 1 1 A 27 27 ILE N N 27 117.901 119.847 -1.946 1
1 255 . 16 1 1 A 28 28 LEU H H 28 7.400 7.639 -0.239 1
1 256 . 16 1 1 A 28 28 LEU HA H 28 3.563 3.959 -0.396 1
1 266 . 16 1 1 A 28 28 LEU C C 28 177.369 179.075 -1.706 1
1 267 . 16 1 1 A 28 28 LEU CA C 28 58.256 57.941 0.315 1
1 268 . 16 1 1 A 28 28 LEU CB C 28 37.957 40.147 -2.190 1
1 272 . 16 1 1 A 28 28 LEU N N 28 121.290 119.393 1.897 1
1 273 . 16 1 1 A 29 29 GLU H H 29 8.880 8.776 0.104 1
1 274 . 16 1 1 A 29 29 GLU HA H 29 4.327 4.155 0.172 1
1 278 . 16 1 1 A 29 29 GLU C C 29 179.216 178.860 0.356 1
1 279 . 16 1 1 A 29 29 GLU CA C 29 59.430 60.172 -0.742 1
1 280 . 16 1 1 A 29 29 GLU CB C 29 29.276 29.438 -0.162 1
1 282 . 16 1 1 A 29 29 GLU N N 29 120.487 118.674 1.813 1
1 283 . 16 1 1 A 30 30 ASP H H 30 8.313 8.437 -0.124 1
1 284 . 16 1 1 A 30 30 ASP HA H 30 4.422 4.418 0.004 1
1 287 . 16 1 1 A 30 30 ASP C C 30 179.036 178.649 0.387 1
1 288 . 16 1 1 A 30 30 ASP CA C 30 57.388 57.553 -0.165 1
1 289 . 16 1 1 A 30 30 ASP CB C 30 40.547 42.175 -1.628 1
1 290 . 16 1 1 A 30 30 ASP N N 30 118.471 120.672 -2.201 1
1 291 . 16 1 1 A 31 31 SER H H 31 7.406 8.038 -0.632 1
1 292 . 16 1 1 A 31 31 SER HA H 31 4.290 4.238 0.052 1
1 295 . 16 1 1 A 31 31 SER C C 31 177.290 176.145 1.145 1
1 296 . 16 1 1 A 31 31 SER CA C 31 61.575 62.521 -0.946 1
1 297 . 16 1 1 A 31 31 SER CB C 31 63.167 63.140 0.027 1
1 298 . 16 1 1 A 31 31 SER N N 31 113.187 116.842 -3.655 1
1 299 . 16 1 1 A 32 32 PHE H H 32 9.117 8.469 0.648 1
1 300 . 16 1 1 A 32 32 PHE HA H 32 4.369 4.655 -0.286 1
1 308 . 16 1 1 A 32 32 PHE C C 32 176.545 177.341 -0.796 1
1 309 . 16 1 1 A 32 32 PHE CA C 32 61.569 61.554 0.015 1
1 310 . 16 1 1 A 32 32 PHE CB C 32 39.362 39.009 0.353 1
1 316 . 16 1 1 A 32 32 PHE N N 32 121.840 122.897 -1.057 1
1 317 . 16 1 1 A 33 33 LEU H H 33 8.235 9.081 -0.846 1
1 318 . 16 1 1 A 33 33 LEU HA H 33 3.965 3.900 0.065 1
1 328 . 16 1 1 A 33 33 LEU C C 33 179.575 179.353 0.222 1
1 329 . 16 1 1 A 33 33 LEU CA C 33 56.998 58.153 -1.155 1
1 330 . 16 1 1 A 33 33 LEU CB C 33 42.053 41.889 0.164 1
1 334 . 16 1 1 A 33 33 LEU N N 33 115.363 119.903 -4.540 1
1 335 . 16 1 1 A 34 34 LYS H H 34 7.509 7.771 -0.262 1
1 336 . 16 1 1 A 34 34 LYS HA H 34 4.174 4.229 -0.055 1
1 343 . 16 1 1 A 34 34 LYS C C 34 178.190 176.488 1.702 1
1 344 . 16 1 1 A 34 34 LYS CA C 34 58.819 58.177 0.642 1
1 345 . 16 1 1 A 34 34 LYS CB C 34 32.352 32.552 -0.200 1
1 349 . 16 1 1 A 34 34 LYS N N 34 119.688 117.515 2.173 1
1 350 . 16 1 1 A 35 35 SER H H 35 8.130 7.848 0.282 1
1 351 . 16 1 1 A 35 35 SER HA H 35 4.379 4.625 -0.246 1
1 354 . 16 1 1 A 35 35 SER C C 35 174.000 174.382 -0.382 1
1 355 . 16 1 1 A 35 35 SER CA C 35 58.202 57.291 0.911 1
1 356 . 16 1 1 A 35 35 SER CB C 35 64.375 64.527 -0.152 1
1 357 . 16 1 1 A 35 35 SER N N 35 112.275 115.389 -3.114 1
1 358 . 16 1 1 A 36 36 SER H H 36 8.404 8.663 -0.259 1
1 359 . 16 1 1 A 36 36 SER HA H 36 3.952 2.901 1.051 1
1 362 . 16 1 1 A 36 36 SER C C 36 172.467 174.942 -2.475 1
1 363 . 16 1 1 A 36 36 SER CA C 36 59.127 62.218 -3.091 1
1 364 . 16 1 1 A 36 36 SER CB C 36 63.788 62.483 1.305 1
1 365 . 16 1 1 A 36 36 SER N N 36 121.307 121.354 -0.047 1
1 366 . 16 1 1 A 37 37 PHE H H 37 7.735 8.168 -0.433 1
1 367 . 16 1 1 A 37 37 PHE HA H 37 4.859 5.062 -0.203 1
1 375 . 16 1 1 A 37 37 PHE C C 37 172.549 173.904 -1.355 1
1 376 . 16 1 1 A 37 37 PHE CA C 37 55.604 55.117 0.487 1
1 377 . 16 1 1 A 37 37 PHE CB C 37 39.842 39.082 0.760 1
1 383 . 16 1 1 A 37 37 PHE N N 37 118.373 117.463 0.910 1
1 384 . 16 1 1 A 38 38 PRO HA H 38 4.391 4.646 -0.255 1
1 391 . 16 1 1 A 38 38 PRO C C 38 177.660 175.372 2.288 1
1 392 . 16 1 1 A 38 38 PRO CA C 38 62.193 62.376 -0.183 1
1 393 . 16 1 1 A 38 38 PRO CB C 38 31.490 32.926 -1.436 1
1 396 . 16 1 1 A 39 39 THR H H 39 7.809 8.374 -0.565 1
1 397 . 16 1 1 A 39 39 THR HA H 39 4.322 4.939 -0.617 1
1 402 . 16 1 1 A 39 39 THR C C 39 174.966 175.003 -0.037 1
1 403 . 16 1 1 A 39 39 THR CA C 39 60.648 59.650 0.998 1
1 404 . 16 1 1 A 39 39 THR CB C 39 71.192 71.152 0.040 1
1 406 . 16 1 1 A 39 39 THR N N 39 111.373 116.387 -5.014 1
1 407 . 16 1 1 A 40 40 GLN H H 40 8.880 9.098 -0.218 1
1 408 . 16 1 1 A 40 40 GLN HA H 40 3.907 3.931 -0.024 1
1 414 . 16 1 1 A 40 40 GLN C C 40 177.855 178.073 -0.218 1
1 415 . 16 1 1 A 40 40 GLN CA C 40 59.243 59.657 -0.414 1
1 416 . 16 1 1 A 40 40 GLN CB C 40 28.107 28.365 -0.258 1
1 418 . 16 1 1 A 40 40 GLN N N 40 120.143 126.539 -6.396 1
1 420 . 16 1 1 A 41 41 ALA H H 41 8.286 8.073 0.213 1
1 421 . 16 1 1 A 41 41 ALA HA H 41 4.212 3.982 0.230 1
1 425 . 16 1 1 A 41 41 ALA C C 41 180.741 179.283 1.458 1
1 426 . 16 1 1 A 41 41 ALA CA C 41 55.009 55.518 -0.509 1
1 427 . 16 1 1 A 41 41 ALA CB C 41 18.111 18.544 -0.433 1
1 428 . 16 1 1 A 41 41 ALA N N 41 119.773 122.370 -2.597 1
1 429 . 16 1 1 A 42 42 GLU H H 42 7.772 8.296 -0.524 1
1 430 . 16 1 1 A 42 42 GLU HA H 42 4.673 4.011 0.662 1
1 435 . 16 1 1 A 42 42 GLU C C 42 178.478 178.678 -0.200 1
1 436 . 16 1 1 A 42 42 GLU CA C 42 57.730 59.805 -2.075 1
1 437 . 16 1 1 A 42 42 GLU CB C 42 28.610 29.540 -0.930 1
1 439 . 16 1 1 A 42 42 GLU N N 42 122.141 118.542 3.599 1
1 440 . 16 1 1 A 43 43 LEU H H 43 8.472 7.975 0.497 1
1 441 . 16 1 1 A 43 43 LEU HA H 43 3.924 3.844 0.080 1
1 451 . 16 1 1 A 43 43 LEU C C 43 179.842 178.517 1.325 1
1 452 . 16 1 1 A 43 43 LEU CA C 43 58.828 57.681 1.147 1
1 453 . 16 1 1 A 43 43 LEU CB C 43 41.540 41.608 -0.068 1
1 457 . 16 1 1 A 43 43 LEU N N 43 121.542 120.620 0.922 1
1 458 . 16 1 1 A 44 44 ASP H H 44 8.384 7.956 0.428 1
1 459 . 16 1 1 A 44 44 ASP HA H 44 4.447 4.245 0.202 1
1 462 . 16 1 1 A 44 44 ASP C C 44 178.428 178.962 -0.534 1
1 463 . 16 1 1 A 44 44 ASP CA C 44 57.812 57.587 0.225 1
1 464 . 16 1 1 A 44 44 ASP CB C 44 40.226 40.908 -0.682 1
1 465 . 16 1 1 A 44 44 ASP N N 44 119.756 118.474 1.282 1
1 466 . 16 1 1 A 45 45 ARG H H 45 7.979 7.955 0.024 1
1 467 . 16 1 1 A 45 45 ARG HA H 45 4.058 4.150 -0.092 1
1 475 . 16 1 1 A 45 45 ARG C C 45 179.249 179.073 0.176 1
1 476 . 16 1 1 A 45 45 ARG CA C 45 59.629 58.432 1.197 1
1 477 . 16 1 1 A 45 45 ARG CB C 45 30.553 29.593 0.960 1
1 480 . 16 1 1 A 45 45 ARG N N 45 123.029 119.817 3.212 1
1 482 . 16 1 1 A 46 46 LEU H H 46 8.943 8.297 0.646 1
1 483 . 16 1 1 A 46 46 LEU HA H 46 3.922 4.198 -0.276 1
1 493 . 16 1 1 A 46 46 LEU C C 46 180.973 178.662 2.311 1
1 494 . 16 1 1 A 46 46 LEU CA C 46 57.885 57.805 0.080 1
1 495 . 16 1 1 A 46 46 LEU CB C 46 42.943 41.550 1.393 1
1 499 . 16 1 1 A 46 46 LEU N N 46 118.282 119.973 -1.691 1
1 500 . 16 1 1 A 47 47 ARG H H 47 8.421 8.209 0.212 1
1 501 . 16 1 1 A 47 47 ARG HA H 47 4.050 3.890 0.160 1
1 508 . 16 1 1 A 47 47 ARG C C 47 178.760 178.657 0.103 1
1 509 . 16 1 1 A 47 47 ARG CA C 47 60.366 59.499 0.867 1
1 510 . 16 1 1 A 47 47 ARG CB C 47 29.957 30.012 -0.055 1
1 513 . 16 1 1 A 47 47 ARG N N 47 125.416 117.598 7.818 1
1 514 . 16 1 1 A 48 48 VAL H H 48 7.626 8.154 -0.528 1
1 515 . 16 1 1 A 48 48 VAL HA H 48 3.700 3.715 -0.015 1
1 523 . 16 1 1 A 48 48 VAL C C 48 178.628 177.630 0.998 1
1 524 . 16 1 1 A 48 48 VAL CA C 48 66.325 64.969 1.356 1
1 525 . 16 1 1 A 48 48 VAL CB C 48 31.902 31.143 0.759 1
1 528 . 16 1 1 A 48 48 VAL N N 48 119.769 119.492 0.277 1
1 529 . 16 1 1 A 49 49 GLU H H 49 8.419 8.522 -0.103 1
1 530 . 16 1 1 A 49 49 GLU HA H 49 4.202 4.014 0.188 1
1 534 . 16 1 1 A 49 49 GLU C C 49 178.866 178.722 0.144 1
1 535 . 16 1 1 A 49 49 GLU CA C 49 59.062 59.375 -0.313 1
1 536 . 16 1 1 A 49 49 GLU CB C 49 30.950 29.467 1.483 1
1 538 . 16 1 1 A 49 49 GLU N N 49 116.074 121.322 -5.248 1
1 539 . 16 1 1 A 50 50 THR H H 50 8.436 8.199 0.237 1
1 540 . 16 1 1 A 50 50 THR HA H 50 4.335 4.284 0.051 1
1 545 . 16 1 1 A 50 50 THR C C 50 175.412 174.169 1.243 1
1 546 . 16 1 1 A 50 50 THR CA C 50 63.447 62.361 1.086 1
1 547 . 16 1 1 A 50 50 THR CB C 50 71.702 69.183 2.519 1
1 549 . 16 1 1 A 50 50 THR N N 50 105.198 110.088 -4.890 1
1 550 . 16 1 1 A 51 51 LYS H H 51 7.745 7.904 -0.159 1
1 551 . 16 1 1 A 51 51 LYS HA H 51 4.032 3.787 0.245 1
1 559 . 16 1 1 A 51 51 LYS C C 51 175.949 174.486 1.463 1
1 560 . 16 1 1 A 51 51 LYS CA C 51 58.428 57.352 1.076 1
1 561 . 16 1 1 A 51 51 LYS CB C 51 29.225 29.206 0.019 1
1 565 . 16 1 1 A 51 51 LYS N N 51 114.904 116.866 -1.962 1
1 566 . 16 1 1 A 52 52 LEU H H 52 7.679 7.992 -0.313 1
1 567 . 16 1 1 A 52 52 LEU HA H 52 4.519 4.808 -0.289 1
1 577 . 16 1 1 A 52 52 LEU C C 52 176.301 176.196 0.105 1
1 578 . 16 1 1 A 52 52 LEU CA C 52 53.820 53.277 0.543 1
1 579 . 16 1 1 A 52 52 LEU CB C 52 43.987 44.794 -0.807 1
1 583 . 16 1 1 A 52 52 LEU N N 52 120.156 119.086 1.070 1
1 584 . 16 1 1 A 53 53 SER H H 53 8.599 8.621 -0.022 1
1 585 . 16 1 1 A 53 53 SER HA H 53 4.454 4.451 0.003 1
1 588 . 16 1 1 A 53 53 SER C C 53 175.265 175.235 0.030 1
1 589 . 16 1 1 A 53 53 SER CA C 53 57.586 58.488 -0.902 1
1 590 . 16 1 1 A 53 53 SER CB C 53 65.402 64.263 1.139 1
1 591 . 16 1 1 A 53 53 SER N N 53 114.483 117.419 -2.936 1
1 592 . 16 1 1 A 54 54 ARG H H 54 9.030 8.971 0.059 1
1 593 . 16 1 1 A 54 54 ARG HA H 54 3.925 4.041 -0.116 1
1 599 . 16 1 1 A 54 54 ARG C C 54 178.621 177.781 0.840 1
1 600 . 16 1 1 A 54 54 ARG CA C 54 59.660 58.486 1.174 1
1 601 . 16 1 1 A 54 54 ARG CB C 54 29.594 29.991 -0.397 1
1 604 . 16 1 1 A 54 54 ARG N N 54 121.039 124.522 -3.483 1
1 605 . 16 1 1 A 55 55 ARG H H 55 8.472 7.879 0.593 1
1 606 . 16 1 1 A 55 55 ARG HA H 55 4.253 4.077 0.176 1
1 611 . 16 1 1 A 55 55 ARG C C 55 179.367 178.422 0.945 1
1 612 . 16 1 1 A 55 55 ARG CA C 55 59.387 59.280 0.107 1
1 613 . 16 1 1 A 55 55 ARG CB C 55 30.068 29.788 0.280 1
1 616 . 16 1 1 A 55 55 ARG N N 55 117.655 119.615 -1.960 1
1 617 . 16 1 1 A 56 56 GLU H H 56 7.849 8.102 -0.253 1
1 618 . 16 1 1 A 56 56 GLU HA H 56 3.909 4.039 -0.130 1
1 622 . 16 1 1 A 56 56 GLU C C 56 179.885 179.142 0.743 1
1 623 . 16 1 1 A 56 56 GLU CA C 56 59.421 59.340 0.081 1
1 624 . 16 1 1 A 56 56 GLU CB C 56 30.907 29.564 1.343 1
1 626 . 16 1 1 A 56 56 GLU N N 56 119.916 118.262 1.654 1
1 627 . 16 1 1 A 57 57 ILE H H 57 8.254 8.197 0.057 1
1 628 . 16 1 1 A 57 57 ILE HA H 57 3.732 3.860 -0.128 1
1 638 . 16 1 1 A 57 57 ILE C C 57 177.586 177.648 -0.062 1
1 639 . 16 1 1 A 57 57 ILE CA C 57 66.553 65.536 1.017 1
1 640 . 16 1 1 A 57 57 ILE CB C 57 38.596 37.845 0.751 1
1 644 . 16 1 1 A 57 57 ILE N N 57 122.354 120.749 1.605 1
1 645 . 16 1 1 A 58 58 ASP H H 58 8.899 7.975 0.924 1
1 646 . 16 1 1 A 58 58 ASP HA H 58 4.621 4.327 0.294 1
1 649 . 16 1 1 A 58 58 ASP C C 58 180.161 178.377 1.784 1
1 650 . 16 1 1 A 58 58 ASP CA C 58 58.114 57.584 0.530 1
1 651 . 16 1 1 A 58 58 ASP CB C 58 40.817 41.234 -0.417 1
1 652 . 16 1 1 A 58 58 ASP N N 58 121.029 121.578 -0.549 1
1 653 . 16 1 1 A 59 59 SER H H 59 8.321 7.865 0.456 1
1 654 . 16 1 1 A 59 59 SER HA H 59 4.371 4.233 0.138 1
1 656 . 16 1 1 A 59 59 SER C C 59 176.017 176.848 -0.831 1
1 657 . 16 1 1 A 59 59 SER CA C 59 61.870 61.405 0.465 1
1 658 . 16 1 1 A 59 59 SER CB C 59 63.076 62.793 0.283 1
1 659 . 16 1 1 A 59 59 SER N N 59 114.708 113.569 1.139 1
1 660 . 16 1 1 A 60 60 TRP H H 60 8.209 7.991 0.218 1
1 661 . 16 1 1 A 60 60 TRP HA H 60 4.019 4.180 -0.161 1
1 670 . 16 1 1 A 60 60 TRP C C 60 179.214 178.415 0.799 1
1 671 . 16 1 1 A 60 60 TRP CA C 60 62.981 61.187 1.794 1
1 672 . 16 1 1 A 60 60 TRP CB C 60 28.693 29.611 -0.918 1
1 678 . 16 1 1 A 60 60 TRP N N 60 123.289 123.799 -0.510 1
1 680 . 16 1 1 A 61 61 PHE H H 61 8.941 8.417 0.524 1
1 681 . 16 1 1 A 61 61 PHE HA H 61 3.798 3.728 0.070 1
1 689 . 16 1 1 A 61 61 PHE C C 61 178.097 177.959 0.138 1
1 690 . 16 1 1 A 61 61 PHE CA C 61 63.866 61.322 2.544 1
1 691 . 16 1 1 A 61 61 PHE CB C 61 39.642 38.643 0.999 1
1 697 . 16 1 1 A 61 61 PHE N N 61 118.838 117.941 0.897 1
1 698 . 16 1 1 A 62 62 SER H H 62 8.179 7.996 0.183 1
1 699 . 16 1 1 A 62 62 SER HA H 62 4.134 4.011 0.123 1
1 702 . 16 1 1 A 62 62 SER C C 62 177.996 176.602 1.394 1
1 703 . 16 1 1 A 62 62 SER CA C 62 62.064 62.274 -0.210 1
1 704 . 16 1 1 A 62 62 SER CB C 62 62.890 62.793 0.097 1
1 705 . 16 1 1 A 62 62 SER N N 62 113.145 115.283 -2.138 1
1 706 . 16 1 1 A 63 63 GLU H H 63 8.027 7.857 0.170 1
1 707 . 16 1 1 A 63 63 GLU HA H 63 3.910 4.119 -0.209 1
1 711 . 16 1 1 A 63 63 GLU C C 63 178.729 178.703 0.026 1
1 712 . 16 1 1 A 63 63 GLU CA C 63 58.637 59.043 -0.406 1
1 713 . 16 1 1 A 63 63 GLU CB C 63 29.188 29.641 -0.453 1
1 715 . 16 1 1 A 63 63 GLU N N 63 120.533 121.714 -1.181 1
1 716 . 16 1 1 A 64 64 ARG H H 64 8.166 7.962 0.204 1
1 717 . 16 1 1 A 64 64 ARG HA H 64 3.498 3.482 0.016 1
1 725 . 16 1 1 A 64 64 ARG C C 64 179.466 178.223 1.243 1
1 726 . 16 1 1 A 64 64 ARG CA C 64 56.502 58.236 -1.734 1
1 727 . 16 1 1 A 64 64 ARG CB C 64 28.148 28.795 -0.647 1
1 730 . 16 1 1 A 64 64 ARG N N 64 122.505 120.375 2.130 1
1 732 . 16 1 1 A 65 65 ARG H H 65 8.002 7.536 0.466 1
1 733 . 16 1 1 A 65 65 ARG HA H 65 4.086 4.402 -0.316 1
1 740 . 16 1 1 A 65 65 ARG C C 65 177.832 179.143 -1.311 1
1 741 . 16 1 1 A 65 65 ARG CA C 65 60.054 59.348 0.706 1
1 742 . 16 1 1 A 65 65 ARG CB C 65 31.425 30.308 1.117 1
1 745 . 16 1 1 A 65 65 ARG N N 65 117.887 118.932 -1.045 1
1 746 . 16 1 1 A 66 66 LYS H H 66 7.356 8.368 -1.012 1
1 747 . 16 1 1 A 66 66 LYS HA H 66 4.141 4.096 0.045 1
1 753 . 16 1 1 A 66 66 LYS C C 66 178.353 179.023 -0.670 1
1 754 . 16 1 1 A 66 66 LYS CA C 66 58.444 59.042 -0.598 1
1 755 . 16 1 1 A 66 66 LYS CB C 66 32.288 31.837 0.451 1
1 759 . 16 1 1 A 66 66 LYS N N 66 118.479 118.788 -0.309 1
1 760 . 16 1 1 A 67 67 LEU H H 67 7.604 8.146 -0.542 1
1 761 . 16 1 1 A 67 67 LEU HA H 67 4.143 3.875 0.268 1
1 771 . 16 1 1 A 67 67 LEU C C 67 178.510 178.710 -0.200 1
1 772 . 16 1 1 A 67 67 LEU CA C 67 56.712 57.702 -0.990 1
1 773 . 16 1 1 A 67 67 LEU CB C 67 41.857 41.642 0.215 1
1 777 . 16 1 1 A 67 67 LEU N N 67 120.424 120.902 -0.478 1
1 778 . 16 1 1 A 68 68 ARG H H 68 7.914 7.886 0.028 1
1 779 . 16 1 1 A 68 68 ARG HA H 68 4.262 3.979 0.283 1
1 786 . 16 1 1 A 68 68 ARG C C 68 177.396 178.283 -0.887 1
1 787 . 16 1 1 A 68 68 ARG CA C 68 57.589 59.641 -2.052 1
1 788 . 16 1 1 A 68 68 ARG CB C 68 30.211 29.957 0.254 1
1 791 . 16 1 1 A 68 68 ARG N N 68 120.638 118.919 1.719 1
1 792 . 16 1 1 A 69 69 ASP H H 69 8.337 8.026 0.311 1
1 793 . 16 1 1 A 69 69 ASP HA H 69 4.592 4.385 0.207 1
1 796 . 16 1 1 A 69 69 ASP C C 69 176.826 178.013 -1.187 1
1 797 . 16 1 1 A 69 69 ASP CA C 69 55.527 57.050 -1.523 1
1 798 . 16 1 1 A 69 69 ASP CB C 69 40.833 40.951 -0.118 1
1 799 . 16 1 1 A 69 69 ASP N N 69 119.845 120.292 -0.447 1
1 800 . 16 1 1 A 70 70 SER H H 70 8.002 8.284 -0.282 1
1 801 . 16 1 1 A 70 70 SER HA H 70 4.473 4.187 0.286 1
1 804 . 16 1 1 A 70 70 SER C C 70 174.524 173.497 1.027 1
1 805 . 16 1 1 A 70 70 SER CA C 70 59.070 61.558 -2.488 1
1 806 . 16 1 1 A 70 70 SER CB C 70 63.887 63.250 0.637 1
1 807 . 16 1 1 A 70 70 SER N N 70 114.740 113.471 1.269 1
1 808 . 16 1 1 A 71 71 MET H H 71 8.117 7.759 0.358 1
1 809 . 16 1 1 A 71 71 MET HA H 71 4.559 4.767 -0.208 1
1 817 . 16 1 1 A 71 71 MET C C 71 175.392 176.300 -0.908 1
1 818 . 16 1 1 A 71 71 MET CA C 71 55.711 54.215 1.496 1
1 819 . 16 1 1 A 71 71 MET CB C 71 33.246 35.255 -2.009 1
1 822 . 16 1 1 A 71 71 MET N N 71 121.694 116.731 4.963 1
1 823 . 16 1 1 A 72 72 GLU HA H 72 4.245 4.095 0.150 1
1 827 . 16 1 1 A 72 72 GLU C C 72 177.767 177.259 0.508 1
1 828 . 16 1 1 A 72 72 GLU CA C 72 57.871 57.175 0.696 1
1 829 . 16 1 1 A 72 72 GLU CB C 72 29.798 28.705 1.093 1
1 831 . 16 1 1 A 73 73 GLN H H 73 8.210 8.096 0.114 1
1 832 . 16 1 1 A 73 73 GLN HA H 73 4.177 4.061 0.116 1
1 836 . 16 1 1 A 73 73 GLN C C 73 176.422 176.557 -0.135 1
1 837 . 16 1 1 A 73 73 GLN CA C 73 56.899 58.574 -1.675 1
1 838 . 16 1 1 A 73 73 GLN CB C 73 28.852 28.539 0.313 1
1 840 . 16 1 1 A 73 73 GLN N N 73 120.076 119.443 0.633 1
1 841 . 16 1 1 A 74 74 ALA H H 74 8.099 7.639 0.460 1
1 842 . 16 1 1 A 74 74 ALA HA H 74 4.239 4.314 -0.075 1
1 846 . 16 1 1 A 74 74 ALA C C 74 178.960 177.507 1.453 1
1 847 . 16 1 1 A 74 74 ALA CA C 74 53.837 52.623 1.214 1
1 848 . 16 1 1 A 74 74 ALA CB C 74 18.794 19.700 -0.906 1
1 849 . 16 1 1 A 74 74 ALA N N 74 123.168 122.765 0.403 1
1 850 . 16 1 1 A 75 75 VAL H H 75 7.886 8.325 -0.439 1
1 851 . 16 1 1 A 75 75 VAL HA H 75 3.985 4.710 -0.725 1
1 859 . 16 1 1 A 75 75 VAL C C 75 177.376 175.121 2.255 1
1 860 . 16 1 1 A 75 75 VAL CA C 75 63.895 59.605 4.290 1
1 861 . 16 1 1 A 75 75 VAL CB C 75 32.450 34.357 -1.907 1
1 864 . 16 1 1 A 75 75 VAL N N 75 119.018 115.100 3.918 1
1 865 . 16 1 1 A 76 76 LEU H H 76 8.074 8.283 -0.209 1
1 866 . 16 1 1 A 76 76 LEU HA H 76 4.291 4.531 -0.240 1
1 876 . 16 1 1 A 76 76 LEU C C 76 178.363 175.674 2.689 1
1 877 . 16 1 1 A 76 76 LEU CA C 76 56.247 55.743 0.504 1
1 878 . 16 1 1 A 76 76 LEU CB C 76 42.342 42.491 -0.149 1
1 882 . 16 1 1 A 76 76 LEU N N 76 124.324 124.160 0.164 1
1 883 . 16 1 1 A 77 77 ASP H H 77 8.443 8.228 0.215 1
1 884 . 16 1 1 A 77 77 ASP HA H 77 4.593 5.279 -0.686 1
1 887 . 16 1 1 A 77 77 ASP C C 77 177.224 176.345 0.879 1
1 888 . 16 1 1 A 77 77 ASP CA C 77 55.364 52.572 2.792 1
1 889 . 16 1 1 A 77 77 ASP CB C 77 40.970 42.729 -1.759 1
1 890 . 16 1 1 A 77 77 ASP N N 77 120.595 125.930 -5.335 1
1 891 . 16 1 1 A 78 78 SER H H 78 8.121 9.088 -0.967 1
1 892 . 16 1 1 A 78 78 SER HA H 78 4.421 4.130 0.291 1
1 894 . 16 1 1 A 78 78 SER C C 78 175.244 174.410 0.834 1
1 895 . 16 1 1 A 78 78 SER CA C 78 58.809 61.259 -2.450 1
1 896 . 16 1 1 A 78 78 SER CB C 78 63.674 62.967 0.707 1
1 897 . 16 1 1 A 78 78 SER N N 78 115.700 118.267 -2.567 1
1 898 . 16 1 1 A 79 79 MET H H 79 8.202 8.212 -0.010 1
1 899 . 16 1 1 A 79 79 MET HA H 79 4.525 4.106 0.419 1
1 903 . 16 1 1 A 79 79 MET C C 79 177.199 174.849 2.350 1
1 904 . 16 1 1 A 79 79 MET CA C 79 56.010 56.402 -0.392 1
1 905 . 16 1 1 A 79 79 MET CB C 79 32.610 31.769 0.841 1
1 907 . 16 1 1 A 79 79 MET N N 79 121.204 119.242 1.962 1
1 908 . 16 1 1 A 80 80 GLY H H 80 8.268 7.690 0.578 1
1 909 . 16 1 1 A 80 80 GLY C C 80 174.529 172.313 2.216 1
1 910 . 16 1 1 A 80 80 GLY CA C 80 45.637 45.762 -0.125 1
1 911 . 16 1 1 A 80 80 GLY N N 80 109.108 105.194 3.914 1
1 912 . 16 1 1 A 81 81 SER HA H 81 4.478 4.400 0.078 1
1 915 . 16 1 1 A 81 81 SER C C 81 175.336 174.498 0.838 1
1 916 . 16 1 1 A 81 81 SER CA C 81 58.701 60.067 -1.366 1
1 917 . 16 1 1 A 81 81 SER CB C 81 63.977 63.457 0.520 1
1 918 . 16 1 1 A 82 82 GLY H H 82 8.526 8.912 -0.386 1
1 919 . 16 1 1 A 82 82 GLY HA2 H 82 4.018 3.994 0.024 1
1 920 . 16 1 1 A 82 82 GLY HA3 H 82 4.018 3.994 0.024 1
1 921 . 16 1 1 A 82 82 GLY C C 82 174.290 172.778 1.512 1
1 922 . 16 1 1 A 82 82 GLY CA C 82 45.485 46.915 -1.430 1
1 923 . 16 1 1 A 82 82 GLY N N 82 110.928 113.882 -2.954 1
1 924 . 16 1 1 A 83 83 LYS H H 83 8.159 8.186 -0.027 1
1 925 . 16 1 1 A 83 83 LYS C C 83 176.692 176.384 0.308 1
1 926 . 16 1 1 A 83 83 LYS CA C 83 56.216 54.855 1.361 1
1 927 . 16 1 1 A 83 83 LYS CB C 83 33.201 35.658 -2.457 1
1 928 . 16 1 1 A 83 83 LYS N N 83 120.759 124.295 -3.536 1
1 929 . 16 1 1 A 88 88 SER HA H 88 4.509 4.687 -0.178 1
1 932 . 16 1 1 A 88 88 SER C C 88 173.946 173.318 0.628 1
1 933 . 16 1 1 A 88 88 SER CA C 88 58.432 57.230 1.202 1
1 934 . 16 1 1 A 88 88 SER CB C 88 64.208 65.506 -1.298 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.940 4.111 -0.171 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.940 4.126 -0.186 1
1 3 . 17 1 1 A 7 7 GLY C C 7 173.532 172.462 1.070 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.255 45.149 0.106 1
1 5 . 17 1 1 A 8 8 ALA H H 8 8.010 8.663 -0.653 1
1 6 . 17 1 1 A 8 8 ALA HA H 8 4.259 4.515 -0.256 1
1 10 . 17 1 1 A 8 8 ALA C C 8 176.987 176.747 0.240 1
1 11 . 17 1 1 A 8 8 ALA CA C 8 52.334 51.616 0.718 1
1 12 . 17 1 1 A 8 8 ALA CB C 8 19.389 19.620 -0.231 1
1 13 . 17 1 1 A 8 8 ALA N N 8 123.317 128.096 -4.779 1
1 14 . 17 1 1 A 9 9 TYR H H 9 8.110 8.159 -0.049 1
1 15 . 17 1 1 A 9 9 TYR HA H 9 4.832 4.874 -0.042 1
1 22 . 17 1 1 A 9 9 TYR C C 9 174.112 174.255 -0.143 1
1 23 . 17 1 1 A 9 9 TYR CA C 9 55.642 56.842 -1.200 1
1 24 . 17 1 1 A 9 9 TYR CB C 9 38.292 39.280 -0.988 1
1 29 . 17 1 1 A 9 9 TYR N N 9 120.065 119.841 0.224 1
1 30 . 17 1 1 A 10 10 PRO HA H 10 4.377 4.696 -0.319 1
1 36 . 17 1 1 A 10 10 PRO C C 10 176.388 175.559 0.829 1
1 37 . 17 1 1 A 10 10 PRO CA C 10 63.332 63.193 0.139 1
1 38 . 17 1 1 A 10 10 PRO CB C 10 31.985 32.017 -0.032 1
1 41 . 17 1 1 A 11 11 ASP H H 11 8.249 8.690 -0.441 1
1 42 . 17 1 1 A 11 11 ASP HA H 11 4.537 5.502 -0.965 1
1 45 . 17 1 1 A 11 11 ASP C C 11 175.893 174.129 1.764 1
1 46 . 17 1 1 A 11 11 ASP CA C 11 54.410 52.625 1.785 1
1 47 . 17 1 1 A 11 11 ASP CB C 11 41.149 44.531 -3.382 1
1 48 . 17 1 1 A 11 11 ASP N N 11 119.884 121.753 -1.869 1
1 49 . 17 1 1 A 12 12 PHE H H 12 8.028 8.893 -0.865 1
1 50 . 17 1 1 A 12 12 PHE HA H 12 4.616 5.075 -0.459 1
1 55 . 17 1 1 A 12 12 PHE C C 12 175.001 173.862 1.139 1
1 56 . 17 1 1 A 12 12 PHE CA C 12 57.417 56.712 0.705 1
1 57 . 17 1 1 A 12 12 PHE CB C 12 39.577 41.531 -1.954 1
1 60 . 17 1 1 A 12 12 PHE N N 12 119.972 123.413 -3.441 1
1 61 . 17 1 1 A 13 13 ALA H H 13 8.118 8.505 -0.387 1
1 62 . 17 1 1 A 13 13 ALA HA H 13 4.570 4.484 0.086 1
1 66 . 17 1 1 A 13 13 ALA C C 13 175.002 175.629 -0.627 1
1 67 . 17 1 1 A 13 13 ALA CA C 13 50.500 50.064 0.436 1
1 68 . 17 1 1 A 13 13 ALA CB C 13 18.532 19.324 -0.792 1
1 69 . 17 1 1 A 13 13 ALA N N 13 126.968 130.282 -3.314 1
1 70 . 17 1 1 A 14 14 PRO HA H 14 4.349 4.418 -0.069 1
1 76 . 17 1 1 A 14 14 PRO C C 14 177.054 176.002 1.052 1
1 77 . 17 1 1 A 14 14 PRO CA C 14 63.380 62.545 0.835 1
1 78 . 17 1 1 A 14 14 PRO CB C 14 31.960 32.549 -0.589 1
1 81 . 17 1 1 A 15 15 GLN H H 15 8.411 8.394 0.017 1
1 82 . 17 1 1 A 15 15 GLN HA H 15 4.221 5.068 -0.847 1
1 88 . 17 1 1 A 15 15 GLN C C 15 175.815 174.635 1.180 1
1 89 . 17 1 1 A 15 15 GLN CA C 15 55.929 53.882 2.047 1
1 90 . 17 1 1 A 15 15 GLN CB C 15 29.270 31.504 -2.234 1
1 92 . 17 1 1 A 15 15 GLN N N 15 120.172 116.719 3.453 1
1 94 . 17 1 1 A 16 16 LYS H H 16 8.171 8.682 -0.511 1
1 95 . 17 1 1 A 16 16 LYS HA H 16 4.234 4.580 -0.346 1
1 102 . 17 1 1 A 16 16 LYS C C 16 176.196 175.228 0.968 1
1 103 . 17 1 1 A 16 16 LYS CA C 16 56.236 54.577 1.659 1
1 104 . 17 1 1 A 16 16 LYS CB C 16 33.171 37.103 -3.932 1
1 108 . 17 1 1 A 16 16 LYS N N 16 122.238 123.600 -1.362 1
1 109 . 17 1 1 A 17 17 PHE H H 17 8.257 8.709 -0.452 1
1 110 . 17 1 1 A 17 17 PHE HA H 17 4.715 5.234 -0.519 1
1 117 . 17 1 1 A 17 17 PHE C C 17 175.737 175.750 -0.013 1
1 118 . 17 1 1 A 17 17 PHE CA C 17 57.341 57.202 0.139 1
1 119 . 17 1 1 A 17 17 PHE CB C 17 39.776 40.122 -0.346 1
1 124 . 17 1 1 A 17 17 PHE N N 17 121.572 119.265 2.307 1
1 125 . 17 1 1 A 18 18 LYS H H 18 8.411 8.710 -0.299 1
1 126 . 17 1 1 A 18 18 LYS HA H 18 4.285 4.971 -0.686 1
1 132 . 17 1 1 A 18 18 LYS C C 18 176.317 176.208 0.109 1
1 133 . 17 1 1 A 18 18 LYS CA C 18 56.146 54.309 1.837 1
1 134 . 17 1 1 A 18 18 LYS CB C 18 33.269 36.747 -3.478 1
1 138 . 17 1 1 A 18 18 LYS N N 18 123.072 123.122 -0.050 1
1 139 . 17 1 1 A 19 19 GLU H H 19 8.494 8.540 -0.046 1
1 140 . 17 1 1 A 19 19 GLU HA H 19 4.243 4.387 -0.144 1
1 144 . 17 1 1 A 19 19 GLU C C 19 176.811 176.199 0.612 1
1 145 . 17 1 1 A 19 19 GLU CA C 19 56.916 57.109 -0.193 1
1 146 . 17 1 1 A 19 19 GLU CB C 19 30.158 30.510 -0.352 1
1 148 . 17 1 1 A 19 19 GLU N N 19 123.032 121.595 1.437 1
1 149 . 17 1 1 A 20 20 LYS H H 20 8.530 8.616 -0.086 1
1 150 . 17 1 1 A 20 20 LYS HA H 20 4.560 4.808 -0.248 1
1 159 . 17 1 1 A 20 20 LYS C C 20 177.491 175.956 1.535 1
1 160 . 17 1 1 A 20 20 LYS CA C 20 56.105 55.193 0.912 1
1 161 . 17 1 1 A 20 20 LYS CB C 20 34.248 33.940 0.308 1
1 165 . 17 1 1 A 20 20 LYS N N 20 123.545 121.647 1.898 1
1 166 . 17 1 1 A 21 21 THR H H 21 8.868 8.830 0.038 1
1 167 . 17 1 1 A 21 21 THR HA H 21 4.448 4.484 -0.036 1
1 172 . 17 1 1 A 21 21 THR C C 21 175.491 175.703 -0.212 1
1 173 . 17 1 1 A 21 21 THR CA C 21 60.686 61.925 -1.239 1
1 174 . 17 1 1 A 21 21 THR CB C 21 70.760 69.353 1.407 1
1 176 . 17 1 1 A 21 21 THR N N 21 113.437 120.141 -6.704 1
1 177 . 17 1 1 A 22 22 GLN H H 22 8.993 9.081 -0.088 1
1 178 . 17 1 1 A 22 22 GLN HA H 22 4.055 3.973 0.082 1
1 183 . 17 1 1 A 22 22 GLN C C 22 178.882 179.051 -0.169 1
1 184 . 17 1 1 A 22 22 GLN CA C 22 58.899 58.792 0.107 1
1 185 . 17 1 1 A 22 22 GLN CB C 22 28.366 28.495 -0.129 1
1 187 . 17 1 1 A 22 22 GLN N N 22 120.458 126.905 -6.447 1
1 188 . 17 1 1 A 23 23 GLY H H 23 8.580 8.434 0.146 1
1 189 . 17 1 1 A 23 23 GLY HA2 H 23 3.843 3.715 0.128 1
1 190 . 17 1 1 A 23 23 GLY HA3 H 23 3.843 3.715 0.128 1
1 191 . 17 1 1 A 23 23 GLY C C 23 176.518 175.491 1.027 1
1 192 . 17 1 1 A 23 23 GLY CA C 23 46.750 47.448 -0.698 1
1 193 . 17 1 1 A 23 23 GLY N N 23 107.047 109.638 -2.591 1
1 194 . 17 1 1 A 24 24 GLN H H 24 7.771 7.956 -0.185 1
1 195 . 17 1 1 A 24 24 GLN HA H 24 3.844 3.998 -0.154 1
1 202 . 17 1 1 A 24 24 GLN C C 24 177.564 178.339 -0.775 1
1 203 . 17 1 1 A 24 24 GLN CA C 24 59.397 58.664 0.733 1
1 204 . 17 1 1 A 24 24 GLN CB C 24 29.250 28.338 0.912 1
1 206 . 17 1 1 A 24 24 GLN N N 24 120.555 121.108 -0.553 1
1 208 . 17 1 1 A 25 25 VAL H H 25 8.029 8.050 -0.021 1
1 209 . 17 1 1 A 25 25 VAL HA H 25 3.163 3.335 -0.172 1
1 217 . 17 1 1 A 25 25 VAL C C 25 176.630 177.570 -0.940 1
1 218 . 17 1 1 A 25 25 VAL CA C 25 66.856 66.893 -0.037 1
1 219 . 17 1 1 A 25 25 VAL CB C 25 31.543 31.406 0.137 1
1 222 . 17 1 1 A 25 25 VAL N N 25 117.187 120.514 -3.327 1
1 223 . 17 1 1 A 26 26 LYS H H 26 7.924 8.107 -0.183 1
1 224 . 17 1 1 A 26 26 LYS HA H 26 3.995 3.956 0.039 1
1 230 . 17 1 1 A 26 26 LYS C C 26 178.199 179.516 -1.317 1
1 231 . 17 1 1 A 26 26 LYS CA C 26 59.506 59.719 -0.213 1
1 232 . 17 1 1 A 26 26 LYS CB C 26 32.209 32.617 -0.408 1
1 236 . 17 1 1 A 26 26 LYS N N 26 119.341 118.660 0.681 1
1 237 . 17 1 1 A 27 27 ILE H H 27 7.033 7.684 -0.651 1
1 238 . 17 1 1 A 27 27 ILE HA H 27 3.706 3.629 0.077 1
1 248 . 17 1 1 A 27 27 ILE C C 27 179.280 178.724 0.556 1
1 249 . 17 1 1 A 27 27 ILE CA C 27 64.803 65.173 -0.370 1
1 250 . 17 1 1 A 27 27 ILE CB C 27 38.361 37.250 1.111 1
1 254 . 17 1 1 A 27 27 ILE N N 27 117.901 120.555 -2.654 1
1 255 . 17 1 1 A 28 28 LEU H H 28 7.400 7.591 -0.191 1
1 256 . 17 1 1 A 28 28 LEU HA H 28 3.563 3.811 -0.248 1
1 266 . 17 1 1 A 28 28 LEU C C 28 177.369 178.511 -1.142 1
1 267 . 17 1 1 A 28 28 LEU CA C 28 58.256 58.029 0.227 1
1 268 . 17 1 1 A 28 28 LEU CB C 28 37.957 40.908 -2.951 1
1 272 . 17 1 1 A 28 28 LEU N N 28 121.290 120.143 1.147 1
1 273 . 17 1 1 A 29 29 GLU H H 29 8.880 8.550 0.330 1
1 274 . 17 1 1 A 29 29 GLU HA H 29 4.327 4.148 0.179 1
1 278 . 17 1 1 A 29 29 GLU C C 29 179.216 179.072 0.144 1
1 279 . 17 1 1 A 29 29 GLU CA C 29 59.430 59.912 -0.482 1
1 280 . 17 1 1 A 29 29 GLU CB C 29 29.276 29.380 -0.104 1
1 282 . 17 1 1 A 29 29 GLU N N 29 120.487 116.883 3.604 1
1 283 . 17 1 1 A 30 30 ASP H H 30 8.313 8.177 0.136 1
1 284 . 17 1 1 A 30 30 ASP HA H 30 4.422 4.376 0.046 1
1 287 . 17 1 1 A 30 30 ASP C C 30 179.036 178.526 0.510 1
1 288 . 17 1 1 A 30 30 ASP CA C 30 57.388 57.776 -0.388 1
1 289 . 17 1 1 A 30 30 ASP CB C 30 40.547 41.654 -1.107 1
1 290 . 17 1 1 A 30 30 ASP N N 30 118.471 120.340 -1.869 1
1 291 . 17 1 1 A 31 31 SER H H 31 7.406 7.868 -0.462 1
1 292 . 17 1 1 A 31 31 SER HA H 31 4.290 4.212 0.078 1
1 295 . 17 1 1 A 31 31 SER C C 31 177.290 176.090 1.200 1
1 296 . 17 1 1 A 31 31 SER CA C 31 61.575 62.482 -0.907 1
1 297 . 17 1 1 A 31 31 SER CB C 31 63.167 63.240 -0.073 1
1 298 . 17 1 1 A 31 31 SER N N 31 113.187 116.229 -3.042 1
1 299 . 17 1 1 A 32 32 PHE H H 32 9.117 8.308 0.809 1
1 300 . 17 1 1 A 32 32 PHE HA H 32 4.369 4.598 -0.229 1
1 308 . 17 1 1 A 32 32 PHE C C 32 176.545 177.274 -0.729 1
1 309 . 17 1 1 A 32 32 PHE CA C 32 61.569 61.557 0.012 1
1 310 . 17 1 1 A 32 32 PHE CB C 32 39.362 39.058 0.304 1
1 316 . 17 1 1 A 32 32 PHE N N 32 121.840 122.855 -1.015 1
1 317 . 17 1 1 A 33 33 LEU H H 33 8.235 9.045 -0.810 1
1 318 . 17 1 1 A 33 33 LEU HA H 33 3.965 3.924 0.041 1
1 328 . 17 1 1 A 33 33 LEU C C 33 179.575 179.445 0.130 1
1 329 . 17 1 1 A 33 33 LEU CA C 33 56.998 58.231 -1.233 1
1 330 . 17 1 1 A 33 33 LEU CB C 33 42.053 41.851 0.202 1
1 334 . 17 1 1 A 33 33 LEU N N 33 115.363 120.120 -4.757 1
1 335 . 17 1 1 A 34 34 LYS H H 34 7.509 8.032 -0.523 1
1 336 . 17 1 1 A 34 34 LYS HA H 34 4.174 4.221 -0.047 1
1 343 . 17 1 1 A 34 34 LYS C C 34 178.190 176.467 1.723 1
1 344 . 17 1 1 A 34 34 LYS CA C 34 58.819 57.909 0.910 1
1 345 . 17 1 1 A 34 34 LYS CB C 34 32.352 32.589 -0.237 1
1 349 . 17 1 1 A 34 34 LYS N N 34 119.688 117.389 2.299 1
1 350 . 17 1 1 A 35 35 SER H H 35 8.130 7.934 0.196 1
1 351 . 17 1 1 A 35 35 SER HA H 35 4.379 4.635 -0.256 1
1 354 . 17 1 1 A 35 35 SER C C 35 174.000 174.322 -0.322 1
1 355 . 17 1 1 A 35 35 SER CA C 35 58.202 57.239 0.963 1
1 356 . 17 1 1 A 35 35 SER CB C 35 64.375 64.694 -0.319 1
1 357 . 17 1 1 A 35 35 SER N N 35 112.275 115.369 -3.094 1
1 358 . 17 1 1 A 36 36 SER H H 36 8.404 8.763 -0.359 1
1 359 . 17 1 1 A 36 36 SER HA H 36 3.952 3.047 0.905 1
1 362 . 17 1 1 A 36 36 SER C C 36 172.467 174.888 -2.421 1
1 363 . 17 1 1 A 36 36 SER CA C 36 59.127 61.632 -2.505 1
1 364 . 17 1 1 A 36 36 SER CB C 36 63.788 62.825 0.963 1
1 365 . 17 1 1 A 36 36 SER N N 36 121.307 121.985 -0.678 1
1 366 . 17 1 1 A 37 37 PHE H H 37 7.735 8.070 -0.335 1
1 367 . 17 1 1 A 37 37 PHE HA H 37 4.859 5.133 -0.274 1
1 375 . 17 1 1 A 37 37 PHE C C 37 172.549 173.639 -1.090 1
1 376 . 17 1 1 A 37 37 PHE CA C 37 55.604 54.926 0.678 1
1 377 . 17 1 1 A 37 37 PHE CB C 37 39.842 39.506 0.336 1
1 383 . 17 1 1 A 37 37 PHE N N 37 118.373 120.111 -1.738 1
1 384 . 17 1 1 A 38 38 PRO HA H 38 4.391 4.690 -0.299 1
1 391 . 17 1 1 A 38 38 PRO C C 38 177.660 175.622 2.038 1
1 392 . 17 1 1 A 38 38 PRO CA C 38 62.193 62.417 -0.224 1
1 393 . 17 1 1 A 38 38 PRO CB C 38 31.490 33.005 -1.515 1
1 396 . 17 1 1 A 39 39 THR H H 39 7.809 8.413 -0.604 1
1 397 . 17 1 1 A 39 39 THR HA H 39 4.322 4.780 -0.458 1
1 402 . 17 1 1 A 39 39 THR C C 39 174.966 175.345 -0.379 1
1 403 . 17 1 1 A 39 39 THR CA C 39 60.648 59.826 0.822 1
1 404 . 17 1 1 A 39 39 THR CB C 39 71.192 70.900 0.292 1
1 406 . 17 1 1 A 39 39 THR N N 39 111.373 116.244 -4.871 1
1 407 . 17 1 1 A 40 40 GLN H H 40 8.880 9.057 -0.177 1
1 408 . 17 1 1 A 40 40 GLN HA H 40 3.907 3.959 -0.052 1
1 414 . 17 1 1 A 40 40 GLN C C 40 177.855 177.833 0.022 1
1 415 . 17 1 1 A 40 40 GLN CA C 40 59.243 59.679 -0.436 1
1 416 . 17 1 1 A 40 40 GLN CB C 40 28.107 28.568 -0.461 1
1 418 . 17 1 1 A 40 40 GLN N N 40 120.143 126.408 -6.265 1
1 420 . 17 1 1 A 41 41 ALA H H 41 8.286 7.979 0.307 1
1 421 . 17 1 1 A 41 41 ALA HA H 41 4.212 4.105 0.107 1
1 425 . 17 1 1 A 41 41 ALA C C 41 180.741 179.101 1.640 1
1 426 . 17 1 1 A 41 41 ALA CA C 41 55.009 55.102 -0.093 1
1 427 . 17 1 1 A 41 41 ALA CB C 41 18.111 18.214 -0.103 1
1 428 . 17 1 1 A 41 41 ALA N N 41 119.773 122.227 -2.454 1
1 429 . 17 1 1 A 42 42 GLU H H 42 7.772 8.342 -0.570 1
1 430 . 17 1 1 A 42 42 GLU HA H 42 4.673 4.013 0.660 1
1 435 . 17 1 1 A 42 42 GLU C C 42 178.478 178.691 -0.213 1
1 436 . 17 1 1 A 42 42 GLU CA C 42 57.730 59.775 -2.045 1
1 437 . 17 1 1 A 42 42 GLU CB C 42 28.610 29.555 -0.945 1
1 439 . 17 1 1 A 42 42 GLU N N 42 122.141 118.554 3.587 1
1 440 . 17 1 1 A 43 43 LEU H H 43 8.472 8.190 0.282 1
1 441 . 17 1 1 A 43 43 LEU HA H 43 3.924 3.842 0.082 1
1 451 . 17 1 1 A 43 43 LEU C C 43 179.842 178.551 1.291 1
1 452 . 17 1 1 A 43 43 LEU CA C 43 58.828 57.817 1.011 1
1 453 . 17 1 1 A 43 43 LEU CB C 43 41.540 41.568 -0.028 1
1 457 . 17 1 1 A 43 43 LEU N N 43 121.542 120.499 1.043 1
1 458 . 17 1 1 A 44 44 ASP H H 44 8.384 8.278 0.106 1
1 459 . 17 1 1 A 44 44 ASP HA H 44 4.447 4.227 0.220 1
1 462 . 17 1 1 A 44 44 ASP C C 44 178.428 178.897 -0.469 1
1 463 . 17 1 1 A 44 44 ASP CA C 44 57.812 57.510 0.302 1
1 464 . 17 1 1 A 44 44 ASP CB C 44 40.226 40.867 -0.641 1
1 465 . 17 1 1 A 44 44 ASP N N 44 119.756 118.445 1.311 1
1 466 . 17 1 1 A 45 45 ARG H H 45 7.979 7.849 0.130 1
1 467 . 17 1 1 A 45 45 ARG HA H 45 4.058 4.141 -0.083 1
1 475 . 17 1 1 A 45 45 ARG C C 45 179.249 178.734 0.515 1
1 476 . 17 1 1 A 45 45 ARG CA C 45 59.629 58.347 1.282 1
1 477 . 17 1 1 A 45 45 ARG CB C 45 30.553 29.731 0.822 1
1 480 . 17 1 1 A 45 45 ARG N N 45 123.029 119.979 3.050 1
1 482 . 17 1 1 A 46 46 LEU H H 46 8.943 8.216 0.727 1
1 483 . 17 1 1 A 46 46 LEU HA H 46 3.922 3.870 0.052 1
1 493 . 17 1 1 A 46 46 LEU C C 46 180.973 178.953 2.020 1
1 494 . 17 1 1 A 46 46 LEU CA C 46 57.885 57.621 0.264 1
1 495 . 17 1 1 A 46 46 LEU CB C 46 42.943 41.491 1.452 1
1 499 . 17 1 1 A 46 46 LEU N N 46 118.282 119.799 -1.517 1
1 500 . 17 1 1 A 47 47 ARG H H 47 8.421 8.420 0.001 1
1 501 . 17 1 1 A 47 47 ARG HA H 47 4.050 3.933 0.117 1
1 508 . 17 1 1 A 47 47 ARG C C 47 178.760 178.441 0.319 1
1 509 . 17 1 1 A 47 47 ARG CA C 47 60.366 59.234 1.132 1
1 510 . 17 1 1 A 47 47 ARG CB C 47 29.957 30.001 -0.044 1
1 513 . 17 1 1 A 47 47 ARG N N 47 125.416 117.475 7.941 1
1 514 . 17 1 1 A 48 48 VAL H H 48 7.626 8.077 -0.451 1
1 515 . 17 1 1 A 48 48 VAL HA H 48 3.700 3.723 -0.023 1
1 523 . 17 1 1 A 48 48 VAL C C 48 178.628 177.643 0.985 1
1 524 . 17 1 1 A 48 48 VAL CA C 48 66.325 64.954 1.371 1
1 525 . 17 1 1 A 48 48 VAL CB C 48 31.902 31.273 0.629 1
1 528 . 17 1 1 A 48 48 VAL N N 48 119.769 119.587 0.182 1
1 529 . 17 1 1 A 49 49 GLU H H 49 8.419 8.695 -0.276 1
1 530 . 17 1 1 A 49 49 GLU HA H 49 4.202 4.003 0.199 1
1 534 . 17 1 1 A 49 49 GLU C C 49 178.866 178.736 0.130 1
1 535 . 17 1 1 A 49 49 GLU CA C 49 59.062 59.342 -0.280 1
1 536 . 17 1 1 A 49 49 GLU CB C 49 30.950 29.470 1.480 1
1 538 . 17 1 1 A 49 49 GLU N N 49 116.074 121.220 -5.146 1
1 539 . 17 1 1 A 50 50 THR H H 50 8.436 8.251 0.185 1
1 540 . 17 1 1 A 50 50 THR HA H 50 4.335 4.265 0.070 1
1 545 . 17 1 1 A 50 50 THR C C 50 175.412 174.276 1.136 1
1 546 . 17 1 1 A 50 50 THR CA C 50 63.447 62.414 1.033 1
1 547 . 17 1 1 A 50 50 THR CB C 50 71.702 69.350 2.352 1
1 549 . 17 1 1 A 50 50 THR N N 50 105.198 110.452 -5.254 1
1 550 . 17 1 1 A 51 51 LYS H H 51 7.745 7.811 -0.066 1
1 551 . 17 1 1 A 51 51 LYS HA H 51 4.032 3.766 0.266 1
1 559 . 17 1 1 A 51 51 LYS C C 51 175.949 174.583 1.366 1
1 560 . 17 1 1 A 51 51 LYS CA C 51 58.428 57.308 1.120 1
1 561 . 17 1 1 A 51 51 LYS CB C 51 29.225 29.175 0.050 1
1 565 . 17 1 1 A 51 51 LYS N N 51 114.904 116.660 -1.756 1
1 566 . 17 1 1 A 52 52 LEU H H 52 7.679 7.852 -0.173 1
1 567 . 17 1 1 A 52 52 LEU HA H 52 4.519 5.091 -0.572 1
1 577 . 17 1 1 A 52 52 LEU C C 52 176.301 175.355 0.946 1
1 578 . 17 1 1 A 52 52 LEU CA C 52 53.820 53.135 0.685 1
1 579 . 17 1 1 A 52 52 LEU CB C 52 43.987 45.291 -1.304 1
1 583 . 17 1 1 A 52 52 LEU N N 52 120.156 118.689 1.467 1
1 584 . 17 1 1 A 53 53 SER H H 53 8.599 8.734 -0.135 1
1 585 . 17 1 1 A 53 53 SER HA H 53 4.454 4.576 -0.122 1
1 588 . 17 1 1 A 53 53 SER C C 53 175.265 175.885 -0.620 1
1 589 . 17 1 1 A 53 53 SER CA C 53 57.586 58.100 -0.514 1
1 590 . 17 1 1 A 53 53 SER CB C 53 65.402 64.287 1.115 1
1 591 . 17 1 1 A 53 53 SER N N 53 114.483 117.636 -3.153 1
1 592 . 17 1 1 A 54 54 ARG H H 54 9.030 8.913 0.117 1
1 593 . 17 1 1 A 54 54 ARG HA H 54 3.925 3.901 0.024 1
1 599 . 17 1 1 A 54 54 ARG C C 54 178.621 178.153 0.468 1
1 600 . 17 1 1 A 54 54 ARG CA C 54 59.660 60.035 -0.375 1
1 601 . 17 1 1 A 54 54 ARG CB C 54 29.594 30.102 -0.508 1
1 604 . 17 1 1 A 54 54 ARG N N 54 121.039 125.928 -4.889 1
1 605 . 17 1 1 A 55 55 ARG H H 55 8.472 8.104 0.368 1
1 606 . 17 1 1 A 55 55 ARG HA H 55 4.253 4.033 0.220 1
1 611 . 17 1 1 A 55 55 ARG C C 55 179.367 179.125 0.242 1
1 612 . 17 1 1 A 55 55 ARG CA C 55 59.387 59.524 -0.137 1
1 613 . 17 1 1 A 55 55 ARG CB C 55 30.068 30.177 -0.109 1
1 616 . 17 1 1 A 55 55 ARG N N 55 117.655 118.044 -0.389 1
1 617 . 17 1 1 A 56 56 GLU H H 56 7.849 8.094 -0.245 1
1 618 . 17 1 1 A 56 56 GLU HA H 56 3.909 4.108 -0.199 1
1 622 . 17 1 1 A 56 56 GLU C C 56 179.885 179.190 0.695 1
1 623 . 17 1 1 A 56 56 GLU CA C 56 59.421 59.279 0.142 1
1 624 . 17 1 1 A 56 56 GLU CB C 56 30.907 29.178 1.729 1
1 626 . 17 1 1 A 56 56 GLU N N 56 119.916 119.578 0.338 1
1 627 . 17 1 1 A 57 57 ILE H H 57 8.254 7.956 0.298 1
1 628 . 17 1 1 A 57 57 ILE HA H 57 3.732 3.730 0.002 1
1 638 . 17 1 1 A 57 57 ILE C C 57 177.586 177.836 -0.250 1
1 639 . 17 1 1 A 57 57 ILE CA C 57 66.553 65.748 0.805 1
1 640 . 17 1 1 A 57 57 ILE CB C 57 38.596 37.841 0.755 1
1 644 . 17 1 1 A 57 57 ILE N N 57 122.354 121.130 1.224 1
1 645 . 17 1 1 A 58 58 ASP H H 58 8.899 8.205 0.694 1
1 646 . 17 1 1 A 58 58 ASP HA H 58 4.621 4.289 0.332 1
1 649 . 17 1 1 A 58 58 ASP C C 58 180.161 178.119 2.042 1
1 650 . 17 1 1 A 58 58 ASP CA C 58 58.114 57.572 0.542 1
1 651 . 17 1 1 A 58 58 ASP CB C 58 40.817 40.939 -0.122 1
1 652 . 17 1 1 A 58 58 ASP N N 58 121.029 120.980 0.049 1
1 653 . 17 1 1 A 59 59 SER H H 59 8.321 7.871 0.450 1
1 654 . 17 1 1 A 59 59 SER HA H 59 4.371 4.233 0.138 1
1 656 . 17 1 1 A 59 59 SER C C 59 176.017 176.757 -0.740 1
1 657 . 17 1 1 A 59 59 SER CA C 59 61.870 61.292 0.578 1
1 658 . 17 1 1 A 59 59 SER CB C 59 63.076 62.963 0.113 1
1 659 . 17 1 1 A 59 59 SER N N 59 114.708 113.487 1.221 1
1 660 . 17 1 1 A 60 60 TRP H H 60 8.209 8.196 0.013 1
1 661 . 17 1 1 A 60 60 TRP HA H 60 4.019 4.439 -0.420 1
1 670 . 17 1 1 A 60 60 TRP C C 60 179.214 178.278 0.936 1
1 671 . 17 1 1 A 60 60 TRP CA C 60 62.981 61.157 1.824 1
1 672 . 17 1 1 A 60 60 TRP CB C 60 28.693 29.992 -1.299 1
1 678 . 17 1 1 A 60 60 TRP N N 60 123.289 123.987 -0.698 1
1 680 . 17 1 1 A 61 61 PHE H H 61 8.941 8.521 0.420 1
1 681 . 17 1 1 A 61 61 PHE HA H 61 3.798 3.913 -0.115 1
1 689 . 17 1 1 A 61 61 PHE C C 61 178.097 177.871 0.226 1
1 690 . 17 1 1 A 61 61 PHE CA C 61 63.866 61.801 2.065 1
1 691 . 17 1 1 A 61 61 PHE CB C 61 39.642 38.030 1.612 1
1 697 . 17 1 1 A 61 61 PHE N N 61 118.838 118.027 0.811 1
1 698 . 17 1 1 A 62 62 SER H H 62 8.179 8.710 -0.531 1
1 699 . 17 1 1 A 62 62 SER HA H 62 4.134 4.071 0.063 1
1 702 . 17 1 1 A 62 62 SER C C 62 177.996 176.965 1.031 1
1 703 . 17 1 1 A 62 62 SER CA C 62 62.064 61.652 0.412 1
1 704 . 17 1 1 A 62 62 SER CB C 62 62.890 63.029 -0.139 1
1 705 . 17 1 1 A 62 62 SER N N 62 113.145 114.571 -1.426 1
1 706 . 17 1 1 A 63 63 GLU H H 63 8.027 7.513 0.514 1
1 707 . 17 1 1 A 63 63 GLU HA H 63 3.910 4.078 -0.168 1
1 711 . 17 1 1 A 63 63 GLU C C 63 178.729 178.814 -0.085 1
1 712 . 17 1 1 A 63 63 GLU CA C 63 58.637 58.888 -0.251 1
1 713 . 17 1 1 A 63 63 GLU CB C 63 29.188 29.502 -0.314 1
1 715 . 17 1 1 A 63 63 GLU N N 63 120.533 121.105 -0.572 1
1 716 . 17 1 1 A 64 64 ARG H H 64 8.166 7.868 0.298 1
1 717 . 17 1 1 A 64 64 ARG HA H 64 3.498 3.428 0.070 1
1 725 . 17 1 1 A 64 64 ARG C C 64 179.466 178.415 1.051 1
1 726 . 17 1 1 A 64 64 ARG CA C 64 56.502 58.676 -2.174 1
1 727 . 17 1 1 A 64 64 ARG CB C 64 28.148 28.813 -0.665 1
1 730 . 17 1 1 A 64 64 ARG N N 64 122.505 120.352 2.153 1
1 732 . 17 1 1 A 65 65 ARG H H 65 8.002 7.842 0.160 1
1 733 . 17 1 1 A 65 65 ARG HA H 65 4.086 4.372 -0.286 1
1 740 . 17 1 1 A 65 65 ARG C C 65 177.832 178.841 -1.009 1
1 741 . 17 1 1 A 65 65 ARG CA C 65 60.054 59.271 0.783 1
1 742 . 17 1 1 A 65 65 ARG CB C 65 31.425 30.162 1.263 1
1 745 . 17 1 1 A 65 65 ARG N N 65 117.887 118.669 -0.782 1
1 746 . 17 1 1 A 66 66 LYS H H 66 7.356 7.685 -0.329 1
1 747 . 17 1 1 A 66 66 LYS HA H 66 4.141 4.104 0.037 1
1 753 . 17 1 1 A 66 66 LYS C C 66 178.353 178.964 -0.611 1
1 754 . 17 1 1 A 66 66 LYS CA C 66 58.444 59.047 -0.603 1
1 755 . 17 1 1 A 66 66 LYS CB C 66 32.288 32.501 -0.213 1
1 759 . 17 1 1 A 66 66 LYS N N 66 118.479 119.601 -1.122 1
1 760 . 17 1 1 A 67 67 LEU H H 67 7.604 7.922 -0.318 1
1 761 . 17 1 1 A 67 67 LEU HA H 67 4.143 3.873 0.270 1
1 771 . 17 1 1 A 67 67 LEU C C 67 178.510 178.826 -0.316 1
1 772 . 17 1 1 A 67 67 LEU CA C 67 56.712 57.704 -0.992 1
1 773 . 17 1 1 A 67 67 LEU CB C 67 41.857 41.683 0.174 1
1 777 . 17 1 1 A 67 67 LEU N N 67 120.424 120.073 0.351 1
1 778 . 17 1 1 A 68 68 ARG H H 68 7.914 7.777 0.137 1
1 779 . 17 1 1 A 68 68 ARG HA H 68 4.262 3.880 0.382 1
1 786 . 17 1 1 A 68 68 ARG C C 68 177.396 178.170 -0.774 1
1 787 . 17 1 1 A 68 68 ARG CA C 68 57.589 59.854 -2.265 1
1 788 . 17 1 1 A 68 68 ARG CB C 68 30.211 29.970 0.241 1
1 791 . 17 1 1 A 68 68 ARG N N 68 120.638 118.861 1.777 1
1 792 . 17 1 1 A 69 69 ASP H H 69 8.337 8.058 0.279 1
1 793 . 17 1 1 A 69 69 ASP HA H 69 4.592 4.342 0.250 1
1 796 . 17 1 1 A 69 69 ASP C C 69 176.826 175.970 0.856 1
1 797 . 17 1 1 A 69 69 ASP CA C 69 55.527 57.492 -1.965 1
1 798 . 17 1 1 A 69 69 ASP CB C 69 40.833 40.638 0.195 1
1 799 . 17 1 1 A 69 69 ASP N N 69 119.845 120.005 -0.160 1
1 800 . 17 1 1 A 70 70 SER H H 70 8.002 8.290 -0.288 1
1 801 . 17 1 1 A 70 70 SER HA H 70 4.473 4.064 0.409 1
1 804 . 17 1 1 A 70 70 SER C C 70 174.524 173.572 0.952 1
1 805 . 17 1 1 A 70 70 SER CA C 70 59.070 59.182 -0.112 1
1 806 . 17 1 1 A 70 70 SER CB C 70 63.887 61.699 2.188 1
1 807 . 17 1 1 A 70 70 SER N N 70 114.740 114.104 0.636 1
1 808 . 17 1 1 A 71 71 MET H H 71 8.117 7.561 0.556 1
1 809 . 17 1 1 A 71 71 MET HA H 71 4.559 4.440 0.119 1
1 817 . 17 1 1 A 71 71 MET C C 71 175.392 176.405 -1.013 1
1 818 . 17 1 1 A 71 71 MET CA C 71 55.711 55.831 -0.120 1
1 819 . 17 1 1 A 71 71 MET CB C 71 33.246 33.176 0.070 1
1 822 . 17 1 1 A 71 71 MET N N 71 121.694 120.128 1.566 1
1 823 . 17 1 1 A 72 72 GLU HA H 72 4.245 3.884 0.361 1
1 827 . 17 1 1 A 72 72 GLU C C 72 177.767 174.953 2.814 1
1 828 . 17 1 1 A 72 72 GLU CA C 72 57.871 57.517 0.354 1
1 829 . 17 1 1 A 72 72 GLU CB C 72 29.798 27.979 1.819 1
1 831 . 17 1 1 A 73 73 GLN H H 73 8.210 7.586 0.624 1
1 832 . 17 1 1 A 73 73 GLN HA H 73 4.177 4.804 -0.627 1
1 836 . 17 1 1 A 73 73 GLN C C 73 176.422 174.961 1.461 1
1 837 . 17 1 1 A 73 73 GLN CA C 73 56.899 54.178 2.721 1
1 838 . 17 1 1 A 73 73 GLN CB C 73 28.852 32.074 -3.222 1
1 840 . 17 1 1 A 73 73 GLN N N 73 120.076 116.812 3.264 1
1 841 . 17 1 1 A 74 74 ALA H H 74 8.099 8.451 -0.352 1
1 842 . 17 1 1 A 74 74 ALA HA H 74 4.239 4.420 -0.181 1
1 846 . 17 1 1 A 74 74 ALA C C 74 178.960 177.290 1.670 1
1 847 . 17 1 1 A 74 74 ALA CA C 74 53.837 52.438 1.399 1
1 848 . 17 1 1 A 74 74 ALA CB C 74 18.794 18.516 0.278 1
1 849 . 17 1 1 A 74 74 ALA N N 74 123.168 127.048 -3.880 1
1 850 . 17 1 1 A 75 75 VAL H H 75 7.886 8.548 -0.662 1
1 851 . 17 1 1 A 75 75 VAL HA H 75 3.985 4.720 -0.735 1
1 859 . 17 1 1 A 75 75 VAL C C 75 177.376 173.047 4.329 1
1 860 . 17 1 1 A 75 75 VAL CA C 75 63.895 59.772 4.123 1
1 861 . 17 1 1 A 75 75 VAL CB C 75 32.450 35.903 -3.453 1
1 864 . 17 1 1 A 75 75 VAL N N 75 119.018 121.388 -2.370 1
1 865 . 17 1 1 A 76 76 LEU H H 76 8.074 8.545 -0.471 1
1 866 . 17 1 1 A 76 76 LEU HA H 76 4.291 4.886 -0.595 1
1 876 . 17 1 1 A 76 76 LEU C C 76 178.363 175.517 2.846 1
1 877 . 17 1 1 A 76 76 LEU CA C 76 56.247 54.052 2.195 1
1 878 . 17 1 1 A 76 76 LEU CB C 76 42.342 43.602 -1.260 1
1 882 . 17 1 1 A 76 76 LEU N N 76 124.324 128.991 -4.667 1
1 883 . 17 1 1 A 77 77 ASP H H 77 8.443 8.974 -0.531 1
1 884 . 17 1 1 A 77 77 ASP HA H 77 4.593 5.344 -0.751 1
1 887 . 17 1 1 A 77 77 ASP C C 77 177.224 174.734 2.490 1
1 888 . 17 1 1 A 77 77 ASP CA C 77 55.364 52.293 3.071 1
1 889 . 17 1 1 A 77 77 ASP CB C 77 40.970 44.429 -3.459 1
1 890 . 17 1 1 A 77 77 ASP N N 77 120.595 126.220 -5.625 1
1 891 . 17 1 1 A 78 78 SER H H 78 8.121 8.576 -0.455 1
1 892 . 17 1 1 A 78 78 SER HA H 78 4.421 4.611 -0.190 1
1 894 . 17 1 1 A 78 78 SER C C 78 175.244 174.078 1.166 1
1 895 . 17 1 1 A 78 78 SER CA C 78 58.809 58.259 0.550 1
1 896 . 17 1 1 A 78 78 SER CB C 78 63.674 64.297 -0.623 1
1 897 . 17 1 1 A 78 78 SER N N 78 115.700 119.106 -3.406 1
1 898 . 17 1 1 A 79 79 MET H H 79 8.202 8.686 -0.484 1
1 899 . 17 1 1 A 79 79 MET HA H 79 4.525 4.983 -0.458 1
1 903 . 17 1 1 A 79 79 MET C C 79 177.199 176.282 0.917 1
1 904 . 17 1 1 A 79 79 MET CA C 79 56.010 53.990 2.020 1
1 905 . 17 1 1 A 79 79 MET CB C 79 32.610 34.264 -1.654 1
1 907 . 17 1 1 A 79 79 MET N N 79 121.204 122.457 -1.253 1
1 908 . 17 1 1 A 80 80 GLY H H 80 8.268 8.336 -0.068 1
1 909 . 17 1 1 A 80 80 GLY C C 80 174.529 172.650 1.879 1
1 910 . 17 1 1 A 80 80 GLY CA C 80 45.637 44.796 0.841 1
1 911 . 17 1 1 A 80 80 GLY N N 80 109.108 113.171 -4.063 1
1 912 . 17 1 1 A 81 81 SER HA H 81 4.478 4.922 -0.444 1
1 915 . 17 1 1 A 81 81 SER C C 81 175.336 173.439 1.897 1
1 916 . 17 1 1 A 81 81 SER CA C 81 58.701 56.943 1.758 1
1 917 . 17 1 1 A 81 81 SER CB C 81 63.977 65.383 -1.406 1
1 918 . 17 1 1 A 82 82 GLY H H 82 8.526 8.731 -0.205 1
1 919 . 17 1 1 A 82 82 GLY HA2 H 82 4.018 4.014 0.004 1
1 920 . 17 1 1 A 82 82 GLY HA3 H 82 4.018 4.015 0.003 1
1 921 . 17 1 1 A 82 82 GLY C C 82 174.290 172.288 2.002 1
1 922 . 17 1 1 A 82 82 GLY CA C 82 45.485 45.624 -0.139 1
1 923 . 17 1 1 A 82 82 GLY N N 82 110.928 114.379 -3.451 1
1 924 . 17 1 1 A 83 83 LYS H H 83 8.159 8.458 -0.299 1
1 925 . 17 1 1 A 83 83 LYS C C 83 176.692 174.965 1.727 1
1 926 . 17 1 1 A 83 83 LYS CA C 83 56.216 55.035 1.181 1
1 927 . 17 1 1 A 83 83 LYS CB C 83 33.201 34.821 -1.620 1
1 928 . 17 1 1 A 83 83 LYS N N 83 120.759 124.192 -3.433 1
1 929 . 17 1 1 A 88 88 SER HA H 88 4.509 5.098 -0.589 1
1 932 . 17 1 1 A 88 88 SER C C 88 173.946 174.175 -0.229 1
1 933 . 17 1 1 A 88 88 SER CA C 88 58.432 56.977 1.455 1
1 934 . 17 1 1 A 88 88 SER CB C 88 64.208 65.703 -1.495 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.940 4.267 -0.327 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.940 4.284 -0.344 1
1 3 . 18 1 1 A 7 7 GLY C C 7 173.532 172.249 1.283 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.255 44.085 1.170 1
1 5 . 18 1 1 A 8 8 ALA H H 8 8.010 8.733 -0.723 1
1 6 . 18 1 1 A 8 8 ALA HA H 8 4.259 5.035 -0.776 1
1 10 . 18 1 1 A 8 8 ALA C C 8 176.987 176.200 0.787 1
1 11 . 18 1 1 A 8 8 ALA CA C 8 52.334 50.910 1.424 1
1 12 . 18 1 1 A 8 8 ALA CB C 8 19.389 21.663 -2.274 1
1 13 . 18 1 1 A 8 8 ALA N N 8 123.317 122.539 0.778 1
1 14 . 18 1 1 A 9 9 TYR H H 9 8.110 8.740 -0.630 1
1 15 . 18 1 1 A 9 9 TYR HA H 9 4.832 4.713 0.119 1
1 22 . 18 1 1 A 9 9 TYR C C 9 174.112 176.231 -2.119 1
1 23 . 18 1 1 A 9 9 TYR CA C 9 55.642 57.037 -1.395 1
1 24 . 18 1 1 A 9 9 TYR CB C 9 38.292 38.891 -0.599 1
1 29 . 18 1 1 A 9 9 TYR N N 9 120.065 124.364 -4.299 1
1 30 . 18 1 1 A 10 10 PRO HA H 10 4.377 4.453 -0.076 1
1 36 . 18 1 1 A 10 10 PRO C C 10 176.388 175.729 0.659 1
1 37 . 18 1 1 A 10 10 PRO CA C 10 63.332 63.872 -0.540 1
1 38 . 18 1 1 A 10 10 PRO CB C 10 31.985 31.526 0.459 1
1 41 . 18 1 1 A 11 11 ASP H H 11 8.249 8.036 0.213 1
1 42 . 18 1 1 A 11 11 ASP HA H 11 4.537 5.058 -0.521 1
1 45 . 18 1 1 A 11 11 ASP C C 11 175.893 175.431 0.462 1
1 46 . 18 1 1 A 11 11 ASP CA C 11 54.410 53.523 0.887 1
1 47 . 18 1 1 A 11 11 ASP CB C 11 41.149 42.411 -1.262 1
1 48 . 18 1 1 A 11 11 ASP N N 11 119.884 119.703 0.181 1
1 49 . 18 1 1 A 12 12 PHE H H 12 8.028 8.681 -0.653 1
1 50 . 18 1 1 A 12 12 PHE HA H 12 4.616 5.187 -0.571 1
1 55 . 18 1 1 A 12 12 PHE C C 12 175.001 173.509 1.492 1
1 56 . 18 1 1 A 12 12 PHE CA C 12 57.417 56.409 1.008 1
1 57 . 18 1 1 A 12 12 PHE CB C 12 39.577 41.498 -1.921 1
1 60 . 18 1 1 A 12 12 PHE N N 12 119.972 120.753 -0.781 1
1 61 . 18 1 1 A 13 13 ALA H H 13 8.118 8.724 -0.606 1
1 62 . 18 1 1 A 13 13 ALA HA H 13 4.570 4.477 0.093 1
1 66 . 18 1 1 A 13 13 ALA C C 13 175.002 175.797 -0.795 1
1 67 . 18 1 1 A 13 13 ALA CA C 13 50.500 51.157 -0.657 1
1 68 . 18 1 1 A 13 13 ALA CB C 13 18.532 17.787 0.745 1
1 69 . 18 1 1 A 13 13 ALA N N 13 126.968 124.020 2.948 1
1 70 . 18 1 1 A 14 14 PRO HA H 14 4.349 4.705 -0.356 1
1 76 . 18 1 1 A 14 14 PRO C C 14 177.054 175.683 1.371 1
1 77 . 18 1 1 A 14 14 PRO CA C 14 63.380 62.723 0.657 1
1 78 . 18 1 1 A 14 14 PRO CB C 14 31.960 32.750 -0.790 1
1 81 . 18 1 1 A 15 15 GLN H H 15 8.411 8.428 -0.017 1
1 82 . 18 1 1 A 15 15 GLN HA H 15 4.221 4.739 -0.518 1
1 88 . 18 1 1 A 15 15 GLN C C 15 175.815 174.606 1.209 1
1 89 . 18 1 1 A 15 15 GLN CA C 15 55.929 54.301 1.628 1
1 90 . 18 1 1 A 15 15 GLN CB C 15 29.270 31.178 -1.908 1
1 92 . 18 1 1 A 15 15 GLN N N 15 120.172 119.766 0.406 1
1 94 . 18 1 1 A 16 16 LYS H H 16 8.171 9.006 -0.835 1
1 95 . 18 1 1 A 16 16 LYS HA H 16 4.234 4.792 -0.558 1
1 102 . 18 1 1 A 16 16 LYS C C 16 176.196 174.982 1.214 1
1 103 . 18 1 1 A 16 16 LYS CA C 16 56.236 54.666 1.570 1
1 104 . 18 1 1 A 16 16 LYS CB C 16 33.171 34.836 -1.665 1
1 108 . 18 1 1 A 16 16 LYS N N 16 122.238 121.969 0.269 1
1 109 . 18 1 1 A 17 17 PHE H H 17 8.257 8.679 -0.422 1
1 110 . 18 1 1 A 17 17 PHE HA H 17 4.715 4.898 -0.183 1
1 117 . 18 1 1 A 17 17 PHE C C 17 175.737 175.629 0.108 1
1 118 . 18 1 1 A 17 17 PHE CA C 17 57.341 57.276 0.065 1
1 119 . 18 1 1 A 17 17 PHE CB C 17 39.776 41.209 -1.433 1
1 124 . 18 1 1 A 17 17 PHE N N 17 121.572 120.228 1.344 1
1 125 . 18 1 1 A 18 18 LYS H H 18 8.411 8.561 -0.150 1
1 126 . 18 1 1 A 18 18 LYS HA H 18 4.285 4.386 -0.101 1
1 132 . 18 1 1 A 18 18 LYS C C 18 176.317 176.184 0.133 1
1 133 . 18 1 1 A 18 18 LYS CA C 18 56.146 56.743 -0.597 1
1 134 . 18 1 1 A 18 18 LYS CB C 18 33.269 33.590 -0.321 1
1 138 . 18 1 1 A 18 18 LYS N N 18 123.072 122.973 0.099 1
1 139 . 18 1 1 A 19 19 GLU H H 19 8.494 8.594 -0.100 1
1 140 . 18 1 1 A 19 19 GLU HA H 19 4.243 4.949 -0.706 1
1 144 . 18 1 1 A 19 19 GLU C C 19 176.811 174.797 2.014 1
1 145 . 18 1 1 A 19 19 GLU CA C 19 56.916 54.702 2.214 1
1 146 . 18 1 1 A 19 19 GLU CB C 19 30.158 31.921 -1.763 1
1 148 . 18 1 1 A 19 19 GLU N N 19 123.032 122.498 0.534 1
1 149 . 18 1 1 A 20 20 LYS H H 20 8.530 8.935 -0.405 1
1 150 . 18 1 1 A 20 20 LYS HA H 20 4.560 4.764 -0.204 1
1 159 . 18 1 1 A 20 20 LYS C C 20 177.491 175.741 1.750 1
1 160 . 18 1 1 A 20 20 LYS CA C 20 56.105 55.733 0.372 1
1 161 . 18 1 1 A 20 20 LYS CB C 20 34.248 33.897 0.351 1
1 165 . 18 1 1 A 20 20 LYS N N 20 123.545 127.916 -4.371 1
1 166 . 18 1 1 A 21 21 THR H H 21 8.868 8.515 0.353 1
1 167 . 18 1 1 A 21 21 THR HA H 21 4.448 4.724 -0.276 1
1 172 . 18 1 1 A 21 21 THR C C 21 175.491 175.503 -0.012 1
1 173 . 18 1 1 A 21 21 THR CA C 21 60.686 60.019 0.667 1
1 174 . 18 1 1 A 21 21 THR CB C 21 70.760 70.621 0.139 1
1 176 . 18 1 1 A 21 21 THR N N 21 113.437 116.439 -3.002 1
1 177 . 18 1 1 A 22 22 GLN H H 22 8.993 8.994 -0.001 1
1 178 . 18 1 1 A 22 22 GLN HA H 22 4.055 3.953 0.102 1
1 183 . 18 1 1 A 22 22 GLN C C 22 178.882 178.839 0.043 1
1 184 . 18 1 1 A 22 22 GLN CA C 22 58.899 58.834 0.065 1
1 185 . 18 1 1 A 22 22 GLN CB C 22 28.366 28.419 -0.053 1
1 187 . 18 1 1 A 22 22 GLN N N 22 120.458 126.457 -5.999 1
1 188 . 18 1 1 A 23 23 GLY H H 23 8.580 8.418 0.162 1
1 189 . 18 1 1 A 23 23 GLY HA2 H 23 3.843 3.731 0.112 1
1 190 . 18 1 1 A 23 23 GLY HA3 H 23 3.843 3.731 0.112 1
1 191 . 18 1 1 A 23 23 GLY C C 23 176.518 175.819 0.699 1
1 192 . 18 1 1 A 23 23 GLY CA C 23 46.750 47.281 -0.531 1
1 193 . 18 1 1 A 23 23 GLY N N 23 107.047 109.558 -2.511 1
1 194 . 18 1 1 A 24 24 GLN H H 24 7.771 7.956 -0.185 1
1 195 . 18 1 1 A 24 24 GLN HA H 24 3.844 3.931 -0.087 1
1 202 . 18 1 1 A 24 24 GLN C C 24 177.564 178.486 -0.922 1
1 203 . 18 1 1 A 24 24 GLN CA C 24 59.397 58.693 0.704 1
1 204 . 18 1 1 A 24 24 GLN CB C 24 29.250 28.325 0.925 1
1 206 . 18 1 1 A 24 24 GLN N N 24 120.555 121.044 -0.489 1
1 208 . 18 1 1 A 25 25 VAL H H 25 8.029 7.976 0.053 1
1 209 . 18 1 1 A 25 25 VAL HA H 25 3.163 3.313 -0.150 1
1 217 . 18 1 1 A 25 25 VAL C C 25 176.630 177.645 -1.015 1
1 218 . 18 1 1 A 25 25 VAL CA C 25 66.856 67.056 -0.200 1
1 219 . 18 1 1 A 25 25 VAL CB C 25 31.543 31.373 0.170 1
1 222 . 18 1 1 A 25 25 VAL N N 25 117.187 120.556 -3.369 1
1 223 . 18 1 1 A 26 26 LYS H H 26 7.924 8.411 -0.487 1
1 224 . 18 1 1 A 26 26 LYS HA H 26 3.995 3.991 0.004 1
1 230 . 18 1 1 A 26 26 LYS C C 26 178.199 178.610 -0.411 1
1 231 . 18 1 1 A 26 26 LYS CA C 26 59.506 59.979 -0.473 1
1 232 . 18 1 1 A 26 26 LYS CB C 26 32.209 32.017 0.192 1
1 236 . 18 1 1 A 26 26 LYS N N 26 119.341 120.111 -0.770 1
1 237 . 18 1 1 A 27 27 ILE H H 27 7.033 7.695 -0.662 1
1 238 . 18 1 1 A 27 27 ILE HA H 27 3.706 3.660 0.046 1
1 248 . 18 1 1 A 27 27 ILE C C 27 179.280 178.687 0.593 1
1 249 . 18 1 1 A 27 27 ILE CA C 27 64.803 65.190 -0.387 1
1 250 . 18 1 1 A 27 27 ILE CB C 27 38.361 37.513 0.848 1
1 254 . 18 1 1 A 27 27 ILE N N 27 117.901 120.042 -2.141 1
1 255 . 18 1 1 A 28 28 LEU H H 28 7.400 7.665 -0.265 1
1 256 . 18 1 1 A 28 28 LEU HA H 28 3.563 3.865 -0.302 1
1 266 . 18 1 1 A 28 28 LEU C C 28 177.369 178.526 -1.157 1
1 267 . 18 1 1 A 28 28 LEU CA C 28 58.256 58.049 0.207 1
1 268 . 18 1 1 A 28 28 LEU CB C 28 37.957 40.991 -3.034 1
1 272 . 18 1 1 A 28 28 LEU N N 28 121.290 120.177 1.113 1
1 273 . 18 1 1 A 29 29 GLU H H 29 8.880 8.570 0.310 1
1 274 . 18 1 1 A 29 29 GLU HA H 29 4.327 4.162 0.165 1
1 278 . 18 1 1 A 29 29 GLU C C 29 179.216 178.850 0.366 1
1 279 . 18 1 1 A 29 29 GLU CA C 29 59.430 59.925 -0.495 1
1 280 . 18 1 1 A 29 29 GLU CB C 29 29.276 29.413 -0.137 1
1 282 . 18 1 1 A 29 29 GLU N N 29 120.487 117.110 3.377 1
1 283 . 18 1 1 A 30 30 ASP H H 30 8.313 8.167 0.146 1
1 284 . 18 1 1 A 30 30 ASP HA H 30 4.422 4.452 -0.030 1
1 287 . 18 1 1 A 30 30 ASP C C 30 179.036 178.435 0.601 1
1 288 . 18 1 1 A 30 30 ASP CA C 30 57.388 57.645 -0.257 1
1 289 . 18 1 1 A 30 30 ASP CB C 30 40.547 41.827 -1.280 1
1 290 . 18 1 1 A 30 30 ASP N N 30 118.471 119.944 -1.473 1
1 291 . 18 1 1 A 31 31 SER H H 31 7.406 8.344 -0.938 1
1 292 . 18 1 1 A 31 31 SER HA H 31 4.290 4.309 -0.019 1
1 295 . 18 1 1 A 31 31 SER C C 31 177.290 176.926 0.364 1
1 296 . 18 1 1 A 31 31 SER CA C 31 61.575 61.165 0.410 1
1 297 . 18 1 1 A 31 31 SER CB C 31 63.167 63.018 0.149 1
1 298 . 18 1 1 A 31 31 SER N N 31 113.187 114.225 -1.038 1
1 299 . 18 1 1 A 32 32 PHE H H 32 9.117 8.037 1.080 1
1 300 . 18 1 1 A 32 32 PHE HA H 32 4.369 4.288 0.081 1
1 308 . 18 1 1 A 32 32 PHE C C 32 176.545 177.408 -0.863 1
1 309 . 18 1 1 A 32 32 PHE CA C 32 61.569 61.414 0.155 1
1 310 . 18 1 1 A 32 32 PHE CB C 32 39.362 39.457 -0.095 1
1 316 . 18 1 1 A 32 32 PHE N N 32 121.840 122.753 -0.913 1
1 317 . 18 1 1 A 33 33 LEU H H 33 8.235 8.990 -0.755 1
1 318 . 18 1 1 A 33 33 LEU HA H 33 3.965 3.945 0.020 1
1 328 . 18 1 1 A 33 33 LEU C C 33 179.575 179.507 0.068 1
1 329 . 18 1 1 A 33 33 LEU CA C 33 56.998 58.096 -1.098 1
1 330 . 18 1 1 A 33 33 LEU CB C 33 42.053 41.909 0.144 1
1 334 . 18 1 1 A 33 33 LEU N N 33 115.363 120.042 -4.679 1
1 335 . 18 1 1 A 34 34 LYS H H 34 7.509 7.744 -0.235 1
1 336 . 18 1 1 A 34 34 LYS HA H 34 4.174 4.232 -0.058 1
1 343 . 18 1 1 A 34 34 LYS C C 34 178.190 176.695 1.495 1
1 344 . 18 1 1 A 34 34 LYS CA C 34 58.819 58.526 0.293 1
1 345 . 18 1 1 A 34 34 LYS CB C 34 32.352 32.736 -0.384 1
1 349 . 18 1 1 A 34 34 LYS N N 34 119.688 117.246 2.442 1
1 350 . 18 1 1 A 35 35 SER H H 35 8.130 7.556 0.574 1
1 351 . 18 1 1 A 35 35 SER HA H 35 4.379 4.665 -0.286 1
1 354 . 18 1 1 A 35 35 SER C C 35 174.000 174.417 -0.417 1
1 355 . 18 1 1 A 35 35 SER CA C 35 58.202 57.359 0.843 1
1 356 . 18 1 1 A 35 35 SER CB C 35 64.375 65.005 -0.630 1
1 357 . 18 1 1 A 35 35 SER N N 35 112.275 112.530 -0.255 1
1 358 . 18 1 1 A 36 36 SER H H 36 8.404 8.656 -0.252 1
1 359 . 18 1 1 A 36 36 SER HA H 36 3.952 3.250 0.702 1
1 362 . 18 1 1 A 36 36 SER C C 36 172.467 175.048 -2.581 1
1 363 . 18 1 1 A 36 36 SER CA C 36 59.127 62.406 -3.279 1
1 364 . 18 1 1 A 36 36 SER CB C 36 63.788 62.434 1.354 1
1 365 . 18 1 1 A 36 36 SER N N 36 121.307 121.263 0.044 1
1 366 . 18 1 1 A 37 37 PHE H H 37 7.735 8.194 -0.459 1
1 367 . 18 1 1 A 37 37 PHE HA H 37 4.859 5.049 -0.190 1
1 375 . 18 1 1 A 37 37 PHE C C 37 172.549 173.993 -1.444 1
1 376 . 18 1 1 A 37 37 PHE CA C 37 55.604 55.394 0.210 1
1 377 . 18 1 1 A 37 37 PHE CB C 37 39.842 38.954 0.888 1
1 383 . 18 1 1 A 37 37 PHE N N 37 118.373 117.558 0.815 1
1 384 . 18 1 1 A 38 38 PRO HA H 38 4.391 4.680 -0.289 1
1 391 . 18 1 1 A 38 38 PRO C C 38 177.660 175.406 2.254 1
1 392 . 18 1 1 A 38 38 PRO CA C 38 62.193 62.442 -0.249 1
1 393 . 18 1 1 A 38 38 PRO CB C 38 31.490 33.055 -1.565 1
1 396 . 18 1 1 A 39 39 THR H H 39 7.809 8.398 -0.589 1
1 397 . 18 1 1 A 39 39 THR HA H 39 4.322 5.019 -0.697 1
1 402 . 18 1 1 A 39 39 THR C C 39 174.966 175.000 -0.034 1
1 403 . 18 1 1 A 39 39 THR CA C 39 60.648 59.649 0.999 1
1 404 . 18 1 1 A 39 39 THR CB C 39 71.192 71.251 -0.059 1
1 406 . 18 1 1 A 39 39 THR N N 39 111.373 116.146 -4.773 1
1 407 . 18 1 1 A 40 40 GLN H H 40 8.880 9.101 -0.221 1
1 408 . 18 1 1 A 40 40 GLN HA H 40 3.907 3.955 -0.048 1
1 414 . 18 1 1 A 40 40 GLN C C 40 177.855 178.000 -0.145 1
1 415 . 18 1 1 A 40 40 GLN CA C 40 59.243 59.693 -0.450 1
1 416 . 18 1 1 A 40 40 GLN CB C 40 28.107 28.460 -0.353 1
1 418 . 18 1 1 A 40 40 GLN N N 40 120.143 126.586 -6.443 1
1 420 . 18 1 1 A 41 41 ALA H H 41 8.286 8.055 0.231 1
1 421 . 18 1 1 A 41 41 ALA HA H 41 4.212 4.005 0.207 1
1 425 . 18 1 1 A 41 41 ALA C C 41 180.741 179.323 1.418 1
1 426 . 18 1 1 A 41 41 ALA CA C 41 55.009 55.446 -0.437 1
1 427 . 18 1 1 A 41 41 ALA CB C 41 18.111 18.407 -0.296 1
1 428 . 18 1 1 A 41 41 ALA N N 41 119.773 122.253 -2.480 1
1 429 . 18 1 1 A 42 42 GLU H H 42 7.772 8.296 -0.524 1
1 430 . 18 1 1 A 42 42 GLU HA H 42 4.673 4.002 0.671 1
1 435 . 18 1 1 A 42 42 GLU C C 42 178.478 178.660 -0.182 1
1 436 . 18 1 1 A 42 42 GLU CA C 42 57.730 59.754 -2.024 1
1 437 . 18 1 1 A 42 42 GLU CB C 42 28.610 29.552 -0.942 1
1 439 . 18 1 1 A 42 42 GLU N N 42 122.141 118.534 3.607 1
1 440 . 18 1 1 A 43 43 LEU H H 43 8.472 8.104 0.368 1
1 441 . 18 1 1 A 43 43 LEU HA H 43 3.924 3.847 0.077 1
1 451 . 18 1 1 A 43 43 LEU C C 43 179.842 178.592 1.250 1
1 452 . 18 1 1 A 43 43 LEU CA C 43 58.828 57.807 1.021 1
1 453 . 18 1 1 A 43 43 LEU CB C 43 41.540 41.575 -0.035 1
1 457 . 18 1 1 A 43 43 LEU N N 43 121.542 120.653 0.889 1
1 458 . 18 1 1 A 44 44 ASP H H 44 8.384 7.932 0.452 1
1 459 . 18 1 1 A 44 44 ASP HA H 44 4.447 4.235 0.212 1
1 462 . 18 1 1 A 44 44 ASP C C 44 178.428 178.796 -0.368 1
1 463 . 18 1 1 A 44 44 ASP CA C 44 57.812 57.514 0.298 1
1 464 . 18 1 1 A 44 44 ASP CB C 44 40.226 40.868 -0.642 1
1 465 . 18 1 1 A 44 44 ASP N N 44 119.756 118.315 1.441 1
1 466 . 18 1 1 A 45 45 ARG H H 45 7.979 8.134 -0.155 1
1 467 . 18 1 1 A 45 45 ARG HA H 45 4.058 4.161 -0.103 1
1 475 . 18 1 1 A 45 45 ARG C C 45 179.249 178.799 0.450 1
1 476 . 18 1 1 A 45 45 ARG CA C 45 59.629 58.473 1.156 1
1 477 . 18 1 1 A 45 45 ARG CB C 45 30.553 29.951 0.602 1
1 480 . 18 1 1 A 45 45 ARG N N 45 123.029 120.166 2.863 1
1 482 . 18 1 1 A 46 46 LEU H H 46 8.943 8.425 0.518 1
1 483 . 18 1 1 A 46 46 LEU HA H 46 3.922 3.884 0.038 1
1 493 . 18 1 1 A 46 46 LEU C C 46 180.973 178.972 2.001 1
1 494 . 18 1 1 A 46 46 LEU CA C 46 57.885 57.526 0.359 1
1 495 . 18 1 1 A 46 46 LEU CB C 46 42.943 41.549 1.394 1
1 499 . 18 1 1 A 46 46 LEU N N 46 118.282 119.213 -0.931 1
1 500 . 18 1 1 A 47 47 ARG H H 47 8.421 8.639 -0.218 1
1 501 . 18 1 1 A 47 47 ARG HA H 47 4.050 3.976 0.074 1
1 508 . 18 1 1 A 47 47 ARG C C 47 178.760 178.504 0.256 1
1 509 . 18 1 1 A 47 47 ARG CA C 47 60.366 59.323 1.043 1
1 510 . 18 1 1 A 47 47 ARG CB C 47 29.957 29.998 -0.041 1
1 513 . 18 1 1 A 47 47 ARG N N 47 125.416 117.630 7.786 1
1 514 . 18 1 1 A 48 48 VAL H H 48 7.626 7.724 -0.098 1
1 515 . 18 1 1 A 48 48 VAL HA H 48 3.700 3.750 -0.050 1
1 523 . 18 1 1 A 48 48 VAL C C 48 178.628 177.652 0.976 1
1 524 . 18 1 1 A 48 48 VAL CA C 48 66.325 64.920 1.405 1
1 525 . 18 1 1 A 48 48 VAL CB C 48 31.902 31.191 0.711 1
1 528 . 18 1 1 A 48 48 VAL N N 48 119.769 119.606 0.163 1
1 529 . 18 1 1 A 49 49 GLU H H 49 8.419 8.690 -0.271 1
1 530 . 18 1 1 A 49 49 GLU HA H 49 4.202 3.997 0.205 1
1 534 . 18 1 1 A 49 49 GLU C C 49 178.866 178.924 -0.058 1
1 535 . 18 1 1 A 49 49 GLU CA C 49 59.062 59.372 -0.310 1
1 536 . 18 1 1 A 49 49 GLU CB C 49 30.950 29.455 1.495 1
1 538 . 18 1 1 A 49 49 GLU N N 49 116.074 121.987 -5.913 1
1 539 . 18 1 1 A 50 50 THR H H 50 8.436 8.262 0.174 1
1 540 . 18 1 1 A 50 50 THR HA H 50 4.335 4.284 0.051 1
1 545 . 18 1 1 A 50 50 THR C C 50 175.412 174.244 1.168 1
1 546 . 18 1 1 A 50 50 THR CA C 50 63.447 62.391 1.056 1
1 547 . 18 1 1 A 50 50 THR CB C 50 71.702 69.236 2.466 1
1 549 . 18 1 1 A 50 50 THR N N 50 105.198 110.367 -5.169 1
1 550 . 18 1 1 A 51 51 LYS H H 51 7.745 7.944 -0.199 1
1 551 . 18 1 1 A 51 51 LYS HA H 51 4.032 3.779 0.253 1
1 559 . 18 1 1 A 51 51 LYS C C 51 175.949 174.600 1.349 1
1 560 . 18 1 1 A 51 51 LYS CA C 51 58.428 57.308 1.120 1
1 561 . 18 1 1 A 51 51 LYS CB C 51 29.225 29.236 -0.011 1
1 565 . 18 1 1 A 51 51 LYS N N 51 114.904 116.691 -1.787 1
1 566 . 18 1 1 A 52 52 LEU H H 52 7.679 7.840 -0.161 1
1 567 . 18 1 1 A 52 52 LEU HA H 52 4.519 4.903 -0.384 1
1 577 . 18 1 1 A 52 52 LEU C C 52 176.301 175.878 0.423 1
1 578 . 18 1 1 A 52 52 LEU CA C 52 53.820 53.151 0.669 1
1 579 . 18 1 1 A 52 52 LEU CB C 52 43.987 45.530 -1.543 1
1 583 . 18 1 1 A 52 52 LEU N N 52 120.156 118.664 1.492 1
1 584 . 18 1 1 A 53 53 SER H H 53 8.599 8.757 -0.158 1
1 585 . 18 1 1 A 53 53 SER HA H 53 4.454 4.668 -0.214 1
1 588 . 18 1 1 A 53 53 SER C C 53 175.265 175.686 -0.421 1
1 589 . 18 1 1 A 53 53 SER CA C 53 57.586 57.113 0.473 1
1 590 . 18 1 1 A 53 53 SER CB C 53 65.402 65.057 0.345 1
1 591 . 18 1 1 A 53 53 SER N N 53 114.483 117.266 -2.783 1
1 592 . 18 1 1 A 54 54 ARG H H 54 9.030 8.864 0.166 1
1 593 . 18 1 1 A 54 54 ARG HA H 54 3.925 3.902 0.023 1
1 599 . 18 1 1 A 54 54 ARG C C 54 178.621 178.833 -0.212 1
1 600 . 18 1 1 A 54 54 ARG CA C 54 59.660 60.002 -0.342 1
1 601 . 18 1 1 A 54 54 ARG CB C 54 29.594 29.873 -0.279 1
1 604 . 18 1 1 A 54 54 ARG N N 54 121.039 124.328 -3.289 1
1 605 . 18 1 1 A 55 55 ARG H H 55 8.472 7.845 0.627 1
1 606 . 18 1 1 A 55 55 ARG HA H 55 4.253 3.999 0.254 1
1 611 . 18 1 1 A 55 55 ARG C C 55 179.367 178.144 1.223 1
1 612 . 18 1 1 A 55 55 ARG CA C 55 59.387 59.525 -0.138 1
1 613 . 18 1 1 A 55 55 ARG CB C 55 30.068 29.719 0.349 1
1 616 . 18 1 1 A 55 55 ARG N N 55 117.655 119.680 -2.025 1
1 617 . 18 1 1 A 56 56 GLU H H 56 7.849 8.241 -0.392 1
1 618 . 18 1 1 A 56 56 GLU HA H 56 3.909 4.016 -0.107 1
1 622 . 18 1 1 A 56 56 GLU C C 56 179.885 179.089 0.796 1
1 623 . 18 1 1 A 56 56 GLU CA C 56 59.421 59.304 0.117 1
1 624 . 18 1 1 A 56 56 GLU CB C 56 30.907 29.522 1.385 1
1 626 . 18 1 1 A 56 56 GLU N N 56 119.916 117.046 2.870 1
1 627 . 18 1 1 A 57 57 ILE H H 57 8.254 7.637 0.617 1
1 628 . 18 1 1 A 57 57 ILE HA H 57 3.732 3.791 -0.059 1
1 638 . 18 1 1 A 57 57 ILE C C 57 177.586 177.746 -0.160 1
1 639 . 18 1 1 A 57 57 ILE CA C 57 66.553 65.620 0.933 1
1 640 . 18 1 1 A 57 57 ILE CB C 57 38.596 37.600 0.996 1
1 644 . 18 1 1 A 57 57 ILE N N 57 122.354 120.894 1.460 1
1 645 . 18 1 1 A 58 58 ASP H H 58 8.899 8.740 0.159 1
1 646 . 18 1 1 A 58 58 ASP HA H 58 4.621 4.272 0.349 1
1 649 . 18 1 1 A 58 58 ASP C C 58 180.161 178.786 1.375 1
1 650 . 18 1 1 A 58 58 ASP CA C 58 58.114 57.667 0.447 1
1 651 . 18 1 1 A 58 58 ASP CB C 58 40.817 40.206 0.611 1
1 652 . 18 1 1 A 58 58 ASP N N 58 121.029 121.162 -0.133 1
1 653 . 18 1 1 A 59 59 SER H H 59 8.321 8.173 0.148 1
1 654 . 18 1 1 A 59 59 SER HA H 59 4.371 4.213 0.158 1
1 656 . 18 1 1 A 59 59 SER C C 59 176.017 176.840 -0.823 1
1 657 . 18 1 1 A 59 59 SER CA C 59 61.870 61.297 0.573 1
1 658 . 18 1 1 A 59 59 SER CB C 59 63.076 63.083 -0.007 1
1 659 . 18 1 1 A 59 59 SER N N 59 114.708 113.943 0.765 1
1 660 . 18 1 1 A 60 60 TRP H H 60 8.209 7.779 0.430 1
1 661 . 18 1 1 A 60 60 TRP HA H 60 4.019 4.397 -0.378 1
1 670 . 18 1 1 A 60 60 TRP C C 60 179.214 178.482 0.732 1
1 671 . 18 1 1 A 60 60 TRP CA C 60 62.981 61.328 1.653 1
1 672 . 18 1 1 A 60 60 TRP CB C 60 28.693 30.430 -1.737 1
1 678 . 18 1 1 A 60 60 TRP N N 60 123.289 124.071 -0.782 1
1 680 . 18 1 1 A 61 61 PHE H H 61 8.941 8.693 0.248 1
1 681 . 18 1 1 A 61 61 PHE HA H 61 3.798 4.007 -0.209 1
1 689 . 18 1 1 A 61 61 PHE C C 61 178.097 178.084 0.013 1
1 690 . 18 1 1 A 61 61 PHE CA C 61 63.866 61.308 2.558 1
1 691 . 18 1 1 A 61 61 PHE CB C 61 39.642 38.912 0.730 1
1 697 . 18 1 1 A 61 61 PHE N N 61 118.838 118.119 0.719 1
1 698 . 18 1 1 A 62 62 SER H H 62 8.179 8.560 -0.381 1
1 699 . 18 1 1 A 62 62 SER HA H 62 4.134 4.076 0.058 1
1 702 . 18 1 1 A 62 62 SER C C 62 177.996 176.621 1.375 1
1 703 . 18 1 1 A 62 62 SER CA C 62 62.064 62.359 -0.295 1
1 704 . 18 1 1 A 62 62 SER CB C 62 62.890 62.825 0.065 1
1 705 . 18 1 1 A 62 62 SER N N 62 113.145 115.433 -2.288 1
1 706 . 18 1 1 A 63 63 GLU H H 63 8.027 7.694 0.333 1
1 707 . 18 1 1 A 63 63 GLU HA H 63 3.910 4.015 -0.105 1
1 711 . 18 1 1 A 63 63 GLU C C 63 178.729 178.097 0.632 1
1 712 . 18 1 1 A 63 63 GLU CA C 63 58.637 59.073 -0.436 1
1 713 . 18 1 1 A 63 63 GLU CB C 63 29.188 29.230 -0.042 1
1 715 . 18 1 1 A 63 63 GLU N N 63 120.533 121.440 -0.907 1
1 716 . 18 1 1 A 64 64 ARG H H 64 8.166 7.715 0.451 1
1 717 . 18 1 1 A 64 64 ARG HA H 64 3.498 3.494 0.004 1
1 725 . 18 1 1 A 64 64 ARG C C 64 179.466 178.417 1.049 1
1 726 . 18 1 1 A 64 64 ARG CA C 64 56.502 58.824 -2.322 1
1 727 . 18 1 1 A 64 64 ARG CB C 64 28.148 29.146 -0.998 1
1 730 . 18 1 1 A 64 64 ARG N N 64 122.505 119.643 2.862 1
1 732 . 18 1 1 A 65 65 ARG H H 65 8.002 8.216 -0.214 1
1 733 . 18 1 1 A 65 65 ARG HA H 65 4.086 4.191 -0.105 1
1 740 . 18 1 1 A 65 65 ARG C C 65 177.832 178.679 -0.847 1
1 741 . 18 1 1 A 65 65 ARG CA C 65 60.054 60.043 0.011 1
1 742 . 18 1 1 A 65 65 ARG CB C 65 31.425 30.168 1.257 1
1 745 . 18 1 1 A 65 65 ARG N N 65 117.887 117.718 0.169 1
1 746 . 18 1 1 A 66 66 LYS H H 66 7.356 7.795 -0.439 1
1 747 . 18 1 1 A 66 66 LYS HA H 66 4.141 3.989 0.152 1
1 753 . 18 1 1 A 66 66 LYS C C 66 178.353 179.064 -0.711 1
1 754 . 18 1 1 A 66 66 LYS CA C 66 58.444 59.414 -0.970 1
1 755 . 18 1 1 A 66 66 LYS CB C 66 32.288 32.089 0.199 1
1 759 . 18 1 1 A 66 66 LYS N N 66 118.479 119.992 -1.513 1
1 760 . 18 1 1 A 67 67 LEU H H 67 7.604 8.204 -0.600 1
1 761 . 18 1 1 A 67 67 LEU HA H 67 4.143 3.917 0.226 1
1 771 . 18 1 1 A 67 67 LEU C C 67 178.510 179.212 -0.702 1
1 772 . 18 1 1 A 67 67 LEU CA C 67 56.712 57.981 -1.269 1
1 773 . 18 1 1 A 67 67 LEU CB C 67 41.857 41.172 0.685 1
1 777 . 18 1 1 A 67 67 LEU N N 67 120.424 119.361 1.063 1
1 778 . 18 1 1 A 68 68 ARG H H 68 7.914 8.415 -0.501 1
1 779 . 18 1 1 A 68 68 ARG HA H 68 4.262 4.064 0.198 1
1 786 . 18 1 1 A 68 68 ARG C C 68 177.396 178.742 -1.346 1
1 787 . 18 1 1 A 68 68 ARG CA C 68 57.589 59.473 -1.884 1
1 788 . 18 1 1 A 68 68 ARG CB C 68 30.211 30.306 -0.095 1
1 791 . 18 1 1 A 68 68 ARG N N 68 120.638 119.510 1.128 1
1 792 . 18 1 1 A 69 69 ASP H H 69 8.337 8.645 -0.308 1
1 793 . 18 1 1 A 69 69 ASP HA H 69 4.592 4.376 0.216 1
1 796 . 18 1 1 A 69 69 ASP C C 69 176.826 178.513 -1.687 1
1 797 . 18 1 1 A 69 69 ASP CA C 69 55.527 57.311 -1.784 1
1 798 . 18 1 1 A 69 69 ASP CB C 69 40.833 40.843 -0.010 1
1 799 . 18 1 1 A 69 69 ASP N N 69 119.845 120.523 -0.678 1
1 800 . 18 1 1 A 70 70 SER H H 70 8.002 8.134 -0.132 1
1 801 . 18 1 1 A 70 70 SER HA H 70 4.473 4.085 0.388 1
1 804 . 18 1 1 A 70 70 SER C C 70 174.524 175.672 -1.148 1
1 805 . 18 1 1 A 70 70 SER CA C 70 59.070 61.712 -2.642 1
1 806 . 18 1 1 A 70 70 SER CB C 70 63.887 63.062 0.825 1
1 807 . 18 1 1 A 70 70 SER N N 70 114.740 114.289 0.451 1
1 808 . 18 1 1 A 71 71 MET H H 71 8.117 7.370 0.747 1
1 809 . 18 1 1 A 71 71 MET HA H 71 4.559 4.403 0.156 1
1 817 . 18 1 1 A 71 71 MET C C 71 175.392 175.783 -0.391 1
1 818 . 18 1 1 A 71 71 MET CA C 71 55.711 55.961 -0.250 1
1 819 . 18 1 1 A 71 71 MET CB C 71 33.246 33.395 -0.149 1
1 822 . 18 1 1 A 71 71 MET N N 71 121.694 120.145 1.549 1
1 823 . 18 1 1 A 72 72 GLU HA H 72 4.245 4.370 -0.125 1
1 827 . 18 1 1 A 72 72 GLU C C 72 177.767 176.685 1.082 1
1 828 . 18 1 1 A 72 72 GLU CA C 72 57.871 56.799 1.072 1
1 829 . 18 1 1 A 72 72 GLU CB C 72 29.798 30.330 -0.532 1
1 831 . 18 1 1 A 73 73 GLN H H 73 8.210 9.085 -0.875 1
1 832 . 18 1 1 A 73 73 GLN HA H 73 4.177 3.931 0.246 1
1 836 . 18 1 1 A 73 73 GLN C C 73 176.422 176.878 -0.456 1
1 837 . 18 1 1 A 73 73 GLN CA C 73 56.899 59.877 -2.978 1
1 838 . 18 1 1 A 73 73 GLN CB C 73 28.852 28.803 0.049 1
1 840 . 18 1 1 A 73 73 GLN N N 73 120.076 121.906 -1.830 1
1 841 . 18 1 1 A 74 74 ALA H H 74 8.099 7.707 0.392 1
1 842 . 18 1 1 A 74 74 ALA HA H 74 4.239 4.323 -0.084 1
1 846 . 18 1 1 A 74 74 ALA C C 74 178.960 176.808 2.152 1
1 847 . 18 1 1 A 74 74 ALA CA C 74 53.837 52.459 1.378 1
1 848 . 18 1 1 A 74 74 ALA CB C 74 18.794 19.468 -0.674 1
1 849 . 18 1 1 A 74 74 ALA N N 74 123.168 120.857 2.311 1
1 850 . 18 1 1 A 75 75 VAL H H 75 7.886 8.322 -0.436 1
1 851 . 18 1 1 A 75 75 VAL HA H 75 3.985 4.347 -0.362 1
1 859 . 18 1 1 A 75 75 VAL C C 75 177.376 174.956 2.420 1
1 860 . 18 1 1 A 75 75 VAL CA C 75 63.895 62.074 1.821 1
1 861 . 18 1 1 A 75 75 VAL CB C 75 32.450 33.098 -0.648 1
1 864 . 18 1 1 A 75 75 VAL N N 75 119.018 122.749 -3.731 1
1 865 . 18 1 1 A 76 76 LEU H H 76 8.074 8.833 -0.759 1
1 866 . 18 1 1 A 76 76 LEU HA H 76 4.291 4.969 -0.678 1
1 876 . 18 1 1 A 76 76 LEU C C 76 178.363 175.482 2.881 1
1 877 . 18 1 1 A 76 76 LEU CA C 76 56.247 53.811 2.436 1
1 878 . 18 1 1 A 76 76 LEU CB C 76 42.342 43.841 -1.499 1
1 882 . 18 1 1 A 76 76 LEU N N 76 124.324 130.711 -6.387 1
1 883 . 18 1 1 A 77 77 ASP H H 77 8.443 8.813 -0.370 1
1 884 . 18 1 1 A 77 77 ASP HA H 77 4.593 5.182 -0.589 1
1 887 . 18 1 1 A 77 77 ASP C C 77 177.224 174.857 2.367 1
1 888 . 18 1 1 A 77 77 ASP CA C 77 55.364 53.318 2.046 1
1 889 . 18 1 1 A 77 77 ASP CB C 77 40.970 42.249 -1.279 1
1 890 . 18 1 1 A 77 77 ASP N N 77 120.595 127.054 -6.459 1
1 891 . 18 1 1 A 78 78 SER H H 78 8.121 8.713 -0.592 1
1 892 . 18 1 1 A 78 78 SER HA H 78 4.421 5.121 -0.700 1
1 894 . 18 1 1 A 78 78 SER C C 78 175.244 173.312 1.932 1
1 895 . 18 1 1 A 78 78 SER CA C 78 58.809 56.186 2.623 1
1 896 . 18 1 1 A 78 78 SER CB C 78 63.674 65.820 -2.146 1
1 897 . 18 1 1 A 78 78 SER N N 78 115.700 115.811 -0.111 1
1 898 . 18 1 1 A 79 79 MET H H 79 8.202 8.652 -0.450 1
1 899 . 18 1 1 A 79 79 MET HA H 79 4.525 4.288 0.237 1
1 903 . 18 1 1 A 79 79 MET C C 79 177.199 175.871 1.328 1
1 904 . 18 1 1 A 79 79 MET CA C 79 56.010 56.460 -0.450 1
1 905 . 18 1 1 A 79 79 MET CB C 79 32.610 32.386 0.224 1
1 907 . 18 1 1 A 79 79 MET N N 79 121.204 124.609 -3.405 1
1 908 . 18 1 1 A 80 80 GLY H H 80 8.268 8.444 -0.176 1
1 909 . 18 1 1 A 80 80 GLY C C 80 174.529 172.265 2.264 1
1 910 . 18 1 1 A 80 80 GLY CA C 80 45.637 45.698 -0.061 1
1 911 . 18 1 1 A 80 80 GLY N N 80 109.108 108.386 0.722 1
1 912 . 18 1 1 A 81 81 SER HA H 81 4.478 5.468 -0.990 1
1 915 . 18 1 1 A 81 81 SER C C 81 175.336 173.157 2.179 1
1 916 . 18 1 1 A 81 81 SER CA C 81 58.701 56.362 2.339 1
1 917 . 18 1 1 A 81 81 SER CB C 81 63.977 66.151 -2.174 1
1 918 . 18 1 1 A 82 82 GLY H H 82 8.526 8.473 0.053 1
1 919 . 18 1 1 A 82 82 GLY HA2 H 82 4.018 4.161 -0.143 1
1 920 . 18 1 1 A 82 82 GLY HA3 H 82 4.018 4.161 -0.143 1
1 921 . 18 1 1 A 82 82 GLY C C 82 174.290 171.878 2.412 1
1 922 . 18 1 1 A 82 82 GLY CA C 82 45.485 45.638 -0.153 1
1 923 . 18 1 1 A 82 82 GLY N N 82 110.928 112.292 -1.364 1
1 924 . 18 1 1 A 83 83 LYS H H 83 8.159 8.659 -0.500 1
1 925 . 18 1 1 A 83 83 LYS C C 83 176.692 176.365 0.327 1
1 926 . 18 1 1 A 83 83 LYS CA C 83 56.216 54.867 1.349 1
1 927 . 18 1 1 A 83 83 LYS CB C 83 33.201 35.400 -2.199 1
1 928 . 18 1 1 A 83 83 LYS N N 83 120.759 124.094 -3.335 1
1 929 . 18 1 1 A 88 88 SER HA H 88 4.509 4.309 0.200 1
1 932 . 18 1 1 A 88 88 SER C C 88 173.946 174.323 -0.377 1
1 933 . 18 1 1 A 88 88 SER CA C 88 58.432 60.974 -2.542 1
1 934 . 18 1 1 A 88 88 SER CB C 88 64.208 63.566 0.642 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.940 4.139 -0.199 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.940 4.164 -0.224 1
1 3 . 19 1 1 A 7 7 GLY C C 7 173.532 171.851 1.681 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.255 44.298 0.957 1
1 5 . 19 1 1 A 8 8 ALA H H 8 8.010 8.155 -0.145 1
1 6 . 19 1 1 A 8 8 ALA HA H 8 4.259 4.939 -0.680 1
1 10 . 19 1 1 A 8 8 ALA C C 8 176.987 177.106 -0.119 1
1 11 . 19 1 1 A 8 8 ALA CA C 8 52.334 51.015 1.319 1
1 12 . 19 1 1 A 8 8 ALA CB C 8 19.389 20.351 -0.962 1
1 13 . 19 1 1 A 8 8 ALA N N 8 123.317 122.085 1.232 1
1 14 . 19 1 1 A 9 9 TYR H H 9 8.110 8.675 -0.565 1
1 15 . 19 1 1 A 9 9 TYR HA H 9 4.832 4.340 0.492 1
1 22 . 19 1 1 A 9 9 TYR C C 9 174.112 176.178 -2.066 1
1 23 . 19 1 1 A 9 9 TYR CA C 9 55.642 61.253 -5.611 1
1 24 . 19 1 1 A 9 9 TYR CB C 9 38.292 38.393 -0.101 1
1 29 . 19 1 1 A 9 9 TYR N N 9 120.065 122.020 -1.955 1
1 30 . 19 1 1 A 10 10 PRO HA H 10 4.377 4.592 -0.215 1
1 36 . 19 1 1 A 10 10 PRO C C 10 176.388 176.440 -0.052 1
1 37 . 19 1 1 A 10 10 PRO CA C 10 63.332 62.688 0.644 1
1 38 . 19 1 1 A 10 10 PRO CB C 10 31.985 31.719 0.266 1
1 41 . 19 1 1 A 11 11 ASP H H 11 8.249 8.717 -0.468 1
1 42 . 19 1 1 A 11 11 ASP HA H 11 4.537 4.730 -0.193 1
1 45 . 19 1 1 A 11 11 ASP C C 11 175.893 175.540 0.353 1
1 46 . 19 1 1 A 11 11 ASP CA C 11 54.410 53.137 1.273 1
1 47 . 19 1 1 A 11 11 ASP CB C 11 41.149 41.714 -0.565 1
1 48 . 19 1 1 A 11 11 ASP N N 11 119.884 122.573 -2.689 1
1 49 . 19 1 1 A 12 12 PHE H H 12 8.028 8.838 -0.810 1
1 50 . 19 1 1 A 12 12 PHE HA H 12 4.616 4.962 -0.346 1
1 55 . 19 1 1 A 12 12 PHE C C 12 175.001 174.459 0.542 1
1 56 . 19 1 1 A 12 12 PHE CA C 12 57.417 57.758 -0.341 1
1 57 . 19 1 1 A 12 12 PHE CB C 12 39.577 41.107 -1.530 1
1 60 . 19 1 1 A 12 12 PHE N N 12 119.972 123.046 -3.074 1
1 61 . 19 1 1 A 13 13 ALA H H 13 8.118 7.526 0.592 1
1 62 . 19 1 1 A 13 13 ALA HA H 13 4.570 4.712 -0.142 1
1 66 . 19 1 1 A 13 13 ALA C C 13 175.002 176.479 -1.477 1
1 67 . 19 1 1 A 13 13 ALA CA C 13 50.500 48.258 2.242 1
1 68 . 19 1 1 A 13 13 ALA CB C 13 18.532 20.854 -2.322 1
1 69 . 19 1 1 A 13 13 ALA N N 13 126.968 128.498 -1.530 1
1 70 . 19 1 1 A 14 14 PRO HA H 14 4.349 4.501 -0.152 1
1 76 . 19 1 1 A 14 14 PRO C C 14 177.054 176.359 0.695 1
1 77 . 19 1 1 A 14 14 PRO CA C 14 63.380 63.871 -0.491 1
1 78 . 19 1 1 A 14 14 PRO CB C 14 31.960 31.718 0.242 1
1 81 . 19 1 1 A 15 15 GLN H H 15 8.411 7.356 1.055 1
1 82 . 19 1 1 A 15 15 GLN HA H 15 4.221 4.349 -0.128 1
1 88 . 19 1 1 A 15 15 GLN C C 15 175.815 176.557 -0.742 1
1 89 . 19 1 1 A 15 15 GLN CA C 15 55.929 55.273 0.656 1
1 90 . 19 1 1 A 15 15 GLN CB C 15 29.270 29.497 -0.227 1
1 92 . 19 1 1 A 15 15 GLN N N 15 120.172 119.827 0.345 1
1 94 . 19 1 1 A 16 16 LYS H H 16 8.171 9.009 -0.838 1
1 95 . 19 1 1 A 16 16 LYS HA H 16 4.234 3.948 0.286 1
1 102 . 19 1 1 A 16 16 LYS C C 16 176.196 175.596 0.600 1
1 103 . 19 1 1 A 16 16 LYS CA C 16 56.236 57.340 -1.104 1
1 104 . 19 1 1 A 16 16 LYS CB C 16 33.171 31.384 1.787 1
1 108 . 19 1 1 A 16 16 LYS N N 16 122.238 122.703 -0.465 1
1 109 . 19 1 1 A 17 17 PHE H H 17 8.257 8.056 0.201 1
1 110 . 19 1 1 A 17 17 PHE HA H 17 4.715 4.801 -0.086 1
1 117 . 19 1 1 A 17 17 PHE C C 17 175.737 174.952 0.785 1
1 118 . 19 1 1 A 17 17 PHE CA C 17 57.341 57.865 -0.524 1
1 119 . 19 1 1 A 17 17 PHE CB C 17 39.776 41.635 -1.859 1
1 124 . 19 1 1 A 17 17 PHE N N 17 121.572 118.076 3.496 1
1 125 . 19 1 1 A 18 18 LYS H H 18 8.411 8.791 -0.380 1
1 126 . 19 1 1 A 18 18 LYS HA H 18 4.285 4.412 -0.127 1
1 132 . 19 1 1 A 18 18 LYS C C 18 176.317 178.726 -2.409 1
1 133 . 19 1 1 A 18 18 LYS CA C 18 56.146 58.547 -2.401 1
1 134 . 19 1 1 A 18 18 LYS CB C 18 33.269 32.630 0.639 1
1 138 . 19 1 1 A 18 18 LYS N N 18 123.072 127.032 -3.960 1
1 139 . 19 1 1 A 19 19 GLU H H 19 8.494 7.981 0.513 1
1 140 . 19 1 1 A 19 19 GLU HA H 19 4.243 4.372 -0.129 1
1 144 . 19 1 1 A 19 19 GLU C C 19 176.811 176.339 0.472 1
1 145 . 19 1 1 A 19 19 GLU CA C 19 56.916 57.844 -0.928 1
1 146 . 19 1 1 A 19 19 GLU CB C 19 30.158 29.492 0.666 1
1 148 . 19 1 1 A 19 19 GLU N N 19 123.032 117.208 5.824 1
1 149 . 19 1 1 A 20 20 LYS H H 20 8.530 7.967 0.563 1
1 150 . 19 1 1 A 20 20 LYS HA H 20 4.560 5.049 -0.489 1
1 159 . 19 1 1 A 20 20 LYS C C 20 177.491 174.089 3.402 1
1 160 . 19 1 1 A 20 20 LYS CA C 20 56.105 54.813 1.292 1
1 161 . 19 1 1 A 20 20 LYS CB C 20 34.248 37.064 -2.816 1
1 165 . 19 1 1 A 20 20 LYS N N 20 123.545 117.996 5.549 1
1 166 . 19 1 1 A 21 21 THR H H 21 8.868 8.573 0.295 1
1 167 . 19 1 1 A 21 21 THR HA H 21 4.448 5.070 -0.622 1
1 172 . 19 1 1 A 21 21 THR C C 21 175.491 174.773 0.718 1
1 173 . 19 1 1 A 21 21 THR CA C 21 60.686 59.801 0.885 1
1 174 . 19 1 1 A 21 21 THR CB C 21 70.760 71.132 -0.372 1
1 176 . 19 1 1 A 21 21 THR N N 21 113.437 114.136 -0.699 1
1 177 . 19 1 1 A 22 22 GLN H H 22 8.993 9.050 -0.057 1
1 178 . 19 1 1 A 22 22 GLN HA H 22 4.055 3.957 0.098 1
1 183 . 19 1 1 A 22 22 GLN C C 22 178.882 178.687 0.195 1
1 184 . 19 1 1 A 22 22 GLN CA C 22 58.899 58.822 0.077 1
1 185 . 19 1 1 A 22 22 GLN CB C 22 28.366 28.391 -0.025 1
1 187 . 19 1 1 A 22 22 GLN N N 22 120.458 126.845 -6.387 1
1 188 . 19 1 1 A 23 23 GLY H H 23 8.580 8.490 0.090 1
1 189 . 19 1 1 A 23 23 GLY HA2 H 23 3.843 3.744 0.099 1
1 190 . 19 1 1 A 23 23 GLY HA3 H 23 3.843 3.746 0.097 1
1 191 . 19 1 1 A 23 23 GLY C C 23 176.518 175.774 0.744 1
1 192 . 19 1 1 A 23 23 GLY CA C 23 46.750 47.275 -0.525 1
1 193 . 19 1 1 A 23 23 GLY N N 23 107.047 109.540 -2.493 1
1 194 . 19 1 1 A 24 24 GLN H H 24 7.771 7.631 0.140 1
1 195 . 19 1 1 A 24 24 GLN HA H 24 3.844 3.900 -0.056 1
1 202 . 19 1 1 A 24 24 GLN C C 24 177.564 178.061 -0.497 1
1 203 . 19 1 1 A 24 24 GLN CA C 24 59.397 58.730 0.667 1
1 204 . 19 1 1 A 24 24 GLN CB C 24 29.250 28.344 0.906 1
1 206 . 19 1 1 A 24 24 GLN N N 24 120.555 121.051 -0.496 1
1 208 . 19 1 1 A 25 25 VAL H H 25 8.029 7.688 0.341 1
1 209 . 19 1 1 A 25 25 VAL HA H 25 3.163 3.324 -0.161 1
1 217 . 19 1 1 A 25 25 VAL C C 25 176.630 177.712 -1.082 1
1 218 . 19 1 1 A 25 25 VAL CA C 25 66.856 66.902 -0.046 1
1 219 . 19 1 1 A 25 25 VAL CB C 25 31.543 31.404 0.139 1
1 222 . 19 1 1 A 25 25 VAL N N 25 117.187 120.254 -3.067 1
1 223 . 19 1 1 A 26 26 LYS H H 26 7.924 8.460 -0.536 1
1 224 . 19 1 1 A 26 26 LYS HA H 26 3.995 3.968 0.027 1
1 230 . 19 1 1 A 26 26 LYS C C 26 178.199 178.681 -0.482 1
1 231 . 19 1 1 A 26 26 LYS CA C 26 59.506 59.899 -0.393 1
1 232 . 19 1 1 A 26 26 LYS CB C 26 32.209 31.978 0.231 1
1 236 . 19 1 1 A 26 26 LYS N N 26 119.341 120.087 -0.746 1
1 237 . 19 1 1 A 27 27 ILE H H 27 7.033 7.613 -0.580 1
1 238 . 19 1 1 A 27 27 ILE HA H 27 3.706 3.616 0.090 1
1 248 . 19 1 1 A 27 27 ILE C C 27 179.280 178.778 0.502 1
1 249 . 19 1 1 A 27 27 ILE CA C 27 64.803 65.177 -0.374 1
1 250 . 19 1 1 A 27 27 ILE CB C 27 38.361 37.609 0.752 1
1 254 . 19 1 1 A 27 27 ILE N N 27 117.901 120.300 -2.399 1
1 255 . 19 1 1 A 28 28 LEU H H 28 7.400 7.789 -0.389 1
1 256 . 19 1 1 A 28 28 LEU HA H 28 3.563 3.747 -0.184 1
1 266 . 19 1 1 A 28 28 LEU C C 28 177.369 178.641 -1.272 1
1 267 . 19 1 1 A 28 28 LEU CA C 28 58.256 57.725 0.531 1
1 268 . 19 1 1 A 28 28 LEU CB C 28 37.957 40.486 -2.529 1
1 272 . 19 1 1 A 28 28 LEU N N 28 121.290 119.850 1.440 1
1 273 . 19 1 1 A 29 29 GLU H H 29 8.880 8.524 0.356 1
1 274 . 19 1 1 A 29 29 GLU HA H 29 4.327 4.094 0.233 1
1 278 . 19 1 1 A 29 29 GLU C C 29 179.216 178.816 0.400 1
1 279 . 19 1 1 A 29 29 GLU CA C 29 59.430 59.833 -0.403 1
1 280 . 19 1 1 A 29 29 GLU CB C 29 29.276 29.204 0.072 1
1 282 . 19 1 1 A 29 29 GLU N N 29 120.487 117.421 3.066 1
1 283 . 19 1 1 A 30 30 ASP H H 30 8.313 8.217 0.096 1
1 284 . 19 1 1 A 30 30 ASP HA H 30 4.422 4.379 0.043 1
1 287 . 19 1 1 A 30 30 ASP C C 30 179.036 178.263 0.773 1
1 288 . 19 1 1 A 30 30 ASP CA C 30 57.388 57.753 -0.365 1
1 289 . 19 1 1 A 30 30 ASP CB C 30 40.547 42.033 -1.486 1
1 290 . 19 1 1 A 30 30 ASP N N 30 118.471 120.618 -2.147 1
1 291 . 19 1 1 A 31 31 SER H H 31 7.406 7.630 -0.224 1
1 292 . 19 1 1 A 31 31 SER HA H 31 4.290 4.248 0.042 1
1 295 . 19 1 1 A 31 31 SER C C 31 177.290 177.150 0.140 1
1 296 . 19 1 1 A 31 31 SER CA C 31 61.575 61.509 0.066 1
1 297 . 19 1 1 A 31 31 SER CB C 31 63.167 62.974 0.193 1
1 298 . 19 1 1 A 31 31 SER N N 31 113.187 114.133 -0.946 1
1 299 . 19 1 1 A 32 32 PHE H H 32 9.117 8.467 0.650 1
1 300 . 19 1 1 A 32 32 PHE HA H 32 4.369 4.181 0.188 1
1 308 . 19 1 1 A 32 32 PHE C C 32 176.545 177.244 -0.699 1
1 309 . 19 1 1 A 32 32 PHE CA C 32 61.569 61.701 -0.132 1
1 310 . 19 1 1 A 32 32 PHE CB C 32 39.362 38.960 0.402 1
1 316 . 19 1 1 A 32 32 PHE N N 32 121.840 122.412 -0.572 1
1 317 . 19 1 1 A 33 33 LEU H H 33 8.235 8.717 -0.482 1
1 318 . 19 1 1 A 33 33 LEU HA H 33 3.965 3.908 0.057 1
1 328 . 19 1 1 A 33 33 LEU C C 33 179.575 179.100 0.475 1
1 329 . 19 1 1 A 33 33 LEU CA C 33 56.998 58.261 -1.263 1
1 330 . 19 1 1 A 33 33 LEU CB C 33 42.053 41.799 0.254 1
1 334 . 19 1 1 A 33 33 LEU N N 33 115.363 119.929 -4.566 1
1 335 . 19 1 1 A 34 34 LYS H H 34 7.509 7.654 -0.145 1
1 336 . 19 1 1 A 34 34 LYS HA H 34 4.174 4.162 0.012 1
1 343 . 19 1 1 A 34 34 LYS C C 34 178.190 176.387 1.803 1
1 344 . 19 1 1 A 34 34 LYS CA C 34 58.819 58.319 0.500 1
1 345 . 19 1 1 A 34 34 LYS CB C 34 32.352 33.186 -0.834 1
1 349 . 19 1 1 A 34 34 LYS N N 34 119.688 117.219 2.469 1
1 350 . 19 1 1 A 35 35 SER H H 35 8.130 8.104 0.026 1
1 351 . 19 1 1 A 35 35 SER HA H 35 4.379 4.665 -0.286 1
1 354 . 19 1 1 A 35 35 SER C C 35 174.000 174.018 -0.018 1
1 355 . 19 1 1 A 35 35 SER CA C 35 58.202 57.712 0.490 1
1 356 . 19 1 1 A 35 35 SER CB C 35 64.375 65.013 -0.638 1
1 357 . 19 1 1 A 35 35 SER N N 35 112.275 115.012 -2.737 1
1 358 . 19 1 1 A 36 36 SER H H 36 8.404 8.371 0.033 1
1 359 . 19 1 1 A 36 36 SER HA H 36 3.952 2.850 1.102 1
1 362 . 19 1 1 A 36 36 SER C C 36 172.467 174.514 -2.047 1
1 363 . 19 1 1 A 36 36 SER CA C 36 59.127 61.480 -2.353 1
1 364 . 19 1 1 A 36 36 SER CB C 36 63.788 62.337 1.451 1
1 365 . 19 1 1 A 36 36 SER N N 36 121.307 121.071 0.236 1
1 366 . 19 1 1 A 37 37 PHE H H 37 7.735 7.712 0.023 1
1 367 . 19 1 1 A 37 37 PHE HA H 37 4.859 5.056 -0.197 1
1 375 . 19 1 1 A 37 37 PHE C C 37 172.549 173.880 -1.331 1
1 376 . 19 1 1 A 37 37 PHE CA C 37 55.604 55.139 0.465 1
1 377 . 19 1 1 A 37 37 PHE CB C 37 39.842 38.999 0.843 1
1 383 . 19 1 1 A 37 37 PHE N N 37 118.373 119.824 -1.451 1
1 384 . 19 1 1 A 38 38 PRO HA H 38 4.391 4.699 -0.308 1
1 391 . 19 1 1 A 38 38 PRO C C 38 177.660 175.876 1.784 1
1 392 . 19 1 1 A 38 38 PRO CA C 38 62.193 62.541 -0.348 1
1 393 . 19 1 1 A 38 38 PRO CB C 38 31.490 32.632 -1.142 1
1 396 . 19 1 1 A 39 39 THR H H 39 7.809 8.427 -0.618 1
1 397 . 19 1 1 A 39 39 THR HA H 39 4.322 4.726 -0.404 1
1 402 . 19 1 1 A 39 39 THR C C 39 174.966 175.407 -0.441 1
1 403 . 19 1 1 A 39 39 THR CA C 39 60.648 60.073 0.575 1
1 404 . 19 1 1 A 39 39 THR CB C 39 71.192 70.757 0.435 1
1 406 . 19 1 1 A 39 39 THR N N 39 111.373 116.215 -4.842 1
1 407 . 19 1 1 A 40 40 GLN H H 40 8.880 8.945 -0.065 1
1 408 . 19 1 1 A 40 40 GLN HA H 40 3.907 3.930 -0.023 1
1 414 . 19 1 1 A 40 40 GLN C C 40 177.855 178.140 -0.285 1
1 415 . 19 1 1 A 40 40 GLN CA C 40 59.243 59.598 -0.355 1
1 416 . 19 1 1 A 40 40 GLN CB C 40 28.107 28.404 -0.297 1
1 418 . 19 1 1 A 40 40 GLN N N 40 120.143 126.470 -6.327 1
1 420 . 19 1 1 A 41 41 ALA H H 41 8.286 8.183 0.103 1
1 421 . 19 1 1 A 41 41 ALA HA H 41 4.212 4.062 0.150 1
1 425 . 19 1 1 A 41 41 ALA C C 41 180.741 179.265 1.476 1
1 426 . 19 1 1 A 41 41 ALA CA C 41 55.009 55.359 -0.350 1
1 427 . 19 1 1 A 41 41 ALA CB C 41 18.111 18.096 0.015 1
1 428 . 19 1 1 A 41 41 ALA N N 41 119.773 122.231 -2.458 1
1 429 . 19 1 1 A 42 42 GLU H H 42 7.772 8.206 -0.434 1
1 430 . 19 1 1 A 42 42 GLU HA H 42 4.673 3.987 0.686 1
1 435 . 19 1 1 A 42 42 GLU C C 42 178.478 178.538 -0.060 1
1 436 . 19 1 1 A 42 42 GLU CA C 42 57.730 59.600 -1.870 1
1 437 . 19 1 1 A 42 42 GLU CB C 42 28.610 29.516 -0.906 1
1 439 . 19 1 1 A 42 42 GLU N N 42 122.141 118.332 3.809 1
1 440 . 19 1 1 A 43 43 LEU H H 43 8.472 8.157 0.315 1
1 441 . 19 1 1 A 43 43 LEU HA H 43 3.924 3.846 0.078 1
1 451 . 19 1 1 A 43 43 LEU C C 43 179.842 178.552 1.290 1
1 452 . 19 1 1 A 43 43 LEU CA C 43 58.828 57.819 1.009 1
1 453 . 19 1 1 A 43 43 LEU CB C 43 41.540 41.588 -0.048 1
1 457 . 19 1 1 A 43 43 LEU N N 43 121.542 120.637 0.905 1
1 458 . 19 1 1 A 44 44 ASP H H 44 8.384 8.055 0.329 1
1 459 . 19 1 1 A 44 44 ASP HA H 44 4.447 4.295 0.152 1
1 462 . 19 1 1 A 44 44 ASP C C 44 178.428 178.877 -0.449 1
1 463 . 19 1 1 A 44 44 ASP CA C 44 57.812 57.668 0.144 1
1 464 . 19 1 1 A 44 44 ASP CB C 44 40.226 41.288 -1.062 1
1 465 . 19 1 1 A 44 44 ASP N N 44 119.756 118.441 1.315 1
1 466 . 19 1 1 A 45 45 ARG H H 45 7.979 8.097 -0.118 1
1 467 . 19 1 1 A 45 45 ARG HA H 45 4.058 4.211 -0.153 1
1 475 . 19 1 1 A 45 45 ARG C C 45 179.249 178.785 0.464 1
1 476 . 19 1 1 A 45 45 ARG CA C 45 59.629 58.252 1.377 1
1 477 . 19 1 1 A 45 45 ARG CB C 45 30.553 29.983 0.570 1
1 480 . 19 1 1 A 45 45 ARG N N 45 123.029 120.034 2.995 1
1 482 . 19 1 1 A 46 46 LEU H H 46 8.943 8.123 0.820 1
1 483 . 19 1 1 A 46 46 LEU HA H 46 3.922 3.903 0.019 1
1 493 . 19 1 1 A 46 46 LEU C C 46 180.973 178.534 2.439 1
1 494 . 19 1 1 A 46 46 LEU CA C 46 57.885 57.753 0.132 1
1 495 . 19 1 1 A 46 46 LEU CB C 46 42.943 41.871 1.072 1
1 499 . 19 1 1 A 46 46 LEU N N 46 118.282 119.614 -1.332 1
1 500 . 19 1 1 A 47 47 ARG H H 47 8.421 8.067 0.354 1
1 501 . 19 1 1 A 47 47 ARG HA H 47 4.050 3.913 0.137 1
1 508 . 19 1 1 A 47 47 ARG C C 47 178.760 178.926 -0.166 1
1 509 . 19 1 1 A 47 47 ARG CA C 47 60.366 59.741 0.625 1
1 510 . 19 1 1 A 47 47 ARG CB C 47 29.957 30.098 -0.141 1
1 513 . 19 1 1 A 47 47 ARG N N 47 125.416 116.999 8.417 1
1 514 . 19 1 1 A 48 48 VAL H H 48 7.626 7.934 -0.308 1
1 515 . 19 1 1 A 48 48 VAL HA H 48 3.700 3.548 0.152 1
1 523 . 19 1 1 A 48 48 VAL C C 48 178.628 177.879 0.749 1
1 524 . 19 1 1 A 48 48 VAL CA C 48 66.325 66.633 -0.308 1
1 525 . 19 1 1 A 48 48 VAL CB C 48 31.902 31.600 0.302 1
1 528 . 19 1 1 A 48 48 VAL N N 48 119.769 120.049 -0.280 1
1 529 . 19 1 1 A 49 49 GLU H H 49 8.419 8.362 0.057 1
1 530 . 19 1 1 A 49 49 GLU HA H 49 4.202 3.966 0.236 1
1 534 . 19 1 1 A 49 49 GLU C C 49 178.866 178.687 0.179 1
1 535 . 19 1 1 A 49 49 GLU CA C 49 59.062 59.432 -0.370 1
1 536 . 19 1 1 A 49 49 GLU CB C 49 30.950 29.318 1.632 1
1 538 . 19 1 1 A 49 49 GLU N N 49 116.074 118.738 -2.664 1
1 539 . 19 1 1 A 50 50 THR H H 50 8.436 8.282 0.154 1
1 540 . 19 1 1 A 50 50 THR HA H 50 4.335 4.236 0.099 1
1 545 . 19 1 1 A 50 50 THR C C 50 175.412 174.426 0.986 1
1 546 . 19 1 1 A 50 50 THR CA C 50 63.447 62.566 0.881 1
1 547 . 19 1 1 A 50 50 THR CB C 50 71.702 69.632 2.070 1
1 549 . 19 1 1 A 50 50 THR N N 50 105.198 110.912 -5.714 1
1 550 . 19 1 1 A 51 51 LYS H H 51 7.745 7.828 -0.083 1
1 551 . 19 1 1 A 51 51 LYS HA H 51 4.032 4.196 -0.164 1
1 559 . 19 1 1 A 51 51 LYS C C 51 175.949 174.816 1.133 1
1 560 . 19 1 1 A 51 51 LYS CA C 51 58.428 57.388 1.040 1
1 561 . 19 1 1 A 51 51 LYS CB C 51 29.225 29.405 -0.180 1
1 565 . 19 1 1 A 51 51 LYS N N 51 114.904 117.058 -2.154 1
1 566 . 19 1 1 A 52 52 LEU H H 52 7.679 7.687 -0.008 1
1 567 . 19 1 1 A 52 52 LEU HA H 52 4.519 4.917 -0.398 1
1 577 . 19 1 1 A 52 52 LEU C C 52 176.301 175.917 0.384 1
1 578 . 19 1 1 A 52 52 LEU CA C 52 53.820 53.189 0.631 1
1 579 . 19 1 1 A 52 52 LEU CB C 52 43.987 45.124 -1.137 1
1 583 . 19 1 1 A 52 52 LEU N N 52 120.156 118.745 1.411 1
1 584 . 19 1 1 A 53 53 SER H H 53 8.599 8.892 -0.293 1
1 585 . 19 1 1 A 53 53 SER HA H 53 4.454 4.715 -0.261 1
1 588 . 19 1 1 A 53 53 SER C C 53 175.265 175.585 -0.320 1
1 589 . 19 1 1 A 53 53 SER CA C 53 57.586 57.103 0.483 1
1 590 . 19 1 1 A 53 53 SER CB C 53 65.402 64.952 0.450 1
1 591 . 19 1 1 A 53 53 SER N N 53 114.483 117.141 -2.658 1
1 592 . 19 1 1 A 54 54 ARG H H 54 9.030 8.801 0.229 1
1 593 . 19 1 1 A 54 54 ARG HA H 54 3.925 3.947 -0.022 1
1 599 . 19 1 1 A 54 54 ARG C C 54 178.621 178.780 -0.159 1
1 600 . 19 1 1 A 54 54 ARG CA C 54 59.660 59.851 -0.191 1
1 601 . 19 1 1 A 54 54 ARG CB C 54 29.594 30.067 -0.473 1
1 604 . 19 1 1 A 54 54 ARG N N 54 121.039 123.980 -2.941 1
1 605 . 19 1 1 A 55 55 ARG H H 55 8.472 7.962 0.510 1
1 606 . 19 1 1 A 55 55 ARG HA H 55 4.253 4.079 0.174 1
1 611 . 19 1 1 A 55 55 ARG C C 55 179.367 178.264 1.103 1
1 612 . 19 1 1 A 55 55 ARG CA C 55 59.387 59.447 -0.060 1
1 613 . 19 1 1 A 55 55 ARG CB C 55 30.068 29.864 0.204 1
1 616 . 19 1 1 A 55 55 ARG N N 55 117.655 120.073 -2.418 1
1 617 . 19 1 1 A 56 56 GLU H H 56 7.849 8.214 -0.365 1
1 618 . 19 1 1 A 56 56 GLU HA H 56 3.909 4.075 -0.166 1
1 622 . 19 1 1 A 56 56 GLU C C 56 179.885 179.363 0.522 1
1 623 . 19 1 1 A 56 56 GLU CA C 56 59.421 59.391 0.030 1
1 624 . 19 1 1 A 56 56 GLU CB C 56 30.907 29.481 1.426 1
1 626 . 19 1 1 A 56 56 GLU N N 56 119.916 118.048 1.868 1
1 627 . 19 1 1 A 57 57 ILE H H 57 8.254 7.854 0.400 1
1 628 . 19 1 1 A 57 57 ILE HA H 57 3.732 3.757 -0.025 1
1 638 . 19 1 1 A 57 57 ILE C C 57 177.586 177.771 -0.185 1
1 639 . 19 1 1 A 57 57 ILE CA C 57 66.553 65.700 0.853 1
1 640 . 19 1 1 A 57 57 ILE CB C 57 38.596 37.754 0.842 1
1 644 . 19 1 1 A 57 57 ILE N N 57 122.354 120.700 1.654 1
1 645 . 19 1 1 A 58 58 ASP H H 58 8.899 8.083 0.816 1
1 646 . 19 1 1 A 58 58 ASP HA H 58 4.621 4.313 0.308 1
1 649 . 19 1 1 A 58 58 ASP C C 58 180.161 178.391 1.770 1
1 650 . 19 1 1 A 58 58 ASP CA C 58 58.114 57.604 0.510 1
1 651 . 19 1 1 A 58 58 ASP CB C 58 40.817 40.691 0.126 1
1 652 . 19 1 1 A 58 58 ASP N N 58 121.029 121.155 -0.126 1
1 653 . 19 1 1 A 59 59 SER H H 59 8.321 7.824 0.497 1
1 654 . 19 1 1 A 59 59 SER HA H 59 4.371 4.275 0.096 1
1 656 . 19 1 1 A 59 59 SER C C 59 176.017 176.838 -0.821 1
1 657 . 19 1 1 A 59 59 SER CA C 59 61.870 61.584 0.286 1
1 658 . 19 1 1 A 59 59 SER CB C 59 63.076 62.865 0.211 1
1 659 . 19 1 1 A 59 59 SER N N 59 114.708 113.581 1.127 1
1 660 . 19 1 1 A 60 60 TRP H H 60 8.209 8.047 0.162 1
1 661 . 19 1 1 A 60 60 TRP HA H 60 4.019 4.327 -0.308 1
1 670 . 19 1 1 A 60 60 TRP C C 60 179.214 178.551 0.663 1
1 671 . 19 1 1 A 60 60 TRP CA C 60 62.981 61.299 1.682 1
1 672 . 19 1 1 A 60 60 TRP CB C 60 28.693 29.910 -1.217 1
1 678 . 19 1 1 A 60 60 TRP N N 60 123.289 124.014 -0.725 1
1 680 . 19 1 1 A 61 61 PHE H H 61 8.941 8.562 0.379 1
1 681 . 19 1 1 A 61 61 PHE HA H 61 3.798 4.203 -0.405 1
1 689 . 19 1 1 A 61 61 PHE C C 61 178.097 178.163 -0.066 1
1 690 . 19 1 1 A 61 61 PHE CA C 61 63.866 61.390 2.476 1
1 691 . 19 1 1 A 61 61 PHE CB C 61 39.642 39.005 0.637 1
1 697 . 19 1 1 A 61 61 PHE N N 61 118.838 118.207 0.631 1
1 698 . 19 1 1 A 62 62 SER H H 62 8.179 8.277 -0.098 1
1 699 . 19 1 1 A 62 62 SER HA H 62 4.134 4.171 -0.037 1
1 702 . 19 1 1 A 62 62 SER C C 62 177.996 176.720 1.276 1
1 703 . 19 1 1 A 62 62 SER CA C 62 62.064 62.511 -0.447 1
1 704 . 19 1 1 A 62 62 SER CB C 62 62.890 62.582 0.308 1
1 705 . 19 1 1 A 62 62 SER N N 62 113.145 115.489 -2.344 1
1 706 . 19 1 1 A 63 63 GLU H H 63 8.027 8.074 -0.047 1
1 707 . 19 1 1 A 63 63 GLU HA H 63 3.910 4.052 -0.142 1
1 711 . 19 1 1 A 63 63 GLU C C 63 178.729 178.623 0.106 1
1 712 . 19 1 1 A 63 63 GLU CA C 63 58.637 59.193 -0.556 1
1 713 . 19 1 1 A 63 63 GLU CB C 63 29.188 29.442 -0.254 1
1 715 . 19 1 1 A 63 63 GLU N N 63 120.533 121.695 -1.162 1
1 716 . 19 1 1 A 64 64 ARG H H 64 8.166 7.714 0.452 1
1 717 . 19 1 1 A 64 64 ARG HA H 64 3.498 3.480 0.018 1
1 725 . 19 1 1 A 64 64 ARG C C 64 179.466 178.541 0.925 1
1 726 . 19 1 1 A 64 64 ARG CA C 64 56.502 58.669 -2.167 1
1 727 . 19 1 1 A 64 64 ARG CB C 64 28.148 28.863 -0.715 1
1 730 . 19 1 1 A 64 64 ARG N N 64 122.505 120.205 2.300 1
1 732 . 19 1 1 A 65 65 ARG H H 65 8.002 8.147 -0.145 1
1 733 . 19 1 1 A 65 65 ARG HA H 65 4.086 4.285 -0.199 1
1 740 . 19 1 1 A 65 65 ARG C C 65 177.832 179.089 -1.257 1
1 741 . 19 1 1 A 65 65 ARG CA C 65 60.054 59.378 0.676 1
1 742 . 19 1 1 A 65 65 ARG CB C 65 31.425 30.179 1.246 1
1 745 . 19 1 1 A 65 65 ARG N N 65 117.887 118.119 -0.232 1
1 746 . 19 1 1 A 66 66 LYS H H 66 7.356 7.786 -0.430 1
1 747 . 19 1 1 A 66 66 LYS HA H 66 4.141 4.074 0.067 1
1 753 . 19 1 1 A 66 66 LYS C C 66 178.353 179.030 -0.677 1
1 754 . 19 1 1 A 66 66 LYS CA C 66 58.444 58.994 -0.550 1
1 755 . 19 1 1 A 66 66 LYS CB C 66 32.288 32.515 -0.227 1
1 759 . 19 1 1 A 66 66 LYS N N 66 118.479 119.521 -1.042 1
1 760 . 19 1 1 A 67 67 LEU H H 67 7.604 7.679 -0.075 1
1 761 . 19 1 1 A 67 67 LEU HA H 67 4.143 3.807 0.336 1
1 771 . 19 1 1 A 67 67 LEU C C 67 178.510 178.746 -0.236 1
1 772 . 19 1 1 A 67 67 LEU CA C 67 56.712 57.785 -1.073 1
1 773 . 19 1 1 A 67 67 LEU CB C 67 41.857 41.513 0.344 1
1 777 . 19 1 1 A 67 67 LEU N N 67 120.424 120.046 0.378 1
1 778 . 19 1 1 A 68 68 ARG H H 68 7.914 7.910 0.004 1
1 779 . 19 1 1 A 68 68 ARG HA H 68 4.262 3.938 0.324 1
1 786 . 19 1 1 A 68 68 ARG C C 68 177.396 178.223 -0.827 1
1 787 . 19 1 1 A 68 68 ARG CA C 68 57.589 59.772 -2.183 1
1 788 . 19 1 1 A 68 68 ARG CB C 68 30.211 29.970 0.241 1
1 791 . 19 1 1 A 68 68 ARG N N 68 120.638 119.009 1.629 1
1 792 . 19 1 1 A 69 69 ASP H H 69 8.337 7.999 0.338 1
1 793 . 19 1 1 A 69 69 ASP HA H 69 4.592 4.308 0.284 1
1 796 . 19 1 1 A 69 69 ASP C C 69 176.826 175.804 1.022 1
1 797 . 19 1 1 A 69 69 ASP CA C 69 55.527 57.778 -2.251 1
1 798 . 19 1 1 A 69 69 ASP CB C 69 40.833 40.820 0.013 1
1 799 . 19 1 1 A 69 69 ASP N N 69 119.845 119.803 0.042 1
1 800 . 19 1 1 A 70 70 SER H H 70 8.002 8.116 -0.114 1
1 801 . 19 1 1 A 70 70 SER HA H 70 4.473 4.213 0.260 1
1 804 . 19 1 1 A 70 70 SER C C 70 174.524 174.279 0.245 1
1 805 . 19 1 1 A 70 70 SER CA C 70 59.070 59.190 -0.120 1
1 806 . 19 1 1 A 70 70 SER CB C 70 63.887 61.510 2.377 1
1 807 . 19 1 1 A 70 70 SER N N 70 114.740 113.350 1.390 1
1 808 . 19 1 1 A 71 71 MET H H 71 8.117 7.876 0.241 1
1 809 . 19 1 1 A 71 71 MET HA H 71 4.559 4.062 0.497 1
1 817 . 19 1 1 A 71 71 MET C C 71 175.392 176.068 -0.676 1
1 818 . 19 1 1 A 71 71 MET CA C 71 55.711 58.687 -2.976 1
1 819 . 19 1 1 A 71 71 MET CB C 71 33.246 31.860 1.386 1
1 822 . 19 1 1 A 71 71 MET N N 71 121.694 118.860 2.834 1
1 823 . 19 1 1 A 72 72 GLU HA H 72 4.245 4.333 -0.088 1
1 827 . 19 1 1 A 72 72 GLU C C 72 177.767 176.191 1.576 1
1 828 . 19 1 1 A 72 72 GLU CA C 72 57.871 56.803 1.068 1
1 829 . 19 1 1 A 72 72 GLU CB C 72 29.798 29.842 -0.044 1
1 831 . 19 1 1 A 73 73 GLN H H 73 8.210 8.338 -0.128 1
1 832 . 19 1 1 A 73 73 GLN HA H 73 4.177 4.144 0.033 1
1 836 . 19 1 1 A 73 73 GLN C C 73 176.422 175.884 0.538 1
1 837 . 19 1 1 A 73 73 GLN CA C 73 56.899 56.197 0.702 1
1 838 . 19 1 1 A 73 73 GLN CB C 73 28.852 29.009 -0.157 1
1 840 . 19 1 1 A 73 73 GLN N N 73 120.076 122.438 -2.362 1
1 841 . 19 1 1 A 74 74 ALA H H 74 8.099 8.483 -0.384 1
1 842 . 19 1 1 A 74 74 ALA HA H 74 4.239 5.038 -0.799 1
1 846 . 19 1 1 A 74 74 ALA C C 74 178.960 175.997 2.963 1
1 847 . 19 1 1 A 74 74 ALA CA C 74 53.837 50.683 3.154 1
1 848 . 19 1 1 A 74 74 ALA CB C 74 18.794 24.103 -5.309 1
1 849 . 19 1 1 A 74 74 ALA N N 74 123.168 123.654 -0.486 1
1 850 . 19 1 1 A 75 75 VAL H H 75 7.886 8.577 -0.691 1
1 851 . 19 1 1 A 75 75 VAL HA H 75 3.985 4.177 -0.192 1
1 859 . 19 1 1 A 75 75 VAL C C 75 177.376 175.708 1.668 1
1 860 . 19 1 1 A 75 75 VAL CA C 75 63.895 62.366 1.529 1
1 861 . 19 1 1 A 75 75 VAL CB C 75 32.450 32.228 0.222 1
1 864 . 19 1 1 A 75 75 VAL N N 75 119.018 119.243 -0.225 1
1 865 . 19 1 1 A 76 76 LEU H H 76 8.074 8.433 -0.359 1
1 866 . 19 1 1 A 76 76 LEU HA H 76 4.291 4.469 -0.178 1
1 876 . 19 1 1 A 76 76 LEU C C 76 178.363 174.901 3.462 1
1 877 . 19 1 1 A 76 76 LEU CA C 76 56.247 56.157 0.090 1
1 878 . 19 1 1 A 76 76 LEU CB C 76 42.342 42.783 -0.441 1
1 882 . 19 1 1 A 76 76 LEU N N 76 124.324 130.176 -5.852 1
1 883 . 19 1 1 A 77 77 ASP H H 77 8.443 8.519 -0.076 1
1 884 . 19 1 1 A 77 77 ASP HA H 77 4.593 4.826 -0.233 1
1 887 . 19 1 1 A 77 77 ASP C C 77 177.224 173.808 3.416 1
1 888 . 19 1 1 A 77 77 ASP CA C 77 55.364 51.638 3.726 1
1 889 . 19 1 1 A 77 77 ASP CB C 77 40.970 44.111 -3.141 1
1 890 . 19 1 1 A 77 77 ASP N N 77 120.595 127.386 -6.791 1
1 891 . 19 1 1 A 78 78 SER H H 78 8.121 8.403 -0.282 1
1 892 . 19 1 1 A 78 78 SER HA H 78 4.421 4.435 -0.014 1
1 894 . 19 1 1 A 78 78 SER C C 78 175.244 174.515 0.729 1
1 895 . 19 1 1 A 78 78 SER CA C 78 58.809 58.588 0.221 1
1 896 . 19 1 1 A 78 78 SER CB C 78 63.674 63.666 0.008 1
1 897 . 19 1 1 A 78 78 SER N N 78 115.700 117.123 -1.423 1
1 898 . 19 1 1 A 79 79 MET H H 79 8.202 8.505 -0.303 1
1 899 . 19 1 1 A 79 79 MET HA H 79 4.525 5.385 -0.860 1
1 903 . 19 1 1 A 79 79 MET C C 79 177.199 176.082 1.117 1
1 904 . 19 1 1 A 79 79 MET CA C 79 56.010 54.310 1.700 1
1 905 . 19 1 1 A 79 79 MET CB C 79 32.610 35.865 -3.255 1
1 907 . 19 1 1 A 79 79 MET N N 79 121.204 122.754 -1.550 1
1 908 . 19 1 1 A 80 80 GLY H H 80 8.268 8.474 -0.206 1
1 909 . 19 1 1 A 80 80 GLY C C 80 174.529 172.541 1.988 1
1 910 . 19 1 1 A 80 80 GLY CA C 80 45.637 45.944 -0.307 1
1 911 . 19 1 1 A 80 80 GLY N N 80 109.108 109.559 -0.451 1
1 912 . 19 1 1 A 81 81 SER HA H 81 4.478 5.160 -0.682 1
1 915 . 19 1 1 A 81 81 SER C C 81 175.336 173.161 2.175 1
1 916 . 19 1 1 A 81 81 SER CA C 81 58.701 56.079 2.622 1
1 917 . 19 1 1 A 81 81 SER CB C 81 63.977 66.343 -2.366 1
1 918 . 19 1 1 A 82 82 GLY H H 82 8.526 8.567 -0.041 1
1 919 . 19 1 1 A 82 82 GLY HA2 H 82 4.018 4.167 -0.149 1
1 920 . 19 1 1 A 82 82 GLY HA3 H 82 4.018 4.168 -0.150 1
1 921 . 19 1 1 A 82 82 GLY C C 82 174.290 172.308 1.982 1
1 922 . 19 1 1 A 82 82 GLY CA C 82 45.485 45.242 0.243 1
1 923 . 19 1 1 A 82 82 GLY N N 82 110.928 111.014 -0.086 1
1 924 . 19 1 1 A 83 83 LYS H H 83 8.159 8.849 -0.690 1
1 925 . 19 1 1 A 83 83 LYS C C 83 176.692 175.026 1.666 1
1 926 . 19 1 1 A 83 83 LYS CA C 83 56.216 54.476 1.740 1
1 927 . 19 1 1 A 83 83 LYS CB C 83 33.201 35.948 -2.747 1
1 928 . 19 1 1 A 83 83 LYS N N 83 120.759 126.344 -5.585 1
1 929 . 19 1 1 A 88 88 SER HA H 88 4.509 5.188 -0.679 1
1 932 . 19 1 1 A 88 88 SER C C 88 173.946 173.269 0.677 1
1 933 . 19 1 1 A 88 88 SER CA C 88 58.432 56.225 2.207 1
1 934 . 19 1 1 A 88 88 SER CB C 88 64.208 66.119 -1.911 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.940 4.192 -0.252 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.940 4.204 -0.264 1
1 3 . 20 1 1 A 7 7 GLY C C 7 173.532 171.638 1.894 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.255 44.361 0.894 1
1 5 . 20 1 1 A 8 8 ALA H H 8 8.010 8.690 -0.680 1
1 6 . 20 1 1 A 8 8 ALA HA H 8 4.259 5.176 -0.917 1
1 10 . 20 1 1 A 8 8 ALA C C 8 176.987 175.995 0.992 1
1 11 . 20 1 1 A 8 8 ALA CA C 8 52.334 50.742 1.592 1
1 12 . 20 1 1 A 8 8 ALA CB C 8 19.389 20.607 -1.218 1
1 13 . 20 1 1 A 8 8 ALA N N 8 123.317 125.231 -1.914 1
1 14 . 20 1 1 A 9 9 TYR H H 9 8.110 9.064 -0.954 1
1 15 . 20 1 1 A 9 9 TYR HA H 9 4.832 4.928 -0.096 1
1 22 . 20 1 1 A 9 9 TYR C C 9 174.112 173.784 0.328 1
1 23 . 20 1 1 A 9 9 TYR CA C 9 55.642 55.926 -0.284 1
1 24 . 20 1 1 A 9 9 TYR CB C 9 38.292 39.378 -1.086 1
1 29 . 20 1 1 A 9 9 TYR N N 9 120.065 122.888 -2.823 1
1 30 . 20 1 1 A 10 10 PRO HA H 10 4.377 4.763 -0.386 1
1 36 . 20 1 1 A 10 10 PRO C C 10 176.388 175.497 0.891 1
1 37 . 20 1 1 A 10 10 PRO CA C 10 63.332 63.262 0.070 1
1 38 . 20 1 1 A 10 10 PRO CB C 10 31.985 32.406 -0.421 1
1 41 . 20 1 1 A 11 11 ASP H H 11 8.249 8.694 -0.445 1
1 42 . 20 1 1 A 11 11 ASP HA H 11 4.537 5.300 -0.763 1
1 45 . 20 1 1 A 11 11 ASP C C 11 175.893 174.004 1.889 1
1 46 . 20 1 1 A 11 11 ASP CA C 11 54.410 52.674 1.736 1
1 47 . 20 1 1 A 11 11 ASP CB C 11 41.149 45.532 -4.383 1
1 48 . 20 1 1 A 11 11 ASP N N 11 119.884 120.503 -0.619 1
1 49 . 20 1 1 A 12 12 PHE H H 12 8.028 8.853 -0.825 1
1 50 . 20 1 1 A 12 12 PHE HA H 12 4.616 5.665 -1.049 1
1 55 . 20 1 1 A 12 12 PHE C C 12 175.001 173.433 1.568 1
1 56 . 20 1 1 A 12 12 PHE CA C 12 57.417 55.339 2.078 1
1 57 . 20 1 1 A 12 12 PHE CB C 12 39.577 41.998 -2.421 1
1 60 . 20 1 1 A 12 12 PHE N N 12 119.972 117.069 2.903 1
1 61 . 20 1 1 A 13 13 ALA H H 13 8.118 8.506 -0.388 1
1 62 . 20 1 1 A 13 13 ALA HA H 13 4.570 4.687 -0.117 1
1 66 . 20 1 1 A 13 13 ALA C C 13 175.002 176.891 -1.889 1
1 67 . 20 1 1 A 13 13 ALA CA C 13 50.500 49.162 1.338 1
1 68 . 20 1 1 A 13 13 ALA CB C 13 18.532 21.396 -2.864 1
1 69 . 20 1 1 A 13 13 ALA N N 13 126.968 124.331 2.637 1
1 70 . 20 1 1 A 14 14 PRO HA H 14 4.349 4.459 -0.110 1
1 76 . 20 1 1 A 14 14 PRO C C 14 177.054 176.659 0.395 1
1 77 . 20 1 1 A 14 14 PRO CA C 14 63.380 64.785 -1.405 1
1 78 . 20 1 1 A 14 14 PRO CB C 14 31.960 32.080 -0.120 1
1 81 . 20 1 1 A 15 15 GLN H H 15 8.411 7.977 0.434 1
1 82 . 20 1 1 A 15 15 GLN HA H 15 4.221 4.754 -0.533 1
1 88 . 20 1 1 A 15 15 GLN C C 15 175.815 174.550 1.265 1
1 89 . 20 1 1 A 15 15 GLN CA C 15 55.929 54.582 1.347 1
1 90 . 20 1 1 A 15 15 GLN CB C 15 29.270 30.647 -1.377 1
1 92 . 20 1 1 A 15 15 GLN N N 15 120.172 117.475 2.697 1
1 94 . 20 1 1 A 16 16 LYS H H 16 8.171 8.813 -0.642 1
1 95 . 20 1 1 A 16 16 LYS HA H 16 4.234 5.064 -0.830 1
1 102 . 20 1 1 A 16 16 LYS C C 16 176.196 175.048 1.148 1
1 103 . 20 1 1 A 16 16 LYS CA C 16 56.236 54.986 1.250 1
1 104 . 20 1 1 A 16 16 LYS CB C 16 33.171 34.939 -1.768 1
1 108 . 20 1 1 A 16 16 LYS N N 16 122.238 121.980 0.258 1
1 109 . 20 1 1 A 17 17 PHE H H 17 8.257 9.011 -0.754 1
1 110 . 20 1 1 A 17 17 PHE HA H 17 4.715 4.939 -0.224 1
1 117 . 20 1 1 A 17 17 PHE C C 17 175.737 175.498 0.239 1
1 118 . 20 1 1 A 17 17 PHE CA C 17 57.341 56.488 0.853 1
1 119 . 20 1 1 A 17 17 PHE CB C 17 39.776 42.071 -2.295 1
1 124 . 20 1 1 A 17 17 PHE N N 17 121.572 119.865 1.707 1
1 125 . 20 1 1 A 18 18 LYS H H 18 8.411 9.040 -0.629 1
1 126 . 20 1 1 A 18 18 LYS HA H 18 4.285 4.376 -0.091 1
1 132 . 20 1 1 A 18 18 LYS C C 18 176.317 176.438 -0.121 1
1 133 . 20 1 1 A 18 18 LYS CA C 18 56.146 57.672 -1.526 1
1 134 . 20 1 1 A 18 18 LYS CB C 18 33.269 33.770 -0.501 1
1 138 . 20 1 1 A 18 18 LYS N N 18 123.072 125.769 -2.697 1
1 139 . 20 1 1 A 19 19 GLU H H 19 8.494 7.864 0.630 1
1 140 . 20 1 1 A 19 19 GLU HA H 19 4.243 4.772 -0.529 1
1 144 . 20 1 1 A 19 19 GLU C C 19 176.811 175.266 1.545 1
1 145 . 20 1 1 A 19 19 GLU CA C 19 56.916 55.092 1.824 1
1 146 . 20 1 1 A 19 19 GLU CB C 19 30.158 32.977 -2.819 1
1 148 . 20 1 1 A 19 19 GLU N N 19 123.032 114.460 8.572 1
1 149 . 20 1 1 A 20 20 LYS H H 20 8.530 8.488 0.042 1
1 150 . 20 1 1 A 20 20 LYS HA H 20 4.560 4.309 0.251 1
1 159 . 20 1 1 A 20 20 LYS C C 20 177.491 176.596 0.895 1
1 160 . 20 1 1 A 20 20 LYS CA C 20 56.105 56.840 -0.735 1
1 161 . 20 1 1 A 20 20 LYS CB C 20 34.248 32.826 1.422 1
1 165 . 20 1 1 A 20 20 LYS N N 20 123.545 121.184 2.361 1
1 166 . 20 1 1 A 21 21 THR H H 21 8.868 8.416 0.452 1
1 167 . 20 1 1 A 21 21 THR HA H 21 4.448 4.443 0.005 1
1 172 . 20 1 1 A 21 21 THR C C 21 175.491 175.738 -0.247 1
1 173 . 20 1 1 A 21 21 THR CA C 21 60.686 62.227 -1.541 1
1 174 . 20 1 1 A 21 21 THR CB C 21 70.760 69.239 1.521 1
1 176 . 20 1 1 A 21 21 THR N N 21 113.437 115.735 -2.298 1
1 177 . 20 1 1 A 22 22 GLN H H 22 8.993 9.082 -0.089 1
1 178 . 20 1 1 A 22 22 GLN HA H 22 4.055 3.934 0.121 1
1 183 . 20 1 1 A 22 22 GLN C C 22 178.882 179.099 -0.217 1
1 184 . 20 1 1 A 22 22 GLN CA C 22 58.899 58.753 0.146 1
1 185 . 20 1 1 A 22 22 GLN CB C 22 28.366 28.494 -0.128 1
1 187 . 20 1 1 A 22 22 GLN N N 22 120.458 126.584 -6.126 1
1 188 . 20 1 1 A 23 23 GLY H H 23 8.580 8.459 0.121 1
1 189 . 20 1 1 A 23 23 GLY HA2 H 23 3.843 3.712 0.131 1
1 190 . 20 1 1 A 23 23 GLY HA3 H 23 3.843 3.714 0.129 1
1 191 . 20 1 1 A 23 23 GLY C C 23 176.518 175.842 0.676 1
1 192 . 20 1 1 A 23 23 GLY CA C 23 46.750 47.138 -0.388 1
1 193 . 20 1 1 A 23 23 GLY N N 23 107.047 109.585 -2.538 1
1 194 . 20 1 1 A 24 24 GLN H H 24 7.771 7.930 -0.159 1
1 195 . 20 1 1 A 24 24 GLN HA H 24 3.844 3.907 -0.063 1
1 202 . 20 1 1 A 24 24 GLN C C 24 177.564 178.308 -0.744 1
1 203 . 20 1 1 A 24 24 GLN CA C 24 59.397 58.695 0.702 1
1 204 . 20 1 1 A 24 24 GLN CB C 24 29.250 28.463 0.787 1
1 206 . 20 1 1 A 24 24 GLN N N 24 120.555 121.021 -0.466 1
1 208 . 20 1 1 A 25 25 VAL H H 25 8.029 7.987 0.042 1
1 209 . 20 1 1 A 25 25 VAL HA H 25 3.163 3.241 -0.078 1
1 217 . 20 1 1 A 25 25 VAL C C 25 176.630 177.715 -1.085 1
1 218 . 20 1 1 A 25 25 VAL CA C 25 66.856 66.931 -0.075 1
1 219 . 20 1 1 A 25 25 VAL CB C 25 31.543 31.326 0.217 1
1 222 . 20 1 1 A 25 25 VAL N N 25 117.187 120.288 -3.101 1
1 223 . 20 1 1 A 26 26 LYS H H 26 7.924 8.467 -0.543 1
1 224 . 20 1 1 A 26 26 LYS HA H 26 3.995 3.858 0.137 1
1 230 . 20 1 1 A 26 26 LYS C C 26 178.199 178.487 -0.288 1
1 231 . 20 1 1 A 26 26 LYS CA C 26 59.506 60.307 -0.801 1
1 232 . 20 1 1 A 26 26 LYS CB C 26 32.209 32.140 0.069 1
1 236 . 20 1 1 A 26 26 LYS N N 26 119.341 120.365 -1.024 1
1 237 . 20 1 1 A 27 27 ILE H H 27 7.033 7.803 -0.770 1
1 238 . 20 1 1 A 27 27 ILE HA H 27 3.706 3.662 0.044 1
1 248 . 20 1 1 A 27 27 ILE C C 27 179.280 178.666 0.614 1
1 249 . 20 1 1 A 27 27 ILE CA C 27 64.803 65.029 -0.226 1
1 250 . 20 1 1 A 27 27 ILE CB C 27 38.361 37.254 1.107 1
1 254 . 20 1 1 A 27 27 ILE N N 27 117.901 120.155 -2.254 1
1 255 . 20 1 1 A 28 28 LEU H H 28 7.400 7.679 -0.279 1
1 256 . 20 1 1 A 28 28 LEU HA H 28 3.563 3.954 -0.391 1
1 266 . 20 1 1 A 28 28 LEU C C 28 177.369 178.574 -1.205 1
1 267 . 20 1 1 A 28 28 LEU CA C 28 58.256 58.108 0.148 1
1 268 . 20 1 1 A 28 28 LEU CB C 28 37.957 41.206 -3.249 1
1 272 . 20 1 1 A 28 28 LEU N N 28 121.290 120.549 0.741 1
1 273 . 20 1 1 A 29 29 GLU H H 29 8.880 8.529 0.351 1
1 274 . 20 1 1 A 29 29 GLU HA H 29 4.327 4.130 0.197 1
1 278 . 20 1 1 A 29 29 GLU C C 29 179.216 178.737 0.479 1
1 279 . 20 1 1 A 29 29 GLU CA C 29 59.430 59.878 -0.448 1
1 280 . 20 1 1 A 29 29 GLU CB C 29 29.276 29.401 -0.125 1
1 282 . 20 1 1 A 29 29 GLU N N 29 120.487 116.880 3.607 1
1 283 . 20 1 1 A 30 30 ASP H H 30 8.313 8.197 0.116 1
1 284 . 20 1 1 A 30 30 ASP HA H 30 4.422 4.391 0.031 1
1 287 . 20 1 1 A 30 30 ASP C C 30 179.036 178.628 0.408 1
1 288 . 20 1 1 A 30 30 ASP CA C 30 57.388 57.581 -0.193 1
1 289 . 20 1 1 A 30 30 ASP CB C 30 40.547 41.963 -1.416 1
1 290 . 20 1 1 A 30 30 ASP N N 30 118.471 120.140 -1.669 1
1 291 . 20 1 1 A 31 31 SER H H 31 7.406 8.299 -0.893 1
1 292 . 20 1 1 A 31 31 SER HA H 31 4.290 4.155 0.135 1
1 295 . 20 1 1 A 31 31 SER C C 31 177.290 175.904 1.386 1
1 296 . 20 1 1 A 31 31 SER CA C 31 61.575 62.381 -0.806 1
1 297 . 20 1 1 A 31 31 SER CB C 31 63.167 63.360 -0.193 1
1 298 . 20 1 1 A 31 31 SER N N 31 113.187 116.964 -3.777 1
1 299 . 20 1 1 A 32 32 PHE H H 32 9.117 8.487 0.630 1
1 300 . 20 1 1 A 32 32 PHE HA H 32 4.369 4.182 0.187 1
1 308 . 20 1 1 A 32 32 PHE C C 32 176.545 177.208 -0.663 1
1 309 . 20 1 1 A 32 32 PHE CA C 32 61.569 61.853 -0.284 1
1 310 . 20 1 1 A 32 32 PHE CB C 32 39.362 39.024 0.338 1
1 316 . 20 1 1 A 32 32 PHE N N 32 121.840 122.783 -0.943 1
1 317 . 20 1 1 A 33 33 LEU H H 33 8.235 8.946 -0.711 1
1 318 . 20 1 1 A 33 33 LEU HA H 33 3.965 4.109 -0.144 1
1 328 . 20 1 1 A 33 33 LEU C C 33 179.575 179.289 0.286 1
1 329 . 20 1 1 A 33 33 LEU CA C 33 56.998 58.422 -1.424 1
1 330 . 20 1 1 A 33 33 LEU CB C 33 42.053 41.821 0.232 1
1 334 . 20 1 1 A 33 33 LEU N N 33 115.363 120.263 -4.900 1
1 335 . 20 1 1 A 34 34 LYS H H 34 7.509 7.653 -0.144 1
1 336 . 20 1 1 A 34 34 LYS HA H 34 4.174 4.226 -0.052 1
1 343 . 20 1 1 A 34 34 LYS C C 34 178.190 176.865 1.325 1
1 344 . 20 1 1 A 34 34 LYS CA C 34 58.819 58.349 0.470 1
1 345 . 20 1 1 A 34 34 LYS CB C 34 32.352 33.107 -0.755 1
1 349 . 20 1 1 A 34 34 LYS N N 34 119.688 117.057 2.631 1
1 350 . 20 1 1 A 35 35 SER H H 35 8.130 8.207 -0.077 1
1 351 . 20 1 1 A 35 35 SER HA H 35 4.379 4.692 -0.313 1
1 354 . 20 1 1 A 35 35 SER C C 35 174.000 174.649 -0.649 1
1 355 . 20 1 1 A 35 35 SER CA C 35 58.202 56.658 1.544 1
1 356 . 20 1 1 A 35 35 SER CB C 35 64.375 64.450 -0.075 1
1 357 . 20 1 1 A 35 35 SER N N 35 112.275 112.810 -0.535 1
1 358 . 20 1 1 A 36 36 SER H H 36 8.404 8.613 -0.209 1
1 359 . 20 1 1 A 36 36 SER HA H 36 3.952 2.796 1.156 1
1 362 . 20 1 1 A 36 36 SER C C 36 172.467 174.583 -2.116 1
1 363 . 20 1 1 A 36 36 SER CA C 36 59.127 61.551 -2.424 1
1 364 . 20 1 1 A 36 36 SER CB C 36 63.788 62.363 1.425 1
1 365 . 20 1 1 A 36 36 SER N N 36 121.307 122.020 -0.713 1
1 366 . 20 1 1 A 37 37 PHE H H 37 7.735 8.055 -0.320 1
1 367 . 20 1 1 A 37 37 PHE HA H 37 4.859 4.935 -0.076 1
1 375 . 20 1 1 A 37 37 PHE C C 37 172.549 173.841 -1.292 1
1 376 . 20 1 1 A 37 37 PHE CA C 37 55.604 55.142 0.462 1
1 377 . 20 1 1 A 37 37 PHE CB C 37 39.842 38.884 0.958 1
1 383 . 20 1 1 A 37 37 PHE N N 37 118.373 119.759 -1.386 1
1 384 . 20 1 1 A 38 38 PRO HA H 38 4.391 4.645 -0.254 1
1 391 . 20 1 1 A 38 38 PRO C C 38 177.660 175.459 2.201 1
1 392 . 20 1 1 A 38 38 PRO CA C 38 62.193 62.348 -0.155 1
1 393 . 20 1 1 A 38 38 PRO CB C 38 31.490 33.060 -1.570 1
1 396 . 20 1 1 A 39 39 THR H H 39 7.809 8.378 -0.569 1
1 397 . 20 1 1 A 39 39 THR HA H 39 4.322 4.948 -0.626 1
1 402 . 20 1 1 A 39 39 THR C C 39 174.966 175.145 -0.179 1
1 403 . 20 1 1 A 39 39 THR CA C 39 60.648 59.712 0.936 1
1 404 . 20 1 1 A 39 39 THR CB C 39 71.192 71.062 0.130 1
1 406 . 20 1 1 A 39 39 THR N N 39 111.373 115.876 -4.503 1
1 407 . 20 1 1 A 40 40 GLN H H 40 8.880 9.102 -0.222 1
1 408 . 20 1 1 A 40 40 GLN HA H 40 3.907 3.932 -0.025 1
1 414 . 20 1 1 A 40 40 GLN C C 40 177.855 178.106 -0.251 1
1 415 . 20 1 1 A 40 40 GLN CA C 40 59.243 59.648 -0.405 1
1 416 . 20 1 1 A 40 40 GLN CB C 40 28.107 28.386 -0.279 1
1 418 . 20 1 1 A 40 40 GLN N N 40 120.143 126.273 -6.130 1
1 420 . 20 1 1 A 41 41 ALA H H 41 8.286 8.219 0.067 1
1 421 . 20 1 1 A 41 41 ALA HA H 41 4.212 4.060 0.152 1
1 425 . 20 1 1 A 41 41 ALA C C 41 180.741 179.344 1.397 1
1 426 . 20 1 1 A 41 41 ALA CA C 41 55.009 55.448 -0.439 1
1 427 . 20 1 1 A 41 41 ALA CB C 41 18.111 18.329 -0.218 1
1 428 . 20 1 1 A 41 41 ALA N N 41 119.773 122.413 -2.640 1
1 429 . 20 1 1 A 42 42 GLU H H 42 7.772 8.162 -0.390 1
1 430 . 20 1 1 A 42 42 GLU HA H 42 4.673 3.983 0.690 1
1 435 . 20 1 1 A 42 42 GLU C C 42 178.478 178.655 -0.177 1
1 436 . 20 1 1 A 42 42 GLU CA C 42 57.730 59.663 -1.933 1
1 437 . 20 1 1 A 42 42 GLU CB C 42 28.610 29.455 -0.845 1
1 439 . 20 1 1 A 42 42 GLU N N 42 122.141 118.601 3.540 1
1 440 . 20 1 1 A 43 43 LEU H H 43 8.472 8.164 0.308 1
1 441 . 20 1 1 A 43 43 LEU HA H 43 3.924 3.865 0.059 1
1 451 . 20 1 1 A 43 43 LEU C C 43 179.842 178.595 1.247 1
1 452 . 20 1 1 A 43 43 LEU CA C 43 58.828 57.685 1.143 1
1 453 . 20 1 1 A 43 43 LEU CB C 43 41.540 41.516 0.024 1
1 457 . 20 1 1 A 43 43 LEU N N 43 121.542 120.671 0.871 1
1 458 . 20 1 1 A 44 44 ASP H H 44 8.384 8.031 0.353 1
1 459 . 20 1 1 A 44 44 ASP HA H 44 4.447 4.318 0.129 1
1 462 . 20 1 1 A 44 44 ASP C C 44 178.428 178.875 -0.447 1
1 463 . 20 1 1 A 44 44 ASP CA C 44 57.812 57.538 0.274 1
1 464 . 20 1 1 A 44 44 ASP CB C 44 40.226 41.387 -1.161 1
1 465 . 20 1 1 A 44 44 ASP N N 44 119.756 118.438 1.318 1
1 466 . 20 1 1 A 45 45 ARG H H 45 7.979 8.234 -0.255 1
1 467 . 20 1 1 A 45 45 ARG HA H 45 4.058 4.116 -0.058 1
1 475 . 20 1 1 A 45 45 ARG C C 45 179.249 178.661 0.588 1
1 476 . 20 1 1 A 45 45 ARG CA C 45 59.629 58.321 1.308 1
1 477 . 20 1 1 A 45 45 ARG CB C 45 30.553 29.945 0.608 1
1 480 . 20 1 1 A 45 45 ARG N N 45 123.029 120.106 2.923 1
1 482 . 20 1 1 A 46 46 LEU H H 46 8.943 8.337 0.606 1
1 483 . 20 1 1 A 46 46 LEU HA H 46 3.922 3.889 0.033 1
1 493 . 20 1 1 A 46 46 LEU C C 46 180.973 179.086 1.887 1
1 494 . 20 1 1 A 46 46 LEU CA C 46 57.885 57.838 0.047 1
1 495 . 20 1 1 A 46 46 LEU CB C 46 42.943 41.471 1.472 1
1 499 . 20 1 1 A 46 46 LEU N N 46 118.282 119.551 -1.269 1
1 500 . 20 1 1 A 47 47 ARG H H 47 8.421 8.531 -0.110 1
1 501 . 20 1 1 A 47 47 ARG HA H 47 4.050 3.981 0.069 1
1 508 . 20 1 1 A 47 47 ARG C C 47 178.760 178.458 0.302 1
1 509 . 20 1 1 A 47 47 ARG CA C 47 60.366 59.258 1.108 1
1 510 . 20 1 1 A 47 47 ARG CB C 47 29.957 29.954 0.003 1
1 513 . 20 1 1 A 47 47 ARG N N 47 125.416 117.904 7.512 1
1 514 . 20 1 1 A 48 48 VAL H H 48 7.626 7.621 0.005 1
1 515 . 20 1 1 A 48 48 VAL HA H 48 3.700 3.750 -0.050 1
1 523 . 20 1 1 A 48 48 VAL C C 48 178.628 177.646 0.982 1
1 524 . 20 1 1 A 48 48 VAL CA C 48 66.325 64.917 1.408 1
1 525 . 20 1 1 A 48 48 VAL CB C 48 31.902 31.179 0.723 1
1 528 . 20 1 1 A 48 48 VAL N N 48 119.769 119.604 0.165 1
1 529 . 20 1 1 A 49 49 GLU H H 49 8.419 8.599 -0.180 1
1 530 . 20 1 1 A 49 49 GLU HA H 49 4.202 3.988 0.214 1
1 534 . 20 1 1 A 49 49 GLU C C 49 178.866 179.063 -0.197 1
1 535 . 20 1 1 A 49 49 GLU CA C 49 59.062 59.331 -0.269 1
1 536 . 20 1 1 A 49 49 GLU CB C 49 30.950 29.450 1.500 1
1 538 . 20 1 1 A 49 49 GLU N N 49 116.074 121.946 -5.872 1
1 539 . 20 1 1 A 50 50 THR H H 50 8.436 8.242 0.194 1
1 540 . 20 1 1 A 50 50 THR HA H 50 4.335 4.224 0.111 1
1 545 . 20 1 1 A 50 50 THR C C 50 175.412 174.261 1.151 1
1 546 . 20 1 1 A 50 50 THR CA C 50 63.447 62.429 1.018 1
1 547 . 20 1 1 A 50 50 THR CB C 50 71.702 69.361 2.341 1
1 549 . 20 1 1 A 50 50 THR N N 50 105.198 110.449 -5.251 1
1 550 . 20 1 1 A 51 51 LYS H H 51 7.745 7.799 -0.054 1
1 551 . 20 1 1 A 51 51 LYS HA H 51 4.032 3.771 0.261 1
1 559 . 20 1 1 A 51 51 LYS C C 51 175.949 174.530 1.419 1
1 560 . 20 1 1 A 51 51 LYS CA C 51 58.428 57.294 1.134 1
1 561 . 20 1 1 A 51 51 LYS CB C 51 29.225 29.152 0.073 1
1 565 . 20 1 1 A 51 51 LYS N N 51 114.904 116.813 -1.909 1
1 566 . 20 1 1 A 52 52 LEU H H 52 7.679 7.888 -0.209 1
1 567 . 20 1 1 A 52 52 LEU HA H 52 4.519 4.878 -0.359 1
1 577 . 20 1 1 A 52 52 LEU C C 52 176.301 176.056 0.245 1
1 578 . 20 1 1 A 52 52 LEU CA C 52 53.820 53.166 0.654 1
1 579 . 20 1 1 A 52 52 LEU CB C 52 43.987 45.130 -1.143 1
1 583 . 20 1 1 A 52 52 LEU N N 52 120.156 118.807 1.349 1
1 584 . 20 1 1 A 53 53 SER H H 53 8.599 8.876 -0.277 1
1 585 . 20 1 1 A 53 53 SER HA H 53 4.454 4.648 -0.194 1
1 588 . 20 1 1 A 53 53 SER C C 53 175.265 175.767 -0.502 1
1 589 . 20 1 1 A 53 53 SER CA C 53 57.586 57.217 0.369 1
1 590 . 20 1 1 A 53 53 SER CB C 53 65.402 64.832 0.570 1
1 591 . 20 1 1 A 53 53 SER N N 53 114.483 117.596 -3.113 1
1 592 . 20 1 1 A 54 54 ARG H H 54 9.030 8.884 0.146 1
1 593 . 20 1 1 A 54 54 ARG HA H 54 3.925 3.897 0.028 1
1 599 . 20 1 1 A 54 54 ARG C C 54 178.621 177.995 0.626 1
1 600 . 20 1 1 A 54 54 ARG CA C 54 59.660 59.911 -0.251 1
1 601 . 20 1 1 A 54 54 ARG CB C 54 29.594 29.938 -0.344 1
1 604 . 20 1 1 A 54 54 ARG N N 54 121.039 124.127 -3.088 1
1 605 . 20 1 1 A 55 55 ARG H H 55 8.472 8.176 0.296 1
1 606 . 20 1 1 A 55 55 ARG HA H 55 4.253 4.066 0.187 1
1 611 . 20 1 1 A 55 55 ARG C C 55 179.367 178.742 0.625 1
1 612 . 20 1 1 A 55 55 ARG CA C 55 59.387 59.099 0.288 1
1 613 . 20 1 1 A 55 55 ARG CB C 55 30.068 30.055 0.013 1
1 616 . 20 1 1 A 55 55 ARG N N 55 117.655 118.451 -0.796 1
1 617 . 20 1 1 A 56 56 GLU H H 56 7.849 8.163 -0.314 1
1 618 . 20 1 1 A 56 56 GLU HA H 56 3.909 4.019 -0.110 1
1 622 . 20 1 1 A 56 56 GLU C C 56 179.885 179.454 0.431 1
1 623 . 20 1 1 A 56 56 GLU CA C 56 59.421 59.185 0.236 1
1 624 . 20 1 1 A 56 56 GLU CB C 56 30.907 29.136 1.771 1
1 626 . 20 1 1 A 56 56 GLU N N 56 119.916 119.122 0.794 1
1 627 . 20 1 1 A 57 57 ILE H H 57 8.254 7.836 0.418 1
1 628 . 20 1 1 A 57 57 ILE HA H 57 3.732 3.801 -0.069 1
1 638 . 20 1 1 A 57 57 ILE C C 57 177.586 177.863 -0.277 1
1 639 . 20 1 1 A 57 57 ILE CA C 57 66.553 65.431 1.122 1
1 640 . 20 1 1 A 57 57 ILE CB C 57 38.596 38.112 0.484 1
1 644 . 20 1 1 A 57 57 ILE N N 57 122.354 121.082 1.272 1
1 645 . 20 1 1 A 58 58 ASP H H 58 8.899 8.146 0.753 1
1 646 . 20 1 1 A 58 58 ASP HA H 58 4.621 4.261 0.360 1
1 649 . 20 1 1 A 58 58 ASP C C 58 180.161 178.638 1.523 1
1 650 . 20 1 1 A 58 58 ASP CA C 58 58.114 57.477 0.637 1
1 651 . 20 1 1 A 58 58 ASP CB C 58 40.817 40.667 0.150 1
1 652 . 20 1 1 A 58 58 ASP N N 58 121.029 121.087 -0.058 1
1 653 . 20 1 1 A 59 59 SER H H 59 8.321 8.058 0.263 1
1 654 . 20 1 1 A 59 59 SER HA H 59 4.371 4.191 0.180 1
1 656 . 20 1 1 A 59 59 SER C C 59 176.017 175.941 0.076 1
1 657 . 20 1 1 A 59 59 SER CA C 59 61.870 62.420 -0.550 1
1 658 . 20 1 1 A 59 59 SER CB C 59 63.076 62.959 0.117 1
1 659 . 20 1 1 A 59 59 SER N N 59 114.708 116.404 -1.696 1
1 660 . 20 1 1 A 60 60 TRP H H 60 8.209 8.289 -0.080 1
1 661 . 20 1 1 A 60 60 TRP HA H 60 4.019 4.375 -0.356 1
1 670 . 20 1 1 A 60 60 TRP C C 60 179.214 178.541 0.673 1
1 671 . 20 1 1 A 60 60 TRP CA C 60 62.981 61.316 1.665 1
1 672 . 20 1 1 A 60 60 TRP CB C 60 28.693 30.316 -1.623 1
1 678 . 20 1 1 A 60 60 TRP N N 60 123.289 123.958 -0.669 1
1 680 . 20 1 1 A 61 61 PHE H H 61 8.941 8.537 0.404 1
1 681 . 20 1 1 A 61 61 PHE HA H 61 3.798 4.247 -0.449 1
1 689 . 20 1 1 A 61 61 PHE C C 61 178.097 178.091 0.006 1
1 690 . 20 1 1 A 61 61 PHE CA C 61 63.866 61.691 2.175 1
1 691 . 20 1 1 A 61 61 PHE CB C 61 39.642 39.135 0.507 1
1 697 . 20 1 1 A 61 61 PHE N N 61 118.838 118.344 0.494 1
1 698 . 20 1 1 A 62 62 SER H H 62 8.179 8.610 -0.431 1
1 699 . 20 1 1 A 62 62 SER HA H 62 4.134 4.129 0.005 1
1 702 . 20 1 1 A 62 62 SER C C 62 177.996 176.967 1.029 1
1 703 . 20 1 1 A 62 62 SER CA C 62 62.064 61.622 0.442 1
1 704 . 20 1 1 A 62 62 SER CB C 62 62.890 63.101 -0.211 1
1 705 . 20 1 1 A 62 62 SER N N 62 113.145 114.607 -1.462 1
1 706 . 20 1 1 A 63 63 GLU H H 63 8.027 7.526 0.501 1
1 707 . 20 1 1 A 63 63 GLU HA H 63 3.910 4.122 -0.212 1
1 711 . 20 1 1 A 63 63 GLU C C 63 178.729 178.795 -0.066 1
1 712 . 20 1 1 A 63 63 GLU CA C 63 58.637 59.064 -0.427 1
1 713 . 20 1 1 A 63 63 GLU CB C 63 29.188 29.485 -0.297 1
1 715 . 20 1 1 A 63 63 GLU N N 63 120.533 121.516 -0.983 1
1 716 . 20 1 1 A 64 64 ARG H H 64 8.166 7.864 0.302 1
1 717 . 20 1 1 A 64 64 ARG HA H 64 3.498 3.433 0.065 1
1 725 . 20 1 1 A 64 64 ARG C C 64 179.466 178.459 1.007 1
1 726 . 20 1 1 A 64 64 ARG CA C 64 56.502 58.965 -2.463 1
1 727 . 20 1 1 A 64 64 ARG CB C 64 28.148 29.224 -1.076 1
1 730 . 20 1 1 A 64 64 ARG N N 64 122.505 120.337 2.168 1
1 732 . 20 1 1 A 65 65 ARG H H 65 8.002 8.114 -0.112 1
1 733 . 20 1 1 A 65 65 ARG HA H 65 4.086 4.166 -0.080 1
1 740 . 20 1 1 A 65 65 ARG C C 65 177.832 178.695 -0.863 1
1 741 . 20 1 1 A 65 65 ARG CA C 65 60.054 59.904 0.150 1
1 742 . 20 1 1 A 65 65 ARG CB C 65 31.425 30.133 1.292 1
1 745 . 20 1 1 A 65 65 ARG N N 65 117.887 117.921 -0.034 1
1 746 . 20 1 1 A 66 66 LYS H H 66 7.356 7.259 0.097 1
1 747 . 20 1 1 A 66 66 LYS HA H 66 4.141 4.010 0.131 1
1 753 . 20 1 1 A 66 66 LYS C C 66 178.353 179.037 -0.684 1
1 754 . 20 1 1 A 66 66 LYS CA C 66 58.444 59.048 -0.604 1
1 755 . 20 1 1 A 66 66 LYS CB C 66 32.288 32.315 -0.027 1
1 759 . 20 1 1 A 66 66 LYS N N 66 118.479 119.821 -1.342 1
1 760 . 20 1 1 A 67 67 LEU H H 67 7.604 8.269 -0.665 1
1 761 . 20 1 1 A 67 67 LEU HA H 67 4.143 3.925 0.218 1
1 771 . 20 1 1 A 67 67 LEU C C 67 178.510 178.546 -0.036 1
1 772 . 20 1 1 A 67 67 LEU CA C 67 56.712 58.128 -1.416 1
1 773 . 20 1 1 A 67 67 LEU CB C 67 41.857 41.658 0.199 1
1 777 . 20 1 1 A 67 67 LEU N N 67 120.424 118.271 2.153 1
1 778 . 20 1 1 A 68 68 ARG H H 68 7.914 8.121 -0.207 1
1 779 . 20 1 1 A 68 68 ARG HA H 68 4.262 3.897 0.365 1
1 786 . 20 1 1 A 68 68 ARG C C 68 177.396 178.257 -0.861 1
1 787 . 20 1 1 A 68 68 ARG CA C 68 57.589 59.820 -2.231 1
1 788 . 20 1 1 A 68 68 ARG CB C 68 30.211 30.031 0.180 1
1 791 . 20 1 1 A 68 68 ARG N N 68 120.638 119.480 1.158 1
1 792 . 20 1 1 A 69 69 ASP H H 69 8.337 7.701 0.636 1
1 793 . 20 1 1 A 69 69 ASP HA H 69 4.592 4.383 0.209 1
1 796 . 20 1 1 A 69 69 ASP C C 69 176.826 176.002 0.824 1
1 797 . 20 1 1 A 69 69 ASP CA C 69 55.527 57.208 -1.681 1
1 798 . 20 1 1 A 69 69 ASP CB C 69 40.833 40.520 0.313 1
1 799 . 20 1 1 A 69 69 ASP N N 69 119.845 119.703 0.142 1
1 800 . 20 1 1 A 70 70 SER H H 70 8.002 8.202 -0.200 1
1 801 . 20 1 1 A 70 70 SER HA H 70 4.473 4.107 0.366 1
1 804 . 20 1 1 A 70 70 SER C C 70 174.524 174.680 -0.156 1
1 805 . 20 1 1 A 70 70 SER CA C 70 59.070 59.036 0.034 1
1 806 . 20 1 1 A 70 70 SER CB C 70 63.887 61.805 2.082 1
1 807 . 20 1 1 A 70 70 SER N N 70 114.740 113.991 0.749 1
1 808 . 20 1 1 A 71 71 MET H H 71 8.117 7.957 0.160 1
1 809 . 20 1 1 A 71 71 MET HA H 71 4.559 4.311 0.248 1
1 817 . 20 1 1 A 71 71 MET C C 71 175.392 175.465 -0.073 1
1 818 . 20 1 1 A 71 71 MET CA C 71 55.711 57.772 -2.061 1
1 819 . 20 1 1 A 71 71 MET CB C 71 33.246 32.815 0.431 1
1 822 . 20 1 1 A 71 71 MET N N 71 121.694 120.401 1.293 1
1 823 . 20 1 1 A 72 72 GLU HA H 72 4.245 4.828 -0.583 1
1 827 . 20 1 1 A 72 72 GLU C C 72 177.767 174.542 3.225 1
1 828 . 20 1 1 A 72 72 GLU CA C 72 57.871 54.460 3.411 1
1 829 . 20 1 1 A 72 72 GLU CB C 72 29.798 33.247 -3.449 1
1 831 . 20 1 1 A 73 73 GLN H H 73 8.210 9.046 -0.836 1
1 832 . 20 1 1 A 73 73 GLN HA H 73 4.177 5.215 -1.038 1
1 836 . 20 1 1 A 73 73 GLN C C 73 176.422 173.889 2.533 1
1 837 . 20 1 1 A 73 73 GLN CA C 73 56.899 54.535 2.364 1
1 838 . 20 1 1 A 73 73 GLN CB C 73 28.852 32.818 -3.966 1
1 840 . 20 1 1 A 73 73 GLN N N 73 120.076 120.686 -0.610 1
1 841 . 20 1 1 A 74 74 ALA H H 74 8.099 8.168 -0.069 1
1 842 . 20 1 1 A 74 74 ALA HA H 74 4.239 5.165 -0.926 1
1 846 . 20 1 1 A 74 74 ALA C C 74 178.960 176.143 2.817 1
1 847 . 20 1 1 A 74 74 ALA CA C 74 53.837 50.969 2.868 1
1 848 . 20 1 1 A 74 74 ALA CB C 74 18.794 22.824 -4.030 1
1 849 . 20 1 1 A 74 74 ALA N N 74 123.168 121.763 1.405 1
1 850 . 20 1 1 A 75 75 VAL H H 75 7.886 8.604 -0.718 1
1 851 . 20 1 1 A 75 75 VAL HA H 75 3.985 4.365 -0.380 1
1 859 . 20 1 1 A 75 75 VAL C C 75 177.376 175.735 1.641 1
1 860 . 20 1 1 A 75 75 VAL CA C 75 63.895 61.705 2.190 1
1 861 . 20 1 1 A 75 75 VAL CB C 75 32.450 32.747 -0.297 1
1 864 . 20 1 1 A 75 75 VAL N N 75 119.018 120.731 -1.713 1
1 865 . 20 1 1 A 76 76 LEU H H 76 8.074 8.786 -0.712 1
1 866 . 20 1 1 A 76 76 LEU HA H 76 4.291 4.819 -0.528 1
1 876 . 20 1 1 A 76 76 LEU C C 76 178.363 174.462 3.901 1
1 877 . 20 1 1 A 76 76 LEU CA C 76 56.247 53.685 2.562 1
1 878 . 20 1 1 A 76 76 LEU CB C 76 42.342 45.182 -2.840 1
1 882 . 20 1 1 A 76 76 LEU N N 76 124.324 124.470 -0.146 1
1 883 . 20 1 1 A 77 77 ASP H H 77 8.443 8.832 -0.389 1
1 884 . 20 1 1 A 77 77 ASP HA H 77 4.593 5.460 -0.867 1
1 887 . 20 1 1 A 77 77 ASP C C 77 177.224 175.105 2.119 1
1 888 . 20 1 1 A 77 77 ASP CA C 77 55.364 52.273 3.091 1
1 889 . 20 1 1 A 77 77 ASP CB C 77 40.970 42.340 -1.370 1
1 890 . 20 1 1 A 77 77 ASP N N 77 120.595 119.116 1.479 1
1 891 . 20 1 1 A 78 78 SER H H 78 8.121 8.860 -0.739 1
1 892 . 20 1 1 A 78 78 SER HA H 78 4.421 5.427 -1.006 1
1 894 . 20 1 1 A 78 78 SER C C 78 175.244 173.333 1.911 1
1 895 . 20 1 1 A 78 78 SER CA C 78 58.809 55.987 2.822 1
1 896 . 20 1 1 A 78 78 SER CB C 78 63.674 65.135 -1.461 1
1 897 . 20 1 1 A 78 78 SER N N 78 115.700 118.084 -2.384 1
1 898 . 20 1 1 A 79 79 MET H H 79 8.202 8.914 -0.712 1
1 899 . 20 1 1 A 79 79 MET HA H 79 4.525 4.588 -0.063 1
1 903 . 20 1 1 A 79 79 MET C C 79 177.199 176.806 0.393 1
1 904 . 20 1 1 A 79 79 MET CA C 79 56.010 54.796 1.214 1
1 905 . 20 1 1 A 79 79 MET CB C 79 32.610 33.064 -0.454 1
1 907 . 20 1 1 A 79 79 MET N N 79 121.204 122.164 -0.960 1
1 908 . 20 1 1 A 80 80 GLY H H 80 8.268 8.947 -0.679 1
1 909 . 20 1 1 A 80 80 GLY C C 80 174.529 172.728 1.801 1
1 910 . 20 1 1 A 80 80 GLY CA C 80 45.637 46.500 -0.863 1
1 911 . 20 1 1 A 80 80 GLY N N 80 109.108 109.652 -0.544 1
1 912 . 20 1 1 A 81 81 SER HA H 81 4.478 5.313 -0.835 1
1 915 . 20 1 1 A 81 81 SER C C 81 175.336 173.059 2.277 1
1 916 . 20 1 1 A 81 81 SER CA C 81 58.701 56.580 2.121 1
1 917 . 20 1 1 A 81 81 SER CB C 81 63.977 65.918 -1.941 1
1 918 . 20 1 1 A 82 82 GLY H H 82 8.526 8.338 0.188 1
1 919 . 20 1 1 A 82 82 GLY HA2 H 82 4.018 4.225 -0.207 1
1 920 . 20 1 1 A 82 82 GLY HA3 H 82 4.018 4.241 -0.223 1
1 921 . 20 1 1 A 82 82 GLY C C 82 174.290 171.644 2.646 1
1 922 . 20 1 1 A 82 82 GLY CA C 82 45.485 45.827 -0.342 1
1 923 . 20 1 1 A 82 82 GLY N N 82 110.928 111.244 -0.316 1
1 924 . 20 1 1 A 83 83 LYS H H 83 8.159 8.597 -0.438 1
1 925 . 20 1 1 A 83 83 LYS C C 83 176.692 176.090 0.602 1
1 926 . 20 1 1 A 83 83 LYS CA C 83 56.216 54.652 1.564 1
1 927 . 20 1 1 A 83 83 LYS CB C 83 33.201 36.291 -3.090 1
1 928 . 20 1 1 A 83 83 LYS N N 83 120.759 120.049 0.710 1
1 929 . 20 1 1 A 88 88 SER HA H 88 4.509 5.342 -0.833 1
1 932 . 20 1 1 A 88 88 SER C C 88 173.946 173.784 0.162 1
1 933 . 20 1 1 A 88 88 SER CA C 88 58.432 56.286 2.146 1
1 934 . 20 1 1 A 88 88 SER CB C 88 64.208 66.135 -1.927 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 78 1.348 1
2 1 1 1 "RMS(OBS, PRED)" CA 78 1.190 1
3 1 1 1 "RMS(OBS, PRED)" CB 74 1.436 1
4 1 1 1 "RMS(OBS, PRED)" H 71 0.375 1
5 1 1 1 "RMS(OBS, PRED)" HA 79 0.377 1
6 1 1 1 "RMS(OBS, PRED)" N 71 2.975 1
7 1 2 1 "RMS(OBS, PRED)" C 78 1.034 1
8 1 2 1 "RMS(OBS, PRED)" CA 78 1.248 1
9 1 2 1 "RMS(OBS, PRED)" CB 74 1.313 1
10 1 2 1 "RMS(OBS, PRED)" H 71 0.399 1
11 1 2 1 "RMS(OBS, PRED)" HA 79 0.302 1
12 1 2 1 "RMS(OBS, PRED)" N 71 2.622 1
13 1 3 1 "RMS(OBS, PRED)" C 78 1.100 1
14 1 3 1 "RMS(OBS, PRED)" CA 78 1.161 1
15 1 3 1 "RMS(OBS, PRED)" CB 74 1.367 1
16 1 3 1 "RMS(OBS, PRED)" H 71 0.410 1
17 1 3 1 "RMS(OBS, PRED)" HA 79 0.333 1
18 1 3 1 "RMS(OBS, PRED)" N 71 2.849 1
19 1 4 1 "RMS(OBS, PRED)" C 78 1.278 1
20 1 4 1 "RMS(OBS, PRED)" CA 78 1.425 1
21 1 4 1 "RMS(OBS, PRED)" CB 74 1.425 1
22 1 4 1 "RMS(OBS, PRED)" H 71 0.405 1
23 1 4 1 "RMS(OBS, PRED)" HA 79 0.389 1
24 1 4 1 "RMS(OBS, PRED)" N 71 2.770 1
25 1 5 1 "RMS(OBS, PRED)" C 78 1.334 1
26 1 5 1 "RMS(OBS, PRED)" CA 78 1.349 1
27 1 5 1 "RMS(OBS, PRED)" CB 74 1.413 1
28 1 5 1 "RMS(OBS, PRED)" H 71 0.443 1
29 1 5 1 "RMS(OBS, PRED)" HA 79 0.336 1
30 1 5 1 "RMS(OBS, PRED)" N 71 3.005 1
31 1 6 1 "RMS(OBS, PRED)" C 78 1.236 1
32 1 6 1 "RMS(OBS, PRED)" CA 78 1.176 1
33 1 6 1 "RMS(OBS, PRED)" CB 74 1.477 1
34 1 6 1 "RMS(OBS, PRED)" H 71 0.385 1
35 1 6 1 "RMS(OBS, PRED)" HA 79 0.329 1
36 1 6 1 "RMS(OBS, PRED)" N 71 2.499 1
37 1 7 1 "RMS(OBS, PRED)" C 78 1.164 1
38 1 7 1 "RMS(OBS, PRED)" CA 78 1.243 1
39 1 7 1 "RMS(OBS, PRED)" CB 74 1.472 1
40 1 7 1 "RMS(OBS, PRED)" H 71 0.414 1
41 1 7 1 "RMS(OBS, PRED)" HA 79 0.362 1
42 1 7 1 "RMS(OBS, PRED)" N 71 3.108 1
43 1 8 1 "RMS(OBS, PRED)" C 78 1.215 1
44 1 8 1 "RMS(OBS, PRED)" CA 78 1.259 1
45 1 8 1 "RMS(OBS, PRED)" CB 74 1.148 1
46 1 8 1 "RMS(OBS, PRED)" H 71 0.412 1
47 1 8 1 "RMS(OBS, PRED)" HA 79 0.309 1
48 1 8 1 "RMS(OBS, PRED)" N 71 2.907 1
49 1 9 1 "RMS(OBS, PRED)" C 78 1.266 1
50 1 9 1 "RMS(OBS, PRED)" CA 78 1.391 1
51 1 9 1 "RMS(OBS, PRED)" CB 74 1.494 1
52 1 9 1 "RMS(OBS, PRED)" H 71 0.447 1
53 1 9 1 "RMS(OBS, PRED)" HA 79 0.402 1
54 1 9 1 "RMS(OBS, PRED)" N 71 2.794 1
55 1 10 1 "RMS(OBS, PRED)" C 78 1.246 1
56 1 10 1 "RMS(OBS, PRED)" CA 78 1.416 1
57 1 10 1 "RMS(OBS, PRED)" CB 74 1.498 1
58 1 10 1 "RMS(OBS, PRED)" H 71 0.485 1
59 1 10 1 "RMS(OBS, PRED)" HA 79 0.346 1
60 1 10 1 "RMS(OBS, PRED)" N 71 3.039 1
61 1 11 1 "RMS(OBS, PRED)" C 78 1.108 1
62 1 11 1 "RMS(OBS, PRED)" CA 78 1.208 1
63 1 11 1 "RMS(OBS, PRED)" CB 74 1.183 1
64 1 11 1 "RMS(OBS, PRED)" H 71 0.411 1
65 1 11 1 "RMS(OBS, PRED)" HA 79 0.317 1
66 1 11 1 "RMS(OBS, PRED)" N 71 2.701 1
67 1 12 1 "RMS(OBS, PRED)" C 78 1.141 1
68 1 12 1 "RMS(OBS, PRED)" CA 78 1.290 1
69 1 12 1 "RMS(OBS, PRED)" CB 74 1.527 1
70 1 12 1 "RMS(OBS, PRED)" H 71 0.410 1
71 1 12 1 "RMS(OBS, PRED)" HA 79 0.355 1
72 1 12 1 "RMS(OBS, PRED)" N 71 2.802 1
73 1 13 1 "RMS(OBS, PRED)" C 78 1.109 1
74 1 13 1 "RMS(OBS, PRED)" CA 78 1.565 1
75 1 13 1 "RMS(OBS, PRED)" CB 74 1.499 1
76 1 13 1 "RMS(OBS, PRED)" H 71 0.368 1
77 1 13 1 "RMS(OBS, PRED)" HA 79 0.377 1
78 1 13 1 "RMS(OBS, PRED)" N 71 2.626 1
79 1 14 1 "RMS(OBS, PRED)" C 78 1.177 1
80 1 14 1 "RMS(OBS, PRED)" CA 78 1.170 1
81 1 14 1 "RMS(OBS, PRED)" CB 74 1.455 1
82 1 14 1 "RMS(OBS, PRED)" H 71 0.455 1
83 1 14 1 "RMS(OBS, PRED)" HA 79 0.313 1
84 1 14 1 "RMS(OBS, PRED)" N 71 2.711 1
85 1 15 1 "RMS(OBS, PRED)" C 78 1.221 1
86 1 15 1 "RMS(OBS, PRED)" CA 78 1.341 1
87 1 15 1 "RMS(OBS, PRED)" CB 74 1.442 1
88 1 15 1 "RMS(OBS, PRED)" H 71 0.431 1
89 1 15 1 "RMS(OBS, PRED)" HA 79 0.322 1
90 1 15 1 "RMS(OBS, PRED)" N 71 2.832 1
91 1 16 1 "RMS(OBS, PRED)" C 78 1.173 1
92 1 16 1 "RMS(OBS, PRED)" CA 78 1.361 1
93 1 16 1 "RMS(OBS, PRED)" CB 74 1.279 1
94 1 16 1 "RMS(OBS, PRED)" H 71 0.460 1
95 1 16 1 "RMS(OBS, PRED)" HA 79 0.302 1
96 1 16 1 "RMS(OBS, PRED)" N 71 2.809 1
97 1 17 1 "RMS(OBS, PRED)" C 78 1.278 1
98 1 17 1 "RMS(OBS, PRED)" CA 78 1.266 1
99 1 17 1 "RMS(OBS, PRED)" CB 74 1.423 1
100 1 17 1 "RMS(OBS, PRED)" H 71 0.400 1
101 1 17 1 "RMS(OBS, PRED)" HA 79 0.346 1
102 1 17 1 "RMS(OBS, PRED)" N 71 3.083 1
103 1 18 1 "RMS(OBS, PRED)" C 78 1.250 1
104 1 18 1 "RMS(OBS, PRED)" CA 78 1.285 1
105 1 18 1 "RMS(OBS, PRED)" CB 74 1.097 1
106 1 18 1 "RMS(OBS, PRED)" H 71 0.457 1
107 1 18 1 "RMS(OBS, PRED)" HA 79 0.330 1
108 1 18 1 "RMS(OBS, PRED)" N 71 2.862 1
109 1 19 1 "RMS(OBS, PRED)" C 78 1.298 1
110 1 19 1 "RMS(OBS, PRED)" CA 78 1.414 1
111 1 19 1 "RMS(OBS, PRED)" CB 74 1.351 1
112 1 19 1 "RMS(OBS, PRED)" H 71 0.407 1
113 1 19 1 "RMS(OBS, PRED)" HA 79 0.322 1
114 1 19 1 "RMS(OBS, PRED)" N 71 2.994 1
115 1 20 1 "RMS(OBS, PRED)" C 78 1.297 1
116 1 20 1 "RMS(OBS, PRED)" CA 78 1.411 1
117 1 20 1 "RMS(OBS, PRED)" CB 74 1.577 1
118 1 20 1 "RMS(OBS, PRED)" H 71 0.467 1
119 1 20 1 "RMS(OBS, PRED)" HA 79 0.428 1
120 1 20 1 "RMS(OBS, PRED)" N 71 2.743 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY HA2 H 7 3.940 4.144 -0.204 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.940 4.164 -0.224 2
1 3 . 1 1 A 7 7 GLY C C 7 173.532 172.469 1.063 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.255 44.993 0.262 2
1 5 . 1 1 A 8 8 ALA H H 8 8.010 8.449 -0.439 2
1 6 . 1 1 A 8 8 ALA HA H 8 4.259 4.901 -0.642 2
1 10 . 1 1 A 8 8 ALA C C 8 176.987 176.043 0.944 2
1 11 . 1 1 A 8 8 ALA CA C 8 52.334 51.192 1.142 2
1 12 . 1 1 A 8 8 ALA CB C 8 19.389 21.442 -2.053 2
1 13 . 1 1 A 8 8 ALA N N 8 123.317 124.034 -0.717 2
1 14 . 1 1 A 9 9 TYR H H 9 8.110 8.601 -0.491 2
1 15 . 1 1 A 9 9 TYR HA H 9 4.832 4.890 -0.058 2
1 22 . 1 1 A 9 9 TYR C C 9 174.112 174.353 -0.241 2
1 23 . 1 1 A 9 9 TYR CA C 9 55.642 56.698 -1.056 2
1 24 . 1 1 A 9 9 TYR CB C 9 38.292 39.921 -1.629 2
1 29 . 1 1 A 9 9 TYR N N 9 120.065 119.237 0.828 2
1 30 . 1 1 A 10 10 PRO HA H 10 4.377 4.582 -0.205 2
1 36 . 1 1 A 10 10 PRO C C 10 176.388 175.629 0.759 2
1 37 . 1 1 A 10 10 PRO CA C 10 63.332 62.980 0.352 2
1 38 . 1 1 A 10 10 PRO CB C 10 31.985 32.028 -0.043 2
1 41 . 1 1 A 11 11 ASP H H 11 8.249 8.431 -0.182 2
1 42 . 1 1 A 11 11 ASP HA H 11 4.537 5.106 -0.569 2
1 45 . 1 1 A 11 11 ASP C C 11 175.893 174.960 0.933 2
1 46 . 1 1 A 11 11 ASP CA C 11 54.410 53.274 1.136 2
1 47 . 1 1 A 11 11 ASP CB C 11 41.149 43.533 -2.384 2
1 48 . 1 1 A 11 11 ASP N N 11 119.884 119.932 -0.048 2
1 49 . 1 1 A 12 12 PHE H H 12 8.028 8.782 -0.754 2
1 50 . 1 1 A 12 12 PHE HA H 12 4.616 5.068 -0.452 2
1 55 . 1 1 A 12 12 PHE C C 12 175.001 174.720 0.281 2
1 56 . 1 1 A 12 12 PHE CA C 12 57.417 56.880 0.537 2
1 57 . 1 1 A 12 12 PHE CB C 12 39.577 41.242 -1.665 2
1 60 . 1 1 A 12 12 PHE N N 12 119.972 121.415 -1.443 2
1 61 . 1 1 A 13 13 ALA H H 13 8.118 8.441 -0.323 2
1 62 . 1 1 A 13 13 ALA HA H 13 4.570 4.553 0.017 2
1 66 . 1 1 A 13 13 ALA C C 13 175.002 175.597 -0.595 2
1 67 . 1 1 A 13 13 ALA CA C 13 50.500 50.022 0.478 2
1 68 . 1 1 A 13 13 ALA CB C 13 18.532 20.212 -1.680 2
1 69 . 1 1 A 13 13 ALA N N 13 126.968 125.503 1.465 2
1 70 . 1 1 A 14 14 PRO HA H 14 4.349 4.535 -0.186 2
1 76 . 1 1 A 14 14 PRO C C 14 177.054 176.081 0.973 2
1 77 . 1 1 A 14 14 PRO CA C 14 63.380 62.915 0.465 2
1 78 . 1 1 A 14 14 PRO CB C 14 31.960 32.581 -0.621 2
1 81 . 1 1 A 15 15 GLN H H 15 8.411 8.280 0.131 2
1 82 . 1 1 A 15 15 GLN HA H 15 4.221 4.671 -0.450 2
1 88 . 1 1 A 15 15 GLN C C 15 175.815 175.087 0.728 2
1 89 . 1 1 A 15 15 GLN CA C 15 55.929 55.033 0.896 2
1 90 . 1 1 A 15 15 GLN CB C 15 29.270 30.814 -1.544 2
1 92 . 1 1 A 15 15 GLN N N 15 120.172 118.935 1.237 2
1 94 . 1 1 A 16 16 LYS H H 16 8.171 8.568 -0.397 2
1 95 . 1 1 A 16 16 LYS HA H 16 4.234 4.615 -0.381 2
1 102 . 1 1 A 16 16 LYS C C 16 176.196 175.821 0.374 2
1 103 . 1 1 A 16 16 LYS CA C 16 56.236 55.542 0.694 2
1 104 . 1 1 A 16 16 LYS CB C 16 33.171 34.674 -1.503 2
1 108 . 1 1 A 16 16 LYS N N 16 122.238 122.189 0.049 2
1 109 . 1 1 A 17 17 PHE H H 17 8.257 8.649 -0.392 2
1 110 . 1 1 A 17 17 PHE HA H 17 4.715 4.851 -0.136 2
1 117 . 1 1 A 17 17 PHE C C 17 175.737 175.075 0.662 2
1 118 . 1 1 A 17 17 PHE CA C 17 57.341 57.599 -0.258 2
1 119 . 1 1 A 17 17 PHE CB C 17 39.776 40.699 -0.923 2
1 124 . 1 1 A 17 17 PHE N N 17 121.572 120.750 0.822 2
1 125 . 1 1 A 18 18 LYS H H 18 8.411 8.560 -0.149 2
1 126 . 1 1 A 18 18 LYS HA H 18 4.285 4.691 -0.406 2
1 132 . 1 1 A 18 18 LYS C C 18 176.317 175.827 0.490 2
1 133 . 1 1 A 18 18 LYS CA C 18 56.146 55.337 0.809 2
1 134 . 1 1 A 18 18 LYS CB C 18 33.269 34.702 -1.433 2
1 138 . 1 1 A 18 18 LYS N N 18 123.072 122.325 0.747 2
1 139 . 1 1 A 19 19 GLU H H 19 8.494 8.519 -0.025 2
1 140 . 1 1 A 19 19 GLU HA H 19 4.243 4.633 -0.390 2
1 144 . 1 1 A 19 19 GLU C C 19 176.811 175.783 1.028 2
1 145 . 1 1 A 19 19 GLU CA C 19 56.916 55.863 1.053 2
1 146 . 1 1 A 19 19 GLU CB C 19 30.158 31.187 -1.029 2
1 148 . 1 1 A 19 19 GLU N N 19 123.032 121.832 1.200 2
1 149 . 1 1 A 20 20 LYS H H 20 8.530 8.466 0.064 2
1 150 . 1 1 A 20 20 LYS HA H 20 4.560 4.728 -0.168 2
1 159 . 1 1 A 20 20 LYS C C 20 177.491 176.120 1.371 2
1 160 . 1 1 A 20 20 LYS CA C 20 56.105 55.458 0.647 2
1 161 . 1 1 A 20 20 LYS CB C 20 34.248 34.567 -0.319 2
1 165 . 1 1 A 20 20 LYS N N 20 123.545 122.897 0.648 2
1 166 . 1 1 A 21 21 THR H H 21 8.868 8.563 0.305 2
1 167 . 1 1 A 21 21 THR HA H 21 4.448 4.629 -0.181 2
1 172 . 1 1 A 21 21 THR C C 21 175.491 175.791 -0.299 2
1 173 . 1 1 A 21 21 THR CA C 21 60.686 61.086 -0.400 2
1 174 . 1 1 A 21 21 THR CB C 21 70.760 70.493 0.267 2
1 176 . 1 1 A 21 21 THR N N 21 113.437 115.846 -2.409 2
1 177 . 1 1 A 22 22 GLN H H 22 8.993 8.991 0.002 2
1 178 . 1 1 A 22 22 GLN HA H 22 4.055 3.985 0.070 2
1 183 . 1 1 A 22 22 GLN C C 22 178.882 178.727 0.155 2
1 184 . 1 1 A 22 22 GLN CA C 22 58.899 58.813 0.086 2
1 185 . 1 1 A 22 22 GLN CB C 22 28.366 28.426 -0.060 2
1 187 . 1 1 A 22 22 GLN N N 22 120.458 124.106 -3.648 2
1 188 . 1 1 A 23 23 GLY H H 23 8.580 8.441 0.139 2
1 189 . 1 1 A 23 23 GLY HA2 H 23 3.843 3.746 0.097 2
1 190 . 1 1 A 23 23 GLY HA3 H 23 3.843 3.747 0.096 2
1 191 . 1 1 A 23 23 GLY C C 23 176.518 175.868 0.650 2
1 192 . 1 1 A 23 23 GLY CA C 23 46.750 47.304 -0.554 2
1 193 . 1 1 A 23 23 GLY N N 23 107.047 108.975 -1.928 2
1 194 . 1 1 A 24 24 GLN H H 24 7.771 7.832 -0.061 2
1 195 . 1 1 A 24 24 GLN HA H 24 3.844 3.935 -0.091 2
1 202 . 1 1 A 24 24 GLN C C 24 177.564 178.351 -0.787 2
1 203 . 1 1 A 24 24 GLN CA C 24 59.397 58.743 0.654 2
1 204 . 1 1 A 24 24 GLN CB C 24 29.250 28.431 0.819 2
1 206 . 1 1 A 24 24 GLN N N 24 120.555 121.019 -0.464 2
1 208 . 1 1 A 25 25 VAL H H 25 8.029 7.956 0.073 2
1 209 . 1 1 A 25 25 VAL HA H 25 3.163 3.325 -0.162 2
1 217 . 1 1 A 25 25 VAL C C 25 176.630 177.811 -1.181 2
1 218 . 1 1 A 25 25 VAL CA C 25 66.856 66.858 -0.002 2
1 219 . 1 1 A 25 25 VAL CB C 25 31.543 31.433 0.110 2
1 222 . 1 1 A 25 25 VAL N N 25 117.187 120.265 -3.078 2
1 223 . 1 1 A 26 26 LYS H H 26 7.924 8.308 -0.384 2
1 224 . 1 1 A 26 26 LYS HA H 26 3.995 3.950 0.045 2
1 230 . 1 1 A 26 26 LYS C C 26 178.199 178.787 -0.588 2
1 231 . 1 1 A 26 26 LYS CA C 26 59.506 59.887 -0.381 2
1 232 . 1 1 A 26 26 LYS CB C 26 32.209 32.191 0.018 2
1 236 . 1 1 A 26 26 LYS N N 26 119.341 119.871 -0.530 2
1 237 . 1 1 A 27 27 ILE H H 27 7.033 7.797 -0.764 2
1 238 . 1 1 A 27 27 ILE HA H 27 3.706 3.648 0.058 2
1 248 . 1 1 A 27 27 ILE C C 27 179.280 178.742 0.538 2
1 249 . 1 1 A 27 27 ILE CA C 27 64.803 65.130 -0.327 2
1 250 . 1 1 A 27 27 ILE CB C 27 38.361 37.405 0.956 2
1 254 . 1 1 A 27 27 ILE N N 27 117.901 120.269 -2.368 2
1 255 . 1 1 A 28 28 LEU H H 28 7.400 7.673 -0.273 2
1 256 . 1 1 A 28 28 LEU HA H 28 3.563 3.900 -0.337 2
1 266 . 1 1 A 28 28 LEU C C 28 177.369 178.613 -1.244 2
1 267 . 1 1 A 28 28 LEU CA C 28 58.256 57.902 0.354 2
1 268 . 1 1 A 28 28 LEU CB C 28 37.957 40.818 -2.861 2
1 272 . 1 1 A 28 28 LEU N N 28 121.290 120.212 1.078 2
1 273 . 1 1 A 29 29 GLU H H 29 8.880 8.580 0.300 2
1 274 . 1 1 A 29 29 GLU HA H 29 4.327 4.128 0.199 2
1 278 . 1 1 A 29 29 GLU C C 29 179.216 178.835 0.381 2
1 279 . 1 1 A 29 29 GLU CA C 29 59.430 59.920 -0.490 2
1 280 . 1 1 A 29 29 GLU CB C 29 29.276 29.363 -0.087 2
1 282 . 1 1 A 29 29 GLU N N 29 120.487 117.454 3.033 2
1 283 . 1 1 A 30 30 ASP H H 30 8.313 8.198 0.115 2
1 284 . 1 1 A 30 30 ASP HA H 30 4.422 4.402 0.020 2
1 287 . 1 1 A 30 30 ASP C C 30 179.036 178.491 0.545 2
1 288 . 1 1 A 30 30 ASP CA C 30 57.388 57.630 -0.242 2
1 289 . 1 1 A 30 30 ASP CB C 30 40.547 41.903 -1.356 2
1 290 . 1 1 A 30 30 ASP N N 30 118.471 120.256 -1.785 2
1 291 . 1 1 A 31 31 SER H H 31 7.406 8.007 -0.601 2
1 292 . 1 1 A 31 31 SER HA H 31 4.290 4.244 0.046 2
1 295 . 1 1 A 31 31 SER C C 31 177.290 176.546 0.744 2
1 296 . 1 1 A 31 31 SER CA C 31 61.575 61.904 -0.329 2
1 297 . 1 1 A 31 31 SER CB C 31 63.167 63.163 0.004 2
1 298 . 1 1 A 31 31 SER N N 31 113.187 115.452 -2.265 2
1 299 . 1 1 A 32 32 PHE H H 32 9.117 8.375 0.742 2
1 300 . 1 1 A 32 32 PHE HA H 32 4.369 4.353 0.016 2
1 308 . 1 1 A 32 32 PHE C C 32 176.545 177.262 -0.717 2
1 309 . 1 1 A 32 32 PHE CA C 32 61.569 61.643 -0.074 2
1 310 . 1 1 A 32 32 PHE CB C 32 39.362 39.117 0.245 2
1 316 . 1 1 A 32 32 PHE N N 32 121.840 122.725 -0.885 2
1 317 . 1 1 A 33 33 LEU H H 33 8.235 8.875 -0.640 2
1 318 . 1 1 A 33 33 LEU HA H 33 3.965 3.995 -0.030 2
1 328 . 1 1 A 33 33 LEU C C 33 179.575 179.312 0.263 2
1 329 . 1 1 A 33 33 LEU CA C 33 56.998 58.286 -1.288 2
1 330 . 1 1 A 33 33 LEU CB C 33 42.053 41.841 0.212 2
1 334 . 1 1 A 33 33 LEU N N 33 115.363 120.059 -4.697 2
1 335 . 1 1 A 34 34 LYS H H 34 7.509 7.740 -0.231 2
1 336 . 1 1 A 34 34 LYS HA H 34 4.174 4.213 -0.039 2
1 343 . 1 1 A 34 34 LYS C C 34 178.190 176.657 1.533 2
1 344 . 1 1 A 34 34 LYS CA C 34 58.819 58.335 0.484 2
1 345 . 1 1 A 34 34 LYS CB C 34 32.352 32.928 -0.576 2
1 349 . 1 1 A 34 34 LYS N N 34 119.688 117.253 2.435 2
1 350 . 1 1 A 35 35 SER H H 35 8.130 8.031 0.099 2
1 351 . 1 1 A 35 35 SER HA H 35 4.379 4.697 -0.318 2
1 354 . 1 1 A 35 35 SER C C 35 174.000 174.218 -0.218 2
1 355 . 1 1 A 35 35 SER CA C 35 58.202 57.291 0.911 2
1 356 . 1 1 A 35 35 SER CB C 35 64.375 64.817 -0.442 2
1 357 . 1 1 A 35 35 SER N N 35 112.275 114.184 -1.909 2
1 358 . 1 1 A 36 36 SER H H 36 8.404 8.622 -0.218 2
1 359 . 1 1 A 36 36 SER HA H 36 3.952 2.949 1.003 2
1 362 . 1 1 A 36 36 SER C C 36 172.467 174.728 -2.261 2
1 363 . 1 1 A 36 36 SER CA C 36 59.127 61.669 -2.542 2
1 364 . 1 1 A 36 36 SER CB C 36 63.788 62.471 1.317 2
1 365 . 1 1 A 36 36 SER N N 36 121.307 121.125 0.182 2
1 366 . 1 1 A 37 37 PHE H H 37 7.735 8.002 -0.267 2
1 367 . 1 1 A 37 37 PHE HA H 37 4.859 5.024 -0.165 2
1 375 . 1 1 A 37 37 PHE C C 37 172.549 173.910 -1.361 2
1 376 . 1 1 A 37 37 PHE CA C 37 55.604 55.173 0.430 2
1 377 . 1 1 A 37 37 PHE CB C 37 39.842 39.076 0.766 2
1 383 . 1 1 A 37 37 PHE N N 37 118.373 119.363 -0.990 2
1 384 . 1 1 A 38 38 PRO HA H 38 4.391 4.700 -0.309 2
1 391 . 1 1 A 38 38 PRO C C 38 177.660 175.767 1.893 2
1 392 . 1 1 A 38 38 PRO CA C 38 62.193 62.488 -0.295 2
1 393 . 1 1 A 38 38 PRO CB C 38 31.490 32.805 -1.315 2
1 396 . 1 1 A 39 39 THR H H 39 7.809 8.402 -0.593 2
1 397 . 1 1 A 39 39 THR HA H 39 4.322 4.789 -0.467 2
1 402 . 1 1 A 39 39 THR C C 39 174.966 175.304 -0.338 2
1 403 . 1 1 A 39 39 THR CA C 39 60.648 59.931 0.717 2
1 404 . 1 1 A 39 39 THR CB C 39 71.192 70.994 0.198 2
1 406 . 1 1 A 39 39 THR N N 39 111.373 115.791 -4.419 2
1 407 . 1 1 A 40 40 GLN H H 40 8.880 9.040 -0.160 2
1 408 . 1 1 A 40 40 GLN HA H 40 3.907 3.952 -0.045 2
1 414 . 1 1 A 40 40 GLN C C 40 177.855 177.986 -0.131 2
1 415 . 1 1 A 40 40 GLN CA C 40 59.243 59.579 -0.336 2
1 416 . 1 1 A 40 40 GLN CB C 40 28.107 28.466 -0.360 2
1 418 . 1 1 A 40 40 GLN N N 40 120.143 125.927 -5.784 2
1 420 . 1 1 A 41 41 ALA H H 41 8.286 8.050 0.236 2
1 421 . 1 1 A 41 41 ALA HA H 41 4.212 4.059 0.153 2
1 425 . 1 1 A 41 41 ALA C C 41 180.741 179.202 1.539 2
1 426 . 1 1 A 41 41 ALA CA C 41 55.009 55.246 -0.237 2
1 427 . 1 1 A 41 41 ALA CB C 41 18.111 18.350 -0.239 2
1 428 . 1 1 A 41 41 ALA N N 41 119.773 122.252 -2.479 2
1 429 . 1 1 A 42 42 GLU H H 42 7.772 8.261 -0.489 2
1 430 . 1 1 A 42 42 GLU HA H 42 4.673 4.000 0.673 2
1 435 . 1 1 A 42 42 GLU C C 42 178.478 178.665 -0.187 2
1 436 . 1 1 A 42 42 GLU CA C 42 57.730 59.684 -1.954 2
1 437 . 1 1 A 42 42 GLU CB C 42 28.610 29.522 -0.912 2
1 439 . 1 1 A 42 42 GLU N N 42 122.141 118.447 3.694 2
1 440 . 1 1 A 43 43 LEU H H 43 8.472 8.175 0.297 2
1 441 . 1 1 A 43 43 LEU HA H 43 3.924 3.844 0.080 2
1 451 . 1 1 A 43 43 LEU C C 43 179.842 178.559 1.283 2
1 452 . 1 1 A 43 43 LEU CA C 43 58.828 57.729 1.099 2
1 453 . 1 1 A 43 43 LEU CB C 43 41.540 41.545 -0.005 2
1 457 . 1 1 A 43 43 LEU N N 43 121.542 120.574 0.968 2
1 458 . 1 1 A 44 44 ASP H H 44 8.384 8.163 0.221 2
1 459 . 1 1 A 44 44 ASP HA H 44 4.447 4.257 0.190 2
1 462 . 1 1 A 44 44 ASP C C 44 178.428 178.789 -0.361 2
1 463 . 1 1 A 44 44 ASP CA C 44 57.812 57.499 0.313 2
1 464 . 1 1 A 44 44 ASP CB C 44 40.226 40.972 -0.746 2
1 465 . 1 1 A 44 44 ASP N N 44 119.756 118.408 1.348 2
1 466 . 1 1 A 45 45 ARG H H 45 7.979 8.021 -0.042 2
1 467 . 1 1 A 45 45 ARG HA H 45 4.058 4.142 -0.084 2
1 475 . 1 1 A 45 45 ARG C C 45 179.249 178.758 0.491 2
1 476 . 1 1 A 45 45 ARG CA C 45 59.629 58.390 1.239 2
1 477 . 1 1 A 45 45 ARG CB C 45 30.553 29.769 0.784 2
1 480 . 1 1 A 45 45 ARG N N 45 123.029 119.997 3.032 2
1 482 . 1 1 A 46 46 LEU H H 46 8.943 8.328 0.615 2
1 483 . 1 1 A 46 46 LEU HA H 46 3.922 3.997 -0.075 2
1 493 . 1 1 A 46 46 LEU C C 46 180.973 178.973 2.000 2
1 494 . 1 1 A 46 46 LEU CA C 46 57.885 57.821 0.064 2
1 495 . 1 1 A 46 46 LEU CB C 46 42.943 41.353 1.590 2
1 499 . 1 1 A 46 46 LEU N N 46 118.282 119.747 -1.465 2
1 500 . 1 1 A 47 47 ARG H H 47 8.421 8.511 -0.090 2
1 501 . 1 1 A 47 47 ARG HA H 47 4.050 3.965 0.085 2
1 508 . 1 1 A 47 47 ARG C C 47 178.760 178.504 0.256 2
1 509 . 1 1 A 47 47 ARG CA C 47 60.366 59.332 1.034 2
1 510 . 1 1 A 47 47 ARG CB C 47 29.957 29.985 -0.028 2
1 513 . 1 1 A 47 47 ARG N N 47 125.416 117.716 7.700 2
1 514 . 1 1 A 48 48 VAL H H 48 7.626 7.800 -0.174 2
1 515 . 1 1 A 48 48 VAL HA H 48 3.700 3.719 -0.019 2
1 523 . 1 1 A 48 48 VAL C C 48 178.628 177.671 0.957 2
1 524 . 1 1 A 48 48 VAL CA C 48 66.325 65.047 1.278 2
1 525 . 1 1 A 48 48 VAL CB C 48 31.902 31.242 0.660 2
1 528 . 1 1 A 48 48 VAL N N 48 119.769 119.670 0.099 2
1 529 . 1 1 A 49 49 GLU H H 49 8.419 8.507 -0.088 2
1 530 . 1 1 A 49 49 GLU HA H 49 4.202 3.996 0.206 2
1 534 . 1 1 A 49 49 GLU C C 49 178.866 178.788 0.078 2
1 535 . 1 1 A 49 49 GLU CA C 49 59.062 59.365 -0.303 2
1 536 . 1 1 A 49 49 GLU CB C 49 30.950 29.434 1.516 2
1 538 . 1 1 A 49 49 GLU N N 49 116.074 121.431 -5.357 2
1 539 . 1 1 A 50 50 THR H H 50 8.436 8.144 0.292 2
1 540 . 1 1 A 50 50 THR HA H 50 4.335 4.259 0.076 2
1 545 . 1 1 A 50 50 THR C C 50 175.412 174.288 1.124 2
1 546 . 1 1 A 50 50 THR CA C 50 63.447 62.393 1.054 2
1 547 . 1 1 A 50 50 THR CB C 50 71.702 69.411 2.291 2
1 549 . 1 1 A 50 50 THR N N 50 105.198 110.327 -5.129 2
1 550 . 1 1 A 51 51 LYS H H 51 7.745 7.896 -0.151 2
1 551 . 1 1 A 51 51 LYS HA H 51 4.032 3.800 0.232 2
1 559 . 1 1 A 51 51 LYS C C 51 175.949 174.667 1.282 2
1 560 . 1 1 A 51 51 LYS CA C 51 58.428 57.328 1.100 2
1 561 . 1 1 A 51 51 LYS CB C 51 29.225 29.236 -0.011 2
1 565 . 1 1 A 51 51 LYS N N 51 114.904 116.846 -1.942 2
1 566 . 1 1 A 52 52 LEU H H 52 7.679 7.823 -0.144 2
1 567 . 1 1 A 52 52 LEU HA H 52 4.519 4.923 -0.404 2
1 577 . 1 1 A 52 52 LEU C C 52 176.301 175.808 0.493 2
1 578 . 1 1 A 52 52 LEU CA C 52 53.820 53.111 0.709 2
1 579 . 1 1 A 52 52 LEU CB C 52 43.987 45.420 -1.433 2
1 583 . 1 1 A 52 52 LEU N N 52 120.156 118.758 1.398 2
1 584 . 1 1 A 53 53 SER H H 53 8.599 8.714 -0.115 2
1 585 . 1 1 A 53 53 SER HA H 53 4.454 4.684 -0.230 2
1 588 . 1 1 A 53 53 SER C C 53 175.265 175.615 -0.350 2
1 589 . 1 1 A 53 53 SER CA C 53 57.586 57.147 0.439 2
1 590 . 1 1 A 53 53 SER CB C 53 65.402 65.159 0.243 2
1 591 . 1 1 A 53 53 SER N N 53 114.483 116.889 -2.406 2
1 592 . 1 1 A 54 54 ARG H H 54 9.030 8.892 0.138 2
1 593 . 1 1 A 54 54 ARG HA H 54 3.925 3.922 0.003 2
1 599 . 1 1 A 54 54 ARG C C 54 178.621 178.394 0.227 2
1 600 . 1 1 A 54 54 ARG CA C 54 59.660 59.910 -0.250 2
1 601 . 1 1 A 54 54 ARG CB C 54 29.594 30.025 -0.431 2
1 604 . 1 1 A 54 54 ARG N N 54 121.039 124.211 -3.172 2
1 605 . 1 1 A 55 55 ARG H H 55 8.472 8.004 0.468 2
1 606 . 1 1 A 55 55 ARG HA H 55 4.253 4.044 0.209 2
1 611 . 1 1 A 55 55 ARG C C 55 179.367 178.795 0.572 2
1 612 . 1 1 A 55 55 ARG CA C 55 59.387 59.443 -0.056 2
1 613 . 1 1 A 55 55 ARG CB C 55 30.068 29.993 0.075 2
1 616 . 1 1 A 55 55 ARG N N 55 117.655 119.304 -1.649 2
1 617 . 1 1 A 56 56 GLU H H 56 7.849 8.201 -0.352 2
1 618 . 1 1 A 56 56 GLU HA H 56 3.909 4.046 -0.137 2
1 622 . 1 1 A 56 56 GLU C C 56 179.885 179.354 0.531 2
1 623 . 1 1 A 56 56 GLU CA C 56 59.421 59.313 0.108 2
1 624 . 1 1 A 56 56 GLU CB C 56 30.907 29.381 1.526 2
1 626 . 1 1 A 56 56 GLU N N 56 119.916 118.803 1.113 2
1 627 . 1 1 A 57 57 ILE H H 57 8.254 7.891 0.363 2
1 628 . 1 1 A 57 57 ILE HA H 57 3.732 3.761 -0.030 2
1 638 . 1 1 A 57 57 ILE C C 57 177.586 177.762 -0.176 2
1 639 . 1 1 A 57 57 ILE CA C 57 66.553 65.622 0.931 2
1 640 . 1 1 A 57 57 ILE CB C 57 38.596 37.809 0.787 2
1 644 . 1 1 A 57 57 ILE N N 57 122.354 120.871 1.483 2
1 645 . 1 1 A 58 58 ASP H H 58 8.899 8.447 0.452 2
1 646 . 1 1 A 58 58 ASP HA H 58 4.621 4.299 0.322 2
1 649 . 1 1 A 58 58 ASP C C 58 180.161 178.484 1.677 2
1 650 . 1 1 A 58 58 ASP CA C 58 58.114 57.546 0.568 2
1 651 . 1 1 A 58 58 ASP CB C 58 40.817 40.804 0.013 2
1 652 . 1 1 A 58 58 ASP N N 58 121.029 121.247 -0.218 2
1 653 . 1 1 A 59 59 SER H H 59 8.321 8.081 0.240 2
1 654 . 1 1 A 59 59 SER HA H 59 4.371 4.226 0.145 2
1 656 . 1 1 A 59 59 SER C C 59 176.017 176.623 -0.606 2
1 657 . 1 1 A 59 59 SER CA C 59 61.870 61.599 0.271 2
1 658 . 1 1 A 59 59 SER CB C 59 63.076 62.837 0.239 2
1 659 . 1 1 A 59 59 SER N N 59 114.708 114.353 0.355 2
1 660 . 1 1 A 60 60 TRP H H 60 8.209 8.034 0.175 2
1 661 . 1 1 A 60 60 TRP HA H 60 4.019 4.384 -0.365 2
1 670 . 1 1 A 60 60 TRP C C 60 179.214 178.484 0.730 2
1 671 . 1 1 A 60 60 TRP CA C 60 62.981 61.337 1.644 2
1 672 . 1 1 A 60 60 TRP CB C 60 28.693 29.986 -1.293 2
1 678 . 1 1 A 60 60 TRP N N 60 123.289 123.997 -0.708 2
1 680 . 1 1 A 61 61 PHE H H 61 8.941 8.650 0.290 2
1 681 . 1 1 A 61 61 PHE HA H 61 3.798 4.165 -0.367 2
1 689 . 1 1 A 61 61 PHE C C 61 178.097 178.116 -0.019 2
1 690 . 1 1 A 61 61 PHE CA C 61 63.866 61.522 2.344 2
1 691 . 1 1 A 61 61 PHE CB C 61 39.642 38.703 0.939 2
1 697 . 1 1 A 61 61 PHE N N 61 118.838 118.157 0.681 2
1 698 . 1 1 A 62 62 SER H H 62 8.179 8.591 -0.412 2
1 699 . 1 1 A 62 62 SER HA H 62 4.134 4.123 0.011 2
1 702 . 1 1 A 62 62 SER C C 62 177.996 176.762 1.234 2
1 703 . 1 1 A 62 62 SER CA C 62 62.064 62.136 -0.072 2
1 704 . 1 1 A 62 62 SER CB C 62 62.890 62.886 0.004 2
1 705 . 1 1 A 62 62 SER N N 62 113.145 115.145 -2.000 2
1 706 . 1 1 A 63 63 GLU H H 63 8.027 7.840 0.187 2
1 707 . 1 1 A 63 63 GLU HA H 63 3.910 4.060 -0.150 2
1 711 . 1 1 A 63 63 GLU C C 63 178.729 178.643 0.086 2
1 712 . 1 1 A 63 63 GLU CA C 63 58.637 59.056 -0.419 2
1 713 . 1 1 A 63 63 GLU CB C 63 29.188 29.460 -0.272 2
1 715 . 1 1 A 63 63 GLU N N 63 120.533 121.302 -0.768 2
1 716 . 1 1 A 64 64 ARG H H 64 8.166 7.824 0.342 2
1 717 . 1 1 A 64 64 ARG HA H 64 3.498 3.482 0.016 2
1 725 . 1 1 A 64 64 ARG C C 64 179.466 178.556 0.910 2
1 726 . 1 1 A 64 64 ARG CA C 64 56.502 58.810 -2.308 2
1 727 . 1 1 A 64 64 ARG CB C 64 28.148 28.960 -0.812 2
1 730 . 1 1 A 64 64 ARG N N 64 122.505 120.087 2.418 2
1 732 . 1 1 A 65 65 ARG H H 65 8.002 7.999 0.003 2
1 733 . 1 1 A 65 65 ARG HA H 65 4.086 4.254 -0.168 2
1 740 . 1 1 A 65 65 ARG C C 65 177.832 178.902 -1.070 2
1 741 . 1 1 A 65 65 ARG CA C 65 60.054 59.692 0.362 2
1 742 . 1 1 A 65 65 ARG CB C 65 31.425 30.155 1.270 2
1 745 . 1 1 A 65 65 ARG N N 65 117.887 118.253 -0.366 2
1 746 . 1 1 A 66 66 LYS H H 66 7.356 7.833 -0.477 2
1 747 . 1 1 A 66 66 LYS HA H 66 4.141 4.037 0.104 2
1 753 . 1 1 A 66 66 LYS C C 66 178.353 179.007 -0.654 2
1 754 . 1 1 A 66 66 LYS CA C 66 58.444 59.052 -0.608 2
1 755 . 1 1 A 66 66 LYS CB C 66 32.288 32.334 -0.046 2
1 759 . 1 1 A 66 66 LYS N N 66 118.479 119.541 -1.062 2
1 760 . 1 1 A 67 67 LEU H H 67 7.604 7.833 -0.229 2
1 761 . 1 1 A 67 67 LEU HA H 67 4.143 3.917 0.226 2
1 771 . 1 1 A 67 67 LEU C C 67 178.510 178.786 -0.275 2
1 772 . 1 1 A 67 67 LEU CA C 67 56.712 57.896 -1.184 2
1 773 . 1 1 A 67 67 LEU CB C 67 41.857 41.480 0.377 2
1 777 . 1 1 A 67 67 LEU N N 67 120.424 119.390 1.034 2
1 778 . 1 1 A 68 68 ARG H H 68 7.914 8.045 -0.131 2
1 779 . 1 1 A 68 68 ARG HA H 68 4.262 3.941 0.321 2
1 786 . 1 1 A 68 68 ARG C C 68 177.396 178.293 -0.897 2
1 787 . 1 1 A 68 68 ARG CA C 68 57.589 59.665 -2.076 2
1 788 . 1 1 A 68 68 ARG CB C 68 30.211 30.032 0.179 2
1 791 . 1 1 A 68 68 ARG N N 68 120.638 119.246 1.392 2
1 792 . 1 1 A 69 69 ASP H H 69 8.337 8.216 0.121 2
1 793 . 1 1 A 69 69 ASP HA H 69 4.592 4.386 0.206 2
1 796 . 1 1 A 69 69 ASP C C 69 176.826 177.093 -0.267 2
1 797 . 1 1 A 69 69 ASP CA C 69 55.527 57.367 -1.840 2
1 798 . 1 1 A 69 69 ASP CB C 69 40.833 41.093 -0.260 2
1 799 . 1 1 A 69 69 ASP N N 69 119.845 119.955 -0.110 2
1 800 . 1 1 A 70 70 SER H H 70 8.002 8.070 -0.068 2
1 801 . 1 1 A 70 70 SER HA H 70 4.473 4.231 0.242 2
1 804 . 1 1 A 70 70 SER C C 70 174.524 174.751 -0.227 2
1 805 . 1 1 A 70 70 SER CA C 70 59.070 59.708 -0.638 2
1 806 . 1 1 A 70 70 SER CB C 70 63.887 62.980 0.907 2
1 807 . 1 1 A 70 70 SER N N 70 114.740 114.036 0.704 2
1 808 . 1 1 A 71 71 MET H H 71 8.117 8.184 -0.067 2
1 809 . 1 1 A 71 71 MET HA H 71 4.559 4.357 0.202 2
1 817 . 1 1 A 71 71 MET C C 71 175.392 176.104 -0.712 2
1 818 . 1 1 A 71 71 MET CA C 71 55.711 56.335 -0.624 2
1 819 . 1 1 A 71 71 MET CB C 71 33.246 32.749 0.497 2
1 822 . 1 1 A 71 71 MET N N 71 121.694 120.557 1.137 2
1 823 . 1 1 A 72 72 GLU HA H 72 4.245 4.410 -0.165 2
1 827 . 1 1 A 72 72 GLU C C 72 177.767 176.329 1.438 2
1 828 . 1 1 A 72 72 GLU CA C 72 57.871 56.479 1.392 2
1 829 . 1 1 A 72 72 GLU CB C 72 29.798 30.677 -0.879 2
1 831 . 1 1 A 73 73 GLN H H 73 8.210 8.429 -0.219 2
1 832 . 1 1 A 73 73 GLN HA H 73 4.177 4.434 -0.257 2
1 836 . 1 1 A 73 73 GLN C C 73 176.422 175.600 0.822 2
1 837 . 1 1 A 73 73 GLN CA C 73 56.899 56.294 0.605 2
1 838 . 1 1 A 73 73 GLN CB C 73 28.852 29.626 -0.774 2
1 840 . 1 1 A 73 73 GLN N N 73 120.076 121.273 -1.197 2
1 841 . 1 1 A 74 74 ALA H H 74 8.099 8.328 -0.229 2
1 842 . 1 1 A 74 74 ALA HA H 74 4.239 4.664 -0.425 2
1 846 . 1 1 A 74 74 ALA C C 74 178.960 176.471 2.489 2
1 847 . 1 1 A 74 74 ALA CA C 74 53.837 51.612 2.225 2
1 848 . 1 1 A 74 74 ALA CB C 74 18.794 21.218 -2.424 2
1 849 . 1 1 A 74 74 ALA N N 74 123.168 125.062 -1.894 2
1 850 . 1 1 A 75 75 VAL H H 75 7.886 8.487 -0.601 2
1 851 . 1 1 A 75 75 VAL HA H 75 3.985 4.445 -0.460 2
1 859 . 1 1 A 75 75 VAL C C 75 177.376 175.054 2.322 2
1 860 . 1 1 A 75 75 VAL CA C 75 63.895 61.403 2.492 2
1 861 . 1 1 A 75 75 VAL CB C 75 32.450 33.384 -0.934 2
1 864 . 1 1 A 75 75 VAL N N 75 119.018 120.171 -1.153 2
1 865 . 1 1 A 76 76 LEU H H 76 8.074 8.620 -0.546 2
1 866 . 1 1 A 76 76 LEU HA H 76 4.291 4.755 -0.464 2
1 876 . 1 1 A 76 76 LEU C C 76 178.363 175.353 3.010 2
1 877 . 1 1 A 76 76 LEU CA C 76 56.247 54.172 2.075 2
1 878 . 1 1 A 76 76 LEU CB C 76 42.342 44.018 -1.676 2
1 882 . 1 1 A 76 76 LEU N N 76 124.324 126.680 -2.356 2
1 883 . 1 1 A 77 77 ASP H H 77 8.443 8.708 -0.265 2
1 884 . 1 1 A 77 77 ASP HA H 77 4.593 4.961 -0.368 2
1 887 . 1 1 A 77 77 ASP C C 77 177.224 175.222 2.002 2
1 888 . 1 1 A 77 77 ASP CA C 77 55.364 53.385 1.979 2
1 889 . 1 1 A 77 77 ASP CB C 77 40.970 42.607 -1.637 2
1 890 . 1 1 A 77 77 ASP N N 77 120.595 124.094 -3.499 2
1 891 . 1 1 A 78 78 SER H H 78 8.121 8.681 -0.560 2
1 892 . 1 1 A 78 78 SER HA H 78 4.421 4.800 -0.379 2
1 894 . 1 1 A 78 78 SER C C 78 175.244 173.773 1.471 2
1 895 . 1 1 A 78 78 SER CA C 78 58.809 57.989 0.820 2
1 896 . 1 1 A 78 78 SER CB C 78 63.674 64.361 -0.687 2
1 897 . 1 1 A 78 78 SER N N 78 115.700 118.093 -2.393 2
1 898 . 1 1 A 79 79 MET H H 79 8.202 8.690 -0.487 2
1 899 . 1 1 A 79 79 MET HA H 79 4.525 4.822 -0.297 2
1 903 . 1 1 A 79 79 MET C C 79 177.199 175.681 1.518 2
1 904 . 1 1 A 79 79 MET CA C 79 56.010 54.855 1.155 2
1 905 . 1 1 A 79 79 MET CB C 79 32.610 34.279 -1.669 2
1 907 . 1 1 A 79 79 MET N N 79 121.204 123.392 -2.188 2
1 908 . 1 1 A 80 80 GLY H H 80 8.268 8.532 -0.264 2
1 909 . 1 1 A 80 80 GLY C C 80 174.529 173.136 1.393 2
1 910 . 1 1 A 80 80 GLY CA C 80 45.637 45.679 -0.042 2
1 911 . 1 1 A 80 80 GLY N N 80 109.108 110.525 -1.417 2
1 912 . 1 1 A 81 81 SER HA H 81 4.478 4.900 -0.422 2
1 915 . 1 1 A 81 81 SER C C 81 175.336 173.793 1.543 2
1 916 . 1 1 A 81 81 SER CA C 81 58.701 57.561 1.140 2
1 917 . 1 1 A 81 81 SER CB C 81 63.977 65.075 -1.098 2
1 918 . 1 1 A 82 82 GLY H H 82 8.526 8.469 0.057 2
1 919 . 1 1 A 82 82 GLY HA2 H 82 4.018 4.103 -0.085 2
1 920 . 1 1 A 82 82 GLY HA3 H 82 4.018 4.105 -0.087 2
1 921 . 1 1 A 82 82 GLY C C 82 174.290 173.041 1.249 2
1 922 . 1 1 A 82 82 GLY CA C 82 45.485 45.225 0.260 2
1 923 . 1 1 A 82 82 GLY N N 82 110.928 111.021 -0.093 2
1 924 . 1 1 A 83 83 LYS H H 83 8.159 8.458 -0.299 2
1 925 . 1 1 A 83 83 LYS C C 83 176.692 175.574 1.118 2
1 926 . 1 1 A 83 83 LYS CA C 83 56.216 55.591 0.625 2
1 927 . 1 1 A 83 83 LYS CB C 83 33.201 34.581 -1.380 2
1 928 . 1 1 A 83 83 LYS N N 83 120.759 122.020 -1.261 2
1 929 . 1 1 A 88 88 SER HA H 88 4.509 4.644 -0.135 2
1 932 . 1 1 A 88 88 SER C C 88 173.946 174.412 -0.466 2
1 933 . 1 1 A 88 88 SER CA C 88 58.432 58.787 -0.355 2
1 934 . 1 1 A 88 88 SER CB C 88 64.208 64.432 -0.224 2
stop_
save_