data_10187_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10187
_Entry.PDB_ID 2YTH
_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 9 9 GLY CA C 9 45.161 44.476 0.685 1
1 2 . 1 1 1 A 9 9 GLY HA2 H 9 3.930 4.247 -0.317 1
1 3 . 1 1 1 A 9 9 GLY C C 9 174.105 174.737 -0.632 1
1 4 . 1 1 1 A 10 10 GLU N N 10 120.165 119.538 0.627 1
1 5 . 1 1 1 A 10 10 GLU H H 10 8.176 8.856 -0.680 1
1 6 . 1 1 1 A 10 10 GLU CA C 10 56.826 57.827 -1.001 1
1 7 . 1 1 1 A 10 10 GLU HA H 10 4.181 4.417 -0.236 1
1 8 . 1 1 1 A 10 10 GLU CB C 10 30.258 30.959 -0.701 1
1 14 . 1 1 1 A 10 10 GLU C C 10 176.388 176.993 -0.605 1
1 15 . 1 1 1 A 11 11 LYS N N 11 121.439 119.230 2.209 1
1 16 . 1 1 1 A 11 11 LYS H H 11 8.315 7.645 0.670 1
1 17 . 1 1 1 A 11 11 LYS CA C 11 53.977 55.040 -1.063 1
1 18 . 1 1 1 A 11 11 LYS HA H 11 4.539 4.439 0.100 1
1 19 . 1 1 1 A 11 11 LYS CB C 11 33.584 31.890 1.694 1
1 31 . 1 1 1 A 11 11 LYS C C 11 174.251 176.467 -2.216 1
1 32 . 1 1 1 A 12 12 PRO CA C 12 63.666 64.851 -1.185 1
1 33 . 1 1 1 A 12 12 PRO HA H 12 4.244 4.294 -0.050 1
1 34 . 1 1 1 A 12 12 PRO CB C 12 32.293 31.653 0.640 1
1 43 . 1 1 1 A 12 12 PRO C C 12 176.348 176.106 0.242 1
1 44 . 1 1 1 A 13 13 PHE N N 13 117.694 117.799 -0.105 1
1 45 . 1 1 1 A 13 13 PHE H H 13 7.752 7.815 -0.063 1
1 46 . 1 1 1 A 13 13 PHE CA C 13 57.418 57.221 0.197 1
1 47 . 1 1 1 A 13 13 PHE HA H 13 4.709 4.769 -0.060 1
1 48 . 1 1 1 A 13 13 PHE CB C 13 39.785 38.600 1.185 1
1 61 . 1 1 1 A 13 13 PHE C C 13 174.405 175.399 -0.994 1
1 62 . 1 1 1 A 14 14 GLN N N 14 124.070 122.773 1.297 1
1 63 . 1 1 1 A 14 14 GLN H H 14 8.923 8.936 -0.013 1
1 64 . 1 1 1 A 14 14 GLN CA C 14 54.279 53.881 0.398 1
1 65 . 1 1 1 A 14 14 GLN HA H 14 5.160 5.413 -0.253 1
1 66 . 1 1 1 A 14 14 GLN CB C 14 32.341 31.994 0.347 1
1 75 . 1 1 1 A 14 14 GLN C C 14 173.888 174.822 -0.934 1
1 76 . 1 1 1 A 15 15 CYS N N 15 117.013 123.505 -6.492 1
1 77 . 1 1 1 A 15 15 CYS H H 15 9.281 9.092 0.189 1
1 78 . 1 1 1 A 15 15 CYS CA C 15 59.545 59.209 0.336 1
1 79 . 1 1 1 A 15 15 CYS HA H 15 4.571 4.671 -0.100 1
1 80 . 1 1 1 A 15 15 CYS CB C 15 29.720 28.882 0.838 1
1 83 . 1 1 1 A 15 15 CYS C C 15 177.248 174.624 2.624 1
1 84 . 1 1 1 A 16 16 GLU N N 16 121.917 123.848 -1.931 1
1 85 . 1 1 1 A 16 16 GLU H H 16 9.724 9.005 0.719 1
1 86 . 1 1 1 A 16 16 GLU CA C 16 58.765 57.224 1.541 1
1 87 . 1 1 1 A 16 16 GLU HA H 16 4.143 4.456 -0.313 1
1 88 . 1 1 1 A 16 16 GLU CB C 16 29.678 31.684 -2.006 1
1 94 . 1 1 1 A 16 16 GLU C C 16 177.332 178.069 -0.737 1
1 95 . 1 1 1 A 17 17 GLU N N 17 125.342 118.536 6.806 1
1 96 . 1 1 1 A 17 17 GLU H H 17 7.948 8.029 -0.081 1
1 97 . 1 1 1 A 17 17 GLU CA C 17 58.478 58.099 0.379 1
1 98 . 1 1 1 A 17 17 GLU HA H 17 4.195 4.141 0.054 1
1 99 . 1 1 1 A 17 17 GLU CB C 17 29.553 29.852 -0.299 1
1 105 . 1 1 1 A 17 17 GLU C C 17 176.702 177.305 -0.603 1
1 106 . 1 1 1 A 18 18 CYS N N 18 120.318 115.238 5.080 1
1 107 . 1 1 1 A 18 18 CYS H H 18 8.582 7.806 0.776 1
1 108 . 1 1 1 A 18 18 CYS CA C 18 58.297 58.555 -0.258 1
1 109 . 1 1 1 A 18 18 CYS HA H 18 5.188 4.662 0.526 1
1 110 . 1 1 1 A 18 18 CYS CB C 18 32.633 29.975 2.658 1
1 113 . 1 1 1 A 18 18 CYS C C 18 176.394 176.046 0.348 1
1 114 . 1 1 1 A 19 19 GLY N N 19 113.672 111.126 2.546 1
1 115 . 1 1 1 A 19 19 GLY H H 19 8.197 8.165 0.032 1
1 116 . 1 1 1 A 19 19 GLY CA C 19 46.144 47.074 -0.930 1
1 117 . 1 1 1 A 19 19 GLY HA2 H 19 4.273 3.923 0.350 1
1 118 . 1 1 1 A 19 19 GLY HA3 H 19 3.815 3.951 -0.136 1
1 119 . 1 1 1 A 19 19 GLY C C 19 174.170 174.965 -0.795 1
1 120 . 1 1 1 A 20 20 LYS N N 20 123.697 119.787 3.910 1
1 121 . 1 1 1 A 20 20 LYS H H 20 8.041 8.169 -0.128 1
1 122 . 1 1 1 A 20 20 LYS CA C 20 58.531 56.188 2.343 1
1 123 . 1 1 1 A 20 20 LYS HA H 20 3.945 4.304 -0.359 1
1 124 . 1 1 1 A 20 20 LYS CB C 20 33.689 34.136 -0.447 1
1 136 . 1 1 1 A 20 20 LYS C C 20 174.434 175.284 -0.850 1
1 137 . 1 1 1 A 21 21 ARG N N 21 119.834 118.898 0.936 1
1 138 . 1 1 1 A 21 21 ARG H H 21 7.850 7.808 0.042 1
1 139 . 1 1 1 A 21 21 ARG CA C 21 54.746 53.941 0.805 1
1 140 . 1 1 1 A 21 21 ARG HA H 21 5.181 5.132 0.049 1
1 141 . 1 1 1 A 21 21 ARG CB C 21 33.630 33.843 -0.213 1
1 150 . 1 1 1 A 21 21 ARG C C 21 175.430 174.079 1.351 1
1 151 . 1 1 1 A 22 22 PHE N N 22 116.396 120.736 -4.340 1
1 152 . 1 1 1 A 22 22 PHE H H 22 8.788 8.330 0.458 1
1 153 . 1 1 1 A 22 22 PHE CA C 22 57.095 56.719 0.376 1
1 154 . 1 1 1 A 22 22 PHE HA H 22 4.895 4.921 -0.026 1
1 155 . 1 1 1 A 22 22 PHE CB C 22 44.347 43.145 1.202 1
1 168 . 1 1 1 A 22 22 PHE C C 22 175.617 175.716 -0.099 1
1 169 . 1 1 1 A 23 23 THR N N 23 112.933 115.161 -2.228 1
1 170 . 1 1 1 A 23 23 THR H H 23 9.631 8.649 0.982 1
1 171 . 1 1 1 A 23 23 THR CA C 23 64.070 65.592 -1.522 1
1 172 . 1 1 1 A 23 23 THR HA H 23 4.522 4.266 0.256 1
1 173 . 1 1 1 A 23 23 THR CB C 23 69.777 68.588 1.189 1
1 179 . 1 1 1 A 23 23 THR C C 23 174.715 174.455 0.260 1
1 180 . 1 1 1 A 24 24 GLN N N 24 115.100 119.522 -4.422 1
1 181 . 1 1 1 A 24 24 GLN H H 24 7.065 7.610 -0.545 1
1 182 . 1 1 1 A 24 24 GLN CA C 24 53.879 54.105 -0.226 1
1 183 . 1 1 1 A 24 24 GLN HA H 24 4.636 4.071 0.565 1
1 184 . 1 1 1 A 24 24 GLN CB C 24 31.873 29.997 1.876 1
1 193 . 1 1 1 A 24 24 GLN C C 24 175.862 176.187 -0.325 1
1 194 . 1 1 1 A 25 25 ASN CA C 25 55.617 55.862 -0.245 1
1 195 . 1 1 1 A 25 25 ASN HA H 25 3.376 4.168 -0.792 1
1 196 . 1 1 1 A 25 25 ASN CB C 25 38.001 37.610 0.391 1
1 202 . 1 1 1 A 26 26 SER CA C 26 60.922 61.681 -0.759 1
1 203 . 1 1 1 A 26 26 SER HA H 26 4.009 3.984 0.025 1
1 204 . 1 1 1 A 26 26 SER CB C 26 61.595 63.175 -1.580 1
1 207 . 1 1 1 A 26 26 SER C C 26 177.198 177.101 0.097 1
1 208 . 1 1 1 A 27 27 HIS N N 27 121.685 118.924 2.761 1
1 209 . 1 1 1 A 27 27 HIS H H 27 6.680 7.941 -1.261 1
1 210 . 1 1 1 A 27 27 HIS CA C 27 56.723 59.327 -2.604 1
1 211 . 1 1 1 A 27 27 HIS HA H 27 4.500 4.247 0.253 1
1 212 . 1 1 1 A 27 27 HIS CB C 27 31.798 29.601 2.197 1
1 219 . 1 1 1 A 27 27 HIS C C 27 178.161 177.365 0.796 1
1 220 . 1 1 1 A 28 28 LEU N N 28 121.741 120.898 0.843 1
1 221 . 1 1 1 A 28 28 LEU H H 28 6.910 8.242 -1.332 1
1 222 . 1 1 1 A 28 28 LEU CA C 28 57.762 58.019 -0.257 1
1 223 . 1 1 1 A 28 28 LEU HA H 28 3.087 3.405 -0.318 1
1 224 . 1 1 1 A 28 28 LEU CB C 28 40.341 41.944 -1.603 1
1 237 . 1 1 1 A 28 28 LEU C C 28 177.649 178.499 -0.850 1
1 238 . 1 1 1 A 29 29 HIS N N 29 118.276 118.269 0.007 1
1 239 . 1 1 1 A 29 29 HIS H H 29 8.195 8.591 -0.396 1
1 240 . 1 1 1 A 29 29 HIS CA C 29 59.210 59.561 -0.351 1
1 241 . 1 1 1 A 29 29 HIS HA H 29 4.387 4.232 0.155 1
1 242 . 1 1 1 A 29 29 HIS CB C 29 29.860 30.019 -0.159 1
1 249 . 1 1 1 A 29 29 HIS C C 29 178.599 177.762 0.837 1
1 250 . 1 1 1 A 30 30 SER N N 30 113.782 115.610 -1.828 1
1 251 . 1 1 1 A 30 30 SER H H 30 7.957 8.120 -0.163 1
1 252 . 1 1 1 A 30 30 SER CA C 30 61.487 62.390 -0.903 1
1 253 . 1 1 1 A 30 30 SER HA H 30 4.135 4.133 0.002 1
1 254 . 1 1 1 A 30 30 SER CB C 30 62.677 63.116 -0.439 1
1 257 . 1 1 1 A 30 30 SER C C 30 176.976 175.620 1.356 1
1 258 . 1 1 1 A 31 31 HIS N N 31 121.068 121.758 -0.690 1
1 259 . 1 1 1 A 31 31 HIS H H 31 7.669 8.084 -0.415 1
1 260 . 1 1 1 A 31 31 HIS CA C 31 58.850 59.707 -0.857 1
1 261 . 1 1 1 A 31 31 HIS HA H 31 4.253 4.001 0.252 1
1 262 . 1 1 1 A 31 31 HIS CB C 31 28.477 29.711 -1.234 1
1 269 . 1 1 1 A 31 31 HIS C C 31 175.956 177.284 -1.328 1
1 270 . 1 1 1 A 32 32 GLN N N 32 115.453 118.160 -2.707 1
1 271 . 1 1 1 A 32 32 GLN H H 32 8.123 8.135 -0.012 1
1 272 . 1 1 1 A 32 32 GLN CA C 32 59.264 58.216 1.048 1
1 273 . 1 1 1 A 32 32 GLN HA H 32 3.659 4.122 -0.463 1
1 274 . 1 1 1 A 32 32 GLN CB C 32 28.152 28.547 -0.395 1
1 283 . 1 1 1 A 32 32 GLN C C 32 177.332 178.495 -1.163 1
1 284 . 1 1 1 A 33 33 ARG N N 33 117.364 119.631 -2.267 1
1 285 . 1 1 1 A 33 33 ARG H H 33 7.077 8.187 -1.110 1
1 286 . 1 1 1 A 33 33 ARG CA C 33 58.389 58.852 -0.463 1
1 287 . 1 1 1 A 33 33 ARG HA H 33 4.131 4.011 0.120 1
1 288 . 1 1 1 A 33 33 ARG CB C 33 29.966 29.866 0.100 1
1 297 . 1 1 1 A 33 33 ARG C C 33 178.497 178.875 -0.378 1
1 298 . 1 1 1 A 34 34 VAL N N 34 116.278 116.758 -0.480 1
1 299 . 1 1 1 A 34 34 VAL H H 34 7.886 7.220 0.666 1
1 300 . 1 1 1 A 34 34 VAL CA C 34 64.069 64.403 -0.334 1
1 301 . 1 1 1 A 34 34 VAL HA H 34 3.900 3.799 0.101 1
1 302 . 1 1 1 A 34 34 VAL CB C 34 31.122 31.145 -0.023 1
1 312 . 1 1 1 A 34 34 VAL C C 34 177.295 176.460 0.835 1
1 313 . 1 1 1 A 35 35 HIS N N 35 117.224 118.871 -1.647 1
1 314 . 1 1 1 A 35 35 HIS H H 35 7.217 7.772 -0.555 1
1 315 . 1 1 1 A 35 35 HIS CA C 35 55.233 55.379 -0.146 1
1 316 . 1 1 1 A 35 35 HIS HA H 35 4.864 4.754 0.110 1
1 317 . 1 1 1 A 35 35 HIS CB C 35 28.692 29.942 -1.250 1
1 324 . 1 1 1 A 35 35 HIS C C 35 175.824 174.855 0.969 1
1 325 . 1 1 1 A 36 36 THR N N 36 111.706 112.952 -1.246 1
1 326 . 1 1 1 A 36 36 THR H H 36 7.770 7.537 0.233 1
1 327 . 1 1 1 A 36 36 THR CA C 36 62.523 62.498 0.025 1
1 328 . 1 1 1 A 36 36 THR HA H 36 4.347 4.047 0.300 1
1 329 . 1 1 1 A 36 36 THR CB C 36 69.863 69.466 0.397 1
1 335 . 1 1 1 A 36 36 THR C C 36 175.637 174.927 0.710 1
1 336 . 1 1 1 A 37 37 GLY N N 37 110.627 110.076 0.551 1
1 337 . 1 1 1 A 37 37 GLY H H 37 8.221 8.895 -0.674 1
1 338 . 1 1 1 A 37 37 GLY CA C 37 45.344 45.562 -0.218 1
1 339 . 1 1 1 A 37 37 GLY HA2 H 37 4.018 3.996 0.022 1
1 340 . 1 1 1 A 37 37 GLY HA3 H 37 3.943 4.001 -0.058 1
1 341 . 1 1 1 A 37 37 GLY C C 37 174.070 174.171 -0.101 1
1 342 . 1 1 1 A 38 38 GLU N N 38 120.538 123.501 -2.963 1
1 343 . 1 1 1 A 38 38 GLU H H 38 8.081 7.873 0.208 1
1 344 . 1 1 1 A 38 38 GLU CA C 38 56.425 56.964 -0.539 1
1 345 . 1 1 1 A 38 38 GLU HA H 38 4.240 4.230 0.010 1
1 346 . 1 1 1 A 38 38 GLU CB C 38 30.510 30.407 0.103 1
1 352 . 1 1 1 A 38 38 GLU C C 38 176.244 175.733 0.511 1
1 353 . 1 1 1 A 39 39 LYS N N 39 123.780 127.975 -4.195 1
1 354 . 1 1 1 A 39 39 LYS H H 39 8.381 8.730 -0.349 1
1 355 . 1 1 1 A 39 39 LYS CA C 39 54.135 52.964 1.171 1
1 356 . 1 1 1 A 39 39 LYS HA H 39 4.593 4.983 -0.390 1
1 357 . 1 1 1 A 39 39 LYS CB C 39 32.496 33.514 -1.018 1
1 369 . 1 1 1 A 39 39 LYS C C 39 174.521 174.278 0.243 1
1 370 . 1 1 1 A 40 40 PRO CA C 40 63.225 62.596 0.629 1
1 371 . 1 1 1 A 40 40 PRO HA H 40 4.452 4.569 -0.117 1
1 372 . 1 1 1 A 40 40 PRO CB C 40 32.181 31.468 0.713 1
1 381 . 1 1 1 A 40 40 PRO C C 40 176.999 177.238 -0.239 1
1 382 . 1 1 1 A 41 41 SER N N 41 116.501 118.999 -2.498 1
1 383 . 1 1 1 A 41 41 SER H H 41 8.466 8.564 -0.098 1
1 384 . 1 1 1 A 41 41 SER CA C 41 58.367 59.864 -1.497 1
1 385 . 1 1 1 A 41 41 SER HA H 41 4.512 4.206 0.306 1
1 386 . 1 1 1 A 41 41 SER CB C 41 63.986 63.144 0.842 1
1 388 . 1 1 1 A 41 41 SER C C 41 174.682 174.388 0.294 1
1 389 . 1 1 1 A 42 42 GLY CA C 42 44.661 44.060 0.601 1
1 390 . 1 1 1 A 42 42 GLY HA2 H 42 4.099 4.153 -0.054 1
1 391 . 1 1 1 A 42 42 GLY HA3 H 42 4.147 4.154 -0.007 1
1 392 . 1 1 1 A 43 43 PRO CA C 43 63.240 62.636 0.604 1
1 393 . 1 1 1 A 43 43 PRO HA H 43 4.463 4.593 -0.130 1
1 394 . 1 1 1 A 43 43 PRO CB C 43 32.179 32.809 -0.630 1
1 403 . 1 1 1 A 45 45 SER CA C 45 58.420 61.675 -3.255 1
1 404 . 1 1 1 A 45 45 SER HA H 45 4.496 4.475 0.021 1
1 405 . 1 1 1 A 45 45 SER CB C 45 63.789 63.417 0.372 1
1 407 . 1 1 1 A 45 45 SER C C 45 173.912 174.250 -0.338 1
1 1 . 2 1 1 A 9 9 GLY CA C 9 45.161 45.460 -0.299 1
1 2 . 2 1 1 A 9 9 GLY HA2 H 9 3.930 4.058 -0.128 1
1 3 . 2 1 1 A 9 9 GLY C C 9 174.105 175.103 -0.998 1
1 4 . 2 1 1 A 10 10 GLU N N 10 120.165 120.799 -0.634 1
1 5 . 2 1 1 A 10 10 GLU H H 10 8.176 8.534 -0.358 1
1 6 . 2 1 1 A 10 10 GLU CA C 10 56.826 59.359 -2.533 1
1 7 . 2 1 1 A 10 10 GLU HA H 10 4.181 4.050 0.131 1
1 8 . 2 1 1 A 10 10 GLU CB C 10 30.258 29.607 0.651 1
1 14 . 2 1 1 A 10 10 GLU C C 10 176.388 177.396 -1.008 1
1 15 . 2 1 1 A 11 11 LYS N N 11 121.439 118.820 2.619 1
1 16 . 2 1 1 A 11 11 LYS H H 11 8.315 7.652 0.663 1
1 17 . 2 1 1 A 11 11 LYS CA C 11 53.977 53.989 -0.012 1
1 18 . 2 1 1 A 11 11 LYS HA H 11 4.539 4.416 0.123 1
1 19 . 2 1 1 A 11 11 LYS CB C 11 33.584 31.749 1.835 1
1 31 . 2 1 1 A 11 11 LYS C C 11 174.251 176.288 -2.037 1
1 32 . 2 1 1 A 12 12 PRO CA C 12 63.666 64.739 -1.073 1
1 33 . 2 1 1 A 12 12 PRO HA H 12 4.244 4.251 -0.007 1
1 34 . 2 1 1 A 12 12 PRO CB C 12 32.293 31.603 0.690 1
1 43 . 2 1 1 A 12 12 PRO C C 12 176.348 176.089 0.259 1
1 44 . 2 1 1 A 13 13 PHE N N 13 117.694 117.592 0.102 1
1 45 . 2 1 1 A 13 13 PHE H H 13 7.752 7.510 0.242 1
1 46 . 2 1 1 A 13 13 PHE CA C 13 57.418 57.149 0.269 1
1 47 . 2 1 1 A 13 13 PHE HA H 13 4.709 4.740 -0.031 1
1 48 . 2 1 1 A 13 13 PHE CB C 13 39.785 38.388 1.397 1
1 61 . 2 1 1 A 13 13 PHE C C 13 174.405 175.638 -1.233 1
1 62 . 2 1 1 A 14 14 GLN N N 14 124.070 122.483 1.587 1
1 63 . 2 1 1 A 14 14 GLN H H 14 8.923 8.597 0.326 1
1 64 . 2 1 1 A 14 14 GLN CA C 14 54.279 53.749 0.530 1
1 65 . 2 1 1 A 14 14 GLN HA H 14 5.160 5.469 -0.309 1
1 66 . 2 1 1 A 14 14 GLN CB C 14 32.341 32.989 -0.648 1
1 75 . 2 1 1 A 14 14 GLN C C 14 173.888 174.920 -1.032 1
1 76 . 2 1 1 A 15 15 CYS N N 15 117.013 121.676 -4.663 1
1 77 . 2 1 1 A 15 15 CYS H H 15 9.281 9.075 0.206 1
1 78 . 2 1 1 A 15 15 CYS CA C 15 59.545 58.768 0.777 1
1 79 . 2 1 1 A 15 15 CYS HA H 15 4.571 4.837 -0.266 1
1 80 . 2 1 1 A 15 15 CYS CB C 15 29.720 29.561 0.159 1
1 83 . 2 1 1 A 15 15 CYS C C 15 177.248 174.533 2.715 1
1 84 . 2 1 1 A 16 16 GLU N N 16 121.917 124.229 -2.312 1
1 85 . 2 1 1 A 16 16 GLU H H 16 9.724 8.959 0.765 1
1 86 . 2 1 1 A 16 16 GLU CA C 16 58.765 57.069 1.696 1
1 87 . 2 1 1 A 16 16 GLU HA H 16 4.143 4.489 -0.346 1
1 88 . 2 1 1 A 16 16 GLU CB C 16 29.678 31.317 -1.639 1
1 94 . 2 1 1 A 16 16 GLU C C 16 177.332 177.847 -0.515 1
1 95 . 2 1 1 A 17 17 GLU N N 17 125.342 118.846 6.496 1
1 96 . 2 1 1 A 17 17 GLU H H 17 7.948 8.233 -0.285 1
1 97 . 2 1 1 A 17 17 GLU CA C 17 58.478 57.406 1.072 1
1 98 . 2 1 1 A 17 17 GLU HA H 17 4.195 4.291 -0.096 1
1 99 . 2 1 1 A 17 17 GLU CB C 17 29.553 30.413 -0.860 1
1 105 . 2 1 1 A 17 17 GLU C C 17 176.702 177.243 -0.541 1
1 106 . 2 1 1 A 18 18 CYS N N 18 120.318 115.213 5.105 1
1 107 . 2 1 1 A 18 18 CYS H H 18 8.582 7.835 0.747 1
1 108 . 2 1 1 A 18 18 CYS CA C 18 58.297 58.594 -0.297 1
1 109 . 2 1 1 A 18 18 CYS HA H 18 5.188 4.651 0.537 1
1 110 . 2 1 1 A 18 18 CYS CB C 18 32.633 29.664 2.969 1
1 113 . 2 1 1 A 18 18 CYS C C 18 176.394 175.845 0.549 1
1 114 . 2 1 1 A 19 19 GLY N N 19 113.672 110.984 2.688 1
1 115 . 2 1 1 A 19 19 GLY H H 19 8.197 8.161 0.036 1
1 116 . 2 1 1 A 19 19 GLY CA C 19 46.144 47.148 -1.004 1
1 117 . 2 1 1 A 19 19 GLY HA2 H 19 4.273 3.925 0.348 1
1 118 . 2 1 1 A 19 19 GLY HA3 H 19 3.815 3.960 -0.145 1
1 119 . 2 1 1 A 19 19 GLY C C 19 174.170 174.738 -0.568 1
1 120 . 2 1 1 A 20 20 LYS N N 20 123.697 119.144 4.553 1
1 121 . 2 1 1 A 20 20 LYS H H 20 8.041 8.139 -0.098 1
1 122 . 2 1 1 A 20 20 LYS CA C 20 58.531 55.637 2.894 1
1 123 . 2 1 1 A 20 20 LYS HA H 20 3.945 4.374 -0.429 1
1 124 . 2 1 1 A 20 20 LYS CB C 20 33.689 33.933 -0.244 1
1 136 . 2 1 1 A 20 20 LYS C C 20 174.434 175.306 -0.872 1
1 137 . 2 1 1 A 21 21 ARG N N 21 119.834 119.168 0.666 1
1 138 . 2 1 1 A 21 21 ARG H H 21 7.850 7.901 -0.051 1
1 139 . 2 1 1 A 21 21 ARG CA C 21 54.746 54.485 0.261 1
1 140 . 2 1 1 A 21 21 ARG HA H 21 5.181 4.894 0.287 1
1 141 . 2 1 1 A 21 21 ARG CB C 21 33.630 32.041 1.589 1
1 150 . 2 1 1 A 21 21 ARG C C 21 175.430 174.754 0.676 1
1 151 . 2 1 1 A 22 22 PHE N N 22 116.396 122.853 -6.457 1
1 152 . 2 1 1 A 22 22 PHE H H 22 8.788 9.171 -0.383 1
1 153 . 2 1 1 A 22 22 PHE CA C 22 57.095 56.818 0.277 1
1 154 . 2 1 1 A 22 22 PHE HA H 22 4.895 4.884 0.011 1
1 155 . 2 1 1 A 22 22 PHE CB C 22 44.347 42.372 1.975 1
1 168 . 2 1 1 A 22 22 PHE C C 22 175.617 176.004 -0.387 1
1 169 . 2 1 1 A 23 23 THR N N 23 112.933 115.686 -2.753 1
1 170 . 2 1 1 A 23 23 THR H H 23 9.631 8.585 1.046 1
1 171 . 2 1 1 A 23 23 THR CA C 23 64.070 64.525 -0.455 1
1 172 . 2 1 1 A 23 23 THR HA H 23 4.522 4.405 0.117 1
1 173 . 2 1 1 A 23 23 THR CB C 23 69.777 69.038 0.739 1
1 179 . 2 1 1 A 23 23 THR C C 23 174.715 173.882 0.833 1
1 180 . 2 1 1 A 24 24 GLN N N 24 115.100 121.059 -5.959 1
1 181 . 2 1 1 A 24 24 GLN H H 24 7.065 7.658 -0.593 1
1 182 . 2 1 1 A 24 24 GLN CA C 24 53.879 54.528 -0.649 1
1 183 . 2 1 1 A 24 24 GLN HA H 24 4.636 4.343 0.293 1
1 184 . 2 1 1 A 24 24 GLN CB C 24 31.873 30.804 1.069 1
1 193 . 2 1 1 A 24 24 GLN C C 24 175.862 176.329 -0.467 1
1 194 . 2 1 1 A 25 25 ASN CA C 25 55.617 55.577 0.040 1
1 195 . 2 1 1 A 25 25 ASN HA H 25 3.376 3.758 -0.382 1
1 196 . 2 1 1 A 25 25 ASN CB C 25 38.001 37.030 0.971 1
1 202 . 2 1 1 A 26 26 SER CA C 26 60.922 61.675 -0.753 1
1 203 . 2 1 1 A 26 26 SER HA H 26 4.009 4.117 -0.108 1
1 204 . 2 1 1 A 26 26 SER CB C 26 61.595 63.112 -1.517 1
1 207 . 2 1 1 A 26 26 SER C C 26 177.198 177.298 -0.100 1
1 208 . 2 1 1 A 27 27 HIS N N 27 121.685 119.192 2.493 1
1 209 . 2 1 1 A 27 27 HIS H H 27 6.680 8.158 -1.478 1
1 210 . 2 1 1 A 27 27 HIS CA C 27 56.723 58.576 -1.853 1
1 211 . 2 1 1 A 27 27 HIS HA H 27 4.500 4.267 0.233 1
1 212 . 2 1 1 A 27 27 HIS CB C 27 31.798 29.430 2.368 1
1 219 . 2 1 1 A 27 27 HIS C C 27 178.161 177.462 0.699 1
1 220 . 2 1 1 A 28 28 LEU N N 28 121.741 120.453 1.288 1
1 221 . 2 1 1 A 28 28 LEU H H 28 6.910 7.473 -0.563 1
1 222 . 2 1 1 A 28 28 LEU CA C 28 57.762 57.527 0.235 1
1 223 . 2 1 1 A 28 28 LEU HA H 28 3.087 3.112 -0.025 1
1 224 . 2 1 1 A 28 28 LEU CB C 28 40.341 41.526 -1.185 1
1 237 . 2 1 1 A 28 28 LEU C C 28 177.649 178.482 -0.833 1
1 238 . 2 1 1 A 29 29 HIS N N 29 118.276 118.295 -0.019 1
1 239 . 2 1 1 A 29 29 HIS H H 29 8.195 8.245 -0.050 1
1 240 . 2 1 1 A 29 29 HIS CA C 29 59.210 59.306 -0.096 1
1 241 . 2 1 1 A 29 29 HIS HA H 29 4.387 4.235 0.152 1
1 242 . 2 1 1 A 29 29 HIS CB C 29 29.860 29.821 0.039 1
1 249 . 2 1 1 A 29 29 HIS C C 29 178.599 177.667 0.932 1
1 250 . 2 1 1 A 30 30 SER N N 30 113.782 114.633 -0.851 1
1 251 . 2 1 1 A 30 30 SER H H 30 7.957 8.082 -0.125 1
1 252 . 2 1 1 A 30 30 SER CA C 30 61.487 61.296 0.191 1
1 253 . 2 1 1 A 30 30 SER HA H 30 4.135 4.124 0.011 1
1 254 . 2 1 1 A 30 30 SER CB C 30 62.677 62.557 0.120 1
1 257 . 2 1 1 A 30 30 SER C C 30 176.976 176.955 0.021 1
1 258 . 2 1 1 A 31 31 HIS N N 31 121.068 121.392 -0.324 1
1 259 . 2 1 1 A 31 31 HIS H H 31 7.669 7.957 -0.288 1
1 260 . 2 1 1 A 31 31 HIS CA C 31 58.850 59.906 -1.056 1
1 261 . 2 1 1 A 31 31 HIS HA H 31 4.253 4.003 0.250 1
1 262 . 2 1 1 A 31 31 HIS CB C 31 28.477 29.883 -1.406 1
1 269 . 2 1 1 A 31 31 HIS C C 31 175.956 177.047 -1.091 1
1 270 . 2 1 1 A 32 32 GLN N N 32 115.453 117.578 -2.125 1
1 271 . 2 1 1 A 32 32 GLN H H 32 8.123 8.297 -0.174 1
1 272 . 2 1 1 A 32 32 GLN CA C 32 59.264 58.884 0.380 1
1 273 . 2 1 1 A 32 32 GLN HA H 32 3.659 3.939 -0.280 1
1 274 . 2 1 1 A 32 32 GLN CB C 32 28.152 28.371 -0.219 1
1 283 . 2 1 1 A 32 32 GLN C C 32 177.332 178.661 -1.329 1
1 284 . 2 1 1 A 33 33 ARG N N 33 117.364 120.176 -2.812 1
1 285 . 2 1 1 A 33 33 ARG H H 33 7.077 8.265 -1.188 1
1 286 . 2 1 1 A 33 33 ARG CA C 33 58.389 58.823 -0.434 1
1 287 . 2 1 1 A 33 33 ARG HA H 33 4.131 4.030 0.101 1
1 288 . 2 1 1 A 33 33 ARG CB C 33 29.966 29.651 0.315 1
1 297 . 2 1 1 A 33 33 ARG C C 33 178.497 178.831 -0.334 1
1 298 . 2 1 1 A 34 34 VAL N N 34 116.278 117.106 -0.828 1
1 299 . 2 1 1 A 34 34 VAL H H 34 7.886 7.694 0.192 1
1 300 . 2 1 1 A 34 34 VAL CA C 34 64.069 64.248 -0.179 1
1 301 . 2 1 1 A 34 34 VAL HA H 34 3.900 3.759 0.141 1
1 302 . 2 1 1 A 34 34 VAL CB C 34 31.122 30.961 0.161 1
1 312 . 2 1 1 A 34 34 VAL C C 34 177.295 176.569 0.726 1
1 313 . 2 1 1 A 35 35 HIS N N 35 117.224 118.726 -1.502 1
1 314 . 2 1 1 A 35 35 HIS H H 35 7.217 7.729 -0.512 1
1 315 . 2 1 1 A 35 35 HIS CA C 35 55.233 56.072 -0.839 1
1 316 . 2 1 1 A 35 35 HIS HA H 35 4.864 4.738 0.126 1
1 317 . 2 1 1 A 35 35 HIS CB C 35 28.692 31.328 -2.636 1
1 324 . 2 1 1 A 35 35 HIS C C 35 175.824 174.963 0.861 1
1 325 . 2 1 1 A 36 36 THR N N 36 111.706 115.232 -3.526 1
1 326 . 2 1 1 A 36 36 THR H H 36 7.770 7.491 0.279 1
1 327 . 2 1 1 A 36 36 THR CA C 36 62.523 63.882 -1.359 1
1 328 . 2 1 1 A 36 36 THR HA H 36 4.347 3.910 0.437 1
1 329 . 2 1 1 A 36 36 THR CB C 36 69.863 68.421 1.442 1
1 335 . 2 1 1 A 36 36 THR C C 36 175.637 175.885 -0.248 1
1 336 . 2 1 1 A 37 37 GLY N N 37 110.627 115.897 -5.270 1
1 337 . 2 1 1 A 37 37 GLY H H 37 8.221 8.954 -0.733 1
1 338 . 2 1 1 A 37 37 GLY CA C 37 45.344 46.998 -1.654 1
1 339 . 2 1 1 A 37 37 GLY HA2 H 37 4.018 3.875 0.143 1
1 340 . 2 1 1 A 37 37 GLY HA3 H 37 3.943 3.880 0.063 1
1 341 . 2 1 1 A 37 37 GLY C C 37 174.070 174.670 -0.600 1
1 342 . 2 1 1 A 38 38 GLU N N 38 120.538 121.100 -0.562 1
1 343 . 2 1 1 A 38 38 GLU H H 38 8.081 8.304 -0.223 1
1 344 . 2 1 1 A 38 38 GLU CA C 38 56.425 55.929 0.496 1
1 345 . 2 1 1 A 38 38 GLU HA H 38 4.240 4.454 -0.214 1
1 346 . 2 1 1 A 38 38 GLU CB C 38 30.510 29.773 0.737 1
1 352 . 2 1 1 A 38 38 GLU C C 38 176.244 177.124 -0.880 1
1 353 . 2 1 1 A 39 39 LYS N N 39 123.780 123.740 0.040 1
1 354 . 2 1 1 A 39 39 LYS H H 39 8.381 9.012 -0.631 1
1 355 . 2 1 1 A 39 39 LYS CA C 39 54.135 57.149 -3.014 1
1 356 . 2 1 1 A 39 39 LYS HA H 39 4.593 3.973 0.620 1
1 357 . 2 1 1 A 39 39 LYS CB C 39 32.496 30.994 1.502 1
1 369 . 2 1 1 A 39 39 LYS C C 39 174.521 176.374 -1.853 1
1 370 . 2 1 1 A 40 40 PRO CA C 40 63.225 62.385 0.840 1
1 371 . 2 1 1 A 40 40 PRO HA H 40 4.452 4.581 -0.129 1
1 372 . 2 1 1 A 40 40 PRO CB C 40 32.181 29.557 2.624 1
1 381 . 2 1 1 A 40 40 PRO C C 40 176.999 176.191 0.808 1
1 382 . 2 1 1 A 41 41 SER N N 41 116.501 119.676 -3.175 1
1 383 . 2 1 1 A 41 41 SER H H 41 8.466 8.447 0.019 1
1 384 . 2 1 1 A 41 41 SER CA C 41 58.367 57.604 0.763 1
1 385 . 2 1 1 A 41 41 SER HA H 41 4.512 4.702 -0.190 1
1 386 . 2 1 1 A 41 41 SER CB C 41 63.986 63.033 0.953 1
1 388 . 2 1 1 A 41 41 SER C C 41 174.682 174.324 0.358 1
1 389 . 2 1 1 A 42 42 GLY CA C 42 44.661 45.666 -1.005 1
1 390 . 2 1 1 A 42 42 GLY HA2 H 42 4.099 4.093 0.006 1
1 391 . 2 1 1 A 42 42 GLY HA3 H 42 4.147 4.093 0.054 1
1 392 . 2 1 1 A 43 43 PRO CA C 43 63.240 63.383 -0.143 1
1 393 . 2 1 1 A 43 43 PRO HA H 43 4.463 4.426 0.037 1
1 394 . 2 1 1 A 43 43 PRO CB C 43 32.179 32.119 0.060 1
1 403 . 2 1 1 A 45 45 SER CA C 45 58.420 58.191 0.229 1
1 404 . 2 1 1 A 45 45 SER HA H 45 4.496 4.599 -0.103 1
1 405 . 2 1 1 A 45 45 SER CB C 45 63.789 64.530 -0.741 1
1 407 . 2 1 1 A 45 45 SER C C 45 173.912 175.305 -1.393 1
1 1 . 3 1 1 A 9 9 GLY CA C 9 45.161 45.482 -0.321 1
1 2 . 3 1 1 A 9 9 GLY HA2 H 9 3.930 4.104 -0.174 1
1 3 . 3 1 1 A 9 9 GLY C C 9 174.105 174.470 -0.365 1
1 4 . 3 1 1 A 10 10 GLU N N 10 120.165 121.187 -1.022 1
1 5 . 3 1 1 A 10 10 GLU H H 10 8.176 8.102 0.074 1
1 6 . 3 1 1 A 10 10 GLU CA C 10 56.826 55.831 0.995 1
1 7 . 3 1 1 A 10 10 GLU HA H 10 4.181 4.537 -0.356 1
1 8 . 3 1 1 A 10 10 GLU CB C 10 30.258 31.018 -0.760 1
1 14 . 3 1 1 A 10 10 GLU C C 10 176.388 175.816 0.572 1
1 15 . 3 1 1 A 11 11 LYS N N 11 121.439 125.726 -4.287 1
1 16 . 3 1 1 A 11 11 LYS H H 11 8.315 8.355 -0.040 1
1 17 . 3 1 1 A 11 11 LYS CA C 11 53.977 52.654 1.323 1
1 18 . 3 1 1 A 11 11 LYS HA H 11 4.539 4.756 -0.217 1
1 19 . 3 1 1 A 11 11 LYS CB C 11 33.584 34.213 -0.629 1
1 31 . 3 1 1 A 11 11 LYS C C 11 174.251 175.619 -1.368 1
1 32 . 3 1 1 A 12 12 PRO CA C 12 63.666 64.836 -1.170 1
1 33 . 3 1 1 A 12 12 PRO HA H 12 4.244 4.162 0.082 1
1 34 . 3 1 1 A 12 12 PRO CB C 12 32.293 31.626 0.667 1
1 43 . 3 1 1 A 12 12 PRO C C 12 176.348 176.194 0.154 1
1 44 . 3 1 1 A 13 13 PHE N N 13 117.694 118.052 -0.358 1
1 45 . 3 1 1 A 13 13 PHE H H 13 7.752 7.312 0.440 1
1 46 . 3 1 1 A 13 13 PHE CA C 13 57.418 58.319 -0.901 1
1 47 . 3 1 1 A 13 13 PHE HA H 13 4.709 4.583 0.126 1
1 48 . 3 1 1 A 13 13 PHE CB C 13 39.785 39.192 0.593 1
1 61 . 3 1 1 A 13 13 PHE C C 13 174.405 176.090 -1.685 1
1 62 . 3 1 1 A 14 14 GLN N N 14 124.070 122.161 1.909 1
1 63 . 3 1 1 A 14 14 GLN H H 14 8.923 8.657 0.266 1
1 64 . 3 1 1 A 14 14 GLN CA C 14 54.279 54.292 -0.013 1
1 65 . 3 1 1 A 14 14 GLN HA H 14 5.160 5.335 -0.175 1
1 66 . 3 1 1 A 14 14 GLN CB C 14 32.341 32.520 -0.179 1
1 75 . 3 1 1 A 14 14 GLN C C 14 173.888 174.551 -0.663 1
1 76 . 3 1 1 A 15 15 CYS N N 15 117.013 123.775 -6.762 1
1 77 . 3 1 1 A 15 15 CYS H H 15 9.281 9.097 0.184 1
1 78 . 3 1 1 A 15 15 CYS CA C 15 59.545 59.277 0.268 1
1 79 . 3 1 1 A 15 15 CYS HA H 15 4.571 4.635 -0.064 1
1 80 . 3 1 1 A 15 15 CYS CB C 15 29.720 28.847 0.873 1
1 83 . 3 1 1 A 15 15 CYS C C 15 177.248 174.606 2.642 1
1 84 . 3 1 1 A 16 16 GLU N N 16 121.917 124.099 -2.182 1
1 85 . 3 1 1 A 16 16 GLU H H 16 9.724 8.942 0.782 1
1 86 . 3 1 1 A 16 16 GLU CA C 16 58.765 57.060 1.705 1
1 87 . 3 1 1 A 16 16 GLU HA H 16 4.143 4.471 -0.328 1
1 88 . 3 1 1 A 16 16 GLU CB C 16 29.678 31.328 -1.650 1
1 94 . 3 1 1 A 16 16 GLU C C 16 177.332 177.994 -0.662 1
1 95 . 3 1 1 A 17 17 GLU N N 17 125.342 117.829 7.513 1
1 96 . 3 1 1 A 17 17 GLU H H 17 7.948 8.050 -0.102 1
1 97 . 3 1 1 A 17 17 GLU CA C 17 58.478 57.056 1.422 1
1 98 . 3 1 1 A 17 17 GLU HA H 17 4.195 4.266 -0.071 1
1 99 . 3 1 1 A 17 17 GLU CB C 17 29.553 30.275 -0.722 1
1 105 . 3 1 1 A 17 17 GLU C C 17 176.702 177.784 -1.082 1
1 106 . 3 1 1 A 18 18 CYS N N 18 120.318 115.498 4.820 1
1 107 . 3 1 1 A 18 18 CYS H H 18 8.582 7.795 0.787 1
1 108 . 3 1 1 A 18 18 CYS CA C 18 58.297 58.574 -0.277 1
1 109 . 3 1 1 A 18 18 CYS HA H 18 5.188 4.645 0.543 1
1 110 . 3 1 1 A 18 18 CYS CB C 18 32.633 29.643 2.990 1
1 113 . 3 1 1 A 18 18 CYS C C 18 176.394 175.768 0.626 1
1 114 . 3 1 1 A 19 19 GLY N N 19 113.672 111.065 2.607 1
1 115 . 3 1 1 A 19 19 GLY H H 19 8.197 8.134 0.063 1
1 116 . 3 1 1 A 19 19 GLY CA C 19 46.144 47.114 -0.970 1
1 117 . 3 1 1 A 19 19 GLY HA2 H 19 4.273 3.921 0.352 1
1 118 . 3 1 1 A 19 19 GLY HA3 H 19 3.815 3.944 -0.129 1
1 119 . 3 1 1 A 19 19 GLY C C 19 174.170 174.549 -0.379 1
1 120 . 3 1 1 A 20 20 LYS N N 20 123.697 119.112 4.585 1
1 121 . 3 1 1 A 20 20 LYS H H 20 8.041 8.193 -0.152 1
1 122 . 3 1 1 A 20 20 LYS CA C 20 58.531 55.371 3.160 1
1 123 . 3 1 1 A 20 20 LYS HA H 20 3.945 4.491 -0.546 1
1 124 . 3 1 1 A 20 20 LYS CB C 20 33.689 33.950 -0.261 1
1 136 . 3 1 1 A 20 20 LYS C C 20 174.434 175.478 -1.044 1
1 137 . 3 1 1 A 21 21 ARG N N 21 119.834 118.675 1.159 1
1 138 . 3 1 1 A 21 21 ARG H H 21 7.850 7.736 0.114 1
1 139 . 3 1 1 A 21 21 ARG CA C 21 54.746 54.137 0.609 1
1 140 . 3 1 1 A 21 21 ARG HA H 21 5.181 5.208 -0.027 1
1 141 . 3 1 1 A 21 21 ARG CB C 21 33.630 33.801 -0.171 1
1 150 . 3 1 1 A 21 21 ARG C C 21 175.430 174.042 1.388 1
1 151 . 3 1 1 A 22 22 PHE N N 22 116.396 120.854 -4.458 1
1 152 . 3 1 1 A 22 22 PHE H H 22 8.788 8.548 0.240 1
1 153 . 3 1 1 A 22 22 PHE CA C 22 57.095 56.887 0.208 1
1 154 . 3 1 1 A 22 22 PHE HA H 22 4.895 4.788 0.107 1
1 155 . 3 1 1 A 22 22 PHE CB C 22 44.347 42.928 1.419 1
1 168 . 3 1 1 A 22 22 PHE C C 22 175.617 175.675 -0.058 1
1 169 . 3 1 1 A 23 23 THR N N 23 112.933 116.291 -3.358 1
1 170 . 3 1 1 A 23 23 THR H H 23 9.631 8.794 0.837 1
1 171 . 3 1 1 A 23 23 THR CA C 23 64.070 64.786 -0.716 1
1 172 . 3 1 1 A 23 23 THR HA H 23 4.522 4.410 0.112 1
1 173 . 3 1 1 A 23 23 THR CB C 23 69.777 69.344 0.433 1
1 179 . 3 1 1 A 23 23 THR C C 23 174.715 175.277 -0.562 1
1 180 . 3 1 1 A 24 24 GLN N N 24 115.100 118.649 -3.549 1
1 181 . 3 1 1 A 24 24 GLN H H 24 7.065 7.887 -0.822 1
1 182 . 3 1 1 A 24 24 GLN CA C 24 53.879 54.302 -0.423 1
1 183 . 3 1 1 A 24 24 GLN HA H 24 4.636 4.635 0.001 1
1 184 . 3 1 1 A 24 24 GLN CB C 24 31.873 30.639 1.234 1
1 193 . 3 1 1 A 24 24 GLN C C 24 175.862 176.225 -0.363 1
1 194 . 3 1 1 A 25 25 ASN CA C 25 55.617 55.327 0.290 1
1 195 . 3 1 1 A 25 25 ASN HA H 25 3.376 3.442 -0.066 1
1 196 . 3 1 1 A 25 25 ASN CB C 25 38.001 36.719 1.282 1
1 202 . 3 1 1 A 26 26 SER CA C 26 60.922 61.735 -0.813 1
1 203 . 3 1 1 A 26 26 SER HA H 26 4.009 3.995 0.014 1
1 204 . 3 1 1 A 26 26 SER CB C 26 61.595 62.996 -1.401 1
1 207 . 3 1 1 A 26 26 SER C C 26 177.198 177.035 0.163 1
1 208 . 3 1 1 A 27 27 HIS N N 27 121.685 121.138 0.547 1
1 209 . 3 1 1 A 27 27 HIS H H 27 6.680 7.840 -1.160 1
1 210 . 3 1 1 A 27 27 HIS CA C 27 56.723 59.764 -3.041 1
1 211 . 3 1 1 A 27 27 HIS HA H 27 4.500 4.056 0.444 1
1 212 . 3 1 1 A 27 27 HIS CB C 27 31.798 29.449 2.349 1
1 219 . 3 1 1 A 27 27 HIS C C 27 178.161 176.240 1.921 1
1 220 . 3 1 1 A 28 28 LEU N N 28 121.741 119.866 1.875 1
1 221 . 3 1 1 A 28 28 LEU H H 28 6.910 7.678 -0.768 1
1 222 . 3 1 1 A 28 28 LEU CA C 28 57.762 57.862 -0.100 1
1 223 . 3 1 1 A 28 28 LEU HA H 28 3.087 3.297 -0.210 1
1 224 . 3 1 1 A 28 28 LEU CB C 28 40.341 41.771 -1.430 1
1 237 . 3 1 1 A 28 28 LEU C C 28 177.649 178.503 -0.854 1
1 238 . 3 1 1 A 29 29 HIS N N 29 118.276 118.200 0.076 1
1 239 . 3 1 1 A 29 29 HIS H H 29 8.195 8.131 0.064 1
1 240 . 3 1 1 A 29 29 HIS CA C 29 59.210 59.602 -0.392 1
1 241 . 3 1 1 A 29 29 HIS HA H 29 4.387 4.189 0.198 1
1 242 . 3 1 1 A 29 29 HIS CB C 29 29.860 30.023 -0.163 1
1 249 . 3 1 1 A 29 29 HIS C C 29 178.599 177.780 0.819 1
1 250 . 3 1 1 A 30 30 SER N N 30 113.782 114.009 -0.227 1
1 251 . 3 1 1 A 30 30 SER H H 30 7.957 8.108 -0.151 1
1 252 . 3 1 1 A 30 30 SER CA C 30 61.487 61.280 0.207 1
1 253 . 3 1 1 A 30 30 SER HA H 30 4.135 4.103 0.032 1
1 254 . 3 1 1 A 30 30 SER CB C 30 62.677 62.699 -0.022 1
1 257 . 3 1 1 A 30 30 SER C C 30 176.976 176.926 0.050 1
1 258 . 3 1 1 A 31 31 HIS N N 31 121.068 121.249 -0.181 1
1 259 . 3 1 1 A 31 31 HIS H H 31 7.669 8.068 -0.399 1
1 260 . 3 1 1 A 31 31 HIS CA C 31 58.850 59.998 -1.148 1
1 261 . 3 1 1 A 31 31 HIS HA H 31 4.253 4.065 0.188 1
1 262 . 3 1 1 A 31 31 HIS CB C 31 28.477 29.709 -1.232 1
1 269 . 3 1 1 A 31 31 HIS C C 31 175.956 177.451 -1.495 1
1 270 . 3 1 1 A 32 32 GLN N N 32 115.453 118.265 -2.812 1
1 271 . 3 1 1 A 32 32 GLN H H 32 8.123 8.329 -0.206 1
1 272 . 3 1 1 A 32 32 GLN CA C 32 59.264 59.083 0.181 1
1 273 . 3 1 1 A 32 32 GLN HA H 32 3.659 3.949 -0.290 1
1 274 . 3 1 1 A 32 32 GLN CB C 32 28.152 28.388 -0.236 1
1 283 . 3 1 1 A 32 32 GLN C C 32 177.332 178.869 -1.537 1
1 284 . 3 1 1 A 33 33 ARG N N 33 117.364 120.288 -2.924 1
1 285 . 3 1 1 A 33 33 ARG H H 33 7.077 8.283 -1.206 1
1 286 . 3 1 1 A 33 33 ARG CA C 33 58.389 58.981 -0.592 1
1 287 . 3 1 1 A 33 33 ARG HA H 33 4.131 3.997 0.134 1
1 288 . 3 1 1 A 33 33 ARG CB C 33 29.966 29.960 0.006 1
1 297 . 3 1 1 A 33 33 ARG C C 33 178.497 178.935 -0.438 1
1 298 . 3 1 1 A 34 34 VAL N N 34 116.278 116.561 -0.283 1
1 299 . 3 1 1 A 34 34 VAL H H 34 7.886 7.492 0.394 1
1 300 . 3 1 1 A 34 34 VAL CA C 34 64.069 65.175 -1.106 1
1 301 . 3 1 1 A 34 34 VAL HA H 34 3.900 3.672 0.228 1
1 302 . 3 1 1 A 34 34 VAL CB C 34 31.122 31.098 0.024 1
1 312 . 3 1 1 A 34 34 VAL C C 34 177.295 176.522 0.773 1
1 313 . 3 1 1 A 35 35 HIS N N 35 117.224 119.370 -2.146 1
1 314 . 3 1 1 A 35 35 HIS H H 35 7.217 7.705 -0.488 1
1 315 . 3 1 1 A 35 35 HIS CA C 35 55.233 55.670 -0.437 1
1 316 . 3 1 1 A 35 35 HIS HA H 35 4.864 4.614 0.250 1
1 317 . 3 1 1 A 35 35 HIS CB C 35 28.692 29.545 -0.853 1
1 324 . 3 1 1 A 35 35 HIS C C 35 175.824 175.851 -0.027 1
1 325 . 3 1 1 A 36 36 THR N N 36 111.706 114.068 -2.362 1
1 326 . 3 1 1 A 36 36 THR H H 36 7.770 8.390 -0.620 1
1 327 . 3 1 1 A 36 36 THR CA C 36 62.523 65.417 -2.894 1
1 328 . 3 1 1 A 36 36 THR HA H 36 4.347 4.052 0.295 1
1 329 . 3 1 1 A 36 36 THR CB C 36 69.863 68.123 1.740 1
1 335 . 3 1 1 A 36 36 THR C C 36 175.637 177.094 -1.457 1
1 336 . 3 1 1 A 37 37 GLY N N 37 110.627 111.377 -0.750 1
1 337 . 3 1 1 A 37 37 GLY H H 37 8.221 8.463 -0.242 1
1 338 . 3 1 1 A 37 37 GLY CA C 37 45.344 47.352 -2.008 1
1 339 . 3 1 1 A 37 37 GLY HA2 H 37 4.018 3.726 0.292 1
1 340 . 3 1 1 A 37 37 GLY HA3 H 37 3.943 3.730 0.213 1
1 341 . 3 1 1 A 37 37 GLY C C 37 174.070 175.593 -1.523 1
1 342 . 3 1 1 A 38 38 GLU N N 38 120.538 119.512 1.026 1
1 343 . 3 1 1 A 38 38 GLU H H 38 8.081 7.938 0.143 1
1 344 . 3 1 1 A 38 38 GLU CA C 38 56.425 57.673 -1.248 1
1 345 . 3 1 1 A 38 38 GLU HA H 38 4.240 4.282 -0.042 1
1 346 . 3 1 1 A 38 38 GLU CB C 38 30.510 30.216 0.294 1
1 352 . 3 1 1 A 38 38 GLU C C 38 176.244 176.216 0.028 1
1 353 . 3 1 1 A 39 39 LYS N N 39 123.780 121.932 1.848 1
1 354 . 3 1 1 A 39 39 LYS H H 39 8.381 8.479 -0.098 1
1 355 . 3 1 1 A 39 39 LYS CA C 39 54.135 53.732 0.403 1
1 356 . 3 1 1 A 39 39 LYS HA H 39 4.593 4.847 -0.254 1
1 357 . 3 1 1 A 39 39 LYS CB C 39 32.496 33.932 -1.436 1
1 369 . 3 1 1 A 39 39 LYS C C 39 174.521 174.588 -0.067 1
1 370 . 3 1 1 A 40 40 PRO CA C 40 63.225 62.731 0.494 1
1 371 . 3 1 1 A 40 40 PRO HA H 40 4.452 4.580 -0.128 1
1 372 . 3 1 1 A 40 40 PRO CB C 40 32.181 31.758 0.423 1
1 381 . 3 1 1 A 40 40 PRO C C 40 176.999 177.111 -0.112 1
1 382 . 3 1 1 A 41 41 SER N N 41 116.501 118.929 -2.428 1
1 383 . 3 1 1 A 41 41 SER H H 41 8.466 8.460 0.006 1
1 384 . 3 1 1 A 41 41 SER CA C 41 58.367 60.362 -1.995 1
1 385 . 3 1 1 A 41 41 SER HA H 41 4.512 4.118 0.394 1
1 386 . 3 1 1 A 41 41 SER CB C 41 63.986 63.066 0.920 1
1 388 . 3 1 1 A 41 41 SER C C 41 174.682 174.939 -0.257 1
1 389 . 3 1 1 A 42 42 GLY CA C 42 44.661 44.308 0.353 1
1 390 . 3 1 1 A 42 42 GLY HA2 H 42 4.099 4.096 0.003 1
1 391 . 3 1 1 A 42 42 GLY HA3 H 42 4.147 4.097 0.050 1
1 392 . 3 1 1 A 43 43 PRO CA C 43 63.240 62.430 0.810 1
1 393 . 3 1 1 A 43 43 PRO HA H 43 4.463 4.569 -0.106 1
1 394 . 3 1 1 A 43 43 PRO CB C 43 32.179 32.610 -0.431 1
1 403 . 3 1 1 A 45 45 SER CA C 45 58.420 62.302 -3.882 1
1 404 . 3 1 1 A 45 45 SER HA H 45 4.496 4.232 0.264 1
1 405 . 3 1 1 A 45 45 SER CB C 45 63.789 63.160 0.629 1
1 407 . 3 1 1 A 45 45 SER C C 45 173.912 174.916 -1.004 1
1 1 . 4 1 1 A 9 9 GLY CA C 9 45.161 44.550 0.611 1
1 2 . 4 1 1 A 9 9 GLY HA2 H 9 3.930 4.033 -0.103 1
1 3 . 4 1 1 A 9 9 GLY C C 9 174.105 174.715 -0.610 1
1 4 . 4 1 1 A 10 10 GLU N N 10 120.165 118.151 2.014 1
1 5 . 4 1 1 A 10 10 GLU H H 10 8.176 8.673 -0.497 1
1 6 . 4 1 1 A 10 10 GLU CA C 10 56.826 57.349 -0.523 1
1 7 . 4 1 1 A 10 10 GLU HA H 10 4.181 4.549 -0.368 1
1 8 . 4 1 1 A 10 10 GLU CB C 10 30.258 31.624 -1.366 1
1 14 . 4 1 1 A 10 10 GLU C C 10 176.388 176.439 -0.051 1
1 15 . 4 1 1 A 11 11 LYS N N 11 121.439 118.126 3.313 1
1 16 . 4 1 1 A 11 11 LYS H H 11 8.315 7.822 0.493 1
1 17 . 4 1 1 A 11 11 LYS CA C 11 53.977 52.802 1.175 1
1 18 . 4 1 1 A 11 11 LYS HA H 11 4.539 4.652 -0.113 1
1 19 . 4 1 1 A 11 11 LYS CB C 11 33.584 33.971 -0.387 1
1 31 . 4 1 1 A 11 11 LYS C C 11 174.251 176.150 -1.899 1
1 32 . 4 1 1 A 12 12 PRO CA C 12 63.666 64.787 -1.121 1
1 33 . 4 1 1 A 12 12 PRO HA H 12 4.244 4.230 0.014 1
1 34 . 4 1 1 A 12 12 PRO CB C 12 32.293 31.507 0.786 1
1 43 . 4 1 1 A 12 12 PRO C C 12 176.348 176.197 0.151 1
1 44 . 4 1 1 A 13 13 PHE N N 13 117.694 117.581 0.113 1
1 45 . 4 1 1 A 13 13 PHE H H 13 7.752 7.584 0.168 1
1 46 . 4 1 1 A 13 13 PHE CA C 13 57.418 57.452 -0.034 1
1 47 . 4 1 1 A 13 13 PHE HA H 13 4.709 4.769 -0.060 1
1 48 . 4 1 1 A 13 13 PHE CB C 13 39.785 39.362 0.423 1
1 61 . 4 1 1 A 13 13 PHE C C 13 174.405 175.879 -1.474 1
1 62 . 4 1 1 A 14 14 GLN N N 14 124.070 121.993 2.077 1
1 63 . 4 1 1 A 14 14 GLN H H 14 8.923 8.760 0.163 1
1 64 . 4 1 1 A 14 14 GLN CA C 14 54.279 53.873 0.406 1
1 65 . 4 1 1 A 14 14 GLN HA H 14 5.160 5.470 -0.310 1
1 66 . 4 1 1 A 14 14 GLN CB C 14 32.341 32.322 0.019 1
1 75 . 4 1 1 A 14 14 GLN C C 14 173.888 174.659 -0.771 1
1 76 . 4 1 1 A 15 15 CYS N N 15 117.013 123.250 -6.237 1
1 77 . 4 1 1 A 15 15 CYS H H 15 9.281 9.207 0.074 1
1 78 . 4 1 1 A 15 15 CYS CA C 15 59.545 59.099 0.446 1
1 79 . 4 1 1 A 15 15 CYS HA H 15 4.571 4.714 -0.143 1
1 80 . 4 1 1 A 15 15 CYS CB C 15 29.720 28.910 0.810 1
1 83 . 4 1 1 A 15 15 CYS C C 15 177.248 174.613 2.635 1
1 84 . 4 1 1 A 16 16 GLU N N 16 121.917 124.085 -2.168 1
1 85 . 4 1 1 A 16 16 GLU H H 16 9.724 8.974 0.750 1
1 86 . 4 1 1 A 16 16 GLU CA C 16 58.765 57.073 1.692 1
1 87 . 4 1 1 A 16 16 GLU HA H 16 4.143 4.484 -0.341 1
1 88 . 4 1 1 A 16 16 GLU CB C 16 29.678 31.197 -1.519 1
1 94 . 4 1 1 A 16 16 GLU C C 16 177.332 178.053 -0.721 1
1 95 . 4 1 1 A 17 17 GLU N N 17 125.342 118.065 7.277 1
1 96 . 4 1 1 A 17 17 GLU H H 17 7.948 8.135 -0.187 1
1 97 . 4 1 1 A 17 17 GLU CA C 17 58.478 57.870 0.608 1
1 98 . 4 1 1 A 17 17 GLU HA H 17 4.195 4.174 0.021 1
1 99 . 4 1 1 A 17 17 GLU CB C 17 29.553 30.366 -0.813 1
1 105 . 4 1 1 A 17 17 GLU C C 17 176.702 177.754 -1.052 1
1 106 . 4 1 1 A 18 18 CYS N N 18 120.318 115.160 5.158 1
1 107 . 4 1 1 A 18 18 CYS H H 18 8.582 7.817 0.765 1
1 108 . 4 1 1 A 18 18 CYS CA C 18 58.297 58.568 -0.271 1
1 109 . 4 1 1 A 18 18 CYS HA H 18 5.188 4.639 0.549 1
1 110 . 4 1 1 A 18 18 CYS CB C 18 32.633 29.625 3.008 1
1 113 . 4 1 1 A 18 18 CYS C C 18 176.394 175.626 0.768 1
1 114 . 4 1 1 A 19 19 GLY N N 19 113.672 110.944 2.728 1
1 115 . 4 1 1 A 19 19 GLY H H 19 8.197 8.136 0.061 1
1 116 . 4 1 1 A 19 19 GLY CA C 19 46.144 47.123 -0.979 1
1 117 . 4 1 1 A 19 19 GLY HA2 H 19 4.273 3.936 0.337 1
1 118 . 4 1 1 A 19 19 GLY HA3 H 19 3.815 3.969 -0.154 1
1 119 . 4 1 1 A 19 19 GLY C C 19 174.170 174.563 -0.393 1
1 120 . 4 1 1 A 20 20 LYS N N 20 123.697 118.906 4.791 1
1 121 . 4 1 1 A 20 20 LYS H H 20 8.041 8.194 -0.153 1
1 122 . 4 1 1 A 20 20 LYS CA C 20 58.531 54.974 3.557 1
1 123 . 4 1 1 A 20 20 LYS HA H 20 3.945 4.636 -0.691 1
1 124 . 4 1 1 A 20 20 LYS CB C 20 33.689 34.199 -0.510 1
1 136 . 4 1 1 A 20 20 LYS C C 20 174.434 175.499 -1.065 1
1 137 . 4 1 1 A 21 21 ARG N N 21 119.834 118.992 0.842 1
1 138 . 4 1 1 A 21 21 ARG H H 21 7.850 7.833 0.017 1
1 139 . 4 1 1 A 21 21 ARG CA C 21 54.746 54.103 0.643 1
1 140 . 4 1 1 A 21 21 ARG HA H 21 5.181 5.065 0.116 1
1 141 . 4 1 1 A 21 21 ARG CB C 21 33.630 33.557 0.073 1
1 150 . 4 1 1 A 21 21 ARG C C 21 175.430 174.382 1.048 1
1 151 . 4 1 1 A 22 22 PHE N N 22 116.396 121.892 -5.496 1
1 152 . 4 1 1 A 22 22 PHE H H 22 8.788 8.358 0.430 1
1 153 . 4 1 1 A 22 22 PHE CA C 22 57.095 56.339 0.756 1
1 154 . 4 1 1 A 22 22 PHE HA H 22 4.895 4.802 0.093 1
1 155 . 4 1 1 A 22 22 PHE CB C 22 44.347 41.007 3.340 1
1 168 . 4 1 1 A 22 22 PHE C C 22 175.617 175.878 -0.261 1
1 169 . 4 1 1 A 23 23 THR N N 23 112.933 116.764 -3.831 1
1 170 . 4 1 1 A 23 23 THR H H 23 9.631 8.634 0.997 1
1 171 . 4 1 1 A 23 23 THR CA C 23 64.070 65.811 -1.741 1
1 172 . 4 1 1 A 23 23 THR HA H 23 4.522 4.143 0.379 1
1 173 . 4 1 1 A 23 23 THR CB C 23 69.777 68.728 1.049 1
1 179 . 4 1 1 A 23 23 THR C C 23 174.715 174.863 -0.148 1
1 180 . 4 1 1 A 24 24 GLN N N 24 115.100 120.265 -5.165 1
1 181 . 4 1 1 A 24 24 GLN H H 24 7.065 8.051 -0.986 1
1 182 . 4 1 1 A 24 24 GLN CA C 24 53.879 54.106 -0.227 1
1 183 . 4 1 1 A 24 24 GLN HA H 24 4.636 4.559 0.077 1
1 184 . 4 1 1 A 24 24 GLN CB C 24 31.873 31.584 0.289 1
1 193 . 4 1 1 A 24 24 GLN C C 24 175.862 175.824 0.038 1
1 194 . 4 1 1 A 25 25 ASN CA C 25 55.617 55.438 0.179 1
1 195 . 4 1 1 A 25 25 ASN HA H 25 3.376 3.855 -0.479 1
1 196 . 4 1 1 A 25 25 ASN CB C 25 38.001 36.839 1.162 1
1 202 . 4 1 1 A 26 26 SER CA C 26 60.922 61.536 -0.614 1
1 203 . 4 1 1 A 26 26 SER HA H 26 4.009 3.865 0.144 1
1 204 . 4 1 1 A 26 26 SER CB C 26 61.595 63.001 -1.406 1
1 207 . 4 1 1 A 26 26 SER C C 26 177.198 176.770 0.428 1
1 208 . 4 1 1 A 27 27 HIS N N 27 121.685 120.839 0.846 1
1 209 . 4 1 1 A 27 27 HIS H H 27 6.680 7.786 -1.106 1
1 210 . 4 1 1 A 27 27 HIS CA C 27 56.723 59.831 -3.108 1
1 211 . 4 1 1 A 27 27 HIS HA H 27 4.500 4.110 0.390 1
1 212 . 4 1 1 A 27 27 HIS CB C 27 31.798 29.540 2.258 1
1 219 . 4 1 1 A 27 27 HIS C C 27 178.161 176.212 1.949 1
1 220 . 4 1 1 A 28 28 LEU N N 28 121.741 119.630 2.111 1
1 221 . 4 1 1 A 28 28 LEU H H 28 6.910 7.990 -1.080 1
1 222 . 4 1 1 A 28 28 LEU CA C 28 57.762 57.888 -0.126 1
1 223 . 4 1 1 A 28 28 LEU HA H 28 3.087 3.301 -0.214 1
1 224 . 4 1 1 A 28 28 LEU CB C 28 40.341 41.606 -1.265 1
1 237 . 4 1 1 A 28 28 LEU C C 28 177.649 178.587 -0.938 1
1 238 . 4 1 1 A 29 29 HIS N N 29 118.276 118.529 -0.253 1
1 239 . 4 1 1 A 29 29 HIS H H 29 8.195 7.940 0.255 1
1 240 . 4 1 1 A 29 29 HIS CA C 29 59.210 59.644 -0.434 1
1 241 . 4 1 1 A 29 29 HIS HA H 29 4.387 4.176 0.211 1
1 242 . 4 1 1 A 29 29 HIS CB C 29 29.860 29.945 -0.085 1
1 249 . 4 1 1 A 29 29 HIS C C 29 178.599 177.690 0.909 1
1 250 . 4 1 1 A 30 30 SER N N 30 113.782 114.134 -0.352 1
1 251 . 4 1 1 A 30 30 SER H H 30 7.957 7.839 0.118 1
1 252 . 4 1 1 A 30 30 SER CA C 30 61.487 61.390 0.097 1
1 253 . 4 1 1 A 30 30 SER HA H 30 4.135 4.107 0.028 1
1 254 . 4 1 1 A 30 30 SER CB C 30 62.677 62.727 -0.050 1
1 257 . 4 1 1 A 30 30 SER C C 30 176.976 176.866 0.110 1
1 258 . 4 1 1 A 31 31 HIS N N 31 121.068 121.463 -0.395 1
1 259 . 4 1 1 A 31 31 HIS H H 31 7.669 8.609 -0.940 1
1 260 . 4 1 1 A 31 31 HIS CA C 31 58.850 60.198 -1.348 1
1 261 . 4 1 1 A 31 31 HIS HA H 31 4.253 4.075 0.178 1
1 262 . 4 1 1 A 31 31 HIS CB C 31 28.477 29.982 -1.505 1
1 269 . 4 1 1 A 31 31 HIS C C 31 175.956 177.110 -1.154 1
1 270 . 4 1 1 A 32 32 GLN N N 32 115.453 118.285 -2.832 1
1 271 . 4 1 1 A 32 32 GLN H H 32 8.123 8.485 -0.362 1
1 272 . 4 1 1 A 32 32 GLN CA C 32 59.264 59.229 0.035 1
1 273 . 4 1 1 A 32 32 GLN HA H 32 3.659 3.901 -0.242 1
1 274 . 4 1 1 A 32 32 GLN CB C 32 28.152 28.535 -0.383 1
1 283 . 4 1 1 A 32 32 GLN C C 32 177.332 178.759 -1.427 1
1 284 . 4 1 1 A 33 33 ARG N N 33 117.364 118.375 -1.011 1
1 285 . 4 1 1 A 33 33 ARG H H 33 7.077 8.176 -1.099 1
1 286 . 4 1 1 A 33 33 ARG CA C 33 58.389 58.242 0.147 1
1 287 . 4 1 1 A 33 33 ARG HA H 33 4.131 4.037 0.094 1
1 288 . 4 1 1 A 33 33 ARG CB C 33 29.966 29.954 0.012 1
1 297 . 4 1 1 A 33 33 ARG C C 33 178.497 178.548 -0.051 1
1 298 . 4 1 1 A 34 34 VAL N N 34 116.278 119.298 -3.020 1
1 299 . 4 1 1 A 34 34 VAL H H 34 7.886 8.040 -0.154 1
1 300 . 4 1 1 A 34 34 VAL CA C 34 64.069 63.934 0.135 1
1 301 . 4 1 1 A 34 34 VAL HA H 34 3.900 3.702 0.198 1
1 302 . 4 1 1 A 34 34 VAL CB C 34 31.122 31.199 -0.077 1
1 312 . 4 1 1 A 34 34 VAL C C 34 177.295 176.506 0.789 1
1 313 . 4 1 1 A 35 35 HIS N N 35 117.224 117.561 -0.337 1
1 314 . 4 1 1 A 35 35 HIS H H 35 7.217 7.836 -0.619 1
1 315 . 4 1 1 A 35 35 HIS CA C 35 55.233 55.429 -0.196 1
1 316 . 4 1 1 A 35 35 HIS HA H 35 4.864 4.808 0.056 1
1 317 . 4 1 1 A 35 35 HIS CB C 35 28.692 30.243 -1.551 1
1 324 . 4 1 1 A 35 35 HIS C C 35 175.824 174.940 0.884 1
1 325 . 4 1 1 A 36 36 THR N N 36 111.706 113.004 -1.298 1
1 326 . 4 1 1 A 36 36 THR H H 36 7.770 7.356 0.414 1
1 327 . 4 1 1 A 36 36 THR CA C 36 62.523 63.193 -0.670 1
1 328 . 4 1 1 A 36 36 THR HA H 36 4.347 4.011 0.336 1
1 329 . 4 1 1 A 36 36 THR CB C 36 69.863 68.534 1.329 1
1 335 . 4 1 1 A 36 36 THR C C 36 175.637 174.500 1.137 1
1 336 . 4 1 1 A 37 37 GLY N N 37 110.627 110.804 -0.177 1
1 337 . 4 1 1 A 37 37 GLY H H 37 8.221 8.370 -0.149 1
1 338 . 4 1 1 A 37 37 GLY CA C 37 45.344 45.964 -0.620 1
1 339 . 4 1 1 A 37 37 GLY HA2 H 37 4.018 4.099 -0.081 1
1 340 . 4 1 1 A 37 37 GLY HA3 H 37 3.943 4.107 -0.164 1
1 341 . 4 1 1 A 37 37 GLY C C 37 174.070 174.367 -0.297 1
1 342 . 4 1 1 A 38 38 GLU N N 38 120.538 122.188 -1.650 1
1 343 . 4 1 1 A 38 38 GLU H H 38 8.081 8.003 0.078 1
1 344 . 4 1 1 A 38 38 GLU CA C 38 56.425 56.515 -0.090 1
1 345 . 4 1 1 A 38 38 GLU HA H 38 4.240 4.286 -0.046 1
1 346 . 4 1 1 A 38 38 GLU CB C 38 30.510 30.255 0.255 1
1 352 . 4 1 1 A 38 38 GLU C C 38 176.244 175.717 0.527 1
1 353 . 4 1 1 A 39 39 LYS N N 39 123.780 123.511 0.269 1
1 354 . 4 1 1 A 39 39 LYS H H 39 8.381 8.938 -0.557 1
1 355 . 4 1 1 A 39 39 LYS CA C 39 54.135 53.341 0.794 1
1 356 . 4 1 1 A 39 39 LYS HA H 39 4.593 5.012 -0.419 1
1 357 . 4 1 1 A 39 39 LYS CB C 39 32.496 35.130 -2.634 1
1 369 . 4 1 1 A 39 39 LYS C C 39 174.521 174.479 0.042 1
1 370 . 4 1 1 A 40 40 PRO CA C 40 63.225 62.859 0.366 1
1 371 . 4 1 1 A 40 40 PRO HA H 40 4.452 4.473 -0.021 1
1 372 . 4 1 1 A 40 40 PRO CB C 40 32.181 31.786 0.395 1
1 381 . 4 1 1 A 40 40 PRO C C 40 176.999 176.505 0.494 1
1 382 . 4 1 1 A 41 41 SER N N 41 116.501 118.198 -1.697 1
1 383 . 4 1 1 A 41 41 SER H H 41 8.466 8.480 -0.014 1
1 384 . 4 1 1 A 41 41 SER CA C 41 58.367 59.299 -0.932 1
1 385 . 4 1 1 A 41 41 SER HA H 41 4.512 4.348 0.164 1
1 386 . 4 1 1 A 41 41 SER CB C 41 63.986 63.013 0.973 1
1 388 . 4 1 1 A 41 41 SER C C 41 174.682 174.946 -0.264 1
1 389 . 4 1 1 A 42 42 GLY CA C 42 44.661 46.147 -1.486 1
1 390 . 4 1 1 A 42 42 GLY HA2 H 42 4.099 4.061 0.038 1
1 391 . 4 1 1 A 42 42 GLY HA3 H 42 4.147 4.061 0.086 1
1 392 . 4 1 1 A 43 43 PRO CA C 43 63.240 62.714 0.526 1
1 393 . 4 1 1 A 43 43 PRO HA H 43 4.463 4.730 -0.267 1
1 394 . 4 1 1 A 43 43 PRO CB C 43 32.179 32.837 -0.658 1
1 403 . 4 1 1 A 45 45 SER CA C 45 58.420 56.726 1.694 1
1 404 . 4 1 1 A 45 45 SER HA H 45 4.496 5.181 -0.685 1
1 405 . 4 1 1 A 45 45 SER CB C 45 63.789 66.626 -2.837 1
1 407 . 4 1 1 A 45 45 SER C C 45 173.912 174.021 -0.109 1
1 1 . 5 1 1 A 9 9 GLY CA C 9 45.161 45.669 -0.508 1
1 2 . 5 1 1 A 9 9 GLY HA2 H 9 3.930 4.078 -0.148 1
1 3 . 5 1 1 A 9 9 GLY C C 9 174.105 172.113 1.992 1
1 4 . 5 1 1 A 10 10 GLU N N 10 120.165 126.432 -6.267 1
1 5 . 5 1 1 A 10 10 GLU H H 10 8.176 8.950 -0.774 1
1 6 . 5 1 1 A 10 10 GLU CA C 10 56.826 55.190 1.636 1
1 7 . 5 1 1 A 10 10 GLU HA H 10 4.181 4.847 -0.666 1
1 8 . 5 1 1 A 10 10 GLU CB C 10 30.258 31.337 -1.079 1
1 14 . 5 1 1 A 10 10 GLU C C 10 176.388 175.551 0.837 1
1 15 . 5 1 1 A 11 11 LYS N N 11 121.439 125.521 -4.082 1
1 16 . 5 1 1 A 11 11 LYS H H 11 8.315 8.787 -0.472 1
1 17 . 5 1 1 A 11 11 LYS CA C 11 53.977 54.130 -0.153 1
1 18 . 5 1 1 A 11 11 LYS HA H 11 4.539 4.500 0.039 1
1 19 . 5 1 1 A 11 11 LYS CB C 11 33.584 31.660 1.924 1
1 31 . 5 1 1 A 11 11 LYS C C 11 174.251 176.486 -2.235 1
1 32 . 5 1 1 A 12 12 PRO CA C 12 63.666 64.787 -1.121 1
1 33 . 5 1 1 A 12 12 PRO HA H 12 4.244 4.272 -0.028 1
1 34 . 5 1 1 A 12 12 PRO CB C 12 32.293 31.595 0.698 1
1 43 . 5 1 1 A 12 12 PRO C C 12 176.348 176.151 0.197 1
1 44 . 5 1 1 A 13 13 PHE N N 13 117.694 117.791 -0.097 1
1 45 . 5 1 1 A 13 13 PHE H H 13 7.752 7.559 0.193 1
1 46 . 5 1 1 A 13 13 PHE CA C 13 57.418 57.584 -0.166 1
1 47 . 5 1 1 A 13 13 PHE HA H 13 4.709 4.732 -0.023 1
1 48 . 5 1 1 A 13 13 PHE CB C 13 39.785 38.679 1.106 1
1 61 . 5 1 1 A 13 13 PHE C C 13 174.405 175.566 -1.161 1
1 62 . 5 1 1 A 14 14 GLN N N 14 124.070 122.839 1.231 1
1 63 . 5 1 1 A 14 14 GLN H H 14 8.923 8.939 -0.016 1
1 64 . 5 1 1 A 14 14 GLN CA C 14 54.279 53.938 0.341 1
1 65 . 5 1 1 A 14 14 GLN HA H 14 5.160 5.431 -0.271 1
1 66 . 5 1 1 A 14 14 GLN CB C 14 32.341 31.717 0.624 1
1 75 . 5 1 1 A 14 14 GLN C C 14 173.888 175.000 -1.112 1
1 76 . 5 1 1 A 15 15 CYS N N 15 117.013 123.089 -6.076 1
1 77 . 5 1 1 A 15 15 CYS H H 15 9.281 9.181 0.100 1
1 78 . 5 1 1 A 15 15 CYS CA C 15 59.545 59.313 0.232 1
1 79 . 5 1 1 A 15 15 CYS HA H 15 4.571 4.700 -0.129 1
1 80 . 5 1 1 A 15 15 CYS CB C 15 29.720 28.871 0.849 1
1 83 . 5 1 1 A 15 15 CYS C C 15 177.248 174.993 2.255 1
1 84 . 5 1 1 A 16 16 GLU N N 16 121.917 124.122 -2.205 1
1 85 . 5 1 1 A 16 16 GLU H H 16 9.724 9.121 0.603 1
1 86 . 5 1 1 A 16 16 GLU CA C 16 58.765 56.462 2.303 1
1 87 . 5 1 1 A 16 16 GLU HA H 16 4.143 4.652 -0.509 1
1 88 . 5 1 1 A 16 16 GLU CB C 16 29.678 31.146 -1.468 1
1 94 . 5 1 1 A 16 16 GLU C C 16 177.332 177.231 0.101 1
1 95 . 5 1 1 A 17 17 GLU N N 17 125.342 116.414 8.928 1
1 96 . 5 1 1 A 17 17 GLU H H 17 7.948 8.133 -0.185 1
1 97 . 5 1 1 A 17 17 GLU CA C 17 58.478 57.746 0.732 1
1 98 . 5 1 1 A 17 17 GLU HA H 17 4.195 4.225 -0.030 1
1 99 . 5 1 1 A 17 17 GLU CB C 17 29.553 30.423 -0.870 1
1 105 . 5 1 1 A 17 17 GLU C C 17 176.702 177.940 -1.238 1
1 106 . 5 1 1 A 18 18 CYS N N 18 120.318 114.939 5.379 1
1 107 . 5 1 1 A 18 18 CYS H H 18 8.582 7.823 0.759 1
1 108 . 5 1 1 A 18 18 CYS CA C 18 58.297 58.562 -0.265 1
1 109 . 5 1 1 A 18 18 CYS HA H 18 5.188 4.651 0.537 1
1 110 . 5 1 1 A 18 18 CYS CB C 18 32.633 29.705 2.928 1
1 113 . 5 1 1 A 18 18 CYS C C 18 176.394 175.614 0.780 1
1 114 . 5 1 1 A 19 19 GLY N N 19 113.672 110.976 2.696 1
1 115 . 5 1 1 A 19 19 GLY H H 19 8.197 8.137 0.060 1
1 116 . 5 1 1 A 19 19 GLY CA C 19 46.144 47.065 -0.921 1
1 117 . 5 1 1 A 19 19 GLY HA2 H 19 4.273 3.947 0.326 1
1 118 . 5 1 1 A 19 19 GLY HA3 H 19 3.815 3.983 -0.168 1
1 119 . 5 1 1 A 19 19 GLY C C 19 174.170 174.521 -0.351 1
1 120 . 5 1 1 A 20 20 LYS N N 20 123.697 118.762 4.935 1
1 121 . 5 1 1 A 20 20 LYS H H 20 8.041 8.177 -0.136 1
1 122 . 5 1 1 A 20 20 LYS CA C 20 58.531 54.710 3.821 1
1 123 . 5 1 1 A 20 20 LYS HA H 20 3.945 4.685 -0.740 1
1 124 . 5 1 1 A 20 20 LYS CB C 20 33.689 34.590 -0.901 1
1 136 . 5 1 1 A 20 20 LYS C C 20 174.434 175.623 -1.189 1
1 137 . 5 1 1 A 21 21 ARG N N 21 119.834 119.125 0.709 1
1 138 . 5 1 1 A 21 21 ARG H H 21 7.850 7.731 0.119 1
1 139 . 5 1 1 A 21 21 ARG CA C 21 54.746 54.301 0.445 1
1 140 . 5 1 1 A 21 21 ARG HA H 21 5.181 4.925 0.256 1
1 141 . 5 1 1 A 21 21 ARG CB C 21 33.630 33.026 0.604 1
1 150 . 5 1 1 A 21 21 ARG C C 21 175.430 174.553 0.877 1
1 151 . 5 1 1 A 22 22 PHE N N 22 116.396 120.430 -4.034 1
1 152 . 5 1 1 A 22 22 PHE H H 22 8.788 8.911 -0.123 1
1 153 . 5 1 1 A 22 22 PHE CA C 22 57.095 56.823 0.272 1
1 154 . 5 1 1 A 22 22 PHE HA H 22 4.895 4.847 0.048 1
1 155 . 5 1 1 A 22 22 PHE CB C 22 44.347 43.289 1.058 1
1 168 . 5 1 1 A 22 22 PHE C C 22 175.617 175.383 0.234 1
1 169 . 5 1 1 A 23 23 THR N N 23 112.933 117.236 -4.303 1
1 170 . 5 1 1 A 23 23 THR H H 23 9.631 8.905 0.726 1
1 171 . 5 1 1 A 23 23 THR CA C 23 64.070 61.323 2.747 1
1 172 . 5 1 1 A 23 23 THR HA H 23 4.522 4.781 -0.259 1
1 173 . 5 1 1 A 23 23 THR CB C 23 69.777 68.484 1.293 1
1 179 . 5 1 1 A 23 23 THR C C 23 174.715 173.302 1.413 1
1 180 . 5 1 1 A 24 24 GLN N N 24 115.100 120.350 -5.250 1
1 181 . 5 1 1 A 24 24 GLN H H 24 7.065 7.652 -0.587 1
1 182 . 5 1 1 A 24 24 GLN CA C 24 53.879 54.493 -0.614 1
1 183 . 5 1 1 A 24 24 GLN HA H 24 4.636 4.467 0.169 1
1 184 . 5 1 1 A 24 24 GLN CB C 24 31.873 30.898 0.975 1
1 193 . 5 1 1 A 24 24 GLN C C 24 175.862 175.053 0.809 1
1 194 . 5 1 1 A 25 25 ASN CA C 25 55.617 55.303 0.314 1
1 195 . 5 1 1 A 25 25 ASN HA H 25 3.376 3.238 0.138 1
1 196 . 5 1 1 A 25 25 ASN CB C 25 38.001 37.108 0.893 1
1 202 . 5 1 1 A 26 26 SER CA C 26 60.922 62.333 -1.411 1
1 203 . 5 1 1 A 26 26 SER HA H 26 4.009 4.130 -0.121 1
1 204 . 5 1 1 A 26 26 SER CB C 26 61.595 62.977 -1.382 1
1 207 . 5 1 1 A 26 26 SER C C 26 177.198 176.594 0.604 1
1 208 . 5 1 1 A 27 27 HIS N N 27 121.685 119.220 2.465 1
1 209 . 5 1 1 A 27 27 HIS H H 27 6.680 8.018 -1.338 1
1 210 . 5 1 1 A 27 27 HIS CA C 27 56.723 58.788 -2.065 1
1 211 . 5 1 1 A 27 27 HIS HA H 27 4.500 4.270 0.230 1
1 212 . 5 1 1 A 27 27 HIS CB C 27 31.798 29.509 2.289 1
1 219 . 5 1 1 A 27 27 HIS C C 27 178.161 177.453 0.708 1
1 220 . 5 1 1 A 28 28 LEU N N 28 121.741 120.786 0.955 1
1 221 . 5 1 1 A 28 28 LEU H H 28 6.910 7.645 -0.735 1
1 222 . 5 1 1 A 28 28 LEU CA C 28 57.762 57.992 -0.230 1
1 223 . 5 1 1 A 28 28 LEU HA H 28 3.087 3.362 -0.275 1
1 224 . 5 1 1 A 28 28 LEU CB C 28 40.341 41.752 -1.411 1
1 237 . 5 1 1 A 28 28 LEU C C 28 177.649 178.434 -0.785 1
1 238 . 5 1 1 A 29 29 HIS N N 29 118.276 118.251 0.025 1
1 239 . 5 1 1 A 29 29 HIS H H 29 8.195 8.329 -0.134 1
1 240 . 5 1 1 A 29 29 HIS CA C 29 59.210 59.314 -0.104 1
1 241 . 5 1 1 A 29 29 HIS HA H 29 4.387 4.256 0.131 1
1 242 . 5 1 1 A 29 29 HIS CB C 29 29.860 29.768 0.092 1
1 249 . 5 1 1 A 29 29 HIS C C 29 178.599 178.285 0.314 1
1 250 . 5 1 1 A 30 30 SER N N 30 113.782 114.961 -1.179 1
1 251 . 5 1 1 A 30 30 SER H H 30 7.957 8.569 -0.612 1
1 252 . 5 1 1 A 30 30 SER CA C 30 61.487 60.912 0.575 1
1 253 . 5 1 1 A 30 30 SER HA H 30 4.135 4.177 -0.042 1
1 254 . 5 1 1 A 30 30 SER CB C 30 62.677 63.109 -0.432 1
1 257 . 5 1 1 A 30 30 SER C C 30 176.976 176.527 0.449 1
1 258 . 5 1 1 A 31 31 HIS N N 31 121.068 121.913 -0.845 1
1 259 . 5 1 1 A 31 31 HIS H H 31 7.669 7.924 -0.255 1
1 260 . 5 1 1 A 31 31 HIS CA C 31 58.850 58.143 0.707 1
1 261 . 5 1 1 A 31 31 HIS HA H 31 4.253 4.152 0.101 1
1 262 . 5 1 1 A 31 31 HIS CB C 31 28.477 30.155 -1.678 1
1 269 . 5 1 1 A 31 31 HIS C C 31 175.956 177.107 -1.151 1
1 270 . 5 1 1 A 32 32 GLN N N 32 115.453 118.542 -3.089 1
1 271 . 5 1 1 A 32 32 GLN H H 32 8.123 8.368 -0.245 1
1 272 . 5 1 1 A 32 32 GLN CA C 32 59.264 59.087 0.177 1
1 273 . 5 1 1 A 32 32 GLN HA H 32 3.659 3.885 -0.226 1
1 274 . 5 1 1 A 32 32 GLN CB C 32 28.152 28.245 -0.093 1
1 283 . 5 1 1 A 32 32 GLN C C 32 177.332 178.587 -1.255 1
1 284 . 5 1 1 A 33 33 ARG N N 33 117.364 119.740 -2.376 1
1 285 . 5 1 1 A 33 33 ARG H H 33 7.077 7.780 -0.703 1
1 286 . 5 1 1 A 33 33 ARG CA C 33 58.389 58.168 0.221 1
1 287 . 5 1 1 A 33 33 ARG HA H 33 4.131 4.041 0.090 1
1 288 . 5 1 1 A 33 33 ARG CB C 33 29.966 30.255 -0.289 1
1 297 . 5 1 1 A 33 33 ARG C C 33 178.497 179.214 -0.717 1
1 298 . 5 1 1 A 34 34 VAL N N 34 116.278 119.527 -3.249 1
1 299 . 5 1 1 A 34 34 VAL H H 34 7.886 7.615 0.271 1
1 300 . 5 1 1 A 34 34 VAL CA C 34 64.069 64.176 -0.107 1
1 301 . 5 1 1 A 34 34 VAL HA H 34 3.900 3.674 0.226 1
1 302 . 5 1 1 A 34 34 VAL CB C 34 31.122 31.071 0.051 1
1 312 . 5 1 1 A 34 34 VAL C C 34 177.295 176.524 0.771 1
1 313 . 5 1 1 A 35 35 HIS N N 35 117.224 117.643 -0.419 1
1 314 . 5 1 1 A 35 35 HIS H H 35 7.217 7.337 -0.120 1
1 315 . 5 1 1 A 35 35 HIS CA C 35 55.233 55.131 0.102 1
1 316 . 5 1 1 A 35 35 HIS HA H 35 4.864 4.765 0.099 1
1 317 . 5 1 1 A 35 35 HIS CB C 35 28.692 29.506 -0.814 1
1 324 . 5 1 1 A 35 35 HIS C C 35 175.824 174.901 0.923 1
1 325 . 5 1 1 A 36 36 THR N N 36 111.706 116.159 -4.453 1
1 326 . 5 1 1 A 36 36 THR H H 36 7.770 7.792 -0.022 1
1 327 . 5 1 1 A 36 36 THR CA C 36 62.523 63.085 -0.562 1
1 328 . 5 1 1 A 36 36 THR HA H 36 4.347 4.197 0.150 1
1 329 . 5 1 1 A 36 36 THR CB C 36 69.863 69.036 0.827 1
1 335 . 5 1 1 A 36 36 THR C C 36 175.637 174.331 1.306 1
1 336 . 5 1 1 A 37 37 GLY N N 37 110.627 113.167 -2.540 1
1 337 . 5 1 1 A 37 37 GLY H H 37 8.221 8.460 -0.239 1
1 338 . 5 1 1 A 37 37 GLY CA C 37 45.344 45.781 -0.437 1
1 339 . 5 1 1 A 37 37 GLY HA2 H 37 4.018 4.121 -0.103 1
1 340 . 5 1 1 A 37 37 GLY HA3 H 37 3.943 4.126 -0.183 1
1 341 . 5 1 1 A 37 37 GLY C C 37 174.070 174.213 -0.143 1
1 342 . 5 1 1 A 38 38 GLU N N 38 120.538 122.072 -1.534 1
1 343 . 5 1 1 A 38 38 GLU H H 38 8.081 7.844 0.237 1
1 344 . 5 1 1 A 38 38 GLU CA C 38 56.425 56.069 0.356 1
1 345 . 5 1 1 A 38 38 GLU HA H 38 4.240 4.388 -0.148 1
1 346 . 5 1 1 A 38 38 GLU CB C 38 30.510 30.271 0.239 1
1 352 . 5 1 1 A 38 38 GLU C C 38 176.244 176.135 0.109 1
1 353 . 5 1 1 A 39 39 LYS N N 39 123.780 123.643 0.137 1
1 354 . 5 1 1 A 39 39 LYS H H 39 8.381 8.468 -0.087 1
1 355 . 5 1 1 A 39 39 LYS CA C 39 54.135 54.047 0.088 1
1 356 . 5 1 1 A 39 39 LYS HA H 39 4.593 4.835 -0.242 1
1 357 . 5 1 1 A 39 39 LYS CB C 39 32.496 33.093 -0.597 1
1 369 . 5 1 1 A 39 39 LYS C C 39 174.521 174.691 -0.170 1
1 370 . 5 1 1 A 40 40 PRO CA C 40 63.225 62.859 0.366 1
1 371 . 5 1 1 A 40 40 PRO HA H 40 4.452 4.465 -0.013 1
1 372 . 5 1 1 A 40 40 PRO CB C 40 32.181 32.152 0.029 1
1 381 . 5 1 1 A 40 40 PRO C C 40 176.999 177.111 -0.112 1
1 382 . 5 1 1 A 41 41 SER N N 41 116.501 114.572 1.929 1
1 383 . 5 1 1 A 41 41 SER H H 41 8.466 8.392 0.074 1
1 384 . 5 1 1 A 41 41 SER CA C 41 58.367 57.192 1.175 1
1 385 . 5 1 1 A 41 41 SER HA H 41 4.512 4.564 -0.052 1
1 386 . 5 1 1 A 41 41 SER CB C 41 63.986 64.180 -0.194 1
1 388 . 5 1 1 A 41 41 SER C C 41 174.682 174.715 -0.033 1
1 389 . 5 1 1 A 42 42 GLY CA C 42 44.661 45.177 -0.516 1
1 390 . 5 1 1 A 42 42 GLY HA2 H 42 4.099 4.006 0.093 1
1 391 . 5 1 1 A 42 42 GLY HA3 H 42 4.147 4.006 0.141 1
1 392 . 5 1 1 A 43 43 PRO CA C 43 63.240 62.651 0.589 1
1 393 . 5 1 1 A 43 43 PRO HA H 43 4.463 4.672 -0.209 1
1 394 . 5 1 1 A 43 43 PRO CB C 43 32.179 31.523 0.656 1
1 403 . 5 1 1 A 45 45 SER CA C 45 58.420 58.209 0.211 1
1 404 . 5 1 1 A 45 45 SER HA H 45 4.496 4.651 -0.155 1
1 405 . 5 1 1 A 45 45 SER CB C 45 63.789 63.979 -0.190 1
1 407 . 5 1 1 A 45 45 SER C C 45 173.912 175.468 -1.556 1
1 1 . 6 1 1 A 9 9 GLY CA C 9 45.161 45.736 -0.575 1
1 2 . 6 1 1 A 9 9 GLY HA2 H 9 3.930 4.063 -0.133 1
1 3 . 6 1 1 A 9 9 GLY C C 9 174.105 172.967 1.138 1
1 4 . 6 1 1 A 10 10 GLU N N 10 120.165 120.593 -0.428 1
1 5 . 6 1 1 A 10 10 GLU H H 10 8.176 8.463 -0.287 1
1 6 . 6 1 1 A 10 10 GLU CA C 10 56.826 54.487 2.339 1
1 7 . 6 1 1 A 10 10 GLU HA H 10 4.181 5.104 -0.923 1
1 8 . 6 1 1 A 10 10 GLU CB C 10 30.258 33.149 -2.891 1
1 14 . 6 1 1 A 10 10 GLU C C 10 176.388 174.205 2.183 1
1 15 . 6 1 1 A 11 11 LYS N N 11 121.439 120.972 0.467 1
1 16 . 6 1 1 A 11 11 LYS H H 11 8.315 8.523 -0.208 1
1 17 . 6 1 1 A 11 11 LYS CA C 11 53.977 52.842 1.135 1
1 18 . 6 1 1 A 11 11 LYS HA H 11 4.539 4.851 -0.312 1
1 19 . 6 1 1 A 11 11 LYS CB C 11 33.584 33.987 -0.403 1
1 31 . 6 1 1 A 11 11 LYS C C 11 174.251 176.173 -1.922 1
1 32 . 6 1 1 A 12 12 PRO CA C 12 63.666 64.964 -1.298 1
1 33 . 6 1 1 A 12 12 PRO HA H 12 4.244 4.269 -0.025 1
1 34 . 6 1 1 A 12 12 PRO CB C 12 32.293 31.664 0.629 1
1 43 . 6 1 1 A 12 12 PRO C C 12 176.348 176.316 0.032 1
1 44 . 6 1 1 A 13 13 PHE N N 13 117.694 118.095 -0.401 1
1 45 . 6 1 1 A 13 13 PHE H H 13 7.752 7.744 0.008 1
1 46 . 6 1 1 A 13 13 PHE CA C 13 57.418 58.188 -0.770 1
1 47 . 6 1 1 A 13 13 PHE HA H 13 4.709 4.710 -0.001 1
1 48 . 6 1 1 A 13 13 PHE CB C 13 39.785 39.335 0.450 1
1 61 . 6 1 1 A 13 13 PHE C C 13 174.405 176.172 -1.767 1
1 62 . 6 1 1 A 14 14 GLN N N 14 124.070 122.054 2.016 1
1 63 . 6 1 1 A 14 14 GLN H H 14 8.923 8.836 0.087 1
1 64 . 6 1 1 A 14 14 GLN CA C 14 54.279 54.036 0.243 1
1 65 . 6 1 1 A 14 14 GLN HA H 14 5.160 5.470 -0.310 1
1 66 . 6 1 1 A 14 14 GLN CB C 14 32.341 32.369 -0.028 1
1 75 . 6 1 1 A 14 14 GLN C C 14 173.888 174.706 -0.818 1
1 76 . 6 1 1 A 15 15 CYS N N 15 117.013 123.846 -6.833 1
1 77 . 6 1 1 A 15 15 CYS H H 15 9.281 9.143 0.138 1
1 78 . 6 1 1 A 15 15 CYS CA C 15 59.545 59.296 0.249 1
1 79 . 6 1 1 A 15 15 CYS HA H 15 4.571 4.622 -0.051 1
1 80 . 6 1 1 A 15 15 CYS CB C 15 29.720 28.820 0.900 1
1 83 . 6 1 1 A 15 15 CYS C C 15 177.248 174.972 2.276 1
1 84 . 6 1 1 A 16 16 GLU N N 16 121.917 123.784 -1.867 1
1 85 . 6 1 1 A 16 16 GLU H H 16 9.724 9.090 0.634 1
1 86 . 6 1 1 A 16 16 GLU CA C 16 58.765 56.535 2.230 1
1 87 . 6 1 1 A 16 16 GLU HA H 16 4.143 4.681 -0.538 1
1 88 . 6 1 1 A 16 16 GLU CB C 16 29.678 31.412 -1.734 1
1 94 . 6 1 1 A 16 16 GLU C C 16 177.332 177.133 0.199 1
1 95 . 6 1 1 A 17 17 GLU N N 17 125.342 116.741 8.601 1
1 96 . 6 1 1 A 17 17 GLU H H 17 7.948 8.104 -0.156 1
1 97 . 6 1 1 A 17 17 GLU CA C 17 58.478 57.437 1.041 1
1 98 . 6 1 1 A 17 17 GLU HA H 17 4.195 4.282 -0.087 1
1 99 . 6 1 1 A 17 17 GLU CB C 17 29.553 30.327 -0.774 1
1 105 . 6 1 1 A 17 17 GLU C C 17 176.702 177.898 -1.196 1
1 106 . 6 1 1 A 18 18 CYS N N 18 120.318 115.027 5.291 1
1 107 . 6 1 1 A 18 18 CYS H H 18 8.582 7.829 0.753 1
1 108 . 6 1 1 A 18 18 CYS CA C 18 58.297 58.575 -0.278 1
1 109 . 6 1 1 A 18 18 CYS HA H 18 5.188 4.659 0.529 1
1 110 . 6 1 1 A 18 18 CYS CB C 18 32.633 29.878 2.755 1
1 113 . 6 1 1 A 18 18 CYS C C 18 176.394 175.603 0.791 1
1 114 . 6 1 1 A 19 19 GLY N N 19 113.672 110.962 2.710 1
1 115 . 6 1 1 A 19 19 GLY H H 19 8.197 8.107 0.090 1
1 116 . 6 1 1 A 19 19 GLY CA C 19 46.144 47.048 -0.904 1
1 117 . 6 1 1 A 19 19 GLY HA2 H 19 4.273 3.934 0.339 1
1 118 . 6 1 1 A 19 19 GLY HA3 H 19 3.815 3.968 -0.153 1
1 119 . 6 1 1 A 19 19 GLY C C 19 174.170 174.424 -0.254 1
1 120 . 6 1 1 A 20 20 LYS N N 20 123.697 118.686 5.011 1
1 121 . 6 1 1 A 20 20 LYS H H 20 8.041 8.135 -0.094 1
1 122 . 6 1 1 A 20 20 LYS CA C 20 58.531 54.575 3.956 1
1 123 . 6 1 1 A 20 20 LYS HA H 20 3.945 4.724 -0.779 1
1 124 . 6 1 1 A 20 20 LYS CB C 20 33.689 34.718 -1.029 1
1 136 . 6 1 1 A 20 20 LYS C C 20 174.434 175.490 -1.056 1
1 137 . 6 1 1 A 21 21 ARG N N 21 119.834 119.168 0.666 1
1 138 . 6 1 1 A 21 21 ARG H H 21 7.850 8.055 -0.205 1
1 139 . 6 1 1 A 21 21 ARG CA C 21 54.746 54.455 0.291 1
1 140 . 6 1 1 A 21 21 ARG HA H 21 5.181 5.107 0.074 1
1 141 . 6 1 1 A 21 21 ARG CB C 21 33.630 33.477 0.153 1
1 150 . 6 1 1 A 21 21 ARG C C 21 175.430 174.612 0.818 1
1 151 . 6 1 1 A 22 22 PHE N N 22 116.396 121.767 -5.371 1
1 152 . 6 1 1 A 22 22 PHE H H 22 8.788 8.549 0.239 1
1 153 . 6 1 1 A 22 22 PHE CA C 22 57.095 56.776 0.319 1
1 154 . 6 1 1 A 22 22 PHE HA H 22 4.895 4.774 0.121 1
1 155 . 6 1 1 A 22 22 PHE CB C 22 44.347 43.675 0.672 1
1 168 . 6 1 1 A 22 22 PHE C C 22 175.617 175.665 -0.048 1
1 169 . 6 1 1 A 23 23 THR N N 23 112.933 117.110 -4.177 1
1 170 . 6 1 1 A 23 23 THR H H 23 9.631 8.794 0.837 1
1 171 . 6 1 1 A 23 23 THR CA C 23 64.070 63.387 0.683 1
1 172 . 6 1 1 A 23 23 THR HA H 23 4.522 4.490 0.032 1
1 173 . 6 1 1 A 23 23 THR CB C 23 69.777 69.796 -0.019 1
1 179 . 6 1 1 A 23 23 THR C C 23 174.715 173.953 0.762 1
1 180 . 6 1 1 A 24 24 GLN N N 24 115.100 120.169 -5.069 1
1 181 . 6 1 1 A 24 24 GLN H H 24 7.065 7.839 -0.774 1
1 182 . 6 1 1 A 24 24 GLN CA C 24 53.879 55.050 -1.171 1
1 183 . 6 1 1 A 24 24 GLN HA H 24 4.636 4.535 0.101 1
1 184 . 6 1 1 A 24 24 GLN CB C 24 31.873 31.787 0.086 1
1 193 . 6 1 1 A 24 24 GLN C C 24 175.862 175.302 0.560 1
1 194 . 6 1 1 A 25 25 ASN CA C 25 55.617 55.462 0.155 1
1 195 . 6 1 1 A 25 25 ASN HA H 25 3.376 3.561 -0.185 1
1 196 . 6 1 1 A 25 25 ASN CB C 25 38.001 36.740 1.261 1
1 202 . 6 1 1 A 26 26 SER CA C 26 60.922 62.222 -1.300 1
1 203 . 6 1 1 A 26 26 SER HA H 26 4.009 3.903 0.106 1
1 204 . 6 1 1 A 26 26 SER CB C 26 61.595 62.919 -1.324 1
1 207 . 6 1 1 A 26 26 SER C C 26 177.198 176.262 0.936 1
1 208 . 6 1 1 A 27 27 HIS N N 27 121.685 119.384 2.301 1
1 209 . 6 1 1 A 27 27 HIS H H 27 6.680 7.873 -1.193 1
1 210 . 6 1 1 A 27 27 HIS CA C 27 56.723 58.653 -1.930 1
1 211 . 6 1 1 A 27 27 HIS HA H 27 4.500 4.409 0.091 1
1 212 . 6 1 1 A 27 27 HIS CB C 27 31.798 29.726 2.072 1
1 219 . 6 1 1 A 27 27 HIS C C 27 178.161 177.729 0.432 1
1 220 . 6 1 1 A 28 28 LEU N N 28 121.741 120.633 1.108 1
1 221 . 6 1 1 A 28 28 LEU H H 28 6.910 7.736 -0.826 1
1 222 . 6 1 1 A 28 28 LEU CA C 28 57.762 57.396 0.366 1
1 223 . 6 1 1 A 28 28 LEU HA H 28 3.087 3.209 -0.122 1
1 224 . 6 1 1 A 28 28 LEU CB C 28 40.341 41.553 -1.212 1
1 237 . 6 1 1 A 28 28 LEU C C 28 177.649 178.741 -1.092 1
1 238 . 6 1 1 A 29 29 HIS N N 29 118.276 118.544 -0.268 1
1 239 . 6 1 1 A 29 29 HIS H H 29 8.195 8.323 -0.128 1
1 240 . 6 1 1 A 29 29 HIS CA C 29 59.210 59.318 -0.108 1
1 241 . 6 1 1 A 29 29 HIS HA H 29 4.387 4.438 -0.051 1
1 242 . 6 1 1 A 29 29 HIS CB C 29 29.860 29.775 0.085 1
1 249 . 6 1 1 A 29 29 HIS C C 29 178.599 178.082 0.517 1
1 250 . 6 1 1 A 30 30 SER N N 30 113.782 115.464 -1.682 1
1 251 . 6 1 1 A 30 30 SER H H 30 7.957 8.281 -0.324 1
1 252 . 6 1 1 A 30 30 SER CA C 30 61.487 61.416 0.071 1
1 253 . 6 1 1 A 30 30 SER HA H 30 4.135 4.234 -0.099 1
1 254 . 6 1 1 A 30 30 SER CB C 30 62.677 62.393 0.284 1
1 257 . 6 1 1 A 30 30 SER C C 30 176.976 176.743 0.233 1
1 258 . 6 1 1 A 31 31 HIS N N 31 121.068 122.147 -1.079 1
1 259 . 6 1 1 A 31 31 HIS H H 31 7.669 7.420 0.249 1
1 260 . 6 1 1 A 31 31 HIS CA C 31 58.850 59.220 -0.370 1
1 261 . 6 1 1 A 31 31 HIS HA H 31 4.253 4.217 0.036 1
1 262 . 6 1 1 A 31 31 HIS CB C 31 28.477 29.980 -1.503 1
1 269 . 6 1 1 A 31 31 HIS C C 31 175.956 177.221 -1.265 1
1 270 . 6 1 1 A 32 32 GLN N N 32 115.453 118.356 -2.903 1
1 271 . 6 1 1 A 32 32 GLN H H 32 8.123 8.333 -0.210 1
1 272 . 6 1 1 A 32 32 GLN CA C 32 59.264 58.251 1.013 1
1 273 . 6 1 1 A 32 32 GLN HA H 32 3.659 4.113 -0.454 1
1 274 . 6 1 1 A 32 32 GLN CB C 32 28.152 28.633 -0.481 1
1 283 . 6 1 1 A 32 32 GLN C C 32 177.332 177.907 -0.575 1
1 284 . 6 1 1 A 33 33 ARG N N 33 117.364 119.629 -2.265 1
1 285 . 6 1 1 A 33 33 ARG H H 33 7.077 7.791 -0.714 1
1 286 . 6 1 1 A 33 33 ARG CA C 33 58.389 58.746 -0.357 1
1 287 . 6 1 1 A 33 33 ARG HA H 33 4.131 4.058 0.073 1
1 288 . 6 1 1 A 33 33 ARG CB C 33 29.966 29.662 0.304 1
1 297 . 6 1 1 A 33 33 ARG C C 33 178.497 179.284 -0.787 1
1 298 . 6 1 1 A 34 34 VAL N N 34 116.278 117.150 -0.872 1
1 299 . 6 1 1 A 34 34 VAL H H 34 7.886 7.276 0.610 1
1 300 . 6 1 1 A 34 34 VAL CA C 34 64.069 64.743 -0.674 1
1 301 . 6 1 1 A 34 34 VAL HA H 34 3.900 3.691 0.209 1
1 302 . 6 1 1 A 34 34 VAL CB C 34 31.122 31.087 0.035 1
1 312 . 6 1 1 A 34 34 VAL C C 34 177.295 176.500 0.795 1
1 313 . 6 1 1 A 35 35 HIS N N 35 117.224 119.055 -1.831 1
1 314 . 6 1 1 A 35 35 HIS H H 35 7.217 7.332 -0.115 1
1 315 . 6 1 1 A 35 35 HIS CA C 35 55.233 55.125 0.108 1
1 316 . 6 1 1 A 35 35 HIS HA H 35 4.864 4.788 0.076 1
1 317 . 6 1 1 A 35 35 HIS CB C 35 28.692 29.971 -1.279 1
1 324 . 6 1 1 A 35 35 HIS C C 35 175.824 175.920 -0.096 1
1 325 . 6 1 1 A 36 36 THR N N 36 111.706 114.879 -3.173 1
1 326 . 6 1 1 A 36 36 THR H H 36 7.770 8.289 -0.519 1
1 327 . 6 1 1 A 36 36 THR CA C 36 62.523 63.160 -0.637 1
1 328 . 6 1 1 A 36 36 THR HA H 36 4.347 4.211 0.136 1
1 329 . 6 1 1 A 36 36 THR CB C 36 69.863 69.446 0.417 1
1 335 . 6 1 1 A 36 36 THR C C 36 175.637 174.701 0.936 1
1 336 . 6 1 1 A 37 37 GLY N N 37 110.627 109.453 1.174 1
1 337 . 6 1 1 A 37 37 GLY H H 37 8.221 7.867 0.354 1
1 338 . 6 1 1 A 37 37 GLY CA C 37 45.344 45.767 -0.423 1
1 339 . 6 1 1 A 37 37 GLY HA2 H 37 4.018 3.998 0.020 1
1 340 . 6 1 1 A 37 37 GLY HA3 H 37 3.943 4.005 -0.062 1
1 341 . 6 1 1 A 37 37 GLY C C 37 174.070 174.072 -0.002 1
1 342 . 6 1 1 A 38 38 GLU N N 38 120.538 122.678 -2.140 1
1 343 . 6 1 1 A 38 38 GLU H H 38 8.081 8.486 -0.405 1
1 344 . 6 1 1 A 38 38 GLU CA C 38 56.425 56.605 -0.180 1
1 345 . 6 1 1 A 38 38 GLU HA H 38 4.240 4.382 -0.142 1
1 346 . 6 1 1 A 38 38 GLU CB C 38 30.510 30.826 -0.316 1
1 352 . 6 1 1 A 38 38 GLU C C 38 176.244 175.890 0.354 1
1 353 . 6 1 1 A 39 39 LYS N N 39 123.780 123.111 0.669 1
1 354 . 6 1 1 A 39 39 LYS H H 39 8.381 8.716 -0.335 1
1 355 . 6 1 1 A 39 39 LYS CA C 39 54.135 54.343 -0.208 1
1 356 . 6 1 1 A 39 39 LYS HA H 39 4.593 4.821 -0.228 1
1 357 . 6 1 1 A 39 39 LYS CB C 39 32.496 35.594 -3.098 1
1 369 . 6 1 1 A 39 39 LYS C C 39 174.521 175.791 -1.270 1
1 370 . 6 1 1 A 40 40 PRO CA C 40 63.225 65.204 -1.979 1
1 371 . 6 1 1 A 40 40 PRO HA H 40 4.452 4.334 0.118 1
1 372 . 6 1 1 A 40 40 PRO CB C 40 32.181 31.915 0.266 1
1 381 . 6 1 1 A 40 40 PRO C C 40 176.999 177.472 -0.473 1
1 382 . 6 1 1 A 41 41 SER N N 41 116.501 110.654 5.847 1
1 383 . 6 1 1 A 41 41 SER H H 41 8.466 7.940 0.526 1
1 384 . 6 1 1 A 41 41 SER CA C 41 58.367 59.698 -1.331 1
1 385 . 6 1 1 A 41 41 SER HA H 41 4.512 4.290 0.222 1
1 386 . 6 1 1 A 41 41 SER CB C 41 63.986 62.792 1.194 1
1 388 . 6 1 1 A 41 41 SER C C 41 174.682 174.522 0.160 1
1 389 . 6 1 1 A 42 42 GLY CA C 42 44.661 45.800 -1.139 1
1 390 . 6 1 1 A 42 42 GLY HA2 H 42 4.099 4.275 -0.176 1
1 391 . 6 1 1 A 42 42 GLY HA3 H 42 4.147 4.275 -0.128 1
1 392 . 6 1 1 A 43 43 PRO CA C 43 63.240 64.198 -0.958 1
1 393 . 6 1 1 A 43 43 PRO HA H 43 4.463 4.422 0.041 1
1 394 . 6 1 1 A 43 43 PRO CB C 43 32.179 31.763 0.416 1
1 403 . 6 1 1 A 45 45 SER CA C 45 58.420 60.637 -2.217 1
1 404 . 6 1 1 A 45 45 SER HA H 45 4.496 4.307 0.189 1
1 405 . 6 1 1 A 45 45 SER CB C 45 63.789 63.692 0.097 1
1 407 . 6 1 1 A 45 45 SER C C 45 173.912 174.525 -0.613 1
1 1 . 7 1 1 A 9 9 GLY CA C 9 45.161 45.416 -0.255 1
1 2 . 7 1 1 A 9 9 GLY HA2 H 9 3.930 4.000 -0.070 1
1 3 . 7 1 1 A 9 9 GLY C C 9 174.105 173.041 1.064 1
1 4 . 7 1 1 A 10 10 GLU N N 10 120.165 121.839 -1.674 1
1 5 . 7 1 1 A 10 10 GLU H H 10 8.176 8.724 -0.548 1
1 6 . 7 1 1 A 10 10 GLU CA C 10 56.826 54.977 1.849 1
1 7 . 7 1 1 A 10 10 GLU HA H 10 4.181 4.904 -0.723 1
1 8 . 7 1 1 A 10 10 GLU CB C 10 30.258 33.000 -2.742 1
1 14 . 7 1 1 A 10 10 GLU C C 10 176.388 175.325 1.063 1
1 15 . 7 1 1 A 11 11 LYS N N 11 121.439 125.030 -3.591 1
1 16 . 7 1 1 A 11 11 LYS H H 11 8.315 8.900 -0.585 1
1 17 . 7 1 1 A 11 11 LYS CA C 11 53.977 53.342 0.635 1
1 18 . 7 1 1 A 11 11 LYS HA H 11 4.539 4.667 -0.128 1
1 19 . 7 1 1 A 11 11 LYS CB C 11 33.584 32.515 1.069 1
1 31 . 7 1 1 A 11 11 LYS C C 11 174.251 176.301 -2.050 1
1 32 . 7 1 1 A 12 12 PRO CA C 12 63.666 64.555 -0.889 1
1 33 . 7 1 1 A 12 12 PRO HA H 12 4.244 4.262 -0.018 1
1 34 . 7 1 1 A 12 12 PRO CB C 12 32.293 31.660 0.633 1
1 43 . 7 1 1 A 12 12 PRO C C 12 176.348 176.019 0.329 1
1 44 . 7 1 1 A 13 13 PHE N N 13 117.694 117.614 0.080 1
1 45 . 7 1 1 A 13 13 PHE H H 13 7.752 7.711 0.041 1
1 46 . 7 1 1 A 13 13 PHE CA C 13 57.418 56.907 0.511 1
1 47 . 7 1 1 A 13 13 PHE HA H 13 4.709 4.819 -0.110 1
1 48 . 7 1 1 A 13 13 PHE CB C 13 39.785 38.897 0.888 1
1 61 . 7 1 1 A 13 13 PHE C C 13 174.405 175.178 -0.773 1
1 62 . 7 1 1 A 14 14 GLN N N 14 124.070 122.819 1.251 1
1 63 . 7 1 1 A 14 14 GLN H H 14 8.923 8.780 0.143 1
1 64 . 7 1 1 A 14 14 GLN CA C 14 54.279 53.881 0.398 1
1 65 . 7 1 1 A 14 14 GLN HA H 14 5.160 5.301 -0.141 1
1 66 . 7 1 1 A 14 14 GLN CB C 14 32.341 32.077 0.264 1
1 75 . 7 1 1 A 14 14 GLN C C 14 173.888 174.957 -1.069 1
1 76 . 7 1 1 A 15 15 CYS N N 15 117.013 124.392 -7.379 1
1 77 . 7 1 1 A 15 15 CYS H H 15 9.281 9.046 0.235 1
1 78 . 7 1 1 A 15 15 CYS CA C 15 59.545 59.609 -0.064 1
1 79 . 7 1 1 A 15 15 CYS HA H 15 4.571 4.638 -0.067 1
1 80 . 7 1 1 A 15 15 CYS CB C 15 29.720 29.077 0.643 1
1 83 . 7 1 1 A 15 15 CYS C C 15 177.248 174.896 2.352 1
1 84 . 7 1 1 A 16 16 GLU N N 16 121.917 124.072 -2.155 1
1 85 . 7 1 1 A 16 16 GLU H H 16 9.724 9.154 0.570 1
1 86 . 7 1 1 A 16 16 GLU CA C 16 58.765 56.507 2.258 1
1 87 . 7 1 1 A 16 16 GLU HA H 16 4.143 4.678 -0.535 1
1 88 . 7 1 1 A 16 16 GLU CB C 16 29.678 31.208 -1.530 1
1 94 . 7 1 1 A 16 16 GLU C C 16 177.332 177.092 0.240 1
1 95 . 7 1 1 A 17 17 GLU N N 17 125.342 119.466 5.876 1
1 96 . 7 1 1 A 17 17 GLU H H 17 7.948 8.138 -0.190 1
1 97 . 7 1 1 A 17 17 GLU CA C 17 58.478 57.962 0.516 1
1 98 . 7 1 1 A 17 17 GLU HA H 17 4.195 4.165 0.030 1
1 99 . 7 1 1 A 17 17 GLU CB C 17 29.553 30.061 -0.508 1
1 105 . 7 1 1 A 17 17 GLU C C 17 176.702 177.289 -0.587 1
1 106 . 7 1 1 A 18 18 CYS N N 18 120.318 115.820 4.498 1
1 107 . 7 1 1 A 18 18 CYS H H 18 8.582 7.823 0.759 1
1 108 . 7 1 1 A 18 18 CYS CA C 18 58.297 58.562 -0.265 1
1 109 . 7 1 1 A 18 18 CYS HA H 18 5.188 4.629 0.559 1
1 110 . 7 1 1 A 18 18 CYS CB C 18 32.633 29.610 3.023 1
1 113 . 7 1 1 A 18 18 CYS C C 18 176.394 175.607 0.787 1
1 114 . 7 1 1 A 19 19 GLY N N 19 113.672 110.962 2.710 1
1 115 . 7 1 1 A 19 19 GLY H H 19 8.197 8.074 0.123 1
1 116 . 7 1 1 A 19 19 GLY CA C 19 46.144 47.047 -0.903 1
1 117 . 7 1 1 A 19 19 GLY HA2 H 19 4.273 3.941 0.332 1
1 118 . 7 1 1 A 19 19 GLY HA3 H 19 3.815 3.978 -0.163 1
1 119 . 7 1 1 A 19 19 GLY C C 19 174.170 174.512 -0.342 1
1 120 . 7 1 1 A 20 20 LYS N N 20 123.697 118.660 5.037 1
1 121 . 7 1 1 A 20 20 LYS H H 20 8.041 8.184 -0.143 1
1 122 . 7 1 1 A 20 20 LYS CA C 20 58.531 54.717 3.814 1
1 123 . 7 1 1 A 20 20 LYS HA H 20 3.945 4.641 -0.696 1
1 124 . 7 1 1 A 20 20 LYS CB C 20 33.689 34.544 -0.855 1
1 136 . 7 1 1 A 20 20 LYS C C 20 174.434 175.468 -1.034 1
1 137 . 7 1 1 A 21 21 ARG N N 21 119.834 118.798 1.036 1
1 138 . 7 1 1 A 21 21 ARG H H 21 7.850 7.674 0.176 1
1 139 . 7 1 1 A 21 21 ARG CA C 21 54.746 54.339 0.407 1
1 140 . 7 1 1 A 21 21 ARG HA H 21 5.181 4.937 0.244 1
1 141 . 7 1 1 A 21 21 ARG CB C 21 33.630 33.517 0.113 1
1 150 . 7 1 1 A 21 21 ARG C C 21 175.430 174.315 1.115 1
1 151 . 7 1 1 A 22 22 PHE N N 22 116.396 120.985 -4.589 1
1 152 . 7 1 1 A 22 22 PHE H H 22 8.788 8.373 0.415 1
1 153 . 7 1 1 A 22 22 PHE CA C 22 57.095 56.919 0.176 1
1 154 . 7 1 1 A 22 22 PHE HA H 22 4.895 4.898 -0.003 1
1 155 . 7 1 1 A 22 22 PHE CB C 22 44.347 42.908 1.439 1
1 168 . 7 1 1 A 22 22 PHE C C 22 175.617 175.771 -0.154 1
1 169 . 7 1 1 A 23 23 THR N N 23 112.933 118.532 -5.599 1
1 170 . 7 1 1 A 23 23 THR H H 23 9.631 8.667 0.964 1
1 171 . 7 1 1 A 23 23 THR CA C 23 64.070 64.347 -0.277 1
1 172 . 7 1 1 A 23 23 THR HA H 23 4.522 4.418 0.104 1
1 173 . 7 1 1 A 23 23 THR CB C 23 69.777 69.793 -0.016 1
1 179 . 7 1 1 A 23 23 THR C C 23 174.715 174.210 0.505 1
1 180 . 7 1 1 A 24 24 GLN N N 24 115.100 118.596 -3.496 1
1 181 . 7 1 1 A 24 24 GLN H H 24 7.065 7.766 -0.701 1
1 182 . 7 1 1 A 24 24 GLN CA C 24 53.879 54.078 -0.199 1
1 183 . 7 1 1 A 24 24 GLN HA H 24 4.636 4.398 0.238 1
1 184 . 7 1 1 A 24 24 GLN CB C 24 31.873 30.481 1.392 1
1 193 . 7 1 1 A 24 24 GLN C C 24 175.862 175.758 0.104 1
1 194 . 7 1 1 A 25 25 ASN CA C 25 55.617 55.559 0.058 1
1 195 . 7 1 1 A 25 25 ASN HA H 25 3.376 3.710 -0.334 1
1 196 . 7 1 1 A 25 25 ASN CB C 25 38.001 36.755 1.246 1
1 202 . 7 1 1 A 26 26 SER CA C 26 60.922 62.177 -1.255 1
1 203 . 7 1 1 A 26 26 SER HA H 26 4.009 3.888 0.121 1
1 204 . 7 1 1 A 26 26 SER CB C 26 61.595 62.756 -1.161 1
1 207 . 7 1 1 A 26 26 SER C C 26 177.198 176.373 0.825 1
1 208 . 7 1 1 A 27 27 HIS N N 27 121.685 119.336 2.349 1
1 209 . 7 1 1 A 27 27 HIS H H 27 6.680 7.559 -0.879 1
1 210 . 7 1 1 A 27 27 HIS CA C 27 56.723 58.764 -2.041 1
1 211 . 7 1 1 A 27 27 HIS HA H 27 4.500 4.219 0.281 1
1 212 . 7 1 1 A 27 27 HIS CB C 27 31.798 29.865 1.933 1
1 219 . 7 1 1 A 27 27 HIS C C 27 178.161 177.480 0.681 1
1 220 . 7 1 1 A 28 28 LEU N N 28 121.741 120.669 1.072 1
1 221 . 7 1 1 A 28 28 LEU H H 28 6.910 7.767 -0.857 1
1 222 . 7 1 1 A 28 28 LEU CA C 28 57.762 57.942 -0.180 1
1 223 . 7 1 1 A 28 28 LEU HA H 28 3.087 3.608 -0.521 1
1 224 . 7 1 1 A 28 28 LEU CB C 28 40.341 41.888 -1.547 1
1 237 . 7 1 1 A 28 28 LEU C C 28 177.649 178.615 -0.966 1
1 238 . 7 1 1 A 29 29 HIS N N 29 118.276 118.467 -0.191 1
1 239 . 7 1 1 A 29 29 HIS H H 29 8.195 8.497 -0.302 1
1 240 . 7 1 1 A 29 29 HIS CA C 29 59.210 59.496 -0.286 1
1 241 . 7 1 1 A 29 29 HIS HA H 29 4.387 4.209 0.178 1
1 242 . 7 1 1 A 29 29 HIS CB C 29 29.860 29.778 0.082 1
1 249 . 7 1 1 A 29 29 HIS C C 29 178.599 177.856 0.743 1
1 250 . 7 1 1 A 30 30 SER N N 30 113.782 113.867 -0.085 1
1 251 . 7 1 1 A 30 30 SER H H 30 7.957 7.973 -0.016 1
1 252 . 7 1 1 A 30 30 SER CA C 30 61.487 61.223 0.264 1
1 253 . 7 1 1 A 30 30 SER HA H 30 4.135 4.085 0.050 1
1 254 . 7 1 1 A 30 30 SER CB C 30 62.677 62.837 -0.160 1
1 257 . 7 1 1 A 30 30 SER C C 30 176.976 176.872 0.104 1
1 258 . 7 1 1 A 31 31 HIS N N 31 121.068 121.450 -0.382 1
1 259 . 7 1 1 A 31 31 HIS H H 31 7.669 7.929 -0.260 1
1 260 . 7 1 1 A 31 31 HIS CA C 31 58.850 59.895 -1.045 1
1 261 . 7 1 1 A 31 31 HIS HA H 31 4.253 4.089 0.164 1
1 262 . 7 1 1 A 31 31 HIS CB C 31 28.477 29.565 -1.088 1
1 269 . 7 1 1 A 31 31 HIS C C 31 175.956 177.220 -1.264 1
1 270 . 7 1 1 A 32 32 GLN N N 32 115.453 118.349 -2.896 1
1 271 . 7 1 1 A 32 32 GLN H H 32 8.123 8.555 -0.432 1
1 272 . 7 1 1 A 32 32 GLN CA C 32 59.264 59.371 -0.107 1
1 273 . 7 1 1 A 32 32 GLN HA H 32 3.659 3.838 -0.179 1
1 274 . 7 1 1 A 32 32 GLN CB C 32 28.152 28.413 -0.261 1
1 283 . 7 1 1 A 32 32 GLN C C 32 177.332 178.553 -1.221 1
1 284 . 7 1 1 A 33 33 ARG N N 33 117.364 119.191 -1.827 1
1 285 . 7 1 1 A 33 33 ARG H H 33 7.077 7.621 -0.544 1
1 286 . 7 1 1 A 33 33 ARG CA C 33 58.389 58.411 -0.022 1
1 287 . 7 1 1 A 33 33 ARG HA H 33 4.131 4.013 0.118 1
1 288 . 7 1 1 A 33 33 ARG CB C 33 29.966 30.054 -0.088 1
1 297 . 7 1 1 A 33 33 ARG C C 33 178.497 178.699 -0.202 1
1 298 . 7 1 1 A 34 34 VAL N N 34 116.278 119.134 -2.856 1
1 299 . 7 1 1 A 34 34 VAL H H 34 7.886 7.564 0.322 1
1 300 . 7 1 1 A 34 34 VAL CA C 34 64.069 65.197 -1.128 1
1 301 . 7 1 1 A 34 34 VAL HA H 34 3.900 3.623 0.277 1
1 302 . 7 1 1 A 34 34 VAL CB C 34 31.122 31.325 -0.203 1
1 312 . 7 1 1 A 34 34 VAL C C 34 177.295 176.772 0.523 1
1 313 . 7 1 1 A 35 35 HIS N N 35 117.224 117.995 -0.771 1
1 314 . 7 1 1 A 35 35 HIS H H 35 7.217 7.510 -0.293 1
1 315 . 7 1 1 A 35 35 HIS CA C 35 55.233 55.425 -0.192 1
1 316 . 7 1 1 A 35 35 HIS HA H 35 4.864 4.644 0.220 1
1 317 . 7 1 1 A 35 35 HIS CB C 35 28.692 29.499 -0.807 1
1 324 . 7 1 1 A 35 35 HIS C C 35 175.824 175.835 -0.011 1
1 325 . 7 1 1 A 36 36 THR N N 36 111.706 113.639 -1.933 1
1 326 . 7 1 1 A 36 36 THR H H 36 7.770 8.154 -0.384 1
1 327 . 7 1 1 A 36 36 THR CA C 36 62.523 64.797 -2.274 1
1 328 . 7 1 1 A 36 36 THR HA H 36 4.347 4.027 0.320 1
1 329 . 7 1 1 A 36 36 THR CB C 36 69.863 68.454 1.409 1
1 335 . 7 1 1 A 36 36 THR C C 36 175.637 175.436 0.201 1
1 336 . 7 1 1 A 37 37 GLY N N 37 110.627 109.345 1.282 1
1 337 . 7 1 1 A 37 37 GLY H H 37 8.221 7.439 0.782 1
1 338 . 7 1 1 A 37 37 GLY CA C 37 45.344 45.262 0.082 1
1 339 . 7 1 1 A 37 37 GLY HA2 H 37 4.018 4.101 -0.083 1
1 340 . 7 1 1 A 37 37 GLY HA3 H 37 3.943 4.111 -0.168 1
1 341 . 7 1 1 A 37 37 GLY C C 37 174.070 174.077 -0.007 1
1 342 . 7 1 1 A 38 38 GLU N N 38 120.538 120.009 0.529 1
1 343 . 7 1 1 A 38 38 GLU H H 38 8.081 8.012 0.069 1
1 344 . 7 1 1 A 38 38 GLU CA C 38 56.425 55.268 1.157 1
1 345 . 7 1 1 A 38 38 GLU HA H 38 4.240 4.537 -0.297 1
1 346 . 7 1 1 A 38 38 GLU CB C 38 30.510 30.288 0.222 1
1 352 . 7 1 1 A 38 38 GLU C C 38 176.244 175.037 1.207 1
1 353 . 7 1 1 A 39 39 LYS N N 39 123.780 119.961 3.819 1
1 354 . 7 1 1 A 39 39 LYS H H 39 8.381 7.314 1.067 1
1 355 . 7 1 1 A 39 39 LYS CA C 39 54.135 53.103 1.032 1
1 356 . 7 1 1 A 39 39 LYS HA H 39 4.593 4.671 -0.078 1
1 357 . 7 1 1 A 39 39 LYS CB C 39 32.496 33.198 -0.702 1
1 369 . 7 1 1 A 39 39 LYS C C 39 174.521 176.340 -1.819 1
1 370 . 7 1 1 A 40 40 PRO CA C 40 63.225 65.070 -1.845 1
1 371 . 7 1 1 A 40 40 PRO HA H 40 4.452 4.407 0.045 1
1 372 . 7 1 1 A 40 40 PRO CB C 40 32.181 31.952 0.229 1
1 381 . 7 1 1 A 40 40 PRO C C 40 176.999 176.926 0.073 1
1 382 . 7 1 1 A 41 41 SER N N 41 116.501 113.317 3.184 1
1 383 . 7 1 1 A 41 41 SER H H 41 8.466 7.799 0.667 1
1 384 . 7 1 1 A 41 41 SER CA C 41 58.367 59.555 -1.188 1
1 385 . 7 1 1 A 41 41 SER HA H 41 4.512 4.326 0.186 1
1 386 . 7 1 1 A 41 41 SER CB C 41 63.986 63.346 0.640 1
1 388 . 7 1 1 A 41 41 SER C C 41 174.682 175.065 -0.383 1
1 389 . 7 1 1 A 42 42 GLY CA C 42 44.661 46.382 -1.721 1
1 390 . 7 1 1 A 42 42 GLY HA2 H 42 4.099 3.955 0.144 1
1 391 . 7 1 1 A 42 42 GLY HA3 H 42 4.147 3.956 0.191 1
1 392 . 7 1 1 A 43 43 PRO CA C 43 63.240 65.050 -1.810 1
1 393 . 7 1 1 A 43 43 PRO HA H 43 4.463 4.315 0.148 1
1 394 . 7 1 1 A 43 43 PRO CB C 43 32.179 31.733 0.446 1
1 403 . 7 1 1 A 45 45 SER CA C 45 58.420 59.527 -1.107 1
1 404 . 7 1 1 A 45 45 SER HA H 45 4.496 4.584 -0.088 1
1 405 . 7 1 1 A 45 45 SER CB C 45 63.789 65.030 -1.241 1
1 407 . 7 1 1 A 45 45 SER C C 45 173.912 175.589 -1.677 1
1 1 . 8 1 1 A 9 9 GLY CA C 9 45.161 46.893 -1.732 1
1 2 . 8 1 1 A 9 9 GLY HA2 H 9 3.930 3.785 0.145 1
1 3 . 8 1 1 A 9 9 GLY C C 9 174.105 174.461 -0.356 1
1 4 . 8 1 1 A 10 10 GLU N N 10 120.165 122.158 -1.993 1
1 5 . 8 1 1 A 10 10 GLU H H 10 8.176 8.797 -0.621 1
1 6 . 8 1 1 A 10 10 GLU CA C 10 56.826 57.376 -0.550 1
1 7 . 8 1 1 A 10 10 GLU HA H 10 4.181 3.924 0.257 1
1 8 . 8 1 1 A 10 10 GLU CB C 10 30.258 28.460 1.798 1
1 14 . 8 1 1 A 10 10 GLU C C 10 176.388 175.075 1.313 1
1 15 . 8 1 1 A 11 11 LYS N N 11 121.439 118.901 2.538 1
1 16 . 8 1 1 A 11 11 LYS H H 11 8.315 7.815 0.500 1
1 17 . 8 1 1 A 11 11 LYS CA C 11 53.977 52.676 1.301 1
1 18 . 8 1 1 A 11 11 LYS HA H 11 4.539 4.711 -0.172 1
1 19 . 8 1 1 A 11 11 LYS CB C 11 33.584 34.060 -0.476 1
1 31 . 8 1 1 A 11 11 LYS C C 11 174.251 175.931 -1.680 1
1 32 . 8 1 1 A 12 12 PRO CA C 12 63.666 64.540 -0.874 1
1 33 . 8 1 1 A 12 12 PRO HA H 12 4.244 4.318 -0.074 1
1 34 . 8 1 1 A 12 12 PRO CB C 12 32.293 31.629 0.664 1
1 43 . 8 1 1 A 12 12 PRO C C 12 176.348 176.088 0.260 1
1 44 . 8 1 1 A 13 13 PHE N N 13 117.694 117.558 0.136 1
1 45 . 8 1 1 A 13 13 PHE H H 13 7.752 7.643 0.109 1
1 46 . 8 1 1 A 13 13 PHE CA C 13 57.418 56.788 0.630 1
1 47 . 8 1 1 A 13 13 PHE HA H 13 4.709 4.815 -0.106 1
1 48 . 8 1 1 A 13 13 PHE CB C 13 39.785 38.163 1.622 1
1 61 . 8 1 1 A 13 13 PHE C C 13 174.405 175.047 -0.642 1
1 62 . 8 1 1 A 14 14 GLN N N 14 124.070 122.372 1.698 1
1 63 . 8 1 1 A 14 14 GLN H H 14 8.923 8.727 0.196 1
1 64 . 8 1 1 A 14 14 GLN CA C 14 54.279 53.896 0.383 1
1 65 . 8 1 1 A 14 14 GLN HA H 14 5.160 5.289 -0.129 1
1 66 . 8 1 1 A 14 14 GLN CB C 14 32.341 31.981 0.360 1
1 75 . 8 1 1 A 14 14 GLN C C 14 173.888 175.227 -1.339 1
1 76 . 8 1 1 A 15 15 CYS N N 15 117.013 124.278 -7.265 1
1 77 . 8 1 1 A 15 15 CYS H H 15 9.281 9.038 0.243 1
1 78 . 8 1 1 A 15 15 CYS CA C 15 59.545 59.487 0.058 1
1 79 . 8 1 1 A 15 15 CYS HA H 15 4.571 4.623 -0.052 1
1 80 . 8 1 1 A 15 15 CYS CB C 15 29.720 28.985 0.735 1
1 83 . 8 1 1 A 15 15 CYS C C 15 177.248 174.865 2.383 1
1 84 . 8 1 1 A 16 16 GLU N N 16 121.917 123.878 -1.961 1
1 85 . 8 1 1 A 16 16 GLU H H 16 9.724 9.111 0.613 1
1 86 . 8 1 1 A 16 16 GLU CA C 16 58.765 56.703 2.062 1
1 87 . 8 1 1 A 16 16 GLU HA H 16 4.143 4.687 -0.544 1
1 88 . 8 1 1 A 16 16 GLU CB C 16 29.678 31.402 -1.724 1
1 94 . 8 1 1 A 16 16 GLU C C 16 177.332 177.159 0.173 1
1 95 . 8 1 1 A 17 17 GLU N N 17 125.342 119.429 5.913 1
1 96 . 8 1 1 A 17 17 GLU H H 17 7.948 8.155 -0.207 1
1 97 . 8 1 1 A 17 17 GLU CA C 17 58.478 58.050 0.428 1
1 98 . 8 1 1 A 17 17 GLU HA H 17 4.195 4.176 0.019 1
1 99 . 8 1 1 A 17 17 GLU CB C 17 29.553 30.045 -0.492 1
1 105 . 8 1 1 A 17 17 GLU C C 17 176.702 177.268 -0.566 1
1 106 . 8 1 1 A 18 18 CYS N N 18 120.318 115.225 5.093 1
1 107 . 8 1 1 A 18 18 CYS H H 18 8.582 7.735 0.847 1
1 108 . 8 1 1 A 18 18 CYS CA C 18 58.297 58.532 -0.235 1
1 109 . 8 1 1 A 18 18 CYS HA H 18 5.188 4.621 0.567 1
1 110 . 8 1 1 A 18 18 CYS CB C 18 32.633 29.503 3.130 1
1 113 . 8 1 1 A 18 18 CYS C C 18 176.394 175.547 0.847 1
1 114 . 8 1 1 A 19 19 GLY N N 19 113.672 111.135 2.537 1
1 115 . 8 1 1 A 19 19 GLY H H 19 8.197 8.053 0.144 1
1 116 . 8 1 1 A 19 19 GLY CA C 19 46.144 47.032 -0.888 1
1 117 . 8 1 1 A 19 19 GLY HA2 H 19 4.273 3.926 0.347 1
1 118 . 8 1 1 A 19 19 GLY HA3 H 19 3.815 3.959 -0.144 1
1 119 . 8 1 1 A 19 19 GLY C C 19 174.170 174.570 -0.400 1
1 120 . 8 1 1 A 20 20 LYS N N 20 123.697 118.808 4.889 1
1 121 . 8 1 1 A 20 20 LYS H H 20 8.041 8.264 -0.223 1
1 122 . 8 1 1 A 20 20 LYS CA C 20 58.531 55.134 3.397 1
1 123 . 8 1 1 A 20 20 LYS HA H 20 3.945 4.567 -0.622 1
1 124 . 8 1 1 A 20 20 LYS CB C 20 33.689 34.155 -0.466 1
1 136 . 8 1 1 A 20 20 LYS C C 20 174.434 175.279 -0.845 1
1 137 . 8 1 1 A 21 21 ARG N N 21 119.834 118.683 1.151 1
1 138 . 8 1 1 A 21 21 ARG H H 21 7.850 7.751 0.099 1
1 139 . 8 1 1 A 21 21 ARG CA C 21 54.746 54.608 0.138 1
1 140 . 8 1 1 A 21 21 ARG HA H 21 5.181 4.941 0.240 1
1 141 . 8 1 1 A 21 21 ARG CB C 21 33.630 32.612 1.018 1
1 150 . 8 1 1 A 21 21 ARG C C 21 175.430 174.491 0.939 1
1 151 . 8 1 1 A 22 22 PHE N N 22 116.396 122.498 -6.102 1
1 152 . 8 1 1 A 22 22 PHE H H 22 8.788 8.463 0.325 1
1 153 . 8 1 1 A 22 22 PHE CA C 22 57.095 56.961 0.134 1
1 154 . 8 1 1 A 22 22 PHE HA H 22 4.895 4.896 -0.001 1
1 155 . 8 1 1 A 22 22 PHE CB C 22 44.347 42.981 1.366 1
1 168 . 8 1 1 A 22 22 PHE C C 22 175.617 176.102 -0.485 1
1 169 . 8 1 1 A 23 23 THR N N 23 112.933 115.680 -2.747 1
1 170 . 8 1 1 A 23 23 THR H H 23 9.631 8.784 0.847 1
1 171 . 8 1 1 A 23 23 THR CA C 23 64.070 65.749 -1.679 1
1 172 . 8 1 1 A 23 23 THR HA H 23 4.522 4.353 0.169 1
1 173 . 8 1 1 A 23 23 THR CB C 23 69.777 68.981 0.796 1
1 179 . 8 1 1 A 23 23 THR C C 23 174.715 174.880 -0.165 1
1 180 . 8 1 1 A 24 24 GLN N N 24 115.100 119.938 -4.838 1
1 181 . 8 1 1 A 24 24 GLN H H 24 7.065 8.099 -1.034 1
1 182 . 8 1 1 A 24 24 GLN CA C 24 53.879 54.564 -0.685 1
1 183 . 8 1 1 A 24 24 GLN HA H 24 4.636 4.427 0.209 1
1 184 . 8 1 1 A 24 24 GLN CB C 24 31.873 29.642 2.231 1
1 193 . 8 1 1 A 24 24 GLN C C 24 175.862 176.065 -0.203 1
1 194 . 8 1 1 A 25 25 ASN CA C 25 55.617 55.333 0.284 1
1 195 . 8 1 1 A 25 25 ASN HA H 25 3.376 3.415 -0.039 1
1 196 . 8 1 1 A 25 25 ASN CB C 25 38.001 36.934 1.067 1
1 202 . 8 1 1 A 26 26 SER CA C 26 60.922 61.631 -0.709 1
1 203 . 8 1 1 A 26 26 SER HA H 26 4.009 3.984 0.025 1
1 204 . 8 1 1 A 26 26 SER CB C 26 61.595 62.892 -1.297 1
1 207 . 8 1 1 A 26 26 SER C C 26 177.198 176.921 0.277 1
1 208 . 8 1 1 A 27 27 HIS N N 27 121.685 119.067 2.618 1
1 209 . 8 1 1 A 27 27 HIS H H 27 6.680 7.716 -1.036 1
1 210 . 8 1 1 A 27 27 HIS CA C 27 56.723 58.539 -1.816 1
1 211 . 8 1 1 A 27 27 HIS HA H 27 4.500 4.229 0.271 1
1 212 . 8 1 1 A 27 27 HIS CB C 27 31.798 29.328 2.470 1
1 219 . 8 1 1 A 27 27 HIS C C 27 178.161 177.469 0.692 1
1 220 . 8 1 1 A 28 28 LEU N N 28 121.741 120.461 1.280 1
1 221 . 8 1 1 A 28 28 LEU H H 28 6.910 7.826 -0.916 1
1 222 . 8 1 1 A 28 28 LEU CA C 28 57.762 57.571 0.191 1
1 223 . 8 1 1 A 28 28 LEU HA H 28 3.087 3.256 -0.169 1
1 224 . 8 1 1 A 28 28 LEU CB C 28 40.341 41.385 -1.044 1
1 237 . 8 1 1 A 28 28 LEU C C 28 177.649 178.417 -0.768 1
1 238 . 8 1 1 A 29 29 HIS N N 29 118.276 118.400 -0.124 1
1 239 . 8 1 1 A 29 29 HIS H H 29 8.195 8.275 -0.080 1
1 240 . 8 1 1 A 29 29 HIS CA C 29 59.210 59.511 -0.301 1
1 241 . 8 1 1 A 29 29 HIS HA H 29 4.387 4.309 0.078 1
1 242 . 8 1 1 A 29 29 HIS CB C 29 29.860 29.490 0.370 1
1 249 . 8 1 1 A 29 29 HIS C C 29 178.599 178.048 0.551 1
1 250 . 8 1 1 A 30 30 SER N N 30 113.782 115.626 -1.844 1
1 251 . 8 1 1 A 30 30 SER H H 30 7.957 8.414 -0.457 1
1 252 . 8 1 1 A 30 30 SER CA C 30 61.487 61.005 0.482 1
1 253 . 8 1 1 A 30 30 SER HA H 30 4.135 4.321 -0.186 1
1 254 . 8 1 1 A 30 30 SER CB C 30 62.677 63.217 -0.540 1
1 257 . 8 1 1 A 30 30 SER C C 30 176.976 176.100 0.876 1
1 258 . 8 1 1 A 31 31 HIS N N 31 121.068 121.900 -0.832 1
1 259 . 8 1 1 A 31 31 HIS H H 31 7.669 7.921 -0.252 1
1 260 . 8 1 1 A 31 31 HIS CA C 31 58.850 59.193 -0.343 1
1 261 . 8 1 1 A 31 31 HIS HA H 31 4.253 4.163 0.090 1
1 262 . 8 1 1 A 31 31 HIS CB C 31 28.477 29.912 -1.435 1
1 269 . 8 1 1 A 31 31 HIS C C 31 175.956 177.070 -1.114 1
1 270 . 8 1 1 A 32 32 GLN N N 32 115.453 119.070 -3.617 1
1 271 . 8 1 1 A 32 32 GLN H H 32 8.123 8.596 -0.473 1
1 272 . 8 1 1 A 32 32 GLN CA C 32 59.264 59.394 -0.130 1
1 273 . 8 1 1 A 32 32 GLN HA H 32 3.659 3.879 -0.220 1
1 274 . 8 1 1 A 32 32 GLN CB C 32 28.152 28.067 0.085 1
1 283 . 8 1 1 A 32 32 GLN C C 32 177.332 178.593 -1.261 1
1 284 . 8 1 1 A 33 33 ARG N N 33 117.364 118.304 -0.940 1
1 285 . 8 1 1 A 33 33 ARG H H 33 7.077 8.207 -1.130 1
1 286 . 8 1 1 A 33 33 ARG CA C 33 58.389 58.541 -0.152 1
1 287 . 8 1 1 A 33 33 ARG HA H 33 4.131 4.095 0.036 1
1 288 . 8 1 1 A 33 33 ARG CB C 33 29.966 29.634 0.332 1
1 297 . 8 1 1 A 33 33 ARG C C 33 178.497 178.285 0.212 1
1 298 . 8 1 1 A 34 34 VAL N N 34 116.278 120.446 -4.168 1
1 299 . 8 1 1 A 34 34 VAL H H 34 7.886 7.879 0.007 1
1 300 . 8 1 1 A 34 34 VAL CA C 34 64.069 65.865 -1.796 1
1 301 . 8 1 1 A 34 34 VAL HA H 34 3.900 3.609 0.291 1
1 302 . 8 1 1 A 34 34 VAL CB C 34 31.122 31.347 -0.225 1
1 312 . 8 1 1 A 34 34 VAL C C 34 177.295 177.338 -0.043 1
1 313 . 8 1 1 A 35 35 HIS N N 35 117.224 116.651 0.573 1
1 314 . 8 1 1 A 35 35 HIS H H 35 7.217 7.755 -0.538 1
1 315 . 8 1 1 A 35 35 HIS CA C 35 55.233 56.183 -0.950 1
1 316 . 8 1 1 A 35 35 HIS HA H 35 4.864 4.655 0.209 1
1 317 . 8 1 1 A 35 35 HIS CB C 35 28.692 29.210 -0.518 1
1 324 . 8 1 1 A 35 35 HIS C C 35 175.824 175.676 0.148 1
1 325 . 8 1 1 A 36 36 THR N N 36 111.706 115.067 -3.361 1
1 326 . 8 1 1 A 36 36 THR H H 36 7.770 7.929 -0.159 1
1 327 . 8 1 1 A 36 36 THR CA C 36 62.523 65.118 -2.595 1
1 328 . 8 1 1 A 36 36 THR HA H 36 4.347 4.090 0.257 1
1 329 . 8 1 1 A 36 36 THR CB C 36 69.863 68.716 1.147 1
1 335 . 8 1 1 A 36 36 THR C C 36 175.637 174.581 1.056 1
1 336 . 8 1 1 A 37 37 GLY N N 37 110.627 108.235 2.392 1
1 337 . 8 1 1 A 37 37 GLY H H 37 8.221 7.757 0.464 1
1 338 . 8 1 1 A 37 37 GLY CA C 37 45.344 45.848 -0.504 1
1 339 . 8 1 1 A 37 37 GLY HA2 H 37 4.018 4.015 0.003 1
1 340 . 8 1 1 A 37 37 GLY HA3 H 37 3.943 4.024 -0.081 1
1 341 . 8 1 1 A 37 37 GLY C C 37 174.070 172.115 1.955 1
1 342 . 8 1 1 A 38 38 GLU N N 38 120.538 123.959 -3.421 1
1 343 . 8 1 1 A 38 38 GLU H H 38 8.081 8.694 -0.613 1
1 344 . 8 1 1 A 38 38 GLU CA C 38 56.425 55.091 1.334 1
1 345 . 8 1 1 A 38 38 GLU HA H 38 4.240 4.433 -0.193 1
1 346 . 8 1 1 A 38 38 GLU CB C 38 30.510 28.028 2.482 1
1 352 . 8 1 1 A 38 38 GLU C C 38 176.244 176.434 -0.190 1
1 353 . 8 1 1 A 39 39 LYS N N 39 123.780 119.202 4.578 1
1 354 . 8 1 1 A 39 39 LYS H H 39 8.381 7.904 0.477 1
1 355 . 8 1 1 A 39 39 LYS CA C 39 54.135 57.174 -3.039 1
1 356 . 8 1 1 A 39 39 LYS HA H 39 4.593 3.894 0.699 1
1 357 . 8 1 1 A 39 39 LYS CB C 39 32.496 31.037 1.459 1
1 369 . 8 1 1 A 39 39 LYS C C 39 174.521 175.542 -1.021 1
1 370 . 8 1 1 A 40 40 PRO CA C 40 63.225 62.713 0.512 1
1 371 . 8 1 1 A 40 40 PRO HA H 40 4.452 4.453 -0.001 1
1 372 . 8 1 1 A 40 40 PRO CB C 40 32.181 32.152 0.029 1
1 381 . 8 1 1 A 40 40 PRO C C 40 176.999 177.306 -0.307 1
1 382 . 8 1 1 A 41 41 SER N N 41 116.501 113.632 2.869 1
1 383 . 8 1 1 A 41 41 SER H H 41 8.466 8.687 -0.221 1
1 384 . 8 1 1 A 41 41 SER CA C 41 58.367 59.527 -1.160 1
1 385 . 8 1 1 A 41 41 SER HA H 41 4.512 4.489 0.023 1
1 386 . 8 1 1 A 41 41 SER CB C 41 63.986 63.317 0.669 1
1 388 . 8 1 1 A 41 41 SER C C 41 174.682 175.116 -0.434 1
1 389 . 8 1 1 A 42 42 GLY CA C 42 44.661 45.157 -0.496 1
1 390 . 8 1 1 A 42 42 GLY HA2 H 42 4.099 4.040 0.059 1
1 391 . 8 1 1 A 42 42 GLY HA3 H 42 4.147 4.043 0.104 1
1 392 . 8 1 1 A 43 43 PRO CA C 43 63.240 63.020 0.220 1
1 393 . 8 1 1 A 43 43 PRO HA H 43 4.463 4.436 0.027 1
1 394 . 8 1 1 A 43 43 PRO CB C 43 32.179 30.816 1.363 1
1 403 . 8 1 1 A 45 45 SER CA C 45 58.420 57.445 0.975 1
1 404 . 8 1 1 A 45 45 SER HA H 45 4.496 4.821 -0.325 1
1 405 . 8 1 1 A 45 45 SER CB C 45 63.789 65.695 -1.906 1
1 407 . 8 1 1 A 45 45 SER C C 45 173.912 174.402 -0.490 1
1 1 . 9 1 1 A 9 9 GLY CA C 9 45.161 45.777 -0.616 1
1 2 . 9 1 1 A 9 9 GLY HA2 H 9 3.930 4.086 -0.156 1
1 3 . 9 1 1 A 9 9 GLY C C 9 174.105 174.705 -0.600 1
1 4 . 9 1 1 A 10 10 GLU N N 10 120.165 120.822 -0.657 1
1 5 . 9 1 1 A 10 10 GLU H H 10 8.176 7.803 0.373 1
1 6 . 9 1 1 A 10 10 GLU CA C 10 56.826 57.118 -0.292 1
1 7 . 9 1 1 A 10 10 GLU HA H 10 4.181 4.292 -0.111 1
1 8 . 9 1 1 A 10 10 GLU CB C 10 30.258 30.734 -0.476 1
1 14 . 9 1 1 A 10 10 GLU C C 10 176.388 175.394 0.994 1
1 15 . 9 1 1 A 11 11 LYS N N 11 121.439 120.628 0.811 1
1 16 . 9 1 1 A 11 11 LYS H H 11 8.315 8.296 0.019 1
1 17 . 9 1 1 A 11 11 LYS CA C 11 53.977 53.015 0.962 1
1 18 . 9 1 1 A 11 11 LYS HA H 11 4.539 4.779 -0.240 1
1 19 . 9 1 1 A 11 11 LYS CB C 11 33.584 34.015 -0.431 1
1 31 . 9 1 1 A 11 11 LYS C C 11 174.251 176.076 -1.825 1
1 32 . 9 1 1 A 12 12 PRO CA C 12 63.666 64.942 -1.276 1
1 33 . 9 1 1 A 12 12 PRO HA H 12 4.244 4.253 -0.009 1
1 34 . 9 1 1 A 12 12 PRO CB C 12 32.293 31.622 0.671 1
1 43 . 9 1 1 A 12 12 PRO C C 12 176.348 176.299 0.049 1
1 44 . 9 1 1 A 13 13 PHE N N 13 117.694 117.618 0.076 1
1 45 . 9 1 1 A 13 13 PHE H H 13 7.752 7.729 0.023 1
1 46 . 9 1 1 A 13 13 PHE CA C 13 57.418 58.055 -0.637 1
1 47 . 9 1 1 A 13 13 PHE HA H 13 4.709 4.718 -0.009 1
1 48 . 9 1 1 A 13 13 PHE CB C 13 39.785 39.606 0.179 1
1 61 . 9 1 1 A 13 13 PHE C C 13 174.405 176.163 -1.758 1
1 62 . 9 1 1 A 14 14 GLN N N 14 124.070 121.253 2.817 1
1 63 . 9 1 1 A 14 14 GLN H H 14 8.923 8.727 0.196 1
1 64 . 9 1 1 A 14 14 GLN CA C 14 54.279 54.234 0.045 1
1 65 . 9 1 1 A 14 14 GLN HA H 14 5.160 5.397 -0.237 1
1 66 . 9 1 1 A 14 14 GLN CB C 14 32.341 32.620 -0.279 1
1 75 . 9 1 1 A 14 14 GLN C C 14 173.888 174.749 -0.861 1
1 76 . 9 1 1 A 15 15 CYS N N 15 117.013 123.413 -6.400 1
1 77 . 9 1 1 A 15 15 CYS H H 15 9.281 9.213 0.068 1
1 78 . 9 1 1 A 15 15 CYS CA C 15 59.545 59.206 0.339 1
1 79 . 9 1 1 A 15 15 CYS HA H 15 4.571 4.619 -0.048 1
1 80 . 9 1 1 A 15 15 CYS CB C 15 29.720 28.858 0.862 1
1 83 . 9 1 1 A 15 15 CYS C C 15 177.248 174.675 2.573 1
1 84 . 9 1 1 A 16 16 GLU N N 16 121.917 124.069 -2.152 1
1 85 . 9 1 1 A 16 16 GLU H H 16 9.724 8.937 0.787 1
1 86 . 9 1 1 A 16 16 GLU CA C 16 58.765 57.211 1.554 1
1 87 . 9 1 1 A 16 16 GLU HA H 16 4.143 4.468 -0.325 1
1 88 . 9 1 1 A 16 16 GLU CB C 16 29.678 31.259 -1.581 1
1 94 . 9 1 1 A 16 16 GLU C C 16 177.332 178.077 -0.745 1
1 95 . 9 1 1 A 17 17 GLU N N 17 125.342 117.662 7.680 1
1 96 . 9 1 1 A 17 17 GLU H H 17 7.948 8.088 -0.140 1
1 97 . 9 1 1 A 17 17 GLU CA C 17 58.478 58.033 0.445 1
1 98 . 9 1 1 A 17 17 GLU HA H 17 4.195 4.233 -0.038 1
1 99 . 9 1 1 A 17 17 GLU CB C 17 29.553 30.345 -0.792 1
1 105 . 9 1 1 A 17 17 GLU C C 17 176.702 177.806 -1.104 1
1 106 . 9 1 1 A 18 18 CYS N N 18 120.318 115.087 5.231 1
1 107 . 9 1 1 A 18 18 CYS H H 18 8.582 7.837 0.745 1
1 108 . 9 1 1 A 18 18 CYS CA C 18 58.297 58.585 -0.288 1
1 109 . 9 1 1 A 18 18 CYS HA H 18 5.188 4.643 0.545 1
1 110 . 9 1 1 A 18 18 CYS CB C 18 32.633 29.587 3.046 1
1 113 . 9 1 1 A 18 18 CYS C C 18 176.394 175.880 0.514 1
1 114 . 9 1 1 A 19 19 GLY N N 19 113.672 110.818 2.854 1
1 115 . 9 1 1 A 19 19 GLY H H 19 8.197 8.138 0.059 1
1 116 . 9 1 1 A 19 19 GLY CA C 19 46.144 47.176 -1.032 1
1 117 . 9 1 1 A 19 19 GLY HA2 H 19 4.273 3.928 0.345 1
1 118 . 9 1 1 A 19 19 GLY HA3 H 19 3.815 3.959 -0.144 1
1 119 . 9 1 1 A 19 19 GLY C C 19 174.170 174.741 -0.571 1
1 120 . 9 1 1 A 20 20 LYS N N 20 123.697 119.209 4.488 1
1 121 . 9 1 1 A 20 20 LYS H H 20 8.041 8.172 -0.131 1
1 122 . 9 1 1 A 20 20 LYS CA C 20 58.531 55.634 2.897 1
1 123 . 9 1 1 A 20 20 LYS HA H 20 3.945 4.461 -0.516 1
1 124 . 9 1 1 A 20 20 LYS CB C 20 33.689 33.926 -0.237 1
1 136 . 9 1 1 A 20 20 LYS C C 20 174.434 175.542 -1.108 1
1 137 . 9 1 1 A 21 21 ARG N N 21 119.834 118.866 0.968 1
1 138 . 9 1 1 A 21 21 ARG H H 21 7.850 7.702 0.148 1
1 139 . 9 1 1 A 21 21 ARG CA C 21 54.746 54.208 0.538 1
1 140 . 9 1 1 A 21 21 ARG HA H 21 5.181 5.034 0.147 1
1 141 . 9 1 1 A 21 21 ARG CB C 21 33.630 33.413 0.217 1
1 150 . 9 1 1 A 21 21 ARG C C 21 175.430 174.408 1.022 1
1 151 . 9 1 1 A 22 22 PHE N N 22 116.396 121.333 -4.937 1
1 152 . 9 1 1 A 22 22 PHE H H 22 8.788 8.510 0.278 1
1 153 . 9 1 1 A 22 22 PHE CA C 22 57.095 57.102 -0.007 1
1 154 . 9 1 1 A 22 22 PHE HA H 22 4.895 4.857 0.038 1
1 155 . 9 1 1 A 22 22 PHE CB C 22 44.347 43.130 1.217 1
1 168 . 9 1 1 A 22 22 PHE C C 22 175.617 175.799 -0.182 1
1 169 . 9 1 1 A 23 23 THR N N 23 112.933 118.392 -5.459 1
1 170 . 9 1 1 A 23 23 THR H H 23 9.631 8.678 0.953 1
1 171 . 9 1 1 A 23 23 THR CA C 23 64.070 64.320 -0.250 1
1 172 . 9 1 1 A 23 23 THR HA H 23 4.522 4.389 0.133 1
1 173 . 9 1 1 A 23 23 THR CB C 23 69.777 69.852 -0.075 1
1 179 . 9 1 1 A 23 23 THR C C 23 174.715 173.914 0.801 1
1 180 . 9 1 1 A 24 24 GLN N N 24 115.100 120.140 -5.040 1
1 181 . 9 1 1 A 24 24 GLN H H 24 7.065 7.923 -0.858 1
1 182 . 9 1 1 A 24 24 GLN CA C 24 53.879 54.037 -0.158 1
1 183 . 9 1 1 A 24 24 GLN HA H 24 4.636 4.454 0.182 1
1 184 . 9 1 1 A 24 24 GLN CB C 24 31.873 30.686 1.187 1
1 193 . 9 1 1 A 24 24 GLN C C 24 175.862 175.583 0.279 1
1 194 . 9 1 1 A 25 25 ASN CA C 25 55.617 56.330 -0.713 1
1 195 . 9 1 1 A 25 25 ASN HA H 25 3.376 3.633 -0.257 1
1 196 . 9 1 1 A 25 25 ASN CB C 25 38.001 37.767 0.234 1
1 202 . 9 1 1 A 26 26 SER CA C 26 60.922 61.597 -0.675 1
1 203 . 9 1 1 A 26 26 SER HA H 26 4.009 3.973 0.036 1
1 204 . 9 1 1 A 26 26 SER CB C 26 61.595 63.086 -1.491 1
1 207 . 9 1 1 A 26 26 SER C C 26 177.198 177.077 0.121 1
1 208 . 9 1 1 A 27 27 HIS N N 27 121.685 121.382 0.303 1
1 209 . 9 1 1 A 27 27 HIS H H 27 6.680 8.074 -1.394 1
1 210 . 9 1 1 A 27 27 HIS CA C 27 56.723 59.838 -3.115 1
1 211 . 9 1 1 A 27 27 HIS HA H 27 4.500 4.047 0.453 1
1 212 . 9 1 1 A 27 27 HIS CB C 27 31.798 29.756 2.042 1
1 219 . 9 1 1 A 27 27 HIS C C 27 178.161 176.260 1.901 1
1 220 . 9 1 1 A 28 28 LEU N N 28 121.741 119.664 2.077 1
1 221 . 9 1 1 A 28 28 LEU H H 28 6.910 7.241 -0.331 1
1 222 . 9 1 1 A 28 28 LEU CA C 28 57.762 58.003 -0.241 1
1 223 . 9 1 1 A 28 28 LEU HA H 28 3.087 3.043 0.044 1
1 224 . 9 1 1 A 28 28 LEU CB C 28 40.341 41.807 -1.466 1
1 237 . 9 1 1 A 28 28 LEU C C 28 177.649 178.270 -0.621 1
1 238 . 9 1 1 A 29 29 HIS N N 29 118.276 118.091 0.185 1
1 239 . 9 1 1 A 29 29 HIS H H 29 8.195 8.234 -0.039 1
1 240 . 9 1 1 A 29 29 HIS CA C 29 59.210 59.504 -0.294 1
1 241 . 9 1 1 A 29 29 HIS HA H 29 4.387 4.162 0.225 1
1 242 . 9 1 1 A 29 29 HIS CB C 29 29.860 30.022 -0.162 1
1 249 . 9 1 1 A 29 29 HIS C C 29 178.599 177.700 0.899 1
1 250 . 9 1 1 A 30 30 SER N N 30 113.782 114.062 -0.280 1
1 251 . 9 1 1 A 30 30 SER H H 30 7.957 8.019 -0.062 1
1 252 . 9 1 1 A 30 30 SER CA C 30 61.487 61.354 0.133 1
1 253 . 9 1 1 A 30 30 SER HA H 30 4.135 4.106 0.029 1
1 254 . 9 1 1 A 30 30 SER CB C 30 62.677 62.705 -0.028 1
1 257 . 9 1 1 A 30 30 SER C C 30 176.976 176.876 0.100 1
1 258 . 9 1 1 A 31 31 HIS N N 31 121.068 121.447 -0.379 1
1 259 . 9 1 1 A 31 31 HIS H H 31 7.669 8.288 -0.619 1
1 260 . 9 1 1 A 31 31 HIS CA C 31 58.850 59.936 -1.086 1
1 261 . 9 1 1 A 31 31 HIS HA H 31 4.253 3.973 0.280 1
1 262 . 9 1 1 A 31 31 HIS CB C 31 28.477 29.855 -1.378 1
1 269 . 9 1 1 A 31 31 HIS C C 31 175.956 177.203 -1.247 1
1 270 . 9 1 1 A 32 32 GLN N N 32 115.453 118.095 -2.642 1
1 271 . 9 1 1 A 32 32 GLN H H 32 8.123 8.455 -0.332 1
1 272 . 9 1 1 A 32 32 GLN CA C 32 59.264 59.085 0.179 1
1 273 . 9 1 1 A 32 32 GLN HA H 32 3.659 3.901 -0.242 1
1 274 . 9 1 1 A 32 32 GLN CB C 32 28.152 28.175 -0.023 1
1 283 . 9 1 1 A 32 32 GLN C C 32 177.332 178.324 -0.992 1
1 284 . 9 1 1 A 33 33 ARG N N 33 117.364 118.321 -0.957 1
1 285 . 9 1 1 A 33 33 ARG H H 33 7.077 8.472 -1.395 1
1 286 . 9 1 1 A 33 33 ARG CA C 33 58.389 58.547 -0.158 1
1 287 . 9 1 1 A 33 33 ARG HA H 33 4.131 4.081 0.050 1
1 288 . 9 1 1 A 33 33 ARG CB C 33 29.966 29.475 0.491 1
1 297 . 9 1 1 A 33 33 ARG C C 33 178.497 177.272 1.225 1
1 298 . 9 1 1 A 34 34 VAL N N 34 116.278 115.740 0.538 1
1 299 . 9 1 1 A 34 34 VAL H H 34 7.886 7.643 0.243 1
1 300 . 9 1 1 A 34 34 VAL CA C 34 64.069 64.321 -0.252 1
1 301 . 9 1 1 A 34 34 VAL HA H 34 3.900 3.754 0.146 1
1 302 . 9 1 1 A 34 34 VAL CB C 34 31.122 31.054 0.068 1
1 312 . 9 1 1 A 34 34 VAL C C 34 177.295 176.448 0.847 1
1 313 . 9 1 1 A 35 35 HIS N N 35 117.224 119.506 -2.282 1
1 314 . 9 1 1 A 35 35 HIS H H 35 7.217 7.629 -0.412 1
1 315 . 9 1 1 A 35 35 HIS CA C 35 55.233 55.040 0.193 1
1 316 . 9 1 1 A 35 35 HIS HA H 35 4.864 4.836 0.028 1
1 317 . 9 1 1 A 35 35 HIS CB C 35 28.692 29.826 -1.134 1
1 324 . 9 1 1 A 35 35 HIS C C 35 175.824 175.717 0.107 1
1 325 . 9 1 1 A 36 36 THR N N 36 111.706 113.374 -1.668 1
1 326 . 9 1 1 A 36 36 THR H H 36 7.770 8.251 -0.481 1
1 327 . 9 1 1 A 36 36 THR CA C 36 62.523 64.249 -1.726 1
1 328 . 9 1 1 A 36 36 THR HA H 36 4.347 4.093 0.254 1
1 329 . 9 1 1 A 36 36 THR CB C 36 69.863 69.078 0.785 1
1 335 . 9 1 1 A 36 36 THR C C 36 175.637 174.974 0.663 1
1 336 . 9 1 1 A 37 37 GLY N N 37 110.627 108.643 1.984 1
1 337 . 9 1 1 A 37 37 GLY H H 37 8.221 7.378 0.843 1
1 338 . 9 1 1 A 37 37 GLY CA C 37 45.344 45.722 -0.378 1
1 339 . 9 1 1 A 37 37 GLY HA2 H 37 4.018 4.081 -0.063 1
1 340 . 9 1 1 A 37 37 GLY HA3 H 37 3.943 4.090 -0.147 1
1 341 . 9 1 1 A 37 37 GLY C C 37 174.070 171.974 2.096 1
1 342 . 9 1 1 A 38 38 GLU N N 38 120.538 123.495 -2.957 1
1 343 . 9 1 1 A 38 38 GLU H H 38 8.081 9.254 -1.173 1
1 344 . 9 1 1 A 38 38 GLU CA C 38 56.425 54.441 1.984 1
1 345 . 9 1 1 A 38 38 GLU HA H 38 4.240 5.083 -0.843 1
1 346 . 9 1 1 A 38 38 GLU CB C 38 30.510 33.656 -3.146 1
1 352 . 9 1 1 A 38 38 GLU C C 38 176.244 174.423 1.821 1
1 353 . 9 1 1 A 39 39 LYS N N 39 123.780 122.799 0.981 1
1 354 . 9 1 1 A 39 39 LYS H H 39 8.381 8.800 -0.419 1
1 355 . 9 1 1 A 39 39 LYS CA C 39 54.135 52.949 1.186 1
1 356 . 9 1 1 A 39 39 LYS HA H 39 4.593 4.924 -0.331 1
1 357 . 9 1 1 A 39 39 LYS CB C 39 32.496 35.747 -3.251 1
1 369 . 9 1 1 A 39 39 LYS C C 39 174.521 175.450 -0.929 1
1 370 . 9 1 1 A 40 40 PRO CA C 40 63.225 62.485 0.740 1
1 371 . 9 1 1 A 40 40 PRO HA H 40 4.452 4.641 -0.189 1
1 372 . 9 1 1 A 40 40 PRO CB C 40 32.181 33.010 -0.829 1
1 381 . 9 1 1 A 40 40 PRO C C 40 176.999 175.176 1.823 1
1 382 . 9 1 1 A 41 41 SER N N 41 116.501 116.273 0.228 1
1 383 . 9 1 1 A 41 41 SER H H 41 8.466 8.602 -0.136 1
1 384 . 9 1 1 A 41 41 SER CA C 41 58.367 56.610 1.757 1
1 385 . 9 1 1 A 41 41 SER HA H 41 4.512 4.930 -0.418 1
1 386 . 9 1 1 A 41 41 SER CB C 41 63.986 65.683 -1.697 1
1 388 . 9 1 1 A 41 41 SER C C 41 174.682 173.307 1.375 1
1 389 . 9 1 1 A 42 42 GLY CA C 42 44.661 45.847 -1.186 1
1 390 . 9 1 1 A 42 42 GLY HA2 H 42 4.099 4.039 0.060 1
1 391 . 9 1 1 A 42 42 GLY HA3 H 42 4.147 4.039 0.108 1
1 392 . 9 1 1 A 43 43 PRO CA C 43 63.240 65.337 -2.097 1
1 393 . 9 1 1 A 43 43 PRO HA H 43 4.463 4.288 0.175 1
1 394 . 9 1 1 A 43 43 PRO CB C 43 32.179 30.924 1.255 1
1 403 . 9 1 1 A 45 45 SER CA C 45 58.420 58.567 -0.147 1
1 404 . 9 1 1 A 45 45 SER HA H 45 4.496 4.320 0.176 1
1 405 . 9 1 1 A 45 45 SER CB C 45 63.789 63.925 -0.136 1
1 407 . 9 1 1 A 45 45 SER C C 45 173.912 175.939 -2.027 1
1 1 . 10 1 1 A 9 9 GLY CA C 9 45.161 45.612 -0.451 1
1 2 . 10 1 1 A 9 9 GLY HA2 H 9 3.930 4.186 -0.256 1
1 3 . 10 1 1 A 9 9 GLY C C 9 174.105 172.549 1.556 1
1 4 . 10 1 1 A 10 10 GLU N N 10 120.165 116.518 3.647 1
1 5 . 10 1 1 A 10 10 GLU H H 10 8.176 8.356 -0.180 1
1 6 . 10 1 1 A 10 10 GLU CA C 10 56.826 55.320 1.506 1
1 7 . 10 1 1 A 10 10 GLU HA H 10 4.181 4.811 -0.630 1
1 8 . 10 1 1 A 10 10 GLU CB C 10 30.258 32.420 -2.162 1
1 14 . 10 1 1 A 10 10 GLU C C 10 176.388 173.943 2.445 1
1 15 . 10 1 1 A 11 11 LYS N N 11 121.439 119.302 2.137 1
1 16 . 10 1 1 A 11 11 LYS H H 11 8.315 8.486 -0.171 1
1 17 . 10 1 1 A 11 11 LYS CA C 11 53.977 53.132 0.845 1
1 18 . 10 1 1 A 11 11 LYS HA H 11 4.539 4.712 -0.173 1
1 19 . 10 1 1 A 11 11 LYS CB C 11 33.584 34.710 -1.126 1
1 31 . 10 1 1 A 11 11 LYS C C 11 174.251 176.202 -1.951 1
1 32 . 10 1 1 A 12 12 PRO CA C 12 63.666 64.710 -1.044 1
1 33 . 10 1 1 A 12 12 PRO HA H 12 4.244 4.235 0.009 1
1 34 . 10 1 1 A 12 12 PRO CB C 12 32.293 31.439 0.854 1
1 43 . 10 1 1 A 12 12 PRO C C 12 176.348 176.079 0.269 1
1 44 . 10 1 1 A 13 13 PHE N N 13 117.694 117.537 0.157 1
1 45 . 10 1 1 A 13 13 PHE H H 13 7.752 7.694 0.058 1
1 46 . 10 1 1 A 13 13 PHE CA C 13 57.418 56.862 0.556 1
1 47 . 10 1 1 A 13 13 PHE HA H 13 4.709 4.834 -0.125 1
1 48 . 10 1 1 A 13 13 PHE CB C 13 39.785 38.959 0.826 1
1 61 . 10 1 1 A 13 13 PHE C C 13 174.405 175.394 -0.989 1
1 62 . 10 1 1 A 14 14 GLN N N 14 124.070 122.840 1.230 1
1 63 . 10 1 1 A 14 14 GLN H H 14 8.923 8.866 0.057 1
1 64 . 10 1 1 A 14 14 GLN CA C 14 54.279 53.825 0.454 1
1 65 . 10 1 1 A 14 14 GLN HA H 14 5.160 5.396 -0.236 1
1 66 . 10 1 1 A 14 14 GLN CB C 14 32.341 32.358 -0.017 1
1 75 . 10 1 1 A 14 14 GLN C C 14 173.888 174.766 -0.878 1
1 76 . 10 1 1 A 15 15 CYS N N 15 117.013 122.491 -5.478 1
1 77 . 10 1 1 A 15 15 CYS H H 15 9.281 9.096 0.185 1
1 78 . 10 1 1 A 15 15 CYS CA C 15 59.545 59.072 0.473 1
1 79 . 10 1 1 A 15 15 CYS HA H 15 4.571 4.748 -0.177 1
1 80 . 10 1 1 A 15 15 CYS CB C 15 29.720 28.978 0.742 1
1 83 . 10 1 1 A 15 15 CYS C C 15 177.248 175.046 2.202 1
1 84 . 10 1 1 A 16 16 GLU N N 16 121.917 123.785 -1.868 1
1 85 . 10 1 1 A 16 16 GLU H H 16 9.724 9.152 0.572 1
1 86 . 10 1 1 A 16 16 GLU CA C 16 58.765 56.552 2.213 1
1 87 . 10 1 1 A 16 16 GLU HA H 16 4.143 4.698 -0.555 1
1 88 . 10 1 1 A 16 16 GLU CB C 16 29.678 31.037 -1.359 1
1 94 . 10 1 1 A 16 16 GLU C C 16 177.332 177.106 0.226 1
1 95 . 10 1 1 A 17 17 GLU N N 17 125.342 119.407 5.935 1
1 96 . 10 1 1 A 17 17 GLU H H 17 7.948 8.168 -0.220 1
1 97 . 10 1 1 A 17 17 GLU CA C 17 58.478 58.282 0.196 1
1 98 . 10 1 1 A 17 17 GLU HA H 17 4.195 4.199 -0.004 1
1 99 . 10 1 1 A 17 17 GLU CB C 17 29.553 29.859 -0.306 1
1 105 . 10 1 1 A 17 17 GLU C C 17 176.702 177.339 -0.637 1
1 106 . 10 1 1 A 18 18 CYS N N 18 120.318 115.646 4.672 1
1 107 . 10 1 1 A 18 18 CYS H H 18 8.582 7.887 0.695 1
1 108 . 10 1 1 A 18 18 CYS CA C 18 58.297 58.589 -0.292 1
1 109 . 10 1 1 A 18 18 CYS HA H 18 5.188 4.647 0.541 1
1 110 . 10 1 1 A 18 18 CYS CB C 18 32.633 30.173 2.460 1
1 113 . 10 1 1 A 18 18 CYS C C 18 176.394 175.841 0.553 1
1 114 . 10 1 1 A 19 19 GLY N N 19 113.672 110.680 2.992 1
1 115 . 10 1 1 A 19 19 GLY H H 19 8.197 8.122 0.075 1
1 116 . 10 1 1 A 19 19 GLY CA C 19 46.144 47.080 -0.936 1
1 117 . 10 1 1 A 19 19 GLY HA2 H 19 4.273 3.941 0.332 1
1 118 . 10 1 1 A 19 19 GLY HA3 H 19 3.815 3.968 -0.153 1
1 119 . 10 1 1 A 19 19 GLY C C 19 174.170 174.597 -0.427 1
1 120 . 10 1 1 A 20 20 LYS N N 20 123.697 119.092 4.605 1
1 121 . 10 1 1 A 20 20 LYS H H 20 8.041 8.174 -0.133 1
1 122 . 10 1 1 A 20 20 LYS CA C 20 58.531 55.325 3.206 1
1 123 . 10 1 1 A 20 20 LYS HA H 20 3.945 4.508 -0.563 1
1 124 . 10 1 1 A 20 20 LYS CB C 20 33.689 33.951 -0.262 1
1 136 . 10 1 1 A 20 20 LYS C C 20 174.434 175.552 -1.118 1
1 137 . 10 1 1 A 21 21 ARG N N 21 119.834 118.985 0.849 1
1 138 . 10 1 1 A 21 21 ARG H H 21 7.850 7.980 -0.130 1
1 139 . 10 1 1 A 21 21 ARG CA C 21 54.746 54.548 0.198 1
1 140 . 10 1 1 A 21 21 ARG HA H 21 5.181 5.011 0.170 1
1 141 . 10 1 1 A 21 21 ARG CB C 21 33.630 33.043 0.587 1
1 150 . 10 1 1 A 21 21 ARG C C 21 175.430 174.477 0.953 1
1 151 . 10 1 1 A 22 22 PHE N N 22 116.396 122.627 -6.231 1
1 152 . 10 1 1 A 22 22 PHE H H 22 8.788 8.591 0.197 1
1 153 . 10 1 1 A 22 22 PHE CA C 22 57.095 56.969 0.126 1
1 154 . 10 1 1 A 22 22 PHE HA H 22 4.895 4.776 0.119 1
1 155 . 10 1 1 A 22 22 PHE CB C 22 44.347 42.761 1.586 1
1 168 . 10 1 1 A 22 22 PHE C C 22 175.617 175.883 -0.266 1
1 169 . 10 1 1 A 23 23 THR N N 23 112.933 118.191 -5.258 1
1 170 . 10 1 1 A 23 23 THR H H 23 9.631 8.673 0.958 1
1 171 . 10 1 1 A 23 23 THR CA C 23 64.070 63.789 0.281 1
1 172 . 10 1 1 A 23 23 THR HA H 23 4.522 4.408 0.114 1
1 173 . 10 1 1 A 23 23 THR CB C 23 69.777 69.757 0.020 1
1 179 . 10 1 1 A 23 23 THR C C 23 174.715 174.098 0.617 1
1 180 . 10 1 1 A 24 24 GLN N N 24 115.100 118.439 -3.339 1
1 181 . 10 1 1 A 24 24 GLN H H 24 7.065 8.053 -0.988 1
1 182 . 10 1 1 A 24 24 GLN CA C 24 53.879 54.014 -0.135 1
1 183 . 10 1 1 A 24 24 GLN HA H 24 4.636 4.758 -0.122 1
1 184 . 10 1 1 A 24 24 GLN CB C 24 31.873 32.550 -0.677 1
1 193 . 10 1 1 A 24 24 GLN C C 24 175.862 175.608 0.254 1
1 194 . 10 1 1 A 25 25 ASN CA C 25 55.617 55.488 0.129 1
1 195 . 10 1 1 A 25 25 ASN HA H 25 3.376 3.722 -0.346 1
1 196 . 10 1 1 A 25 25 ASN CB C 25 38.001 37.119 0.882 1
1 202 . 10 1 1 A 26 26 SER CA C 26 60.922 61.432 -0.510 1
1 203 . 10 1 1 A 26 26 SER HA H 26 4.009 3.825 0.184 1
1 204 . 10 1 1 A 26 26 SER CB C 26 61.595 62.889 -1.294 1
1 207 . 10 1 1 A 26 26 SER C C 26 177.198 177.120 0.078 1
1 208 . 10 1 1 A 27 27 HIS N N 27 121.685 119.457 2.228 1
1 209 . 10 1 1 A 27 27 HIS H H 27 6.680 7.626 -0.946 1
1 210 . 10 1 1 A 27 27 HIS CA C 27 56.723 58.547 -1.824 1
1 211 . 10 1 1 A 27 27 HIS HA H 27 4.500 4.241 0.259 1
1 212 . 10 1 1 A 27 27 HIS CB C 27 31.798 29.364 2.434 1
1 219 . 10 1 1 A 27 27 HIS C C 27 178.161 177.350 0.811 1
1 220 . 10 1 1 A 28 28 LEU N N 28 121.741 120.339 1.402 1
1 221 . 10 1 1 A 28 28 LEU H H 28 6.910 7.982 -1.072 1
1 222 . 10 1 1 A 28 28 LEU CA C 28 57.762 57.594 0.168 1
1 223 . 10 1 1 A 28 28 LEU HA H 28 3.087 3.388 -0.301 1
1 224 . 10 1 1 A 28 28 LEU CB C 28 40.341 41.459 -1.118 1
1 237 . 10 1 1 A 28 28 LEU C C 28 177.649 178.672 -1.023 1
1 238 . 10 1 1 A 29 29 HIS N N 29 118.276 118.503 -0.227 1
1 239 . 10 1 1 A 29 29 HIS H H 29 8.195 7.785 0.410 1
1 240 . 10 1 1 A 29 29 HIS CA C 29 59.210 59.430 -0.220 1
1 241 . 10 1 1 A 29 29 HIS HA H 29 4.387 4.212 0.175 1
1 242 . 10 1 1 A 29 29 HIS CB C 29 29.860 29.842 0.018 1
1 249 . 10 1 1 A 29 29 HIS C C 29 178.599 177.735 0.864 1
1 250 . 10 1 1 A 30 30 SER N N 30 113.782 115.506 -1.724 1
1 251 . 10 1 1 A 30 30 SER H H 30 7.957 8.115 -0.158 1
1 252 . 10 1 1 A 30 30 SER CA C 30 61.487 62.452 -0.965 1
1 253 . 10 1 1 A 30 30 SER HA H 30 4.135 4.132 0.003 1
1 254 . 10 1 1 A 30 30 SER CB C 30 62.677 63.101 -0.424 1
1 257 . 10 1 1 A 30 30 SER C C 30 176.976 175.569 1.407 1
1 258 . 10 1 1 A 31 31 HIS N N 31 121.068 121.895 -0.827 1
1 259 . 10 1 1 A 31 31 HIS H H 31 7.669 8.147 -0.478 1
1 260 . 10 1 1 A 31 31 HIS CA C 31 58.850 60.063 -1.213 1
1 261 . 10 1 1 A 31 31 HIS HA H 31 4.253 4.071 0.182 1
1 262 . 10 1 1 A 31 31 HIS CB C 31 28.477 29.810 -1.333 1
1 269 . 10 1 1 A 31 31 HIS C C 31 175.956 177.161 -1.205 1
1 270 . 10 1 1 A 32 32 GLN N N 32 115.453 118.141 -2.688 1
1 271 . 10 1 1 A 32 32 GLN H H 32 8.123 8.211 -0.088 1
1 272 . 10 1 1 A 32 32 GLN CA C 32 59.264 59.316 -0.052 1
1 273 . 10 1 1 A 32 32 GLN HA H 32 3.659 3.970 -0.311 1
1 274 . 10 1 1 A 32 32 GLN CB C 32 28.152 28.526 -0.374 1
1 283 . 10 1 1 A 32 32 GLN C C 32 177.332 178.754 -1.422 1
1 284 . 10 1 1 A 33 33 ARG N N 33 117.364 119.341 -1.977 1
1 285 . 10 1 1 A 33 33 ARG H H 33 7.077 7.904 -0.827 1
1 286 . 10 1 1 A 33 33 ARG CA C 33 58.389 58.531 -0.142 1
1 287 . 10 1 1 A 33 33 ARG HA H 33 4.131 4.068 0.063 1
1 288 . 10 1 1 A 33 33 ARG CB C 33 29.966 29.950 0.016 1
1 297 . 10 1 1 A 33 33 ARG C C 33 178.497 178.849 -0.352 1
1 298 . 10 1 1 A 34 34 VAL N N 34 116.278 119.131 -2.853 1
1 299 . 10 1 1 A 34 34 VAL H H 34 7.886 7.689 0.197 1
1 300 . 10 1 1 A 34 34 VAL CA C 34 64.069 64.845 -0.776 1
1 301 . 10 1 1 A 34 34 VAL HA H 34 3.900 3.696 0.204 1
1 302 . 10 1 1 A 34 34 VAL CB C 34 31.122 30.807 0.315 1
1 312 . 10 1 1 A 34 34 VAL C C 34 177.295 176.533 0.762 1
1 313 . 10 1 1 A 35 35 HIS N N 35 117.224 117.485 -0.261 1
1 314 . 10 1 1 A 35 35 HIS H H 35 7.217 7.736 -0.519 1
1 315 . 10 1 1 A 35 35 HIS CA C 35 55.233 55.415 -0.182 1
1 316 . 10 1 1 A 35 35 HIS HA H 35 4.864 4.766 0.098 1
1 317 . 10 1 1 A 35 35 HIS CB C 35 28.692 29.997 -1.305 1
1 324 . 10 1 1 A 35 35 HIS C C 35 175.824 174.897 0.927 1
1 325 . 10 1 1 A 36 36 THR N N 36 111.706 113.165 -1.459 1
1 326 . 10 1 1 A 36 36 THR H H 36 7.770 7.839 -0.069 1
1 327 . 10 1 1 A 36 36 THR CA C 36 62.523 62.763 -0.240 1
1 328 . 10 1 1 A 36 36 THR HA H 36 4.347 4.096 0.251 1
1 329 . 10 1 1 A 36 36 THR CB C 36 69.863 69.007 0.856 1
1 335 . 10 1 1 A 36 36 THR C C 36 175.637 174.642 0.995 1
1 336 . 10 1 1 A 37 37 GLY N N 37 110.627 112.146 -1.519 1
1 337 . 10 1 1 A 37 37 GLY H H 37 8.221 8.548 -0.327 1
1 338 . 10 1 1 A 37 37 GLY CA C 37 45.344 45.825 -0.481 1
1 339 . 10 1 1 A 37 37 GLY HA2 H 37 4.018 4.212 -0.194 1
1 340 . 10 1 1 A 37 37 GLY HA3 H 37 3.943 4.219 -0.276 1
1 341 . 10 1 1 A 37 37 GLY C C 37 174.070 172.952 1.118 1
1 342 . 10 1 1 A 38 38 GLU N N 38 120.538 122.542 -2.004 1
1 343 . 10 1 1 A 38 38 GLU H H 38 8.081 8.903 -0.822 1
1 344 . 10 1 1 A 38 38 GLU CA C 38 56.425 55.162 1.263 1
1 345 . 10 1 1 A 38 38 GLU HA H 38 4.240 4.617 -0.377 1
1 346 . 10 1 1 A 38 38 GLU CB C 38 30.510 30.669 -0.159 1
1 352 . 10 1 1 A 38 38 GLU C C 38 176.244 174.863 1.381 1
1 353 . 10 1 1 A 39 39 LYS N N 39 123.780 117.644 6.136 1
1 354 . 10 1 1 A 39 39 LYS H H 39 8.381 7.557 0.824 1
1 355 . 10 1 1 A 39 39 LYS CA C 39 54.135 53.998 0.137 1
1 356 . 10 1 1 A 39 39 LYS HA H 39 4.593 4.858 -0.265 1
1 357 . 10 1 1 A 39 39 LYS CB C 39 32.496 35.341 -2.845 1
1 369 . 10 1 1 A 39 39 LYS C C 39 174.521 174.202 0.319 1
1 370 . 10 1 1 A 40 40 PRO CA C 40 63.225 62.296 0.929 1
1 371 . 10 1 1 A 40 40 PRO HA H 40 4.452 4.604 -0.152 1
1 372 . 10 1 1 A 40 40 PRO CB C 40 32.181 33.313 -1.132 1
1 381 . 10 1 1 A 40 40 PRO C C 40 176.999 177.457 -0.458 1
1 382 . 10 1 1 A 41 41 SER N N 41 116.501 116.381 0.120 1
1 383 . 10 1 1 A 41 41 SER H H 41 8.466 8.775 -0.309 1
1 384 . 10 1 1 A 41 41 SER CA C 41 58.367 60.598 -2.231 1
1 385 . 10 1 1 A 41 41 SER HA H 41 4.512 4.129 0.383 1
1 386 . 10 1 1 A 41 41 SER CB C 41 63.986 63.154 0.832 1
1 388 . 10 1 1 A 41 41 SER C C 41 174.682 174.845 -0.163 1
1 389 . 10 1 1 A 42 42 GLY CA C 42 44.661 46.959 -2.298 1
1 390 . 10 1 1 A 42 42 GLY HA2 H 42 4.099 3.897 0.202 1
1 391 . 10 1 1 A 42 42 GLY HA3 H 42 4.147 3.897 0.250 1
1 392 . 10 1 1 A 43 43 PRO CA C 43 63.240 63.832 -0.592 1
1 393 . 10 1 1 A 43 43 PRO HA H 43 4.463 4.454 0.009 1
1 394 . 10 1 1 A 43 43 PRO CB C 43 32.179 32.088 0.091 1
1 403 . 10 1 1 A 45 45 SER CA C 45 58.420 58.997 -0.577 1
1 404 . 10 1 1 A 45 45 SER HA H 45 4.496 4.390 0.106 1
1 405 . 10 1 1 A 45 45 SER CB C 45 63.789 63.809 -0.020 1
1 407 . 10 1 1 A 45 45 SER C C 45 173.912 175.055 -1.143 1
1 1 . 11 1 1 A 9 9 GLY CA C 9 45.161 47.261 -2.100 1
1 2 . 11 1 1 A 9 9 GLY HA2 H 9 3.930 3.861 0.069 1
1 3 . 11 1 1 A 9 9 GLY C C 9 174.105 175.478 -1.373 1
1 4 . 11 1 1 A 10 10 GLU N N 10 120.165 119.411 0.754 1
1 5 . 11 1 1 A 10 10 GLU H H 10 8.176 7.929 0.247 1
1 6 . 11 1 1 A 10 10 GLU CA C 10 56.826 56.837 -0.011 1
1 7 . 11 1 1 A 10 10 GLU HA H 10 4.181 4.293 -0.112 1
1 8 . 11 1 1 A 10 10 GLU CB C 10 30.258 30.580 -0.322 1
1 14 . 11 1 1 A 10 10 GLU C C 10 176.388 175.425 0.963 1
1 15 . 11 1 1 A 11 11 LYS N N 11 121.439 120.483 0.956 1
1 16 . 11 1 1 A 11 11 LYS H H 11 8.315 8.440 -0.125 1
1 17 . 11 1 1 A 11 11 LYS CA C 11 53.977 53.111 0.866 1
1 18 . 11 1 1 A 11 11 LYS HA H 11 4.539 4.724 -0.185 1
1 19 . 11 1 1 A 11 11 LYS CB C 11 33.584 34.594 -1.010 1
1 31 . 11 1 1 A 11 11 LYS C C 11 174.251 176.159 -1.908 1
1 32 . 11 1 1 A 12 12 PRO CA C 12 63.666 64.802 -1.136 1
1 33 . 11 1 1 A 12 12 PRO HA H 12 4.244 4.220 0.024 1
1 34 . 11 1 1 A 12 12 PRO CB C 12 32.293 31.570 0.723 1
1 43 . 11 1 1 A 12 12 PRO C C 12 176.348 176.093 0.255 1
1 44 . 11 1 1 A 13 13 PHE N N 13 117.694 117.610 0.084 1
1 45 . 11 1 1 A 13 13 PHE H H 13 7.752 7.678 0.074 1
1 46 . 11 1 1 A 13 13 PHE CA C 13 57.418 57.147 0.271 1
1 47 . 11 1 1 A 13 13 PHE HA H 13 4.709 4.752 -0.043 1
1 48 . 11 1 1 A 13 13 PHE CB C 13 39.785 38.261 1.524 1
1 61 . 11 1 1 A 13 13 PHE C C 13 174.405 175.452 -1.047 1
1 62 . 11 1 1 A 14 14 GLN N N 14 124.070 122.941 1.129 1
1 63 . 11 1 1 A 14 14 GLN H H 14 8.923 8.918 0.005 1
1 64 . 11 1 1 A 14 14 GLN CA C 14 54.279 53.983 0.296 1
1 65 . 11 1 1 A 14 14 GLN HA H 14 5.160 5.395 -0.235 1
1 66 . 11 1 1 A 14 14 GLN CB C 14 32.341 31.913 0.428 1
1 75 . 11 1 1 A 14 14 GLN C C 14 173.888 175.116 -1.228 1
1 76 . 11 1 1 A 15 15 CYS N N 15 117.013 123.449 -6.436 1
1 77 . 11 1 1 A 15 15 CYS H H 15 9.281 9.107 0.174 1
1 78 . 11 1 1 A 15 15 CYS CA C 15 59.545 59.114 0.431 1
1 79 . 11 1 1 A 15 15 CYS HA H 15 4.571 4.729 -0.158 1
1 80 . 11 1 1 A 15 15 CYS CB C 15 29.720 28.920 0.800 1
1 83 . 11 1 1 A 15 15 CYS C C 15 177.248 174.679 2.569 1
1 84 . 11 1 1 A 16 16 GLU N N 16 121.917 124.134 -2.217 1
1 85 . 11 1 1 A 16 16 GLU H H 16 9.724 8.901 0.823 1
1 86 . 11 1 1 A 16 16 GLU CA C 16 58.765 57.069 1.696 1
1 87 . 11 1 1 A 16 16 GLU HA H 16 4.143 4.504 -0.361 1
1 88 . 11 1 1 A 16 16 GLU CB C 16 29.678 31.319 -1.641 1
1 94 . 11 1 1 A 16 16 GLU C C 16 177.332 177.883 -0.551 1
1 95 . 11 1 1 A 17 17 GLU N N 17 125.342 119.287 6.055 1
1 96 . 11 1 1 A 17 17 GLU H H 17 7.948 8.111 -0.163 1
1 97 . 11 1 1 A 17 17 GLU CA C 17 58.478 58.105 0.373 1
1 98 . 11 1 1 A 17 17 GLU HA H 17 4.195 4.139 0.056 1
1 99 . 11 1 1 A 17 17 GLU CB C 17 29.553 29.709 -0.156 1
1 105 . 11 1 1 A 17 17 GLU C C 17 176.702 177.291 -0.589 1
1 106 . 11 1 1 A 18 18 CYS N N 18 120.318 115.135 5.183 1
1 107 . 11 1 1 A 18 18 CYS H H 18 8.582 7.841 0.741 1
1 108 . 11 1 1 A 18 18 CYS CA C 18 58.297 58.570 -0.273 1
1 109 . 11 1 1 A 18 18 CYS HA H 18 5.188 4.641 0.547 1
1 110 . 11 1 1 A 18 18 CYS CB C 18 32.633 30.066 2.567 1
1 113 . 11 1 1 A 18 18 CYS C C 18 176.394 175.764 0.630 1
1 114 . 11 1 1 A 19 19 GLY N N 19 113.672 110.778 2.894 1
1 115 . 11 1 1 A 19 19 GLY H H 19 8.197 8.101 0.096 1
1 116 . 11 1 1 A 19 19 GLY CA C 19 46.144 47.115 -0.971 1
1 117 . 11 1 1 A 19 19 GLY HA2 H 19 4.273 3.945 0.328 1
1 118 . 11 1 1 A 19 19 GLY HA3 H 19 3.815 3.979 -0.164 1
1 119 . 11 1 1 A 19 19 GLY C C 19 174.170 174.567 -0.397 1
1 120 . 11 1 1 A 20 20 LYS N N 20 123.697 119.100 4.597 1
1 121 . 11 1 1 A 20 20 LYS H H 20 8.041 8.179 -0.138 1
1 122 . 11 1 1 A 20 20 LYS CA C 20 58.531 55.348 3.183 1
1 123 . 11 1 1 A 20 20 LYS HA H 20 3.945 4.530 -0.585 1
1 124 . 11 1 1 A 20 20 LYS CB C 20 33.689 34.034 -0.345 1
1 136 . 11 1 1 A 20 20 LYS C C 20 174.434 175.545 -1.111 1
1 137 . 11 1 1 A 21 21 ARG N N 21 119.834 118.818 1.016 1
1 138 . 11 1 1 A 21 21 ARG H H 21 7.850 7.940 -0.090 1
1 139 . 11 1 1 A 21 21 ARG CA C 21 54.746 54.568 0.178 1
1 140 . 11 1 1 A 21 21 ARG HA H 21 5.181 4.965 0.216 1
1 141 . 11 1 1 A 21 21 ARG CB C 21 33.630 32.821 0.809 1
1 150 . 11 1 1 A 21 21 ARG C C 21 175.430 174.596 0.834 1
1 151 . 11 1 1 A 22 22 PHE N N 22 116.396 122.264 -5.868 1
1 152 . 11 1 1 A 22 22 PHE H H 22 8.788 8.454 0.334 1
1 153 . 11 1 1 A 22 22 PHE CA C 22 57.095 56.859 0.236 1
1 154 . 11 1 1 A 22 22 PHE HA H 22 4.895 4.929 -0.034 1
1 155 . 11 1 1 A 22 22 PHE CB C 22 44.347 43.160 1.187 1
1 168 . 11 1 1 A 22 22 PHE C C 22 175.617 175.958 -0.341 1
1 169 . 11 1 1 A 23 23 THR N N 23 112.933 114.885 -1.952 1
1 170 . 11 1 1 A 23 23 THR H H 23 9.631 8.569 1.062 1
1 171 . 11 1 1 A 23 23 THR CA C 23 64.070 65.440 -1.370 1
1 172 . 11 1 1 A 23 23 THR HA H 23 4.522 4.288 0.234 1
1 173 . 11 1 1 A 23 23 THR CB C 23 69.777 68.862 0.915 1
1 179 . 11 1 1 A 23 23 THR C C 23 174.715 174.530 0.185 1
1 180 . 11 1 1 A 24 24 GLN N N 24 115.100 119.509 -4.409 1
1 181 . 11 1 1 A 24 24 GLN H H 24 7.065 7.739 -0.674 1
1 182 . 11 1 1 A 24 24 GLN CA C 24 53.879 54.106 -0.227 1
1 183 . 11 1 1 A 24 24 GLN HA H 24 4.636 4.524 0.112 1
1 184 . 11 1 1 A 24 24 GLN CB C 24 31.873 31.031 0.842 1
1 193 . 11 1 1 A 24 24 GLN C C 24 175.862 176.197 -0.335 1
1 194 . 11 1 1 A 25 25 ASN CA C 25 55.617 55.558 0.059 1
1 195 . 11 1 1 A 25 25 ASN HA H 25 3.376 3.839 -0.463 1
1 196 . 11 1 1 A 25 25 ASN CB C 25 38.001 36.926 1.075 1
1 202 . 11 1 1 A 26 26 SER CA C 26 60.922 61.663 -0.741 1
1 203 . 11 1 1 A 26 26 SER HA H 26 4.009 3.848 0.161 1
1 204 . 11 1 1 A 26 26 SER CB C 26 61.595 63.000 -1.405 1
1 207 . 11 1 1 A 26 26 SER C C 26 177.198 176.883 0.315 1
1 208 . 11 1 1 A 27 27 HIS N N 27 121.685 119.361 2.324 1
1 209 . 11 1 1 A 27 27 HIS H H 27 6.680 8.262 -1.582 1
1 210 . 11 1 1 A 27 27 HIS CA C 27 56.723 58.532 -1.809 1
1 211 . 11 1 1 A 27 27 HIS HA H 27 4.500 4.274 0.226 1
1 212 . 11 1 1 A 27 27 HIS CB C 27 31.798 29.406 2.392 1
1 219 . 11 1 1 A 27 27 HIS C C 27 178.161 177.479 0.682 1
1 220 . 11 1 1 A 28 28 LEU N N 28 121.741 120.414 1.327 1
1 221 . 11 1 1 A 28 28 LEU H H 28 6.910 8.139 -1.229 1
1 222 . 11 1 1 A 28 28 LEU CA C 28 57.762 57.774 -0.012 1
1 223 . 11 1 1 A 28 28 LEU HA H 28 3.087 3.424 -0.337 1
1 224 . 11 1 1 A 28 28 LEU CB C 28 40.341 41.785 -1.444 1
1 237 . 11 1 1 A 28 28 LEU C C 28 177.649 178.622 -0.973 1
1 238 . 11 1 1 A 29 29 HIS N N 29 118.276 118.185 0.091 1
1 239 . 11 1 1 A 29 29 HIS H H 29 8.195 8.513 -0.318 1
1 240 . 11 1 1 A 29 29 HIS CA C 29 59.210 59.193 0.017 1
1 241 . 11 1 1 A 29 29 HIS HA H 29 4.387 4.338 0.049 1
1 242 . 11 1 1 A 29 29 HIS CB C 29 29.860 29.744 0.116 1
1 249 . 11 1 1 A 29 29 HIS C C 29 178.599 177.476 1.123 1
1 250 . 11 1 1 A 30 30 SER N N 30 113.782 115.139 -1.357 1
1 251 . 11 1 1 A 30 30 SER H H 30 7.957 8.058 -0.101 1
1 252 . 11 1 1 A 30 30 SER CA C 30 61.487 61.352 0.135 1
1 253 . 11 1 1 A 30 30 SER HA H 30 4.135 4.111 0.024 1
1 254 . 11 1 1 A 30 30 SER CB C 30 62.677 62.578 0.099 1
1 257 . 11 1 1 A 30 30 SER C C 30 176.976 176.888 0.088 1
1 258 . 11 1 1 A 31 31 HIS N N 31 121.068 121.545 -0.477 1
1 259 . 11 1 1 A 31 31 HIS H H 31 7.669 8.306 -0.637 1
1 260 . 11 1 1 A 31 31 HIS CA C 31 58.850 60.182 -1.332 1
1 261 . 11 1 1 A 31 31 HIS HA H 31 4.253 3.982 0.271 1
1 262 . 11 1 1 A 31 31 HIS CB C 31 28.477 29.744 -1.267 1
1 269 . 11 1 1 A 31 31 HIS C C 31 175.956 176.775 -0.819 1
1 270 . 11 1 1 A 32 32 GLN N N 32 115.453 117.289 -1.836 1
1 271 . 11 1 1 A 32 32 GLN H H 32 8.123 8.515 -0.392 1
1 272 . 11 1 1 A 32 32 GLN CA C 32 59.264 59.041 0.223 1
1 273 . 11 1 1 A 32 32 GLN HA H 32 3.659 3.809 -0.150 1
1 274 . 11 1 1 A 32 32 GLN CB C 32 28.152 28.262 -0.110 1
1 283 . 11 1 1 A 32 32 GLN C C 32 177.332 178.773 -1.441 1
1 284 . 11 1 1 A 33 33 ARG N N 33 117.364 120.168 -2.804 1
1 285 . 11 1 1 A 33 33 ARG H H 33 7.077 8.425 -1.348 1
1 286 . 11 1 1 A 33 33 ARG CA C 33 58.389 58.940 -0.551 1
1 287 . 11 1 1 A 33 33 ARG HA H 33 4.131 3.935 0.196 1
1 288 . 11 1 1 A 33 33 ARG CB C 33 29.966 29.925 0.041 1
1 297 . 11 1 1 A 33 33 ARG C C 33 178.497 178.583 -0.086 1
1 298 . 11 1 1 A 34 34 VAL N N 34 116.278 116.779 -0.501 1
1 299 . 11 1 1 A 34 34 VAL H H 34 7.886 7.834 0.052 1
1 300 . 11 1 1 A 34 34 VAL CA C 34 64.069 65.334 -1.265 1
1 301 . 11 1 1 A 34 34 VAL HA H 34 3.900 3.634 0.266 1
1 302 . 11 1 1 A 34 34 VAL CB C 34 31.122 30.719 0.403 1
1 312 . 11 1 1 A 34 34 VAL C C 34 177.295 177.145 0.150 1
1 313 . 11 1 1 A 35 35 HIS N N 35 117.224 119.312 -2.088 1
1 314 . 11 1 1 A 35 35 HIS H H 35 7.217 7.756 -0.539 1
1 315 . 11 1 1 A 35 35 HIS CA C 35 55.233 55.839 -0.606 1
1 316 . 11 1 1 A 35 35 HIS HA H 35 4.864 4.628 0.236 1
1 317 . 11 1 1 A 35 35 HIS CB C 35 28.692 29.298 -0.606 1
1 324 . 11 1 1 A 35 35 HIS C C 35 175.824 175.648 0.176 1
1 325 . 11 1 1 A 36 36 THR N N 36 111.706 114.771 -3.065 1
1 326 . 11 1 1 A 36 36 THR H H 36 7.770 8.022 -0.252 1
1 327 . 11 1 1 A 36 36 THR CA C 36 62.523 64.072 -1.549 1
1 328 . 11 1 1 A 36 36 THR HA H 36 4.347 4.116 0.231 1
1 329 . 11 1 1 A 36 36 THR CB C 36 69.863 69.732 0.131 1
1 335 . 11 1 1 A 36 36 THR C C 36 175.637 174.671 0.966 1
1 336 . 11 1 1 A 37 37 GLY N N 37 110.627 109.028 1.599 1
1 337 . 11 1 1 A 37 37 GLY H H 37 8.221 7.927 0.294 1
1 338 . 11 1 1 A 37 37 GLY CA C 37 45.344 45.981 -0.637 1
1 339 . 11 1 1 A 37 37 GLY HA2 H 37 4.018 4.013 0.005 1
1 340 . 11 1 1 A 37 37 GLY HA3 H 37 3.943 4.022 -0.079 1
1 341 . 11 1 1 A 37 37 GLY C C 37 174.070 173.840 0.230 1
1 342 . 11 1 1 A 38 38 GLU N N 38 120.538 120.779 -0.241 1
1 343 . 11 1 1 A 38 38 GLU H H 38 8.081 7.954 0.127 1
1 344 . 11 1 1 A 38 38 GLU CA C 38 56.425 54.962 1.463 1
1 345 . 11 1 1 A 38 38 GLU HA H 38 4.240 5.008 -0.768 1
1 346 . 11 1 1 A 38 38 GLU CB C 38 30.510 33.112 -2.602 1
1 352 . 11 1 1 A 38 38 GLU C C 38 176.244 174.812 1.432 1
1 353 . 11 1 1 A 39 39 LYS N N 39 123.780 122.798 0.982 1
1 354 . 11 1 1 A 39 39 LYS H H 39 8.381 8.865 -0.484 1
1 355 . 11 1 1 A 39 39 LYS CA C 39 54.135 54.761 -0.626 1
1 356 . 11 1 1 A 39 39 LYS HA H 39 4.593 4.866 -0.273 1
1 357 . 11 1 1 A 39 39 LYS CB C 39 32.496 35.735 -3.239 1
1 369 . 11 1 1 A 39 39 LYS C C 39 174.521 173.342 1.179 1
1 370 . 11 1 1 A 40 40 PRO CA C 40 63.225 62.682 0.543 1
1 371 . 11 1 1 A 40 40 PRO HA H 40 4.452 4.734 -0.282 1
1 372 . 11 1 1 A 40 40 PRO CB C 40 32.181 31.849 0.332 1
1 381 . 11 1 1 A 40 40 PRO C C 40 176.999 177.561 -0.562 1
1 382 . 11 1 1 A 41 41 SER N N 41 116.501 118.793 -2.292 1
1 383 . 11 1 1 A 41 41 SER H H 41 8.466 8.688 -0.222 1
1 384 . 11 1 1 A 41 41 SER CA C 41 58.367 59.061 -0.694 1
1 385 . 11 1 1 A 41 41 SER HA H 41 4.512 4.352 0.160 1
1 386 . 11 1 1 A 41 41 SER CB C 41 63.986 63.628 0.358 1
1 388 . 11 1 1 A 41 41 SER C C 41 174.682 174.547 0.135 1
1 389 . 11 1 1 A 42 42 GLY CA C 42 44.661 44.917 -0.256 1
1 390 . 11 1 1 A 42 42 GLY HA2 H 42 4.099 3.940 0.159 1
1 391 . 11 1 1 A 42 42 GLY HA3 H 42 4.147 3.940 0.207 1
1 392 . 11 1 1 A 43 43 PRO CA C 43 63.240 64.889 -1.649 1
1 393 . 11 1 1 A 43 43 PRO HA H 43 4.463 4.411 0.052 1
1 394 . 11 1 1 A 43 43 PRO CB C 43 32.179 32.147 0.032 1
1 403 . 11 1 1 A 45 45 SER CA C 45 58.420 58.925 -0.505 1
1 404 . 11 1 1 A 45 45 SER HA H 45 4.496 4.135 0.361 1
1 405 . 11 1 1 A 45 45 SER CB C 45 63.789 61.996 1.793 1
1 407 . 11 1 1 A 45 45 SER C C 45 173.912 174.812 -0.900 1
1 1 . 12 1 1 A 9 9 GLY CA C 9 45.161 46.824 -1.663 1
1 2 . 12 1 1 A 9 9 GLY HA2 H 9 3.930 3.911 0.019 1
1 3 . 12 1 1 A 9 9 GLY C C 9 174.105 174.669 -0.564 1
1 4 . 12 1 1 A 10 10 GLU N N 10 120.165 120.840 -0.675 1
1 5 . 12 1 1 A 10 10 GLU H H 10 8.176 8.094 0.082 1
1 6 . 12 1 1 A 10 10 GLU CA C 10 56.826 56.605 0.221 1
1 7 . 12 1 1 A 10 10 GLU HA H 10 4.181 4.232 -0.051 1
1 8 . 12 1 1 A 10 10 GLU CB C 10 30.258 29.318 0.940 1
1 14 . 12 1 1 A 10 10 GLU C C 10 176.388 176.118 0.270 1
1 15 . 12 1 1 A 11 11 LYS N N 11 121.439 125.775 -4.336 1
1 16 . 12 1 1 A 11 11 LYS H H 11 8.315 8.359 -0.044 1
1 17 . 12 1 1 A 11 11 LYS CA C 11 53.977 55.225 -1.248 1
1 18 . 12 1 1 A 11 11 LYS HA H 11 4.539 4.292 0.247 1
1 19 . 12 1 1 A 11 11 LYS CB C 11 33.584 32.047 1.537 1
1 31 . 12 1 1 A 11 11 LYS C C 11 174.251 176.855 -2.604 1
1 32 . 12 1 1 A 12 12 PRO CA C 12 63.666 64.922 -1.256 1
1 33 . 12 1 1 A 12 12 PRO HA H 12 4.244 4.273 -0.029 1
1 34 . 12 1 1 A 12 12 PRO CB C 12 32.293 31.504 0.789 1
1 43 . 12 1 1 A 12 12 PRO C C 12 176.348 176.215 0.133 1
1 44 . 12 1 1 A 13 13 PHE N N 13 117.694 117.600 0.094 1
1 45 . 12 1 1 A 13 13 PHE H H 13 7.752 7.588 0.164 1
1 46 . 12 1 1 A 13 13 PHE CA C 13 57.418 58.013 -0.595 1
1 47 . 12 1 1 A 13 13 PHE HA H 13 4.709 4.686 0.023 1
1 48 . 12 1 1 A 13 13 PHE CB C 13 39.785 39.337 0.448 1
1 61 . 12 1 1 A 13 13 PHE C C 13 174.405 176.198 -1.793 1
1 62 . 12 1 1 A 14 14 GLN N N 14 124.070 121.993 2.077 1
1 63 . 12 1 1 A 14 14 GLN H H 14 8.923 8.803 0.120 1
1 64 . 12 1 1 A 14 14 GLN CA C 14 54.279 53.877 0.402 1
1 65 . 12 1 1 A 14 14 GLN HA H 14 5.160 5.329 -0.169 1
1 66 . 12 1 1 A 14 14 GLN CB C 14 32.341 32.367 -0.026 1
1 75 . 12 1 1 A 14 14 GLN C C 14 173.888 174.734 -0.846 1
1 76 . 12 1 1 A 15 15 CYS N N 15 117.013 123.638 -6.625 1
1 77 . 12 1 1 A 15 15 CYS H H 15 9.281 9.197 0.084 1
1 78 . 12 1 1 A 15 15 CYS CA C 15 59.545 59.160 0.385 1
1 79 . 12 1 1 A 15 15 CYS HA H 15 4.571 4.673 -0.102 1
1 80 . 12 1 1 A 15 15 CYS CB C 15 29.720 28.899 0.821 1
1 83 . 12 1 1 A 15 15 CYS C C 15 177.248 174.643 2.605 1
1 84 . 12 1 1 A 16 16 GLU N N 16 121.917 124.137 -2.220 1
1 85 . 12 1 1 A 16 16 GLU H H 16 9.724 9.001 0.723 1
1 86 . 12 1 1 A 16 16 GLU CA C 16 58.765 57.026 1.739 1
1 87 . 12 1 1 A 16 16 GLU HA H 16 4.143 4.502 -0.359 1
1 88 . 12 1 1 A 16 16 GLU CB C 16 29.678 31.515 -1.837 1
1 94 . 12 1 1 A 16 16 GLU C C 16 177.332 177.990 -0.658 1
1 95 . 12 1 1 A 17 17 GLU N N 17 125.342 119.223 6.119 1
1 96 . 12 1 1 A 17 17 GLU H H 17 7.948 8.206 -0.258 1
1 97 . 12 1 1 A 17 17 GLU CA C 17 58.478 58.105 0.373 1
1 98 . 12 1 1 A 17 17 GLU HA H 17 4.195 4.187 0.008 1
1 99 . 12 1 1 A 17 17 GLU CB C 17 29.553 29.758 -0.205 1
1 105 . 12 1 1 A 17 17 GLU C C 17 176.702 177.410 -0.708 1
1 106 . 12 1 1 A 18 18 CYS N N 18 120.318 115.575 4.743 1
1 107 . 12 1 1 A 18 18 CYS H H 18 8.582 7.956 0.626 1
1 108 . 12 1 1 A 18 18 CYS CA C 18 58.297 58.713 -0.416 1
1 109 . 12 1 1 A 18 18 CYS HA H 18 5.188 4.688 0.500 1
1 110 . 12 1 1 A 18 18 CYS CB C 18 32.633 30.416 2.217 1
1 113 . 12 1 1 A 18 18 CYS C C 18 176.394 176.123 0.271 1
1 114 . 12 1 1 A 19 19 GLY N N 19 113.672 110.571 3.101 1
1 115 . 12 1 1 A 19 19 GLY H H 19 8.197 8.294 -0.097 1
1 116 . 12 1 1 A 19 19 GLY CA C 19 46.144 46.495 -0.351 1
1 117 . 12 1 1 A 19 19 GLY HA2 H 19 4.273 3.964 0.309 1
1 118 . 12 1 1 A 19 19 GLY HA3 H 19 3.815 3.993 -0.178 1
1 119 . 12 1 1 A 19 19 GLY C C 19 174.170 175.048 -0.878 1
1 120 . 12 1 1 A 20 20 LYS N N 20 123.697 120.372 3.325 1
1 121 . 12 1 1 A 20 20 LYS H H 20 8.041 7.535 0.506 1
1 122 . 12 1 1 A 20 20 LYS CA C 20 58.531 56.407 2.124 1
1 123 . 12 1 1 A 20 20 LYS HA H 20 3.945 4.305 -0.360 1
1 124 . 12 1 1 A 20 20 LYS CB C 20 33.689 33.999 -0.310 1
1 136 . 12 1 1 A 20 20 LYS C C 20 174.434 175.295 -0.861 1
1 137 . 12 1 1 A 21 21 ARG N N 21 119.834 118.890 0.944 1
1 138 . 12 1 1 A 21 21 ARG H H 21 7.850 7.957 -0.107 1
1 139 . 12 1 1 A 21 21 ARG CA C 21 54.746 53.943 0.803 1
1 140 . 12 1 1 A 21 21 ARG HA H 21 5.181 5.302 -0.121 1
1 141 . 12 1 1 A 21 21 ARG CB C 21 33.630 33.769 -0.139 1
1 150 . 12 1 1 A 21 21 ARG C C 21 175.430 174.467 0.963 1
1 151 . 12 1 1 A 22 22 PHE N N 22 116.396 120.090 -3.694 1
1 152 . 12 1 1 A 22 22 PHE H H 22 8.788 8.380 0.408 1
1 153 . 12 1 1 A 22 22 PHE CA C 22 57.095 56.800 0.295 1
1 154 . 12 1 1 A 22 22 PHE HA H 22 4.895 4.865 0.030 1
1 155 . 12 1 1 A 22 22 PHE CB C 22 44.347 43.267 1.080 1
1 168 . 12 1 1 A 22 22 PHE C C 22 175.617 175.526 0.091 1
1 169 . 12 1 1 A 23 23 THR N N 23 112.933 117.860 -4.927 1
1 170 . 12 1 1 A 23 23 THR H H 23 9.631 8.689 0.942 1
1 171 . 12 1 1 A 23 23 THR CA C 23 64.070 63.346 0.724 1
1 172 . 12 1 1 A 23 23 THR HA H 23 4.522 4.544 -0.022 1
1 173 . 12 1 1 A 23 23 THR CB C 23 69.777 69.734 0.043 1
1 179 . 12 1 1 A 23 23 THR C C 23 174.715 173.754 0.961 1
1 180 . 12 1 1 A 24 24 GLN N N 24 115.100 120.838 -5.738 1
1 181 . 12 1 1 A 24 24 GLN H H 24 7.065 7.626 -0.561 1
1 182 . 12 1 1 A 24 24 GLN CA C 24 53.879 54.438 -0.559 1
1 183 . 12 1 1 A 24 24 GLN HA H 24 4.636 4.406 0.230 1
1 184 . 12 1 1 A 24 24 GLN CB C 24 31.873 30.839 1.034 1
1 193 . 12 1 1 A 24 24 GLN C C 24 175.862 175.441 0.421 1
1 194 . 12 1 1 A 25 25 ASN CA C 25 55.617 55.331 0.286 1
1 195 . 12 1 1 A 25 25 ASN HA H 25 3.376 3.419 -0.043 1
1 196 . 12 1 1 A 25 25 ASN CB C 25 38.001 36.972 1.029 1
1 202 . 12 1 1 A 26 26 SER CA C 26 60.922 62.378 -1.456 1
1 203 . 12 1 1 A 26 26 SER HA H 26 4.009 4.145 -0.136 1
1 204 . 12 1 1 A 26 26 SER CB C 26 61.595 63.184 -1.589 1
1 207 . 12 1 1 A 26 26 SER C C 26 177.198 176.396 0.802 1
1 208 . 12 1 1 A 27 27 HIS N N 27 121.685 119.561 2.124 1
1 209 . 12 1 1 A 27 27 HIS H H 27 6.680 8.024 -1.344 1
1 210 . 12 1 1 A 27 27 HIS CA C 27 56.723 58.779 -2.056 1
1 211 . 12 1 1 A 27 27 HIS HA H 27 4.500 4.272 0.228 1
1 212 . 12 1 1 A 27 27 HIS CB C 27 31.798 29.643 2.155 1
1 219 . 12 1 1 A 27 27 HIS C C 27 178.161 177.349 0.812 1
1 220 . 12 1 1 A 28 28 LEU N N 28 121.741 120.484 1.257 1
1 221 . 12 1 1 A 28 28 LEU H H 28 6.910 7.477 -0.567 1
1 222 . 12 1 1 A 28 28 LEU CA C 28 57.762 57.782 -0.020 1
1 223 . 12 1 1 A 28 28 LEU HA H 28 3.087 2.955 0.132 1
1 224 . 12 1 1 A 28 28 LEU CB C 28 40.341 41.490 -1.149 1
1 237 . 12 1 1 A 28 28 LEU C C 28 177.649 178.562 -0.913 1
1 238 . 12 1 1 A 29 29 HIS N N 29 118.276 118.478 -0.202 1
1 239 . 12 1 1 A 29 29 HIS H H 29 8.195 8.022 0.173 1
1 240 . 12 1 1 A 29 29 HIS CA C 29 59.210 59.332 -0.122 1
1 241 . 12 1 1 A 29 29 HIS HA H 29 4.387 4.215 0.172 1
1 242 . 12 1 1 A 29 29 HIS CB C 29 29.860 29.851 0.009 1
1 249 . 12 1 1 A 29 29 HIS C C 29 178.599 177.691 0.908 1
1 250 . 12 1 1 A 30 30 SER N N 30 113.782 115.835 -2.053 1
1 251 . 12 1 1 A 30 30 SER H H 30 7.957 8.178 -0.221 1
1 252 . 12 1 1 A 30 30 SER CA C 30 61.487 62.327 -0.840 1
1 253 . 12 1 1 A 30 30 SER HA H 30 4.135 4.112 0.023 1
1 254 . 12 1 1 A 30 30 SER CB C 30 62.677 63.113 -0.436 1
1 257 . 12 1 1 A 30 30 SER C C 30 176.976 175.661 1.315 1
1 258 . 12 1 1 A 31 31 HIS N N 31 121.068 121.680 -0.612 1
1 259 . 12 1 1 A 31 31 HIS H H 31 7.669 8.149 -0.480 1
1 260 . 12 1 1 A 31 31 HIS CA C 31 58.850 60.082 -1.232 1
1 261 . 12 1 1 A 31 31 HIS HA H 31 4.253 3.997 0.256 1
1 262 . 12 1 1 A 31 31 HIS CB C 31 28.477 29.526 -1.049 1
1 269 . 12 1 1 A 31 31 HIS C C 31 175.956 176.569 -0.613 1
1 270 . 12 1 1 A 32 32 GLN N N 32 115.453 117.272 -1.819 1
1 271 . 12 1 1 A 32 32 GLN H H 32 8.123 8.162 -0.039 1
1 272 . 12 1 1 A 32 32 GLN CA C 32 59.264 59.167 0.097 1
1 273 . 12 1 1 A 32 32 GLN HA H 32 3.659 3.733 -0.074 1
1 274 . 12 1 1 A 32 32 GLN CB C 32 28.152 28.232 -0.080 1
1 283 . 12 1 1 A 32 32 GLN C C 32 177.332 178.617 -1.285 1
1 284 . 12 1 1 A 33 33 ARG N N 33 117.364 119.747 -2.383 1
1 285 . 12 1 1 A 33 33 ARG H H 33 7.077 8.022 -0.945 1
1 286 . 12 1 1 A 33 33 ARG CA C 33 58.389 59.123 -0.734 1
1 287 . 12 1 1 A 33 33 ARG HA H 33 4.131 3.937 0.194 1
1 288 . 12 1 1 A 33 33 ARG CB C 33 29.966 29.861 0.105 1
1 297 . 12 1 1 A 33 33 ARG C C 33 178.497 178.378 0.119 1
1 298 . 12 1 1 A 34 34 VAL N N 34 116.278 117.169 -0.891 1
1 299 . 12 1 1 A 34 34 VAL H H 34 7.886 7.896 -0.010 1
1 300 . 12 1 1 A 34 34 VAL CA C 34 64.069 65.467 -1.398 1
1 301 . 12 1 1 A 34 34 VAL HA H 34 3.900 3.706 0.194 1
1 302 . 12 1 1 A 34 34 VAL CB C 34 31.122 31.097 0.025 1
1 312 . 12 1 1 A 34 34 VAL C C 34 177.295 178.039 -0.744 1
1 313 . 12 1 1 A 35 35 HIS N N 35 117.224 120.281 -3.057 1
1 314 . 12 1 1 A 35 35 HIS H H 35 7.217 7.660 -0.443 1
1 315 . 12 1 1 A 35 35 HIS CA C 35 55.233 59.072 -3.839 1
1 316 . 12 1 1 A 35 35 HIS HA H 35 4.864 4.241 0.623 1
1 317 . 12 1 1 A 35 35 HIS CB C 35 28.692 29.556 -0.864 1
1 324 . 12 1 1 A 35 35 HIS C C 35 175.824 175.129 0.695 1
1 325 . 12 1 1 A 36 36 THR N N 36 111.706 112.283 -0.577 1
1 326 . 12 1 1 A 36 36 THR H H 36 7.770 8.246 -0.476 1
1 327 . 12 1 1 A 36 36 THR CA C 36 62.523 63.057 -0.534 1
1 328 . 12 1 1 A 36 36 THR HA H 36 4.347 3.937 0.410 1
1 329 . 12 1 1 A 36 36 THR CB C 36 69.863 66.564 3.299 1
1 335 . 12 1 1 A 36 36 THR C C 36 175.637 174.982 0.655 1
1 336 . 12 1 1 A 37 37 GLY N N 37 110.627 109.172 1.455 1
1 337 . 12 1 1 A 37 37 GLY H H 37 8.221 8.258 -0.037 1
1 338 . 12 1 1 A 37 37 GLY CA C 37 45.344 46.067 -0.723 1
1 339 . 12 1 1 A 37 37 GLY HA2 H 37 4.018 4.042 -0.024 1
1 340 . 12 1 1 A 37 37 GLY HA3 H 37 3.943 4.046 -0.103 1
1 341 . 12 1 1 A 37 37 GLY C C 37 174.070 173.285 0.785 1
1 342 . 12 1 1 A 38 38 GLU N N 38 120.538 118.543 1.995 1
1 343 . 12 1 1 A 38 38 GLU H H 38 8.081 7.804 0.277 1
1 344 . 12 1 1 A 38 38 GLU CA C 38 56.425 55.124 1.301 1
1 345 . 12 1 1 A 38 38 GLU HA H 38 4.240 4.759 -0.519 1
1 346 . 12 1 1 A 38 38 GLU CB C 38 30.510 32.116 -1.606 1
1 352 . 12 1 1 A 38 38 GLU C C 38 176.244 176.238 0.006 1
1 353 . 12 1 1 A 39 39 LYS N N 39 123.780 125.547 -1.767 1
1 354 . 12 1 1 A 39 39 LYS H H 39 8.381 8.819 -0.438 1
1 355 . 12 1 1 A 39 39 LYS CA C 39 54.135 54.412 -0.277 1
1 356 . 12 1 1 A 39 39 LYS HA H 39 4.593 4.800 -0.207 1
1 357 . 12 1 1 A 39 39 LYS CB C 39 32.496 33.058 -0.562 1
1 369 . 12 1 1 A 39 39 LYS C C 39 174.521 176.316 -1.795 1
1 370 . 12 1 1 A 40 40 PRO CA C 40 63.225 64.376 -1.151 1
1 371 . 12 1 1 A 40 40 PRO HA H 40 4.452 4.465 -0.013 1
1 372 . 12 1 1 A 40 40 PRO CB C 40 32.181 32.211 -0.030 1
1 381 . 12 1 1 A 40 40 PRO C C 40 176.999 175.895 1.104 1
1 382 . 12 1 1 A 41 41 SER N N 41 116.501 108.208 8.293 1
1 383 . 12 1 1 A 41 41 SER H H 41 8.466 7.493 0.973 1
1 384 . 12 1 1 A 41 41 SER CA C 41 58.367 57.740 0.627 1
1 385 . 12 1 1 A 41 41 SER HA H 41 4.512 4.821 -0.309 1
1 386 . 12 1 1 A 41 41 SER CB C 41 63.986 65.933 -1.947 1
1 388 . 12 1 1 A 41 41 SER C C 41 174.682 173.171 1.511 1
1 389 . 12 1 1 A 42 42 GLY CA C 42 44.661 43.885 0.776 1
1 390 . 12 1 1 A 42 42 GLY HA2 H 42 4.099 4.114 -0.015 1
1 391 . 12 1 1 A 42 42 GLY HA3 H 42 4.147 4.115 0.032 1
1 392 . 12 1 1 A 43 43 PRO CA C 43 63.240 62.502 0.738 1
1 393 . 12 1 1 A 43 43 PRO HA H 43 4.463 4.483 -0.020 1
1 394 . 12 1 1 A 43 43 PRO CB C 43 32.179 32.878 -0.699 1
1 403 . 12 1 1 A 45 45 SER CA C 45 58.420 57.355 1.065 1
1 404 . 12 1 1 A 45 45 SER HA H 45 4.496 4.627 -0.131 1
1 405 . 12 1 1 A 45 45 SER CB C 45 63.789 64.986 -1.197 1
1 407 . 12 1 1 A 45 45 SER C C 45 173.912 173.957 -0.045 1
1 1 . 13 1 1 A 9 9 GLY CA C 9 45.161 43.708 1.453 1
1 2 . 13 1 1 A 9 9 GLY HA2 H 9 3.930 4.340 -0.410 1
1 3 . 13 1 1 A 9 9 GLY C C 9 174.105 174.814 -0.709 1
1 4 . 13 1 1 A 10 10 GLU N N 10 120.165 119.765 0.400 1
1 5 . 13 1 1 A 10 10 GLU H H 10 8.176 8.495 -0.319 1
1 6 . 13 1 1 A 10 10 GLU CA C 10 56.826 58.515 -1.689 1
1 7 . 13 1 1 A 10 10 GLU HA H 10 4.181 4.205 -0.024 1
1 8 . 13 1 1 A 10 10 GLU CB C 10 30.258 30.716 -0.458 1
1 14 . 13 1 1 A 10 10 GLU C C 10 176.388 176.873 -0.485 1
1 15 . 13 1 1 A 11 11 LYS N N 11 121.439 118.182 3.257 1
1 16 . 13 1 1 A 11 11 LYS H H 11 8.315 7.883 0.432 1
1 17 . 13 1 1 A 11 11 LYS CA C 11 53.977 53.239 0.738 1
1 18 . 13 1 1 A 11 11 LYS HA H 11 4.539 4.699 -0.160 1
1 19 . 13 1 1 A 11 11 LYS CB C 11 33.584 34.216 -0.632 1
1 31 . 13 1 1 A 11 11 LYS C C 11 174.251 176.044 -1.793 1
1 32 . 13 1 1 A 12 12 PRO CA C 12 63.666 64.757 -1.091 1
1 33 . 13 1 1 A 12 12 PRO HA H 12 4.244 4.272 -0.028 1
1 34 . 13 1 1 A 12 12 PRO CB C 12 32.293 31.535 0.758 1
1 43 . 13 1 1 A 12 12 PRO C C 12 176.348 176.179 0.169 1
1 44 . 13 1 1 A 13 13 PHE N N 13 117.694 118.018 -0.324 1
1 45 . 13 1 1 A 13 13 PHE H H 13 7.752 7.486 0.266 1
1 46 . 13 1 1 A 13 13 PHE CA C 13 57.418 57.515 -0.097 1
1 47 . 13 1 1 A 13 13 PHE HA H 13 4.709 4.933 -0.224 1
1 48 . 13 1 1 A 13 13 PHE CB C 13 39.785 39.910 -0.125 1
1 61 . 13 1 1 A 13 13 PHE C C 13 174.405 175.644 -1.239 1
1 62 . 13 1 1 A 14 14 GLN N N 14 124.070 121.245 2.825 1
1 63 . 13 1 1 A 14 14 GLN H H 14 8.923 8.675 0.248 1
1 64 . 13 1 1 A 14 14 GLN CA C 14 54.279 54.274 0.005 1
1 65 . 13 1 1 A 14 14 GLN HA H 14 5.160 5.294 -0.134 1
1 66 . 13 1 1 A 14 14 GLN CB C 14 32.341 32.898 -0.557 1
1 75 . 13 1 1 A 14 14 GLN C C 14 173.888 174.745 -0.857 1
1 76 . 13 1 1 A 15 15 CYS N N 15 117.013 123.006 -5.993 1
1 77 . 13 1 1 A 15 15 CYS H H 15 9.281 9.119 0.162 1
1 78 . 13 1 1 A 15 15 CYS CA C 15 59.545 59.084 0.461 1
1 79 . 13 1 1 A 15 15 CYS HA H 15 4.571 4.677 -0.106 1
1 80 . 13 1 1 A 15 15 CYS CB C 15 29.720 28.948 0.772 1
1 83 . 13 1 1 A 15 15 CYS C C 15 177.248 174.617 2.631 1
1 84 . 13 1 1 A 16 16 GLU N N 16 121.917 123.970 -2.053 1
1 85 . 13 1 1 A 16 16 GLU H H 16 9.724 8.959 0.765 1
1 86 . 13 1 1 A 16 16 GLU CA C 16 58.765 57.077 1.688 1
1 87 . 13 1 1 A 16 16 GLU HA H 16 4.143 4.497 -0.354 1
1 88 . 13 1 1 A 16 16 GLU CB C 16 29.678 31.628 -1.950 1
1 94 . 13 1 1 A 16 16 GLU C C 16 177.332 178.050 -0.718 1
1 95 . 13 1 1 A 17 17 GLU N N 17 125.342 118.072 7.270 1
1 96 . 13 1 1 A 17 17 GLU H H 17 7.948 8.146 -0.198 1
1 97 . 13 1 1 A 17 17 GLU CA C 17 58.478 57.736 0.742 1
1 98 . 13 1 1 A 17 17 GLU HA H 17 4.195 4.218 -0.023 1
1 99 . 13 1 1 A 17 17 GLU CB C 17 29.553 30.365 -0.812 1
1 105 . 13 1 1 A 17 17 GLU C C 17 176.702 177.740 -1.038 1
1 106 . 13 1 1 A 18 18 CYS N N 18 120.318 115.267 5.051 1
1 107 . 13 1 1 A 18 18 CYS H H 18 8.582 7.812 0.770 1
1 108 . 13 1 1 A 18 18 CYS CA C 18 58.297 58.570 -0.273 1
1 109 . 13 1 1 A 18 18 CYS HA H 18 5.188 4.646 0.542 1
1 110 . 13 1 1 A 18 18 CYS CB C 18 32.633 29.870 2.763 1
1 113 . 13 1 1 A 18 18 CYS C C 18 176.394 175.627 0.767 1
1 114 . 13 1 1 A 19 19 GLY N N 19 113.672 110.942 2.730 1
1 115 . 13 1 1 A 19 19 GLY H H 19 8.197 8.148 0.049 1
1 116 . 13 1 1 A 19 19 GLY CA C 19 46.144 47.130 -0.986 1
1 117 . 13 1 1 A 19 19 GLY HA2 H 19 4.273 3.942 0.331 1
1 118 . 13 1 1 A 19 19 GLY HA3 H 19 3.815 3.977 -0.162 1
1 119 . 13 1 1 A 19 19 GLY C C 19 174.170 174.594 -0.424 1
1 120 . 13 1 1 A 20 20 LYS N N 20 123.697 118.937 4.760 1
1 121 . 13 1 1 A 20 20 LYS H H 20 8.041 8.243 -0.202 1
1 122 . 13 1 1 A 20 20 LYS CA C 20 58.531 55.246 3.285 1
1 123 . 13 1 1 A 20 20 LYS HA H 20 3.945 4.630 -0.685 1
1 124 . 13 1 1 A 20 20 LYS CB C 20 33.689 34.228 -0.539 1
1 136 . 13 1 1 A 20 20 LYS C C 20 174.434 175.559 -1.125 1
1 137 . 13 1 1 A 21 21 ARG N N 21 119.834 118.935 0.899 1
1 138 . 13 1 1 A 21 21 ARG H H 21 7.850 7.967 -0.117 1
1 139 . 13 1 1 A 21 21 ARG CA C 21 54.746 54.748 -0.002 1
1 140 . 13 1 1 A 21 21 ARG HA H 21 5.181 5.176 0.005 1
1 141 . 13 1 1 A 21 21 ARG CB C 21 33.630 32.639 0.991 1
1 150 . 13 1 1 A 21 21 ARG C C 21 175.430 174.635 0.795 1
1 151 . 13 1 1 A 22 22 PHE N N 22 116.396 122.953 -6.557 1
1 152 . 13 1 1 A 22 22 PHE H H 22 8.788 8.812 -0.024 1
1 153 . 13 1 1 A 22 22 PHE CA C 22 57.095 56.981 0.114 1
1 154 . 13 1 1 A 22 22 PHE HA H 22 4.895 4.930 -0.035 1
1 155 . 13 1 1 A 22 22 PHE CB C 22 44.347 43.297 1.050 1
1 168 . 13 1 1 A 22 22 PHE C C 22 175.617 175.867 -0.250 1
1 169 . 13 1 1 A 23 23 THR N N 23 112.933 116.899 -3.966 1
1 170 . 13 1 1 A 23 23 THR H H 23 9.631 8.770 0.861 1
1 171 . 13 1 1 A 23 23 THR CA C 23 64.070 65.231 -1.161 1
1 172 . 13 1 1 A 23 23 THR HA H 23 4.522 4.295 0.227 1
1 173 . 13 1 1 A 23 23 THR CB C 23 69.777 69.614 0.163 1
1 179 . 13 1 1 A 23 23 THR C C 23 174.715 173.840 0.875 1
1 180 . 13 1 1 A 24 24 GLN N N 24 115.100 118.320 -3.220 1
1 181 . 13 1 1 A 24 24 GLN H H 24 7.065 8.081 -1.016 1
1 182 . 13 1 1 A 24 24 GLN CA C 24 53.879 54.336 -0.457 1
1 183 . 13 1 1 A 24 24 GLN HA H 24 4.636 4.818 -0.182 1
1 184 . 13 1 1 A 24 24 GLN CB C 24 31.873 31.144 0.729 1
1 193 . 13 1 1 A 24 24 GLN C C 24 175.862 176.141 -0.279 1
1 194 . 13 1 1 A 25 25 ASN CA C 25 55.617 55.462 0.155 1
1 195 . 13 1 1 A 25 25 ASN HA H 25 3.376 3.702 -0.326 1
1 196 . 13 1 1 A 25 25 ASN CB C 25 38.001 36.518 1.483 1
1 202 . 13 1 1 A 26 26 SER CA C 26 60.922 61.579 -0.657 1
1 203 . 13 1 1 A 26 26 SER HA H 26 4.009 3.817 0.192 1
1 204 . 13 1 1 A 26 26 SER CB C 26 61.595 62.947 -1.352 1
1 207 . 13 1 1 A 26 26 SER C C 26 177.198 177.154 0.044 1
1 208 . 13 1 1 A 27 27 HIS N N 27 121.685 119.480 2.205 1
1 209 . 13 1 1 A 27 27 HIS H H 27 6.680 7.837 -1.157 1
1 210 . 13 1 1 A 27 27 HIS CA C 27 56.723 58.929 -2.206 1
1 211 . 13 1 1 A 27 27 HIS HA H 27 4.500 4.315 0.185 1
1 212 . 13 1 1 A 27 27 HIS CB C 27 31.798 29.578 2.220 1
1 219 . 13 1 1 A 27 27 HIS C C 27 178.161 177.471 0.690 1
1 220 . 13 1 1 A 28 28 LEU N N 28 121.741 120.741 1.000 1
1 221 . 13 1 1 A 28 28 LEU H H 28 6.910 8.008 -1.098 1
1 222 . 13 1 1 A 28 28 LEU CA C 28 57.762 57.687 0.075 1
1 223 . 13 1 1 A 28 28 LEU HA H 28 3.087 3.266 -0.179 1
1 224 . 13 1 1 A 28 28 LEU CB C 28 40.341 41.635 -1.294 1
1 237 . 13 1 1 A 28 28 LEU C C 28 177.649 178.628 -0.979 1
1 238 . 13 1 1 A 29 29 HIS N N 29 118.276 118.199 0.077 1
1 239 . 13 1 1 A 29 29 HIS H H 29 8.195 8.376 -0.181 1
1 240 . 13 1 1 A 29 29 HIS CA C 29 59.210 59.288 -0.078 1
1 241 . 13 1 1 A 29 29 HIS HA H 29 4.387 4.206 0.181 1
1 242 . 13 1 1 A 29 29 HIS CB C 29 29.860 29.814 0.046 1
1 249 . 13 1 1 A 29 29 HIS C C 29 178.599 177.693 0.906 1
1 250 . 13 1 1 A 30 30 SER N N 30 113.782 114.661 -0.879 1
1 251 . 13 1 1 A 30 30 SER H H 30 7.957 7.759 0.198 1
1 252 . 13 1 1 A 30 30 SER CA C 30 61.487 61.237 0.250 1
1 253 . 13 1 1 A 30 30 SER HA H 30 4.135 4.128 0.007 1
1 254 . 13 1 1 A 30 30 SER CB C 30 62.677 62.657 0.020 1
1 257 . 13 1 1 A 30 30 SER C C 30 176.976 176.974 0.002 1
1 258 . 13 1 1 A 31 31 HIS N N 31 121.068 121.320 -0.252 1
1 259 . 13 1 1 A 31 31 HIS H H 31 7.669 7.999 -0.330 1
1 260 . 13 1 1 A 31 31 HIS CA C 31 58.850 60.004 -1.154 1
1 261 . 13 1 1 A 31 31 HIS HA H 31 4.253 4.117 0.136 1
1 262 . 13 1 1 A 31 31 HIS CB C 31 28.477 29.313 -0.836 1
1 269 . 13 1 1 A 31 31 HIS C C 31 175.956 177.116 -1.160 1
1 270 . 13 1 1 A 32 32 GLN N N 32 115.453 117.926 -2.473 1
1 271 . 13 1 1 A 32 32 GLN H H 32 8.123 8.435 -0.312 1
1 272 . 13 1 1 A 32 32 GLN CA C 32 59.264 59.080 0.184 1
1 273 . 13 1 1 A 32 32 GLN HA H 32 3.659 3.989 -0.330 1
1 274 . 13 1 1 A 32 32 GLN CB C 32 28.152 28.243 -0.091 1
1 283 . 13 1 1 A 32 32 GLN C C 32 177.332 178.829 -1.497 1
1 284 . 13 1 1 A 33 33 ARG N N 33 117.364 120.435 -3.071 1
1 285 . 13 1 1 A 33 33 ARG H H 33 7.077 7.878 -0.801 1
1 286 . 13 1 1 A 33 33 ARG CA C 33 58.389 59.197 -0.808 1
1 287 . 13 1 1 A 33 33 ARG HA H 33 4.131 4.389 -0.258 1
1 288 . 13 1 1 A 33 33 ARG CB C 33 29.966 29.949 0.017 1
1 297 . 13 1 1 A 33 33 ARG C C 33 178.497 179.014 -0.517 1
1 298 . 13 1 1 A 34 34 VAL N N 34 116.278 117.307 -1.029 1
1 299 . 13 1 1 A 34 34 VAL H H 34 7.886 7.746 0.140 1
1 300 . 13 1 1 A 34 34 VAL CA C 34 64.069 64.767 -0.698 1
1 301 . 13 1 1 A 34 34 VAL HA H 34 3.900 3.679 0.221 1
1 302 . 13 1 1 A 34 34 VAL CB C 34 31.122 30.847 0.275 1
1 312 . 13 1 1 A 34 34 VAL C C 34 177.295 176.523 0.772 1
1 313 . 13 1 1 A 35 35 HIS N N 35 117.224 118.967 -1.743 1
1 314 . 13 1 1 A 35 35 HIS H H 35 7.217 7.381 -0.164 1
1 315 . 13 1 1 A 35 35 HIS CA C 35 55.233 56.489 -1.256 1
1 316 . 13 1 1 A 35 35 HIS HA H 35 4.864 4.700 0.164 1
1 317 . 13 1 1 A 35 35 HIS CB C 35 28.692 31.569 -2.877 1
1 324 . 13 1 1 A 35 35 HIS C C 35 175.824 175.527 0.297 1
1 325 . 13 1 1 A 36 36 THR N N 36 111.706 114.234 -2.528 1
1 326 . 13 1 1 A 36 36 THR H H 36 7.770 7.552 0.218 1
1 327 . 13 1 1 A 36 36 THR CA C 36 62.523 64.811 -2.288 1
1 328 . 13 1 1 A 36 36 THR HA H 36 4.347 4.002 0.345 1
1 329 . 13 1 1 A 36 36 THR CB C 36 69.863 68.320 1.543 1
1 335 . 13 1 1 A 36 36 THR C C 36 175.637 175.835 -0.198 1
1 336 . 13 1 1 A 37 37 GLY N N 37 110.627 114.998 -4.371 1
1 337 . 13 1 1 A 37 37 GLY H H 37 8.221 8.892 -0.671 1
1 338 . 13 1 1 A 37 37 GLY CA C 37 45.344 46.032 -0.688 1
1 339 . 13 1 1 A 37 37 GLY HA2 H 37 4.018 4.064 -0.046 1
1 340 . 13 1 1 A 37 37 GLY HA3 H 37 3.943 4.067 -0.124 1
1 341 . 13 1 1 A 37 37 GLY C C 37 174.070 174.750 -0.680 1
1 342 . 13 1 1 A 38 38 GLU N N 38 120.538 117.745 2.793 1
1 343 . 13 1 1 A 38 38 GLU H H 38 8.081 8.146 -0.065 1
1 344 . 13 1 1 A 38 38 GLU CA C 38 56.425 55.885 0.540 1
1 345 . 13 1 1 A 38 38 GLU HA H 38 4.240 4.571 -0.331 1
1 346 . 13 1 1 A 38 38 GLU CB C 38 30.510 30.759 -0.249 1
1 352 . 13 1 1 A 38 38 GLU C C 38 176.244 175.276 0.968 1
1 353 . 13 1 1 A 39 39 LYS N N 39 123.780 124.247 -0.467 1
1 354 . 13 1 1 A 39 39 LYS H H 39 8.381 8.826 -0.445 1
1 355 . 13 1 1 A 39 39 LYS CA C 39 54.135 53.043 1.092 1
1 356 . 13 1 1 A 39 39 LYS HA H 39 4.593 4.879 -0.286 1
1 357 . 13 1 1 A 39 39 LYS CB C 39 32.496 35.961 -3.465 1
1 369 . 13 1 1 A 39 39 LYS C C 39 174.521 174.662 -0.141 1
1 370 . 13 1 1 A 40 40 PRO CA C 40 63.225 62.736 0.489 1
1 371 . 13 1 1 A 40 40 PRO HA H 40 4.452 4.662 -0.210 1
1 372 . 13 1 1 A 40 40 PRO CB C 40 32.181 32.048 0.133 1
1 381 . 13 1 1 A 40 40 PRO C C 40 176.999 177.106 -0.107 1
1 382 . 13 1 1 A 41 41 SER N N 41 116.501 118.811 -2.310 1
1 383 . 13 1 1 A 41 41 SER H H 41 8.466 8.492 -0.026 1
1 384 . 13 1 1 A 41 41 SER CA C 41 58.367 58.204 0.163 1
1 385 . 13 1 1 A 41 41 SER HA H 41 4.512 4.801 -0.289 1
1 386 . 13 1 1 A 41 41 SER CB C 41 63.986 64.868 -0.882 1
1 388 . 13 1 1 A 41 41 SER C C 41 174.682 174.349 0.333 1
1 389 . 13 1 1 A 42 42 GLY CA C 42 44.661 46.721 -2.060 1
1 390 . 13 1 1 A 42 42 GLY HA2 H 42 4.099 4.041 0.058 1
1 391 . 13 1 1 A 42 42 GLY HA3 H 42 4.147 4.041 0.106 1
1 392 . 13 1 1 A 43 43 PRO CA C 43 63.240 64.663 -1.423 1
1 393 . 13 1 1 A 43 43 PRO HA H 43 4.463 4.371 0.092 1
1 394 . 13 1 1 A 43 43 PRO CB C 43 32.179 31.349 0.830 1
1 403 . 13 1 1 A 45 45 SER CA C 45 58.420 58.112 0.308 1
1 404 . 13 1 1 A 45 45 SER HA H 45 4.496 4.945 -0.449 1
1 405 . 13 1 1 A 45 45 SER CB C 45 63.789 64.070 -0.281 1
1 407 . 13 1 1 A 45 45 SER C C 45 173.912 174.387 -0.475 1
1 1 . 14 1 1 A 9 9 GLY CA C 9 45.161 46.599 -1.438 1
1 2 . 14 1 1 A 9 9 GLY HA2 H 9 3.930 3.741 0.189 1
1 3 . 14 1 1 A 9 9 GLY C C 9 174.105 175.019 -0.914 1
1 4 . 14 1 1 A 10 10 GLU N N 10 120.165 120.008 0.157 1
1 5 . 14 1 1 A 10 10 GLU H H 10 8.176 8.200 -0.024 1
1 6 . 14 1 1 A 10 10 GLU CA C 10 56.826 57.143 -0.317 1
1 7 . 14 1 1 A 10 10 GLU HA H 10 4.181 3.991 0.190 1
1 8 . 14 1 1 A 10 10 GLU CB C 10 30.258 28.088 2.170 1
1 14 . 14 1 1 A 10 10 GLU C C 10 176.388 175.825 0.563 1
1 15 . 14 1 1 A 11 11 LYS N N 11 121.439 119.806 1.633 1
1 16 . 14 1 1 A 11 11 LYS H H 11 8.315 7.782 0.533 1
1 17 . 14 1 1 A 11 11 LYS CA C 11 53.977 55.348 -1.371 1
1 18 . 14 1 1 A 11 11 LYS HA H 11 4.539 4.269 0.270 1
1 19 . 14 1 1 A 11 11 LYS CB C 11 33.584 32.367 1.217 1
1 31 . 14 1 1 A 11 11 LYS C C 11 174.251 176.873 -2.622 1
1 32 . 14 1 1 A 12 12 PRO CA C 12 63.666 64.767 -1.101 1
1 33 . 14 1 1 A 12 12 PRO HA H 12 4.244 4.353 -0.109 1
1 34 . 14 1 1 A 12 12 PRO CB C 12 32.293 31.632 0.661 1
1 43 . 14 1 1 A 12 12 PRO C C 12 176.348 176.214 0.134 1
1 44 . 14 1 1 A 13 13 PHE N N 13 117.694 117.891 -0.197 1
1 45 . 14 1 1 A 13 13 PHE H H 13 7.752 7.448 0.304 1
1 46 . 14 1 1 A 13 13 PHE CA C 13 57.418 57.483 -0.065 1
1 47 . 14 1 1 A 13 13 PHE HA H 13 4.709 4.781 -0.072 1
1 48 . 14 1 1 A 13 13 PHE CB C 13 39.785 39.559 0.226 1
1 61 . 14 1 1 A 13 13 PHE C C 13 174.405 176.099 -1.694 1
1 62 . 14 1 1 A 14 14 GLN N N 14 124.070 122.029 2.041 1
1 63 . 14 1 1 A 14 14 GLN H H 14 8.923 8.689 0.234 1
1 64 . 14 1 1 A 14 14 GLN CA C 14 54.279 54.231 0.048 1
1 65 . 14 1 1 A 14 14 GLN HA H 14 5.160 5.439 -0.279 1
1 66 . 14 1 1 A 14 14 GLN CB C 14 32.341 32.590 -0.249 1
1 75 . 14 1 1 A 14 14 GLN C C 14 173.888 174.718 -0.830 1
1 76 . 14 1 1 A 15 15 CYS N N 15 117.013 123.727 -6.714 1
1 77 . 14 1 1 A 15 15 CYS H H 15 9.281 9.177 0.104 1
1 78 . 14 1 1 A 15 15 CYS CA C 15 59.545 59.393 0.152 1
1 79 . 14 1 1 A 15 15 CYS HA H 15 4.571 4.636 -0.065 1
1 80 . 14 1 1 A 15 15 CYS CB C 15 29.720 28.837 0.883 1
1 83 . 14 1 1 A 15 15 CYS C C 15 177.248 174.604 2.644 1
1 84 . 14 1 1 A 16 16 GLU N N 16 121.917 124.091 -2.174 1
1 85 . 14 1 1 A 16 16 GLU H H 16 9.724 8.968 0.756 1
1 86 . 14 1 1 A 16 16 GLU CA C 16 58.765 57.005 1.760 1
1 87 . 14 1 1 A 16 16 GLU HA H 16 4.143 4.485 -0.342 1
1 88 . 14 1 1 A 16 16 GLU CB C 16 29.678 31.532 -1.854 1
1 94 . 14 1 1 A 16 16 GLU C C 16 177.332 178.049 -0.717 1
1 95 . 14 1 1 A 17 17 GLU N N 17 125.342 118.050 7.292 1
1 96 . 14 1 1 A 17 17 GLU H H 17 7.948 8.157 -0.209 1
1 97 . 14 1 1 A 17 17 GLU CA C 17 58.478 57.558 0.920 1
1 98 . 14 1 1 A 17 17 GLU HA H 17 4.195 4.224 -0.029 1
1 99 . 14 1 1 A 17 17 GLU CB C 17 29.553 30.247 -0.694 1
1 105 . 14 1 1 A 17 17 GLU C C 17 176.702 177.773 -1.071 1
1 106 . 14 1 1 A 18 18 CYS N N 18 120.318 115.323 4.995 1
1 107 . 14 1 1 A 18 18 CYS H H 18 8.582 7.852 0.730 1
1 108 . 14 1 1 A 18 18 CYS CA C 18 58.297 58.605 -0.308 1
1 109 . 14 1 1 A 18 18 CYS HA H 18 5.188 4.668 0.520 1
1 110 . 14 1 1 A 18 18 CYS CB C 18 32.633 29.726 2.907 1
1 113 . 14 1 1 A 18 18 CYS C C 18 176.394 175.640 0.754 1
1 114 . 14 1 1 A 19 19 GLY N N 19 113.672 110.976 2.696 1
1 115 . 14 1 1 A 19 19 GLY H H 19 8.197 8.157 0.040 1
1 116 . 14 1 1 A 19 19 GLY CA C 19 46.144 47.134 -0.990 1
1 117 . 14 1 1 A 19 19 GLY HA2 H 19 4.273 3.942 0.331 1
1 118 . 14 1 1 A 19 19 GLY HA3 H 19 3.815 3.977 -0.162 1
1 119 . 14 1 1 A 19 19 GLY C C 19 174.170 174.579 -0.409 1
1 120 . 14 1 1 A 20 20 LYS N N 20 123.697 118.913 4.784 1
1 121 . 14 1 1 A 20 20 LYS H H 20 8.041 8.219 -0.178 1
1 122 . 14 1 1 A 20 20 LYS CA C 20 58.531 55.133 3.398 1
1 123 . 14 1 1 A 20 20 LYS HA H 20 3.945 4.642 -0.697 1
1 124 . 14 1 1 A 20 20 LYS CB C 20 33.689 34.337 -0.648 1
1 136 . 14 1 1 A 20 20 LYS C C 20 174.434 175.518 -1.084 1
1 137 . 14 1 1 A 21 21 ARG N N 21 119.834 119.042 0.792 1
1 138 . 14 1 1 A 21 21 ARG H H 21 7.850 7.905 -0.055 1
1 139 . 14 1 1 A 21 21 ARG CA C 21 54.746 54.523 0.223 1
1 140 . 14 1 1 A 21 21 ARG HA H 21 5.181 5.031 0.150 1
1 141 . 14 1 1 A 21 21 ARG CB C 21 33.630 33.082 0.548 1
1 150 . 14 1 1 A 21 21 ARG C C 21 175.430 174.608 0.822 1
1 151 . 14 1 1 A 22 22 PHE N N 22 116.396 122.108 -5.712 1
1 152 . 14 1 1 A 22 22 PHE H H 22 8.788 8.735 0.053 1
1 153 . 14 1 1 A 22 22 PHE CA C 22 57.095 56.946 0.149 1
1 154 . 14 1 1 A 22 22 PHE HA H 22 4.895 4.872 0.023 1
1 155 . 14 1 1 A 22 22 PHE CB C 22 44.347 43.691 0.656 1
1 168 . 14 1 1 A 22 22 PHE C C 22 175.617 175.578 0.039 1
1 169 . 14 1 1 A 23 23 THR N N 23 112.933 114.292 -1.359 1
1 170 . 14 1 1 A 23 23 THR H H 23 9.631 8.794 0.837 1
1 171 . 14 1 1 A 23 23 THR CA C 23 64.070 63.007 1.063 1
1 172 . 14 1 1 A 23 23 THR HA H 23 4.522 4.623 -0.101 1
1 173 . 14 1 1 A 23 23 THR CB C 23 69.777 69.401 0.376 1
1 179 . 14 1 1 A 23 23 THR C C 23 174.715 175.234 -0.519 1
1 180 . 14 1 1 A 24 24 GLN N N 24 115.100 121.357 -6.257 1
1 181 . 14 1 1 A 24 24 GLN H H 24 7.065 7.802 -0.737 1
1 182 . 14 1 1 A 24 24 GLN CA C 24 53.879 54.725 -0.846 1
1 183 . 14 1 1 A 24 24 GLN HA H 24 4.636 4.623 0.013 1
1 184 . 14 1 1 A 24 24 GLN CB C 24 31.873 30.743 1.130 1
1 193 . 14 1 1 A 24 24 GLN C C 24 175.862 176.138 -0.276 1
1 194 . 14 1 1 A 25 25 ASN CA C 25 55.617 55.296 0.321 1
1 195 . 14 1 1 A 25 25 ASN HA H 25 3.376 3.348 0.028 1
1 196 . 14 1 1 A 25 25 ASN CB C 25 38.001 36.861 1.140 1
1 202 . 14 1 1 A 26 26 SER CA C 26 60.922 61.120 -0.198 1
1 203 . 14 1 1 A 26 26 SER HA H 26 4.009 3.879 0.130 1
1 204 . 14 1 1 A 26 26 SER CB C 26 61.595 62.897 -1.302 1
1 207 . 14 1 1 A 26 26 SER C C 26 177.198 177.183 0.015 1
1 208 . 14 1 1 A 27 27 HIS N N 27 121.685 119.665 2.020 1
1 209 . 14 1 1 A 27 27 HIS H H 27 6.680 7.819 -1.139 1
1 210 . 14 1 1 A 27 27 HIS CA C 27 56.723 58.833 -2.110 1
1 211 . 14 1 1 A 27 27 HIS HA H 27 4.500 4.246 0.254 1
1 212 . 14 1 1 A 27 27 HIS CB C 27 31.798 29.887 1.911 1
1 219 . 14 1 1 A 27 27 HIS C C 27 178.161 177.152 1.009 1
1 220 . 14 1 1 A 28 28 LEU N N 28 121.741 120.564 1.177 1
1 221 . 14 1 1 A 28 28 LEU H H 28 6.910 7.393 -0.483 1
1 222 . 14 1 1 A 28 28 LEU CA C 28 57.762 58.013 -0.251 1
1 223 . 14 1 1 A 28 28 LEU HA H 28 3.087 2.986 0.101 1
1 224 . 14 1 1 A 28 28 LEU CB C 28 40.341 41.824 -1.483 1
1 237 . 14 1 1 A 28 28 LEU C C 28 177.649 178.472 -0.823 1
1 238 . 14 1 1 A 29 29 HIS N N 29 118.276 118.185 0.091 1
1 239 . 14 1 1 A 29 29 HIS H H 29 8.195 8.437 -0.242 1
1 240 . 14 1 1 A 29 29 HIS CA C 29 59.210 59.285 -0.075 1
1 241 . 14 1 1 A 29 29 HIS HA H 29 4.387 4.179 0.208 1
1 242 . 14 1 1 A 29 29 HIS CB C 29 29.860 29.947 -0.087 1
1 249 . 14 1 1 A 29 29 HIS C C 29 178.599 178.012 0.587 1
1 250 . 14 1 1 A 30 30 SER N N 30 113.782 115.550 -1.768 1
1 251 . 14 1 1 A 30 30 SER H H 30 7.957 8.535 -0.578 1
1 252 . 14 1 1 A 30 30 SER CA C 30 61.487 61.509 -0.022 1
1 253 . 14 1 1 A 30 30 SER HA H 30 4.135 4.205 -0.070 1
1 254 . 14 1 1 A 30 30 SER CB C 30 62.677 63.245 -0.568 1
1 257 . 14 1 1 A 30 30 SER C C 30 176.976 176.282 0.694 1
1 258 . 14 1 1 A 31 31 HIS N N 31 121.068 121.778 -0.710 1
1 259 . 14 1 1 A 31 31 HIS H H 31 7.669 7.947 -0.278 1
1 260 . 14 1 1 A 31 31 HIS CA C 31 58.850 59.580 -0.730 1
1 261 . 14 1 1 A 31 31 HIS HA H 31 4.253 4.253 0.000 1
1 262 . 14 1 1 A 31 31 HIS CB C 31 28.477 29.828 -1.351 1
1 269 . 14 1 1 A 31 31 HIS C C 31 175.956 177.580 -1.624 1
1 270 . 14 1 1 A 32 32 GLN N N 32 115.453 117.634 -2.181 1
1 271 . 14 1 1 A 32 32 GLN H H 32 8.123 8.527 -0.404 1
1 272 . 14 1 1 A 32 32 GLN CA C 32 59.264 59.009 0.255 1
1 273 . 14 1 1 A 32 32 GLN HA H 32 3.659 3.877 -0.218 1
1 274 . 14 1 1 A 32 32 GLN CB C 32 28.152 28.273 -0.121 1
1 283 . 14 1 1 A 32 32 GLN C C 32 177.332 178.513 -1.181 1
1 284 . 14 1 1 A 33 33 ARG N N 33 117.364 119.849 -2.485 1
1 285 . 14 1 1 A 33 33 ARG H H 33 7.077 7.992 -0.915 1
1 286 . 14 1 1 A 33 33 ARG CA C 33 58.389 59.071 -0.682 1
1 287 . 14 1 1 A 33 33 ARG HA H 33 4.131 4.052 0.079 1
1 288 . 14 1 1 A 33 33 ARG CB C 33 29.966 29.905 0.061 1
1 297 . 14 1 1 A 33 33 ARG C C 33 178.497 178.944 -0.447 1
1 298 . 14 1 1 A 34 34 VAL N N 34 116.278 116.788 -0.510 1
1 299 . 14 1 1 A 34 34 VAL H H 34 7.886 7.742 0.144 1
1 300 . 14 1 1 A 34 34 VAL CA C 34 64.069 64.668 -0.599 1
1 301 . 14 1 1 A 34 34 VAL HA H 34 3.900 3.742 0.158 1
1 302 . 14 1 1 A 34 34 VAL CB C 34 31.122 31.064 0.058 1
1 312 . 14 1 1 A 34 34 VAL C C 34 177.295 176.523 0.772 1
1 313 . 14 1 1 A 35 35 HIS N N 35 117.224 119.578 -2.354 1
1 314 . 14 1 1 A 35 35 HIS H H 35 7.217 7.579 -0.362 1
1 315 . 14 1 1 A 35 35 HIS CA C 35 55.233 55.589 -0.356 1
1 316 . 14 1 1 A 35 35 HIS HA H 35 4.864 4.741 0.123 1
1 317 . 14 1 1 A 35 35 HIS CB C 35 28.692 29.606 -0.914 1
1 324 . 14 1 1 A 35 35 HIS C C 35 175.824 175.755 0.069 1
1 325 . 14 1 1 A 36 36 THR N N 36 111.706 113.792 -2.086 1
1 326 . 14 1 1 A 36 36 THR H H 36 7.770 8.185 -0.415 1
1 327 . 14 1 1 A 36 36 THR CA C 36 62.523 64.932 -2.409 1
1 328 . 14 1 1 A 36 36 THR HA H 36 4.347 4.049 0.298 1
1 329 . 14 1 1 A 36 36 THR CB C 36 69.863 68.681 1.182 1
1 335 . 14 1 1 A 36 36 THR C C 36 175.637 175.362 0.275 1
1 336 . 14 1 1 A 37 37 GLY N N 37 110.627 110.156 0.471 1
1 337 . 14 1 1 A 37 37 GLY H H 37 8.221 7.813 0.408 1
1 338 . 14 1 1 A 37 37 GLY CA C 37 45.344 45.086 0.258 1
1 339 . 14 1 1 A 37 37 GLY HA2 H 37 4.018 4.057 -0.039 1
1 340 . 14 1 1 A 37 37 GLY HA3 H 37 3.943 4.064 -0.121 1
1 341 . 14 1 1 A 37 37 GLY C C 37 174.070 174.695 -0.625 1
1 342 . 14 1 1 A 38 38 GLU N N 38 120.538 121.208 -0.670 1
1 343 . 14 1 1 A 38 38 GLU H H 38 8.081 7.919 0.162 1
1 344 . 14 1 1 A 38 38 GLU CA C 38 56.425 55.890 0.535 1
1 345 . 14 1 1 A 38 38 GLU HA H 38 4.240 4.476 -0.236 1
1 346 . 14 1 1 A 38 38 GLU CB C 38 30.510 29.719 0.791 1
1 352 . 14 1 1 A 38 38 GLU C C 38 176.244 175.893 0.351 1
1 353 . 14 1 1 A 39 39 LYS N N 39 123.780 119.408 4.372 1
1 354 . 14 1 1 A 39 39 LYS H H 39 8.381 7.280 1.101 1
1 355 . 14 1 1 A 39 39 LYS CA C 39 54.135 55.173 -1.038 1
1 356 . 14 1 1 A 39 39 LYS HA H 39 4.593 4.761 -0.168 1
1 357 . 14 1 1 A 39 39 LYS CB C 39 32.496 32.383 0.113 1
1 369 . 14 1 1 A 39 39 LYS C C 39 174.521 176.529 -2.008 1
1 370 . 14 1 1 A 40 40 PRO CA C 40 63.225 64.137 -0.912 1
1 371 . 14 1 1 A 40 40 PRO HA H 40 4.452 4.506 -0.054 1
1 372 . 14 1 1 A 40 40 PRO CB C 40 32.181 31.671 0.510 1
1 381 . 14 1 1 A 40 40 PRO C C 40 176.999 176.593 0.406 1
1 382 . 14 1 1 A 41 41 SER N N 41 116.501 113.079 3.422 1
1 383 . 14 1 1 A 41 41 SER H H 41 8.466 7.860 0.606 1
1 384 . 14 1 1 A 41 41 SER CA C 41 58.367 57.296 1.071 1
1 385 . 14 1 1 A 41 41 SER HA H 41 4.512 4.556 -0.044 1
1 386 . 14 1 1 A 41 41 SER CB C 41 63.986 62.096 1.890 1
1 388 . 14 1 1 A 41 41 SER C C 41 174.682 173.401 1.281 1
1 389 . 14 1 1 A 42 42 GLY CA C 42 44.661 44.848 -0.187 1
1 390 . 14 1 1 A 42 42 GLY HA2 H 42 4.099 4.128 -0.029 1
1 391 . 14 1 1 A 42 42 GLY HA3 H 42 4.147 4.128 0.019 1
1 392 . 14 1 1 A 43 43 PRO CA C 43 63.240 62.686 0.554 1
1 393 . 14 1 1 A 43 43 PRO HA H 43 4.463 4.538 -0.075 1
1 394 . 14 1 1 A 43 43 PRO CB C 43 32.179 32.085 0.094 1
1 403 . 14 1 1 A 45 45 SER CA C 45 58.420 58.861 -0.441 1
1 404 . 14 1 1 A 45 45 SER HA H 45 4.496 4.130 0.366 1
1 405 . 14 1 1 A 45 45 SER CB C 45 63.789 61.876 1.913 1
1 407 . 14 1 1 A 45 45 SER C C 45 173.912 174.497 -0.585 1
1 1 . 15 1 1 A 9 9 GLY CA C 9 45.161 44.429 0.732 1
1 2 . 15 1 1 A 9 9 GLY HA2 H 9 3.930 4.014 -0.084 1
1 3 . 15 1 1 A 9 9 GLY C C 9 174.105 172.528 1.577 1
1 4 . 15 1 1 A 10 10 GLU N N 10 120.165 122.553 -2.388 1
1 5 . 15 1 1 A 10 10 GLU H H 10 8.176 8.709 -0.533 1
1 6 . 15 1 1 A 10 10 GLU CA C 10 56.826 55.180 1.646 1
1 7 . 15 1 1 A 10 10 GLU HA H 10 4.181 4.733 -0.552 1
1 8 . 15 1 1 A 10 10 GLU CB C 10 30.258 30.542 -0.284 1
1 14 . 15 1 1 A 10 10 GLU C C 10 176.388 174.806 1.582 1
1 15 . 15 1 1 A 11 11 LYS N N 11 121.439 122.173 -0.734 1
1 16 . 15 1 1 A 11 11 LYS H H 11 8.315 7.477 0.838 1
1 17 . 15 1 1 A 11 11 LYS CA C 11 53.977 52.946 1.031 1
1 18 . 15 1 1 A 11 11 LYS HA H 11 4.539 4.772 -0.233 1
1 19 . 15 1 1 A 11 11 LYS CB C 11 33.584 34.439 -0.855 1
1 31 . 15 1 1 A 11 11 LYS C C 11 174.251 175.816 -1.565 1
1 32 . 15 1 1 A 12 12 PRO CA C 12 63.666 65.007 -1.341 1
1 33 . 15 1 1 A 12 12 PRO HA H 12 4.244 4.247 -0.003 1
1 34 . 15 1 1 A 12 12 PRO CB C 12 32.293 31.643 0.650 1
1 43 . 15 1 1 A 12 12 PRO C C 12 176.348 176.358 -0.010 1
1 44 . 15 1 1 A 13 13 PHE N N 13 117.694 117.921 -0.227 1
1 45 . 15 1 1 A 13 13 PHE H H 13 7.752 7.606 0.146 1
1 46 . 15 1 1 A 13 13 PHE CA C 13 57.418 58.414 -0.996 1
1 47 . 15 1 1 A 13 13 PHE HA H 13 4.709 4.677 0.032 1
1 48 . 15 1 1 A 13 13 PHE CB C 13 39.785 39.948 -0.163 1
1 61 . 15 1 1 A 13 13 PHE C C 13 174.405 176.275 -1.870 1
1 62 . 15 1 1 A 14 14 GLN N N 14 124.070 121.091 2.979 1
1 63 . 15 1 1 A 14 14 GLN H H 14 8.923 8.791 0.132 1
1 64 . 15 1 1 A 14 14 GLN CA C 14 54.279 54.040 0.239 1
1 65 . 15 1 1 A 14 14 GLN HA H 14 5.160 5.388 -0.228 1
1 66 . 15 1 1 A 14 14 GLN CB C 14 32.341 32.993 -0.652 1
1 75 . 15 1 1 A 14 14 GLN C C 14 173.888 174.738 -0.850 1
1 76 . 15 1 1 A 15 15 CYS N N 15 117.013 122.545 -5.532 1
1 77 . 15 1 1 A 15 15 CYS H H 15 9.281 9.110 0.171 1
1 78 . 15 1 1 A 15 15 CYS CA C 15 59.545 59.075 0.470 1
1 79 . 15 1 1 A 15 15 CYS HA H 15 4.571 4.762 -0.191 1
1 80 . 15 1 1 A 15 15 CYS CB C 15 29.720 29.093 0.627 1
1 83 . 15 1 1 A 15 15 CYS C C 15 177.248 174.517 2.731 1
1 84 . 15 1 1 A 16 16 GLU N N 16 121.917 123.832 -1.915 1
1 85 . 15 1 1 A 16 16 GLU H H 16 9.724 8.975 0.749 1
1 86 . 15 1 1 A 16 16 GLU CA C 16 58.765 57.343 1.422 1
1 87 . 15 1 1 A 16 16 GLU HA H 16 4.143 4.514 -0.371 1
1 88 . 15 1 1 A 16 16 GLU CB C 16 29.678 31.765 -2.087 1
1 94 . 15 1 1 A 16 16 GLU C C 16 177.332 177.966 -0.634 1
1 95 . 15 1 1 A 17 17 GLU N N 17 125.342 117.048 8.294 1
1 96 . 15 1 1 A 17 17 GLU H H 17 7.948 8.237 -0.289 1
1 97 . 15 1 1 A 17 17 GLU CA C 17 58.478 57.892 0.586 1
1 98 . 15 1 1 A 17 17 GLU HA H 17 4.195 4.210 -0.015 1
1 99 . 15 1 1 A 17 17 GLU CB C 17 29.553 30.405 -0.852 1
1 105 . 15 1 1 A 17 17 GLU C C 17 176.702 177.793 -1.091 1
1 106 . 15 1 1 A 18 18 CYS N N 18 120.318 115.107 5.211 1
1 107 . 15 1 1 A 18 18 CYS H H 18 8.582 7.853 0.729 1
1 108 . 15 1 1 A 18 18 CYS CA C 18 58.297 58.559 -0.262 1
1 109 . 15 1 1 A 18 18 CYS HA H 18 5.188 4.666 0.522 1
1 110 . 15 1 1 A 18 18 CYS CB C 18 32.633 29.645 2.988 1
1 113 . 15 1 1 A 18 18 CYS C C 18 176.394 175.759 0.635 1
1 114 . 15 1 1 A 19 19 GLY N N 19 113.672 111.036 2.636 1
1 115 . 15 1 1 A 19 19 GLY H H 19 8.197 8.198 -0.001 1
1 116 . 15 1 1 A 19 19 GLY CA C 19 46.144 47.171 -1.027 1
1 117 . 15 1 1 A 19 19 GLY HA2 H 19 4.273 3.934 0.339 1
1 118 . 15 1 1 A 19 19 GLY HA3 H 19 3.815 3.966 -0.151 1
1 119 . 15 1 1 A 19 19 GLY C C 19 174.170 174.958 -0.788 1
1 120 . 15 1 1 A 20 20 LYS N N 20 123.697 119.647 4.050 1
1 121 . 15 1 1 A 20 20 LYS H H 20 8.041 8.151 -0.110 1
1 122 . 15 1 1 A 20 20 LYS CA C 20 58.531 56.109 2.422 1
1 123 . 15 1 1 A 20 20 LYS HA H 20 3.945 4.357 -0.412 1
1 124 . 15 1 1 A 20 20 LYS CB C 20 33.689 33.960 -0.271 1
1 136 . 15 1 1 A 20 20 LYS C C 20 174.434 175.255 -0.821 1
1 137 . 15 1 1 A 21 21 ARG N N 21 119.834 118.748 1.086 1
1 138 . 15 1 1 A 21 21 ARG H H 21 7.850 7.751 0.099 1
1 139 . 15 1 1 A 21 21 ARG CA C 21 54.746 54.066 0.680 1
1 140 . 15 1 1 A 21 21 ARG HA H 21 5.181 5.293 -0.112 1
1 141 . 15 1 1 A 21 21 ARG CB C 21 33.630 33.962 -0.332 1
1 150 . 15 1 1 A 21 21 ARG C C 21 175.430 174.043 1.387 1
1 151 . 15 1 1 A 22 22 PHE N N 22 116.396 120.743 -4.347 1
1 152 . 15 1 1 A 22 22 PHE H H 22 8.788 8.480 0.308 1
1 153 . 15 1 1 A 22 22 PHE CA C 22 57.095 56.845 0.250 1
1 154 . 15 1 1 A 22 22 PHE HA H 22 4.895 4.932 -0.037 1
1 155 . 15 1 1 A 22 22 PHE CB C 22 44.347 43.179 1.168 1
1 168 . 15 1 1 A 22 22 PHE C C 22 175.617 175.467 0.150 1
1 169 . 15 1 1 A 23 23 THR N N 23 112.933 115.797 -2.864 1
1 170 . 15 1 1 A 23 23 THR H H 23 9.631 8.858 0.773 1
1 171 . 15 1 1 A 23 23 THR CA C 23 64.070 64.417 -0.347 1
1 172 . 15 1 1 A 23 23 THR HA H 23 4.522 4.514 0.008 1
1 173 . 15 1 1 A 23 23 THR CB C 23 69.777 69.448 0.329 1
1 179 . 15 1 1 A 23 23 THR C C 23 174.715 174.923 -0.208 1
1 180 . 15 1 1 A 24 24 GLN N N 24 115.100 119.324 -4.224 1
1 181 . 15 1 1 A 24 24 GLN H H 24 7.065 7.889 -0.824 1
1 182 . 15 1 1 A 24 24 GLN CA C 24 53.879 54.907 -1.028 1
1 183 . 15 1 1 A 24 24 GLN HA H 24 4.636 4.352 0.284 1
1 184 . 15 1 1 A 24 24 GLN CB C 24 31.873 30.627 1.246 1
1 193 . 15 1 1 A 24 24 GLN C C 24 175.862 175.772 0.090 1
1 194 . 15 1 1 A 25 25 ASN CA C 25 55.617 56.461 -0.844 1
1 195 . 15 1 1 A 25 25 ASN HA H 25 3.376 3.272 0.104 1
1 196 . 15 1 1 A 25 25 ASN CB C 25 38.001 38.114 -0.113 1
1 202 . 15 1 1 A 26 26 SER CA C 26 60.922 61.595 -0.673 1
1 203 . 15 1 1 A 26 26 SER HA H 26 4.009 3.902 0.107 1
1 204 . 15 1 1 A 26 26 SER CB C 26 61.595 62.984 -1.389 1
1 207 . 15 1 1 A 26 26 SER C C 26 177.198 176.854 0.344 1
1 208 . 15 1 1 A 27 27 HIS N N 27 121.685 121.372 0.313 1
1 209 . 15 1 1 A 27 27 HIS H H 27 6.680 7.767 -1.087 1
1 210 . 15 1 1 A 27 27 HIS CA C 27 56.723 60.040 -3.317 1
1 211 . 15 1 1 A 27 27 HIS HA H 27 4.500 4.062 0.438 1
1 212 . 15 1 1 A 27 27 HIS CB C 27 31.798 29.944 1.854 1
1 219 . 15 1 1 A 27 27 HIS C C 27 178.161 176.303 1.858 1
1 220 . 15 1 1 A 28 28 LEU N N 28 121.741 119.843 1.898 1
1 221 . 15 1 1 A 28 28 LEU H H 28 6.910 7.588 -0.678 1
1 222 . 15 1 1 A 28 28 LEU CA C 28 57.762 57.853 -0.091 1
1 223 . 15 1 1 A 28 28 LEU HA H 28 3.087 3.121 -0.034 1
1 224 . 15 1 1 A 28 28 LEU CB C 28 40.341 41.832 -1.491 1
1 237 . 15 1 1 A 28 28 LEU C C 28 177.649 178.474 -0.825 1
1 238 . 15 1 1 A 29 29 HIS N N 29 118.276 118.169 0.107 1
1 239 . 15 1 1 A 29 29 HIS H H 29 8.195 8.161 0.034 1
1 240 . 15 1 1 A 29 29 HIS CA C 29 59.210 59.353 -0.143 1
1 241 . 15 1 1 A 29 29 HIS HA H 29 4.387 4.442 -0.055 1
1 242 . 15 1 1 A 29 29 HIS CB C 29 29.860 29.791 0.069 1
1 249 . 15 1 1 A 29 29 HIS C C 29 178.599 177.487 1.112 1
1 250 . 15 1 1 A 30 30 SER N N 30 113.782 114.825 -1.043 1
1 251 . 15 1 1 A 30 30 SER H H 30 7.957 8.046 -0.089 1
1 252 . 15 1 1 A 30 30 SER CA C 30 61.487 61.381 0.106 1
1 253 . 15 1 1 A 30 30 SER HA H 30 4.135 4.145 -0.010 1
1 254 . 15 1 1 A 30 30 SER CB C 30 62.677 62.639 0.038 1
1 257 . 15 1 1 A 30 30 SER C C 30 176.976 177.004 -0.028 1
1 258 . 15 1 1 A 31 31 HIS N N 31 121.068 121.456 -0.388 1
1 259 . 15 1 1 A 31 31 HIS H H 31 7.669 8.351 -0.682 1
1 260 . 15 1 1 A 31 31 HIS CA C 31 58.850 60.174 -1.324 1
1 261 . 15 1 1 A 31 31 HIS HA H 31 4.253 4.028 0.225 1
1 262 . 15 1 1 A 31 31 HIS CB C 31 28.477 29.508 -1.031 1
1 269 . 15 1 1 A 31 31 HIS C C 31 175.956 176.891 -0.935 1
1 270 . 15 1 1 A 32 32 GLN N N 32 115.453 117.549 -2.096 1
1 271 . 15 1 1 A 32 32 GLN H H 32 8.123 8.458 -0.335 1
1 272 . 15 1 1 A 32 32 GLN CA C 32 59.264 58.799 0.465 1
1 273 . 15 1 1 A 32 32 GLN HA H 32 3.659 3.827 -0.168 1
1 274 . 15 1 1 A 32 32 GLN CB C 32 28.152 28.310 -0.158 1
1 283 . 15 1 1 A 32 32 GLN C C 32 177.332 178.414 -1.082 1
1 284 . 15 1 1 A 33 33 ARG N N 33 117.364 118.452 -1.088 1
1 285 . 15 1 1 A 33 33 ARG H H 33 7.077 8.401 -1.324 1
1 286 . 15 1 1 A 33 33 ARG CA C 33 58.389 58.841 -0.452 1
1 287 . 15 1 1 A 33 33 ARG HA H 33 4.131 4.050 0.081 1
1 288 . 15 1 1 A 33 33 ARG CB C 33 29.966 29.904 0.062 1
1 297 . 15 1 1 A 33 33 ARG C C 33 178.497 177.672 0.825 1
1 298 . 15 1 1 A 34 34 VAL N N 34 116.278 115.169 1.109 1
1 299 . 15 1 1 A 34 34 VAL H H 34 7.886 7.868 0.018 1
1 300 . 15 1 1 A 34 34 VAL CA C 34 64.069 65.096 -1.027 1
1 301 . 15 1 1 A 34 34 VAL HA H 34 3.900 3.729 0.171 1
1 302 . 15 1 1 A 34 34 VAL CB C 34 31.122 31.088 0.034 1
1 312 . 15 1 1 A 34 34 VAL C C 34 177.295 176.534 0.761 1
1 313 . 15 1 1 A 35 35 HIS N N 35 117.224 119.643 -2.419 1
1 314 . 15 1 1 A 35 35 HIS H H 35 7.217 7.322 -0.105 1
1 315 . 15 1 1 A 35 35 HIS CA C 35 55.233 55.921 -0.688 1
1 316 . 15 1 1 A 35 35 HIS HA H 35 4.864 4.626 0.238 1
1 317 . 15 1 1 A 35 35 HIS CB C 35 28.692 29.259 -0.567 1
1 324 . 15 1 1 A 35 35 HIS C C 35 175.824 175.818 0.006 1
1 325 . 15 1 1 A 36 36 THR N N 36 111.706 113.786 -2.080 1
1 326 . 15 1 1 A 36 36 THR H H 36 7.770 8.357 -0.587 1
1 327 . 15 1 1 A 36 36 THR CA C 36 62.523 65.362 -2.839 1
1 328 . 15 1 1 A 36 36 THR HA H 36 4.347 4.099 0.248 1
1 329 . 15 1 1 A 36 36 THR CB C 36 69.863 68.334 1.529 1
1 335 . 15 1 1 A 36 36 THR C C 36 175.637 176.862 -1.225 1
1 336 . 15 1 1 A 37 37 GLY N N 37 110.627 111.593 -0.966 1
1 337 . 15 1 1 A 37 37 GLY H H 37 8.221 8.557 -0.336 1
1 338 . 15 1 1 A 37 37 GLY CA C 37 45.344 47.303 -1.959 1
1 339 . 15 1 1 A 37 37 GLY HA2 H 37 4.018 3.724 0.294 1
1 340 . 15 1 1 A 37 37 GLY HA3 H 37 3.943 3.734 0.209 1
1 341 . 15 1 1 A 37 37 GLY C C 37 174.070 175.702 -1.632 1
1 342 . 15 1 1 A 38 38 GLU N N 38 120.538 120.722 -0.184 1
1 343 . 15 1 1 A 38 38 GLU H H 38 8.081 8.047 0.034 1
1 344 . 15 1 1 A 38 38 GLU CA C 38 56.425 55.919 0.506 1
1 345 . 15 1 1 A 38 38 GLU HA H 38 4.240 4.414 -0.174 1
1 346 . 15 1 1 A 38 38 GLU CB C 38 30.510 27.943 2.567 1
1 352 . 15 1 1 A 38 38 GLU C C 38 176.244 175.732 0.512 1
1 353 . 15 1 1 A 39 39 LYS N N 39 123.780 124.858 -1.078 1
1 354 . 15 1 1 A 39 39 LYS H H 39 8.381 8.381 0.000 1
1 355 . 15 1 1 A 39 39 LYS CA C 39 54.135 53.249 0.886 1
1 356 . 15 1 1 A 39 39 LYS HA H 39 4.593 4.559 0.034 1
1 357 . 15 1 1 A 39 39 LYS CB C 39 32.496 35.425 -2.929 1
1 369 . 15 1 1 A 39 39 LYS C C 39 174.521 175.219 -0.698 1
1 370 . 15 1 1 A 40 40 PRO CA C 40 63.225 64.139 -0.914 1
1 371 . 15 1 1 A 40 40 PRO HA H 40 4.452 4.486 -0.034 1
1 372 . 15 1 1 A 40 40 PRO CB C 40 32.181 31.672 0.509 1
1 381 . 15 1 1 A 40 40 PRO C C 40 176.999 176.414 0.585 1
1 382 . 15 1 1 A 41 41 SER N N 41 116.501 115.918 0.583 1
1 383 . 15 1 1 A 41 41 SER H H 41 8.466 8.233 0.233 1
1 384 . 15 1 1 A 41 41 SER CA C 41 58.367 57.808 0.559 1
1 385 . 15 1 1 A 41 41 SER HA H 41 4.512 4.857 -0.345 1
1 386 . 15 1 1 A 41 41 SER CB C 41 63.986 64.074 -0.088 1
1 388 . 15 1 1 A 41 41 SER C C 41 174.682 173.861 0.821 1
1 389 . 15 1 1 A 42 42 GLY CA C 42 44.661 45.837 -1.176 1
1 390 . 15 1 1 A 42 42 GLY HA2 H 42 4.099 4.062 0.037 1
1 391 . 15 1 1 A 42 42 GLY HA3 H 42 4.147 4.062 0.085 1
1 392 . 15 1 1 A 43 43 PRO CA C 43 63.240 64.659 -1.419 1
1 393 . 15 1 1 A 43 43 PRO HA H 43 4.463 4.342 0.121 1
1 394 . 15 1 1 A 43 43 PRO CB C 43 32.179 31.382 0.797 1
1 403 . 15 1 1 A 45 45 SER CA C 45 58.420 56.610 1.810 1
1 404 . 15 1 1 A 45 45 SER HA H 45 4.496 5.034 -0.538 1
1 405 . 15 1 1 A 45 45 SER CB C 45 63.789 65.601 -1.812 1
1 407 . 15 1 1 A 45 45 SER C C 45 173.912 173.374 0.538 1
1 1 . 16 1 1 A 9 9 GLY CA C 9 45.161 44.980 0.181 1
1 2 . 16 1 1 A 9 9 GLY HA2 H 9 3.930 4.215 -0.285 1
1 3 . 16 1 1 A 9 9 GLY C C 9 174.105 172.123 1.982 1
1 4 . 16 1 1 A 10 10 GLU N N 10 120.165 123.129 -2.964 1
1 5 . 16 1 1 A 10 10 GLU H H 10 8.176 8.667 -0.491 1
1 6 . 16 1 1 A 10 10 GLU CA C 10 56.826 55.096 1.730 1
1 7 . 16 1 1 A 10 10 GLU HA H 10 4.181 4.972 -0.791 1
1 8 . 16 1 1 A 10 10 GLU CB C 10 30.258 33.758 -3.500 1
1 14 . 16 1 1 A 10 10 GLU C C 10 176.388 174.559 1.829 1
1 15 . 16 1 1 A 11 11 LYS N N 11 121.439 125.642 -4.203 1
1 16 . 16 1 1 A 11 11 LYS H H 11 8.315 8.512 -0.197 1
1 17 . 16 1 1 A 11 11 LYS CA C 11 53.977 53.211 0.766 1
1 18 . 16 1 1 A 11 11 LYS HA H 11 4.539 4.712 -0.173 1
1 19 . 16 1 1 A 11 11 LYS CB C 11 33.584 33.536 0.048 1
1 31 . 16 1 1 A 11 11 LYS C C 11 174.251 176.231 -1.980 1
1 32 . 16 1 1 A 12 12 PRO CA C 12 63.666 64.780 -1.114 1
1 33 . 16 1 1 A 12 12 PRO HA H 12 4.244 4.231 0.013 1
1 34 . 16 1 1 A 12 12 PRO CB C 12 32.293 31.565 0.728 1
1 43 . 16 1 1 A 12 12 PRO C C 12 176.348 176.109 0.239 1
1 44 . 16 1 1 A 13 13 PHE N N 13 117.694 117.596 0.098 1
1 45 . 16 1 1 A 13 13 PHE H H 13 7.752 7.556 0.196 1
1 46 . 16 1 1 A 13 13 PHE CA C 13 57.418 56.989 0.429 1
1 47 . 16 1 1 A 13 13 PHE HA H 13 4.709 4.775 -0.066 1
1 48 . 16 1 1 A 13 13 PHE CB C 13 39.785 38.977 0.808 1
1 61 . 16 1 1 A 13 13 PHE C C 13 174.405 175.578 -1.173 1
1 62 . 16 1 1 A 14 14 GLN N N 14 124.070 122.887 1.183 1
1 63 . 16 1 1 A 14 14 GLN H H 14 8.923 8.889 0.034 1
1 64 . 16 1 1 A 14 14 GLN CA C 14 54.279 53.928 0.351 1
1 65 . 16 1 1 A 14 14 GLN HA H 14 5.160 5.567 -0.407 1
1 66 . 16 1 1 A 14 14 GLN CB C 14 32.341 32.069 0.272 1
1 75 . 16 1 1 A 14 14 GLN C C 14 173.888 174.737 -0.849 1
1 76 . 16 1 1 A 15 15 CYS N N 15 117.013 123.000 -5.987 1
1 77 . 16 1 1 A 15 15 CYS H H 15 9.281 9.210 0.071 1
1 78 . 16 1 1 A 15 15 CYS CA C 15 59.545 59.260 0.285 1
1 79 . 16 1 1 A 15 15 CYS HA H 15 4.571 4.665 -0.094 1
1 80 . 16 1 1 A 15 15 CYS CB C 15 29.720 28.932 0.788 1
1 83 . 16 1 1 A 15 15 CYS C C 15 177.248 174.577 2.671 1
1 84 . 16 1 1 A 16 16 GLU N N 16 121.917 123.933 -2.016 1
1 85 . 16 1 1 A 16 16 GLU H H 16 9.724 8.902 0.822 1
1 86 . 16 1 1 A 16 16 GLU CA C 16 58.765 56.978 1.787 1
1 87 . 16 1 1 A 16 16 GLU HA H 16 4.143 4.462 -0.319 1
1 88 . 16 1 1 A 16 16 GLU CB C 16 29.678 31.440 -1.762 1
1 94 . 16 1 1 A 16 16 GLU C C 16 177.332 178.019 -0.687 1
1 95 . 16 1 1 A 17 17 GLU N N 17 125.342 118.072 7.270 1
1 96 . 16 1 1 A 17 17 GLU H H 17 7.948 8.114 -0.166 1
1 97 . 16 1 1 A 17 17 GLU CA C 17 58.478 57.748 0.730 1
1 98 . 16 1 1 A 17 17 GLU HA H 17 4.195 4.230 -0.035 1
1 99 . 16 1 1 A 17 17 GLU CB C 17 29.553 30.449 -0.896 1
1 105 . 16 1 1 A 17 17 GLU C C 17 176.702 177.783 -1.081 1
1 106 . 16 1 1 A 18 18 CYS N N 18 120.318 115.061 5.257 1
1 107 . 16 1 1 A 18 18 CYS H H 18 8.582 7.818 0.764 1
1 108 . 16 1 1 A 18 18 CYS CA C 18 58.297 58.588 -0.291 1
1 109 . 16 1 1 A 18 18 CYS HA H 18 5.188 4.645 0.543 1
1 110 . 16 1 1 A 18 18 CYS CB C 18 32.633 30.126 2.507 1
1 113 . 16 1 1 A 18 18 CYS C C 18 176.394 175.836 0.558 1
1 114 . 16 1 1 A 19 19 GLY N N 19 113.672 110.935 2.737 1
1 115 . 16 1 1 A 19 19 GLY H H 19 8.197 8.099 0.098 1
1 116 . 16 1 1 A 19 19 GLY CA C 19 46.144 47.126 -0.982 1
1 117 . 16 1 1 A 19 19 GLY HA2 H 19 4.273 3.943 0.330 1
1 118 . 16 1 1 A 19 19 GLY HA3 H 19 3.815 3.977 -0.162 1
1 119 . 16 1 1 A 19 19 GLY C C 19 174.170 174.575 -0.405 1
1 120 . 16 1 1 A 20 20 LYS N N 20 123.697 119.144 4.553 1
1 121 . 16 1 1 A 20 20 LYS H H 20 8.041 8.247 -0.206 1
1 122 . 16 1 1 A 20 20 LYS CA C 20 58.531 55.438 3.093 1
1 123 . 16 1 1 A 20 20 LYS HA H 20 3.945 4.583 -0.638 1
1 124 . 16 1 1 A 20 20 LYS CB C 20 33.689 34.051 -0.362 1
1 136 . 16 1 1 A 20 20 LYS C C 20 174.434 175.716 -1.282 1
1 137 . 16 1 1 A 21 21 ARG N N 21 119.834 119.174 0.660 1
1 138 . 16 1 1 A 21 21 ARG H H 21 7.850 7.979 -0.129 1
1 139 . 16 1 1 A 21 21 ARG CA C 21 54.746 54.394 0.352 1
1 140 . 16 1 1 A 21 21 ARG HA H 21 5.181 5.014 0.167 1
1 141 . 16 1 1 A 21 21 ARG CB C 21 33.630 33.090 0.540 1
1 150 . 16 1 1 A 21 21 ARG C C 21 175.430 174.916 0.514 1
1 151 . 16 1 1 A 22 22 PHE N N 22 116.396 121.053 -4.657 1
1 152 . 16 1 1 A 22 22 PHE H H 22 8.788 8.547 0.241 1
1 153 . 16 1 1 A 22 22 PHE CA C 22 57.095 56.899 0.196 1
1 154 . 16 1 1 A 22 22 PHE HA H 22 4.895 4.927 -0.032 1
1 155 . 16 1 1 A 22 22 PHE CB C 22 44.347 42.160 2.187 1
1 168 . 16 1 1 A 22 22 PHE C C 22 175.617 175.835 -0.218 1
1 169 . 16 1 1 A 23 23 THR N N 23 112.933 118.662 -5.729 1
1 170 . 16 1 1 A 23 23 THR H H 23 9.631 8.706 0.925 1
1 171 . 16 1 1 A 23 23 THR CA C 23 64.070 66.713 -2.643 1
1 172 . 16 1 1 A 23 23 THR HA H 23 4.522 4.100 0.422 1
1 173 . 16 1 1 A 23 23 THR CB C 23 69.777 68.814 0.963 1
1 179 . 16 1 1 A 23 23 THR C C 23 174.715 175.273 -0.558 1
1 180 . 16 1 1 A 24 24 GLN N N 24 115.100 118.427 -3.327 1
1 181 . 16 1 1 A 24 24 GLN H H 24 7.065 7.897 -0.832 1
1 182 . 16 1 1 A 24 24 GLN CA C 24 53.879 54.293 -0.414 1
1 183 . 16 1 1 A 24 24 GLN HA H 24 4.636 4.457 0.179 1
1 184 . 16 1 1 A 24 24 GLN CB C 24 31.873 30.146 1.727 1
1 193 . 16 1 1 A 24 24 GLN C C 24 175.862 175.995 -0.133 1
1 194 . 16 1 1 A 25 25 ASN CA C 25 55.617 56.177 -0.560 1
1 195 . 16 1 1 A 25 25 ASN HA H 25 3.376 3.794 -0.418 1
1 196 . 16 1 1 A 25 25 ASN CB C 25 38.001 38.282 -0.281 1
1 202 . 16 1 1 A 26 26 SER CA C 26 60.922 61.556 -0.634 1
1 203 . 16 1 1 A 26 26 SER HA H 26 4.009 3.975 0.034 1
1 204 . 16 1 1 A 26 26 SER CB C 26 61.595 63.112 -1.517 1
1 207 . 16 1 1 A 26 26 SER C C 26 177.198 177.628 -0.430 1
1 208 . 16 1 1 A 27 27 HIS N N 27 121.685 119.607 2.078 1
1 209 . 16 1 1 A 27 27 HIS H H 27 6.680 8.135 -1.455 1
1 210 . 16 1 1 A 27 27 HIS CA C 27 56.723 58.792 -2.069 1
1 211 . 16 1 1 A 27 27 HIS HA H 27 4.500 4.387 0.113 1
1 212 . 16 1 1 A 27 27 HIS CB C 27 31.798 29.662 2.136 1
1 219 . 16 1 1 A 27 27 HIS C C 27 178.161 177.386 0.775 1
1 220 . 16 1 1 A 28 28 LEU N N 28 121.741 120.802 0.939 1
1 221 . 16 1 1 A 28 28 LEU H H 28 6.910 7.887 -0.977 1
1 222 . 16 1 1 A 28 28 LEU CA C 28 57.762 57.886 -0.124 1
1 223 . 16 1 1 A 28 28 LEU HA H 28 3.087 3.062 0.025 1
1 224 . 16 1 1 A 28 28 LEU CB C 28 40.341 41.622 -1.281 1
1 237 . 16 1 1 A 28 28 LEU C C 28 177.649 178.409 -0.760 1
1 238 . 16 1 1 A 29 29 HIS N N 29 118.276 118.127 0.149 1
1 239 . 16 1 1 A 29 29 HIS H H 29 8.195 8.350 -0.155 1
1 240 . 16 1 1 A 29 29 HIS CA C 29 59.210 59.471 -0.261 1
1 241 . 16 1 1 A 29 29 HIS HA H 29 4.387 4.180 0.207 1
1 242 . 16 1 1 A 29 29 HIS CB C 29 29.860 29.980 -0.120 1
1 249 . 16 1 1 A 29 29 HIS C C 29 178.599 177.740 0.859 1
1 250 . 16 1 1 A 30 30 SER N N 30 113.782 114.431 -0.649 1
1 251 . 16 1 1 A 30 30 SER H H 30 7.957 7.996 -0.039 1
1 252 . 16 1 1 A 30 30 SER CA C 30 61.487 61.257 0.230 1
1 253 . 16 1 1 A 30 30 SER HA H 30 4.135 4.112 0.023 1
1 254 . 16 1 1 A 30 30 SER CB C 30 62.677 62.690 -0.013 1
1 257 . 16 1 1 A 30 30 SER C C 30 176.976 176.909 0.067 1
1 258 . 16 1 1 A 31 31 HIS N N 31 121.068 120.906 0.162 1
1 259 . 16 1 1 A 31 31 HIS H H 31 7.669 7.984 -0.315 1
1 260 . 16 1 1 A 31 31 HIS CA C 31 58.850 59.876 -1.026 1
1 261 . 16 1 1 A 31 31 HIS HA H 31 4.253 4.120 0.133 1
1 262 . 16 1 1 A 31 31 HIS CB C 31 28.477 29.581 -1.104 1
1 269 . 16 1 1 A 31 31 HIS C C 31 175.956 177.306 -1.350 1
1 270 . 16 1 1 A 32 32 GLN N N 32 115.453 118.340 -2.887 1
1 271 . 16 1 1 A 32 32 GLN H H 32 8.123 8.391 -0.268 1
1 272 . 16 1 1 A 32 32 GLN CA C 32 59.264 58.854 0.410 1
1 273 . 16 1 1 A 32 32 GLN HA H 32 3.659 4.012 -0.353 1
1 274 . 16 1 1 A 32 32 GLN CB C 32 28.152 28.346 -0.194 1
1 283 . 16 1 1 A 32 32 GLN C C 32 177.332 177.998 -0.666 1
1 284 . 16 1 1 A 33 33 ARG N N 33 117.364 119.472 -2.108 1
1 285 . 16 1 1 A 33 33 ARG H H 33 7.077 8.003 -0.926 1
1 286 . 16 1 1 A 33 33 ARG CA C 33 58.389 58.238 0.151 1
1 287 . 16 1 1 A 33 33 ARG HA H 33 4.131 4.029 0.102 1
1 288 . 16 1 1 A 33 33 ARG CB C 33 29.966 30.300 -0.334 1
1 297 . 16 1 1 A 33 33 ARG C C 33 178.497 178.722 -0.225 1
1 298 . 16 1 1 A 34 34 VAL N N 34 116.278 117.588 -1.310 1
1 299 . 16 1 1 A 34 34 VAL H H 34 7.886 7.501 0.385 1
1 300 . 16 1 1 A 34 34 VAL CA C 34 64.069 63.898 0.171 1
1 301 . 16 1 1 A 34 34 VAL HA H 34 3.900 3.875 0.025 1
1 302 . 16 1 1 A 34 34 VAL CB C 34 31.122 30.993 0.129 1
1 312 . 16 1 1 A 34 34 VAL C C 34 177.295 176.377 0.918 1
1 313 . 16 1 1 A 35 35 HIS N N 35 117.224 119.217 -1.993 1
1 314 . 16 1 1 A 35 35 HIS H H 35 7.217 7.533 -0.316 1
1 315 . 16 1 1 A 35 35 HIS CA C 35 55.233 55.325 -0.092 1
1 316 . 16 1 1 A 35 35 HIS HA H 35 4.864 4.792 0.072 1
1 317 . 16 1 1 A 35 35 HIS CB C 35 28.692 30.406 -1.714 1
1 324 . 16 1 1 A 35 35 HIS C C 35 175.824 174.867 0.957 1
1 325 . 16 1 1 A 36 36 THR N N 36 111.706 113.686 -1.980 1
1 326 . 16 1 1 A 36 36 THR H H 36 7.770 7.675 0.095 1
1 327 . 16 1 1 A 36 36 THR CA C 36 62.523 63.505 -0.982 1
1 328 . 16 1 1 A 36 36 THR HA H 36 4.347 4.056 0.291 1
1 329 . 16 1 1 A 36 36 THR CB C 36 69.863 68.379 1.484 1
1 335 . 16 1 1 A 36 36 THR C C 36 175.637 174.984 0.653 1
1 336 . 16 1 1 A 37 37 GLY N N 37 110.627 113.641 -3.014 1
1 337 . 16 1 1 A 37 37 GLY H H 37 8.221 8.852 -0.631 1
1 338 . 16 1 1 A 37 37 GLY CA C 37 45.344 44.756 0.588 1
1 339 . 16 1 1 A 37 37 GLY HA2 H 37 4.018 4.182 -0.164 1
1 340 . 16 1 1 A 37 37 GLY HA3 H 37 3.943 4.182 -0.239 1
1 341 . 16 1 1 A 37 37 GLY C C 37 174.070 173.158 0.912 1
1 342 . 16 1 1 A 38 38 GLU N N 38 120.538 122.636 -2.098 1
1 343 . 16 1 1 A 38 38 GLU H H 38 8.081 8.655 -0.574 1
1 344 . 16 1 1 A 38 38 GLU CA C 38 56.425 55.563 0.862 1
1 345 . 16 1 1 A 38 38 GLU HA H 38 4.240 4.868 -0.628 1
1 346 . 16 1 1 A 38 38 GLU CB C 38 30.510 31.255 -0.745 1
1 352 . 16 1 1 A 38 38 GLU C C 38 176.244 175.878 0.366 1
1 353 . 16 1 1 A 39 39 LYS N N 39 123.780 118.337 5.443 1
1 354 . 16 1 1 A 39 39 LYS H H 39 8.381 8.884 -0.503 1
1 355 . 16 1 1 A 39 39 LYS CA C 39 54.135 53.130 1.005 1
1 356 . 16 1 1 A 39 39 LYS HA H 39 4.593 4.913 -0.320 1
1 357 . 16 1 1 A 39 39 LYS CB C 39 32.496 35.329 -2.833 1
1 369 . 16 1 1 A 39 39 LYS C C 39 174.521 176.281 -1.760 1
1 370 . 16 1 1 A 40 40 PRO CA C 40 63.225 65.071 -1.846 1
1 371 . 16 1 1 A 40 40 PRO HA H 40 4.452 4.364 0.088 1
1 372 . 16 1 1 A 40 40 PRO CB C 40 32.181 32.020 0.161 1
1 381 . 16 1 1 A 40 40 PRO C C 40 176.999 176.800 0.199 1
1 382 . 16 1 1 A 41 41 SER N N 41 116.501 111.532 4.969 1
1 383 . 16 1 1 A 41 41 SER H H 41 8.466 8.036 0.430 1
1 384 . 16 1 1 A 41 41 SER CA C 41 58.367 57.657 0.710 1
1 385 . 16 1 1 A 41 41 SER HA H 41 4.512 4.777 -0.265 1
1 386 . 16 1 1 A 41 41 SER CB C 41 63.986 63.983 0.003 1
1 388 . 16 1 1 A 41 41 SER C C 41 174.682 174.612 0.070 1
1 389 . 16 1 1 A 42 42 GLY CA C 42 44.661 45.110 -0.449 1
1 390 . 16 1 1 A 42 42 GLY HA2 H 42 4.099 3.953 0.146 1
1 391 . 16 1 1 A 42 42 GLY HA3 H 42 4.147 3.953 0.194 1
1 392 . 16 1 1 A 43 43 PRO CA C 43 63.240 62.624 0.616 1
1 393 . 16 1 1 A 43 43 PRO HA H 43 4.463 4.712 -0.249 1
1 394 . 16 1 1 A 43 43 PRO CB C 43 32.179 30.586 1.593 1
1 403 . 16 1 1 A 45 45 SER CA C 45 58.420 59.553 -1.133 1
1 404 . 16 1 1 A 45 45 SER HA H 45 4.496 4.552 -0.056 1
1 405 . 16 1 1 A 45 45 SER CB C 45 63.789 64.615 -0.826 1
1 407 . 16 1 1 A 45 45 SER C C 45 173.912 175.527 -1.615 1
1 1 . 17 1 1 A 9 9 GLY CA C 9 45.161 44.780 0.381 1
1 2 . 17 1 1 A 9 9 GLY HA2 H 9 3.930 4.064 -0.134 1
1 3 . 17 1 1 A 9 9 GLY C C 9 174.105 174.174 -0.069 1
1 4 . 17 1 1 A 10 10 GLU N N 10 120.165 121.419 -1.254 1
1 5 . 17 1 1 A 10 10 GLU H H 10 8.176 9.234 -1.058 1
1 6 . 17 1 1 A 10 10 GLU CA C 10 56.826 57.660 -0.834 1
1 7 . 17 1 1 A 10 10 GLU HA H 10 4.181 3.934 0.247 1
1 8 . 17 1 1 A 10 10 GLU CB C 10 30.258 29.187 1.071 1
1 14 . 17 1 1 A 10 10 GLU C C 10 176.388 176.263 0.125 1
1 15 . 17 1 1 A 11 11 LYS N N 11 121.439 120.831 0.608 1
1 16 . 17 1 1 A 11 11 LYS H H 11 8.315 7.763 0.552 1
1 17 . 17 1 1 A 11 11 LYS CA C 11 53.977 54.441 -0.464 1
1 18 . 17 1 1 A 11 11 LYS HA H 11 4.539 4.493 0.046 1
1 19 . 17 1 1 A 11 11 LYS CB C 11 33.584 33.449 0.135 1
1 31 . 17 1 1 A 11 11 LYS C C 11 174.251 176.568 -2.317 1
1 32 . 17 1 1 A 12 12 PRO CA C 12 63.666 64.632 -0.966 1
1 33 . 17 1 1 A 12 12 PRO HA H 12 4.244 4.335 -0.091 1
1 34 . 17 1 1 A 12 12 PRO CB C 12 32.293 31.633 0.660 1
1 43 . 17 1 1 A 12 12 PRO C C 12 176.348 176.147 0.201 1
1 44 . 17 1 1 A 13 13 PHE N N 13 117.694 117.455 0.239 1
1 45 . 17 1 1 A 13 13 PHE H H 13 7.752 7.924 -0.172 1
1 46 . 17 1 1 A 13 13 PHE CA C 13 57.418 56.871 0.547 1
1 47 . 17 1 1 A 13 13 PHE HA H 13 4.709 4.819 -0.110 1
1 48 . 17 1 1 A 13 13 PHE CB C 13 39.785 37.777 2.008 1
1 61 . 17 1 1 A 13 13 PHE C C 13 174.405 175.085 -0.680 1
1 62 . 17 1 1 A 14 14 GLN N N 14 124.070 121.894 2.176 1
1 63 . 17 1 1 A 14 14 GLN H H 14 8.923 8.816 0.107 1
1 64 . 17 1 1 A 14 14 GLN CA C 14 54.279 54.317 -0.038 1
1 65 . 17 1 1 A 14 14 GLN HA H 14 5.160 5.433 -0.273 1
1 66 . 17 1 1 A 14 14 GLN CB C 14 32.341 31.831 0.510 1
1 75 . 17 1 1 A 14 14 GLN C C 14 173.888 175.275 -1.387 1
1 76 . 17 1 1 A 15 15 CYS N N 15 117.013 122.384 -5.371 1
1 77 . 17 1 1 A 15 15 CYS H H 15 9.281 9.095 0.186 1
1 78 . 17 1 1 A 15 15 CYS CA C 15 59.545 59.102 0.443 1
1 79 . 17 1 1 A 15 15 CYS HA H 15 4.571 4.776 -0.205 1
1 80 . 17 1 1 A 15 15 CYS CB C 15 29.720 29.016 0.704 1
1 83 . 17 1 1 A 15 15 CYS C C 15 177.248 174.656 2.592 1
1 84 . 17 1 1 A 16 16 GLU N N 16 121.917 124.028 -2.111 1
1 85 . 17 1 1 A 16 16 GLU H H 16 9.724 8.960 0.764 1
1 86 . 17 1 1 A 16 16 GLU CA C 16 58.765 56.974 1.791 1
1 87 . 17 1 1 A 16 16 GLU HA H 16 4.143 4.523 -0.380 1
1 88 . 17 1 1 A 16 16 GLU CB C 16 29.678 31.386 -1.708 1
1 94 . 17 1 1 A 16 16 GLU C C 16 177.332 177.927 -0.595 1
1 95 . 17 1 1 A 17 17 GLU N N 17 125.342 117.905 7.437 1
1 96 . 17 1 1 A 17 17 GLU H H 17 7.948 8.027 -0.079 1
1 97 . 17 1 1 A 17 17 GLU CA C 17 58.478 56.686 1.792 1
1 98 . 17 1 1 A 17 17 GLU HA H 17 4.195 4.345 -0.150 1
1 99 . 17 1 1 A 17 17 GLU CB C 17 29.553 30.551 -0.998 1
1 105 . 17 1 1 A 17 17 GLU C C 17 176.702 177.563 -0.861 1
1 106 . 17 1 1 A 18 18 CYS N N 18 120.318 115.294 5.024 1
1 107 . 17 1 1 A 18 18 CYS H H 18 8.582 7.877 0.705 1
1 108 . 17 1 1 A 18 18 CYS CA C 18 58.297 58.585 -0.288 1
1 109 . 17 1 1 A 18 18 CYS HA H 18 5.188 4.650 0.538 1
1 110 . 17 1 1 A 18 18 CYS CB C 18 32.633 30.248 2.385 1
1 113 . 17 1 1 A 18 18 CYS C C 18 176.394 176.054 0.340 1
1 114 . 17 1 1 A 19 19 GLY N N 19 113.672 111.337 2.335 1
1 115 . 17 1 1 A 19 19 GLY H H 19 8.197 8.226 -0.029 1
1 116 . 17 1 1 A 19 19 GLY CA C 19 46.144 46.614 -0.470 1
1 117 . 17 1 1 A 19 19 GLY HA2 H 19 4.273 3.944 0.329 1
1 118 . 17 1 1 A 19 19 GLY HA3 H 19 3.815 3.974 -0.159 1
1 119 . 17 1 1 A 19 19 GLY C C 19 174.170 175.029 -0.859 1
1 120 . 17 1 1 A 20 20 LYS N N 20 123.697 120.322 3.375 1
1 121 . 17 1 1 A 20 20 LYS H H 20 8.041 7.492 0.549 1
1 122 . 17 1 1 A 20 20 LYS CA C 20 58.531 56.630 1.901 1
1 123 . 17 1 1 A 20 20 LYS HA H 20 3.945 4.240 -0.295 1
1 124 . 17 1 1 A 20 20 LYS CB C 20 33.689 33.661 0.028 1
1 136 . 17 1 1 A 20 20 LYS C C 20 174.434 175.135 -0.701 1
1 137 . 17 1 1 A 21 21 ARG N N 21 119.834 118.730 1.104 1
1 138 . 17 1 1 A 21 21 ARG H H 21 7.850 7.907 -0.057 1
1 139 . 17 1 1 A 21 21 ARG CA C 21 54.746 54.143 0.603 1
1 140 . 17 1 1 A 21 21 ARG HA H 21 5.181 5.065 0.116 1
1 141 . 17 1 1 A 21 21 ARG CB C 21 33.630 33.562 0.068 1
1 150 . 17 1 1 A 21 21 ARG C C 21 175.430 174.445 0.985 1
1 151 . 17 1 1 A 22 22 PHE N N 22 116.396 121.230 -4.834 1
1 152 . 17 1 1 A 22 22 PHE H H 22 8.788 8.594 0.194 1
1 153 . 17 1 1 A 22 22 PHE CA C 22 57.095 56.940 0.155 1
1 154 . 17 1 1 A 22 22 PHE HA H 22 4.895 4.772 0.123 1
1 155 . 17 1 1 A 22 22 PHE CB C 22 44.347 43.310 1.037 1
1 168 . 17 1 1 A 22 22 PHE C C 22 175.617 175.648 -0.031 1
1 169 . 17 1 1 A 23 23 THR N N 23 112.933 115.363 -2.430 1
1 170 . 17 1 1 A 23 23 THR H H 23 9.631 8.719 0.912 1
1 171 . 17 1 1 A 23 23 THR CA C 23 64.070 62.979 1.091 1
1 172 . 17 1 1 A 23 23 THR HA H 23 4.522 4.463 0.059 1
1 173 . 17 1 1 A 23 23 THR CB C 23 69.777 69.074 0.703 1
1 179 . 17 1 1 A 23 23 THR C C 23 174.715 174.242 0.473 1
1 180 . 17 1 1 A 24 24 GLN N N 24 115.100 119.975 -4.875 1
1 181 . 17 1 1 A 24 24 GLN H H 24 7.065 7.738 -0.673 1
1 182 . 17 1 1 A 24 24 GLN CA C 24 53.879 53.963 -0.084 1
1 183 . 17 1 1 A 24 24 GLN HA H 24 4.636 4.153 0.483 1
1 184 . 17 1 1 A 24 24 GLN CB C 24 31.873 31.171 0.702 1
1 193 . 17 1 1 A 24 24 GLN C C 24 175.862 175.516 0.346 1
1 194 . 17 1 1 A 25 25 ASN CA C 25 55.617 55.832 -0.215 1
1 195 . 17 1 1 A 25 25 ASN HA H 25 3.376 4.183 -0.807 1
1 196 . 17 1 1 A 25 25 ASN CB C 25 38.001 37.422 0.579 1
1 202 . 17 1 1 A 26 26 SER CA C 26 60.922 61.653 -0.731 1
1 203 . 17 1 1 A 26 26 SER HA H 26 4.009 3.914 0.095 1
1 204 . 17 1 1 A 26 26 SER CB C 26 61.595 62.905 -1.310 1
1 207 . 17 1 1 A 26 26 SER C C 26 177.198 176.782 0.416 1
1 208 . 17 1 1 A 27 27 HIS N N 27 121.685 118.946 2.739 1
1 209 . 17 1 1 A 27 27 HIS H H 27 6.680 7.751 -1.071 1
1 210 . 17 1 1 A 27 27 HIS CA C 27 56.723 58.720 -1.997 1
1 211 . 17 1 1 A 27 27 HIS HA H 27 4.500 4.270 0.230 1
1 212 . 17 1 1 A 27 27 HIS CB C 27 31.798 29.431 2.367 1
1 219 . 17 1 1 A 27 27 HIS C C 27 178.161 177.502 0.659 1
1 220 . 17 1 1 A 28 28 LEU N N 28 121.741 120.471 1.270 1
1 221 . 17 1 1 A 28 28 LEU H H 28 6.910 8.035 -1.125 1
1 222 . 17 1 1 A 28 28 LEU CA C 28 57.762 57.549 0.213 1
1 223 . 17 1 1 A 28 28 LEU HA H 28 3.087 3.004 0.083 1
1 224 . 17 1 1 A 28 28 LEU CB C 28 40.341 41.573 -1.232 1
1 237 . 17 1 1 A 28 28 LEU C C 28 177.649 178.707 -1.058 1
1 238 . 17 1 1 A 29 29 HIS N N 29 118.276 118.553 -0.277 1
1 239 . 17 1 1 A 29 29 HIS H H 29 8.195 8.748 -0.553 1
1 240 . 17 1 1 A 29 29 HIS CA C 29 59.210 59.483 -0.273 1
1 241 . 17 1 1 A 29 29 HIS HA H 29 4.387 4.248 0.139 1
1 242 . 17 1 1 A 29 29 HIS CB C 29 29.860 29.819 0.041 1
1 249 . 17 1 1 A 29 29 HIS C C 29 178.599 177.968 0.631 1
1 250 . 17 1 1 A 30 30 SER N N 30 113.782 115.058 -1.276 1
1 251 . 17 1 1 A 30 30 SER H H 30 7.957 8.396 -0.439 1
1 252 . 17 1 1 A 30 30 SER CA C 30 61.487 61.549 -0.062 1
1 253 . 17 1 1 A 30 30 SER HA H 30 4.135 4.229 -0.094 1
1 254 . 17 1 1 A 30 30 SER CB C 30 62.677 62.506 0.171 1
1 257 . 17 1 1 A 30 30 SER C C 30 176.976 176.669 0.307 1
1 258 . 17 1 1 A 31 31 HIS N N 31 121.068 122.026 -0.958 1
1 259 . 17 1 1 A 31 31 HIS H H 31 7.669 7.767 -0.098 1
1 260 . 17 1 1 A 31 31 HIS CA C 31 58.850 60.056 -1.206 1
1 261 . 17 1 1 A 31 31 HIS HA H 31 4.253 4.132 0.121 1
1 262 . 17 1 1 A 31 31 HIS CB C 31 28.477 29.509 -1.032 1
1 269 . 17 1 1 A 31 31 HIS C C 31 175.956 177.567 -1.611 1
1 270 . 17 1 1 A 32 32 GLN N N 32 115.453 118.097 -2.644 1
1 271 . 17 1 1 A 32 32 GLN H H 32 8.123 8.334 -0.211 1
1 272 . 17 1 1 A 32 32 GLN CA C 32 59.264 59.355 -0.091 1
1 273 . 17 1 1 A 32 32 GLN HA H 32 3.659 3.915 -0.256 1
1 274 . 17 1 1 A 32 32 GLN CB C 32 28.152 28.382 -0.230 1
1 283 . 17 1 1 A 32 32 GLN C C 32 177.332 178.891 -1.559 1
1 284 . 17 1 1 A 33 33 ARG N N 33 117.364 119.915 -2.551 1
1 285 . 17 1 1 A 33 33 ARG H H 33 7.077 7.437 -0.360 1
1 286 . 17 1 1 A 33 33 ARG CA C 33 58.389 58.828 -0.439 1
1 287 . 17 1 1 A 33 33 ARG HA H 33 4.131 4.081 0.050 1
1 288 . 17 1 1 A 33 33 ARG CB C 33 29.966 29.883 0.083 1
1 297 . 17 1 1 A 33 33 ARG C C 33 178.497 179.350 -0.853 1
1 298 . 17 1 1 A 34 34 VAL N N 34 116.278 118.874 -2.596 1
1 299 . 17 1 1 A 34 34 VAL H H 34 7.886 8.073 -0.187 1
1 300 . 17 1 1 A 34 34 VAL CA C 34 64.069 64.349 -0.280 1
1 301 . 17 1 1 A 34 34 VAL HA H 34 3.900 3.692 0.208 1
1 302 . 17 1 1 A 34 34 VAL CB C 34 31.122 31.142 -0.020 1
1 312 . 17 1 1 A 34 34 VAL C C 34 177.295 176.490 0.805 1
1 313 . 17 1 1 A 35 35 HIS N N 35 117.224 116.915 0.309 1
1 314 . 17 1 1 A 35 35 HIS H H 35 7.217 7.934 -0.717 1
1 315 . 17 1 1 A 35 35 HIS CA C 35 55.233 55.136 0.097 1
1 316 . 17 1 1 A 35 35 HIS HA H 35 4.864 4.686 0.178 1
1 317 . 17 1 1 A 35 35 HIS CB C 35 28.692 29.346 -0.654 1
1 324 . 17 1 1 A 35 35 HIS C C 35 175.824 174.907 0.917 1
1 325 . 17 1 1 A 36 36 THR N N 36 111.706 113.274 -1.568 1
1 326 . 17 1 1 A 36 36 THR H H 36 7.770 8.024 -0.254 1
1 327 . 17 1 1 A 36 36 THR CA C 36 62.523 62.616 -0.093 1
1 328 . 17 1 1 A 36 36 THR HA H 36 4.347 3.982 0.365 1
1 329 . 17 1 1 A 36 36 THR CB C 36 69.863 69.215 0.648 1
1 335 . 17 1 1 A 36 36 THR C C 36 175.637 174.368 1.269 1
1 336 . 17 1 1 A 37 37 GLY N N 37 110.627 110.659 -0.032 1
1 337 . 17 1 1 A 37 37 GLY H H 37 8.221 8.367 -0.146 1
1 338 . 17 1 1 A 37 37 GLY CA C 37 45.344 45.883 -0.539 1
1 339 . 17 1 1 A 37 37 GLY HA2 H 37 4.018 4.120 -0.102 1
1 340 . 17 1 1 A 37 37 GLY HA3 H 37 3.943 4.122 -0.179 1
1 341 . 17 1 1 A 37 37 GLY C C 37 174.070 173.814 0.256 1
1 342 . 17 1 1 A 38 38 GLU N N 38 120.538 120.003 0.535 1
1 343 . 17 1 1 A 38 38 GLU H H 38 8.081 7.988 0.093 1
1 344 . 17 1 1 A 38 38 GLU CA C 38 56.425 55.635 0.790 1
1 345 . 17 1 1 A 38 38 GLU HA H 38 4.240 4.707 -0.467 1
1 346 . 17 1 1 A 38 38 GLU CB C 38 30.510 31.202 -0.692 1
1 352 . 17 1 1 A 38 38 GLU C C 38 176.244 175.784 0.460 1
1 353 . 17 1 1 A 39 39 LYS N N 39 123.780 118.808 4.972 1
1 354 . 17 1 1 A 39 39 LYS H H 39 8.381 8.996 -0.615 1
1 355 . 17 1 1 A 39 39 LYS CA C 39 54.135 54.005 0.130 1
1 356 . 17 1 1 A 39 39 LYS HA H 39 4.593 4.925 -0.332 1
1 357 . 17 1 1 A 39 39 LYS CB C 39 32.496 35.876 -3.380 1
1 369 . 17 1 1 A 39 39 LYS C C 39 174.521 173.458 1.063 1
1 370 . 17 1 1 A 40 40 PRO CA C 40 63.225 62.812 0.413 1
1 371 . 17 1 1 A 40 40 PRO HA H 40 4.452 4.472 -0.020 1
1 372 . 17 1 1 A 40 40 PRO CB C 40 32.181 31.729 0.452 1
1 381 . 17 1 1 A 40 40 PRO C C 40 176.999 177.296 -0.297 1
1 382 . 17 1 1 A 41 41 SER N N 41 116.501 115.415 1.086 1
1 383 . 17 1 1 A 41 41 SER H H 41 8.466 8.466 0.000 1
1 384 . 17 1 1 A 41 41 SER CA C 41 58.367 58.385 -0.018 1
1 385 . 17 1 1 A 41 41 SER HA H 41 4.512 4.400 0.112 1
1 386 . 17 1 1 A 41 41 SER CB C 41 63.986 63.702 0.284 1
1 388 . 17 1 1 A 41 41 SER C C 41 174.682 174.855 -0.173 1
1 389 . 17 1 1 A 42 42 GLY CA C 42 44.661 44.186 0.475 1
1 390 . 17 1 1 A 42 42 GLY HA2 H 42 4.099 4.092 0.007 1
1 391 . 17 1 1 A 42 42 GLY HA3 H 42 4.147 4.092 0.055 1
1 392 . 17 1 1 A 43 43 PRO CA C 43 63.240 62.329 0.911 1
1 393 . 17 1 1 A 43 43 PRO HA H 43 4.463 4.501 -0.038 1
1 394 . 17 1 1 A 43 43 PRO CB C 43 32.179 29.823 2.356 1
1 403 . 17 1 1 A 45 45 SER CA C 45 58.420 59.082 -0.662 1
1 404 . 17 1 1 A 45 45 SER HA H 45 4.496 4.402 0.094 1
1 405 . 17 1 1 A 45 45 SER CB C 45 63.789 63.137 0.652 1
1 407 . 17 1 1 A 45 45 SER C C 45 173.912 175.567 -1.655 1
1 1 . 18 1 1 A 9 9 GLY CA C 9 45.161 45.676 -0.515 1
1 2 . 18 1 1 A 9 9 GLY HA2 H 9 3.930 4.184 -0.254 1
1 3 . 18 1 1 A 9 9 GLY C C 9 174.105 173.473 0.632 1
1 4 . 18 1 1 A 10 10 GLU N N 10 120.165 123.730 -3.565 1
1 5 . 18 1 1 A 10 10 GLU H H 10 8.176 8.748 -0.572 1
1 6 . 18 1 1 A 10 10 GLU CA C 10 56.826 56.198 0.628 1
1 7 . 18 1 1 A 10 10 GLU HA H 10 4.181 4.604 -0.423 1
1 8 . 18 1 1 A 10 10 GLU CB C 10 30.258 30.465 -0.207 1
1 14 . 18 1 1 A 10 10 GLU C C 10 176.388 175.510 0.878 1
1 15 . 18 1 1 A 11 11 LYS N N 11 121.439 125.226 -3.787 1
1 16 . 18 1 1 A 11 11 LYS H H 11 8.315 8.566 -0.251 1
1 17 . 18 1 1 A 11 11 LYS CA C 11 53.977 52.754 1.223 1
1 18 . 18 1 1 A 11 11 LYS HA H 11 4.539 4.761 -0.222 1
1 19 . 18 1 1 A 11 11 LYS CB C 11 33.584 35.441 -1.857 1
1 31 . 18 1 1 A 11 11 LYS C C 11 174.251 175.778 -1.527 1
1 32 . 18 1 1 A 12 12 PRO CA C 12 63.666 64.430 -0.764 1
1 33 . 18 1 1 A 12 12 PRO HA H 12 4.244 4.279 -0.035 1
1 34 . 18 1 1 A 12 12 PRO CB C 12 32.293 31.614 0.679 1
1 43 . 18 1 1 A 12 12 PRO C C 12 176.348 176.137 0.211 1
1 44 . 18 1 1 A 13 13 PHE N N 13 117.694 117.371 0.323 1
1 45 . 18 1 1 A 13 13 PHE H H 13 7.752 7.784 -0.032 1
1 46 . 18 1 1 A 13 13 PHE CA C 13 57.418 56.809 0.609 1
1 47 . 18 1 1 A 13 13 PHE HA H 13 4.709 4.829 -0.120 1
1 48 . 18 1 1 A 13 13 PHE CB C 13 39.785 38.159 1.626 1
1 61 . 18 1 1 A 13 13 PHE C C 13 174.405 175.196 -0.791 1
1 62 . 18 1 1 A 14 14 GLN N N 14 124.070 122.579 1.491 1
1 63 . 18 1 1 A 14 14 GLN H H 14 8.923 8.780 0.143 1
1 64 . 18 1 1 A 14 14 GLN CA C 14 54.279 53.998 0.281 1
1 65 . 18 1 1 A 14 14 GLN HA H 14 5.160 5.403 -0.243 1
1 66 . 18 1 1 A 14 14 GLN CB C 14 32.341 31.880 0.461 1
1 75 . 18 1 1 A 14 14 GLN C C 14 173.888 175.114 -1.226 1
1 76 . 18 1 1 A 15 15 CYS N N 15 117.013 122.771 -5.758 1
1 77 . 18 1 1 A 15 15 CYS H H 15 9.281 9.102 0.179 1
1 78 . 18 1 1 A 15 15 CYS CA C 15 59.545 59.125 0.420 1
1 79 . 18 1 1 A 15 15 CYS HA H 15 4.571 4.768 -0.197 1
1 80 . 18 1 1 A 15 15 CYS CB C 15 29.720 28.907 0.813 1
1 83 . 18 1 1 A 15 15 CYS C C 15 177.248 175.079 2.169 1
1 84 . 18 1 1 A 16 16 GLU N N 16 121.917 124.092 -2.175 1
1 85 . 18 1 1 A 16 16 GLU H H 16 9.724 9.162 0.562 1
1 86 . 18 1 1 A 16 16 GLU CA C 16 58.765 56.508 2.257 1
1 87 . 18 1 1 A 16 16 GLU HA H 16 4.143 4.674 -0.531 1
1 88 . 18 1 1 A 16 16 GLU CB C 16 29.678 31.071 -1.393 1
1 94 . 18 1 1 A 16 16 GLU C C 16 177.332 177.017 0.315 1
1 95 . 18 1 1 A 17 17 GLU N N 17 125.342 119.300 6.042 1
1 96 . 18 1 1 A 17 17 GLU H H 17 7.948 8.217 -0.269 1
1 97 . 18 1 1 A 17 17 GLU CA C 17 58.478 57.976 0.502 1
1 98 . 18 1 1 A 17 17 GLU HA H 17 4.195 4.201 -0.006 1
1 99 . 18 1 1 A 17 17 GLU CB C 17 29.553 29.972 -0.419 1
1 105 . 18 1 1 A 17 17 GLU C C 17 176.702 177.357 -0.655 1
1 106 . 18 1 1 A 18 18 CYS N N 18 120.318 115.244 5.074 1
1 107 . 18 1 1 A 18 18 CYS H H 18 8.582 7.901 0.681 1
1 108 . 18 1 1 A 18 18 CYS CA C 18 58.297 58.587 -0.290 1
1 109 . 18 1 1 A 18 18 CYS HA H 18 5.188 4.691 0.497 1
1 110 . 18 1 1 A 18 18 CYS CB C 18 32.633 29.605 3.028 1
1 113 . 18 1 1 A 18 18 CYS C C 18 176.394 175.796 0.598 1
1 114 . 18 1 1 A 19 19 GLY N N 19 113.672 111.010 2.662 1
1 115 . 18 1 1 A 19 19 GLY H H 19 8.197 8.179 0.018 1
1 116 . 18 1 1 A 19 19 GLY CA C 19 46.144 47.107 -0.963 1
1 117 . 18 1 1 A 19 19 GLY HA2 H 19 4.273 3.933 0.340 1
1 118 . 18 1 1 A 19 19 GLY HA3 H 19 3.815 3.966 -0.151 1
1 119 . 18 1 1 A 19 19 GLY C C 19 174.170 174.641 -0.471 1
1 120 . 18 1 1 A 20 20 LYS N N 20 123.697 119.165 4.532 1
1 121 . 18 1 1 A 20 20 LYS H H 20 8.041 8.135 -0.094 1
1 122 . 18 1 1 A 20 20 LYS CA C 20 58.531 55.515 3.016 1
1 123 . 18 1 1 A 20 20 LYS HA H 20 3.945 4.426 -0.481 1
1 124 . 18 1 1 A 20 20 LYS CB C 20 33.689 33.758 -0.069 1
1 136 . 18 1 1 A 20 20 LYS C C 20 174.434 175.353 -0.919 1
1 137 . 18 1 1 A 21 21 ARG N N 21 119.834 118.972 0.862 1
1 138 . 18 1 1 A 21 21 ARG H H 21 7.850 7.814 0.036 1
1 139 . 18 1 1 A 21 21 ARG CA C 21 54.746 54.574 0.172 1
1 140 . 18 1 1 A 21 21 ARG HA H 21 5.181 4.850 0.331 1
1 141 . 18 1 1 A 21 21 ARG CB C 21 33.630 32.240 1.390 1
1 150 . 18 1 1 A 21 21 ARG C C 21 175.430 174.861 0.569 1
1 151 . 18 1 1 A 22 22 PHE N N 22 116.396 121.985 -5.589 1
1 152 . 18 1 1 A 22 22 PHE H H 22 8.788 8.573 0.215 1
1 153 . 18 1 1 A 22 22 PHE CA C 22 57.095 57.092 0.003 1
1 154 . 18 1 1 A 22 22 PHE HA H 22 4.895 4.895 0.000 1
1 155 . 18 1 1 A 22 22 PHE CB C 22 44.347 42.962 1.385 1
1 168 . 18 1 1 A 22 22 PHE C C 22 175.617 175.743 -0.126 1
1 169 . 18 1 1 A 23 23 THR N N 23 112.933 116.693 -3.760 1
1 170 . 18 1 1 A 23 23 THR H H 23 9.631 8.739 0.892 1
1 171 . 18 1 1 A 23 23 THR CA C 23 64.070 64.658 -0.588 1
1 172 . 18 1 1 A 23 23 THR HA H 23 4.522 4.506 0.016 1
1 173 . 18 1 1 A 23 23 THR CB C 23 69.777 69.439 0.338 1
1 179 . 18 1 1 A 23 23 THR C C 23 174.715 174.678 0.037 1
1 180 . 18 1 1 A 24 24 GLN N N 24 115.100 119.681 -4.581 1
1 181 . 18 1 1 A 24 24 GLN H H 24 7.065 7.608 -0.543 1
1 182 . 18 1 1 A 24 24 GLN CA C 24 53.879 54.313 -0.434 1
1 183 . 18 1 1 A 24 24 GLN HA H 24 4.636 4.184 0.452 1
1 184 . 18 1 1 A 24 24 GLN CB C 24 31.873 30.653 1.220 1
1 193 . 18 1 1 A 24 24 GLN C C 24 175.862 175.972 -0.110 1
1 194 . 18 1 1 A 25 25 ASN CA C 25 55.617 55.737 -0.120 1
1 195 . 18 1 1 A 25 25 ASN HA H 25 3.376 4.025 -0.649 1
1 196 . 18 1 1 A 25 25 ASN CB C 25 38.001 36.959 1.042 1
1 202 . 18 1 1 A 26 26 SER CA C 26 60.922 61.345 -0.423 1
1 203 . 18 1 1 A 26 26 SER HA H 26 4.009 3.964 0.045 1
1 204 . 18 1 1 A 26 26 SER CB C 26 61.595 63.022 -1.427 1
1 207 . 18 1 1 A 26 26 SER C C 26 177.198 177.425 -0.227 1
1 208 . 18 1 1 A 27 27 HIS N N 27 121.685 119.703 1.982 1
1 209 . 18 1 1 A 27 27 HIS H H 27 6.680 8.023 -1.343 1
1 210 . 18 1 1 A 27 27 HIS CA C 27 56.723 58.690 -1.967 1
1 211 . 18 1 1 A 27 27 HIS HA H 27 4.500 4.255 0.245 1
1 212 . 18 1 1 A 27 27 HIS CB C 27 31.798 29.479 2.319 1
1 219 . 18 1 1 A 27 27 HIS C C 27 178.161 177.267 0.894 1
1 220 . 18 1 1 A 28 28 LEU N N 28 121.741 120.414 1.327 1
1 221 . 18 1 1 A 28 28 LEU H H 28 6.910 7.678 -0.768 1
1 222 . 18 1 1 A 28 28 LEU CA C 28 57.762 57.741 0.021 1
1 223 . 18 1 1 A 28 28 LEU HA H 28 3.087 3.120 -0.033 1
1 224 . 18 1 1 A 28 28 LEU CB C 28 40.341 41.962 -1.621 1
1 237 . 18 1 1 A 28 28 LEU C C 28 177.649 178.584 -0.935 1
1 238 . 18 1 1 A 29 29 HIS N N 29 118.276 118.283 -0.007 1
1 239 . 18 1 1 A 29 29 HIS H H 29 8.195 8.570 -0.375 1
1 240 . 18 1 1 A 29 29 HIS CA C 29 59.210 59.278 -0.068 1
1 241 . 18 1 1 A 29 29 HIS HA H 29 4.387 4.278 0.109 1
1 242 . 18 1 1 A 29 29 HIS CB C 29 29.860 29.735 0.125 1
1 249 . 18 1 1 A 29 29 HIS C C 29 178.599 178.150 0.449 1
1 250 . 18 1 1 A 30 30 SER N N 30 113.782 115.504 -1.722 1
1 251 . 18 1 1 A 30 30 SER H H 30 7.957 8.718 -0.761 1
1 252 . 18 1 1 A 30 30 SER CA C 30 61.487 61.495 -0.008 1
1 253 . 18 1 1 A 30 30 SER HA H 30 4.135 4.213 -0.078 1
1 254 . 18 1 1 A 30 30 SER CB C 30 62.677 62.416 0.261 1
1 257 . 18 1 1 A 30 30 SER C C 30 176.976 176.738 0.238 1
1 258 . 18 1 1 A 31 31 HIS N N 31 121.068 122.139 -1.071 1
1 259 . 18 1 1 A 31 31 HIS H H 31 7.669 7.674 -0.005 1
1 260 . 18 1 1 A 31 31 HIS CA C 31 58.850 59.811 -0.961 1
1 261 . 18 1 1 A 31 31 HIS HA H 31 4.253 4.072 0.181 1
1 262 . 18 1 1 A 31 31 HIS CB C 31 28.477 29.524 -1.047 1
1 269 . 18 1 1 A 31 31 HIS C C 31 175.956 177.398 -1.442 1
1 270 . 18 1 1 A 32 32 GLN N N 32 115.453 118.216 -2.763 1
1 271 . 18 1 1 A 32 32 GLN H H 32 8.123 8.055 0.068 1
1 272 . 18 1 1 A 32 32 GLN CA C 32 59.264 59.017 0.247 1
1 273 . 18 1 1 A 32 32 GLN HA H 32 3.659 3.969 -0.310 1
1 274 . 18 1 1 A 32 32 GLN CB C 32 28.152 28.331 -0.179 1
1 283 . 18 1 1 A 32 32 GLN C C 32 177.332 178.652 -1.320 1
1 284 . 18 1 1 A 33 33 ARG N N 33 117.364 119.727 -2.363 1
1 285 . 18 1 1 A 33 33 ARG H H 33 7.077 7.788 -0.711 1
1 286 . 18 1 1 A 33 33 ARG CA C 33 58.389 59.028 -0.639 1
1 287 . 18 1 1 A 33 33 ARG HA H 33 4.131 4.040 0.091 1
1 288 . 18 1 1 A 33 33 ARG CB C 33 29.966 30.037 -0.071 1
1 297 . 18 1 1 A 33 33 ARG C C 33 178.497 179.087 -0.590 1
1 298 . 18 1 1 A 34 34 VAL N N 34 116.278 116.893 -0.615 1
1 299 . 18 1 1 A 34 34 VAL H H 34 7.886 7.662 0.224 1
1 300 . 18 1 1 A 34 34 VAL CA C 34 64.069 65.214 -1.145 1
1 301 . 18 1 1 A 34 34 VAL HA H 34 3.900 3.698 0.202 1
1 302 . 18 1 1 A 34 34 VAL CB C 34 31.122 31.084 0.038 1
1 312 . 18 1 1 A 34 34 VAL C C 34 177.295 176.529 0.766 1
1 313 . 18 1 1 A 35 35 HIS N N 35 117.224 119.421 -2.197 1
1 314 . 18 1 1 A 35 35 HIS H H 35 7.217 7.841 -0.624 1
1 315 . 18 1 1 A 35 35 HIS CA C 35 55.233 56.060 -0.827 1
1 316 . 18 1 1 A 35 35 HIS HA H 35 4.864 4.628 0.236 1
1 317 . 18 1 1 A 35 35 HIS CB C 35 28.692 29.249 -0.557 1
1 324 . 18 1 1 A 35 35 HIS C C 35 175.824 175.828 -0.004 1
1 325 . 18 1 1 A 36 36 THR N N 36 111.706 113.788 -2.082 1
1 326 . 18 1 1 A 36 36 THR H H 36 7.770 8.223 -0.453 1
1 327 . 18 1 1 A 36 36 THR CA C 36 62.523 64.598 -2.075 1
1 328 . 18 1 1 A 36 36 THR HA H 36 4.347 4.032 0.315 1
1 329 . 18 1 1 A 36 36 THR CB C 36 69.863 68.572 1.291 1
1 335 . 18 1 1 A 36 36 THR C C 36 175.637 175.261 0.376 1
1 336 . 18 1 1 A 37 37 GLY N N 37 110.627 110.654 -0.027 1
1 337 . 18 1 1 A 37 37 GLY H H 37 8.221 7.719 0.502 1
1 338 . 18 1 1 A 37 37 GLY CA C 37 45.344 45.163 0.181 1
1 339 . 18 1 1 A 37 37 GLY HA2 H 37 4.018 4.079 -0.061 1
1 340 . 18 1 1 A 37 37 GLY HA3 H 37 3.943 4.088 -0.145 1
1 341 . 18 1 1 A 37 37 GLY C C 37 174.070 174.713 -0.643 1
1 342 . 18 1 1 A 38 38 GLU N N 38 120.538 121.813 -1.275 1
1 343 . 18 1 1 A 38 38 GLU H H 38 8.081 8.235 -0.154 1
1 344 . 18 1 1 A 38 38 GLU CA C 38 56.425 56.416 0.009 1
1 345 . 18 1 1 A 38 38 GLU HA H 38 4.240 4.388 -0.148 1
1 346 . 18 1 1 A 38 38 GLU CB C 38 30.510 30.950 -0.440 1
1 352 . 18 1 1 A 38 38 GLU C C 38 176.244 175.674 0.570 1
1 353 . 18 1 1 A 39 39 LYS N N 39 123.780 125.028 -1.248 1
1 354 . 18 1 1 A 39 39 LYS H H 39 8.381 8.446 -0.065 1
1 355 . 18 1 1 A 39 39 LYS CA C 39 54.135 54.160 -0.025 1
1 356 . 18 1 1 A 39 39 LYS HA H 39 4.593 4.448 0.145 1
1 357 . 18 1 1 A 39 39 LYS CB C 39 32.496 33.273 -0.777 1
1 369 . 18 1 1 A 39 39 LYS C C 39 174.521 176.236 -1.715 1
1 370 . 18 1 1 A 40 40 PRO CA C 40 63.225 64.136 -0.911 1
1 371 . 18 1 1 A 40 40 PRO HA H 40 4.452 4.483 -0.031 1
1 372 . 18 1 1 A 40 40 PRO CB C 40 32.181 31.716 0.465 1
1 381 . 18 1 1 A 40 40 PRO C C 40 176.999 176.086 0.913 1
1 382 . 18 1 1 A 41 41 SER N N 41 116.501 112.440 4.061 1
1 383 . 18 1 1 A 41 41 SER H H 41 8.466 7.595 0.871 1
1 384 . 18 1 1 A 41 41 SER CA C 41 58.367 57.214 1.153 1
1 385 . 18 1 1 A 41 41 SER HA H 41 4.512 4.860 -0.348 1
1 386 . 18 1 1 A 41 41 SER CB C 41 63.986 65.504 -1.518 1
1 388 . 18 1 1 A 41 41 SER C C 41 174.682 173.155 1.527 1
1 389 . 18 1 1 A 42 42 GLY CA C 42 44.661 45.114 -0.453 1
1 390 . 18 1 1 A 42 42 GLY HA2 H 42 4.099 4.189 -0.090 1
1 391 . 18 1 1 A 42 42 GLY HA3 H 42 4.147 4.189 -0.042 1
1 392 . 18 1 1 A 43 43 PRO CA C 43 63.240 63.446 -0.206 1
1 393 . 18 1 1 A 43 43 PRO HA H 43 4.463 4.559 -0.096 1
1 394 . 18 1 1 A 43 43 PRO CB C 43 32.179 32.052 0.127 1
1 403 . 18 1 1 A 45 45 SER CA C 45 58.420 61.952 -3.532 1
1 404 . 18 1 1 A 45 45 SER HA H 45 4.496 4.261 0.235 1
1 405 . 18 1 1 A 45 45 SER CB C 45 63.789 63.364 0.425 1
1 407 . 18 1 1 A 45 45 SER C C 45 173.912 174.768 -0.856 1
1 1 . 19 1 1 A 9 9 GLY CA C 9 45.161 44.778 0.383 1
1 2 . 19 1 1 A 9 9 GLY HA2 H 9 3.930 4.234 -0.304 1
1 3 . 19 1 1 A 9 9 GLY C C 9 174.105 174.197 -0.092 1
1 4 . 19 1 1 A 10 10 GLU N N 10 120.165 122.396 -2.231 1
1 5 . 19 1 1 A 10 10 GLU H H 10 8.176 8.719 -0.543 1
1 6 . 19 1 1 A 10 10 GLU CA C 10 56.826 57.673 -0.847 1
1 7 . 19 1 1 A 10 10 GLU HA H 10 4.181 4.444 -0.263 1
1 8 . 19 1 1 A 10 10 GLU CB C 10 30.258 30.773 -0.515 1
1 14 . 19 1 1 A 10 10 GLU C C 10 176.388 177.077 -0.689 1
1 15 . 19 1 1 A 11 11 LYS N N 11 121.439 119.312 2.127 1
1 16 . 19 1 1 A 11 11 LYS H H 11 8.315 7.541 0.774 1
1 17 . 19 1 1 A 11 11 LYS CA C 11 53.977 54.171 -0.194 1
1 18 . 19 1 1 A 11 11 LYS HA H 11 4.539 4.407 0.132 1
1 19 . 19 1 1 A 11 11 LYS CB C 11 33.584 31.753 1.831 1
1 31 . 19 1 1 A 11 11 LYS C C 11 174.251 176.359 -2.108 1
1 32 . 19 1 1 A 12 12 PRO CA C 12 63.666 64.850 -1.184 1
1 33 . 19 1 1 A 12 12 PRO HA H 12 4.244 4.264 -0.020 1
1 34 . 19 1 1 A 12 12 PRO CB C 12 32.293 31.641 0.652 1
1 43 . 19 1 1 A 12 12 PRO C C 12 176.348 176.310 0.038 1
1 44 . 19 1 1 A 13 13 PHE N N 13 117.694 117.526 0.168 1
1 45 . 19 1 1 A 13 13 PHE H H 13 7.752 7.541 0.211 1
1 46 . 19 1 1 A 13 13 PHE CA C 13 57.418 57.152 0.266 1
1 47 . 19 1 1 A 13 13 PHE HA H 13 4.709 4.702 0.007 1
1 48 . 19 1 1 A 13 13 PHE CB C 13 39.785 38.068 1.717 1
1 61 . 19 1 1 A 13 13 PHE C C 13 174.405 175.412 -1.007 1
1 62 . 19 1 1 A 14 14 GLN N N 14 124.070 122.566 1.504 1
1 63 . 19 1 1 A 14 14 GLN H H 14 8.923 8.478 0.445 1
1 64 . 19 1 1 A 14 14 GLN CA C 14 54.279 54.301 -0.022 1
1 65 . 19 1 1 A 14 14 GLN HA H 14 5.160 5.442 -0.282 1
1 66 . 19 1 1 A 14 14 GLN CB C 14 32.341 31.688 0.653 1
1 75 . 19 1 1 A 14 14 GLN C C 14 173.888 175.207 -1.319 1
1 76 . 19 1 1 A 15 15 CYS N N 15 117.013 123.492 -6.479 1
1 77 . 19 1 1 A 15 15 CYS H H 15 9.281 9.161 0.120 1
1 78 . 19 1 1 A 15 15 CYS CA C 15 59.545 59.309 0.236 1
1 79 . 19 1 1 A 15 15 CYS HA H 15 4.571 4.729 -0.158 1
1 80 . 19 1 1 A 15 15 CYS CB C 15 29.720 28.996 0.724 1
1 83 . 19 1 1 A 15 15 CYS C C 15 177.248 174.810 2.438 1
1 84 . 19 1 1 A 16 16 GLU N N 16 121.917 123.979 -2.062 1
1 85 . 19 1 1 A 16 16 GLU H H 16 9.724 9.072 0.652 1
1 86 . 19 1 1 A 16 16 GLU CA C 16 58.765 56.818 1.947 1
1 87 . 19 1 1 A 16 16 GLU HA H 16 4.143 4.658 -0.515 1
1 88 . 19 1 1 A 16 16 GLU CB C 16 29.678 31.366 -1.688 1
1 94 . 19 1 1 A 16 16 GLU C C 16 177.332 177.279 0.053 1
1 95 . 19 1 1 A 17 17 GLU N N 17 125.342 119.449 5.893 1
1 96 . 19 1 1 A 17 17 GLU H H 17 7.948 8.069 -0.121 1
1 97 . 19 1 1 A 17 17 GLU CA C 17 58.478 58.217 0.261 1
1 98 . 19 1 1 A 17 17 GLU HA H 17 4.195 4.149 0.046 1
1 99 . 19 1 1 A 17 17 GLU CB C 17 29.553 29.732 -0.179 1
1 105 . 19 1 1 A 17 17 GLU C C 17 176.702 177.329 -0.627 1
1 106 . 19 1 1 A 18 18 CYS N N 18 120.318 114.959 5.359 1
1 107 . 19 1 1 A 18 18 CYS H H 18 8.582 7.887 0.695 1
1 108 . 19 1 1 A 18 18 CYS CA C 18 58.297 58.625 -0.328 1
1 109 . 19 1 1 A 18 18 CYS HA H 18 5.188 4.701 0.487 1
1 110 . 19 1 1 A 18 18 CYS CB C 18 32.633 29.942 2.691 1
1 113 . 19 1 1 A 18 18 CYS C C 18 176.394 175.637 0.757 1
1 114 . 19 1 1 A 19 19 GLY N N 19 113.672 110.891 2.781 1
1 115 . 19 1 1 A 19 19 GLY H H 19 8.197 8.149 0.048 1
1 116 . 19 1 1 A 19 19 GLY CA C 19 46.144 47.084 -0.940 1
1 117 . 19 1 1 A 19 19 GLY HA2 H 19 4.273 3.952 0.321 1
1 118 . 19 1 1 A 19 19 GLY HA3 H 19 3.815 4.000 -0.185 1
1 119 . 19 1 1 A 19 19 GLY C C 19 174.170 174.445 -0.275 1
1 120 . 19 1 1 A 20 20 LYS N N 20 123.697 118.726 4.971 1
1 121 . 19 1 1 A 20 20 LYS H H 20 8.041 8.196 -0.155 1
1 122 . 19 1 1 A 20 20 LYS CA C 20 58.531 54.570 3.961 1
1 123 . 19 1 1 A 20 20 LYS HA H 20 3.945 4.705 -0.760 1
1 124 . 19 1 1 A 20 20 LYS CB C 20 33.689 34.613 -0.924 1
1 136 . 19 1 1 A 20 20 LYS C C 20 174.434 175.422 -0.988 1
1 137 . 19 1 1 A 21 21 ARG N N 21 119.834 119.002 0.832 1
1 138 . 19 1 1 A 21 21 ARG H H 21 7.850 7.843 0.007 1
1 139 . 19 1 1 A 21 21 ARG CA C 21 54.746 54.312 0.434 1
1 140 . 19 1 1 A 21 21 ARG HA H 21 5.181 4.957 0.224 1
1 141 . 19 1 1 A 21 21 ARG CB C 21 33.630 33.109 0.521 1
1 150 . 19 1 1 A 21 21 ARG C C 21 175.430 174.783 0.647 1
1 151 . 19 1 1 A 22 22 PHE N N 22 116.396 121.015 -4.619 1
1 152 . 19 1 1 A 22 22 PHE H H 22 8.788 8.887 -0.099 1
1 153 . 19 1 1 A 22 22 PHE CA C 22 57.095 56.636 0.459 1
1 154 . 19 1 1 A 22 22 PHE HA H 22 4.895 4.834 0.061 1
1 155 . 19 1 1 A 22 22 PHE CB C 22 44.347 41.491 2.856 1
1 168 . 19 1 1 A 22 22 PHE C C 22 175.617 175.877 -0.260 1
1 169 . 19 1 1 A 23 23 THR N N 23 112.933 116.953 -4.020 1
1 170 . 19 1 1 A 23 23 THR H H 23 9.631 8.777 0.854 1
1 171 . 19 1 1 A 23 23 THR CA C 23 64.070 65.785 -1.715 1
1 172 . 19 1 1 A 23 23 THR HA H 23 4.522 4.164 0.358 1
1 173 . 19 1 1 A 23 23 THR CB C 23 69.777 68.751 1.026 1
1 179 . 19 1 1 A 23 23 THR C C 23 174.715 175.158 -0.443 1
1 180 . 19 1 1 A 24 24 GLN N N 24 115.100 120.467 -5.367 1
1 181 . 19 1 1 A 24 24 GLN H H 24 7.065 8.109 -1.044 1
1 182 . 19 1 1 A 24 24 GLN CA C 24 53.879 54.381 -0.502 1
1 183 . 19 1 1 A 24 24 GLN HA H 24 4.636 4.810 -0.174 1
1 184 . 19 1 1 A 24 24 GLN CB C 24 31.873 31.244 0.629 1
1 193 . 19 1 1 A 24 24 GLN C C 24 175.862 175.701 0.161 1
1 194 . 19 1 1 A 25 25 ASN CA C 25 55.617 56.293 -0.676 1
1 195 . 19 1 1 A 25 25 ASN HA H 25 3.376 3.527 -0.151 1
1 196 . 19 1 1 A 25 25 ASN CB C 25 38.001 37.587 0.414 1
1 202 . 19 1 1 A 26 26 SER CA C 26 60.922 61.641 -0.719 1
1 203 . 19 1 1 A 26 26 SER HA H 26 4.009 3.927 0.082 1
1 204 . 19 1 1 A 26 26 SER CB C 26 61.595 62.535 -0.940 1
1 207 . 19 1 1 A 26 26 SER C C 26 177.198 176.712 0.486 1
1 208 . 19 1 1 A 27 27 HIS N N 27 121.685 121.150 0.535 1
1 209 . 19 1 1 A 27 27 HIS H H 27 6.680 7.828 -1.148 1
1 210 . 19 1 1 A 27 27 HIS CA C 27 56.723 60.201 -3.478 1
1 211 . 19 1 1 A 27 27 HIS HA H 27 4.500 4.187 0.313 1
1 212 . 19 1 1 A 27 27 HIS CB C 27 31.798 29.893 1.905 1
1 219 . 19 1 1 A 27 27 HIS C C 27 178.161 176.333 1.828 1
1 220 . 19 1 1 A 28 28 LEU N N 28 121.741 119.763 1.978 1
1 221 . 19 1 1 A 28 28 LEU H H 28 6.910 7.798 -0.888 1
1 222 . 19 1 1 A 28 28 LEU CA C 28 57.762 57.974 -0.212 1
1 223 . 19 1 1 A 28 28 LEU HA H 28 3.087 3.356 -0.269 1
1 224 . 19 1 1 A 28 28 LEU CB C 28 40.341 41.654 -1.313 1
1 237 . 19 1 1 A 28 28 LEU C C 28 177.649 178.673 -1.024 1
1 238 . 19 1 1 A 29 29 HIS N N 29 118.276 118.514 -0.238 1
1 239 . 19 1 1 A 29 29 HIS H H 29 8.195 8.105 0.090 1
1 240 . 19 1 1 A 29 29 HIS CA C 29 59.210 59.372 -0.162 1
1 241 . 19 1 1 A 29 29 HIS HA H 29 4.387 4.169 0.218 1
1 242 . 19 1 1 A 29 29 HIS CB C 29 29.860 29.936 -0.076 1
1 249 . 19 1 1 A 29 29 HIS C C 29 178.599 177.682 0.917 1
1 250 . 19 1 1 A 30 30 SER N N 30 113.782 114.152 -0.370 1
1 251 . 19 1 1 A 30 30 SER H H 30 7.957 7.851 0.106 1
1 252 . 19 1 1 A 30 30 SER CA C 30 61.487 61.367 0.120 1
1 253 . 19 1 1 A 30 30 SER HA H 30 4.135 4.108 0.027 1
1 254 . 19 1 1 A 30 30 SER CB C 30 62.677 62.679 -0.002 1
1 257 . 19 1 1 A 30 30 SER C C 30 176.976 176.923 0.053 1
1 258 . 19 1 1 A 31 31 HIS N N 31 121.068 121.640 -0.572 1
1 259 . 19 1 1 A 31 31 HIS H H 31 7.669 8.596 -0.927 1
1 260 . 19 1 1 A 31 31 HIS CA C 31 58.850 60.236 -1.386 1
1 261 . 19 1 1 A 31 31 HIS HA H 31 4.253 4.153 0.100 1
1 262 . 19 1 1 A 31 31 HIS CB C 31 28.477 29.978 -1.501 1
1 269 . 19 1 1 A 31 31 HIS C C 31 175.956 177.163 -1.207 1
1 270 . 19 1 1 A 32 32 GLN N N 32 115.453 118.089 -2.636 1
1 271 . 19 1 1 A 32 32 GLN H H 32 8.123 8.421 -0.298 1
1 272 . 19 1 1 A 32 32 GLN CA C 32 59.264 59.172 0.092 1
1 273 . 19 1 1 A 32 32 GLN HA H 32 3.659 3.703 -0.044 1
1 274 . 19 1 1 A 32 32 GLN CB C 32 28.152 28.143 0.009 1
1 283 . 19 1 1 A 32 32 GLN C C 32 177.332 178.985 -1.653 1
1 284 . 19 1 1 A 33 33 ARG N N 33 117.364 119.687 -2.323 1
1 285 . 19 1 1 A 33 33 ARG H H 33 7.077 7.759 -0.682 1
1 286 . 19 1 1 A 33 33 ARG CA C 33 58.389 58.691 -0.302 1
1 287 . 19 1 1 A 33 33 ARG HA H 33 4.131 4.019 0.112 1
1 288 . 19 1 1 A 33 33 ARG CB C 33 29.966 29.785 0.181 1
1 297 . 19 1 1 A 33 33 ARG C C 33 178.497 178.881 -0.384 1
1 298 . 19 1 1 A 34 34 VAL N N 34 116.278 119.302 -3.024 1
1 299 . 19 1 1 A 34 34 VAL H H 34 7.886 7.763 0.123 1
1 300 . 19 1 1 A 34 34 VAL CA C 34 64.069 65.279 -1.210 1
1 301 . 19 1 1 A 34 34 VAL HA H 34 3.900 3.655 0.245 1
1 302 . 19 1 1 A 34 34 VAL CB C 34 31.122 31.387 -0.265 1
1 312 . 19 1 1 A 34 34 VAL C C 34 177.295 177.090 0.205 1
1 313 . 19 1 1 A 35 35 HIS N N 35 117.224 117.087 0.137 1
1 314 . 19 1 1 A 35 35 HIS H H 35 7.217 7.702 -0.485 1
1 315 . 19 1 1 A 35 35 HIS CA C 35 55.233 56.757 -1.524 1
1 316 . 19 1 1 A 35 35 HIS HA H 35 4.864 4.550 0.314 1
1 317 . 19 1 1 A 35 35 HIS CB C 35 28.692 30.670 -1.978 1
1 324 . 19 1 1 A 35 35 HIS C C 35 175.824 174.783 1.041 1
1 325 . 19 1 1 A 36 36 THR N N 36 111.706 112.345 -0.639 1
1 326 . 19 1 1 A 36 36 THR H H 36 7.770 8.029 -0.259 1
1 327 . 19 1 1 A 36 36 THR CA C 36 62.523 62.946 -0.423 1
1 328 . 19 1 1 A 36 36 THR HA H 36 4.347 3.979 0.368 1
1 329 . 19 1 1 A 36 36 THR CB C 36 69.863 66.679 3.184 1
1 335 . 19 1 1 A 36 36 THR C C 36 175.637 175.088 0.549 1
1 336 . 19 1 1 A 37 37 GLY N N 37 110.627 111.548 -0.921 1
1 337 . 19 1 1 A 37 37 GLY H H 37 8.221 8.045 0.176 1
1 338 . 19 1 1 A 37 37 GLY CA C 37 45.344 47.360 -2.016 1
1 339 . 19 1 1 A 37 37 GLY HA2 H 37 4.018 3.795 0.223 1
1 340 . 19 1 1 A 37 37 GLY HA3 H 37 3.943 3.803 0.140 1
1 341 . 19 1 1 A 37 37 GLY C C 37 174.070 174.851 -0.781 1
1 342 . 19 1 1 A 38 38 GLU N N 38 120.538 116.948 3.590 1
1 343 . 19 1 1 A 38 38 GLU H H 38 8.081 8.261 -0.180 1
1 344 . 19 1 1 A 38 38 GLU CA C 38 56.425 56.231 0.194 1
1 345 . 19 1 1 A 38 38 GLU HA H 38 4.240 4.240 0.000 1
1 346 . 19 1 1 A 38 38 GLU CB C 38 30.510 29.133 1.377 1
1 352 . 19 1 1 A 38 38 GLU C C 38 176.244 175.445 0.799 1
1 353 . 19 1 1 A 39 39 LYS N N 39 123.780 121.688 2.092 1
1 354 . 19 1 1 A 39 39 LYS H H 39 8.381 7.553 0.828 1
1 355 . 19 1 1 A 39 39 LYS CA C 39 54.135 52.514 1.621 1
1 356 . 19 1 1 A 39 39 LYS HA H 39 4.593 4.793 -0.200 1
1 357 . 19 1 1 A 39 39 LYS CB C 39 32.496 35.165 -2.669 1
1 369 . 19 1 1 A 39 39 LYS C C 39 174.521 175.758 -1.237 1
1 370 . 19 1 1 A 40 40 PRO CA C 40 63.225 64.802 -1.577 1
1 371 . 19 1 1 A 40 40 PRO HA H 40 4.452 4.485 -0.033 1
1 372 . 19 1 1 A 40 40 PRO CB C 40 32.181 32.116 0.065 1
1 381 . 19 1 1 A 40 40 PRO C C 40 176.999 175.873 1.126 1
1 382 . 19 1 1 A 41 41 SER N N 41 116.501 108.000 8.501 1
1 383 . 19 1 1 A 41 41 SER H H 41 8.466 7.636 0.830 1
1 384 . 19 1 1 A 41 41 SER CA C 41 58.367 57.227 1.140 1
1 385 . 19 1 1 A 41 41 SER HA H 41 4.512 4.847 -0.335 1
1 386 . 19 1 1 A 41 41 SER CB C 41 63.986 65.555 -1.569 1
1 388 . 19 1 1 A 41 41 SER C C 41 174.682 173.012 1.670 1
1 389 . 19 1 1 A 42 42 GLY CA C 42 44.661 43.874 0.787 1
1 390 . 19 1 1 A 42 42 GLY HA2 H 42 4.099 4.214 -0.115 1
1 391 . 19 1 1 A 42 42 GLY HA3 H 42 4.147 4.215 -0.068 1
1 392 . 19 1 1 A 43 43 PRO CA C 43 63.240 64.950 -1.710 1
1 393 . 19 1 1 A 43 43 PRO HA H 43 4.463 4.353 0.110 1
1 394 . 19 1 1 A 43 43 PRO CB C 43 32.179 31.762 0.417 1
1 403 . 19 1 1 A 45 45 SER CA C 45 58.420 59.433 -1.013 1
1 404 . 19 1 1 A 45 45 SER HA H 45 4.496 4.465 0.031 1
1 405 . 19 1 1 A 45 45 SER CB C 45 63.789 65.044 -1.255 1
1 407 . 19 1 1 A 45 45 SER C C 45 173.912 174.564 -0.652 1
1 1 . 20 1 1 A 9 9 GLY CA C 9 45.161 47.491 -2.330 1
1 2 . 20 1 1 A 9 9 GLY HA2 H 9 3.930 3.803 0.127 1
1 3 . 20 1 1 A 9 9 GLY C C 9 174.105 173.340 0.765 1
1 4 . 20 1 1 A 10 10 GLU N N 10 120.165 122.351 -2.186 1
1 5 . 20 1 1 A 10 10 GLU H H 10 8.176 8.439 -0.263 1
1 6 . 20 1 1 A 10 10 GLU CA C 10 56.826 54.239 2.587 1
1 7 . 20 1 1 A 10 10 GLU HA H 10 4.181 5.021 -0.840 1
1 8 . 20 1 1 A 10 10 GLU CB C 10 30.258 33.664 -3.406 1
1 14 . 20 1 1 A 10 10 GLU C C 10 176.388 175.948 0.440 1
1 15 . 20 1 1 A 11 11 LYS N N 11 121.439 121.017 0.422 1
1 16 . 20 1 1 A 11 11 LYS H H 11 8.315 8.503 -0.188 1
1 17 . 20 1 1 A 11 11 LYS CA C 11 53.977 55.352 -1.375 1
1 18 . 20 1 1 A 11 11 LYS HA H 11 4.539 4.275 0.264 1
1 19 . 20 1 1 A 11 11 LYS CB C 11 33.584 31.883 1.701 1
1 31 . 20 1 1 A 11 11 LYS C C 11 174.251 177.031 -2.780 1
1 32 . 20 1 1 A 12 12 PRO CA C 12 63.666 64.904 -1.238 1
1 33 . 20 1 1 A 12 12 PRO HA H 12 4.244 4.247 -0.003 1
1 34 . 20 1 1 A 12 12 PRO CB C 12 32.293 31.576 0.717 1
1 43 . 20 1 1 A 12 12 PRO C C 12 176.348 176.267 0.081 1
1 44 . 20 1 1 A 13 13 PHE N N 13 117.694 117.530 0.164 1
1 45 . 20 1 1 A 13 13 PHE H H 13 7.752 7.643 0.109 1
1 46 . 20 1 1 A 13 13 PHE CA C 13 57.418 57.579 -0.161 1
1 47 . 20 1 1 A 13 13 PHE HA H 13 4.709 4.657 0.052 1
1 48 . 20 1 1 A 13 13 PHE CB C 13 39.785 38.359 1.426 1
1 61 . 20 1 1 A 13 13 PHE C C 13 174.405 175.671 -1.266 1
1 62 . 20 1 1 A 14 14 GLN N N 14 124.070 123.047 1.023 1
1 63 . 20 1 1 A 14 14 GLN H H 14 8.923 8.987 -0.064 1
1 64 . 20 1 1 A 14 14 GLN CA C 14 54.279 53.900 0.379 1
1 65 . 20 1 1 A 14 14 GLN HA H 14 5.160 5.357 -0.197 1
1 66 . 20 1 1 A 14 14 GLN CB C 14 32.341 31.762 0.579 1
1 75 . 20 1 1 A 14 14 GLN C C 14 173.888 175.118 -1.230 1
1 76 . 20 1 1 A 15 15 CYS N N 15 117.013 123.413 -6.400 1
1 77 . 20 1 1 A 15 15 CYS H H 15 9.281 9.032 0.249 1
1 78 . 20 1 1 A 15 15 CYS CA C 15 59.545 59.421 0.124 1
1 79 . 20 1 1 A 15 15 CYS HA H 15 4.571 4.587 -0.016 1
1 80 . 20 1 1 A 15 15 CYS CB C 15 29.720 28.925 0.795 1
1 83 . 20 1 1 A 15 15 CYS C C 15 177.248 174.859 2.389 1
1 84 . 20 1 1 A 16 16 GLU N N 16 121.917 123.889 -1.972 1
1 85 . 20 1 1 A 16 16 GLU H H 16 9.724 9.105 0.619 1
1 86 . 20 1 1 A 16 16 GLU CA C 16 58.765 56.474 2.291 1
1 87 . 20 1 1 A 16 16 GLU HA H 16 4.143 4.650 -0.507 1
1 88 . 20 1 1 A 16 16 GLU CB C 16 29.678 31.122 -1.444 1
1 94 . 20 1 1 A 16 16 GLU C C 16 177.332 177.108 0.224 1
1 95 . 20 1 1 A 17 17 GLU N N 17 125.342 116.632 8.710 1
1 96 . 20 1 1 A 17 17 GLU H H 17 7.948 8.084 -0.136 1
1 97 . 20 1 1 A 17 17 GLU CA C 17 58.478 57.424 1.054 1
1 98 . 20 1 1 A 17 17 GLU HA H 17 4.195 4.258 -0.063 1
1 99 . 20 1 1 A 17 17 GLU CB C 17 29.553 30.321 -0.768 1
1 105 . 20 1 1 A 17 17 GLU C C 17 176.702 177.767 -1.065 1
1 106 . 20 1 1 A 18 18 CYS N N 18 120.318 114.965 5.353 1
1 107 . 20 1 1 A 18 18 CYS H H 18 8.582 7.719 0.863 1
1 108 . 20 1 1 A 18 18 CYS CA C 18 58.297 58.548 -0.251 1
1 109 . 20 1 1 A 18 18 CYS HA H 18 5.188 4.624 0.564 1
1 110 . 20 1 1 A 18 18 CYS CB C 18 32.633 29.415 3.218 1
1 113 . 20 1 1 A 18 18 CYS C C 18 176.394 175.694 0.700 1
1 114 . 20 1 1 A 19 19 GLY N N 19 113.672 110.819 2.853 1
1 115 . 20 1 1 A 19 19 GLY H H 19 8.197 8.096 0.101 1
1 116 . 20 1 1 A 19 19 GLY CA C 19 46.144 47.088 -0.944 1
1 117 . 20 1 1 A 19 19 GLY HA2 H 19 4.273 3.909 0.364 1
1 118 . 20 1 1 A 19 19 GLY HA3 H 19 3.815 3.931 -0.116 1
1 119 . 20 1 1 A 19 19 GLY C C 19 174.170 174.552 -0.382 1
1 120 . 20 1 1 A 20 20 LYS N N 20 123.697 119.093 4.604 1
1 121 . 20 1 1 A 20 20 LYS H H 20 8.041 8.175 -0.134 1
1 122 . 20 1 1 A 20 20 LYS CA C 20 58.531 55.217 3.314 1
1 123 . 20 1 1 A 20 20 LYS HA H 20 3.945 4.505 -0.560 1
1 124 . 20 1 1 A 20 20 LYS CB C 20 33.689 34.069 -0.380 1
1 136 . 20 1 1 A 20 20 LYS C C 20 174.434 175.322 -0.888 1
1 137 . 20 1 1 A 21 21 ARG N N 21 119.834 118.555 1.279 1
1 138 . 20 1 1 A 21 21 ARG H H 21 7.850 7.663 0.187 1
1 139 . 20 1 1 A 21 21 ARG CA C 21 54.746 53.960 0.786 1
1 140 . 20 1 1 A 21 21 ARG HA H 21 5.181 5.075 0.106 1
1 141 . 20 1 1 A 21 21 ARG CB C 21 33.630 33.851 -0.221 1
1 150 . 20 1 1 A 21 21 ARG C C 21 175.430 174.129 1.301 1
1 151 . 20 1 1 A 22 22 PHE N N 22 116.396 121.065 -4.669 1
1 152 . 20 1 1 A 22 22 PHE H H 22 8.788 8.364 0.424 1
1 153 . 20 1 1 A 22 22 PHE CA C 22 57.095 56.924 0.171 1
1 154 . 20 1 1 A 22 22 PHE HA H 22 4.895 4.852 0.043 1
1 155 . 20 1 1 A 22 22 PHE CB C 22 44.347 42.833 1.514 1
1 168 . 20 1 1 A 22 22 PHE C C 22 175.617 175.770 -0.153 1
1 169 . 20 1 1 A 23 23 THR N N 23 112.933 117.018 -4.085 1
1 170 . 20 1 1 A 23 23 THR H H 23 9.631 8.917 0.714 1
1 171 . 20 1 1 A 23 23 THR CA C 23 64.070 66.298 -2.228 1
1 172 . 20 1 1 A 23 23 THR HA H 23 4.522 4.213 0.309 1
1 173 . 20 1 1 A 23 23 THR CB C 23 69.777 68.789 0.988 1
1 179 . 20 1 1 A 23 23 THR C C 23 174.715 175.323 -0.608 1
1 180 . 20 1 1 A 24 24 GLN N N 24 115.100 119.108 -4.008 1
1 181 . 20 1 1 A 24 24 GLN H H 24 7.065 8.044 -0.979 1
1 182 . 20 1 1 A 24 24 GLN CA C 24 53.879 54.102 -0.223 1
1 183 . 20 1 1 A 24 24 GLN HA H 24 4.636 4.594 0.042 1
1 184 . 20 1 1 A 24 24 GLN CB C 24 31.873 31.332 0.541 1
1 193 . 20 1 1 A 24 24 GLN C C 24 175.862 175.964 -0.102 1
1 194 . 20 1 1 A 25 25 ASN CA C 25 55.617 55.515 0.102 1
1 195 . 20 1 1 A 25 25 ASN HA H 25 3.376 4.020 -0.644 1
1 196 . 20 1 1 A 25 25 ASN CB C 25 38.001 36.920 1.081 1
1 202 . 20 1 1 A 26 26 SER CA C 26 60.922 61.608 -0.686 1
1 203 . 20 1 1 A 26 26 SER HA H 26 4.009 3.715 0.294 1
1 204 . 20 1 1 A 26 26 SER CB C 26 61.595 62.827 -1.232 1
1 207 . 20 1 1 A 26 26 SER C C 26 177.198 176.852 0.346 1
1 208 . 20 1 1 A 27 27 HIS N N 27 121.685 120.876 0.809 1
1 209 . 20 1 1 A 27 27 HIS H H 27 6.680 7.554 -0.874 1
1 210 . 20 1 1 A 27 27 HIS CA C 27 56.723 59.712 -2.989 1
1 211 . 20 1 1 A 27 27 HIS HA H 27 4.500 4.187 0.313 1
1 212 . 20 1 1 A 27 27 HIS CB C 27 31.798 29.324 2.474 1
1 219 . 20 1 1 A 27 27 HIS C C 27 178.161 176.304 1.857 1
1 220 . 20 1 1 A 28 28 LEU N N 28 121.741 119.927 1.814 1
1 221 . 20 1 1 A 28 28 LEU H H 28 6.910 8.075 -1.165 1
1 222 . 20 1 1 A 28 28 LEU CA C 28 57.762 57.911 -0.149 1
1 223 . 20 1 1 A 28 28 LEU HA H 28 3.087 3.435 -0.348 1
1 224 . 20 1 1 A 28 28 LEU CB C 28 40.341 41.734 -1.393 1
1 237 . 20 1 1 A 28 28 LEU C C 28 177.649 178.652 -1.003 1
1 238 . 20 1 1 A 29 29 HIS N N 29 118.276 118.578 -0.302 1
1 239 . 20 1 1 A 29 29 HIS H H 29 8.195 8.707 -0.512 1
1 240 . 20 1 1 A 29 29 HIS CA C 29 59.210 59.396 -0.186 1
1 241 . 20 1 1 A 29 29 HIS HA H 29 4.387 4.179 0.208 1
1 242 . 20 1 1 A 29 29 HIS CB C 29 29.860 30.070 -0.210 1
1 249 . 20 1 1 A 29 29 HIS C C 29 178.599 177.767 0.832 1
1 250 . 20 1 1 A 30 30 SER N N 30 113.782 114.123 -0.341 1
1 251 . 20 1 1 A 30 30 SER H H 30 7.957 7.769 0.188 1
1 252 . 20 1 1 A 30 30 SER CA C 30 61.487 61.213 0.274 1
1 253 . 20 1 1 A 30 30 SER HA H 30 4.135 4.125 0.010 1
1 254 . 20 1 1 A 30 30 SER CB C 30 62.677 62.890 -0.213 1
1 257 . 20 1 1 A 30 30 SER C C 30 176.976 176.128 0.848 1
1 258 . 20 1 1 A 31 31 HIS N N 31 121.068 120.991 0.077 1
1 259 . 20 1 1 A 31 31 HIS H H 31 7.669 8.212 -0.543 1
1 260 . 20 1 1 A 31 31 HIS CA C 31 58.850 60.048 -1.198 1
1 261 . 20 1 1 A 31 31 HIS HA H 31 4.253 4.065 0.188 1
1 262 . 20 1 1 A 31 31 HIS CB C 31 28.477 30.159 -1.682 1
1 269 . 20 1 1 A 31 31 HIS C C 31 175.956 177.217 -1.261 1
1 270 . 20 1 1 A 32 32 GLN N N 32 115.453 118.387 -2.934 1
1 271 . 20 1 1 A 32 32 GLN H H 32 8.123 8.403 -0.280 1
1 272 . 20 1 1 A 32 32 GLN CA C 32 59.264 59.425 -0.161 1
1 273 . 20 1 1 A 32 32 GLN HA H 32 3.659 3.824 -0.165 1
1 274 . 20 1 1 A 32 32 GLN CB C 32 28.152 28.372 -0.220 1
1 283 . 20 1 1 A 32 32 GLN C C 32 177.332 178.977 -1.645 1
1 284 . 20 1 1 A 33 33 ARG N N 33 117.364 118.305 -0.941 1
1 285 . 20 1 1 A 33 33 ARG H H 33 7.077 8.619 -1.542 1
1 286 . 20 1 1 A 33 33 ARG CA C 33 58.389 58.423 -0.034 1
1 287 . 20 1 1 A 33 33 ARG HA H 33 4.131 4.093 0.038 1
1 288 . 20 1 1 A 33 33 ARG CB C 33 29.966 29.200 0.766 1
1 297 . 20 1 1 A 33 33 ARG C C 33 178.497 178.013 0.484 1
1 298 . 20 1 1 A 34 34 VAL N N 34 116.278 119.993 -3.715 1
1 299 . 20 1 1 A 34 34 VAL H H 34 7.886 7.413 0.473 1
1 300 . 20 1 1 A 34 34 VAL CA C 34 64.069 65.506 -1.437 1
1 301 . 20 1 1 A 34 34 VAL HA H 34 3.900 3.511 0.389 1
1 302 . 20 1 1 A 34 34 VAL CB C 34 31.122 31.247 -0.125 1
1 312 . 20 1 1 A 34 34 VAL C C 34 177.295 176.839 0.456 1
1 313 . 20 1 1 A 35 35 HIS N N 35 117.224 116.315 0.909 1
1 314 . 20 1 1 A 35 35 HIS H H 35 7.217 7.937 -0.720 1
1 315 . 20 1 1 A 35 35 HIS CA C 35 55.233 55.182 0.051 1
1 316 . 20 1 1 A 35 35 HIS HA H 35 4.864 5.119 -0.255 1
1 317 . 20 1 1 A 35 35 HIS CB C 35 28.692 29.514 -0.822 1
1 324 . 20 1 1 A 35 35 HIS C C 35 175.824 174.927 0.897 1
1 325 . 20 1 1 A 36 36 THR N N 36 111.706 116.079 -4.373 1
1 326 . 20 1 1 A 36 36 THR H H 36 7.770 7.566 0.204 1
1 327 . 20 1 1 A 36 36 THR CA C 36 62.523 63.673 -1.150 1
1 328 . 20 1 1 A 36 36 THR HA H 36 4.347 3.917 0.430 1
1 329 . 20 1 1 A 36 36 THR CB C 36 69.863 68.856 1.007 1
1 335 . 20 1 1 A 36 36 THR C C 36 175.637 175.783 -0.146 1
1 336 . 20 1 1 A 37 37 GLY N N 37 110.627 115.692 -5.065 1
1 337 . 20 1 1 A 37 37 GLY H H 37 8.221 8.973 -0.752 1
1 338 . 20 1 1 A 37 37 GLY CA C 37 45.344 46.505 -1.161 1
1 339 . 20 1 1 A 37 37 GLY HA2 H 37 4.018 3.866 0.152 1
1 340 . 20 1 1 A 37 37 GLY HA3 H 37 3.943 3.868 0.075 1
1 341 . 20 1 1 A 37 37 GLY C C 37 174.070 173.983 0.087 1
1 342 . 20 1 1 A 38 38 GLU N N 38 120.538 119.390 1.148 1
1 343 . 20 1 1 A 38 38 GLU H H 38 8.081 7.912 0.169 1
1 344 . 20 1 1 A 38 38 GLU CA C 38 56.425 54.954 1.471 1
1 345 . 20 1 1 A 38 38 GLU HA H 38 4.240 4.786 -0.546 1
1 346 . 20 1 1 A 38 38 GLU CB C 38 30.510 32.313 -1.803 1
1 352 . 20 1 1 A 38 38 GLU C C 38 176.244 175.530 0.714 1
1 353 . 20 1 1 A 39 39 LYS N N 39 123.780 124.867 -1.087 1
1 354 . 20 1 1 A 39 39 LYS H H 39 8.381 8.479 -0.098 1
1 355 . 20 1 1 A 39 39 LYS CA C 39 54.135 53.049 1.086 1
1 356 . 20 1 1 A 39 39 LYS HA H 39 4.593 4.805 -0.212 1
1 357 . 20 1 1 A 39 39 LYS CB C 39 32.496 35.730 -3.234 1
1 369 . 20 1 1 A 39 39 LYS C C 39 174.521 176.234 -1.713 1
1 370 . 20 1 1 A 40 40 PRO CA C 40 63.225 63.831 -0.606 1
1 371 . 20 1 1 A 40 40 PRO HA H 40 4.452 4.506 -0.054 1
1 372 . 20 1 1 A 40 40 PRO CB C 40 32.181 31.591 0.590 1
1 381 . 20 1 1 A 40 40 PRO C C 40 176.999 176.274 0.725 1
1 382 . 20 1 1 A 41 41 SER N N 41 116.501 111.635 4.866 1
1 383 . 20 1 1 A 41 41 SER H H 41 8.466 8.125 0.341 1
1 384 . 20 1 1 A 41 41 SER CA C 41 58.367 56.865 1.502 1
1 385 . 20 1 1 A 41 41 SER HA H 41 4.512 4.706 -0.194 1
1 386 . 20 1 1 A 41 41 SER CB C 41 63.986 63.526 0.460 1
1 388 . 20 1 1 A 41 41 SER C C 41 174.682 173.728 0.954 1
1 389 . 20 1 1 A 42 42 GLY CA C 42 44.661 45.747 -1.086 1
1 390 . 20 1 1 A 42 42 GLY HA2 H 42 4.099 4.001 0.098 1
1 391 . 20 1 1 A 42 42 GLY HA3 H 42 4.147 4.001 0.146 1
1 392 . 20 1 1 A 43 43 PRO CA C 43 63.240 65.106 -1.866 1
1 393 . 20 1 1 A 43 43 PRO HA H 43 4.463 4.354 0.109 1
1 394 . 20 1 1 A 43 43 PRO CB C 43 32.179 32.069 0.110 1
1 403 . 20 1 1 A 45 45 SER CA C 45 58.420 62.496 -4.076 1
1 404 . 20 1 1 A 45 45 SER HA H 45 4.496 4.114 0.382 1
1 405 . 20 1 1 A 45 45 SER CB C 45 63.789 62.746 1.043 1
1 407 . 20 1 1 A 45 45 SER C C 45 173.912 176.933 -3.021 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 33 0.948 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.104 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.140 1
4 1 1 1 "RMS(OBS, PRED)" H 28 0.607 1
5 1 1 1 "RMS(OBS, PRED)" HA 39 0.270 1
6 1 1 1 "RMS(OBS, PRED)" N 28 3.061 1
7 1 2 1 "RMS(OBS, PRED)" C 33 1.022 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.140 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.387 1
10 1 2 1 "RMS(OBS, PRED)" H 28 0.578 1
11 1 2 1 "RMS(OBS, PRED)" HA 39 0.243 1
12 1 2 1 "RMS(OBS, PRED)" N 28 3.294 1
13 1 3 1 "RMS(OBS, PRED)" C 33 1.035 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.411 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.119 1
16 1 3 1 "RMS(OBS, PRED)" H 28 0.527 1
17 1 3 1 "RMS(OBS, PRED)" HA 39 0.240 1
18 1 3 1 "RMS(OBS, PRED)" N 28 3.149 1
19 1 4 1 "RMS(OBS, PRED)" C 33 0.982 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.129 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.406 1
22 1 4 1 "RMS(OBS, PRED)" H 28 0.594 1
23 1 4 1 "RMS(OBS, PRED)" HA 39 0.280 1
24 1 4 1 "RMS(OBS, PRED)" N 28 3.199 1
25 1 5 1 "RMS(OBS, PRED)" C 33 1.051 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.123 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.127 1
28 1 5 1 "RMS(OBS, PRED)" H 28 0.484 1
29 1 5 1 "RMS(OBS, PRED)" HA 39 0.255 1
30 1 5 1 "RMS(OBS, PRED)" N 28 3.701 1
31 1 6 1 "RMS(OBS, PRED)" C 33 1.009 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.253 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.240 1
34 1 6 1 "RMS(OBS, PRED)" H 28 0.500 1
35 1 6 1 "RMS(OBS, PRED)" HA 39 0.280 1
36 1 6 1 "RMS(OBS, PRED)" N 28 3.552 1
37 1 7 1 "RMS(OBS, PRED)" C 33 0.991 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.247 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.172 1
40 1 7 1 "RMS(OBS, PRED)" H 28 0.544 1
41 1 7 1 "RMS(OBS, PRED)" HA 39 0.279 1
42 1 7 1 "RMS(OBS, PRED)" N 28 3.262 1
43 1 8 1 "RMS(OBS, PRED)" C 33 0.925 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.263 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.361 1
46 1 8 1 "RMS(OBS, PRED)" H 28 0.569 1
47 1 8 1 "RMS(OBS, PRED)" HA 39 0.254 1
48 1 8 1 "RMS(OBS, PRED)" N 28 3.511 1
49 1 9 1 "RMS(OBS, PRED)" C 33 1.231 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.149 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.337 1
52 1 9 1 "RMS(OBS, PRED)" H 28 0.620 1
53 1 9 1 "RMS(OBS, PRED)" HA 39 0.266 1
54 1 9 1 "RMS(OBS, PRED)" N 28 3.245 1
55 1 10 1 "RMS(OBS, PRED)" C 33 1.086 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.093 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.186 1
58 1 10 1 "RMS(OBS, PRED)" H 28 0.543 1
59 1 10 1 "RMS(OBS, PRED)" HA 39 0.276 1
60 1 10 1 "RMS(OBS, PRED)" N 28 3.303 1
61 1 11 1 "RMS(OBS, PRED)" C 33 0.973 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.070 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.291 1
64 1 11 1 "RMS(OBS, PRED)" H 28 0.619 1
65 1 11 1 "RMS(OBS, PRED)" HA 39 0.273 1
66 1 11 1 "RMS(OBS, PRED)" N 28 3.007 1
67 1 12 1 "RMS(OBS, PRED)" C 33 1.090 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.179 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.225 1
70 1 12 1 "RMS(OBS, PRED)" H 28 0.532 1
71 1 12 1 "RMS(OBS, PRED)" HA 39 0.232 1
72 1 12 1 "RMS(OBS, PRED)" N 28 3.511 1
73 1 13 1 "RMS(OBS, PRED)" C 33 0.918 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.159 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.306 1
76 1 13 1 "RMS(OBS, PRED)" H 28 0.534 1
77 1 13 1 "RMS(OBS, PRED)" HA 39 0.259 1
78 1 13 1 "RMS(OBS, PRED)" N 28 3.348 1
79 1 14 1 "RMS(OBS, PRED)" C 33 1.080 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.065 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.189 1
82 1 14 1 "RMS(OBS, PRED)" H 28 0.543 1
83 1 14 1 "RMS(OBS, PRED)" HA 39 0.219 1
84 1 14 1 "RMS(OBS, PRED)" N 28 3.338 1
85 1 15 1 "RMS(OBS, PRED)" C 33 1.110 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.255 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.270 1
88 1 15 1 "RMS(OBS, PRED)" H 28 0.549 1
89 1 15 1 "RMS(OBS, PRED)" HA 39 0.245 1
90 1 15 1 "RMS(OBS, PRED)" N 28 2.977 1
91 1 16 1 "RMS(OBS, PRED)" C 33 1.093 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.098 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.396 1
94 1 16 1 "RMS(OBS, PRED)" H 28 0.572 1
95 1 16 1 "RMS(OBS, PRED)" HA 39 0.296 1
96 1 16 1 "RMS(OBS, PRED)" N 28 3.540 1
97 1 17 1 "RMS(OBS, PRED)" C 33 1.025 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 0.818 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.236 1
100 1 17 1 "RMS(OBS, PRED)" H 28 0.555 1
101 1 17 1 "RMS(OBS, PRED)" HA 39 0.260 1
102 1 17 1 "RMS(OBS, PRED)" N 28 3.058 1
103 1 18 1 "RMS(OBS, PRED)" C 33 0.921 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.147 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.165 1
106 1 18 1 "RMS(OBS, PRED)" H 28 0.536 1
107 1 18 1 "RMS(OBS, PRED)" HA 39 0.266 1
108 1 18 1 "RMS(OBS, PRED)" N 28 3.200 1
109 1 19 1 "RMS(OBS, PRED)" C 33 1.044 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.318 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.446 1
112 1 19 1 "RMS(OBS, PRED)" H 28 0.585 1
113 1 19 1 "RMS(OBS, PRED)" HA 39 0.256 1
114 1 19 1 "RMS(OBS, PRED)" N 28 3.538 1
115 1 20 1 "RMS(OBS, PRED)" C 33 1.220 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.537 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.461 1
118 1 20 1 "RMS(OBS, PRED)" H 28 0.600 1
119 1 20 1 "RMS(OBS, PRED)" HA 39 0.316 1
120 1 20 1 "RMS(OBS, PRED)" N 28 3.549 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 9 9 GLY CA C 9 45.161 45.580 -0.419 2
1 2 . 1 1 A 9 9 GLY HA2 H 9 3.930 4.050 -0.120 2
1 3 . 1 1 A 9 9 GLY C C 9 174.105 173.934 0.171 2
1 4 . 1 1 A 10 10 GLU N N 10 120.165 121.182 -1.017 2
1 5 . 1 1 A 10 10 GLU H H 10 8.176 8.525 -0.349 2
1 6 . 1 1 A 10 10 GLU CA C 10 56.826 56.499 0.327 2
1 7 . 1 1 A 10 10 GLU HA H 10 4.181 4.493 -0.312 2
1 8 . 1 1 A 10 10 GLU CB C 10 30.258 30.970 -0.712 2
1 14 . 1 1 A 10 10 GLU C C 10 176.388 175.727 0.661 2
1 15 . 1 1 A 11 11 LYS N N 11 121.439 121.535 -0.096 2
1 16 . 1 1 A 11 11 LYS H H 11 8.315 8.155 0.160 2
1 17 . 1 1 A 11 11 LYS CA C 11 53.977 53.671 0.306 2
1 18 . 1 1 A 11 11 LYS HA H 11 4.539 4.594 -0.055 2
1 19 . 1 1 A 11 11 LYS CB C 11 33.584 33.325 0.259 2
1 31 . 1 1 A 11 11 LYS C C 11 174.251 176.270 -2.019 2
1 32 . 1 1 A 12 12 PRO CA C 12 63.666 64.778 -1.112 2
1 33 . 1 1 A 12 12 PRO HA H 12 4.244 4.263 -0.019 2
1 34 . 1 1 A 12 12 PRO CB C 12 32.293 31.596 0.697 2
1 43 . 1 1 A 12 12 PRO C C 12 176.348 176.178 0.170 2
1 44 . 1 1 A 13 13 PHE N N 13 117.694 117.688 0.006 2
1 45 . 1 1 A 13 13 PHE H H 13 7.752 7.628 0.124 2
1 46 . 1 1 A 13 13 PHE CA C 13 57.418 57.425 -0.007 2
1 47 . 1 1 A 13 13 PHE HA H 13 4.709 4.755 -0.046 2
1 48 . 1 1 A 13 13 PHE CB C 13 39.785 38.877 0.908 2
1 61 . 1 1 A 13 13 PHE C C 13 174.405 175.657 -1.252 2
1 62 . 1 1 A 14 14 GLN N N 14 124.070 122.293 1.777 2
1 63 . 1 1 A 14 14 GLN H H 14 8.923 8.783 0.140 2
1 64 . 1 1 A 14 14 GLN CA C 14 54.279 54.023 0.256 2
1 65 . 1 1 A 14 14 GLN HA H 14 5.160 5.401 -0.241 2
1 66 . 1 1 A 14 14 GLN CB C 14 32.341 32.247 0.094 2
1 75 . 1 1 A 14 14 GLN C C 14 173.888 174.893 -1.005 2
1 76 . 1 1 A 15 15 CYS N N 15 117.013 123.257 -6.244 2
1 77 . 1 1 A 15 15 CYS H H 15 9.281 9.125 0.156 2
1 78 . 1 1 A 15 15 CYS CA C 15 59.545 59.219 0.326 2
1 79 . 1 1 A 15 15 CYS HA H 15 4.571 4.690 -0.119 2
1 80 . 1 1 A 15 15 CYS CB C 15 29.720 28.963 0.757 2
1 83 . 1 1 A 15 15 CYS C C 15 177.248 174.743 2.505 2
1 84 . 1 1 A 16 16 GLU N N 16 121.917 124.003 -2.086 2
1 85 . 1 1 A 16 16 GLU H H 16 9.724 9.023 0.702 2
1 86 . 1 1 A 16 16 GLU CA C 16 58.765 56.883 1.882 2
1 87 . 1 1 A 16 16 GLU HA H 16 4.143 4.562 -0.419 2
1 88 . 1 1 A 16 16 GLU CB C 16 29.678 31.357 -1.679 2
1 94 . 1 1 A 16 16 GLU C C 16 177.332 177.652 -0.320 2
1 95 . 1 1 A 17 17 GLU N N 17 125.342 118.272 7.070 2
1 96 . 1 1 A 17 17 GLU H H 17 7.948 8.130 -0.182 2
1 97 . 1 1 A 17 17 GLU CA C 17 58.478 57.769 0.709 2
1 98 . 1 1 A 17 17 GLU HA H 17 4.195 4.216 -0.021 2
1 99 . 1 1 A 17 17 GLU CB C 17 29.553 30.174 -0.621 2
1 105 . 1 1 A 17 17 GLU C C 17 176.702 177.572 -0.870 2
1 106 . 1 1 A 18 18 CYS N N 18 120.318 115.239 5.079 2
1 107 . 1 1 A 18 18 CYS H H 18 8.582 7.835 0.747 2
1 108 . 1 1 A 18 18 CYS CA C 18 58.297 58.582 -0.285 2
1 109 . 1 1 A 18 18 CYS HA H 18 5.188 4.653 0.535 2
1 110 . 1 1 A 18 18 CYS CB C 18 32.633 29.821 2.812 2
1 113 . 1 1 A 18 18 CYS C C 18 176.394 175.765 0.629 2
1 114 . 1 1 A 19 19 GLY N N 19 113.672 110.947 2.725 2
1 115 . 1 1 A 19 19 GLY H H 19 8.197 8.144 0.053 2
1 116 . 1 1 A 19 19 GLY CA C 19 46.144 47.049 -0.905 2
1 117 . 1 1 A 19 19 GLY HA2 H 19 4.273 3.937 0.337 2
1 118 . 1 1 A 19 19 GLY HA3 H 19 3.815 3.969 -0.154 2
1 119 . 1 1 A 19 19 GLY C C 19 174.170 174.658 -0.488 2
1 120 . 1 1 A 20 20 LYS N N 20 123.697 119.179 4.518 2
1 121 . 1 1 A 20 20 LYS H H 20 8.041 8.119 -0.078 2
1 122 . 1 1 A 20 20 LYS CA C 20 58.531 55.394 3.137 2
1 123 . 1 1 A 20 20 LYS HA H 20 3.945 4.516 -0.571 2
1 124 . 1 1 A 20 20 LYS CB C 20 33.689 34.141 -0.452 2
1 136 . 1 1 A 20 20 LYS C C 20 174.434 175.432 -0.998 2
1 137 . 1 1 A 21 21 ARG N N 21 119.834 118.911 0.923 2
1 138 . 1 1 A 21 21 ARG H H 21 7.850 7.845 0.005 2
1 139 . 1 1 A 21 21 ARG CA C 21 54.746 54.318 0.428 2
1 140 . 1 1 A 21 21 ARG HA H 21 5.181 5.049 0.132 2
1 141 . 1 1 A 21 21 ARG CB C 21 33.630 33.223 0.407 2
1 150 . 1 1 A 21 21 ARG C C 21 175.430 174.480 0.950 2
1 151 . 1 1 A 22 22 PHE N N 22 116.396 121.524 -5.128 2
1 152 . 1 1 A 22 22 PHE H H 22 8.788 8.582 0.207 2
1 153 . 1 1 A 22 22 PHE CA C 22 57.095 56.862 0.233 2
1 154 . 1 1 A 22 22 PHE HA H 22 4.895 4.863 0.032 2
1 155 . 1 1 A 22 22 PHE CB C 22 44.347 42.877 1.470 2
1 168 . 1 1 A 22 22 PHE C C 22 175.617 175.757 -0.140 2
1 169 . 1 1 A 23 23 THR N N 23 112.933 116.673 -3.740 2
1 170 . 1 1 A 23 23 THR H H 23 9.631 8.735 0.896 2
1 171 . 1 1 A 23 23 THR CA C 23 64.070 64.575 -0.505 2
1 172 . 1 1 A 23 23 THR HA H 23 4.522 4.389 0.133 2
1 173 . 1 1 A 23 23 THR CB C 23 69.777 69.214 0.563 2
1 179 . 1 1 A 23 23 THR C C 23 174.715 174.489 0.226 2
1 180 . 1 1 A 24 24 GLN N N 24 115.100 119.707 -4.607 2
1 181 . 1 1 A 24 24 GLN H H 24 7.065 7.854 -0.789 2
1 182 . 1 1 A 24 24 GLN CA C 24 53.879 54.342 -0.463 2
1 183 . 1 1 A 24 24 GLN HA H 24 4.636 4.478 0.158 2
1 184 . 1 1 A 24 24 GLN CB C 24 31.873 30.900 0.973 2
1 193 . 1 1 A 24 24 GLN C C 24 175.862 175.839 0.023 2
1 194 . 1 1 A 25 25 ASN CA C 25 55.617 55.667 -0.050 2
1 195 . 1 1 A 25 25 ASN HA H 25 3.376 3.682 -0.306 2
1 196 . 1 1 A 25 25 ASN CB C 25 38.001 37.159 0.842 2
1 202 . 1 1 A 26 26 SER CA C 26 60.922 61.708 -0.786 2
1 203 . 1 1 A 26 26 SER HA H 26 4.009 3.938 0.072 2
1 204 . 1 1 A 26 26 SER CB C 26 61.595 62.961 -1.366 2
1 207 . 1 1 A 26 26 SER C C 26 177.198 176.921 0.277 2
1 208 . 1 1 A 27 27 HIS N N 27 121.685 119.883 1.802 2
1 209 . 1 1 A 27 27 HIS H H 27 6.680 7.880 -1.200 2
1 210 . 1 1 A 27 27 HIS CA C 27 56.723 59.093 -2.370 2
1 211 . 1 1 A 27 27 HIS HA H 27 4.500 4.228 0.273 2
1 212 . 1 1 A 27 27 HIS CB C 27 31.798 29.591 2.207 2
1 219 . 1 1 A 27 27 HIS C C 27 178.161 177.078 1.083 2
1 220 . 1 1 A 28 28 LEU N N 28 121.741 120.341 1.400 2
1 221 . 1 1 A 28 28 LEU H H 28 6.910 7.783 -0.873 2
1 222 . 1 1 A 28 28 LEU CA C 28 57.762 57.798 -0.036 2
1 223 . 1 1 A 28 28 LEU HA H 28 3.087 3.236 -0.148 2
1 224 . 1 1 A 28 28 LEU CB C 28 40.341 41.690 -1.349 2
1 237 . 1 1 A 28 28 LEU C C 28 177.649 178.550 -0.901 2
1 238 . 1 1 A 29 29 HIS N N 29 118.276 118.341 -0.065 2
1 239 . 1 1 A 29 29 HIS H H 29 8.195 8.317 -0.122 2
1 240 . 1 1 A 29 29 HIS CA C 29 59.210 59.407 -0.197 2
1 241 . 1 1 A 29 29 HIS HA H 29 4.387 4.243 0.144 2
1 242 . 1 1 A 29 29 HIS CB C 29 29.860 29.858 0.001 2
1 249 . 1 1 A 29 29 HIS C C 29 178.599 177.814 0.785 2
1 250 . 1 1 A 30 30 SER N N 30 113.782 114.858 -1.076 2
1 251 . 1 1 A 30 30 SER H H 30 7.957 8.141 -0.184 2
1 252 . 1 1 A 30 30 SER CA C 30 61.487 61.470 0.017 2
1 253 . 1 1 A 30 30 SER HA H 30 4.135 4.151 -0.015 2
1 254 . 1 1 A 30 30 SER CB C 30 62.677 62.794 -0.117 2
1 257 . 1 1 A 30 30 SER C C 30 176.976 176.561 0.415 2
1 258 . 1 1 A 31 31 HIS N N 31 121.068 121.605 -0.537 2
1 259 . 1 1 A 31 31 HIS H H 31 7.669 8.067 -0.398 2
1 260 . 1 1 A 31 31 HIS CA C 31 58.850 59.815 -0.965 2
1 261 . 1 1 A 31 31 HIS HA H 31 4.253 4.086 0.167 2
1 262 . 1 1 A 31 31 HIS CB C 31 28.477 29.762 -1.285 2
1 269 . 1 1 A 31 31 HIS C C 31 175.956 177.173 -1.217 2
1 270 . 1 1 A 32 32 GLN N N 32 115.453 118.082 -2.629 2
1 271 . 1 1 A 32 32 GLN H H 32 8.123 8.373 -0.250 2
1 272 . 1 1 A 32 32 GLN CA C 32 59.264 59.042 0.222 2
1 273 . 1 1 A 32 32 GLN HA H 32 3.659 3.908 -0.249 2
1 274 . 1 1 A 32 32 GLN CB C 32 28.152 28.340 -0.188 2
1 283 . 1 1 A 32 32 GLN C C 32 177.332 178.608 -1.276 2
1 284 . 1 1 A 33 33 ARG N N 33 117.364 119.438 -2.074 2
1 285 . 1 1 A 33 33 ARG H H 33 7.077 8.050 -0.974 2
1 286 . 1 1 A 33 33 ARG CA C 33 58.389 58.711 -0.322 2
1 287 . 1 1 A 33 33 ARG HA H 33 4.131 4.053 0.078 2
1 288 . 1 1 A 33 33 ARG CB C 33 29.966 29.860 0.105 2
1 297 . 1 1 A 33 33 ARG C C 33 178.497 178.672 -0.175 2
1 298 . 1 1 A 34 34 VAL N N 34 116.278 117.836 -1.558 2
1 299 . 1 1 A 34 34 VAL H H 34 7.886 7.681 0.205 2
1 300 . 1 1 A 34 34 VAL CA C 34 64.069 64.824 -0.755 2
1 301 . 1 1 A 34 34 VAL HA H 34 3.900 3.695 0.205 2
1 302 . 1 1 A 34 34 VAL CB C 34 31.122 31.088 0.034 2
1 312 . 1 1 A 34 34 VAL C C 34 177.295 176.713 0.582 2
1 313 . 1 1 A 35 35 HIS N N 35 117.224 118.480 -1.256 2
1 314 . 1 1 A 35 35 HIS H H 35 7.217 7.649 -0.432 2
1 315 . 1 1 A 35 35 HIS CA C 35 55.233 55.812 -0.579 2
1 316 . 1 1 A 35 35 HIS HA H 35 4.864 4.704 0.160 2
1 317 . 1 1 A 35 35 HIS CB C 35 28.692 29.877 -1.185 2
1 324 . 1 1 A 35 35 HIS C C 35 175.824 175.337 0.487 2
1 325 . 1 1 A 36 36 THR N N 36 111.706 113.979 -2.273 2
1 326 . 1 1 A 36 36 THR H H 36 7.770 7.945 -0.175 2
1 327 . 1 1 A 36 36 THR CA C 36 62.523 63.887 -1.364 2
1 328 . 1 1 A 36 36 THR HA H 36 4.347 4.045 0.302 2
1 329 . 1 1 A 36 36 THR CB C 36 69.863 68.581 1.282 2
1 335 . 1 1 A 36 36 THR C C 36 175.637 175.213 0.424 2
1 336 . 1 1 A 37 37 GLY N N 37 110.627 111.314 -0.687 2
1 337 . 1 1 A 37 37 GLY H H 37 8.221 8.277 -0.056 2
1 338 . 1 1 A 37 37 GLY CA C 37 45.344 46.011 -0.667 2
1 339 . 1 1 A 37 37 GLY HA2 H 37 4.018 4.008 0.010 2
1 340 . 1 1 A 37 37 GLY HA3 H 37 3.943 4.014 -0.071 2
1 341 . 1 1 A 37 37 GLY C C 37 174.070 174.050 0.020 2
1 342 . 1 1 A 38 38 GLU N N 38 120.538 121.042 -0.504 2
1 343 . 1 1 A 38 38 GLU H H 38 8.081 8.212 -0.131 2
1 344 . 1 1 A 38 38 GLU CA C 38 56.425 55.815 0.610 2
1 345 . 1 1 A 38 38 GLU HA H 38 4.240 4.545 -0.305 2
1 346 . 1 1 A 38 38 GLU CB C 38 30.510 30.645 -0.135 2
1 352 . 1 1 A 38 38 GLU C C 38 176.244 175.692 0.552 2
1 353 . 1 1 A 39 39 LYS N N 39 123.780 122.455 1.325 2
1 354 . 1 1 A 39 39 LYS H H 39 8.381 8.422 -0.041 2
1 355 . 1 1 A 39 39 LYS CA C 39 54.135 54.015 0.120 2
1 356 . 1 1 A 39 39 LYS HA H 39 4.593 4.728 -0.135 2
1 357 . 1 1 A 39 39 LYS CB C 39 32.496 34.276 -1.780 2
1 369 . 1 1 A 39 39 LYS C C 39 174.521 175.288 -0.767 2
1 370 . 1 1 A 40 40 PRO CA C 40 63.225 63.496 -0.271 2
1 371 . 1 1 A 40 40 PRO HA H 40 4.452 4.513 -0.061 2
1 372 . 1 1 A 40 40 PRO CB C 40 32.181 31.884 0.297 2
1 381 . 1 1 A 40 40 PRO C C 40 176.999 176.720 0.279 2
1 382 . 1 1 A 41 41 SER N N 41 116.501 114.723 1.778 2
1 383 . 1 1 A 41 41 SER H H 41 8.466 8.239 0.227 2
1 384 . 1 1 A 41 41 SER CA C 41 58.367 58.388 -0.021 2
1 385 . 1 1 A 41 41 SER HA H 41 4.512 4.554 -0.042 2
1 386 . 1 1 A 41 41 SER CB C 41 63.986 63.880 0.106 2
1 388 . 1 1 A 41 41 SER C C 41 174.682 174.243 0.439 2
1 389 . 1 1 A 42 42 GLY CA C 42 44.661 45.287 -0.626 2
1 390 . 1 1 A 42 42 GLY HA2 H 42 4.099 4.067 0.032 2
1 391 . 1 1 A 42 42 GLY HA3 H 42 4.147 4.068 0.079 2
1 392 . 1 1 A 43 43 PRO CA C 43 63.240 63.655 -0.415 2
1 393 . 1 1 A 43 43 PRO HA H 43 4.463 4.476 -0.013 2
1 394 . 1 1 A 43 43 PRO CB C 43 32.179 31.768 0.411 2
1 403 . 1 1 A 45 45 SER CA C 45 58.420 59.233 -0.813 2
1 404 . 1 1 A 45 45 SER HA H 45 4.496 4.511 -0.015 2
1 405 . 1 1 A 45 45 SER CB C 45 63.789 64.065 -0.276 2
1 407 . 1 1 A 45 45 SER C C 45 173.912 174.893 -0.981 2
stop_
save_