data_10177_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10177
_Entry.PDB_ID 2YTP
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY CA C 7 45.453 44.145 1.308 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 4.042 4.078 -0.036 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 4.042 4.079 -0.037 1
1 4 . 1 1 1 A 7 7 GLY C C 7 174.573 172.350 2.223 1
1 5 . 1 1 1 A 8 8 THR N N 8 112.804 114.502 -1.698 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.143 8.438 -0.295 1
1 7 . 1 1 1 A 8 8 THR CA C 8 62.075 59.619 2.456 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.367 5.199 -0.832 1
1 9 . 1 1 1 A 8 8 THR CB C 8 69.768 72.278 -2.510 1
1 15 . 1 1 1 A 8 8 THR C C 8 175.337 174.148 1.189 1
1 16 . 1 1 1 A 9 9 GLY N N 9 110.991 109.266 1.725 1
1 17 . 1 1 1 A 9 9 GLY H H 9 8.462 8.623 -0.161 1
1 18 . 1 1 1 A 9 9 GLY CA C 9 45.399 46.118 -0.719 1
1 19 . 1 1 1 A 9 9 GLY HA2 H 9 4.023 4.171 -0.148 1
1 20 . 1 1 1 A 9 9 GLY HA3 H 9 3.951 4.176 -0.225 1
1 21 . 1 1 1 A 9 9 GLY C C 9 174.073 173.494 0.579 1
1 22 . 1 1 1 A 10 10 GLU N N 10 120.581 123.612 -3.031 1
1 23 . 1 1 1 A 10 10 GLU H H 10 8.079 8.265 -0.186 1
1 24 . 1 1 1 A 10 10 GLU CA C 10 56.456 57.159 -0.703 1
1 25 . 1 1 1 A 10 10 GLU HA H 10 4.242 4.312 -0.070 1
1 26 . 1 1 1 A 10 10 GLU CB C 10 30.527 30.021 0.506 1
1 32 . 1 1 1 A 10 10 GLU C C 10 176.271 175.788 0.483 1
1 33 . 1 1 1 A 11 11 ARG N N 11 122.007 127.865 -5.858 1
1 34 . 1 1 1 A 11 11 ARG H H 11 8.340 9.001 -0.661 1
1 35 . 1 1 1 A 11 11 ARG CA C 11 55.538 54.564 0.974 1
1 36 . 1 1 1 A 11 11 ARG HA H 11 4.226 4.691 -0.465 1
1 37 . 1 1 1 A 11 11 ARG CB C 11 30.611 31.022 -0.411 1
1 46 . 1 1 1 A 11 11 ARG C C 11 174.992 174.756 0.236 1
1 47 . 1 1 1 A 12 12 HIS N N 12 119.313 119.685 -0.372 1
1 48 . 1 1 1 A 12 12 HIS H H 12 7.928 8.774 -0.846 1
1 49 . 1 1 1 A 12 12 HIS CA C 12 55.443 54.476 0.967 1
1 50 . 1 1 1 A 12 12 HIS HA H 12 4.611 5.777 -1.166 1
1 51 . 1 1 1 A 12 12 HIS CB C 12 31.542 31.160 0.382 1
1 58 . 1 1 1 A 12 12 HIS C C 12 173.859 173.996 -0.137 1
1 59 . 1 1 1 A 13 13 TYR N N 13 120.629 123.989 -3.360 1
1 60 . 1 1 1 A 13 13 TYR H H 13 8.698 8.871 -0.173 1
1 61 . 1 1 1 A 13 13 TYR CA C 13 57.583 57.492 0.091 1
1 62 . 1 1 1 A 13 13 TYR HA H 13 4.619 4.901 -0.282 1
1 63 . 1 1 1 A 13 13 TYR CB C 13 39.470 39.593 -0.123 1
1 74 . 1 1 1 A 13 13 TYR C C 13 174.783 175.687 -0.904 1
1 75 . 1 1 1 A 14 14 GLU N N 14 123.865 125.274 -1.409 1
1 76 . 1 1 1 A 14 14 GLU H H 14 8.733 8.839 -0.106 1
1 77 . 1 1 1 A 14 14 GLU CA C 14 55.094 55.916 -0.822 1
1 78 . 1 1 1 A 14 14 GLU HA H 14 4.934 5.027 -0.093 1
1 79 . 1 1 1 A 14 14 GLU CB C 14 32.824 31.034 1.790 1
1 85 . 1 1 1 A 14 14 GLU C C 14 175.407 176.295 -0.888 1
1 86 . 1 1 1 A 15 15 CYS N N 15 126.550 124.681 1.869 1
1 87 . 1 1 1 A 15 15 CYS H H 15 9.243 8.628 0.615 1
1 88 . 1 1 1 A 15 15 CYS CA C 15 59.494 58.156 1.338 1
1 89 . 1 1 1 A 15 15 CYS HA H 15 4.591 4.793 -0.202 1
1 90 . 1 1 1 A 15 15 CYS CB C 15 29.721 29.461 0.260 1
1 93 . 1 1 1 A 15 15 CYS C C 15 177.448 176.039 1.409 1
1 94 . 1 1 1 A 16 16 SER CA C 16 60.991 60.161 0.830 1
1 95 . 1 1 1 A 16 16 SER HA H 16 4.281 4.369 -0.088 1
1 96 . 1 1 1 A 16 16 SER CB C 16 63.004 62.898 0.106 1
1 99 . 1 1 1 A 16 16 SER C C 16 174.576 175.878 -1.302 1
1 100 . 1 1 1 A 17 17 GLU N N 17 122.766 121.191 1.575 1
1 101 . 1 1 1 A 17 17 GLU H H 17 8.641 7.801 0.840 1
1 102 . 1 1 1 A 17 17 GLU CA C 17 58.039 58.738 -0.699 1
1 103 . 1 1 1 A 17 17 GLU HA H 17 4.246 4.108 0.138 1
1 104 . 1 1 1 A 17 17 GLU CB C 17 29.583 29.995 -0.412 1
1 110 . 1 1 1 A 17 17 GLU C C 17 177.145 177.829 -0.684 1
1 111 . 1 1 1 A 18 18 CYS N N 18 114.540 116.085 -1.545 1
1 112 . 1 1 1 A 18 18 CYS H H 18 7.881 8.191 -0.310 1
1 113 . 1 1 1 A 18 18 CYS CA C 18 58.403 59.705 -1.302 1
1 114 . 1 1 1 A 18 18 CYS HA H 18 5.164 4.653 0.511 1
1 115 . 1 1 1 A 18 18 CYS CB C 18 32.532 29.835 2.697 1
1 118 . 1 1 1 A 18 18 CYS C C 18 176.314 175.447 0.867 1
1 119 . 1 1 1 A 19 19 GLY N N 19 113.441 110.360 3.081 1
1 120 . 1 1 1 A 19 19 GLY H H 19 8.210 8.113 0.097 1
1 121 . 1 1 1 A 19 19 GLY CA C 19 46.213 45.047 1.166 1
1 122 . 1 1 1 A 19 19 GLY HA2 H 19 3.866 4.091 -0.225 1
1 123 . 1 1 1 A 19 19 GLY HA3 H 19 4.209 4.108 0.101 1
1 124 . 1 1 1 A 19 19 GLY C C 19 173.754 174.572 -0.818 1
1 125 . 1 1 1 A 20 20 LYS N N 20 122.503 122.586 -0.083 1
1 126 . 1 1 1 A 20 20 LYS H H 20 7.874 7.652 0.222 1
1 127 . 1 1 1 A 20 20 LYS CA C 20 57.935 55.850 2.085 1
1 128 . 1 1 1 A 20 20 LYS HA H 20 3.953 4.233 -0.280 1
1 129 . 1 1 1 A 20 20 LYS CB C 20 33.881 32.955 0.926 1
1 141 . 1 1 1 A 20 20 LYS C C 20 173.729 175.861 -2.132 1
1 142 . 1 1 1 A 21 21 ALA N N 21 123.153 128.633 -5.480 1
1 143 . 1 1 1 A 21 21 ALA H H 21 7.808 8.481 -0.673 1
1 144 . 1 1 1 A 21 21 ALA CA C 21 50.379 50.430 -0.051 1
1 145 . 1 1 1 A 21 21 ALA HA H 21 5.019 5.285 -0.266 1
1 146 . 1 1 1 A 21 21 ALA CB C 21 21.933 20.900 1.033 1
1 150 . 1 1 1 A 21 21 ALA C C 21 176.429 176.610 -0.181 1
1 151 . 1 1 1 A 22 22 PHE N N 22 117.263 119.453 -2.190 1
1 152 . 1 1 1 A 22 22 PHE H H 22 8.627 8.976 -0.349 1
1 153 . 1 1 1 A 22 22 PHE CA C 22 57.115 56.971 0.144 1
1 154 . 1 1 1 A 22 22 PHE HA H 22 4.730 4.996 -0.266 1
1 155 . 1 1 1 A 22 22 PHE CB C 22 43.753 43.061 0.692 1
1 168 . 1 1 1 A 22 22 PHE C C 22 175.254 175.951 -0.697 1
1 169 . 1 1 1 A 23 23 ALA CA C 23 53.560 54.102 -0.542 1
1 170 . 1 1 1 A 23 23 ALA HA H 23 4.507 4.471 0.036 1
1 171 . 1 1 1 A 23 23 ALA CB C 23 19.794 20.047 -0.253 1
1 175 . 1 1 1 A 23 23 ALA C C 23 177.450 177.010 0.440 1
1 176 . 1 1 1 A 24 24 ARG N N 24 113.263 117.242 -3.979 1
1 177 . 1 1 1 A 24 24 ARG H H 24 7.468 7.938 -0.470 1
1 178 . 1 1 1 A 24 24 ARG CA C 24 53.899 54.720 -0.821 1
1 179 . 1 1 1 A 24 24 ARG HA H 24 4.741 4.696 0.045 1
1 180 . 1 1 1 A 24 24 ARG CB C 24 33.416 32.589 0.827 1
1 189 . 1 1 1 A 24 24 ARG C C 24 175.564 176.411 -0.847 1
1 190 . 1 1 1 A 25 25 LYS CA C 25 59.220 59.493 -0.273 1
1 191 . 1 1 1 A 25 25 LYS HA H 25 3.118 3.236 -0.118 1
1 192 . 1 1 1 A 25 25 LYS CB C 25 31.720 31.621 0.099 1
1 204 . 1 1 1 A 25 25 LYS C C 25 178.185 177.909 0.276 1
1 205 . 1 1 1 A 26 26 SER N N 26 112.513 115.096 -2.583 1
1 206 . 1 1 1 A 26 26 SER H H 26 8.477 8.366 0.111 1
1 207 . 1 1 1 A 26 26 SER CA C 26 61.122 61.379 -0.257 1
1 208 . 1 1 1 A 26 26 SER HA H 26 3.915 4.113 -0.198 1
1 209 . 1 1 1 A 26 26 SER CB C 26 61.354 62.106 -0.752 1
1 212 . 1 1 1 A 26 26 SER C C 26 177.077 176.765 0.312 1
1 213 . 1 1 1 A 27 27 THR N N 27 117.989 116.922 1.067 1
1 214 . 1 1 1 A 27 27 THR H H 27 6.929 7.982 -1.053 1
1 215 . 1 1 1 A 27 27 THR CA C 27 65.178 67.142 -1.964 1
1 216 . 1 1 1 A 27 27 THR HA H 27 3.875 3.794 0.081 1
1 217 . 1 1 1 A 27 27 THR CB C 27 67.995 68.270 -0.275 1
1 223 . 1 1 1 A 27 27 THR C C 27 176.325 176.153 0.172 1
1 224 . 1 1 1 A 28 28 LEU N N 28 123.865 120.618 3.247 1
1 225 . 1 1 1 A 28 28 LEU H H 28 7.075 7.379 -0.304 1
1 226 . 1 1 1 A 28 28 LEU CA C 28 58.313 57.791 0.522 1
1 227 . 1 1 1 A 28 28 LEU HA H 28 3.255 2.756 0.499 1
1 228 . 1 1 1 A 28 28 LEU CB C 28 40.195 41.344 -1.149 1
1 241 . 1 1 1 A 28 28 LEU C C 28 177.531 178.393 -0.862 1
1 242 . 1 1 1 A 29 29 ILE N N 29 119.337 119.904 -0.567 1
1 243 . 1 1 1 A 29 29 ILE H H 29 8.208 7.552 0.656 1
1 244 . 1 1 1 A 29 29 ILE CA C 29 64.671 65.323 -0.652 1
1 245 . 1 1 1 A 29 29 ILE HA H 29 3.738 3.499 0.239 1
1 246 . 1 1 1 A 29 29 ILE CB C 29 37.489 37.392 0.097 1
1 259 . 1 1 1 A 29 29 ILE C C 29 179.113 177.675 1.438 1
1 260 . 1 1 1 A 30 30 MET N N 30 117.854 117.897 -0.043 1
1 261 . 1 1 1 A 30 30 MET H H 30 7.452 7.972 -0.520 1
1 262 . 1 1 1 A 30 30 MET CA C 30 58.365 58.767 -0.402 1
1 263 . 1 1 1 A 30 30 MET HA H 30 4.111 4.034 0.077 1
1 264 . 1 1 1 A 30 30 MET CB C 30 32.273 32.063 0.210 1
1 274 . 1 1 1 A 30 30 MET C C 30 178.944 178.518 0.426 1
1 275 . 1 1 1 A 31 31 HIS N N 31 120.334 120.108 0.226 1
1 276 . 1 1 1 A 31 31 HIS H H 31 7.948 7.831 0.117 1
1 277 . 1 1 1 A 31 31 HIS CA C 31 59.151 59.333 -0.182 1
1 278 . 1 1 1 A 31 31 HIS HA H 31 4.157 4.207 -0.050 1
1 279 . 1 1 1 A 31 31 HIS CB C 31 28.008 29.632 -1.624 1
1 286 . 1 1 1 A 31 31 HIS C C 31 176.320 176.981 -0.661 1
1 287 . 1 1 1 A 32 32 GLN N N 32 115.623 117.320 -1.697 1
1 288 . 1 1 1 A 32 32 GLN H H 32 8.424 8.528 -0.104 1
1 289 . 1 1 1 A 32 32 GLN CA C 32 59.493 59.186 0.307 1
1 290 . 1 1 1 A 32 32 GLN HA H 32 3.663 3.890 -0.227 1
1 291 . 1 1 1 A 32 32 GLN CB C 32 28.305 28.317 -0.012 1
1 300 . 1 1 1 A 32 32 GLN C C 32 177.429 178.532 -1.103 1
1 301 . 1 1 1 A 33 33 ARG N N 33 117.693 119.615 -1.922 1
1 302 . 1 1 1 A 33 33 ARG H H 33 7.178 7.550 -0.372 1
1 303 . 1 1 1 A 33 33 ARG CA C 33 58.554 58.906 -0.352 1
1 304 . 1 1 1 A 33 33 ARG HA H 33 4.136 4.002 0.134 1
1 305 . 1 1 1 A 33 33 ARG CB C 33 30.111 29.868 0.243 1
1 314 . 1 1 1 A 33 33 ARG C C 33 178.642 178.701 -0.059 1
1 315 . 1 1 1 A 34 34 ILE N N 34 116.231 118.272 -2.041 1
1 316 . 1 1 1 A 34 34 ILE H H 34 7.835 7.949 -0.114 1
1 317 . 1 1 1 A 34 34 ILE CA C 34 63.054 64.230 -1.176 1
1 318 . 1 1 1 A 34 34 ILE HA H 34 3.974 3.724 0.250 1
1 319 . 1 1 1 A 34 34 ILE CB C 34 37.687 37.284 0.403 1
1 332 . 1 1 1 A 34 34 ILE C C 34 177.429 177.594 -0.165 1
1 333 . 1 1 1 A 35 35 HIS N N 35 117.721 120.044 -2.323 1
1 334 . 1 1 1 A 35 35 HIS H H 35 7.202 7.493 -0.291 1
1 335 . 1 1 1 A 35 35 HIS CA C 35 55.257 58.775 -3.518 1
1 336 . 1 1 1 A 35 35 HIS HA H 35 4.853 4.345 0.508 1
1 337 . 1 1 1 A 35 35 HIS CB C 35 28.493 29.847 -1.354 1
1 344 . 1 1 1 A 35 35 HIS C C 35 175.814 176.633 -0.819 1
1 345 . 1 1 1 A 36 36 THR N N 36 111.765 111.155 0.610 1
1 346 . 1 1 1 A 36 36 THR H H 36 7.763 7.315 0.448 1
1 347 . 1 1 1 A 36 36 THR CA C 36 62.569 62.750 -0.181 1
1 348 . 1 1 1 A 36 36 THR HA H 36 4.350 4.190 0.160 1
1 349 . 1 1 1 A 36 36 THR CB C 36 69.804 68.669 1.135 1
1 355 . 1 1 1 A 36 36 THR C C 36 175.474 173.780 1.694 1
1 356 . 1 1 1 A 37 37 GLY N N 37 110.608 113.790 -3.182 1
1 357 . 1 1 1 A 37 37 GLY H H 37 8.218 8.449 -0.231 1
1 358 . 1 1 1 A 37 37 GLY CA C 37 45.399 44.810 0.589 1
1 359 . 1 1 1 A 37 37 GLY HA2 H 37 3.955 4.153 -0.198 1
1 360 . 1 1 1 A 37 37 GLY HA3 H 37 4.026 4.160 -0.134 1
1 361 . 1 1 1 A 37 37 GLY C C 37 174.038 173.799 0.239 1
1 362 . 1 1 1 A 38 38 GLU N N 38 120.485 120.911 -0.426 1
1 363 . 1 1 1 A 38 38 GLU H H 38 8.221 9.099 -0.878 1
1 364 . 1 1 1 A 38 38 GLU CA C 38 56.456 57.175 -0.719 1
1 365 . 1 1 1 A 38 38 GLU HA H 38 4.219 3.962 0.257 1
1 366 . 1 1 1 A 38 38 GLU CB C 38 30.482 28.306 2.176 1
1 371 . 1 1 1 A 38 38 GLU C C 38 176.231 175.884 0.347 1
1 372 . 1 1 1 A 39 39 LYS N N 39 123.785 119.890 3.895 1
1 373 . 1 1 1 A 39 39 LYS H H 39 8.387 7.896 0.491 1
1 374 . 1 1 1 A 39 39 LYS CA C 39 54.108 55.174 -1.066 1
1 375 . 1 1 1 A 39 39 LYS HA H 39 4.607 4.341 0.266 1
1 376 . 1 1 1 A 39 39 LYS CB C 39 32.499 31.657 0.842 1
1 388 . 1 1 1 A 39 39 LYS C C 39 174.519 174.528 -0.009 1
1 389 . 1 1 1 A 40 40 PRO CA C 40 63.238 62.827 0.411 1
1 390 . 1 1 1 A 40 40 PRO HA H 40 4.463 4.724 -0.261 1
1 391 . 1 1 1 A 40 40 PRO CB C 40 32.180 31.684 0.496 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.453 47.404 -1.951 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 4.042 3.840 0.202 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 4.042 3.840 0.202 1
1 4 . 2 1 1 A 7 7 GLY C C 7 174.573 173.641 0.932 1
1 5 . 2 1 1 A 8 8 THR N N 8 112.804 115.720 -2.916 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.143 8.260 -0.117 1
1 7 . 2 1 1 A 8 8 THR CA C 8 62.075 60.639 1.436 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.367 4.847 -0.480 1
1 9 . 2 1 1 A 8 8 THR CB C 8 69.768 71.413 -1.645 1
1 15 . 2 1 1 A 8 8 THR C C 8 175.337 174.407 0.930 1
1 16 . 2 1 1 A 9 9 GLY N N 9 110.991 113.744 -2.753 1
1 17 . 2 1 1 A 9 9 GLY H H 9 8.462 8.661 -0.199 1
1 18 . 2 1 1 A 9 9 GLY CA C 9 45.399 45.194 0.205 1
1 19 . 2 1 1 A 9 9 GLY HA2 H 9 4.023 4.071 -0.048 1
1 20 . 2 1 1 A 9 9 GLY HA3 H 9 3.951 4.074 -0.123 1
1 21 . 2 1 1 A 9 9 GLY C C 9 174.073 174.288 -0.215 1
1 22 . 2 1 1 A 10 10 GLU N N 10 120.581 119.539 1.042 1
1 23 . 2 1 1 A 10 10 GLU H H 10 8.079 8.815 -0.736 1
1 24 . 2 1 1 A 10 10 GLU CA C 10 56.456 56.318 0.138 1
1 25 . 2 1 1 A 10 10 GLU HA H 10 4.242 4.586 -0.344 1
1 26 . 2 1 1 A 10 10 GLU CB C 10 30.527 29.310 1.217 1
1 32 . 2 1 1 A 10 10 GLU C C 10 176.271 176.300 -0.029 1
1 33 . 2 1 1 A 11 11 ARG N N 11 122.007 121.895 0.112 1
1 34 . 2 1 1 A 11 11 ARG H H 11 8.340 7.591 0.749 1
1 35 . 2 1 1 A 11 11 ARG CA C 11 55.538 55.386 0.152 1
1 36 . 2 1 1 A 11 11 ARG HA H 11 4.226 4.380 -0.154 1
1 37 . 2 1 1 A 11 11 ARG CB C 11 30.611 29.243 1.368 1
1 46 . 2 1 1 A 11 11 ARG C C 11 174.992 175.222 -0.230 1
1 47 . 2 1 1 A 12 12 HIS N N 12 119.313 118.945 0.368 1
1 48 . 2 1 1 A 12 12 HIS H H 12 7.928 8.392 -0.464 1
1 49 . 2 1 1 A 12 12 HIS CA C 12 55.443 54.081 1.362 1
1 50 . 2 1 1 A 12 12 HIS HA H 12 4.611 5.977 -1.366 1
1 51 . 2 1 1 A 12 12 HIS CB C 12 31.542 31.436 0.106 1
1 58 . 2 1 1 A 12 12 HIS C C 12 173.859 173.742 0.117 1
1 59 . 2 1 1 A 13 13 TYR N N 13 120.629 123.995 -3.366 1
1 60 . 2 1 1 A 13 13 TYR H H 13 8.698 9.009 -0.311 1
1 61 . 2 1 1 A 13 13 TYR CA C 13 57.583 57.378 0.205 1
1 62 . 2 1 1 A 13 13 TYR HA H 13 4.619 4.869 -0.250 1
1 63 . 2 1 1 A 13 13 TYR CB C 13 39.470 39.940 -0.470 1
1 74 . 2 1 1 A 13 13 TYR C C 13 174.783 175.352 -0.569 1
1 75 . 2 1 1 A 14 14 GLU N N 14 123.865 125.039 -1.174 1
1 76 . 2 1 1 A 14 14 GLU H H 14 8.733 8.801 -0.068 1
1 77 . 2 1 1 A 14 14 GLU CA C 14 55.094 55.455 -0.361 1
1 78 . 2 1 1 A 14 14 GLU HA H 14 4.934 5.221 -0.287 1
1 79 . 2 1 1 A 14 14 GLU CB C 14 32.824 31.169 1.655 1
1 85 . 2 1 1 A 14 14 GLU C C 14 175.407 175.976 -0.569 1
1 86 . 2 1 1 A 15 15 CYS N N 15 126.550 124.280 2.270 1
1 87 . 2 1 1 A 15 15 CYS H H 15 9.243 8.613 0.630 1
1 88 . 2 1 1 A 15 15 CYS CA C 15 59.494 58.119 1.375 1
1 89 . 2 1 1 A 15 15 CYS HA H 15 4.591 4.838 -0.247 1
1 90 . 2 1 1 A 15 15 CYS CB C 15 29.721 29.229 0.492 1
1 93 . 2 1 1 A 15 15 CYS C C 15 177.448 176.165 1.283 1
1 94 . 2 1 1 A 16 16 SER CA C 16 60.991 60.912 0.079 1
1 95 . 2 1 1 A 16 16 SER HA H 16 4.281 4.211 0.070 1
1 96 . 2 1 1 A 16 16 SER CB C 16 63.004 62.948 0.056 1
1 99 . 2 1 1 A 16 16 SER C C 16 174.576 175.827 -1.251 1
1 100 . 2 1 1 A 17 17 GLU N N 17 122.766 121.674 1.092 1
1 101 . 2 1 1 A 17 17 GLU H H 17 8.641 7.755 0.886 1
1 102 . 2 1 1 A 17 17 GLU CA C 17 58.039 58.766 -0.727 1
1 103 . 2 1 1 A 17 17 GLU HA H 17 4.246 4.071 0.175 1
1 104 . 2 1 1 A 17 17 GLU CB C 17 29.583 29.880 -0.297 1
1 110 . 2 1 1 A 17 17 GLU C C 17 177.145 177.766 -0.621 1
1 111 . 2 1 1 A 18 18 CYS N N 18 114.540 115.964 -1.424 1
1 112 . 2 1 1 A 18 18 CYS H H 18 7.881 8.203 -0.322 1
1 113 . 2 1 1 A 18 18 CYS CA C 18 58.403 59.582 -1.179 1
1 114 . 2 1 1 A 18 18 CYS HA H 18 5.164 4.700 0.464 1
1 115 . 2 1 1 A 18 18 CYS CB C 18 32.532 30.044 2.488 1
1 118 . 2 1 1 A 18 18 CYS C C 18 176.314 175.536 0.778 1
1 119 . 2 1 1 A 19 19 GLY N N 19 113.441 110.286 3.155 1
1 120 . 2 1 1 A 19 19 GLY H H 19 8.210 8.008 0.202 1
1 121 . 2 1 1 A 19 19 GLY CA C 19 46.213 45.050 1.163 1
1 122 . 2 1 1 A 19 19 GLY HA2 H 19 3.866 4.070 -0.204 1
1 123 . 2 1 1 A 19 19 GLY HA3 H 19 4.209 4.087 0.122 1
1 124 . 2 1 1 A 19 19 GLY C C 19 173.754 174.539 -0.785 1
1 125 . 2 1 1 A 20 20 LYS N N 20 122.503 120.222 2.281 1
1 126 . 2 1 1 A 20 20 LYS H H 20 7.874 7.132 0.742 1
1 127 . 2 1 1 A 20 20 LYS CA C 20 57.935 56.154 1.781 1
1 128 . 2 1 1 A 20 20 LYS HA H 20 3.953 4.127 -0.174 1
1 129 . 2 1 1 A 20 20 LYS CB C 20 33.881 32.447 1.434 1
1 141 . 2 1 1 A 20 20 LYS C C 20 173.729 175.568 -1.839 1
1 142 . 2 1 1 A 21 21 ALA N N 21 123.153 128.435 -5.282 1
1 143 . 2 1 1 A 21 21 ALA H H 21 7.808 8.476 -0.668 1
1 144 . 2 1 1 A 21 21 ALA CA C 21 50.379 50.592 -0.213 1
1 145 . 2 1 1 A 21 21 ALA HA H 21 5.019 5.013 0.006 1
1 146 . 2 1 1 A 21 21 ALA CB C 21 21.933 20.319 1.614 1
1 150 . 2 1 1 A 21 21 ALA C C 21 176.429 176.716 -0.287 1
1 151 . 2 1 1 A 22 22 PHE N N 22 117.263 120.976 -3.713 1
1 152 . 2 1 1 A 22 22 PHE H H 22 8.627 9.408 -0.781 1
1 153 . 2 1 1 A 22 22 PHE CA C 22 57.115 56.959 0.156 1
1 154 . 2 1 1 A 22 22 PHE HA H 22 4.730 5.097 -0.367 1
1 155 . 2 1 1 A 22 22 PHE CB C 22 43.753 42.390 1.363 1
1 168 . 2 1 1 A 22 22 PHE C C 22 175.254 176.026 -0.772 1
1 169 . 2 1 1 A 23 23 ALA CA C 23 53.560 54.401 -0.841 1
1 170 . 2 1 1 A 23 23 ALA HA H 23 4.507 4.424 0.083 1
1 171 . 2 1 1 A 23 23 ALA CB C 23 19.794 19.894 -0.100 1
1 175 . 2 1 1 A 23 23 ALA C C 23 177.450 177.458 -0.008 1
1 176 . 2 1 1 A 24 24 ARG N N 24 113.263 117.266 -4.003 1
1 177 . 2 1 1 A 24 24 ARG H H 24 7.468 7.932 -0.464 1
1 178 . 2 1 1 A 24 24 ARG CA C 24 53.899 54.929 -1.030 1
1 179 . 2 1 1 A 24 24 ARG HA H 24 4.741 4.768 -0.027 1
1 180 . 2 1 1 A 24 24 ARG CB C 24 33.416 32.340 1.076 1
1 189 . 2 1 1 A 24 24 ARG C C 24 175.564 176.388 -0.824 1
1 190 . 2 1 1 A 25 25 LYS CA C 25 59.220 59.483 -0.263 1
1 191 . 2 1 1 A 25 25 LYS HA H 25 3.118 3.329 -0.211 1
1 192 . 2 1 1 A 25 25 LYS CB C 25 31.720 31.875 -0.155 1
1 204 . 2 1 1 A 25 25 LYS C C 25 178.185 178.229 -0.044 1
1 205 . 2 1 1 A 26 26 SER N N 26 112.513 116.152 -3.639 1
1 206 . 2 1 1 A 26 26 SER H H 26 8.477 8.083 0.394 1
1 207 . 2 1 1 A 26 26 SER CA C 26 61.122 62.285 -1.163 1
1 208 . 2 1 1 A 26 26 SER HA H 26 3.915 4.029 -0.114 1
1 209 . 2 1 1 A 26 26 SER CB C 26 61.354 62.895 -1.541 1
1 212 . 2 1 1 A 26 26 SER C C 26 177.077 175.949 1.128 1
1 213 . 2 1 1 A 27 27 THR N N 27 117.989 117.486 0.503 1
1 214 . 2 1 1 A 27 27 THR H H 27 6.929 7.961 -1.032 1
1 215 . 2 1 1 A 27 27 THR CA C 27 65.178 67.128 -1.950 1
1 216 . 2 1 1 A 27 27 THR HA H 27 3.875 3.801 0.074 1
1 217 . 2 1 1 A 27 27 THR CB C 27 67.995 68.277 -0.282 1
1 223 . 2 1 1 A 27 27 THR C C 27 176.325 176.113 0.212 1
1 224 . 2 1 1 A 28 28 LEU N N 28 123.865 120.609 3.256 1
1 225 . 2 1 1 A 28 28 LEU H H 28 7.075 7.506 -0.431 1
1 226 . 2 1 1 A 28 28 LEU CA C 28 58.313 57.839 0.474 1
1 227 . 2 1 1 A 28 28 LEU HA H 28 3.255 2.720 0.535 1
1 228 . 2 1 1 A 28 28 LEU CB C 28 40.195 41.358 -1.163 1
1 241 . 2 1 1 A 28 28 LEU C C 28 177.531 178.407 -0.876 1
1 242 . 2 1 1 A 29 29 ILE N N 29 119.337 119.764 -0.427 1
1 243 . 2 1 1 A 29 29 ILE H H 29 8.208 7.635 0.573 1
1 244 . 2 1 1 A 29 29 ILE CA C 29 64.671 65.334 -0.663 1
1 245 . 2 1 1 A 29 29 ILE HA H 29 3.738 3.516 0.222 1
1 246 . 2 1 1 A 29 29 ILE CB C 29 37.489 37.505 -0.016 1
1 259 . 2 1 1 A 29 29 ILE C C 29 179.113 177.712 1.401 1
1 260 . 2 1 1 A 30 30 MET N N 30 117.854 118.218 -0.364 1
1 261 . 2 1 1 A 30 30 MET H H 30 7.452 7.961 -0.509 1
1 262 . 2 1 1 A 30 30 MET CA C 30 58.365 59.025 -0.660 1
1 263 . 2 1 1 A 30 30 MET HA H 30 4.111 3.987 0.124 1
1 264 . 2 1 1 A 30 30 MET CB C 30 32.273 32.504 -0.231 1
1 274 . 2 1 1 A 30 30 MET C C 30 178.944 178.543 0.401 1
1 275 . 2 1 1 A 31 31 HIS N N 31 120.334 119.877 0.457 1
1 276 . 2 1 1 A 31 31 HIS H H 31 7.948 7.826 0.122 1
1 277 . 2 1 1 A 31 31 HIS CA C 31 59.151 59.462 -0.311 1
1 278 . 2 1 1 A 31 31 HIS HA H 31 4.157 4.207 -0.050 1
1 279 . 2 1 1 A 31 31 HIS CB C 31 28.008 29.765 -1.757 1
1 286 . 2 1 1 A 31 31 HIS C C 31 176.320 176.867 -0.547 1
1 287 . 2 1 1 A 32 32 GLN N N 32 115.623 117.290 -1.667 1
1 288 . 2 1 1 A 32 32 GLN H H 32 8.424 8.492 -0.068 1
1 289 . 2 1 1 A 32 32 GLN CA C 32 59.493 59.243 0.250 1
1 290 . 2 1 1 A 32 32 GLN HA H 32 3.663 3.947 -0.284 1
1 291 . 2 1 1 A 32 32 GLN CB C 32 28.305 28.294 0.011 1
1 300 . 2 1 1 A 32 32 GLN C C 32 177.429 178.431 -1.002 1
1 301 . 2 1 1 A 33 33 ARG N N 33 117.693 119.776 -2.083 1
1 302 . 2 1 1 A 33 33 ARG H H 33 7.178 7.646 -0.468 1
1 303 . 2 1 1 A 33 33 ARG CA C 33 58.554 58.907 -0.353 1
1 304 . 2 1 1 A 33 33 ARG HA H 33 4.136 3.962 0.174 1
1 305 . 2 1 1 A 33 33 ARG CB C 33 30.111 29.867 0.244 1
1 314 . 2 1 1 A 33 33 ARG C C 33 178.642 178.684 -0.042 1
1 315 . 2 1 1 A 34 34 ILE N N 34 116.231 118.073 -1.842 1
1 316 . 2 1 1 A 34 34 ILE H H 34 7.835 8.028 -0.193 1
1 317 . 2 1 1 A 34 34 ILE CA C 34 63.054 64.231 -1.177 1
1 318 . 2 1 1 A 34 34 ILE HA H 34 3.974 3.737 0.237 1
1 319 . 2 1 1 A 34 34 ILE CB C 34 37.687 37.286 0.401 1
1 332 . 2 1 1 A 34 34 ILE C C 34 177.429 177.709 -0.280 1
1 333 . 2 1 1 A 35 35 HIS N N 35 117.721 119.653 -1.932 1
1 334 . 2 1 1 A 35 35 HIS H H 35 7.202 7.565 -0.363 1
1 335 . 2 1 1 A 35 35 HIS CA C 35 55.257 59.045 -3.788 1
1 336 . 2 1 1 A 35 35 HIS HA H 35 4.853 4.357 0.496 1
1 337 . 2 1 1 A 35 35 HIS CB C 35 28.493 30.127 -1.634 1
1 344 . 2 1 1 A 35 35 HIS C C 35 175.814 176.325 -0.511 1
1 345 . 2 1 1 A 36 36 THR N N 36 111.765 112.499 -0.734 1
1 346 . 2 1 1 A 36 36 THR H H 36 7.763 7.608 0.155 1
1 347 . 2 1 1 A 36 36 THR CA C 36 62.569 63.835 -1.266 1
1 348 . 2 1 1 A 36 36 THR HA H 36 4.350 3.934 0.416 1
1 349 . 2 1 1 A 36 36 THR CB C 36 69.804 68.645 1.159 1
1 355 . 2 1 1 A 36 36 THR C C 36 175.474 175.845 -0.371 1
1 356 . 2 1 1 A 37 37 GLY N N 37 110.608 115.810 -5.202 1
1 357 . 2 1 1 A 37 37 GLY H H 37 8.218 8.981 -0.763 1
1 358 . 2 1 1 A 37 37 GLY CA C 37 45.399 46.319 -0.920 1
1 359 . 2 1 1 A 37 37 GLY HA2 H 37 3.955 3.897 0.058 1
1 360 . 2 1 1 A 37 37 GLY HA3 H 37 4.026 3.902 0.124 1
1 361 . 2 1 1 A 37 37 GLY C C 37 174.038 173.581 0.457 1
1 362 . 2 1 1 A 38 38 GLU N N 38 120.485 119.443 1.042 1
1 363 . 2 1 1 A 38 38 GLU H H 38 8.221 7.904 0.317 1
1 364 . 2 1 1 A 38 38 GLU CA C 38 56.456 54.716 1.740 1
1 365 . 2 1 1 A 38 38 GLU HA H 38 4.219 4.839 -0.620 1
1 366 . 2 1 1 A 38 38 GLU CB C 38 30.482 33.324 -2.842 1
1 371 . 2 1 1 A 38 38 GLU C C 38 176.231 174.852 1.379 1
1 372 . 2 1 1 A 39 39 LYS N N 39 123.785 122.336 1.449 1
1 373 . 2 1 1 A 39 39 LYS H H 39 8.387 9.027 -0.640 1
1 374 . 2 1 1 A 39 39 LYS CA C 39 54.108 53.383 0.725 1
1 375 . 2 1 1 A 39 39 LYS HA H 39 4.607 5.025 -0.418 1
1 376 . 2 1 1 A 39 39 LYS CB C 39 32.499 34.729 -2.230 1
1 388 . 2 1 1 A 39 39 LYS C C 39 174.519 174.583 -0.064 1
1 389 . 2 1 1 A 40 40 PRO CA C 40 63.238 62.578 0.660 1
1 390 . 2 1 1 A 40 40 PRO HA H 40 4.463 4.761 -0.298 1
1 391 . 2 1 1 A 40 40 PRO CB C 40 32.180 30.145 2.035 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.453 44.150 1.303 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 4.042 4.076 -0.034 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 4.042 4.076 -0.034 1
1 4 . 3 1 1 A 7 7 GLY C C 7 174.573 174.331 0.242 1
1 5 . 3 1 1 A 8 8 THR N N 8 112.804 112.963 -0.159 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.143 8.552 -0.409 1
1 7 . 3 1 1 A 8 8 THR CA C 8 62.075 65.064 -2.989 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.367 4.181 0.186 1
1 9 . 3 1 1 A 8 8 THR CB C 8 69.768 68.845 0.923 1
1 15 . 3 1 1 A 8 8 THR C C 8 175.337 174.783 0.554 1
1 16 . 3 1 1 A 9 9 GLY N N 9 110.991 108.374 2.617 1
1 17 . 3 1 1 A 9 9 GLY H H 9 8.462 7.356 1.106 1
1 18 . 3 1 1 A 9 9 GLY CA C 9 45.399 46.049 -0.650 1
1 19 . 3 1 1 A 9 9 GLY HA2 H 9 4.023 4.068 -0.045 1
1 20 . 3 1 1 A 9 9 GLY HA3 H 9 3.951 4.073 -0.122 1
1 21 . 3 1 1 A 9 9 GLY C C 9 174.073 171.886 2.187 1
1 22 . 3 1 1 A 10 10 GLU N N 10 120.581 124.614 -4.033 1
1 23 . 3 1 1 A 10 10 GLU H H 10 8.079 9.129 -1.050 1
1 24 . 3 1 1 A 10 10 GLU CA C 10 56.456 55.172 1.284 1
1 25 . 3 1 1 A 10 10 GLU HA H 10 4.242 4.882 -0.640 1
1 26 . 3 1 1 A 10 10 GLU CB C 10 30.527 30.839 -0.312 1
1 32 . 3 1 1 A 10 10 GLU C C 10 176.271 174.967 1.304 1
1 33 . 3 1 1 A 11 11 ARG N N 11 122.007 128.458 -6.451 1
1 34 . 3 1 1 A 11 11 ARG H H 11 8.340 8.940 -0.600 1
1 35 . 3 1 1 A 11 11 ARG CA C 11 55.538 54.710 0.828 1
1 36 . 3 1 1 A 11 11 ARG HA H 11 4.226 4.789 -0.563 1
1 37 . 3 1 1 A 11 11 ARG CB C 11 30.611 30.681 -0.070 1
1 46 . 3 1 1 A 11 11 ARG C C 11 174.992 174.933 0.059 1
1 47 . 3 1 1 A 12 12 HIS N N 12 119.313 121.324 -2.011 1
1 48 . 3 1 1 A 12 12 HIS H H 12 7.928 8.413 -0.485 1
1 49 . 3 1 1 A 12 12 HIS CA C 12 55.443 54.598 0.845 1
1 50 . 3 1 1 A 12 12 HIS HA H 12 4.611 5.620 -1.009 1
1 51 . 3 1 1 A 12 12 HIS CB C 12 31.542 30.964 0.578 1
1 58 . 3 1 1 A 12 12 HIS C C 12 173.859 174.200 -0.341 1
1 59 . 3 1 1 A 13 13 TYR N N 13 120.629 123.971 -3.342 1
1 60 . 3 1 1 A 13 13 TYR H H 13 8.698 8.894 -0.196 1
1 61 . 3 1 1 A 13 13 TYR CA C 13 57.583 57.664 -0.081 1
1 62 . 3 1 1 A 13 13 TYR HA H 13 4.619 4.828 -0.209 1
1 63 . 3 1 1 A 13 13 TYR CB C 13 39.470 39.605 -0.135 1
1 74 . 3 1 1 A 13 13 TYR C C 13 174.783 175.749 -0.966 1
1 75 . 3 1 1 A 14 14 GLU N N 14 123.865 125.032 -1.167 1
1 76 . 3 1 1 A 14 14 GLU H H 14 8.733 8.775 -0.042 1
1 77 . 3 1 1 A 14 14 GLU CA C 14 55.094 56.067 -0.973 1
1 78 . 3 1 1 A 14 14 GLU HA H 14 4.934 5.019 -0.085 1
1 79 . 3 1 1 A 14 14 GLU CB C 14 32.824 30.883 1.941 1
1 85 . 3 1 1 A 14 14 GLU C C 14 175.407 176.105 -0.698 1
1 86 . 3 1 1 A 15 15 CYS N N 15 126.550 124.403 2.147 1
1 87 . 3 1 1 A 15 15 CYS H H 15 9.243 8.767 0.476 1
1 88 . 3 1 1 A 15 15 CYS CA C 15 59.494 57.889 1.605 1
1 89 . 3 1 1 A 15 15 CYS HA H 15 4.591 4.845 -0.254 1
1 90 . 3 1 1 A 15 15 CYS CB C 15 29.721 29.615 0.106 1
1 93 . 3 1 1 A 15 15 CYS C C 15 177.448 175.971 1.477 1
1 94 . 3 1 1 A 16 16 SER CA C 16 60.991 60.664 0.327 1
1 95 . 3 1 1 A 16 16 SER HA H 16 4.281 4.276 0.005 1
1 96 . 3 1 1 A 16 16 SER CB C 16 63.004 62.917 0.087 1
1 99 . 3 1 1 A 16 16 SER C C 16 174.576 175.785 -1.209 1
1 100 . 3 1 1 A 17 17 GLU N N 17 122.766 121.261 1.505 1
1 101 . 3 1 1 A 17 17 GLU H H 17 8.641 7.815 0.826 1
1 102 . 3 1 1 A 17 17 GLU CA C 17 58.039 58.797 -0.758 1
1 103 . 3 1 1 A 17 17 GLU HA H 17 4.246 4.029 0.217 1
1 104 . 3 1 1 A 17 17 GLU CB C 17 29.583 30.127 -0.544 1
1 110 . 3 1 1 A 17 17 GLU C C 17 177.145 177.627 -0.482 1
1 111 . 3 1 1 A 18 18 CYS N N 18 114.540 115.691 -1.151 1
1 112 . 3 1 1 A 18 18 CYS H H 18 7.881 8.050 -0.169 1
1 113 . 3 1 1 A 18 18 CYS CA C 18 58.403 59.627 -1.224 1
1 114 . 3 1 1 A 18 18 CYS HA H 18 5.164 4.657 0.507 1
1 115 . 3 1 1 A 18 18 CYS CB C 18 32.532 30.012 2.520 1
1 118 . 3 1 1 A 18 18 CYS C C 18 176.314 175.649 0.665 1
1 119 . 3 1 1 A 19 19 GLY N N 19 113.441 110.145 3.296 1
1 120 . 3 1 1 A 19 19 GLY H H 19 8.210 7.930 0.280 1
1 121 . 3 1 1 A 19 19 GLY CA C 19 46.213 45.002 1.211 1
1 122 . 3 1 1 A 19 19 GLY HA2 H 19 3.866 4.100 -0.234 1
1 123 . 3 1 1 A 19 19 GLY HA3 H 19 4.209 4.115 0.094 1
1 124 . 3 1 1 A 19 19 GLY C C 19 173.754 174.589 -0.835 1
1 125 . 3 1 1 A 20 20 LYS N N 20 122.503 122.624 -0.121 1
1 126 . 3 1 1 A 20 20 LYS H H 20 7.874 7.681 0.193 1
1 127 . 3 1 1 A 20 20 LYS CA C 20 57.935 55.975 1.960 1
1 128 . 3 1 1 A 20 20 LYS HA H 20 3.953 4.221 -0.268 1
1 129 . 3 1 1 A 20 20 LYS CB C 20 33.881 33.071 0.810 1
1 141 . 3 1 1 A 20 20 LYS C C 20 173.729 175.877 -2.148 1
1 142 . 3 1 1 A 21 21 ALA N N 21 123.153 128.591 -5.438 1
1 143 . 3 1 1 A 21 21 ALA H H 21 7.808 8.493 -0.685 1
1 144 . 3 1 1 A 21 21 ALA CA C 21 50.379 50.337 0.042 1
1 145 . 3 1 1 A 21 21 ALA HA H 21 5.019 5.335 -0.316 1
1 146 . 3 1 1 A 21 21 ALA CB C 21 21.933 21.116 0.817 1
1 150 . 3 1 1 A 21 21 ALA C C 21 176.429 176.531 -0.102 1
1 151 . 3 1 1 A 22 22 PHE N N 22 117.263 119.462 -2.199 1
1 152 . 3 1 1 A 22 22 PHE H H 22 8.627 8.992 -0.365 1
1 153 . 3 1 1 A 22 22 PHE CA C 22 57.115 56.909 0.206 1
1 154 . 3 1 1 A 22 22 PHE HA H 22 4.730 5.014 -0.284 1
1 155 . 3 1 1 A 22 22 PHE CB C 22 43.753 43.375 0.378 1
1 168 . 3 1 1 A 22 22 PHE C C 22 175.254 175.770 -0.516 1
1 169 . 3 1 1 A 23 23 ALA CA C 23 53.560 54.033 -0.473 1
1 170 . 3 1 1 A 23 23 ALA HA H 23 4.507 4.485 0.022 1
1 171 . 3 1 1 A 23 23 ALA CB C 23 19.794 20.363 -0.569 1
1 175 . 3 1 1 A 23 23 ALA C C 23 177.450 177.172 0.278 1
1 176 . 3 1 1 A 24 24 ARG N N 24 113.263 117.173 -3.910 1
1 177 . 3 1 1 A 24 24 ARG H H 24 7.468 7.887 -0.419 1
1 178 . 3 1 1 A 24 24 ARG CA C 24 53.899 54.700 -0.801 1
1 179 . 3 1 1 A 24 24 ARG HA H 24 4.741 4.657 0.084 1
1 180 . 3 1 1 A 24 24 ARG CB C 24 33.416 32.553 0.863 1
1 189 . 3 1 1 A 24 24 ARG C C 24 175.564 176.290 -0.726 1
1 190 . 3 1 1 A 25 25 LYS CA C 25 59.220 59.411 -0.191 1
1 191 . 3 1 1 A 25 25 LYS HA H 25 3.118 3.390 -0.272 1
1 192 . 3 1 1 A 25 25 LYS CB C 25 31.720 32.035 -0.315 1
1 204 . 3 1 1 A 25 25 LYS C C 25 178.185 178.136 0.049 1
1 205 . 3 1 1 A 26 26 SER N N 26 112.513 116.165 -3.652 1
1 206 . 3 1 1 A 26 26 SER H H 26 8.477 8.114 0.363 1
1 207 . 3 1 1 A 26 26 SER CA C 26 61.122 62.350 -1.228 1
1 208 . 3 1 1 A 26 26 SER HA H 26 3.915 4.038 -0.123 1
1 209 . 3 1 1 A 26 26 SER CB C 26 61.354 62.907 -1.553 1
1 212 . 3 1 1 A 26 26 SER C C 26 177.077 176.046 1.031 1
1 213 . 3 1 1 A 27 27 THR N N 27 117.989 117.185 0.804 1
1 214 . 3 1 1 A 27 27 THR H H 27 6.929 7.961 -1.032 1
1 215 . 3 1 1 A 27 27 THR CA C 27 65.178 67.169 -1.991 1
1 216 . 3 1 1 A 27 27 THR HA H 27 3.875 3.817 0.058 1
1 217 . 3 1 1 A 27 27 THR CB C 27 67.995 68.467 -0.472 1
1 223 . 3 1 1 A 27 27 THR C C 27 176.325 176.040 0.285 1
1 224 . 3 1 1 A 28 28 LEU N N 28 123.865 120.483 3.382 1
1 225 . 3 1 1 A 28 28 LEU H H 28 7.075 7.525 -0.450 1
1 226 . 3 1 1 A 28 28 LEU CA C 28 58.313 57.843 0.470 1
1 227 . 3 1 1 A 28 28 LEU HA H 28 3.255 2.782 0.473 1
1 228 . 3 1 1 A 28 28 LEU CB C 28 40.195 41.247 -1.052 1
1 241 . 3 1 1 A 28 28 LEU C C 28 177.531 178.518 -0.987 1
1 242 . 3 1 1 A 29 29 ILE N N 29 119.337 119.848 -0.511 1
1 243 . 3 1 1 A 29 29 ILE H H 29 8.208 7.605 0.603 1
1 244 . 3 1 1 A 29 29 ILE CA C 29 64.671 65.281 -0.610 1
1 245 . 3 1 1 A 29 29 ILE HA H 29 3.738 3.496 0.242 1
1 246 . 3 1 1 A 29 29 ILE CB C 29 37.489 37.639 -0.150 1
1 259 . 3 1 1 A 29 29 ILE C C 29 179.113 177.599 1.514 1
1 260 . 3 1 1 A 30 30 MET N N 30 117.854 118.219 -0.365 1
1 261 . 3 1 1 A 30 30 MET H H 30 7.452 7.991 -0.539 1
1 262 . 3 1 1 A 30 30 MET CA C 30 58.365 58.928 -0.563 1
1 263 . 3 1 1 A 30 30 MET HA H 30 4.111 3.981 0.130 1
1 264 . 3 1 1 A 30 30 MET CB C 30 32.273 32.182 0.091 1
1 274 . 3 1 1 A 30 30 MET C C 30 178.944 178.489 0.455 1
1 275 . 3 1 1 A 31 31 HIS N N 31 120.334 119.931 0.403 1
1 276 . 3 1 1 A 31 31 HIS H H 31 7.948 7.678 0.270 1
1 277 . 3 1 1 A 31 31 HIS CA C 31 59.151 59.336 -0.185 1
1 278 . 3 1 1 A 31 31 HIS HA H 31 4.157 4.205 -0.048 1
1 279 . 3 1 1 A 31 31 HIS CB C 31 28.008 29.643 -1.635 1
1 286 . 3 1 1 A 31 31 HIS C C 31 176.320 177.044 -0.724 1
1 287 . 3 1 1 A 32 32 GLN N N 32 115.623 117.272 -1.649 1
1 288 . 3 1 1 A 32 32 GLN H H 32 8.424 8.483 -0.059 1
1 289 . 3 1 1 A 32 32 GLN CA C 32 59.493 59.184 0.309 1
1 290 . 3 1 1 A 32 32 GLN HA H 32 3.663 3.868 -0.205 1
1 291 . 3 1 1 A 32 32 GLN CB C 32 28.305 28.401 -0.096 1
1 300 . 3 1 1 A 32 32 GLN C C 32 177.429 178.628 -1.199 1
1 301 . 3 1 1 A 33 33 ARG N N 33 117.693 119.625 -1.932 1
1 302 . 3 1 1 A 33 33 ARG H H 33 7.178 7.554 -0.376 1
1 303 . 3 1 1 A 33 33 ARG CA C 33 58.554 58.960 -0.406 1
1 304 . 3 1 1 A 33 33 ARG HA H 33 4.136 4.012 0.124 1
1 305 . 3 1 1 A 33 33 ARG CB C 33 30.111 29.799 0.312 1
1 314 . 3 1 1 A 33 33 ARG C C 33 178.642 178.670 -0.028 1
1 315 . 3 1 1 A 34 34 ILE N N 34 116.231 117.735 -1.504 1
1 316 . 3 1 1 A 34 34 ILE H H 34 7.835 7.984 -0.149 1
1 317 . 3 1 1 A 34 34 ILE CA C 34 63.054 64.170 -1.116 1
1 318 . 3 1 1 A 34 34 ILE HA H 34 3.974 3.745 0.229 1
1 319 . 3 1 1 A 34 34 ILE CB C 34 37.687 37.194 0.493 1
1 332 . 3 1 1 A 34 34 ILE C C 34 177.429 177.517 -0.088 1
1 333 . 3 1 1 A 35 35 HIS N N 35 117.721 119.951 -2.230 1
1 334 . 3 1 1 A 35 35 HIS H H 35 7.202 7.293 -0.091 1
1 335 . 3 1 1 A 35 35 HIS CA C 35 55.257 58.669 -3.412 1
1 336 . 3 1 1 A 35 35 HIS HA H 35 4.853 4.346 0.507 1
1 337 . 3 1 1 A 35 35 HIS CB C 35 28.493 30.086 -1.593 1
1 344 . 3 1 1 A 35 35 HIS C C 35 175.814 176.610 -0.796 1
1 345 . 3 1 1 A 36 36 THR N N 36 111.765 111.176 0.589 1
1 346 . 3 1 1 A 36 36 THR H H 36 7.763 7.443 0.320 1
1 347 . 3 1 1 A 36 36 THR CA C 36 62.569 63.500 -0.931 1
1 348 . 3 1 1 A 36 36 THR HA H 36 4.350 3.970 0.380 1
1 349 . 3 1 1 A 36 36 THR CB C 36 69.804 68.687 1.117 1
1 355 . 3 1 1 A 36 36 THR C C 36 175.474 173.961 1.513 1
1 356 . 3 1 1 A 37 37 GLY N N 37 110.608 113.962 -3.354 1
1 357 . 3 1 1 A 37 37 GLY H H 37 8.218 8.506 -0.288 1
1 358 . 3 1 1 A 37 37 GLY CA C 37 45.399 44.746 0.653 1
1 359 . 3 1 1 A 37 37 GLY HA2 H 37 3.955 4.185 -0.230 1
1 360 . 3 1 1 A 37 37 GLY HA3 H 37 4.026 4.189 -0.163 1
1 361 . 3 1 1 A 37 37 GLY C C 37 174.038 172.168 1.870 1
1 362 . 3 1 1 A 38 38 GLU N N 38 120.485 121.842 -1.357 1
1 363 . 3 1 1 A 38 38 GLU H H 38 8.221 8.529 -0.308 1
1 364 . 3 1 1 A 38 38 GLU CA C 38 56.456 55.486 0.970 1
1 365 . 3 1 1 A 38 38 GLU HA H 38 4.219 4.522 -0.303 1
1 366 . 3 1 1 A 38 38 GLU CB C 38 30.482 28.496 1.986 1
1 371 . 3 1 1 A 38 38 GLU C C 38 176.231 175.269 0.962 1
1 372 . 3 1 1 A 39 39 LYS N N 39 123.785 125.782 -1.997 1
1 373 . 3 1 1 A 39 39 LYS H H 39 8.387 7.816 0.571 1
1 374 . 3 1 1 A 39 39 LYS CA C 39 54.108 53.009 1.099 1
1 375 . 3 1 1 A 39 39 LYS HA H 39 4.607 4.810 -0.203 1
1 376 . 3 1 1 A 39 39 LYS CB C 39 32.499 36.531 -4.032 1
1 388 . 3 1 1 A 39 39 LYS C C 39 174.519 174.208 0.311 1
1 389 . 3 1 1 A 40 40 PRO CA C 40 63.238 62.773 0.465 1
1 390 . 3 1 1 A 40 40 PRO HA H 40 4.463 4.742 -0.279 1
1 391 . 3 1 1 A 40 40 PRO CB C 40 32.180 31.834 0.346 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.453 44.233 1.220 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 4.042 4.078 -0.036 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 4.042 4.078 -0.036 1
1 4 . 4 1 1 A 7 7 GLY C C 7 174.573 173.378 1.195 1
1 5 . 4 1 1 A 8 8 THR N N 8 112.804 112.019 0.785 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.143 8.444 -0.301 1
1 7 . 4 1 1 A 8 8 THR CA C 8 62.075 62.314 -0.239 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.367 4.256 0.111 1
1 9 . 4 1 1 A 8 8 THR CB C 8 69.768 69.809 -0.041 1
1 15 . 4 1 1 A 8 8 THR C C 8 175.337 174.357 0.980 1
1 16 . 4 1 1 A 9 9 GLY N N 9 110.991 108.341 2.650 1
1 17 . 4 1 1 A 9 9 GLY H H 9 8.462 8.357 0.105 1
1 18 . 4 1 1 A 9 9 GLY CA C 9 45.399 45.826 -0.427 1
1 19 . 4 1 1 A 9 9 GLY HA2 H 9 4.023 4.191 -0.168 1
1 20 . 4 1 1 A 9 9 GLY HA3 H 9 3.951 4.197 -0.246 1
1 21 . 4 1 1 A 9 9 GLY C C 9 174.073 172.680 1.393 1
1 22 . 4 1 1 A 10 10 GLU N N 10 120.581 125.097 -4.516 1
1 23 . 4 1 1 A 10 10 GLU H H 10 8.079 8.790 -0.711 1
1 24 . 4 1 1 A 10 10 GLU CA C 10 56.456 56.853 -0.397 1
1 25 . 4 1 1 A 10 10 GLU HA H 10 4.242 4.333 -0.091 1
1 26 . 4 1 1 A 10 10 GLU CB C 10 30.527 30.921 -0.394 1
1 32 . 4 1 1 A 10 10 GLU C C 10 176.271 175.828 0.443 1
1 33 . 4 1 1 A 11 11 ARG N N 11 122.007 125.793 -3.786 1
1 34 . 4 1 1 A 11 11 ARG H H 11 8.340 8.540 -0.200 1
1 35 . 4 1 1 A 11 11 ARG CA C 11 55.538 55.015 0.523 1
1 36 . 4 1 1 A 11 11 ARG HA H 11 4.226 4.224 0.002 1
1 37 . 4 1 1 A 11 11 ARG CB C 11 30.611 28.555 2.056 1
1 46 . 4 1 1 A 11 11 ARG C C 11 174.992 175.033 -0.041 1
1 47 . 4 1 1 A 12 12 HIS N N 12 119.313 119.875 -0.562 1
1 48 . 4 1 1 A 12 12 HIS H H 12 7.928 8.105 -0.177 1
1 49 . 4 1 1 A 12 12 HIS CA C 12 55.443 54.835 0.608 1
1 50 . 4 1 1 A 12 12 HIS HA H 12 4.611 5.260 -0.649 1
1 51 . 4 1 1 A 12 12 HIS CB C 12 31.542 30.310 1.232 1
1 58 . 4 1 1 A 12 12 HIS C C 12 173.859 174.303 -0.444 1
1 59 . 4 1 1 A 13 13 TYR N N 13 120.629 124.128 -3.499 1
1 60 . 4 1 1 A 13 13 TYR H H 13 8.698 8.842 -0.144 1
1 61 . 4 1 1 A 13 13 TYR CA C 13 57.583 57.787 -0.204 1
1 62 . 4 1 1 A 13 13 TYR HA H 13 4.619 4.852 -0.233 1
1 63 . 4 1 1 A 13 13 TYR CB C 13 39.470 38.933 0.537 1
1 74 . 4 1 1 A 13 13 TYR C C 13 174.783 175.567 -0.784 1
1 75 . 4 1 1 A 14 14 GLU N N 14 123.865 125.321 -1.456 1
1 76 . 4 1 1 A 14 14 GLU H H 14 8.733 8.827 -0.094 1
1 77 . 4 1 1 A 14 14 GLU CA C 14 55.094 56.078 -0.984 1
1 78 . 4 1 1 A 14 14 GLU HA H 14 4.934 5.053 -0.119 1
1 79 . 4 1 1 A 14 14 GLU CB C 14 32.824 31.076 1.748 1
1 85 . 4 1 1 A 14 14 GLU C C 14 175.407 176.214 -0.807 1
1 86 . 4 1 1 A 15 15 CYS N N 15 126.550 124.657 1.893 1
1 87 . 4 1 1 A 15 15 CYS H H 15 9.243 8.667 0.576 1
1 88 . 4 1 1 A 15 15 CYS CA C 15 59.494 58.125 1.369 1
1 89 . 4 1 1 A 15 15 CYS HA H 15 4.591 4.803 -0.212 1
1 90 . 4 1 1 A 15 15 CYS CB C 15 29.721 28.967 0.754 1
1 93 . 4 1 1 A 15 15 CYS C C 15 177.448 176.143 1.305 1
1 94 . 4 1 1 A 16 16 SER CA C 16 60.991 61.157 -0.166 1
1 95 . 4 1 1 A 16 16 SER HA H 16 4.281 4.378 -0.097 1
1 96 . 4 1 1 A 16 16 SER CB C 16 63.004 63.016 -0.012 1
1 99 . 4 1 1 A 16 16 SER C C 16 174.576 176.539 -1.963 1
1 100 . 4 1 1 A 17 17 GLU N N 17 122.766 121.320 1.446 1
1 101 . 4 1 1 A 17 17 GLU H H 17 8.641 7.695 0.946 1
1 102 . 4 1 1 A 17 17 GLU CA C 17 58.039 58.893 -0.854 1
1 103 . 4 1 1 A 17 17 GLU HA H 17 4.246 4.050 0.196 1
1 104 . 4 1 1 A 17 17 GLU CB C 17 29.583 29.857 -0.274 1
1 110 . 4 1 1 A 17 17 GLU C C 17 177.145 177.717 -0.572 1
1 111 . 4 1 1 A 18 18 CYS N N 18 114.540 115.934 -1.394 1
1 112 . 4 1 1 A 18 18 CYS H H 18 7.881 8.183 -0.302 1
1 113 . 4 1 1 A 18 18 CYS CA C 18 58.403 59.858 -1.455 1
1 114 . 4 1 1 A 18 18 CYS HA H 18 5.164 4.670 0.494 1
1 115 . 4 1 1 A 18 18 CYS CB C 18 32.532 29.939 2.593 1
1 118 . 4 1 1 A 18 18 CYS C C 18 176.314 175.446 0.868 1
1 119 . 4 1 1 A 19 19 GLY N N 19 113.441 110.120 3.321 1
1 120 . 4 1 1 A 19 19 GLY H H 19 8.210 8.119 0.091 1
1 121 . 4 1 1 A 19 19 GLY CA C 19 46.213 45.048 1.165 1
1 122 . 4 1 1 A 19 19 GLY HA2 H 19 3.866 4.106 -0.240 1
1 123 . 4 1 1 A 19 19 GLY HA3 H 19 4.209 4.125 0.084 1
1 124 . 4 1 1 A 19 19 GLY C C 19 173.754 174.558 -0.804 1
1 125 . 4 1 1 A 20 20 LYS N N 20 122.503 122.419 0.084 1
1 126 . 4 1 1 A 20 20 LYS H H 20 7.874 7.551 0.323 1
1 127 . 4 1 1 A 20 20 LYS CA C 20 57.935 55.723 2.212 1
1 128 . 4 1 1 A 20 20 LYS HA H 20 3.953 4.263 -0.310 1
1 129 . 4 1 1 A 20 20 LYS CB C 20 33.881 33.073 0.808 1
1 141 . 4 1 1 A 20 20 LYS C C 20 173.729 175.931 -2.202 1
1 142 . 4 1 1 A 21 21 ALA N N 21 123.153 128.771 -5.618 1
1 143 . 4 1 1 A 21 21 ALA H H 21 7.808 8.456 -0.648 1
1 144 . 4 1 1 A 21 21 ALA CA C 21 50.379 50.649 -0.270 1
1 145 . 4 1 1 A 21 21 ALA HA H 21 5.019 5.284 -0.265 1
1 146 . 4 1 1 A 21 21 ALA CB C 21 21.933 21.033 0.900 1
1 150 . 4 1 1 A 21 21 ALA C C 21 176.429 176.616 -0.187 1
1 151 . 4 1 1 A 22 22 PHE N N 22 117.263 118.178 -0.915 1
1 152 . 4 1 1 A 22 22 PHE H H 22 8.627 8.748 -0.121 1
1 153 . 4 1 1 A 22 22 PHE CA C 22 57.115 56.822 0.293 1
1 154 . 4 1 1 A 22 22 PHE HA H 22 4.730 4.980 -0.250 1
1 155 . 4 1 1 A 22 22 PHE CB C 22 43.753 43.571 0.182 1
1 168 . 4 1 1 A 22 22 PHE C C 22 175.254 175.749 -0.495 1
1 169 . 4 1 1 A 23 23 ALA CA C 23 53.560 54.254 -0.694 1
1 170 . 4 1 1 A 23 23 ALA HA H 23 4.507 4.445 0.062 1
1 171 . 4 1 1 A 23 23 ALA CB C 23 19.794 19.927 -0.133 1
1 175 . 4 1 1 A 23 23 ALA C C 23 177.450 177.000 0.450 1
1 176 . 4 1 1 A 24 24 ARG N N 24 113.263 116.978 -3.715 1
1 177 . 4 1 1 A 24 24 ARG H H 24 7.468 7.905 -0.437 1
1 178 . 4 1 1 A 24 24 ARG CA C 24 53.899 54.504 -0.605 1
1 179 . 4 1 1 A 24 24 ARG HA H 24 4.741 4.622 0.119 1
1 180 . 4 1 1 A 24 24 ARG CB C 24 33.416 31.869 1.547 1
1 189 . 4 1 1 A 24 24 ARG C C 24 175.564 176.677 -1.113 1
1 190 . 4 1 1 A 25 25 LYS CA C 25 59.220 59.138 0.082 1
1 191 . 4 1 1 A 25 25 LYS HA H 25 3.118 3.236 -0.118 1
1 192 . 4 1 1 A 25 25 LYS CB C 25 31.720 31.804 -0.084 1
1 204 . 4 1 1 A 25 25 LYS C C 25 178.185 177.597 0.588 1
1 205 . 4 1 1 A 26 26 SER N N 26 112.513 113.818 -1.305 1
1 206 . 4 1 1 A 26 26 SER H H 26 8.477 7.788 0.689 1
1 207 . 4 1 1 A 26 26 SER CA C 26 61.122 61.444 -0.322 1
1 208 . 4 1 1 A 26 26 SER HA H 26 3.915 4.033 -0.118 1
1 209 . 4 1 1 A 26 26 SER CB C 26 61.354 63.031 -1.677 1
1 212 . 4 1 1 A 26 26 SER C C 26 177.077 177.349 -0.272 1
1 213 . 4 1 1 A 27 27 THR N N 27 117.989 117.799 0.190 1
1 214 . 4 1 1 A 27 27 THR H H 27 6.929 7.962 -1.033 1
1 215 . 4 1 1 A 27 27 THR CA C 27 65.178 66.923 -1.745 1
1 216 . 4 1 1 A 27 27 THR HA H 27 3.875 3.850 0.025 1
1 217 . 4 1 1 A 27 27 THR CB C 27 67.995 68.526 -0.531 1
1 223 . 4 1 1 A 27 27 THR C C 27 176.325 175.840 0.485 1
1 224 . 4 1 1 A 28 28 LEU N N 28 123.865 120.979 2.886 1
1 225 . 4 1 1 A 28 28 LEU H H 28 7.075 7.711 -0.636 1
1 226 . 4 1 1 A 28 28 LEU CA C 28 58.313 57.553 0.760 1
1 227 . 4 1 1 A 28 28 LEU HA H 28 3.255 3.046 0.209 1
1 228 . 4 1 1 A 28 28 LEU CB C 28 40.195 41.459 -1.264 1
1 241 . 4 1 1 A 28 28 LEU C C 28 177.531 178.498 -0.967 1
1 242 . 4 1 1 A 29 29 ILE N N 29 119.337 119.210 0.127 1
1 243 . 4 1 1 A 29 29 ILE H H 29 8.208 8.001 0.207 1
1 244 . 4 1 1 A 29 29 ILE CA C 29 64.671 64.837 -0.166 1
1 245 . 4 1 1 A 29 29 ILE HA H 29 3.738 3.454 0.284 1
1 246 . 4 1 1 A 29 29 ILE CB C 29 37.489 37.978 -0.489 1
1 259 . 4 1 1 A 29 29 ILE C C 29 179.113 177.912 1.201 1
1 260 . 4 1 1 A 30 30 MET N N 30 117.854 117.890 -0.036 1
1 261 . 4 1 1 A 30 30 MET H H 30 7.452 7.984 -0.532 1
1 262 . 4 1 1 A 30 30 MET CA C 30 58.365 59.177 -0.812 1
1 263 . 4 1 1 A 30 30 MET HA H 30 4.111 4.008 0.103 1
1 264 . 4 1 1 A 30 30 MET CB C 30 32.273 32.253 0.020 1
1 274 . 4 1 1 A 30 30 MET C C 30 178.944 178.507 0.437 1
1 275 . 4 1 1 A 31 31 HIS N N 31 120.334 119.657 0.677 1
1 276 . 4 1 1 A 31 31 HIS H H 31 7.948 7.798 0.150 1
1 277 . 4 1 1 A 31 31 HIS CA C 31 59.151 59.564 -0.413 1
1 278 . 4 1 1 A 31 31 HIS HA H 31 4.157 4.098 0.059 1
1 279 . 4 1 1 A 31 31 HIS CB C 31 28.008 29.815 -1.807 1
1 286 . 4 1 1 A 31 31 HIS C C 31 176.320 176.712 -0.392 1
1 287 . 4 1 1 A 32 32 GLN N N 32 115.623 117.389 -1.766 1
1 288 . 4 1 1 A 32 32 GLN H H 32 8.424 8.363 0.061 1
1 289 . 4 1 1 A 32 32 GLN CA C 32 59.493 59.302 0.191 1
1 290 . 4 1 1 A 32 32 GLN HA H 32 3.663 3.949 -0.286 1
1 291 . 4 1 1 A 32 32 GLN CB C 32 28.305 28.332 -0.027 1
1 300 . 4 1 1 A 32 32 GLN C C 32 177.429 178.583 -1.154 1
1 301 . 4 1 1 A 33 33 ARG N N 33 117.693 119.856 -2.163 1
1 302 . 4 1 1 A 33 33 ARG H H 33 7.178 7.744 -0.566 1
1 303 . 4 1 1 A 33 33 ARG CA C 33 58.554 58.979 -0.425 1
1 304 . 4 1 1 A 33 33 ARG HA H 33 4.136 4.014 0.122 1
1 305 . 4 1 1 A 33 33 ARG CB C 33 30.111 29.889 0.222 1
1 314 . 4 1 1 A 33 33 ARG C C 33 178.642 178.890 -0.248 1
1 315 . 4 1 1 A 34 34 ILE N N 34 116.231 118.040 -1.809 1
1 316 . 4 1 1 A 34 34 ILE H H 34 7.835 8.099 -0.264 1
1 317 . 4 1 1 A 34 34 ILE CA C 34 63.054 64.310 -1.256 1
1 318 . 4 1 1 A 34 34 ILE HA H 34 3.974 3.736 0.238 1
1 319 . 4 1 1 A 34 34 ILE CB C 34 37.687 37.255 0.432 1
1 332 . 4 1 1 A 34 34 ILE C C 34 177.429 177.564 -0.135 1
1 333 . 4 1 1 A 35 35 HIS N N 35 117.721 119.884 -2.163 1
1 334 . 4 1 1 A 35 35 HIS H H 35 7.202 7.409 -0.207 1
1 335 . 4 1 1 A 35 35 HIS CA C 35 55.257 58.585 -3.328 1
1 336 . 4 1 1 A 35 35 HIS HA H 35 4.853 4.405 0.448 1
1 337 . 4 1 1 A 35 35 HIS CB C 35 28.493 30.195 -1.702 1
1 344 . 4 1 1 A 35 35 HIS C C 35 175.814 176.583 -0.769 1
1 345 . 4 1 1 A 36 36 THR N N 36 111.765 112.080 -0.315 1
1 346 . 4 1 1 A 36 36 THR H H 36 7.763 7.533 0.230 1
1 347 . 4 1 1 A 36 36 THR CA C 36 62.569 63.627 -1.058 1
1 348 . 4 1 1 A 36 36 THR HA H 36 4.350 3.975 0.375 1
1 349 . 4 1 1 A 36 36 THR CB C 36 69.804 68.619 1.185 1
1 355 . 4 1 1 A 36 36 THR C C 36 175.474 175.220 0.254 1
1 356 . 4 1 1 A 37 37 GLY N N 37 110.608 115.239 -4.631 1
1 357 . 4 1 1 A 37 37 GLY H H 37 8.218 8.514 -0.296 1
1 358 . 4 1 1 A 37 37 GLY CA C 37 45.399 45.169 0.230 1
1 359 . 4 1 1 A 37 37 GLY HA2 H 37 3.955 4.133 -0.178 1
1 360 . 4 1 1 A 37 37 GLY HA3 H 37 4.026 4.136 -0.110 1
1 361 . 4 1 1 A 37 37 GLY C C 37 174.038 173.543 0.495 1
1 362 . 4 1 1 A 38 38 GLU N N 38 120.485 120.674 -0.189 1
1 363 . 4 1 1 A 38 38 GLU H H 38 8.221 7.869 0.352 1
1 364 . 4 1 1 A 38 38 GLU CA C 38 56.456 55.588 0.868 1
1 365 . 4 1 1 A 38 38 GLU HA H 38 4.219 4.969 -0.750 1
1 366 . 4 1 1 A 38 38 GLU CB C 38 30.482 31.605 -1.123 1
1 371 . 4 1 1 A 38 38 GLU C C 38 176.231 174.734 1.497 1
1 372 . 4 1 1 A 39 39 LYS N N 39 123.785 123.096 0.689 1
1 373 . 4 1 1 A 39 39 LYS H H 39 8.387 8.532 -0.145 1
1 374 . 4 1 1 A 39 39 LYS CA C 39 54.108 54.171 -0.063 1
1 375 . 4 1 1 A 39 39 LYS HA H 39 4.607 4.900 -0.293 1
1 376 . 4 1 1 A 39 39 LYS CB C 39 32.499 35.239 -2.740 1
1 388 . 4 1 1 A 39 39 LYS C C 39 174.519 175.890 -1.371 1
1 389 . 4 1 1 A 40 40 PRO CA C 40 63.238 65.054 -1.816 1
1 390 . 4 1 1 A 40 40 PRO HA H 40 4.463 4.390 0.073 1
1 391 . 4 1 1 A 40 40 PRO CB C 40 32.180 32.006 0.174 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.453 46.239 -0.786 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 4.042 4.067 -0.025 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 4.042 4.091 -0.049 1
1 4 . 5 1 1 A 7 7 GLY C C 7 174.573 174.996 -0.423 1
1 5 . 5 1 1 A 8 8 THR N N 8 112.804 115.043 -2.239 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.143 7.712 0.431 1
1 7 . 5 1 1 A 8 8 THR CA C 8 62.075 64.897 -2.822 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.367 4.135 0.232 1
1 9 . 5 1 1 A 8 8 THR CB C 8 69.768 68.496 1.272 1
1 15 . 5 1 1 A 8 8 THR C C 8 175.337 175.413 -0.076 1
1 16 . 5 1 1 A 9 9 GLY N N 9 110.991 113.944 -2.953 1
1 17 . 5 1 1 A 9 9 GLY H H 9 8.462 8.480 -0.018 1
1 18 . 5 1 1 A 9 9 GLY CA C 9 45.399 46.002 -0.603 1
1 19 . 5 1 1 A 9 9 GLY HA2 H 9 4.023 4.139 -0.116 1
1 20 . 5 1 1 A 9 9 GLY HA3 H 9 3.951 4.141 -0.190 1
1 21 . 5 1 1 A 9 9 GLY C C 9 174.073 173.385 0.688 1
1 22 . 5 1 1 A 10 10 GLU N N 10 120.581 121.938 -1.357 1
1 23 . 5 1 1 A 10 10 GLU H H 10 8.079 8.161 -0.082 1
1 24 . 5 1 1 A 10 10 GLU CA C 10 56.456 54.866 1.590 1
1 25 . 5 1 1 A 10 10 GLU HA H 10 4.242 4.802 -0.560 1
1 26 . 5 1 1 A 10 10 GLU CB C 10 30.527 32.558 -2.031 1
1 32 . 5 1 1 A 10 10 GLU C C 10 176.271 175.295 0.976 1
1 33 . 5 1 1 A 11 11 ARG N N 11 122.007 124.592 -2.585 1
1 34 . 5 1 1 A 11 11 ARG H H 11 8.340 8.759 -0.419 1
1 35 . 5 1 1 A 11 11 ARG CA C 11 55.538 55.360 0.178 1
1 36 . 5 1 1 A 11 11 ARG HA H 11 4.226 4.686 -0.460 1
1 37 . 5 1 1 A 11 11 ARG CB C 11 30.611 30.160 0.451 1
1 46 . 5 1 1 A 11 11 ARG C C 11 174.992 175.557 -0.565 1
1 47 . 5 1 1 A 12 12 HIS N N 12 119.313 118.879 0.434 1
1 48 . 5 1 1 A 12 12 HIS H H 12 7.928 8.302 -0.374 1
1 49 . 5 1 1 A 12 12 HIS CA C 12 55.443 54.559 0.884 1
1 50 . 5 1 1 A 12 12 HIS HA H 12 4.611 5.632 -1.021 1
1 51 . 5 1 1 A 12 12 HIS CB C 12 31.542 31.128 0.414 1
1 58 . 5 1 1 A 12 12 HIS C C 12 173.859 174.171 -0.312 1
1 59 . 5 1 1 A 13 13 TYR N N 13 120.629 123.989 -3.360 1
1 60 . 5 1 1 A 13 13 TYR H H 13 8.698 8.922 -0.224 1
1 61 . 5 1 1 A 13 13 TYR CA C 13 57.583 57.458 0.125 1
1 62 . 5 1 1 A 13 13 TYR HA H 13 4.619 4.868 -0.249 1
1 63 . 5 1 1 A 13 13 TYR CB C 13 39.470 39.938 -0.468 1
1 74 . 5 1 1 A 13 13 TYR C C 13 174.783 175.301 -0.518 1
1 75 . 5 1 1 A 14 14 GLU N N 14 123.865 124.994 -1.129 1
1 76 . 5 1 1 A 14 14 GLU H H 14 8.733 8.887 -0.154 1
1 77 . 5 1 1 A 14 14 GLU CA C 14 55.094 54.918 0.176 1
1 78 . 5 1 1 A 14 14 GLU HA H 14 4.934 5.438 -0.504 1
1 79 . 5 1 1 A 14 14 GLU CB C 14 32.824 31.669 1.155 1
1 85 . 5 1 1 A 14 14 GLU C C 14 175.407 175.708 -0.301 1
1 86 . 5 1 1 A 15 15 CYS N N 15 126.550 124.334 2.216 1
1 87 . 5 1 1 A 15 15 CYS H H 15 9.243 8.670 0.573 1
1 88 . 5 1 1 A 15 15 CYS CA C 15 59.494 58.073 1.421 1
1 89 . 5 1 1 A 15 15 CYS HA H 15 4.591 4.858 -0.267 1
1 90 . 5 1 1 A 15 15 CYS CB C 15 29.721 29.265 0.456 1
1 93 . 5 1 1 A 15 15 CYS C C 15 177.448 175.857 1.591 1
1 94 . 5 1 1 A 16 16 SER CA C 16 60.991 60.359 0.632 1
1 95 . 5 1 1 A 16 16 SER HA H 16 4.281 4.301 -0.020 1
1 96 . 5 1 1 A 16 16 SER CB C 16 63.004 62.857 0.147 1
1 99 . 5 1 1 A 16 16 SER C C 16 174.576 175.718 -1.142 1
1 100 . 5 1 1 A 17 17 GLU N N 17 122.766 121.176 1.590 1
1 101 . 5 1 1 A 17 17 GLU H H 17 8.641 7.759 0.882 1
1 102 . 5 1 1 A 17 17 GLU CA C 17 58.039 58.751 -0.712 1
1 103 . 5 1 1 A 17 17 GLU HA H 17 4.246 4.042 0.204 1
1 104 . 5 1 1 A 17 17 GLU CB C 17 29.583 29.756 -0.173 1
1 110 . 5 1 1 A 17 17 GLU C C 17 177.145 177.796 -0.651 1
1 111 . 5 1 1 A 18 18 CYS N N 18 114.540 115.905 -1.365 1
1 112 . 5 1 1 A 18 18 CYS H H 18 7.881 8.136 -0.255 1
1 113 . 5 1 1 A 18 18 CYS CA C 18 58.403 59.706 -1.303 1
1 114 . 5 1 1 A 18 18 CYS HA H 18 5.164 4.657 0.507 1
1 115 . 5 1 1 A 18 18 CYS CB C 18 32.532 29.755 2.777 1
1 118 . 5 1 1 A 18 18 CYS C C 18 176.314 175.254 1.060 1
1 119 . 5 1 1 A 19 19 GLY N N 19 113.441 110.167 3.274 1
1 120 . 5 1 1 A 19 19 GLY H H 19 8.210 8.100 0.110 1
1 121 . 5 1 1 A 19 19 GLY CA C 19 46.213 45.094 1.119 1
1 122 . 5 1 1 A 19 19 GLY HA2 H 19 3.866 4.089 -0.223 1
1 123 . 5 1 1 A 19 19 GLY HA3 H 19 4.209 4.106 0.103 1
1 124 . 5 1 1 A 19 19 GLY C C 19 173.754 174.420 -0.666 1
1 125 . 5 1 1 A 20 20 LYS N N 20 122.503 120.188 2.315 1
1 126 . 5 1 1 A 20 20 LYS H H 20 7.874 7.234 0.640 1
1 127 . 5 1 1 A 20 20 LYS CA C 20 57.935 56.190 1.745 1
1 128 . 5 1 1 A 20 20 LYS HA H 20 3.953 4.152 -0.199 1
1 129 . 5 1 1 A 20 20 LYS CB C 20 33.881 32.245 1.636 1
1 141 . 5 1 1 A 20 20 LYS C C 20 173.729 175.611 -1.882 1
1 142 . 5 1 1 A 21 21 ALA N N 21 123.153 128.313 -5.160 1
1 143 . 5 1 1 A 21 21 ALA H H 21 7.808 8.517 -0.709 1
1 144 . 5 1 1 A 21 21 ALA CA C 21 50.379 50.745 -0.366 1
1 145 . 5 1 1 A 21 21 ALA HA H 21 5.019 5.164 -0.145 1
1 146 . 5 1 1 A 21 21 ALA CB C 21 21.933 20.530 1.403 1
1 150 . 5 1 1 A 21 21 ALA C C 21 176.429 176.685 -0.256 1
1 151 . 5 1 1 A 22 22 PHE N N 22 117.263 119.835 -2.572 1
1 152 . 5 1 1 A 22 22 PHE H H 22 8.627 9.564 -0.937 1
1 153 . 5 1 1 A 22 22 PHE CA C 22 57.115 57.078 0.037 1
1 154 . 5 1 1 A 22 22 PHE HA H 22 4.730 5.066 -0.336 1
1 155 . 5 1 1 A 22 22 PHE CB C 22 43.753 42.742 1.011 1
1 168 . 5 1 1 A 22 22 PHE C C 22 175.254 175.957 -0.703 1
1 169 . 5 1 1 A 23 23 ALA CA C 23 53.560 54.180 -0.620 1
1 170 . 5 1 1 A 23 23 ALA HA H 23 4.507 4.463 0.044 1
1 171 . 5 1 1 A 23 23 ALA CB C 23 19.794 20.031 -0.237 1
1 175 . 5 1 1 A 23 23 ALA C C 23 177.450 177.400 0.050 1
1 176 . 5 1 1 A 24 24 ARG N N 24 113.263 117.338 -4.075 1
1 177 . 5 1 1 A 24 24 ARG H H 24 7.468 7.889 -0.421 1
1 178 . 5 1 1 A 24 24 ARG CA C 24 53.899 54.576 -0.677 1
1 179 . 5 1 1 A 24 24 ARG HA H 24 4.741 4.710 0.031 1
1 180 . 5 1 1 A 24 24 ARG CB C 24 33.416 31.807 1.609 1
1 189 . 5 1 1 A 24 24 ARG C C 24 175.564 176.540 -0.976 1
1 190 . 5 1 1 A 25 25 LYS CA C 25 59.220 59.175 0.045 1
1 191 . 5 1 1 A 25 25 LYS HA H 25 3.118 3.314 -0.196 1
1 192 . 5 1 1 A 25 25 LYS CB C 25 31.720 31.603 0.117 1
1 204 . 5 1 1 A 25 25 LYS C C 25 178.185 177.939 0.246 1
1 205 . 5 1 1 A 26 26 SER N N 26 112.513 115.117 -2.604 1
1 206 . 5 1 1 A 26 26 SER H H 26 8.477 8.372 0.105 1
1 207 . 5 1 1 A 26 26 SER CA C 26 61.122 61.487 -0.365 1
1 208 . 5 1 1 A 26 26 SER HA H 26 3.915 4.114 -0.199 1
1 209 . 5 1 1 A 26 26 SER CB C 26 61.354 62.160 -0.806 1
1 212 . 5 1 1 A 26 26 SER C C 26 177.077 176.921 0.156 1
1 213 . 5 1 1 A 27 27 THR N N 27 117.989 117.269 0.720 1
1 214 . 5 1 1 A 27 27 THR H H 27 6.929 7.865 -0.936 1
1 215 . 5 1 1 A 27 27 THR CA C 27 65.178 67.278 -2.100 1
1 216 . 5 1 1 A 27 27 THR HA H 27 3.875 3.857 0.018 1
1 217 . 5 1 1 A 27 27 THR CB C 27 67.995 68.608 -0.613 1
1 223 . 5 1 1 A 27 27 THR C C 27 176.325 176.052 0.273 1
1 224 . 5 1 1 A 28 28 LEU N N 28 123.865 120.629 3.236 1
1 225 . 5 1 1 A 28 28 LEU H H 28 7.075 7.353 -0.278 1
1 226 . 5 1 1 A 28 28 LEU CA C 28 58.313 57.792 0.521 1
1 227 . 5 1 1 A 28 28 LEU HA H 28 3.255 2.733 0.522 1
1 228 . 5 1 1 A 28 28 LEU CB C 28 40.195 41.328 -1.133 1
1 241 . 5 1 1 A 28 28 LEU C C 28 177.531 178.354 -0.823 1
1 242 . 5 1 1 A 29 29 ILE N N 29 119.337 119.889 -0.552 1
1 243 . 5 1 1 A 29 29 ILE H H 29 8.208 7.549 0.659 1
1 244 . 5 1 1 A 29 29 ILE CA C 29 64.671 65.321 -0.650 1
1 245 . 5 1 1 A 29 29 ILE HA H 29 3.738 3.800 -0.062 1
1 246 . 5 1 1 A 29 29 ILE CB C 29 37.489 37.558 -0.069 1
1 259 . 5 1 1 A 29 29 ILE C C 29 179.113 177.701 1.412 1
1 260 . 5 1 1 A 30 30 MET N N 30 117.854 118.123 -0.269 1
1 261 . 5 1 1 A 30 30 MET H H 30 7.452 8.037 -0.585 1
1 262 . 5 1 1 A 30 30 MET CA C 30 58.365 58.716 -0.351 1
1 263 . 5 1 1 A 30 30 MET HA H 30 4.111 4.011 0.100 1
1 264 . 5 1 1 A 30 30 MET CB C 30 32.273 32.078 0.195 1
1 274 . 5 1 1 A 30 30 MET C C 30 178.944 178.403 0.541 1
1 275 . 5 1 1 A 31 31 HIS N N 31 120.334 120.031 0.303 1
1 276 . 5 1 1 A 31 31 HIS H H 31 7.948 7.577 0.371 1
1 277 . 5 1 1 A 31 31 HIS CA C 31 59.151 59.035 0.116 1
1 278 . 5 1 1 A 31 31 HIS HA H 31 4.157 4.228 -0.071 1
1 279 . 5 1 1 A 31 31 HIS CB C 31 28.008 29.791 -1.783 1
1 286 . 5 1 1 A 31 31 HIS C C 31 176.320 177.417 -1.097 1
1 287 . 5 1 1 A 32 32 GLN N N 32 115.623 117.393 -1.770 1
1 288 . 5 1 1 A 32 32 GLN H H 32 8.424 8.385 0.039 1
1 289 . 5 1 1 A 32 32 GLN CA C 32 59.493 59.123 0.370 1
1 290 . 5 1 1 A 32 32 GLN HA H 32 3.663 3.897 -0.234 1
1 291 . 5 1 1 A 32 32 GLN CB C 32 28.305 28.389 -0.084 1
1 300 . 5 1 1 A 32 32 GLN C C 32 177.429 178.506 -1.077 1
1 301 . 5 1 1 A 33 33 ARG N N 33 117.693 119.888 -2.195 1
1 302 . 5 1 1 A 33 33 ARG H H 33 7.178 7.545 -0.367 1
1 303 . 5 1 1 A 33 33 ARG CA C 33 58.554 58.912 -0.358 1
1 304 . 5 1 1 A 33 33 ARG HA H 33 4.136 4.042 0.094 1
1 305 . 5 1 1 A 33 33 ARG CB C 33 30.111 29.870 0.241 1
1 314 . 5 1 1 A 33 33 ARG C C 33 178.642 178.665 -0.023 1
1 315 . 5 1 1 A 34 34 ILE N N 34 116.231 118.320 -2.089 1
1 316 . 5 1 1 A 34 34 ILE H H 34 7.835 7.888 -0.053 1
1 317 . 5 1 1 A 34 34 ILE CA C 34 63.054 64.205 -1.151 1
1 318 . 5 1 1 A 34 34 ILE HA H 34 3.974 3.755 0.219 1
1 319 . 5 1 1 A 34 34 ILE CB C 34 37.687 37.257 0.430 1
1 332 . 5 1 1 A 34 34 ILE C C 34 177.429 177.692 -0.263 1
1 333 . 5 1 1 A 35 35 HIS N N 35 117.721 120.878 -3.157 1
1 334 . 5 1 1 A 35 35 HIS H H 35 7.202 7.654 -0.452 1
1 335 . 5 1 1 A 35 35 HIS CA C 35 55.257 59.060 -3.803 1
1 336 . 5 1 1 A 35 35 HIS HA H 35 4.853 4.328 0.525 1
1 337 . 5 1 1 A 35 35 HIS CB C 35 28.493 29.933 -1.440 1
1 344 . 5 1 1 A 35 35 HIS C C 35 175.814 177.646 -1.832 1
1 345 . 5 1 1 A 36 36 THR N N 36 111.765 112.477 -0.712 1
1 346 . 5 1 1 A 36 36 THR H H 36 7.763 7.669 0.094 1
1 347 . 5 1 1 A 36 36 THR CA C 36 62.569 64.839 -2.270 1
1 348 . 5 1 1 A 36 36 THR HA H 36 4.350 3.936 0.414 1
1 349 . 5 1 1 A 36 36 THR CB C 36 69.804 69.561 0.243 1
1 355 . 5 1 1 A 36 36 THR C C 36 175.474 174.857 0.617 1
1 356 . 5 1 1 A 37 37 GLY N N 37 110.608 108.104 2.504 1
1 357 . 5 1 1 A 37 37 GLY H H 37 8.218 7.986 0.232 1
1 358 . 5 1 1 A 37 37 GLY CA C 37 45.399 44.867 0.532 1
1 359 . 5 1 1 A 37 37 GLY HA2 H 37 3.955 4.106 -0.151 1
1 360 . 5 1 1 A 37 37 GLY HA3 H 37 4.026 4.117 -0.091 1
1 361 . 5 1 1 A 37 37 GLY C C 37 174.038 172.716 1.322 1
1 362 . 5 1 1 A 38 38 GLU N N 38 120.485 122.524 -2.039 1
1 363 . 5 1 1 A 38 38 GLU H H 38 8.221 8.492 -0.271 1
1 364 . 5 1 1 A 38 38 GLU CA C 38 56.456 54.403 2.053 1
1 365 . 5 1 1 A 38 38 GLU HA H 38 4.219 5.132 -0.913 1
1 366 . 5 1 1 A 38 38 GLU CB C 38 30.482 33.773 -3.291 1
1 371 . 5 1 1 A 38 38 GLU C C 38 176.231 175.719 0.512 1
1 372 . 5 1 1 A 39 39 LYS N N 39 123.785 121.666 2.119 1
1 373 . 5 1 1 A 39 39 LYS H H 39 8.387 8.459 -0.072 1
1 374 . 5 1 1 A 39 39 LYS CA C 39 54.108 55.247 -1.139 1
1 375 . 5 1 1 A 39 39 LYS HA H 39 4.607 4.292 0.315 1
1 376 . 5 1 1 A 39 39 LYS CB C 39 32.499 32.025 0.474 1
1 388 . 5 1 1 A 39 39 LYS C C 39 174.519 176.635 -2.116 1
1 389 . 5 1 1 A 40 40 PRO CA C 40 63.238 64.360 -1.122 1
1 390 . 5 1 1 A 40 40 PRO HA H 40 4.463 4.466 -0.003 1
1 391 . 5 1 1 A 40 40 PRO CB C 40 32.180 31.686 0.494 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.453 45.859 -0.406 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 4.042 4.042 0.000 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 4.042 4.043 -0.001 1
1 4 . 6 1 1 A 7 7 GLY C C 7 174.573 175.529 -0.956 1
1 5 . 6 1 1 A 8 8 THR N N 8 112.804 117.762 -4.958 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.143 8.703 -0.560 1
1 7 . 6 1 1 A 8 8 THR CA C 8 62.075 64.591 -2.516 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.367 4.090 0.277 1
1 9 . 6 1 1 A 8 8 THR CB C 8 69.768 70.275 -0.507 1
1 15 . 6 1 1 A 8 8 THR C C 8 175.337 174.667 0.670 1
1 16 . 6 1 1 A 9 9 GLY N N 9 110.991 107.734 3.257 1
1 17 . 6 1 1 A 9 9 GLY H H 9 8.462 7.424 1.038 1
1 18 . 6 1 1 A 9 9 GLY CA C 9 45.399 45.490 -0.091 1
1 19 . 6 1 1 A 9 9 GLY HA2 H 9 4.023 4.141 -0.118 1
1 20 . 6 1 1 A 9 9 GLY HA3 H 9 3.951 4.156 -0.205 1
1 21 . 6 1 1 A 9 9 GLY C C 9 174.073 171.324 2.749 1
1 22 . 6 1 1 A 10 10 GLU N N 10 120.581 122.445 -1.864 1
1 23 . 6 1 1 A 10 10 GLU H H 10 8.079 8.597 -0.518 1
1 24 . 6 1 1 A 10 10 GLU CA C 10 56.456 54.834 1.622 1
1 25 . 6 1 1 A 10 10 GLU HA H 10 4.242 5.067 -0.825 1
1 26 . 6 1 1 A 10 10 GLU CB C 10 30.527 32.999 -2.472 1
1 32 . 6 1 1 A 10 10 GLU C C 10 176.271 176.382 -0.111 1
1 33 . 6 1 1 A 11 11 ARG N N 11 122.007 123.082 -1.075 1
1 34 . 6 1 1 A 11 11 ARG H H 11 8.340 8.690 -0.350 1
1 35 . 6 1 1 A 11 11 ARG CA C 11 55.538 55.865 -0.327 1
1 36 . 6 1 1 A 11 11 ARG HA H 11 4.226 4.271 -0.045 1
1 37 . 6 1 1 A 11 11 ARG CB C 11 30.611 29.925 0.686 1
1 46 . 6 1 1 A 11 11 ARG C C 11 174.992 175.392 -0.400 1
1 47 . 6 1 1 A 12 12 HIS N N 12 119.313 117.380 1.933 1
1 48 . 6 1 1 A 12 12 HIS H H 12 7.928 7.634 0.294 1
1 49 . 6 1 1 A 12 12 HIS CA C 12 55.443 55.847 -0.404 1
1 50 . 6 1 1 A 12 12 HIS HA H 12 4.611 5.163 -0.552 1
1 51 . 6 1 1 A 12 12 HIS CB C 12 31.542 30.080 1.462 1
1 58 . 6 1 1 A 12 12 HIS C C 12 173.859 174.723 -0.864 1
1 59 . 6 1 1 A 13 13 TYR N N 13 120.629 123.645 -3.016 1
1 60 . 6 1 1 A 13 13 TYR H H 13 8.698 8.897 -0.199 1
1 61 . 6 1 1 A 13 13 TYR CA C 13 57.583 57.978 -0.395 1
1 62 . 6 1 1 A 13 13 TYR HA H 13 4.619 4.841 -0.222 1
1 63 . 6 1 1 A 13 13 TYR CB C 13 39.470 39.714 -0.244 1
1 74 . 6 1 1 A 13 13 TYR C C 13 174.783 175.593 -0.810 1
1 75 . 6 1 1 A 14 14 GLU N N 14 123.865 125.259 -1.394 1
1 76 . 6 1 1 A 14 14 GLU H H 14 8.733 8.775 -0.042 1
1 77 . 6 1 1 A 14 14 GLU CA C 14 55.094 55.343 -0.249 1
1 78 . 6 1 1 A 14 14 GLU HA H 14 4.934 5.313 -0.379 1
1 79 . 6 1 1 A 14 14 GLU CB C 14 32.824 31.273 1.551 1
1 85 . 6 1 1 A 14 14 GLU C C 14 175.407 175.748 -0.341 1
1 86 . 6 1 1 A 15 15 CYS N N 15 126.550 124.351 2.199 1
1 87 . 6 1 1 A 15 15 CYS H H 15 9.243 8.659 0.584 1
1 88 . 6 1 1 A 15 15 CYS CA C 15 59.494 57.917 1.577 1
1 89 . 6 1 1 A 15 15 CYS HA H 15 4.591 4.868 -0.277 1
1 90 . 6 1 1 A 15 15 CYS CB C 15 29.721 29.539 0.182 1
1 93 . 6 1 1 A 15 15 CYS C C 15 177.448 175.781 1.667 1
1 94 . 6 1 1 A 16 16 SER CA C 16 60.991 60.910 0.081 1
1 95 . 6 1 1 A 16 16 SER HA H 16 4.281 4.145 0.136 1
1 96 . 6 1 1 A 16 16 SER CB C 16 63.004 62.699 0.305 1
1 99 . 6 1 1 A 16 16 SER C C 16 174.576 175.931 -1.355 1
1 100 . 6 1 1 A 17 17 GLU N N 17 122.766 121.392 1.374 1
1 101 . 6 1 1 A 17 17 GLU H H 17 8.641 7.691 0.950 1
1 102 . 6 1 1 A 17 17 GLU CA C 17 58.039 58.844 -0.805 1
1 103 . 6 1 1 A 17 17 GLU HA H 17 4.246 4.040 0.206 1
1 104 . 6 1 1 A 17 17 GLU CB C 17 29.583 29.892 -0.309 1
1 110 . 6 1 1 A 17 17 GLU C C 17 177.145 177.788 -0.643 1
1 111 . 6 1 1 A 18 18 CYS N N 18 114.540 115.839 -1.299 1
1 112 . 6 1 1 A 18 18 CYS H H 18 7.881 8.061 -0.180 1
1 113 . 6 1 1 A 18 18 CYS CA C 18 58.403 59.675 -1.272 1
1 114 . 6 1 1 A 18 18 CYS HA H 18 5.164 4.601 0.563 1
1 115 . 6 1 1 A 18 18 CYS CB C 18 32.532 29.635 2.897 1
1 118 . 6 1 1 A 18 18 CYS C C 18 176.314 175.253 1.061 1
1 119 . 6 1 1 A 19 19 GLY N N 19 113.441 110.362 3.079 1
1 120 . 6 1 1 A 19 19 GLY H H 19 8.210 7.983 0.227 1
1 121 . 6 1 1 A 19 19 GLY CA C 19 46.213 45.128 1.085 1
1 122 . 6 1 1 A 19 19 GLY HA2 H 19 3.866 4.080 -0.214 1
1 123 . 6 1 1 A 19 19 GLY HA3 H 19 4.209 4.099 0.110 1
1 124 . 6 1 1 A 19 19 GLY C C 19 173.754 174.477 -0.723 1
1 125 . 6 1 1 A 20 20 LYS N N 20 122.503 122.429 0.074 1
1 126 . 6 1 1 A 20 20 LYS H H 20 7.874 7.630 0.244 1
1 127 . 6 1 1 A 20 20 LYS CA C 20 57.935 55.639 2.296 1
1 128 . 6 1 1 A 20 20 LYS HA H 20 3.953 4.313 -0.360 1
1 129 . 6 1 1 A 20 20 LYS CB C 20 33.881 33.418 0.463 1
1 141 . 6 1 1 A 20 20 LYS C C 20 173.729 175.956 -2.227 1
1 142 . 6 1 1 A 21 21 ALA N N 21 123.153 128.798 -5.645 1
1 143 . 6 1 1 A 21 21 ALA H H 21 7.808 8.482 -0.674 1
1 144 . 6 1 1 A 21 21 ALA CA C 21 50.379 50.995 -0.616 1
1 145 . 6 1 1 A 21 21 ALA HA H 21 5.019 5.533 -0.514 1
1 146 . 6 1 1 A 21 21 ALA CB C 21 21.933 21.187 0.746 1
1 150 . 6 1 1 A 21 21 ALA C C 21 176.429 176.640 -0.211 1
1 151 . 6 1 1 A 22 22 PHE N N 22 117.263 118.326 -1.063 1
1 152 . 6 1 1 A 22 22 PHE H H 22 8.627 9.071 -0.444 1
1 153 . 6 1 1 A 22 22 PHE CA C 22 57.115 56.811 0.304 1
1 154 . 6 1 1 A 22 22 PHE HA H 22 4.730 4.951 -0.221 1
1 155 . 6 1 1 A 22 22 PHE CB C 22 43.753 43.460 0.293 1
1 168 . 6 1 1 A 22 22 PHE C C 22 175.254 175.722 -0.468 1
1 169 . 6 1 1 A 23 23 ALA CA C 23 53.560 54.542 -0.982 1
1 170 . 6 1 1 A 23 23 ALA HA H 23 4.507 4.413 0.094 1
1 171 . 6 1 1 A 23 23 ALA CB C 23 19.794 19.945 -0.151 1
1 175 . 6 1 1 A 23 23 ALA C C 23 177.450 177.629 -0.179 1
1 176 . 6 1 1 A 24 24 ARG N N 24 113.263 117.442 -4.179 1
1 177 . 6 1 1 A 24 24 ARG H H 24 7.468 7.896 -0.428 1
1 178 . 6 1 1 A 24 24 ARG CA C 24 53.899 54.342 -0.443 1
1 179 . 6 1 1 A 24 24 ARG HA H 24 4.741 4.709 0.032 1
1 180 . 6 1 1 A 24 24 ARG CB C 24 33.416 32.384 1.032 1
1 189 . 6 1 1 A 24 24 ARG C C 24 175.564 176.768 -1.204 1
1 190 . 6 1 1 A 25 25 LYS CA C 25 59.220 58.733 0.487 1
1 191 . 6 1 1 A 25 25 LYS HA H 25 3.118 3.336 -0.218 1
1 192 . 6 1 1 A 25 25 LYS CB C 25 31.720 32.054 -0.334 1
1 204 . 6 1 1 A 25 25 LYS C C 25 178.185 177.815 0.370 1
1 205 . 6 1 1 A 26 26 SER N N 26 112.513 114.632 -2.119 1
1 206 . 6 1 1 A 26 26 SER H H 26 8.477 7.796 0.681 1
1 207 . 6 1 1 A 26 26 SER CA C 26 61.122 61.391 -0.269 1
1 208 . 6 1 1 A 26 26 SER HA H 26 3.915 4.054 -0.139 1
1 209 . 6 1 1 A 26 26 SER CB C 26 61.354 63.225 -1.871 1
1 212 . 6 1 1 A 26 26 SER C C 26 177.077 176.998 0.079 1
1 213 . 6 1 1 A 27 27 THR N N 27 117.989 115.948 2.041 1
1 214 . 6 1 1 A 27 27 THR H H 27 6.929 8.140 -1.211 1
1 215 . 6 1 1 A 27 27 THR CA C 27 65.178 66.944 -1.766 1
1 216 . 6 1 1 A 27 27 THR HA H 27 3.875 3.831 0.044 1
1 217 . 6 1 1 A 27 27 THR CB C 27 67.995 68.501 -0.506 1
1 223 . 6 1 1 A 27 27 THR C C 27 176.325 175.775 0.550 1
1 224 . 6 1 1 A 28 28 LEU N N 28 123.865 120.506 3.359 1
1 225 . 6 1 1 A 28 28 LEU H H 28 7.075 7.783 -0.708 1
1 226 . 6 1 1 A 28 28 LEU CA C 28 58.313 57.730 0.583 1
1 227 . 6 1 1 A 28 28 LEU HA H 28 3.255 2.860 0.395 1
1 228 . 6 1 1 A 28 28 LEU CB C 28 40.195 41.258 -1.063 1
1 241 . 6 1 1 A 28 28 LEU C C 28 177.531 178.488 -0.957 1
1 242 . 6 1 1 A 29 29 ILE N N 29 119.337 119.953 -0.616 1
1 243 . 6 1 1 A 29 29 ILE H H 29 8.208 8.150 0.058 1
1 244 . 6 1 1 A 29 29 ILE CA C 29 64.671 64.952 -0.281 1
1 245 . 6 1 1 A 29 29 ILE HA H 29 3.738 3.548 0.190 1
1 246 . 6 1 1 A 29 29 ILE CB C 29 37.489 37.696 -0.207 1
1 259 . 6 1 1 A 29 29 ILE C C 29 179.113 177.796 1.317 1
1 260 . 6 1 1 A 30 30 MET N N 30 117.854 117.869 -0.015 1
1 261 . 6 1 1 A 30 30 MET H H 30 7.452 7.970 -0.518 1
1 262 . 6 1 1 A 30 30 MET CA C 30 58.365 58.852 -0.487 1
1 263 . 6 1 1 A 30 30 MET HA H 30 4.111 4.009 0.102 1
1 264 . 6 1 1 A 30 30 MET CB C 30 32.273 32.251 0.022 1
1 274 . 6 1 1 A 30 30 MET C C 30 178.944 178.475 0.469 1
1 275 . 6 1 1 A 31 31 HIS N N 31 120.334 119.888 0.446 1
1 276 . 6 1 1 A 31 31 HIS H H 31 7.948 7.916 0.032 1
1 277 . 6 1 1 A 31 31 HIS CA C 31 59.151 59.531 -0.380 1
1 278 . 6 1 1 A 31 31 HIS HA H 31 4.157 4.213 -0.056 1
1 279 . 6 1 1 A 31 31 HIS CB C 31 28.008 29.449 -1.441 1
1 286 . 6 1 1 A 31 31 HIS C C 31 176.320 177.085 -0.765 1
1 287 . 6 1 1 A 32 32 GLN N N 32 115.623 117.355 -1.732 1
1 288 . 6 1 1 A 32 32 GLN H H 32 8.424 8.406 0.018 1
1 289 . 6 1 1 A 32 32 GLN CA C 32 59.493 58.938 0.555 1
1 290 . 6 1 1 A 32 32 GLN HA H 32 3.663 3.887 -0.224 1
1 291 . 6 1 1 A 32 32 GLN CB C 32 28.305 28.392 -0.087 1
1 300 . 6 1 1 A 32 32 GLN C C 32 177.429 178.310 -0.881 1
1 301 . 6 1 1 A 33 33 ARG N N 33 117.693 119.910 -2.217 1
1 302 . 6 1 1 A 33 33 ARG H H 33 7.178 7.952 -0.774 1
1 303 . 6 1 1 A 33 33 ARG CA C 33 58.554 59.016 -0.462 1
1 304 . 6 1 1 A 33 33 ARG HA H 33 4.136 4.093 0.043 1
1 305 . 6 1 1 A 33 33 ARG CB C 33 30.111 29.709 0.402 1
1 314 . 6 1 1 A 33 33 ARG C C 33 178.642 179.075 -0.433 1
1 315 . 6 1 1 A 34 34 ILE N N 34 116.231 117.938 -1.707 1
1 316 . 6 1 1 A 34 34 ILE H H 34 7.835 7.935 -0.100 1
1 317 . 6 1 1 A 34 34 ILE CA C 34 63.054 64.197 -1.143 1
1 318 . 6 1 1 A 34 34 ILE HA H 34 3.974 3.703 0.271 1
1 319 . 6 1 1 A 34 34 ILE CB C 34 37.687 37.225 0.462 1
1 332 . 6 1 1 A 34 34 ILE C C 34 177.429 177.601 -0.172 1
1 333 . 6 1 1 A 35 35 HIS N N 35 117.721 121.087 -3.366 1
1 334 . 6 1 1 A 35 35 HIS H H 35 7.202 7.443 -0.241 1
1 335 . 6 1 1 A 35 35 HIS CA C 35 55.257 59.019 -3.762 1
1 336 . 6 1 1 A 35 35 HIS HA H 35 4.853 4.371 0.482 1
1 337 . 6 1 1 A 35 35 HIS CB C 35 28.493 29.918 -1.425 1
1 344 . 6 1 1 A 35 35 HIS C C 35 175.814 177.671 -1.857 1
1 345 . 6 1 1 A 36 36 THR N N 36 111.765 112.660 -0.895 1
1 346 . 6 1 1 A 36 36 THR H H 36 7.763 7.908 -0.145 1
1 347 . 6 1 1 A 36 36 THR CA C 36 62.569 65.466 -2.897 1
1 348 . 6 1 1 A 36 36 THR HA H 36 4.350 3.986 0.364 1
1 349 . 6 1 1 A 36 36 THR CB C 36 69.804 68.672 1.132 1
1 355 . 6 1 1 A 36 36 THR C C 36 175.474 176.250 -0.776 1
1 356 . 6 1 1 A 37 37 GLY N N 37 110.608 107.934 2.674 1
1 357 . 6 1 1 A 37 37 GLY H H 37 8.218 8.538 -0.320 1
1 358 . 6 1 1 A 37 37 GLY CA C 37 45.399 47.385 -1.986 1
1 359 . 6 1 1 A 37 37 GLY HA2 H 37 3.955 3.726 0.229 1
1 360 . 6 1 1 A 37 37 GLY HA3 H 37 4.026 3.733 0.293 1
1 361 . 6 1 1 A 37 37 GLY C C 37 174.038 174.657 -0.619 1
1 362 . 6 1 1 A 38 38 GLU N N 38 120.485 116.846 3.639 1
1 363 . 6 1 1 A 38 38 GLU H H 38 8.221 7.905 0.316 1
1 364 . 6 1 1 A 38 38 GLU CA C 38 56.456 55.951 0.505 1
1 365 . 6 1 1 A 38 38 GLU HA H 38 4.219 4.410 -0.191 1
1 366 . 6 1 1 A 38 38 GLU CB C 38 30.482 29.545 0.937 1
1 371 . 6 1 1 A 38 38 GLU C C 38 176.231 176.176 0.055 1
1 372 . 6 1 1 A 39 39 LYS N N 39 123.785 122.334 1.451 1
1 373 . 6 1 1 A 39 39 LYS H H 39 8.387 8.529 -0.142 1
1 374 . 6 1 1 A 39 39 LYS CA C 39 54.108 54.361 -0.253 1
1 375 . 6 1 1 A 39 39 LYS HA H 39 4.607 4.852 -0.245 1
1 376 . 6 1 1 A 39 39 LYS CB C 39 32.499 33.240 -0.741 1
1 388 . 6 1 1 A 39 39 LYS C C 39 174.519 176.341 -1.822 1
1 389 . 6 1 1 A 40 40 PRO CA C 40 63.238 65.503 -2.265 1
1 390 . 6 1 1 A 40 40 PRO HA H 40 4.463 4.358 0.105 1
1 391 . 6 1 1 A 40 40 PRO CB C 40 32.180 31.644 0.536 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.453 46.986 -1.533 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 4.042 3.812 0.230 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 4.042 3.831 0.211 1
1 4 . 7 1 1 A 7 7 GLY C C 7 174.573 173.957 0.616 1
1 5 . 7 1 1 A 8 8 THR N N 8 112.804 112.627 0.177 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.143 7.687 0.456 1
1 7 . 7 1 1 A 8 8 THR CA C 8 62.075 60.655 1.420 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.367 5.004 -0.637 1
1 9 . 7 1 1 A 8 8 THR CB C 8 69.768 72.567 -2.799 1
1 15 . 7 1 1 A 8 8 THR C C 8 175.337 174.126 1.211 1
1 16 . 7 1 1 A 9 9 GLY N N 9 110.991 113.864 -2.873 1
1 17 . 7 1 1 A 9 9 GLY H H 9 8.462 8.543 -0.081 1
1 18 . 7 1 1 A 9 9 GLY CA C 9 45.399 46.626 -1.227 1
1 19 . 7 1 1 A 9 9 GLY HA2 H 9 4.023 3.993 0.030 1
1 20 . 7 1 1 A 9 9 GLY HA3 H 9 3.951 4.001 -0.050 1
1 21 . 7 1 1 A 9 9 GLY C C 9 174.073 174.493 -0.420 1
1 22 . 7 1 1 A 10 10 GLU N N 10 120.581 120.033 0.548 1
1 23 . 7 1 1 A 10 10 GLU H H 10 8.079 7.839 0.240 1
1 24 . 7 1 1 A 10 10 GLU CA C 10 56.456 57.024 -0.568 1
1 25 . 7 1 1 A 10 10 GLU HA H 10 4.242 4.258 -0.016 1
1 26 . 7 1 1 A 10 10 GLU CB C 10 30.527 30.562 -0.035 1
1 32 . 7 1 1 A 10 10 GLU C C 10 176.271 176.477 -0.206 1
1 33 . 7 1 1 A 11 11 ARG N N 11 122.007 125.650 -3.643 1
1 34 . 7 1 1 A 11 11 ARG H H 11 8.340 8.501 -0.161 1
1 35 . 7 1 1 A 11 11 ARG CA C 11 55.538 55.583 -0.045 1
1 36 . 7 1 1 A 11 11 ARG HA H 11 4.226 4.245 -0.019 1
1 37 . 7 1 1 A 11 11 ARG CB C 11 30.611 29.416 1.195 1
1 46 . 7 1 1 A 11 11 ARG C C 11 174.992 175.706 -0.714 1
1 47 . 7 1 1 A 12 12 HIS N N 12 119.313 121.133 -1.820 1
1 48 . 7 1 1 A 12 12 HIS H H 12 7.928 8.255 -0.327 1
1 49 . 7 1 1 A 12 12 HIS CA C 12 55.443 54.603 0.840 1
1 50 . 7 1 1 A 12 12 HIS HA H 12 4.611 5.637 -1.026 1
1 51 . 7 1 1 A 12 12 HIS CB C 12 31.542 30.980 0.562 1
1 58 . 7 1 1 A 12 12 HIS C C 12 173.859 174.188 -0.329 1
1 59 . 7 1 1 A 13 13 TYR N N 13 120.629 124.443 -3.814 1
1 60 . 7 1 1 A 13 13 TYR H H 13 8.698 8.948 -0.250 1
1 61 . 7 1 1 A 13 13 TYR CA C 13 57.583 57.873 -0.290 1
1 62 . 7 1 1 A 13 13 TYR HA H 13 4.619 4.821 -0.202 1
1 63 . 7 1 1 A 13 13 TYR CB C 13 39.470 39.382 0.088 1
1 74 . 7 1 1 A 13 13 TYR C C 13 174.783 175.642 -0.859 1
1 75 . 7 1 1 A 14 14 GLU N N 14 123.865 125.443 -1.578 1
1 76 . 7 1 1 A 14 14 GLU H H 14 8.733 8.835 -0.102 1
1 77 . 7 1 1 A 14 14 GLU CA C 14 55.094 55.763 -0.669 1
1 78 . 7 1 1 A 14 14 GLU HA H 14 4.934 5.192 -0.258 1
1 79 . 7 1 1 A 14 14 GLU CB C 14 32.824 31.076 1.748 1
1 85 . 7 1 1 A 14 14 GLU C C 14 175.407 175.824 -0.417 1
1 86 . 7 1 1 A 15 15 CYS N N 15 126.550 124.314 2.236 1
1 87 . 7 1 1 A 15 15 CYS H H 15 9.243 8.474 0.769 1
1 88 . 7 1 1 A 15 15 CYS CA C 15 59.494 58.069 1.425 1
1 89 . 7 1 1 A 15 15 CYS HA H 15 4.591 4.848 -0.257 1
1 90 . 7 1 1 A 15 15 CYS CB C 15 29.721 29.722 -0.001 1
1 93 . 7 1 1 A 15 15 CYS C C 15 177.448 176.163 1.285 1
1 94 . 7 1 1 A 16 16 SER CA C 16 60.991 61.209 -0.218 1
1 95 . 7 1 1 A 16 16 SER HA H 16 4.281 4.411 -0.130 1
1 96 . 7 1 1 A 16 16 SER CB C 16 63.004 63.021 -0.017 1
1 99 . 7 1 1 A 16 16 SER C C 16 174.576 176.516 -1.940 1
1 100 . 7 1 1 A 17 17 GLU N N 17 122.766 121.346 1.420 1
1 101 . 7 1 1 A 17 17 GLU H H 17 8.641 7.806 0.835 1
1 102 . 7 1 1 A 17 17 GLU CA C 17 58.039 58.880 -0.841 1
1 103 . 7 1 1 A 17 17 GLU HA H 17 4.246 4.047 0.199 1
1 104 . 7 1 1 A 17 17 GLU CB C 17 29.583 29.792 -0.209 1
1 110 . 7 1 1 A 17 17 GLU C C 17 177.145 177.728 -0.583 1
1 111 . 7 1 1 A 18 18 CYS N N 18 114.540 115.910 -1.370 1
1 112 . 7 1 1 A 18 18 CYS H H 18 7.881 8.178 -0.297 1
1 113 . 7 1 1 A 18 18 CYS CA C 18 58.403 59.763 -1.360 1
1 114 . 7 1 1 A 18 18 CYS HA H 18 5.164 4.663 0.501 1
1 115 . 7 1 1 A 18 18 CYS CB C 18 32.532 29.944 2.588 1
1 118 . 7 1 1 A 18 18 CYS C C 18 176.314 175.444 0.870 1
1 119 . 7 1 1 A 19 19 GLY N N 19 113.441 110.125 3.316 1
1 120 . 7 1 1 A 19 19 GLY H H 19 8.210 8.120 0.090 1
1 121 . 7 1 1 A 19 19 GLY CA C 19 46.213 45.043 1.170 1
1 122 . 7 1 1 A 19 19 GLY HA2 H 19 3.866 4.105 -0.239 1
1 123 . 7 1 1 A 19 19 GLY HA3 H 19 4.209 4.122 0.087 1
1 124 . 7 1 1 A 19 19 GLY C C 19 173.754 174.583 -0.829 1
1 125 . 7 1 1 A 20 20 LYS N N 20 122.503 122.565 -0.062 1
1 126 . 7 1 1 A 20 20 LYS H H 20 7.874 7.609 0.265 1
1 127 . 7 1 1 A 20 20 LYS CA C 20 57.935 55.956 1.979 1
1 128 . 7 1 1 A 20 20 LYS HA H 20 3.953 4.177 -0.224 1
1 129 . 7 1 1 A 20 20 LYS CB C 20 33.881 32.712 1.169 1
1 141 . 7 1 1 A 20 20 LYS C C 20 173.729 175.892 -2.163 1
1 142 . 7 1 1 A 21 21 ALA N N 21 123.153 128.939 -5.786 1
1 143 . 7 1 1 A 21 21 ALA H H 21 7.808 8.406 -0.598 1
1 144 . 7 1 1 A 21 21 ALA CA C 21 50.379 50.601 -0.222 1
1 145 . 7 1 1 A 21 21 ALA HA H 21 5.019 5.191 -0.172 1
1 146 . 7 1 1 A 21 21 ALA CB C 21 21.933 20.593 1.340 1
1 150 . 7 1 1 A 21 21 ALA C C 21 176.429 176.680 -0.251 1
1 151 . 7 1 1 A 22 22 PHE N N 22 117.263 119.394 -2.131 1
1 152 . 7 1 1 A 22 22 PHE H H 22 8.627 9.390 -0.763 1
1 153 . 7 1 1 A 22 22 PHE CA C 22 57.115 57.066 0.049 1
1 154 . 7 1 1 A 22 22 PHE HA H 22 4.730 5.042 -0.312 1
1 155 . 7 1 1 A 22 22 PHE CB C 22 43.753 42.910 0.843 1
1 168 . 7 1 1 A 22 22 PHE C C 22 175.254 175.959 -0.705 1
1 169 . 7 1 1 A 23 23 ALA CA C 23 53.560 54.090 -0.530 1
1 170 . 7 1 1 A 23 23 ALA HA H 23 4.507 4.473 0.034 1
1 171 . 7 1 1 A 23 23 ALA CB C 23 19.794 20.280 -0.486 1
1 175 . 7 1 1 A 23 23 ALA C C 23 177.450 177.228 0.222 1
1 176 . 7 1 1 A 24 24 ARG N N 24 113.263 117.296 -4.033 1
1 177 . 7 1 1 A 24 24 ARG H H 24 7.468 7.901 -0.433 1
1 178 . 7 1 1 A 24 24 ARG CA C 24 53.899 54.596 -0.697 1
1 179 . 7 1 1 A 24 24 ARG HA H 24 4.741 4.652 0.089 1
1 180 . 7 1 1 A 24 24 ARG CB C 24 33.416 32.631 0.785 1
1 189 . 7 1 1 A 24 24 ARG C C 24 175.564 176.303 -0.739 1
1 190 . 7 1 1 A 25 25 LYS CA C 25 59.220 59.212 0.008 1
1 191 . 7 1 1 A 25 25 LYS HA H 25 3.118 3.211 -0.093 1
1 192 . 7 1 1 A 25 25 LYS CB C 25 31.720 31.696 0.024 1
1 204 . 7 1 1 A 25 25 LYS C C 25 178.185 178.106 0.079 1
1 205 . 7 1 1 A 26 26 SER N N 26 112.513 116.602 -4.089 1
1 206 . 7 1 1 A 26 26 SER H H 26 8.477 8.065 0.412 1
1 207 . 7 1 1 A 26 26 SER CA C 26 61.122 62.156 -1.034 1
1 208 . 7 1 1 A 26 26 SER HA H 26 3.915 4.043 -0.128 1
1 209 . 7 1 1 A 26 26 SER CB C 26 61.354 63.068 -1.714 1
1 212 . 7 1 1 A 26 26 SER C C 26 177.077 175.960 1.117 1
1 213 . 7 1 1 A 27 27 THR N N 27 117.989 117.023 0.966 1
1 214 . 7 1 1 A 27 27 THR H H 27 6.929 7.962 -1.033 1
1 215 . 7 1 1 A 27 27 THR CA C 27 65.178 67.195 -2.017 1
1 216 . 7 1 1 A 27 27 THR HA H 27 3.875 3.796 0.079 1
1 217 . 7 1 1 A 27 27 THR CB C 27 67.995 68.412 -0.417 1
1 223 . 7 1 1 A 27 27 THR C C 27 176.325 175.975 0.350 1
1 224 . 7 1 1 A 28 28 LEU N N 28 123.865 120.487 3.378 1
1 225 . 7 1 1 A 28 28 LEU H H 28 7.075 7.483 -0.408 1
1 226 . 7 1 1 A 28 28 LEU CA C 28 58.313 57.855 0.458 1
1 227 . 7 1 1 A 28 28 LEU HA H 28 3.255 2.865 0.390 1
1 228 . 7 1 1 A 28 28 LEU CB C 28 40.195 41.195 -1.000 1
1 241 . 7 1 1 A 28 28 LEU C C 28 177.531 178.507 -0.976 1
1 242 . 7 1 1 A 29 29 ILE N N 29 119.337 119.921 -0.584 1
1 243 . 7 1 1 A 29 29 ILE H H 29 8.208 7.839 0.369 1
1 244 . 7 1 1 A 29 29 ILE CA C 29 64.671 65.300 -0.629 1
1 245 . 7 1 1 A 29 29 ILE HA H 29 3.738 3.520 0.218 1
1 246 . 7 1 1 A 29 29 ILE CB C 29 37.489 37.540 -0.051 1
1 259 . 7 1 1 A 29 29 ILE C C 29 179.113 177.750 1.363 1
1 260 . 7 1 1 A 30 30 MET N N 30 117.854 117.883 -0.029 1
1 261 . 7 1 1 A 30 30 MET H H 30 7.452 7.923 -0.471 1
1 262 . 7 1 1 A 30 30 MET CA C 30 58.365 58.887 -0.522 1
1 263 . 7 1 1 A 30 30 MET HA H 30 4.111 4.001 0.110 1
1 264 . 7 1 1 A 30 30 MET CB C 30 32.273 32.103 0.170 1
1 274 . 7 1 1 A 30 30 MET C C 30 178.944 178.392 0.552 1
1 275 . 7 1 1 A 31 31 HIS N N 31 120.334 119.773 0.561 1
1 276 . 7 1 1 A 31 31 HIS H H 31 7.948 7.736 0.212 1
1 277 . 7 1 1 A 31 31 HIS CA C 31 59.151 59.429 -0.278 1
1 278 . 7 1 1 A 31 31 HIS HA H 31 4.157 4.200 -0.043 1
1 279 . 7 1 1 A 31 31 HIS CB C 31 28.008 29.836 -1.828 1
1 286 . 7 1 1 A 31 31 HIS C C 31 176.320 177.039 -0.719 1
1 287 . 7 1 1 A 32 32 GLN N N 32 115.623 117.295 -1.672 1
1 288 . 7 1 1 A 32 32 GLN H H 32 8.424 8.420 0.004 1
1 289 . 7 1 1 A 32 32 GLN CA C 32 59.493 59.285 0.208 1
1 290 . 7 1 1 A 32 32 GLN HA H 32 3.663 3.888 -0.225 1
1 291 . 7 1 1 A 32 32 GLN CB C 32 28.305 28.314 -0.009 1
1 300 . 7 1 1 A 32 32 GLN C C 32 177.429 178.641 -1.212 1
1 301 . 7 1 1 A 33 33 ARG N N 33 117.693 119.538 -1.845 1
1 302 . 7 1 1 A 33 33 ARG H H 33 7.178 7.538 -0.360 1
1 303 . 7 1 1 A 33 33 ARG CA C 33 58.554 58.891 -0.337 1
1 304 . 7 1 1 A 33 33 ARG HA H 33 4.136 4.030 0.106 1
1 305 . 7 1 1 A 33 33 ARG CB C 33 30.111 29.870 0.241 1
1 314 . 7 1 1 A 33 33 ARG C C 33 178.642 178.801 -0.159 1
1 315 . 7 1 1 A 34 34 ILE N N 34 116.231 118.293 -2.062 1
1 316 . 7 1 1 A 34 34 ILE H H 34 7.835 7.998 -0.163 1
1 317 . 7 1 1 A 34 34 ILE CA C 34 63.054 64.237 -1.183 1
1 318 . 7 1 1 A 34 34 ILE HA H 34 3.974 3.742 0.232 1
1 319 . 7 1 1 A 34 34 ILE CB C 34 37.687 37.299 0.388 1
1 332 . 7 1 1 A 34 34 ILE C C 34 177.429 177.524 -0.095 1
1 333 . 7 1 1 A 35 35 HIS N N 35 117.721 119.952 -2.231 1
1 334 . 7 1 1 A 35 35 HIS H H 35 7.202 7.460 -0.258 1
1 335 . 7 1 1 A 35 35 HIS CA C 35 55.257 58.666 -3.409 1
1 336 . 7 1 1 A 35 35 HIS HA H 35 4.853 4.322 0.531 1
1 337 . 7 1 1 A 35 35 HIS CB C 35 28.493 30.113 -1.620 1
1 344 . 7 1 1 A 35 35 HIS C C 35 175.814 176.617 -0.803 1
1 345 . 7 1 1 A 36 36 THR N N 36 111.765 112.057 -0.292 1
1 346 . 7 1 1 A 36 36 THR H H 36 7.763 7.708 0.055 1
1 347 . 7 1 1 A 36 36 THR CA C 36 62.569 63.546 -0.977 1
1 348 . 7 1 1 A 36 36 THR HA H 36 4.350 3.930 0.420 1
1 349 . 7 1 1 A 36 36 THR CB C 36 69.804 68.754 1.050 1
1 355 . 7 1 1 A 36 36 THR C C 36 175.474 175.038 0.436 1
1 356 . 7 1 1 A 37 37 GLY N N 37 110.608 115.608 -5.000 1
1 357 . 7 1 1 A 37 37 GLY H H 37 8.218 8.455 -0.237 1
1 358 . 7 1 1 A 37 37 GLY CA C 37 45.399 45.480 -0.081 1
1 359 . 7 1 1 A 37 37 GLY HA2 H 37 3.955 4.030 -0.075 1
1 360 . 7 1 1 A 37 37 GLY HA3 H 37 4.026 4.031 -0.005 1
1 361 . 7 1 1 A 37 37 GLY C C 37 174.038 173.220 0.818 1
1 362 . 7 1 1 A 38 38 GLU N N 38 120.485 120.510 -0.025 1
1 363 . 7 1 1 A 38 38 GLU H H 38 8.221 7.999 0.222 1
1 364 . 7 1 1 A 38 38 GLU CA C 38 56.456 55.844 0.612 1
1 365 . 7 1 1 A 38 38 GLU HA H 38 4.219 4.696 -0.477 1
1 366 . 7 1 1 A 38 38 GLU CB C 38 30.482 32.884 -2.402 1
1 371 . 7 1 1 A 38 38 GLU C C 38 176.231 174.729 1.502 1
1 372 . 7 1 1 A 39 39 LYS N N 39 123.785 128.059 -4.274 1
1 373 . 7 1 1 A 39 39 LYS H H 39 8.387 8.447 -0.060 1
1 374 . 7 1 1 A 39 39 LYS CA C 39 54.108 54.435 -0.327 1
1 375 . 7 1 1 A 39 39 LYS HA H 39 4.607 4.355 0.252 1
1 376 . 7 1 1 A 39 39 LYS CB C 39 32.499 33.311 -0.812 1
1 388 . 7 1 1 A 39 39 LYS C C 39 174.519 175.179 -0.660 1
1 389 . 7 1 1 A 40 40 PRO CA C 40 63.238 62.424 0.814 1
1 390 . 7 1 1 A 40 40 PRO HA H 40 4.463 4.533 -0.070 1
1 391 . 7 1 1 A 40 40 PRO CB C 40 32.180 32.412 -0.232 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.453 46.611 -1.158 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 4.042 3.890 0.152 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 4.042 3.894 0.148 1
1 4 . 8 1 1 A 7 7 GLY C C 7 174.573 174.783 -0.210 1
1 5 . 8 1 1 A 8 8 THR N N 8 112.804 118.130 -5.326 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.143 8.658 -0.515 1
1 7 . 8 1 1 A 8 8 THR CA C 8 62.075 62.234 -0.159 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.367 4.524 -0.157 1
1 9 . 8 1 1 A 8 8 THR CB C 8 69.768 70.538 -0.770 1
1 15 . 8 1 1 A 8 8 THR C C 8 175.337 175.312 0.025 1
1 16 . 8 1 1 A 9 9 GLY N N 9 110.991 109.828 1.163 1
1 17 . 8 1 1 A 9 9 GLY H H 9 8.462 7.492 0.970 1
1 18 . 8 1 1 A 9 9 GLY CA C 9 45.399 45.293 0.106 1
1 19 . 8 1 1 A 9 9 GLY HA2 H 9 4.023 4.108 -0.085 1
1 20 . 8 1 1 A 9 9 GLY HA3 H 9 3.951 4.117 -0.166 1
1 21 . 8 1 1 A 9 9 GLY C C 9 174.073 174.659 -0.586 1
1 22 . 8 1 1 A 10 10 GLU N N 10 120.581 121.105 -0.524 1
1 23 . 8 1 1 A 10 10 GLU H H 10 8.079 8.177 -0.098 1
1 24 . 8 1 1 A 10 10 GLU CA C 10 56.456 55.988 0.468 1
1 25 . 8 1 1 A 10 10 GLU HA H 10 4.242 4.480 -0.238 1
1 26 . 8 1 1 A 10 10 GLU CB C 10 30.527 30.911 -0.384 1
1 32 . 8 1 1 A 10 10 GLU C C 10 176.271 176.765 -0.494 1
1 33 . 8 1 1 A 11 11 ARG N N 11 122.007 123.175 -1.168 1
1 34 . 8 1 1 A 11 11 ARG H H 11 8.340 8.617 -0.277 1
1 35 . 8 1 1 A 11 11 ARG CA C 11 55.538 55.360 0.178 1
1 36 . 8 1 1 A 11 11 ARG HA H 11 4.226 4.552 -0.326 1
1 37 . 8 1 1 A 11 11 ARG CB C 11 30.611 30.020 0.591 1
1 46 . 8 1 1 A 11 11 ARG C C 11 174.992 175.646 -0.654 1
1 47 . 8 1 1 A 12 12 HIS N N 12 119.313 120.080 -0.767 1
1 48 . 8 1 1 A 12 12 HIS H H 12 7.928 7.943 -0.015 1
1 49 . 8 1 1 A 12 12 HIS CA C 12 55.443 54.537 0.906 1
1 50 . 8 1 1 A 12 12 HIS HA H 12 4.611 5.315 -0.704 1
1 51 . 8 1 1 A 12 12 HIS CB C 12 31.542 31.633 -0.091 1
1 58 . 8 1 1 A 12 12 HIS C C 12 173.859 172.953 0.906 1
1 59 . 8 1 1 A 13 13 TYR N N 13 120.629 127.267 -6.638 1
1 60 . 8 1 1 A 13 13 TYR H H 13 8.698 9.053 -0.355 1
1 61 . 8 1 1 A 13 13 TYR CA C 13 57.583 56.449 1.134 1
1 62 . 8 1 1 A 13 13 TYR HA H 13 4.619 5.003 -0.384 1
1 63 . 8 1 1 A 13 13 TYR CB C 13 39.470 39.488 -0.018 1
1 74 . 8 1 1 A 13 13 TYR C C 13 174.783 174.933 -0.150 1
1 75 . 8 1 1 A 14 14 GLU N N 14 123.865 126.077 -2.212 1
1 76 . 8 1 1 A 14 14 GLU H H 14 8.733 8.699 0.034 1
1 77 . 8 1 1 A 14 14 GLU CA C 14 55.094 56.243 -1.149 1
1 78 . 8 1 1 A 14 14 GLU HA H 14 4.934 5.134 -0.200 1
1 79 . 8 1 1 A 14 14 GLU CB C 14 32.824 30.689 2.135 1
1 85 . 8 1 1 A 14 14 GLU C C 14 175.407 176.272 -0.865 1
1 86 . 8 1 1 A 15 15 CYS N N 15 126.550 124.450 2.100 1
1 87 . 8 1 1 A 15 15 CYS H H 15 9.243 8.652 0.591 1
1 88 . 8 1 1 A 15 15 CYS CA C 15 59.494 58.179 1.315 1
1 89 . 8 1 1 A 15 15 CYS HA H 15 4.591 4.811 -0.220 1
1 90 . 8 1 1 A 15 15 CYS CB C 15 29.721 29.138 0.583 1
1 93 . 8 1 1 A 15 15 CYS C C 15 177.448 176.197 1.251 1
1 94 . 8 1 1 A 16 16 SER CA C 16 60.991 60.856 0.135 1
1 95 . 8 1 1 A 16 16 SER HA H 16 4.281 4.212 0.069 1
1 96 . 8 1 1 A 16 16 SER CB C 16 63.004 62.933 0.071 1
1 99 . 8 1 1 A 16 16 SER C C 16 174.576 175.865 -1.289 1
1 100 . 8 1 1 A 17 17 GLU N N 17 122.766 121.634 1.132 1
1 101 . 8 1 1 A 17 17 GLU H H 17 8.641 7.693 0.948 1
1 102 . 8 1 1 A 17 17 GLU CA C 17 58.039 58.880 -0.841 1
1 103 . 8 1 1 A 17 17 GLU HA H 17 4.246 4.053 0.193 1
1 104 . 8 1 1 A 17 17 GLU CB C 17 29.583 29.744 -0.161 1
1 110 . 8 1 1 A 17 17 GLU C C 17 177.145 177.739 -0.594 1
1 111 . 8 1 1 A 18 18 CYS N N 18 114.540 115.666 -1.126 1
1 112 . 8 1 1 A 18 18 CYS H H 18 7.881 8.158 -0.277 1
1 113 . 8 1 1 A 18 18 CYS CA C 18 58.403 59.747 -1.344 1
1 114 . 8 1 1 A 18 18 CYS HA H 18 5.164 4.663 0.501 1
1 115 . 8 1 1 A 18 18 CYS CB C 18 32.532 30.022 2.510 1
1 118 . 8 1 1 A 18 18 CYS C C 18 176.314 175.463 0.851 1
1 119 . 8 1 1 A 19 19 GLY N N 19 113.441 110.381 3.060 1
1 120 . 8 1 1 A 19 19 GLY H H 19 8.210 8.174 0.036 1
1 121 . 8 1 1 A 19 19 GLY CA C 19 46.213 45.187 1.026 1
1 122 . 8 1 1 A 19 19 GLY HA2 H 19 3.866 4.086 -0.220 1
1 123 . 8 1 1 A 19 19 GLY HA3 H 19 4.209 4.106 0.103 1
1 124 . 8 1 1 A 19 19 GLY C C 19 173.754 174.258 -0.504 1
1 125 . 8 1 1 A 20 20 LYS N N 20 122.503 121.895 0.608 1
1 126 . 8 1 1 A 20 20 LYS H H 20 7.874 7.560 0.314 1
1 127 . 8 1 1 A 20 20 LYS CA C 20 57.935 55.151 2.784 1
1 128 . 8 1 1 A 20 20 LYS HA H 20 3.953 4.454 -0.501 1
1 129 . 8 1 1 A 20 20 LYS CB C 20 33.881 33.473 0.408 1
1 141 . 8 1 1 A 20 20 LYS C C 20 173.729 175.755 -2.026 1
1 142 . 8 1 1 A 21 21 ALA N N 21 123.153 128.810 -5.657 1
1 143 . 8 1 1 A 21 21 ALA H H 21 7.808 8.448 -0.640 1
1 144 . 8 1 1 A 21 21 ALA CA C 21 50.379 51.093 -0.714 1
1 145 . 8 1 1 A 21 21 ALA HA H 21 5.019 5.306 -0.287 1
1 146 . 8 1 1 A 21 21 ALA CB C 21 21.933 20.366 1.567 1
1 150 . 8 1 1 A 21 21 ALA C C 21 176.429 176.482 -0.053 1
1 151 . 8 1 1 A 22 22 PHE N N 22 117.263 118.038 -0.775 1
1 152 . 8 1 1 A 22 22 PHE H H 22 8.627 8.899 -0.272 1
1 153 . 8 1 1 A 22 22 PHE CA C 22 57.115 56.763 0.352 1
1 154 . 8 1 1 A 22 22 PHE HA H 22 4.730 4.975 -0.245 1
1 155 . 8 1 1 A 22 22 PHE CB C 22 43.753 43.654 0.099 1
1 168 . 8 1 1 A 22 22 PHE C C 22 175.254 175.781 -0.527 1
1 169 . 8 1 1 A 23 23 ALA CA C 23 53.560 53.945 -0.385 1
1 170 . 8 1 1 A 23 23 ALA HA H 23 4.507 4.429 0.078 1
1 171 . 8 1 1 A 23 23 ALA CB C 23 19.794 20.403 -0.609 1
1 175 . 8 1 1 A 23 23 ALA C C 23 177.450 177.516 -0.066 1
1 176 . 8 1 1 A 24 24 ARG N N 24 113.263 117.613 -4.350 1
1 177 . 8 1 1 A 24 24 ARG H H 24 7.468 7.890 -0.422 1
1 178 . 8 1 1 A 24 24 ARG CA C 24 53.899 54.890 -0.991 1
1 179 . 8 1 1 A 24 24 ARG HA H 24 4.741 4.724 0.017 1
1 180 . 8 1 1 A 24 24 ARG CB C 24 33.416 32.376 1.040 1
1 189 . 8 1 1 A 24 24 ARG C C 24 175.564 176.333 -0.769 1
1 190 . 8 1 1 A 25 25 LYS CA C 25 59.220 59.752 -0.532 1
1 191 . 8 1 1 A 25 25 LYS HA H 25 3.118 3.077 0.041 1
1 192 . 8 1 1 A 25 25 LYS CB C 25 31.720 31.501 0.219 1
1 204 . 8 1 1 A 25 25 LYS C C 25 178.185 177.890 0.295 1
1 205 . 8 1 1 A 26 26 SER N N 26 112.513 115.113 -2.600 1
1 206 . 8 1 1 A 26 26 SER H H 26 8.477 8.284 0.193 1
1 207 . 8 1 1 A 26 26 SER CA C 26 61.122 61.220 -0.098 1
1 208 . 8 1 1 A 26 26 SER HA H 26 3.915 4.099 -0.184 1
1 209 . 8 1 1 A 26 26 SER CB C 26 61.354 62.122 -0.768 1
1 212 . 8 1 1 A 26 26 SER C C 26 177.077 176.753 0.324 1
1 213 . 8 1 1 A 27 27 THR N N 27 117.989 116.723 1.266 1
1 214 . 8 1 1 A 27 27 THR H H 27 6.929 7.929 -1.000 1
1 215 . 8 1 1 A 27 27 THR CA C 27 65.178 67.298 -2.120 1
1 216 . 8 1 1 A 27 27 THR HA H 27 3.875 3.811 0.064 1
1 217 . 8 1 1 A 27 27 THR CB C 27 67.995 68.392 -0.397 1
1 223 . 8 1 1 A 27 27 THR C C 27 176.325 176.120 0.205 1
1 224 . 8 1 1 A 28 28 LEU N N 28 123.865 120.606 3.259 1
1 225 . 8 1 1 A 28 28 LEU H H 28 7.075 7.493 -0.418 1
1 226 . 8 1 1 A 28 28 LEU CA C 28 58.313 57.748 0.565 1
1 227 . 8 1 1 A 28 28 LEU HA H 28 3.255 2.543 0.712 1
1 228 . 8 1 1 A 28 28 LEU CB C 28 40.195 41.369 -1.174 1
1 241 . 8 1 1 A 28 28 LEU C C 28 177.531 178.375 -0.844 1
1 242 . 8 1 1 A 29 29 ILE N N 29 119.337 119.753 -0.416 1
1 243 . 8 1 1 A 29 29 ILE H H 29 8.208 7.548 0.660 1
1 244 . 8 1 1 A 29 29 ILE CA C 29 64.671 65.295 -0.624 1
1 245 . 8 1 1 A 29 29 ILE HA H 29 3.738 3.502 0.236 1
1 246 . 8 1 1 A 29 29 ILE CB C 29 37.489 37.519 -0.030 1
1 259 . 8 1 1 A 29 29 ILE C C 29 179.113 177.714 1.399 1
1 260 . 8 1 1 A 30 30 MET N N 30 117.854 118.235 -0.381 1
1 261 . 8 1 1 A 30 30 MET H H 30 7.452 7.996 -0.544 1
1 262 . 8 1 1 A 30 30 MET CA C 30 58.365 59.036 -0.671 1
1 263 . 8 1 1 A 30 30 MET HA H 30 4.111 3.987 0.124 1
1 264 . 8 1 1 A 30 30 MET CB C 30 32.273 32.311 -0.038 1
1 274 . 8 1 1 A 30 30 MET C C 30 178.944 178.538 0.406 1
1 275 . 8 1 1 A 31 31 HIS N N 31 120.334 119.634 0.700 1
1 276 . 8 1 1 A 31 31 HIS H H 31 7.948 7.757 0.191 1
1 277 . 8 1 1 A 31 31 HIS CA C 31 59.151 59.296 -0.145 1
1 278 . 8 1 1 A 31 31 HIS HA H 31 4.157 4.173 -0.016 1
1 279 . 8 1 1 A 31 31 HIS CB C 31 28.008 29.771 -1.763 1
1 286 . 8 1 1 A 31 31 HIS C C 31 176.320 176.846 -0.526 1
1 287 . 8 1 1 A 32 32 GLN N N 32 115.623 117.402 -1.779 1
1 288 . 8 1 1 A 32 32 GLN H H 32 8.424 8.515 -0.091 1
1 289 . 8 1 1 A 32 32 GLN CA C 32 59.493 59.352 0.141 1
1 290 . 8 1 1 A 32 32 GLN HA H 32 3.663 3.951 -0.288 1
1 291 . 8 1 1 A 32 32 GLN CB C 32 28.305 28.354 -0.049 1
1 300 . 8 1 1 A 32 32 GLN C C 32 177.429 178.521 -1.092 1
1 301 . 8 1 1 A 33 33 ARG N N 33 117.693 119.831 -2.138 1
1 302 . 8 1 1 A 33 33 ARG H H 33 7.178 7.704 -0.526 1
1 303 . 8 1 1 A 33 33 ARG CA C 33 58.554 58.948 -0.394 1
1 304 . 8 1 1 A 33 33 ARG HA H 33 4.136 3.956 0.180 1
1 305 . 8 1 1 A 33 33 ARG CB C 33 30.111 29.842 0.269 1
1 314 . 8 1 1 A 33 33 ARG C C 33 178.642 178.654 -0.012 1
1 315 . 8 1 1 A 34 34 ILE N N 34 116.231 118.102 -1.871 1
1 316 . 8 1 1 A 34 34 ILE H H 34 7.835 8.129 -0.294 1
1 317 . 8 1 1 A 34 34 ILE CA C 34 63.054 64.171 -1.117 1
1 318 . 8 1 1 A 34 34 ILE HA H 34 3.974 3.742 0.232 1
1 319 . 8 1 1 A 34 34 ILE CB C 34 37.687 37.169 0.518 1
1 332 . 8 1 1 A 34 34 ILE C C 34 177.429 177.701 -0.272 1
1 333 . 8 1 1 A 35 35 HIS N N 35 117.721 119.892 -2.171 1
1 334 . 8 1 1 A 35 35 HIS H H 35 7.202 7.606 -0.404 1
1 335 . 8 1 1 A 35 35 HIS CA C 35 55.257 58.959 -3.702 1
1 336 . 8 1 1 A 35 35 HIS HA H 35 4.853 4.366 0.487 1
1 337 . 8 1 1 A 35 35 HIS CB C 35 28.493 30.033 -1.540 1
1 344 . 8 1 1 A 35 35 HIS C C 35 175.814 176.471 -0.657 1
1 345 . 8 1 1 A 36 36 THR N N 36 111.765 111.770 -0.005 1
1 346 . 8 1 1 A 36 36 THR H H 36 7.763 7.451 0.312 1
1 347 . 8 1 1 A 36 36 THR CA C 36 62.569 62.089 0.480 1
1 348 . 8 1 1 A 36 36 THR HA H 36 4.350 4.326 0.024 1
1 349 . 8 1 1 A 36 36 THR CB C 36 69.804 69.026 0.778 1
1 355 . 8 1 1 A 36 36 THR C C 36 175.474 174.549 0.925 1
1 356 . 8 1 1 A 37 37 GLY N N 37 110.608 114.837 -4.229 1
1 357 . 8 1 1 A 37 37 GLY H H 37 8.218 8.624 -0.406 1
1 358 . 8 1 1 A 37 37 GLY CA C 37 45.399 45.929 -0.530 1
1 359 . 8 1 1 A 37 37 GLY HA2 H 37 3.955 4.160 -0.205 1
1 360 . 8 1 1 A 37 37 GLY HA3 H 37 4.026 4.163 -0.137 1
1 361 . 8 1 1 A 37 37 GLY C C 37 174.038 172.493 1.545 1
1 362 . 8 1 1 A 38 38 GLU N N 38 120.485 124.164 -3.679 1
1 363 . 8 1 1 A 38 38 GLU H H 38 8.221 8.770 -0.549 1
1 364 . 8 1 1 A 38 38 GLU CA C 38 56.456 55.462 0.994 1
1 365 . 8 1 1 A 38 38 GLU HA H 38 4.219 5.007 -0.788 1
1 366 . 8 1 1 A 38 38 GLU CB C 38 30.482 31.275 -0.793 1
1 371 . 8 1 1 A 38 38 GLU C C 38 176.231 175.545 0.686 1
1 372 . 8 1 1 A 39 39 LYS N N 39 123.785 126.330 -2.545 1
1 373 . 8 1 1 A 39 39 LYS H H 39 8.387 8.769 -0.382 1
1 374 . 8 1 1 A 39 39 LYS CA C 39 54.108 52.850 1.258 1
1 375 . 8 1 1 A 39 39 LYS HA H 39 4.607 4.874 -0.267 1
1 376 . 8 1 1 A 39 39 LYS CB C 39 32.499 35.001 -2.502 1
1 388 . 8 1 1 A 39 39 LYS C C 39 174.519 173.880 0.639 1
1 389 . 8 1 1 A 40 40 PRO CA C 40 63.238 62.495 0.743 1
1 390 . 8 1 1 A 40 40 PRO HA H 40 4.463 4.640 -0.177 1
1 391 . 8 1 1 A 40 40 PRO CB C 40 32.180 32.847 -0.667 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.453 45.565 -0.112 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 4.042 4.145 -0.103 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 4.042 4.147 -0.105 1
1 4 . 9 1 1 A 7 7 GLY C C 7 174.573 174.284 0.289 1
1 5 . 9 1 1 A 8 8 THR N N 8 112.804 111.212 1.592 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.143 7.896 0.247 1
1 7 . 9 1 1 A 8 8 THR CA C 8 62.075 60.640 1.435 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.367 4.651 -0.284 1
1 9 . 9 1 1 A 8 8 THR CB C 8 69.768 70.704 -0.936 1
1 15 . 9 1 1 A 8 8 THR C C 8 175.337 174.961 0.376 1
1 16 . 9 1 1 A 9 9 GLY N N 9 110.991 110.321 0.670 1
1 17 . 9 1 1 A 9 9 GLY H H 9 8.462 8.479 -0.017 1
1 18 . 9 1 1 A 9 9 GLY CA C 9 45.399 45.910 -0.511 1
1 19 . 9 1 1 A 9 9 GLY HA2 H 9 4.023 3.945 0.078 1
1 20 . 9 1 1 A 9 9 GLY HA3 H 9 3.951 3.950 0.001 1
1 21 . 9 1 1 A 9 9 GLY C C 9 174.073 174.501 -0.428 1
1 22 . 9 1 1 A 10 10 GLU N N 10 120.581 120.610 -0.029 1
1 23 . 9 1 1 A 10 10 GLU H H 10 8.079 7.647 0.432 1
1 24 . 9 1 1 A 10 10 GLU CA C 10 56.456 57.285 -0.829 1
1 25 . 9 1 1 A 10 10 GLU HA H 10 4.242 4.241 0.001 1
1 26 . 9 1 1 A 10 10 GLU CB C 10 30.527 30.552 -0.025 1
1 32 . 9 1 1 A 10 10 GLU C C 10 176.271 176.444 -0.173 1
1 33 . 9 1 1 A 11 11 ARG N N 11 122.007 125.904 -3.897 1
1 34 . 9 1 1 A 11 11 ARG H H 11 8.340 8.762 -0.422 1
1 35 . 9 1 1 A 11 11 ARG CA C 11 55.538 55.175 0.363 1
1 36 . 9 1 1 A 11 11 ARG HA H 11 4.226 4.457 -0.231 1
1 37 . 9 1 1 A 11 11 ARG CB C 11 30.611 28.854 1.757 1
1 46 . 9 1 1 A 11 11 ARG C C 11 174.992 174.585 0.407 1
1 47 . 9 1 1 A 12 12 HIS N N 12 119.313 122.695 -3.382 1
1 48 . 9 1 1 A 12 12 HIS H H 12 7.928 8.726 -0.798 1
1 49 . 9 1 1 A 12 12 HIS CA C 12 55.443 54.178 1.265 1
1 50 . 9 1 1 A 12 12 HIS HA H 12 4.611 5.576 -0.965 1
1 51 . 9 1 1 A 12 12 HIS CB C 12 31.542 31.899 -0.357 1
1 58 . 9 1 1 A 12 12 HIS C C 12 173.859 172.942 0.917 1
1 59 . 9 1 1 A 13 13 TYR N N 13 120.629 126.951 -6.322 1
1 60 . 9 1 1 A 13 13 TYR H H 13 8.698 9.182 -0.484 1
1 61 . 9 1 1 A 13 13 TYR CA C 13 57.583 57.129 0.454 1
1 62 . 9 1 1 A 13 13 TYR HA H 13 4.619 5.039 -0.420 1
1 63 . 9 1 1 A 13 13 TYR CB C 13 39.470 40.135 -0.665 1
1 74 . 9 1 1 A 13 13 TYR C C 13 174.783 175.027 -0.244 1
1 75 . 9 1 1 A 14 14 GLU N N 14 123.865 124.949 -1.084 1
1 76 . 9 1 1 A 14 14 GLU H H 14 8.733 9.157 -0.424 1
1 77 . 9 1 1 A 14 14 GLU CA C 14 55.094 54.711 0.383 1
1 78 . 9 1 1 A 14 14 GLU HA H 14 4.934 5.503 -0.569 1
1 79 . 9 1 1 A 14 14 GLU CB C 14 32.824 32.324 0.500 1
1 85 . 9 1 1 A 14 14 GLU C C 14 175.407 175.468 -0.061 1
1 86 . 9 1 1 A 15 15 CYS N N 15 126.550 124.302 2.248 1
1 87 . 9 1 1 A 15 15 CYS H H 15 9.243 8.846 0.397 1
1 88 . 9 1 1 A 15 15 CYS CA C 15 59.494 58.066 1.428 1
1 89 . 9 1 1 A 15 15 CYS HA H 15 4.591 4.860 -0.269 1
1 90 . 9 1 1 A 15 15 CYS CB C 15 29.721 29.245 0.476 1
1 93 . 9 1 1 A 15 15 CYS C C 15 177.448 176.137 1.311 1
1 94 . 9 1 1 A 16 16 SER CA C 16 60.991 61.048 -0.057 1
1 95 . 9 1 1 A 16 16 SER HA H 16 4.281 4.465 -0.184 1
1 96 . 9 1 1 A 16 16 SER CB C 16 63.004 63.014 -0.010 1
1 99 . 9 1 1 A 16 16 SER C C 16 174.576 176.576 -2.000 1
1 100 . 9 1 1 A 17 17 GLU N N 17 122.766 121.515 1.251 1
1 101 . 9 1 1 A 17 17 GLU H H 17 8.641 7.794 0.847 1
1 102 . 9 1 1 A 17 17 GLU CA C 17 58.039 58.779 -0.740 1
1 103 . 9 1 1 A 17 17 GLU HA H 17 4.246 4.025 0.221 1
1 104 . 9 1 1 A 17 17 GLU CB C 17 29.583 30.090 -0.507 1
1 110 . 9 1 1 A 17 17 GLU C C 17 177.145 177.540 -0.395 1
1 111 . 9 1 1 A 18 18 CYS N N 18 114.540 115.947 -1.407 1
1 112 . 9 1 1 A 18 18 CYS H H 18 7.881 8.025 -0.144 1
1 113 . 9 1 1 A 18 18 CYS CA C 18 58.403 59.635 -1.232 1
1 114 . 9 1 1 A 18 18 CYS HA H 18 5.164 4.711 0.453 1
1 115 . 9 1 1 A 18 18 CYS CB C 18 32.532 30.014 2.518 1
1 118 . 9 1 1 A 18 18 CYS C C 18 176.314 175.653 0.661 1
1 119 . 9 1 1 A 19 19 GLY N N 19 113.441 110.097 3.344 1
1 120 . 9 1 1 A 19 19 GLY H H 19 8.210 7.918 0.292 1
1 121 . 9 1 1 A 19 19 GLY CA C 19 46.213 44.937 1.276 1
1 122 . 9 1 1 A 19 19 GLY HA2 H 19 3.866 4.087 -0.221 1
1 123 . 9 1 1 A 19 19 GLY HA3 H 19 4.209 4.103 0.106 1
1 124 . 9 1 1 A 19 19 GLY C C 19 173.754 174.530 -0.776 1
1 125 . 9 1 1 A 20 20 LYS N N 20 122.503 120.225 2.278 1
1 126 . 9 1 1 A 20 20 LYS H H 20 7.874 7.244 0.630 1
1 127 . 9 1 1 A 20 20 LYS CA C 20 57.935 56.286 1.649 1
1 128 . 9 1 1 A 20 20 LYS HA H 20 3.953 4.154 -0.201 1
1 129 . 9 1 1 A 20 20 LYS CB C 20 33.881 32.759 1.122 1
1 141 . 9 1 1 A 20 20 LYS C C 20 173.729 175.289 -1.560 1
1 142 . 9 1 1 A 21 21 ALA N N 21 123.153 127.642 -4.489 1
1 143 . 9 1 1 A 21 21 ALA H H 21 7.808 8.446 -0.638 1
1 144 . 9 1 1 A 21 21 ALA CA C 21 50.379 50.425 -0.046 1
1 145 . 9 1 1 A 21 21 ALA HA H 21 5.019 5.323 -0.304 1
1 146 . 9 1 1 A 21 21 ALA CB C 21 21.933 20.777 1.156 1
1 150 . 9 1 1 A 21 21 ALA C C 21 176.429 176.723 -0.294 1
1 151 . 9 1 1 A 22 22 PHE N N 22 117.263 119.269 -2.006 1
1 152 . 9 1 1 A 22 22 PHE H H 22 8.627 9.260 -0.633 1
1 153 . 9 1 1 A 22 22 PHE CA C 22 57.115 56.437 0.678 1
1 154 . 9 1 1 A 22 22 PHE HA H 22 4.730 4.877 -0.147 1
1 155 . 9 1 1 A 22 22 PHE CB C 22 43.753 42.407 1.346 1
1 168 . 9 1 1 A 22 22 PHE C C 22 175.254 175.346 -0.092 1
1 169 . 9 1 1 A 23 23 ALA CA C 23 53.560 54.063 -0.503 1
1 170 . 9 1 1 A 23 23 ALA HA H 23 4.507 3.757 0.750 1
1 171 . 9 1 1 A 23 23 ALA CB C 23 19.794 19.165 0.629 1
1 175 . 9 1 1 A 23 23 ALA C C 23 177.450 177.765 -0.315 1
1 176 . 9 1 1 A 24 24 ARG N N 24 113.263 117.641 -4.378 1
1 177 . 9 1 1 A 24 24 ARG H H 24 7.468 7.967 -0.499 1
1 178 . 9 1 1 A 24 24 ARG CA C 24 53.899 54.676 -0.777 1
1 179 . 9 1 1 A 24 24 ARG HA H 24 4.741 4.698 0.043 1
1 180 . 9 1 1 A 24 24 ARG CB C 24 33.416 32.719 0.697 1
1 189 . 9 1 1 A 24 24 ARG C C 24 175.564 176.046 -0.482 1
1 190 . 9 1 1 A 25 25 LYS CA C 25 59.220 59.628 -0.408 1
1 191 . 9 1 1 A 25 25 LYS HA H 25 3.118 3.343 -0.225 1
1 192 . 9 1 1 A 25 25 LYS CB C 25 31.720 31.293 0.427 1
1 204 . 9 1 1 A 25 25 LYS C C 25 178.185 177.800 0.385 1
1 205 . 9 1 1 A 26 26 SER N N 26 112.513 115.256 -2.743 1
1 206 . 9 1 1 A 26 26 SER H H 26 8.477 8.268 0.209 1
1 207 . 9 1 1 A 26 26 SER CA C 26 61.122 61.345 -0.223 1
1 208 . 9 1 1 A 26 26 SER HA H 26 3.915 4.039 -0.124 1
1 209 . 9 1 1 A 26 26 SER CB C 26 61.354 61.965 -0.611 1
1 212 . 9 1 1 A 26 26 SER C C 26 177.077 176.873 0.204 1
1 213 . 9 1 1 A 27 27 THR N N 27 117.989 117.105 0.884 1
1 214 . 9 1 1 A 27 27 THR H H 27 6.929 7.995 -1.066 1
1 215 . 9 1 1 A 27 27 THR CA C 27 65.178 67.173 -1.995 1
1 216 . 9 1 1 A 27 27 THR HA H 27 3.875 3.872 0.003 1
1 217 . 9 1 1 A 27 27 THR CB C 27 67.995 68.419 -0.424 1
1 223 . 9 1 1 A 27 27 THR C C 27 176.325 176.040 0.285 1
1 224 . 9 1 1 A 28 28 LEU N N 28 123.865 120.544 3.321 1
1 225 . 9 1 1 A 28 28 LEU H H 28 7.075 7.355 -0.280 1
1 226 . 9 1 1 A 28 28 LEU CA C 28 58.313 57.968 0.345 1
1 227 . 9 1 1 A 28 28 LEU HA H 28 3.255 2.833 0.422 1
1 228 . 9 1 1 A 28 28 LEU CB C 28 40.195 41.315 -1.120 1
1 241 . 9 1 1 A 28 28 LEU C C 28 177.531 178.517 -0.986 1
1 242 . 9 1 1 A 29 29 ILE N N 29 119.337 120.029 -0.692 1
1 243 . 9 1 1 A 29 29 ILE H H 29 8.208 7.699 0.509 1
1 244 . 9 1 1 A 29 29 ILE CA C 29 64.671 65.179 -0.508 1
1 245 . 9 1 1 A 29 29 ILE HA H 29 3.738 3.549 0.189 1
1 246 . 9 1 1 A 29 29 ILE CB C 29 37.489 37.910 -0.421 1
1 259 . 9 1 1 A 29 29 ILE C C 29 179.113 177.792 1.321 1
1 260 . 9 1 1 A 30 30 MET N N 30 117.854 118.107 -0.253 1
1 261 . 9 1 1 A 30 30 MET H H 30 7.452 7.805 -0.353 1
1 262 . 9 1 1 A 30 30 MET CA C 30 58.365 58.506 -0.141 1
1 263 . 9 1 1 A 30 30 MET HA H 30 4.111 4.064 0.047 1
1 264 . 9 1 1 A 30 30 MET CB C 30 32.273 31.818 0.455 1
1 274 . 9 1 1 A 30 30 MET C C 30 178.944 178.434 0.510 1
1 275 . 9 1 1 A 31 31 HIS N N 31 120.334 120.176 0.158 1
1 276 . 9 1 1 A 31 31 HIS H H 31 7.948 7.892 0.056 1
1 277 . 9 1 1 A 31 31 HIS CA C 31 59.151 59.723 -0.572 1
1 278 . 9 1 1 A 31 31 HIS HA H 31 4.157 4.152 0.005 1
1 279 . 9 1 1 A 31 31 HIS CB C 31 28.008 29.888 -1.880 1
1 286 . 9 1 1 A 31 31 HIS C C 31 176.320 177.625 -1.305 1
1 287 . 9 1 1 A 32 32 GLN N N 32 115.623 118.547 -2.924 1
1 288 . 9 1 1 A 32 32 GLN H H 32 8.424 8.324 0.100 1
1 289 . 9 1 1 A 32 32 GLN CA C 32 59.493 59.217 0.276 1
1 290 . 9 1 1 A 32 32 GLN HA H 32 3.663 3.972 -0.309 1
1 291 . 9 1 1 A 32 32 GLN CB C 32 28.305 28.301 0.004 1
1 300 . 9 1 1 A 32 32 GLN C C 32 177.429 178.574 -1.145 1
1 301 . 9 1 1 A 33 33 ARG N N 33 117.693 119.517 -1.824 1
1 302 . 9 1 1 A 33 33 ARG H H 33 7.178 7.880 -0.702 1
1 303 . 9 1 1 A 33 33 ARG CA C 33 58.554 58.593 -0.039 1
1 304 . 9 1 1 A 33 33 ARG HA H 33 4.136 4.012 0.124 1
1 305 . 9 1 1 A 33 33 ARG CB C 33 30.111 30.084 0.027 1
1 314 . 9 1 1 A 33 33 ARG C C 33 178.642 178.908 -0.266 1
1 315 . 9 1 1 A 34 34 ILE N N 34 116.231 116.564 -0.333 1
1 316 . 9 1 1 A 34 34 ILE H H 34 7.835 7.715 0.120 1
1 317 . 9 1 1 A 34 34 ILE CA C 34 63.054 64.249 -1.195 1
1 318 . 9 1 1 A 34 34 ILE HA H 34 3.974 3.705 0.269 1
1 319 . 9 1 1 A 34 34 ILE CB C 34 37.687 37.023 0.664 1
1 332 . 9 1 1 A 34 34 ILE C C 34 177.429 177.956 -0.527 1
1 333 . 9 1 1 A 35 35 HIS N N 35 117.721 119.585 -1.864 1
1 334 . 9 1 1 A 35 35 HIS H H 35 7.202 7.304 -0.102 1
1 335 . 9 1 1 A 35 35 HIS CA C 35 55.257 59.392 -4.135 1
1 336 . 9 1 1 A 35 35 HIS HA H 35 4.853 4.354 0.499 1
1 337 . 9 1 1 A 35 35 HIS CB C 35 28.493 30.338 -1.845 1
1 344 . 9 1 1 A 35 35 HIS C C 35 175.814 176.391 -0.577 1
1 345 . 9 1 1 A 36 36 THR N N 36 111.765 111.467 0.298 1
1 346 . 9 1 1 A 36 36 THR H H 36 7.763 7.557 0.206 1
1 347 . 9 1 1 A 36 36 THR CA C 36 62.569 61.302 1.267 1
1 348 . 9 1 1 A 36 36 THR HA H 36 4.350 4.416 -0.066 1
1 349 . 9 1 1 A 36 36 THR CB C 36 69.804 68.941 0.863 1
1 355 . 9 1 1 A 36 36 THR C C 36 175.474 173.816 1.658 1
1 356 . 9 1 1 A 37 37 GLY N N 37 110.608 115.682 -5.074 1
1 357 . 9 1 1 A 37 37 GLY H H 37 8.218 8.542 -0.324 1
1 358 . 9 1 1 A 37 37 GLY CA C 37 45.399 46.432 -1.033 1
1 359 . 9 1 1 A 37 37 GLY HA2 H 37 3.955 3.942 0.013 1
1 360 . 9 1 1 A 37 37 GLY HA3 H 37 4.026 3.949 0.077 1
1 361 . 9 1 1 A 37 37 GLY C C 37 174.038 174.553 -0.515 1
1 362 . 9 1 1 A 38 38 GLU N N 38 120.485 113.507 6.978 1
1 363 . 9 1 1 A 38 38 GLU H H 38 8.221 7.836 0.385 1
1 364 . 9 1 1 A 38 38 GLU CA C 38 56.456 54.510 1.946 1
1 365 . 9 1 1 A 38 38 GLU HA H 38 4.219 4.826 -0.607 1
1 366 . 9 1 1 A 38 38 GLU CB C 38 30.482 32.755 -2.273 1
1 371 . 9 1 1 A 38 38 GLU C C 38 176.231 174.413 1.818 1
1 372 . 9 1 1 A 39 39 LYS N N 39 123.785 119.204 4.581 1
1 373 . 9 1 1 A 39 39 LYS H H 39 8.387 8.792 -0.405 1
1 374 . 9 1 1 A 39 39 LYS CA C 39 54.108 53.371 0.737 1
1 375 . 9 1 1 A 39 39 LYS HA H 39 4.607 4.971 -0.364 1
1 376 . 9 1 1 A 39 39 LYS CB C 39 32.499 35.175 -2.676 1
1 388 . 9 1 1 A 39 39 LYS C C 39 174.519 174.424 0.095 1
1 389 . 9 1 1 A 40 40 PRO CA C 40 63.238 62.466 0.772 1
1 390 . 9 1 1 A 40 40 PRO HA H 40 4.463 4.560 -0.097 1
1 391 . 9 1 1 A 40 40 PRO CB C 40 32.180 32.839 -0.659 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.453 43.860 1.593 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 4.042 4.111 -0.069 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 4.042 4.112 -0.070 1
1 4 . 10 1 1 A 7 7 GLY C C 7 174.573 173.033 1.540 1
1 5 . 10 1 1 A 8 8 THR N N 8 112.804 114.390 -1.586 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.143 8.162 -0.019 1
1 7 . 10 1 1 A 8 8 THR CA C 8 62.075 60.903 1.172 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.367 4.939 -0.572 1
1 9 . 10 1 1 A 8 8 THR CB C 8 69.768 71.989 -2.221 1
1 15 . 10 1 1 A 8 8 THR C C 8 175.337 175.450 -0.113 1
1 16 . 10 1 1 A 9 9 GLY N N 9 110.991 112.354 -1.363 1
1 17 . 10 1 1 A 9 9 GLY H H 9 8.462 8.906 -0.444 1
1 18 . 10 1 1 A 9 9 GLY CA C 9 45.399 47.344 -1.945 1
1 19 . 10 1 1 A 9 9 GLY HA2 H 9 4.023 3.859 0.164 1
1 20 . 10 1 1 A 9 9 GLY HA3 H 9 3.951 3.867 0.084 1
1 21 . 10 1 1 A 9 9 GLY C C 9 174.073 175.003 -0.930 1
1 22 . 10 1 1 A 10 10 GLU N N 10 120.581 114.910 5.671 1
1 23 . 10 1 1 A 10 10 GLU H H 10 8.079 7.942 0.137 1
1 24 . 10 1 1 A 10 10 GLU CA C 10 56.456 57.495 -1.039 1
1 25 . 10 1 1 A 10 10 GLU HA H 10 4.242 3.930 0.312 1
1 26 . 10 1 1 A 10 10 GLU CB C 10 30.527 26.987 3.540 1
1 32 . 10 1 1 A 10 10 GLU C C 10 176.271 175.250 1.021 1
1 33 . 10 1 1 A 11 11 ARG N N 11 122.007 120.091 1.916 1
1 34 . 10 1 1 A 11 11 ARG H H 11 8.340 7.921 0.419 1
1 35 . 10 1 1 A 11 11 ARG CA C 11 55.538 55.109 0.429 1
1 36 . 10 1 1 A 11 11 ARG HA H 11 4.226 4.235 -0.009 1
1 37 . 10 1 1 A 11 11 ARG CB C 11 30.611 28.982 1.629 1
1 46 . 10 1 1 A 11 11 ARG C C 11 174.992 174.774 0.218 1
1 47 . 10 1 1 A 12 12 HIS N N 12 119.313 121.461 -2.148 1
1 48 . 10 1 1 A 12 12 HIS H H 12 7.928 8.379 -0.451 1
1 49 . 10 1 1 A 12 12 HIS CA C 12 55.443 54.689 0.754 1
1 50 . 10 1 1 A 12 12 HIS HA H 12 4.611 5.573 -0.962 1
1 51 . 10 1 1 A 12 12 HIS CB C 12 31.542 30.749 0.793 1
1 58 . 10 1 1 A 12 12 HIS C C 12 173.859 174.181 -0.322 1
1 59 . 10 1 1 A 13 13 TYR N N 13 120.629 124.002 -3.373 1
1 60 . 10 1 1 A 13 13 TYR H H 13 8.698 8.920 -0.222 1
1 61 . 10 1 1 A 13 13 TYR CA C 13 57.583 57.811 -0.228 1
1 62 . 10 1 1 A 13 13 TYR HA H 13 4.619 4.866 -0.247 1
1 63 . 10 1 1 A 13 13 TYR CB C 13 39.470 39.638 -0.168 1
1 74 . 10 1 1 A 13 13 TYR C C 13 174.783 175.628 -0.845 1
1 75 . 10 1 1 A 14 14 GLU N N 14 123.865 125.066 -1.201 1
1 76 . 10 1 1 A 14 14 GLU H H 14 8.733 8.817 -0.084 1
1 77 . 10 1 1 A 14 14 GLU CA C 14 55.094 55.713 -0.619 1
1 78 . 10 1 1 A 14 14 GLU HA H 14 4.934 5.160 -0.226 1
1 79 . 10 1 1 A 14 14 GLU CB C 14 32.824 31.160 1.664 1
1 85 . 10 1 1 A 14 14 GLU C C 14 175.407 176.080 -0.673 1
1 86 . 10 1 1 A 15 15 CYS N N 15 126.550 124.124 2.426 1
1 87 . 10 1 1 A 15 15 CYS H H 15 9.243 8.589 0.654 1
1 88 . 10 1 1 A 15 15 CYS CA C 15 59.494 58.075 1.419 1
1 89 . 10 1 1 A 15 15 CYS HA H 15 4.591 4.838 -0.247 1
1 90 . 10 1 1 A 15 15 CYS CB C 15 29.721 29.573 0.148 1
1 93 . 10 1 1 A 15 15 CYS C C 15 177.448 175.971 1.477 1
1 94 . 10 1 1 A 16 16 SER CA C 16 60.991 60.328 0.663 1
1 95 . 10 1 1 A 16 16 SER HA H 16 4.281 4.314 -0.033 1
1 96 . 10 1 1 A 16 16 SER CB C 16 63.004 62.858 0.146 1
1 99 . 10 1 1 A 16 16 SER C C 16 174.576 175.754 -1.178 1
1 100 . 10 1 1 A 17 17 GLU N N 17 122.766 121.166 1.600 1
1 101 . 10 1 1 A 17 17 GLU H H 17 8.641 7.730 0.911 1
1 102 . 10 1 1 A 17 17 GLU CA C 17 58.039 58.773 -0.734 1
1 103 . 10 1 1 A 17 17 GLU HA H 17 4.246 4.071 0.175 1
1 104 . 10 1 1 A 17 17 GLU CB C 17 29.583 29.800 -0.217 1
1 110 . 10 1 1 A 17 17 GLU C C 17 177.145 177.685 -0.540 1
1 111 . 10 1 1 A 18 18 CYS N N 18 114.540 115.907 -1.367 1
1 112 . 10 1 1 A 18 18 CYS H H 18 7.881 8.120 -0.239 1
1 113 . 10 1 1 A 18 18 CYS CA C 18 58.403 59.642 -1.239 1
1 114 . 10 1 1 A 18 18 CYS HA H 18 5.164 4.619 0.545 1
1 115 . 10 1 1 A 18 18 CYS CB C 18 32.532 29.935 2.597 1
1 118 . 10 1 1 A 18 18 CYS C C 18 176.314 175.438 0.876 1
1 119 . 10 1 1 A 19 19 GLY N N 19 113.441 110.346 3.095 1
1 120 . 10 1 1 A 19 19 GLY H H 19 8.210 8.115 0.095 1
1 121 . 10 1 1 A 19 19 GLY CA C 19 46.213 45.051 1.162 1
1 122 . 10 1 1 A 19 19 GLY HA2 H 19 3.866 4.074 -0.208 1
1 123 . 10 1 1 A 19 19 GLY HA3 H 19 4.209 4.090 0.119 1
1 124 . 10 1 1 A 19 19 GLY C C 19 173.754 174.568 -0.814 1
1 125 . 10 1 1 A 20 20 LYS N N 20 122.503 122.431 0.072 1
1 126 . 10 1 1 A 20 20 LYS H H 20 7.874 7.610 0.264 1
1 127 . 10 1 1 A 20 20 LYS CA C 20 57.935 55.747 2.188 1
1 128 . 10 1 1 A 20 20 LYS HA H 20 3.953 4.230 -0.277 1
1 129 . 10 1 1 A 20 20 LYS CB C 20 33.881 32.778 1.103 1
1 141 . 10 1 1 A 20 20 LYS C C 20 173.729 175.780 -2.051 1
1 142 . 10 1 1 A 21 21 ALA N N 21 123.153 128.879 -5.726 1
1 143 . 10 1 1 A 21 21 ALA H H 21 7.808 8.442 -0.634 1
1 144 . 10 1 1 A 21 21 ALA CA C 21 50.379 50.780 -0.401 1
1 145 . 10 1 1 A 21 21 ALA HA H 21 5.019 5.260 -0.241 1
1 146 . 10 1 1 A 21 21 ALA CB C 21 21.933 20.773 1.160 1
1 150 . 10 1 1 A 21 21 ALA C C 21 176.429 176.627 -0.198 1
1 151 . 10 1 1 A 22 22 PHE N N 22 117.263 119.552 -2.289 1
1 152 . 10 1 1 A 22 22 PHE H H 22 8.627 9.166 -0.539 1
1 153 . 10 1 1 A 22 22 PHE CA C 22 57.115 57.006 0.109 1
1 154 . 10 1 1 A 22 22 PHE HA H 22 4.730 5.017 -0.287 1
1 155 . 10 1 1 A 22 22 PHE CB C 22 43.753 43.111 0.642 1
1 168 . 10 1 1 A 22 22 PHE C C 22 175.254 175.949 -0.695 1
1 169 . 10 1 1 A 23 23 ALA CA C 23 53.560 54.372 -0.812 1
1 170 . 10 1 1 A 23 23 ALA HA H 23 4.507 4.436 0.071 1
1 171 . 10 1 1 A 23 23 ALA CB C 23 19.794 20.060 -0.266 1
1 175 . 10 1 1 A 23 23 ALA C C 23 177.450 177.317 0.133 1
1 176 . 10 1 1 A 24 24 ARG N N 24 113.263 117.104 -3.841 1
1 177 . 10 1 1 A 24 24 ARG H H 24 7.468 7.892 -0.424 1
1 178 . 10 1 1 A 24 24 ARG CA C 24 53.899 54.364 -0.465 1
1 179 . 10 1 1 A 24 24 ARG HA H 24 4.741 4.672 0.069 1
1 180 . 10 1 1 A 24 24 ARG CB C 24 33.416 31.695 1.721 1
1 189 . 10 1 1 A 24 24 ARG C C 24 175.564 176.706 -1.142 1
1 190 . 10 1 1 A 25 25 LYS CA C 25 59.220 58.880 0.340 1
1 191 . 10 1 1 A 25 25 LYS HA H 25 3.118 3.356 -0.238 1
1 192 . 10 1 1 A 25 25 LYS CB C 25 31.720 31.886 -0.166 1
1 204 . 10 1 1 A 25 25 LYS C C 25 178.185 178.093 0.092 1
1 205 . 10 1 1 A 26 26 SER N N 26 112.513 116.921 -4.408 1
1 206 . 10 1 1 A 26 26 SER H H 26 8.477 8.120 0.357 1
1 207 . 10 1 1 A 26 26 SER CA C 26 61.122 62.349 -1.227 1
1 208 . 10 1 1 A 26 26 SER HA H 26 3.915 4.047 -0.132 1
1 209 . 10 1 1 A 26 26 SER CB C 26 61.354 63.013 -1.659 1
1 212 . 10 1 1 A 26 26 SER C C 26 177.077 176.160 0.917 1
1 213 . 10 1 1 A 27 27 THR N N 27 117.989 118.124 -0.135 1
1 214 . 10 1 1 A 27 27 THR H H 27 6.929 7.779 -0.850 1
1 215 . 10 1 1 A 27 27 THR CA C 27 65.178 67.022 -1.844 1
1 216 . 10 1 1 A 27 27 THR HA H 27 3.875 3.856 0.019 1
1 217 . 10 1 1 A 27 27 THR CB C 27 67.995 68.362 -0.367 1
1 223 . 10 1 1 A 27 27 THR C C 27 176.325 175.717 0.608 1
1 224 . 10 1 1 A 28 28 LEU N N 28 123.865 120.906 2.959 1
1 225 . 10 1 1 A 28 28 LEU H H 28 7.075 7.422 -0.347 1
1 226 . 10 1 1 A 28 28 LEU CA C 28 58.313 57.640 0.673 1
1 227 . 10 1 1 A 28 28 LEU HA H 28 3.255 2.760 0.495 1
1 228 . 10 1 1 A 28 28 LEU CB C 28 40.195 41.275 -1.080 1
1 241 . 10 1 1 A 28 28 LEU C C 28 177.531 178.414 -0.883 1
1 242 . 10 1 1 A 29 29 ILE N N 29 119.337 119.835 -0.498 1
1 243 . 10 1 1 A 29 29 ILE H H 29 8.208 7.586 0.622 1
1 244 . 10 1 1 A 29 29 ILE CA C 29 64.671 65.289 -0.618 1
1 245 . 10 1 1 A 29 29 ILE HA H 29 3.738 3.483 0.255 1
1 246 . 10 1 1 A 29 29 ILE CB C 29 37.489 37.479 0.010 1
1 259 . 10 1 1 A 29 29 ILE C C 29 179.113 177.697 1.416 1
1 260 . 10 1 1 A 30 30 MET N N 30 117.854 118.192 -0.338 1
1 261 . 10 1 1 A 30 30 MET H H 30 7.452 7.979 -0.527 1
1 262 . 10 1 1 A 30 30 MET CA C 30 58.365 59.194 -0.829 1
1 263 . 10 1 1 A 30 30 MET HA H 30 4.111 4.003 0.108 1
1 264 . 10 1 1 A 30 30 MET CB C 30 32.273 32.604 -0.331 1
1 274 . 10 1 1 A 30 30 MET C C 30 178.944 178.571 0.373 1
1 275 . 10 1 1 A 31 31 HIS N N 31 120.334 119.614 0.720 1
1 276 . 10 1 1 A 31 31 HIS H H 31 7.948 7.664 0.284 1
1 277 . 10 1 1 A 31 31 HIS CA C 31 59.151 59.444 -0.293 1
1 278 . 10 1 1 A 31 31 HIS HA H 31 4.157 4.207 -0.050 1
1 279 . 10 1 1 A 31 31 HIS CB C 31 28.008 29.867 -1.859 1
1 286 . 10 1 1 A 31 31 HIS C C 31 176.320 176.842 -0.522 1
1 287 . 10 1 1 A 32 32 GLN N N 32 115.623 117.291 -1.668 1
1 288 . 10 1 1 A 32 32 GLN H H 32 8.424 8.446 -0.022 1
1 289 . 10 1 1 A 32 32 GLN CA C 32 59.493 59.301 0.192 1
1 290 . 10 1 1 A 32 32 GLN HA H 32 3.663 3.962 -0.299 1
1 291 . 10 1 1 A 32 32 GLN CB C 32 28.305 28.315 -0.010 1
1 300 . 10 1 1 A 32 32 GLN C C 32 177.429 178.563 -1.134 1
1 301 . 10 1 1 A 33 33 ARG N N 33 117.693 119.946 -2.253 1
1 302 . 10 1 1 A 33 33 ARG H H 33 7.178 7.584 -0.406 1
1 303 . 10 1 1 A 33 33 ARG CA C 33 58.554 58.935 -0.381 1
1 304 . 10 1 1 A 33 33 ARG HA H 33 4.136 3.973 0.163 1
1 305 . 10 1 1 A 33 33 ARG CB C 33 30.111 29.869 0.242 1
1 314 . 10 1 1 A 33 33 ARG C C 33 178.642 178.719 -0.077 1
1 315 . 10 1 1 A 34 34 ILE N N 34 116.231 117.983 -1.752 1
1 316 . 10 1 1 A 34 34 ILE H H 34 7.835 7.973 -0.138 1
1 317 . 10 1 1 A 34 34 ILE CA C 34 63.054 64.231 -1.177 1
1 318 . 10 1 1 A 34 34 ILE HA H 34 3.974 3.722 0.252 1
1 319 . 10 1 1 A 34 34 ILE CB C 34 37.687 37.286 0.401 1
1 332 . 10 1 1 A 34 34 ILE C C 34 177.429 176.751 0.678 1
1 333 . 10 1 1 A 35 35 HIS N N 35 117.721 119.537 -1.816 1
1 334 . 10 1 1 A 35 35 HIS H H 35 7.202 7.631 -0.429 1
1 335 . 10 1 1 A 35 35 HIS CA C 35 55.257 55.320 -0.063 1
1 336 . 10 1 1 A 35 35 HIS HA H 35 4.853 4.613 0.240 1
1 337 . 10 1 1 A 35 35 HIS CB C 35 28.493 28.506 -0.013 1
1 344 . 10 1 1 A 35 35 HIS C C 35 175.814 174.328 1.486 1
1 345 . 10 1 1 A 36 36 THR N N 36 111.765 114.306 -2.541 1
1 346 . 10 1 1 A 36 36 THR H H 36 7.763 7.565 0.198 1
1 347 . 10 1 1 A 36 36 THR CA C 36 62.569 61.313 1.256 1
1 348 . 10 1 1 A 36 36 THR HA H 36 4.350 4.409 -0.059 1
1 349 . 10 1 1 A 36 36 THR CB C 36 69.804 71.231 -1.427 1
1 355 . 10 1 1 A 36 36 THR C C 36 175.474 173.794 1.680 1
1 356 . 10 1 1 A 37 37 GLY N N 37 110.608 115.835 -5.227 1
1 357 . 10 1 1 A 37 37 GLY H H 37 8.218 8.523 -0.305 1
1 358 . 10 1 1 A 37 37 GLY CA C 37 45.399 45.505 -0.106 1
1 359 . 10 1 1 A 37 37 GLY HA2 H 37 3.955 3.969 -0.014 1
1 360 . 10 1 1 A 37 37 GLY HA3 H 37 4.026 3.975 0.051 1
1 361 . 10 1 1 A 37 37 GLY C C 37 174.038 174.119 -0.081 1
1 362 . 10 1 1 A 38 38 GLU N N 38 120.485 122.017 -1.532 1
1 363 . 10 1 1 A 38 38 GLU H H 38 8.221 7.845 0.376 1
1 364 . 10 1 1 A 38 38 GLU CA C 38 56.456 56.175 0.281 1
1 365 . 10 1 1 A 38 38 GLU HA H 38 4.219 4.377 -0.158 1
1 366 . 10 1 1 A 38 38 GLU CB C 38 30.482 31.126 -0.644 1
1 371 . 10 1 1 A 38 38 GLU C C 38 176.231 175.744 0.487 1
1 372 . 10 1 1 A 39 39 LYS N N 39 123.785 122.687 1.098 1
1 373 . 10 1 1 A 39 39 LYS H H 39 8.387 8.375 0.012 1
1 374 . 10 1 1 A 39 39 LYS CA C 39 54.108 53.800 0.308 1
1 375 . 10 1 1 A 39 39 LYS HA H 39 4.607 4.763 -0.156 1
1 376 . 10 1 1 A 39 39 LYS CB C 39 32.499 32.804 -0.305 1
1 388 . 10 1 1 A 39 39 LYS C C 39 174.519 175.994 -1.475 1
1 389 . 10 1 1 A 40 40 PRO CA C 40 63.238 64.476 -1.238 1
1 390 . 10 1 1 A 40 40 PRO HA H 40 4.463 4.512 -0.049 1
1 391 . 10 1 1 A 40 40 PRO CB C 40 32.180 31.867 0.313 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.453 46.910 -1.457 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 4.042 3.831 0.211 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 4.042 3.870 0.172 1
1 4 . 11 1 1 A 7 7 GLY C C 7 174.573 174.595 -0.022 1
1 5 . 11 1 1 A 8 8 THR N N 8 112.804 114.228 -1.424 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.143 7.750 0.393 1
1 7 . 11 1 1 A 8 8 THR CA C 8 62.075 60.811 1.264 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.367 4.722 -0.355 1
1 9 . 11 1 1 A 8 8 THR CB C 8 69.768 69.287 0.481 1
1 15 . 11 1 1 A 8 8 THR C C 8 175.337 173.842 1.495 1
1 16 . 11 1 1 A 9 9 GLY N N 9 110.991 112.387 -1.396 1
1 17 . 11 1 1 A 9 9 GLY H H 9 8.462 8.335 0.127 1
1 18 . 11 1 1 A 9 9 GLY CA C 9 45.399 45.918 -0.519 1
1 19 . 11 1 1 A 9 9 GLY HA2 H 9 4.023 4.153 -0.130 1
1 20 . 11 1 1 A 9 9 GLY HA3 H 9 3.951 4.236 -0.285 1
1 21 . 11 1 1 A 9 9 GLY C C 9 174.073 173.937 0.136 1
1 22 . 11 1 1 A 10 10 GLU N N 10 120.581 120.364 0.217 1
1 23 . 11 1 1 A 10 10 GLU H H 10 8.079 8.991 -0.912 1
1 24 . 11 1 1 A 10 10 GLU CA C 10 56.456 58.243 -1.787 1
1 25 . 11 1 1 A 10 10 GLU HA H 10 4.242 3.895 0.347 1
1 26 . 11 1 1 A 10 10 GLU CB C 10 30.527 29.289 1.238 1
1 32 . 11 1 1 A 10 10 GLU C C 10 176.271 178.242 -1.971 1
1 33 . 11 1 1 A 11 11 ARG N N 11 122.007 118.762 3.245 1
1 34 . 11 1 1 A 11 11 ARG H H 11 8.340 7.855 0.485 1
1 35 . 11 1 1 A 11 11 ARG CA C 11 55.538 59.579 -4.041 1
1 36 . 11 1 1 A 11 11 ARG HA H 11 4.226 4.116 0.110 1
1 37 . 11 1 1 A 11 11 ARG CB C 11 30.611 30.061 0.550 1
1 46 . 11 1 1 A 11 11 ARG C C 11 174.992 176.922 -1.930 1
1 47 . 11 1 1 A 12 12 HIS N N 12 119.313 116.329 2.984 1
1 48 . 11 1 1 A 12 12 HIS H H 12 7.928 7.706 0.222 1
1 49 . 11 1 1 A 12 12 HIS CA C 12 55.443 55.415 0.028 1
1 50 . 11 1 1 A 12 12 HIS HA H 12 4.611 5.083 -0.472 1
1 51 . 11 1 1 A 12 12 HIS CB C 12 31.542 30.206 1.336 1
1 58 . 11 1 1 A 12 12 HIS C C 12 173.859 174.561 -0.702 1
1 59 . 11 1 1 A 13 13 TYR N N 13 120.629 123.533 -2.904 1
1 60 . 11 1 1 A 13 13 TYR H H 13 8.698 9.018 -0.320 1
1 61 . 11 1 1 A 13 13 TYR CA C 13 57.583 57.420 0.163 1
1 62 . 11 1 1 A 13 13 TYR HA H 13 4.619 4.907 -0.288 1
1 63 . 11 1 1 A 13 13 TYR CB C 13 39.470 39.960 -0.490 1
1 74 . 11 1 1 A 13 13 TYR C C 13 174.783 175.520 -0.737 1
1 75 . 11 1 1 A 14 14 GLU N N 14 123.865 125.071 -1.206 1
1 76 . 11 1 1 A 14 14 GLU H H 14 8.733 8.856 -0.123 1
1 77 . 11 1 1 A 14 14 GLU CA C 14 55.094 55.538 -0.444 1
1 78 . 11 1 1 A 14 14 GLU HA H 14 4.934 5.109 -0.175 1
1 79 . 11 1 1 A 14 14 GLU CB C 14 32.824 31.175 1.649 1
1 85 . 11 1 1 A 14 14 GLU C C 14 175.407 175.832 -0.425 1
1 86 . 11 1 1 A 15 15 CYS N N 15 126.550 124.298 2.252 1
1 87 . 11 1 1 A 15 15 CYS H H 15 9.243 8.516 0.727 1
1 88 . 11 1 1 A 15 15 CYS CA C 15 59.494 57.885 1.609 1
1 89 . 11 1 1 A 15 15 CYS HA H 15 4.591 4.840 -0.249 1
1 90 . 11 1 1 A 15 15 CYS CB C 15 29.721 29.855 -0.134 1
1 93 . 11 1 1 A 15 15 CYS C C 15 177.448 176.029 1.419 1
1 94 . 11 1 1 A 16 16 SER CA C 16 60.991 59.972 1.019 1
1 95 . 11 1 1 A 16 16 SER HA H 16 4.281 4.389 -0.108 1
1 96 . 11 1 1 A 16 16 SER CB C 16 63.004 62.907 0.097 1
1 99 . 11 1 1 A 16 16 SER C C 16 174.576 175.894 -1.318 1
1 100 . 11 1 1 A 17 17 GLU N N 17 122.766 121.179 1.587 1
1 101 . 11 1 1 A 17 17 GLU H H 17 8.641 7.912 0.729 1
1 102 . 11 1 1 A 17 17 GLU CA C 17 58.039 58.609 -0.570 1
1 103 . 11 1 1 A 17 17 GLU HA H 17 4.246 4.156 0.090 1
1 104 . 11 1 1 A 17 17 GLU CB C 17 29.583 30.068 -0.485 1
1 110 . 11 1 1 A 17 17 GLU C C 17 177.145 177.602 -0.457 1
1 111 . 11 1 1 A 18 18 CYS N N 18 114.540 116.124 -1.584 1
1 112 . 11 1 1 A 18 18 CYS H H 18 7.881 8.136 -0.255 1
1 113 . 11 1 1 A 18 18 CYS CA C 18 58.403 59.703 -1.300 1
1 114 . 11 1 1 A 18 18 CYS HA H 18 5.164 4.705 0.459 1
1 115 . 11 1 1 A 18 18 CYS CB C 18 32.532 30.049 2.483 1
1 118 . 11 1 1 A 18 18 CYS C C 18 176.314 175.659 0.655 1
1 119 . 11 1 1 A 19 19 GLY N N 19 113.441 110.355 3.086 1
1 120 . 11 1 1 A 19 19 GLY H H 19 8.210 8.147 0.063 1
1 121 . 11 1 1 A 19 19 GLY CA C 19 46.213 45.041 1.172 1
1 122 . 11 1 1 A 19 19 GLY HA2 H 19 3.866 4.087 -0.221 1
1 123 . 11 1 1 A 19 19 GLY HA3 H 19 4.209 4.105 0.104 1
1 124 . 11 1 1 A 19 19 GLY C C 19 173.754 174.474 -0.720 1
1 125 . 11 1 1 A 20 20 LYS N N 20 122.503 120.279 2.224 1
1 126 . 11 1 1 A 20 20 LYS H H 20 7.874 7.221 0.653 1
1 127 . 11 1 1 A 20 20 LYS CA C 20 57.935 56.464 1.471 1
1 128 . 11 1 1 A 20 20 LYS HA H 20 3.953 4.201 -0.248 1
1 129 . 11 1 1 A 20 20 LYS CB C 20 33.881 32.831 1.050 1
1 141 . 11 1 1 A 20 20 LYS C C 20 173.729 175.467 -1.738 1
1 142 . 11 1 1 A 21 21 ALA N N 21 123.153 127.729 -4.576 1
1 143 . 11 1 1 A 21 21 ALA H H 21 7.808 8.417 -0.609 1
1 144 . 11 1 1 A 21 21 ALA CA C 21 50.379 50.411 -0.032 1
1 145 . 11 1 1 A 21 21 ALA HA H 21 5.019 5.284 -0.265 1
1 146 . 11 1 1 A 21 21 ALA CB C 21 21.933 20.974 0.959 1
1 150 . 11 1 1 A 21 21 ALA C C 21 176.429 176.637 -0.208 1
1 151 . 11 1 1 A 22 22 PHE N N 22 117.263 119.117 -1.854 1
1 152 . 11 1 1 A 22 22 PHE H H 22 8.627 9.071 -0.444 1
1 153 . 11 1 1 A 22 22 PHE CA C 22 57.115 56.947 0.168 1
1 154 . 11 1 1 A 22 22 PHE HA H 22 4.730 4.992 -0.262 1
1 155 . 11 1 1 A 22 22 PHE CB C 22 43.753 43.153 0.600 1
1 168 . 11 1 1 A 22 22 PHE C C 22 175.254 175.826 -0.572 1
1 169 . 11 1 1 A 23 23 ALA CA C 23 53.560 54.567 -1.007 1
1 170 . 11 1 1 A 23 23 ALA HA H 23 4.507 4.450 0.057 1
1 171 . 11 1 1 A 23 23 ALA CB C 23 19.794 19.709 0.085 1
1 175 . 11 1 1 A 23 23 ALA C C 23 177.450 177.350 0.100 1
1 176 . 11 1 1 A 24 24 ARG N N 24 113.263 117.144 -3.881 1
1 177 . 11 1 1 A 24 24 ARG H H 24 7.468 7.932 -0.464 1
1 178 . 11 1 1 A 24 24 ARG CA C 24 53.899 54.602 -0.703 1
1 179 . 11 1 1 A 24 24 ARG HA H 24 4.741 4.725 0.016 1
1 180 . 11 1 1 A 24 24 ARG CB C 24 33.416 31.938 1.478 1
1 189 . 11 1 1 A 24 24 ARG C C 24 175.564 176.441 -0.877 1
1 190 . 11 1 1 A 25 25 LYS CA C 25 59.220 59.172 0.048 1
1 191 . 11 1 1 A 25 25 LYS HA H 25 3.118 3.307 -0.189 1
1 192 . 11 1 1 A 25 25 LYS CB C 25 31.720 31.781 -0.061 1
1 204 . 11 1 1 A 25 25 LYS C C 25 178.185 177.819 0.366 1
1 205 . 11 1 1 A 26 26 SER N N 26 112.513 114.684 -2.171 1
1 206 . 11 1 1 A 26 26 SER H H 26 8.477 8.286 0.191 1
1 207 . 11 1 1 A 26 26 SER CA C 26 61.122 61.582 -0.460 1
1 208 . 11 1 1 A 26 26 SER HA H 26 3.915 4.088 -0.173 1
1 209 . 11 1 1 A 26 26 SER CB C 26 61.354 62.422 -1.068 1
1 212 . 11 1 1 A 26 26 SER C C 26 177.077 176.904 0.173 1
1 213 . 11 1 1 A 27 27 THR N N 27 117.989 116.905 1.084 1
1 214 . 11 1 1 A 27 27 THR H H 27 6.929 7.929 -1.000 1
1 215 . 11 1 1 A 27 27 THR CA C 27 65.178 67.146 -1.968 1
1 216 . 11 1 1 A 27 27 THR HA H 27 3.875 3.802 0.073 1
1 217 . 11 1 1 A 27 27 THR CB C 27 67.995 68.397 -0.402 1
1 223 . 11 1 1 A 27 27 THR C C 27 176.325 176.020 0.305 1
1 224 . 11 1 1 A 28 28 LEU N N 28 123.865 120.497 3.368 1
1 225 . 11 1 1 A 28 28 LEU H H 28 7.075 7.630 -0.555 1
1 226 . 11 1 1 A 28 28 LEU CA C 28 58.313 57.991 0.322 1
1 227 . 11 1 1 A 28 28 LEU HA H 28 3.255 2.902 0.353 1
1 228 . 11 1 1 A 28 28 LEU CB C 28 40.195 41.355 -1.160 1
1 241 . 11 1 1 A 28 28 LEU C C 28 177.531 178.594 -1.063 1
1 242 . 11 1 1 A 29 29 ILE N N 29 119.337 119.947 -0.610 1
1 243 . 11 1 1 A 29 29 ILE H H 29 8.208 7.645 0.563 1
1 244 . 11 1 1 A 29 29 ILE CA C 29 64.671 65.360 -0.689 1
1 245 . 11 1 1 A 29 29 ILE HA H 29 3.738 3.513 0.225 1
1 246 . 11 1 1 A 29 29 ILE CB C 29 37.489 37.446 0.043 1
1 259 . 11 1 1 A 29 29 ILE C C 29 179.113 177.702 1.411 1
1 260 . 11 1 1 A 30 30 MET N N 30 117.854 117.930 -0.076 1
1 261 . 11 1 1 A 30 30 MET H H 30 7.452 7.955 -0.503 1
1 262 . 11 1 1 A 30 30 MET CA C 30 58.365 58.755 -0.390 1
1 263 . 11 1 1 A 30 30 MET HA H 30 4.111 4.057 0.054 1
1 264 . 11 1 1 A 30 30 MET CB C 30 32.273 31.978 0.295 1
1 274 . 11 1 1 A 30 30 MET C C 30 178.944 178.393 0.551 1
1 275 . 11 1 1 A 31 31 HIS N N 31 120.334 120.111 0.223 1
1 276 . 11 1 1 A 31 31 HIS H H 31 7.948 7.810 0.138 1
1 277 . 11 1 1 A 31 31 HIS CA C 31 59.151 59.257 -0.106 1
1 278 . 11 1 1 A 31 31 HIS HA H 31 4.157 4.189 -0.032 1
1 279 . 11 1 1 A 31 31 HIS CB C 31 28.008 29.650 -1.642 1
1 286 . 11 1 1 A 31 31 HIS C C 31 176.320 177.284 -0.964 1
1 287 . 11 1 1 A 32 32 GLN N N 32 115.623 117.427 -1.804 1
1 288 . 11 1 1 A 32 32 GLN H H 32 8.424 8.535 -0.111 1
1 289 . 11 1 1 A 32 32 GLN CA C 32 59.493 59.248 0.245 1
1 290 . 11 1 1 A 32 32 GLN HA H 32 3.663 3.947 -0.284 1
1 291 . 11 1 1 A 32 32 GLN CB C 32 28.305 28.409 -0.104 1
1 300 . 11 1 1 A 32 32 GLN C C 32 177.429 178.611 -1.182 1
1 301 . 11 1 1 A 33 33 ARG N N 33 117.693 119.825 -2.132 1
1 302 . 11 1 1 A 33 33 ARG H H 33 7.178 7.562 -0.384 1
1 303 . 11 1 1 A 33 33 ARG CA C 33 58.554 59.000 -0.446 1
1 304 . 11 1 1 A 33 33 ARG HA H 33 4.136 4.051 0.085 1
1 305 . 11 1 1 A 33 33 ARG CB C 33 30.111 29.791 0.320 1
1 314 . 11 1 1 A 33 33 ARG C C 33 178.642 178.949 -0.307 1
1 315 . 11 1 1 A 34 34 ILE N N 34 116.231 118.249 -2.018 1
1 316 . 11 1 1 A 34 34 ILE H H 34 7.835 7.901 -0.066 1
1 317 . 11 1 1 A 34 34 ILE CA C 34 63.054 64.312 -1.258 1
1 318 . 11 1 1 A 34 34 ILE HA H 34 3.974 3.718 0.256 1
1 319 . 11 1 1 A 34 34 ILE CB C 34 37.687 37.191 0.496 1
1 332 . 11 1 1 A 34 34 ILE C C 34 177.429 177.596 -0.167 1
1 333 . 11 1 1 A 35 35 HIS N N 35 117.721 120.283 -2.562 1
1 334 . 11 1 1 A 35 35 HIS H H 35 7.202 7.497 -0.295 1
1 335 . 11 1 1 A 35 35 HIS CA C 35 55.257 59.517 -4.260 1
1 336 . 11 1 1 A 35 35 HIS HA H 35 4.853 4.395 0.458 1
1 337 . 11 1 1 A 35 35 HIS CB C 35 28.493 30.143 -1.650 1
1 344 . 11 1 1 A 35 35 HIS C C 35 175.814 176.713 -0.899 1
1 345 . 11 1 1 A 36 36 THR N N 36 111.765 110.088 1.677 1
1 346 . 11 1 1 A 36 36 THR H H 36 7.763 7.573 0.190 1
1 347 . 11 1 1 A 36 36 THR CA C 36 62.569 61.270 1.299 1
1 348 . 11 1 1 A 36 36 THR HA H 36 4.350 4.297 0.053 1
1 349 . 11 1 1 A 36 36 THR CB C 36 69.804 67.696 2.108 1
1 355 . 11 1 1 A 36 36 THR C C 36 175.474 174.358 1.116 1
1 356 . 11 1 1 A 37 37 GLY N N 37 110.608 112.851 -2.243 1
1 357 . 11 1 1 A 37 37 GLY H H 37 8.218 8.297 -0.079 1
1 358 . 11 1 1 A 37 37 GLY CA C 37 45.399 45.813 -0.414 1
1 359 . 11 1 1 A 37 37 GLY HA2 H 37 3.955 4.173 -0.218 1
1 360 . 11 1 1 A 37 37 GLY HA3 H 37 4.026 4.182 -0.156 1
1 361 . 11 1 1 A 37 37 GLY C C 37 174.038 172.515 1.523 1
1 362 . 11 1 1 A 38 38 GLU N N 38 120.485 118.882 1.603 1
1 363 . 11 1 1 A 38 38 GLU H H 38 8.221 8.256 -0.035 1
1 364 . 11 1 1 A 38 38 GLU CA C 38 56.456 54.357 2.099 1
1 365 . 11 1 1 A 38 38 GLU HA H 38 4.219 4.921 -0.702 1
1 366 . 11 1 1 A 38 38 GLU CB C 38 30.482 33.999 -3.517 1
1 371 . 11 1 1 A 38 38 GLU C C 38 176.231 175.293 0.938 1
1 372 . 11 1 1 A 39 39 LYS N N 39 123.785 122.354 1.431 1
1 373 . 11 1 1 A 39 39 LYS H H 39 8.387 8.343 0.044 1
1 374 . 11 1 1 A 39 39 LYS CA C 39 54.108 53.860 0.248 1
1 375 . 11 1 1 A 39 39 LYS HA H 39 4.607 4.687 -0.080 1
1 376 . 11 1 1 A 39 39 LYS CB C 39 32.499 32.063 0.436 1
1 388 . 11 1 1 A 39 39 LYS C C 39 174.519 174.433 0.086 1
1 389 . 11 1 1 A 40 40 PRO CA C 40 63.238 62.249 0.989 1
1 390 . 11 1 1 A 40 40 PRO HA H 40 4.463 4.590 -0.127 1
1 391 . 11 1 1 A 40 40 PRO CB C 40 32.180 32.685 -0.505 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.453 46.039 -0.586 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 4.042 4.245 -0.203 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 4.042 4.246 -0.204 1
1 4 . 12 1 1 A 7 7 GLY C C 7 174.573 174.210 0.363 1
1 5 . 12 1 1 A 8 8 THR N N 8 112.804 112.635 0.169 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.143 8.534 -0.391 1
1 7 . 12 1 1 A 8 8 THR CA C 8 62.075 63.619 -1.544 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.367 4.093 0.274 1
1 9 . 12 1 1 A 8 8 THR CB C 8 69.768 70.039 -0.271 1
1 15 . 12 1 1 A 8 8 THR C C 8 175.337 174.565 0.772 1
1 16 . 12 1 1 A 9 9 GLY N N 9 110.991 111.926 -0.935 1
1 17 . 12 1 1 A 9 9 GLY H H 9 8.462 7.966 0.496 1
1 18 . 12 1 1 A 9 9 GLY CA C 9 45.399 46.626 -1.227 1
1 19 . 12 1 1 A 9 9 GLY HA2 H 9 4.023 3.899 0.124 1
1 20 . 12 1 1 A 9 9 GLY HA3 H 9 3.951 3.941 0.010 1
1 21 . 12 1 1 A 9 9 GLY C C 9 174.073 173.035 1.038 1
1 22 . 12 1 1 A 10 10 GLU N N 10 120.581 121.335 -0.754 1
1 23 . 12 1 1 A 10 10 GLU H H 10 8.079 8.698 -0.619 1
1 24 . 12 1 1 A 10 10 GLU CA C 10 56.456 54.425 2.031 1
1 25 . 12 1 1 A 10 10 GLU HA H 10 4.242 5.133 -0.891 1
1 26 . 12 1 1 A 10 10 GLU CB C 10 30.527 33.871 -3.344 1
1 32 . 12 1 1 A 10 10 GLU C C 10 176.271 176.409 -0.138 1
1 33 . 12 1 1 A 11 11 ARG N N 11 122.007 121.004 1.003 1
1 34 . 12 1 1 A 11 11 ARG H H 11 8.340 8.925 -0.585 1
1 35 . 12 1 1 A 11 11 ARG CA C 11 55.538 56.197 -0.659 1
1 36 . 12 1 1 A 11 11 ARG HA H 11 4.226 4.116 0.110 1
1 37 . 12 1 1 A 11 11 ARG CB C 11 30.611 29.688 0.923 1
1 46 . 12 1 1 A 11 11 ARG C C 11 174.992 176.343 -1.351 1
1 47 . 12 1 1 A 12 12 HIS N N 12 119.313 116.666 2.647 1
1 48 . 12 1 1 A 12 12 HIS H H 12 7.928 8.024 -0.096 1
1 49 . 12 1 1 A 12 12 HIS CA C 12 55.443 55.387 0.056 1
1 50 . 12 1 1 A 12 12 HIS HA H 12 4.611 5.150 -0.539 1
1 51 . 12 1 1 A 12 12 HIS CB C 12 31.542 30.173 1.369 1
1 58 . 12 1 1 A 12 12 HIS C C 12 173.859 174.406 -0.547 1
1 59 . 12 1 1 A 13 13 TYR N N 13 120.629 123.548 -2.919 1
1 60 . 12 1 1 A 13 13 TYR H H 13 8.698 8.960 -0.262 1
1 61 . 12 1 1 A 13 13 TYR CA C 13 57.583 57.286 0.297 1
1 62 . 12 1 1 A 13 13 TYR HA H 13 4.619 4.904 -0.285 1
1 63 . 12 1 1 A 13 13 TYR CB C 13 39.470 39.334 0.136 1
1 74 . 12 1 1 A 13 13 TYR C C 13 174.783 175.459 -0.676 1
1 75 . 12 1 1 A 14 14 GLU N N 14 123.865 125.536 -1.671 1
1 76 . 12 1 1 A 14 14 GLU H H 14 8.733 8.876 -0.143 1
1 77 . 12 1 1 A 14 14 GLU CA C 14 55.094 55.902 -0.808 1
1 78 . 12 1 1 A 14 14 GLU HA H 14 4.934 5.001 -0.067 1
1 79 . 12 1 1 A 14 14 GLU CB C 14 32.824 30.994 1.830 1
1 85 . 12 1 1 A 14 14 GLU C C 14 175.407 175.560 -0.153 1
1 86 . 12 1 1 A 15 15 CYS N N 15 126.550 124.046 2.504 1
1 87 . 12 1 1 A 15 15 CYS H H 15 9.243 8.349 0.894 1
1 88 . 12 1 1 A 15 15 CYS CA C 15 59.494 57.474 2.020 1
1 89 . 12 1 1 A 15 15 CYS HA H 15 4.591 4.901 -0.310 1
1 90 . 12 1 1 A 15 15 CYS CB C 15 29.721 29.820 -0.099 1
1 93 . 12 1 1 A 15 15 CYS C C 15 177.448 175.910 1.538 1
1 94 . 12 1 1 A 16 16 SER CA C 16 60.991 61.534 -0.543 1
1 95 . 12 1 1 A 16 16 SER HA H 16 4.281 4.185 0.096 1
1 96 . 12 1 1 A 16 16 SER CB C 16 63.004 63.135 -0.131 1
1 99 . 12 1 1 A 16 16 SER C C 16 174.576 176.216 -1.640 1
1 100 . 12 1 1 A 17 17 GLU N N 17 122.766 121.240 1.526 1
1 101 . 12 1 1 A 17 17 GLU H H 17 8.641 7.684 0.957 1
1 102 . 12 1 1 A 17 17 GLU CA C 17 58.039 59.008 -0.969 1
1 103 . 12 1 1 A 17 17 GLU HA H 17 4.246 3.955 0.291 1
1 104 . 12 1 1 A 17 17 GLU CB C 17 29.583 29.585 -0.002 1
1 110 . 12 1 1 A 17 17 GLU C C 17 177.145 177.748 -0.603 1
1 111 . 12 1 1 A 18 18 CYS N N 18 114.540 115.548 -1.008 1
1 112 . 12 1 1 A 18 18 CYS H H 18 7.881 8.001 -0.120 1
1 113 . 12 1 1 A 18 18 CYS CA C 18 58.403 59.674 -1.271 1
1 114 . 12 1 1 A 18 18 CYS HA H 18 5.164 4.716 0.448 1
1 115 . 12 1 1 A 18 18 CYS CB C 18 32.532 30.052 2.480 1
1 118 . 12 1 1 A 18 18 CYS C C 18 176.314 175.656 0.658 1
1 119 . 12 1 1 A 19 19 GLY N N 19 113.441 110.133 3.308 1
1 120 . 12 1 1 A 19 19 GLY H H 19 8.210 8.005 0.205 1
1 121 . 12 1 1 A 19 19 GLY CA C 19 46.213 45.009 1.204 1
1 122 . 12 1 1 A 19 19 GLY HA2 H 19 3.866 4.087 -0.221 1
1 123 . 12 1 1 A 19 19 GLY HA3 H 19 4.209 4.100 0.109 1
1 124 . 12 1 1 A 19 19 GLY C C 19 173.754 174.550 -0.796 1
1 125 . 12 1 1 A 20 20 LYS N N 20 122.503 122.569 -0.066 1
1 126 . 12 1 1 A 20 20 LYS H H 20 7.874 7.589 0.285 1
1 127 . 12 1 1 A 20 20 LYS CA C 20 57.935 55.947 1.988 1
1 128 . 12 1 1 A 20 20 LYS HA H 20 3.953 4.095 -0.142 1
1 129 . 12 1 1 A 20 20 LYS CB C 20 33.881 32.434 1.447 1
1 141 . 12 1 1 A 20 20 LYS C C 20 173.729 175.632 -1.903 1
1 142 . 12 1 1 A 21 21 ALA N N 21 123.153 129.013 -5.860 1
1 143 . 12 1 1 A 21 21 ALA H H 21 7.808 8.333 -0.525 1
1 144 . 12 1 1 A 21 21 ALA CA C 21 50.379 50.765 -0.386 1
1 145 . 12 1 1 A 21 21 ALA HA H 21 5.019 5.153 -0.134 1
1 146 . 12 1 1 A 21 21 ALA CB C 21 21.933 20.712 1.221 1
1 150 . 12 1 1 A 21 21 ALA C C 21 176.429 176.652 -0.223 1
1 151 . 12 1 1 A 22 22 PHE N N 22 117.263 119.080 -1.817 1
1 152 . 12 1 1 A 22 22 PHE H H 22 8.627 8.806 -0.179 1
1 153 . 12 1 1 A 22 22 PHE CA C 22 57.115 56.757 0.358 1
1 154 . 12 1 1 A 22 22 PHE HA H 22 4.730 4.987 -0.257 1
1 155 . 12 1 1 A 22 22 PHE CB C 22 43.753 43.432 0.321 1
1 168 . 12 1 1 A 22 22 PHE C C 22 175.254 175.826 -0.572 1
1 169 . 12 1 1 A 23 23 ALA CA C 23 53.560 53.970 -0.410 1
1 170 . 12 1 1 A 23 23 ALA HA H 23 4.507 4.469 0.038 1
1 171 . 12 1 1 A 23 23 ALA CB C 23 19.794 20.540 -0.746 1
1 175 . 12 1 1 A 23 23 ALA C C 23 177.450 177.546 -0.096 1
1 176 . 12 1 1 A 24 24 ARG N N 24 113.263 117.292 -4.029 1
1 177 . 12 1 1 A 24 24 ARG H H 24 7.468 7.856 -0.388 1
1 178 . 12 1 1 A 24 24 ARG CA C 24 53.899 54.995 -1.096 1
1 179 . 12 1 1 A 24 24 ARG HA H 24 4.741 4.654 0.087 1
1 180 . 12 1 1 A 24 24 ARG CB C 24 33.416 31.859 1.557 1
1 189 . 12 1 1 A 24 24 ARG C C 24 175.564 176.420 -0.856 1
1 190 . 12 1 1 A 25 25 LYS CA C 25 59.220 60.027 -0.807 1
1 191 . 12 1 1 A 25 25 LYS HA H 25 3.118 3.277 -0.159 1
1 192 . 12 1 1 A 25 25 LYS CB C 25 31.720 31.974 -0.254 1
1 204 . 12 1 1 A 25 25 LYS C C 25 178.185 178.100 0.085 1
1 205 . 12 1 1 A 26 26 SER N N 26 112.513 116.344 -3.831 1
1 206 . 12 1 1 A 26 26 SER H H 26 8.477 8.073 0.404 1
1 207 . 12 1 1 A 26 26 SER CA C 26 61.122 62.197 -1.075 1
1 208 . 12 1 1 A 26 26 SER HA H 26 3.915 4.043 -0.128 1
1 209 . 12 1 1 A 26 26 SER CB C 26 61.354 63.228 -1.874 1
1 212 . 12 1 1 A 26 26 SER C C 26 177.077 176.030 1.047 1
1 213 . 12 1 1 A 27 27 THR N N 27 117.989 117.283 0.706 1
1 214 . 12 1 1 A 27 27 THR H H 27 6.929 7.948 -1.019 1
1 215 . 12 1 1 A 27 27 THR CA C 27 65.178 67.228 -2.050 1
1 216 . 12 1 1 A 27 27 THR HA H 27 3.875 3.788 0.087 1
1 217 . 12 1 1 A 27 27 THR CB C 27 67.995 68.336 -0.341 1
1 223 . 12 1 1 A 27 27 THR C C 27 176.325 175.980 0.345 1
1 224 . 12 1 1 A 28 28 LEU N N 28 123.865 120.477 3.388 1
1 225 . 12 1 1 A 28 28 LEU H H 28 7.075 7.506 -0.431 1
1 226 . 12 1 1 A 28 28 LEU CA C 28 58.313 58.011 0.302 1
1 227 . 12 1 1 A 28 28 LEU HA H 28 3.255 2.830 0.425 1
1 228 . 12 1 1 A 28 28 LEU CB C 28 40.195 41.409 -1.214 1
1 241 . 12 1 1 A 28 28 LEU C C 28 177.531 178.579 -1.048 1
1 242 . 12 1 1 A 29 29 ILE N N 29 119.337 119.794 -0.457 1
1 243 . 12 1 1 A 29 29 ILE H H 29 8.208 7.581 0.627 1
1 244 . 12 1 1 A 29 29 ILE CA C 29 64.671 65.302 -0.631 1
1 245 . 12 1 1 A 29 29 ILE HA H 29 3.738 3.520 0.218 1
1 246 . 12 1 1 A 29 29 ILE CB C 29 37.489 37.562 -0.073 1
1 259 . 12 1 1 A 29 29 ILE C C 29 179.113 177.697 1.416 1
1 260 . 12 1 1 A 30 30 MET N N 30 117.854 118.195 -0.341 1
1 261 . 12 1 1 A 30 30 MET H H 30 7.452 7.924 -0.472 1
1 262 . 12 1 1 A 30 30 MET CA C 30 58.365 59.020 -0.655 1
1 263 . 12 1 1 A 30 30 MET HA H 30 4.111 3.986 0.125 1
1 264 . 12 1 1 A 30 30 MET CB C 30 32.273 32.340 -0.067 1
1 274 . 12 1 1 A 30 30 MET C C 30 178.944 178.534 0.410 1
1 275 . 12 1 1 A 31 31 HIS N N 31 120.334 119.880 0.454 1
1 276 . 12 1 1 A 31 31 HIS H H 31 7.948 7.768 0.180 1
1 277 . 12 1 1 A 31 31 HIS CA C 31 59.151 59.464 -0.313 1
1 278 . 12 1 1 A 31 31 HIS HA H 31 4.157 4.205 -0.048 1
1 279 . 12 1 1 A 31 31 HIS CB C 31 28.008 29.726 -1.718 1
1 286 . 12 1 1 A 31 31 HIS C C 31 176.320 177.040 -0.720 1
1 287 . 12 1 1 A 32 32 GLN N N 32 115.623 117.526 -1.903 1
1 288 . 12 1 1 A 32 32 GLN H H 32 8.424 8.566 -0.142 1
1 289 . 12 1 1 A 32 32 GLN CA C 32 59.493 59.126 0.367 1
1 290 . 12 1 1 A 32 32 GLN HA H 32 3.663 3.941 -0.278 1
1 291 . 12 1 1 A 32 32 GLN CB C 32 28.305 28.344 -0.039 1
1 300 . 12 1 1 A 32 32 GLN C C 32 177.429 178.629 -1.200 1
1 301 . 12 1 1 A 33 33 ARG N N 33 117.693 119.646 -1.953 1
1 302 . 12 1 1 A 33 33 ARG H H 33 7.178 7.685 -0.507 1
1 303 . 12 1 1 A 33 33 ARG CA C 33 58.554 58.784 -0.230 1
1 304 . 12 1 1 A 33 33 ARG HA H 33 4.136 3.991 0.145 1
1 305 . 12 1 1 A 33 33 ARG CB C 33 30.111 29.786 0.325 1
1 314 . 12 1 1 A 33 33 ARG C C 33 178.642 178.666 -0.024 1
1 315 . 12 1 1 A 34 34 ILE N N 34 116.231 118.303 -2.072 1
1 316 . 12 1 1 A 34 34 ILE H H 34 7.835 7.992 -0.157 1
1 317 . 12 1 1 A 34 34 ILE CA C 34 63.054 64.169 -1.115 1
1 318 . 12 1 1 A 34 34 ILE HA H 34 3.974 3.703 0.271 1
1 319 . 12 1 1 A 34 34 ILE CB C 34 37.687 37.177 0.510 1
1 332 . 12 1 1 A 34 34 ILE C C 34 177.429 177.757 -0.328 1
1 333 . 12 1 1 A 35 35 HIS N N 35 117.721 119.921 -2.200 1
1 334 . 12 1 1 A 35 35 HIS H H 35 7.202 7.681 -0.479 1
1 335 . 12 1 1 A 35 35 HIS CA C 35 55.257 59.084 -3.827 1
1 336 . 12 1 1 A 35 35 HIS HA H 35 4.853 4.402 0.451 1
1 337 . 12 1 1 A 35 35 HIS CB C 35 28.493 30.285 -1.792 1
1 344 . 12 1 1 A 35 35 HIS C C 35 175.814 176.527 -0.713 1
1 345 . 12 1 1 A 36 36 THR N N 36 111.765 111.126 0.639 1
1 346 . 12 1 1 A 36 36 THR H H 36 7.763 7.630 0.133 1
1 347 . 12 1 1 A 36 36 THR CA C 36 62.569 62.872 -0.303 1
1 348 . 12 1 1 A 36 36 THR HA H 36 4.350 4.133 0.217 1
1 349 . 12 1 1 A 36 36 THR CB C 36 69.804 68.469 1.335 1
1 355 . 12 1 1 A 36 36 THR C C 36 175.474 174.597 0.877 1
1 356 . 12 1 1 A 37 37 GLY N N 37 110.608 114.309 -3.701 1
1 357 . 12 1 1 A 37 37 GLY H H 37 8.218 8.239 -0.021 1
1 358 . 12 1 1 A 37 37 GLY CA C 37 45.399 45.497 -0.098 1
1 359 . 12 1 1 A 37 37 GLY HA2 H 37 3.955 3.994 -0.039 1
1 360 . 12 1 1 A 37 37 GLY HA3 H 37 4.026 3.999 0.027 1
1 361 . 12 1 1 A 37 37 GLY C C 37 174.038 174.369 -0.331 1
1 362 . 12 1 1 A 38 38 GLU N N 38 120.485 120.362 0.123 1
1 363 . 12 1 1 A 38 38 GLU H H 38 8.221 8.049 0.172 1
1 364 . 12 1 1 A 38 38 GLU CA C 38 56.456 55.249 1.207 1
1 365 . 12 1 1 A 38 38 GLU HA H 38 4.219 4.888 -0.669 1
1 366 . 12 1 1 A 38 38 GLU CB C 38 30.482 31.868 -1.386 1
1 371 . 12 1 1 A 38 38 GLU C C 38 176.231 175.338 0.893 1
1 372 . 12 1 1 A 39 39 LYS N N 39 123.785 121.699 2.086 1
1 373 . 12 1 1 A 39 39 LYS H H 39 8.387 8.751 -0.364 1
1 374 . 12 1 1 A 39 39 LYS CA C 39 54.108 54.482 -0.374 1
1 375 . 12 1 1 A 39 39 LYS HA H 39 4.607 4.894 -0.287 1
1 376 . 12 1 1 A 39 39 LYS CB C 39 32.499 35.605 -3.106 1
1 388 . 12 1 1 A 39 39 LYS C C 39 174.519 174.265 0.254 1
1 389 . 12 1 1 A 40 40 PRO CA C 40 63.238 62.225 1.013 1
1 390 . 12 1 1 A 40 40 PRO HA H 40 4.463 4.594 -0.131 1
1 391 . 12 1 1 A 40 40 PRO CB C 40 32.180 33.205 -1.025 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.453 44.801 0.652 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 4.042 4.086 -0.044 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 4.042 4.091 -0.049 1
1 4 . 13 1 1 A 7 7 GLY C C 7 174.573 172.022 2.551 1
1 5 . 13 1 1 A 8 8 THR N N 8 112.804 117.379 -4.575 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.143 8.462 -0.319 1
1 7 . 13 1 1 A 8 8 THR CA C 8 62.075 60.558 1.517 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.367 4.735 -0.368 1
1 9 . 13 1 1 A 8 8 THR CB C 8 69.768 69.660 0.108 1
1 15 . 13 1 1 A 8 8 THR C C 8 175.337 174.429 0.908 1
1 16 . 13 1 1 A 9 9 GLY N N 9 110.991 113.004 -2.013 1
1 17 . 13 1 1 A 9 9 GLY H H 9 8.462 8.159 0.303 1
1 18 . 13 1 1 A 9 9 GLY CA C 9 45.399 45.442 -0.043 1
1 19 . 13 1 1 A 9 9 GLY HA2 H 9 4.023 4.003 0.020 1
1 20 . 13 1 1 A 9 9 GLY HA3 H 9 3.951 4.004 -0.053 1
1 21 . 13 1 1 A 9 9 GLY C C 9 174.073 174.834 -0.761 1
1 22 . 13 1 1 A 10 10 GLU N N 10 120.581 120.880 -0.299 1
1 23 . 13 1 1 A 10 10 GLU H H 10 8.079 7.966 0.113 1
1 24 . 13 1 1 A 10 10 GLU CA C 10 56.456 57.408 -0.952 1
1 25 . 13 1 1 A 10 10 GLU HA H 10 4.242 4.309 -0.067 1
1 26 . 13 1 1 A 10 10 GLU CB C 10 30.527 30.293 0.234 1
1 32 . 13 1 1 A 10 10 GLU C C 10 176.271 176.178 0.093 1
1 33 . 13 1 1 A 11 11 ARG N N 11 122.007 125.595 -3.588 1
1 34 . 13 1 1 A 11 11 ARG H H 11 8.340 8.826 -0.486 1
1 35 . 13 1 1 A 11 11 ARG CA C 11 55.538 55.169 0.369 1
1 36 . 13 1 1 A 11 11 ARG HA H 11 4.226 4.574 -0.348 1
1 37 . 13 1 1 A 11 11 ARG CB C 11 30.611 30.385 0.226 1
1 46 . 13 1 1 A 11 11 ARG C C 11 174.992 174.936 0.056 1
1 47 . 13 1 1 A 12 12 HIS N N 12 119.313 122.532 -3.219 1
1 48 . 13 1 1 A 12 12 HIS H H 12 7.928 7.783 0.145 1
1 49 . 13 1 1 A 12 12 HIS CA C 12 55.443 53.612 1.831 1
1 50 . 13 1 1 A 12 12 HIS HA H 12 4.611 5.609 -0.998 1
1 51 . 13 1 1 A 12 12 HIS CB C 12 31.542 32.285 -0.743 1
1 58 . 13 1 1 A 12 12 HIS C C 12 173.859 172.958 0.901 1
1 59 . 13 1 1 A 13 13 TYR N N 13 120.629 127.161 -6.532 1
1 60 . 13 1 1 A 13 13 TYR H H 13 8.698 9.111 -0.413 1
1 61 . 13 1 1 A 13 13 TYR CA C 13 57.583 56.413 1.170 1
1 62 . 13 1 1 A 13 13 TYR HA H 13 4.619 4.971 -0.352 1
1 63 . 13 1 1 A 13 13 TYR CB C 13 39.470 39.439 0.031 1
1 74 . 13 1 1 A 13 13 TYR C C 13 174.783 174.938 -0.155 1
1 75 . 13 1 1 A 14 14 GLU N N 14 123.865 126.129 -2.264 1
1 76 . 13 1 1 A 14 14 GLU H H 14 8.733 8.802 -0.069 1
1 77 . 13 1 1 A 14 14 GLU CA C 14 55.094 56.178 -1.084 1
1 78 . 13 1 1 A 14 14 GLU HA H 14 4.934 5.170 -0.236 1
1 79 . 13 1 1 A 14 14 GLU CB C 14 32.824 30.910 1.914 1
1 85 . 13 1 1 A 14 14 GLU C C 14 175.407 176.056 -0.649 1
1 86 . 13 1 1 A 15 15 CYS N N 15 126.550 124.037 2.513 1
1 87 . 13 1 1 A 15 15 CYS H H 15 9.243 8.606 0.637 1
1 88 . 13 1 1 A 15 15 CYS CA C 15 59.494 58.115 1.379 1
1 89 . 13 1 1 A 15 15 CYS HA H 15 4.591 4.852 -0.261 1
1 90 . 13 1 1 A 15 15 CYS CB C 15 29.721 29.371 0.350 1
1 93 . 13 1 1 A 15 15 CYS C C 15 177.448 176.192 1.256 1
1 94 . 13 1 1 A 16 16 SER CA C 16 60.991 61.381 -0.390 1
1 95 . 13 1 1 A 16 16 SER HA H 16 4.281 4.218 0.063 1
1 96 . 13 1 1 A 16 16 SER CB C 16 63.004 63.066 -0.062 1
1 99 . 13 1 1 A 16 16 SER C C 16 174.576 176.137 -1.561 1
1 100 . 13 1 1 A 17 17 GLU N N 17 122.766 121.129 1.637 1
1 101 . 13 1 1 A 17 17 GLU H H 17 8.641 7.761 0.880 1
1 102 . 13 1 1 A 17 17 GLU CA C 17 58.039 58.928 -0.889 1
1 103 . 13 1 1 A 17 17 GLU HA H 17 4.246 3.974 0.272 1
1 104 . 13 1 1 A 17 17 GLU CB C 17 29.583 29.722 -0.139 1
1 110 . 13 1 1 A 17 17 GLU C C 17 177.145 177.708 -0.563 1
1 111 . 13 1 1 A 18 18 CYS N N 18 114.540 116.197 -1.657 1
1 112 . 13 1 1 A 18 18 CYS H H 18 7.881 8.152 -0.271 1
1 113 . 13 1 1 A 18 18 CYS CA C 18 58.403 59.731 -1.328 1
1 114 . 13 1 1 A 18 18 CYS HA H 18 5.164 4.654 0.510 1
1 115 . 13 1 1 A 18 18 CYS CB C 18 32.532 30.005 2.527 1
1 118 . 13 1 1 A 18 18 CYS C C 18 176.314 175.531 0.783 1
1 119 . 13 1 1 A 19 19 GLY N N 19 113.441 110.174 3.267 1
1 120 . 13 1 1 A 19 19 GLY H H 19 8.210 8.129 0.081 1
1 121 . 13 1 1 A 19 19 GLY CA C 19 46.213 45.095 1.118 1
1 122 . 13 1 1 A 19 19 GLY HA2 H 19 3.866 4.093 -0.227 1
1 123 . 13 1 1 A 19 19 GLY HA3 H 19 4.209 4.115 0.094 1
1 124 . 13 1 1 A 19 19 GLY C C 19 173.754 174.587 -0.833 1
1 125 . 13 1 1 A 20 20 LYS N N 20 122.503 122.564 -0.061 1
1 126 . 13 1 1 A 20 20 LYS H H 20 7.874 7.641 0.233 1
1 127 . 13 1 1 A 20 20 LYS CA C 20 57.935 55.836 2.099 1
1 128 . 13 1 1 A 20 20 LYS HA H 20 3.953 4.183 -0.230 1
1 129 . 13 1 1 A 20 20 LYS CB C 20 33.881 32.792 1.089 1
1 141 . 13 1 1 A 20 20 LYS C C 20 173.729 175.741 -2.012 1
1 142 . 13 1 1 A 21 21 ALA N N 21 123.153 128.782 -5.629 1
1 143 . 13 1 1 A 21 21 ALA H H 21 7.808 8.311 -0.503 1
1 144 . 13 1 1 A 21 21 ALA CA C 21 50.379 50.929 -0.550 1
1 145 . 13 1 1 A 21 21 ALA HA H 21 5.019 5.296 -0.277 1
1 146 . 13 1 1 A 21 21 ALA CB C 21 21.933 20.529 1.404 1
1 150 . 13 1 1 A 21 21 ALA C C 21 176.429 176.569 -0.140 1
1 151 . 13 1 1 A 22 22 PHE N N 22 117.263 117.796 -0.533 1
1 152 . 13 1 1 A 22 22 PHE H H 22 8.627 8.966 -0.339 1
1 153 . 13 1 1 A 22 22 PHE CA C 22 57.115 56.728 0.387 1
1 154 . 13 1 1 A 22 22 PHE HA H 22 4.730 4.965 -0.235 1
1 155 . 13 1 1 A 22 22 PHE CB C 22 43.753 43.769 -0.016 1
1 168 . 13 1 1 A 22 22 PHE C C 22 175.254 175.759 -0.505 1
1 169 . 13 1 1 A 23 23 ALA CA C 23 53.560 53.681 -0.121 1
1 170 . 13 1 1 A 23 23 ALA HA H 23 4.507 4.539 -0.032 1
1 171 . 13 1 1 A 23 23 ALA CB C 23 19.794 20.588 -0.794 1
1 175 . 13 1 1 A 23 23 ALA C C 23 177.450 177.180 0.270 1
1 176 . 13 1 1 A 24 24 ARG N N 24 113.263 117.664 -4.401 1
1 177 . 13 1 1 A 24 24 ARG H H 24 7.468 7.849 -0.381 1
1 178 . 13 1 1 A 24 24 ARG CA C 24 53.899 54.988 -1.089 1
1 179 . 13 1 1 A 24 24 ARG HA H 24 4.741 4.635 0.106 1
1 180 . 13 1 1 A 24 24 ARG CB C 24 33.416 32.219 1.197 1
1 189 . 13 1 1 A 24 24 ARG C C 24 175.564 176.129 -0.565 1
1 190 . 13 1 1 A 25 25 LYS CA C 25 59.220 59.975 -0.755 1
1 191 . 13 1 1 A 25 25 LYS HA H 25 3.118 3.048 0.070 1
1 192 . 13 1 1 A 25 25 LYS CB C 25 31.720 31.469 0.251 1
1 204 . 13 1 1 A 25 25 LYS C C 25 178.185 177.802 0.383 1
1 205 . 13 1 1 A 26 26 SER N N 26 112.513 115.058 -2.545 1
1 206 . 13 1 1 A 26 26 SER H H 26 8.477 8.223 0.254 1
1 207 . 13 1 1 A 26 26 SER CA C 26 61.122 61.255 -0.133 1
1 208 . 13 1 1 A 26 26 SER HA H 26 3.915 4.097 -0.182 1
1 209 . 13 1 1 A 26 26 SER CB C 26 61.354 62.028 -0.674 1
1 212 . 13 1 1 A 26 26 SER C C 26 177.077 176.745 0.332 1
1 213 . 13 1 1 A 27 27 THR N N 27 117.989 116.922 1.067 1
1 214 . 13 1 1 A 27 27 THR H H 27 6.929 7.940 -1.011 1
1 215 . 13 1 1 A 27 27 THR CA C 27 65.178 67.272 -2.094 1
1 216 . 13 1 1 A 27 27 THR HA H 27 3.875 3.822 0.053 1
1 217 . 13 1 1 A 27 27 THR CB C 27 67.995 68.409 -0.414 1
1 223 . 13 1 1 A 27 27 THR C C 27 176.325 176.113 0.212 1
1 224 . 13 1 1 A 28 28 LEU N N 28 123.865 120.618 3.247 1
1 225 . 13 1 1 A 28 28 LEU H H 28 7.075 7.527 -0.452 1
1 226 . 13 1 1 A 28 28 LEU CA C 28 58.313 57.901 0.412 1
1 227 . 13 1 1 A 28 28 LEU HA H 28 3.255 2.594 0.661 1
1 228 . 13 1 1 A 28 28 LEU CB C 28 40.195 41.373 -1.178 1
1 241 . 13 1 1 A 28 28 LEU C C 28 177.531 178.397 -0.866 1
1 242 . 13 1 1 A 29 29 ILE N N 29 119.337 119.769 -0.432 1
1 243 . 13 1 1 A 29 29 ILE H H 29 8.208 7.589 0.619 1
1 244 . 13 1 1 A 29 29 ILE CA C 29 64.671 65.291 -0.620 1
1 245 . 13 1 1 A 29 29 ILE HA H 29 3.738 3.639 0.099 1
1 246 . 13 1 1 A 29 29 ILE CB C 29 37.489 37.513 -0.024 1
1 259 . 13 1 1 A 29 29 ILE C C 29 179.113 177.697 1.416 1
1 260 . 13 1 1 A 30 30 MET N N 30 117.854 118.247 -0.393 1
1 261 . 13 1 1 A 30 30 MET H H 30 7.452 7.952 -0.500 1
1 262 . 13 1 1 A 30 30 MET CA C 30 58.365 58.892 -0.527 1
1 263 . 13 1 1 A 30 30 MET HA H 30 4.111 3.989 0.122 1
1 264 . 13 1 1 A 30 30 MET CB C 30 32.273 32.267 0.006 1
1 274 . 13 1 1 A 30 30 MET C C 30 178.944 178.476 0.468 1
1 275 . 13 1 1 A 31 31 HIS N N 31 120.334 119.767 0.567 1
1 276 . 13 1 1 A 31 31 HIS H H 31 7.948 7.830 0.118 1
1 277 . 13 1 1 A 31 31 HIS CA C 31 59.151 59.310 -0.159 1
1 278 . 13 1 1 A 31 31 HIS HA H 31 4.157 4.145 0.012 1
1 279 . 13 1 1 A 31 31 HIS CB C 31 28.008 29.556 -1.548 1
1 286 . 13 1 1 A 31 31 HIS C C 31 176.320 176.757 -0.437 1
1 287 . 13 1 1 A 32 32 GLN N N 32 115.623 117.449 -1.826 1
1 288 . 13 1 1 A 32 32 GLN H H 32 8.424 8.448 -0.024 1
1 289 . 13 1 1 A 32 32 GLN CA C 32 59.493 59.224 0.269 1
1 290 . 13 1 1 A 32 32 GLN HA H 32 3.663 3.944 -0.281 1
1 291 . 13 1 1 A 32 32 GLN CB C 32 28.305 28.369 -0.064 1
1 300 . 13 1 1 A 32 32 GLN C C 32 177.429 178.521 -1.092 1
1 301 . 13 1 1 A 33 33 ARG N N 33 117.693 119.913 -2.220 1
1 302 . 13 1 1 A 33 33 ARG H H 33 7.178 7.704 -0.526 1
1 303 . 13 1 1 A 33 33 ARG CA C 33 58.554 59.127 -0.573 1
1 304 . 13 1 1 A 33 33 ARG HA H 33 4.136 3.940 0.196 1
1 305 . 13 1 1 A 33 33 ARG CB C 33 30.111 29.841 0.270 1
1 314 . 13 1 1 A 33 33 ARG C C 33 178.642 178.510 0.132 1
1 315 . 13 1 1 A 34 34 ILE N N 34 116.231 118.054 -1.823 1
1 316 . 13 1 1 A 34 34 ILE H H 34 7.835 8.116 -0.281 1
1 317 . 13 1 1 A 34 34 ILE CA C 34 63.054 64.280 -1.226 1
1 318 . 13 1 1 A 34 34 ILE HA H 34 3.974 3.745 0.229 1
1 319 . 13 1 1 A 34 34 ILE CB C 34 37.687 37.202 0.485 1
1 332 . 13 1 1 A 34 34 ILE C C 34 177.429 177.703 -0.274 1
1 333 . 13 1 1 A 35 35 HIS N N 35 117.721 119.669 -1.948 1
1 334 . 13 1 1 A 35 35 HIS H H 35 7.202 7.633 -0.431 1
1 335 . 13 1 1 A 35 35 HIS CA C 35 55.257 58.812 -3.555 1
1 336 . 13 1 1 A 35 35 HIS HA H 35 4.853 4.376 0.477 1
1 337 . 13 1 1 A 35 35 HIS CB C 35 28.493 30.160 -1.667 1
1 344 . 13 1 1 A 35 35 HIS C C 35 175.814 176.603 -0.789 1
1 345 . 13 1 1 A 36 36 THR N N 36 111.765 111.759 0.006 1
1 346 . 13 1 1 A 36 36 THR H H 36 7.763 7.555 0.208 1
1 347 . 13 1 1 A 36 36 THR CA C 36 62.569 63.544 -0.975 1
1 348 . 13 1 1 A 36 36 THR HA H 36 4.350 4.030 0.320 1
1 349 . 13 1 1 A 36 36 THR CB C 36 69.804 69.111 0.693 1
1 355 . 13 1 1 A 36 36 THR C C 36 175.474 174.803 0.671 1
1 356 . 13 1 1 A 37 37 GLY N N 37 110.608 114.936 -4.328 1
1 357 . 13 1 1 A 37 37 GLY H H 37 8.218 8.407 -0.189 1
1 358 . 13 1 1 A 37 37 GLY CA C 37 45.399 45.307 0.092 1
1 359 . 13 1 1 A 37 37 GLY HA2 H 37 3.955 4.168 -0.213 1
1 360 . 13 1 1 A 37 37 GLY HA3 H 37 4.026 4.170 -0.144 1
1 361 . 13 1 1 A 37 37 GLY C C 37 174.038 174.199 -0.161 1
1 362 . 13 1 1 A 38 38 GLU N N 38 120.485 119.602 0.883 1
1 363 . 13 1 1 A 38 38 GLU H H 38 8.221 7.881 0.340 1
1 364 . 13 1 1 A 38 38 GLU CA C 38 56.456 55.530 0.926 1
1 365 . 13 1 1 A 38 38 GLU HA H 38 4.219 4.457 -0.238 1
1 366 . 13 1 1 A 38 38 GLU CB C 38 30.482 29.096 1.386 1
1 371 . 13 1 1 A 38 38 GLU C C 38 176.231 175.090 1.141 1
1 372 . 13 1 1 A 39 39 LYS N N 39 123.785 119.928 3.857 1
1 373 . 13 1 1 A 39 39 LYS H H 39 8.387 8.451 -0.064 1
1 374 . 13 1 1 A 39 39 LYS CA C 39 54.108 53.436 0.672 1
1 375 . 13 1 1 A 39 39 LYS HA H 39 4.607 5.104 -0.497 1
1 376 . 13 1 1 A 39 39 LYS CB C 39 32.499 35.387 -2.888 1
1 388 . 13 1 1 A 39 39 LYS C C 39 174.519 174.129 0.390 1
1 389 . 13 1 1 A 40 40 PRO CA C 40 63.238 62.860 0.378 1
1 390 . 13 1 1 A 40 40 PRO HA H 40 4.463 4.442 0.021 1
1 391 . 13 1 1 A 40 40 PRO CB C 40 32.180 32.028 0.152 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.453 45.940 -0.487 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 4.042 4.072 -0.030 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 4.042 4.075 -0.033 1
1 4 . 14 1 1 A 7 7 GLY C C 7 174.573 174.502 0.071 1
1 5 . 14 1 1 A 8 8 THR N N 8 112.804 115.779 -2.975 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.143 7.657 0.486 1
1 7 . 14 1 1 A 8 8 THR CA C 8 62.075 63.761 -1.686 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.367 3.969 0.398 1
1 9 . 14 1 1 A 8 8 THR CB C 8 69.768 68.786 0.982 1
1 15 . 14 1 1 A 8 8 THR C C 8 175.337 175.758 -0.421 1
1 16 . 14 1 1 A 9 9 GLY N N 9 110.991 115.575 -4.584 1
1 17 . 14 1 1 A 9 9 GLY H H 9 8.462 8.983 -0.521 1
1 18 . 14 1 1 A 9 9 GLY CA C 9 45.399 45.361 0.038 1
1 19 . 14 1 1 A 9 9 GLY HA2 H 9 4.023 4.042 -0.019 1
1 20 . 14 1 1 A 9 9 GLY HA3 H 9 3.951 4.049 -0.098 1
1 21 . 14 1 1 A 9 9 GLY C C 9 174.073 174.975 -0.902 1
1 22 . 14 1 1 A 10 10 GLU N N 10 120.581 121.625 -1.044 1
1 23 . 14 1 1 A 10 10 GLU H H 10 8.079 8.998 -0.919 1
1 24 . 14 1 1 A 10 10 GLU CA C 10 56.456 56.019 0.437 1
1 25 . 14 1 1 A 10 10 GLU HA H 10 4.242 4.633 -0.391 1
1 26 . 14 1 1 A 10 10 GLU CB C 10 30.527 29.564 0.963 1
1 32 . 14 1 1 A 10 10 GLU C C 10 176.271 176.214 0.057 1
1 33 . 14 1 1 A 11 11 ARG N N 11 122.007 119.318 2.689 1
1 34 . 14 1 1 A 11 11 ARG H H 11 8.340 7.829 0.511 1
1 35 . 14 1 1 A 11 11 ARG CA C 11 55.538 55.072 0.466 1
1 36 . 14 1 1 A 11 11 ARG HA H 11 4.226 4.423 -0.197 1
1 37 . 14 1 1 A 11 11 ARG CB C 11 30.611 30.264 0.347 1
1 46 . 14 1 1 A 11 11 ARG C C 11 174.992 174.856 0.136 1
1 47 . 14 1 1 A 12 12 HIS N N 12 119.313 122.376 -3.063 1
1 48 . 14 1 1 A 12 12 HIS H H 12 7.928 8.589 -0.661 1
1 49 . 14 1 1 A 12 12 HIS CA C 12 55.443 54.763 0.680 1
1 50 . 14 1 1 A 12 12 HIS HA H 12 4.611 5.406 -0.795 1
1 51 . 14 1 1 A 12 12 HIS CB C 12 31.542 31.151 0.391 1
1 58 . 14 1 1 A 12 12 HIS C C 12 173.859 173.128 0.731 1
1 59 . 14 1 1 A 13 13 TYR N N 13 120.629 127.032 -6.403 1
1 60 . 14 1 1 A 13 13 TYR H H 13 8.698 9.282 -0.584 1
1 61 . 14 1 1 A 13 13 TYR CA C 13 57.583 57.173 0.410 1
1 62 . 14 1 1 A 13 13 TYR HA H 13 4.619 5.090 -0.471 1
1 63 . 14 1 1 A 13 13 TYR CB C 13 39.470 40.572 -1.102 1
1 74 . 14 1 1 A 13 13 TYR C C 13 174.783 175.001 -0.218 1
1 75 . 14 1 1 A 14 14 GLU N N 14 123.865 124.864 -0.999 1
1 76 . 14 1 1 A 14 14 GLU H H 14 8.733 9.136 -0.403 1
1 77 . 14 1 1 A 14 14 GLU CA C 14 55.094 54.994 0.100 1
1 78 . 14 1 1 A 14 14 GLU HA H 14 4.934 5.411 -0.477 1
1 79 . 14 1 1 A 14 14 GLU CB C 14 32.824 32.118 0.706 1
1 85 . 14 1 1 A 14 14 GLU C C 14 175.407 175.874 -0.467 1
1 86 . 14 1 1 A 15 15 CYS N N 15 126.550 124.273 2.277 1
1 87 . 14 1 1 A 15 15 CYS H H 15 9.243 8.830 0.413 1
1 88 . 14 1 1 A 15 15 CYS CA C 15 59.494 58.190 1.304 1
1 89 . 14 1 1 A 15 15 CYS HA H 15 4.591 4.763 -0.172 1
1 90 . 14 1 1 A 15 15 CYS CB C 15 29.721 28.989 0.732 1
1 93 . 14 1 1 A 15 15 CYS C C 15 177.448 176.292 1.156 1
1 94 . 14 1 1 A 16 16 SER CA C 16 60.991 60.750 0.241 1
1 95 . 14 1 1 A 16 16 SER HA H 16 4.281 4.233 0.048 1
1 96 . 14 1 1 A 16 16 SER CB C 16 63.004 62.989 0.015 1
1 99 . 14 1 1 A 16 16 SER C C 16 174.576 175.837 -1.261 1
1 100 . 14 1 1 A 17 17 GLU N N 17 122.766 121.366 1.400 1
1 101 . 14 1 1 A 17 17 GLU H H 17 8.641 7.752 0.889 1
1 102 . 14 1 1 A 17 17 GLU CA C 17 58.039 58.866 -0.827 1
1 103 . 14 1 1 A 17 17 GLU HA H 17 4.246 4.065 0.181 1
1 104 . 14 1 1 A 17 17 GLU CB C 17 29.583 29.811 -0.228 1
1 110 . 14 1 1 A 17 17 GLU C C 17 177.145 177.719 -0.574 1
1 111 . 14 1 1 A 18 18 CYS N N 18 114.540 115.702 -1.162 1
1 112 . 14 1 1 A 18 18 CYS H H 18 7.881 8.154 -0.273 1
1 113 . 14 1 1 A 18 18 CYS CA C 18 58.403 59.843 -1.440 1
1 114 . 14 1 1 A 18 18 CYS HA H 18 5.164 4.676 0.488 1
1 115 . 14 1 1 A 18 18 CYS CB C 18 32.532 29.907 2.625 1
1 118 . 14 1 1 A 18 18 CYS C C 18 176.314 175.432 0.882 1
1 119 . 14 1 1 A 19 19 GLY N N 19 113.441 110.062 3.379 1
1 120 . 14 1 1 A 19 19 GLY H H 19 8.210 8.088 0.122 1
1 121 . 14 1 1 A 19 19 GLY CA C 19 46.213 44.881 1.332 1
1 122 . 14 1 1 A 19 19 GLY HA2 H 19 3.866 4.078 -0.212 1
1 123 . 14 1 1 A 19 19 GLY HA3 H 19 4.209 4.092 0.117 1
1 124 . 14 1 1 A 19 19 GLY C C 19 173.754 174.592 -0.838 1
1 125 . 14 1 1 A 20 20 LYS N N 20 122.503 122.543 -0.040 1
1 126 . 14 1 1 A 20 20 LYS H H 20 7.874 7.602 0.272 1
1 127 . 14 1 1 A 20 20 LYS CA C 20 57.935 55.927 2.008 1
1 128 . 14 1 1 A 20 20 LYS HA H 20 3.953 4.105 -0.152 1
1 129 . 14 1 1 A 20 20 LYS CB C 20 33.881 32.651 1.230 1
1 141 . 14 1 1 A 20 20 LYS C C 20 173.729 175.603 -1.874 1
1 142 . 14 1 1 A 21 21 ALA N N 21 123.153 128.698 -5.545 1
1 143 . 14 1 1 A 21 21 ALA H H 21 7.808 8.277 -0.469 1
1 144 . 14 1 1 A 21 21 ALA CA C 21 50.379 51.086 -0.707 1
1 145 . 14 1 1 A 21 21 ALA HA H 21 5.019 5.215 -0.196 1
1 146 . 14 1 1 A 21 21 ALA CB C 21 21.933 20.949 0.984 1
1 150 . 14 1 1 A 21 21 ALA C C 21 176.429 176.605 -0.176 1
1 151 . 14 1 1 A 22 22 PHE N N 22 117.263 118.188 -0.925 1
1 152 . 14 1 1 A 22 22 PHE H H 22 8.627 9.169 -0.542 1
1 153 . 14 1 1 A 22 22 PHE CA C 22 57.115 56.831 0.284 1
1 154 . 14 1 1 A 22 22 PHE HA H 22 4.730 4.902 -0.172 1
1 155 . 14 1 1 A 22 22 PHE CB C 22 43.753 43.117 0.636 1
1 168 . 14 1 1 A 22 22 PHE C C 22 175.254 175.207 0.047 1
1 169 . 14 1 1 A 23 23 ALA CA C 23 53.560 54.460 -0.900 1
1 170 . 14 1 1 A 23 23 ALA HA H 23 4.507 3.934 0.573 1
1 171 . 14 1 1 A 23 23 ALA CB C 23 19.794 19.537 0.257 1
1 175 . 14 1 1 A 23 23 ALA C C 23 177.450 177.483 -0.033 1
1 176 . 14 1 1 A 24 24 ARG N N 24 113.263 117.067 -3.804 1
1 177 . 14 1 1 A 24 24 ARG H H 24 7.468 7.794 -0.326 1
1 178 . 14 1 1 A 24 24 ARG CA C 24 53.899 54.698 -0.799 1
1 179 . 14 1 1 A 24 24 ARG HA H 24 4.741 4.635 0.106 1
1 180 . 14 1 1 A 24 24 ARG CB C 24 33.416 31.809 1.607 1
1 189 . 14 1 1 A 24 24 ARG C C 24 175.564 176.581 -1.017 1
1 190 . 14 1 1 A 25 25 LYS CA C 25 59.220 59.354 -0.134 1
1 191 . 14 1 1 A 25 25 LYS HA H 25 3.118 3.179 -0.061 1
1 192 . 14 1 1 A 25 25 LYS CB C 25 31.720 31.578 0.142 1
1 204 . 14 1 1 A 25 25 LYS C C 25 178.185 177.733 0.452 1
1 205 . 14 1 1 A 26 26 SER N N 26 112.513 114.185 -1.672 1
1 206 . 14 1 1 A 26 26 SER H H 26 8.477 7.682 0.795 1
1 207 . 14 1 1 A 26 26 SER CA C 26 61.122 61.541 -0.419 1
1 208 . 14 1 1 A 26 26 SER HA H 26 3.915 4.031 -0.116 1
1 209 . 14 1 1 A 26 26 SER CB C 26 61.354 63.129 -1.775 1
1 212 . 14 1 1 A 26 26 SER C C 26 177.077 176.984 0.093 1
1 213 . 14 1 1 A 27 27 THR N N 27 117.989 115.873 2.116 1
1 214 . 14 1 1 A 27 27 THR H H 27 6.929 8.125 -1.196 1
1 215 . 14 1 1 A 27 27 THR CA C 27 65.178 66.924 -1.746 1
1 216 . 14 1 1 A 27 27 THR HA H 27 3.875 3.804 0.071 1
1 217 . 14 1 1 A 27 27 THR CB C 27 67.995 68.468 -0.473 1
1 223 . 14 1 1 A 27 27 THR C C 27 176.325 175.707 0.618 1
1 224 . 14 1 1 A 28 28 LEU N N 28 123.865 120.394 3.471 1
1 225 . 14 1 1 A 28 28 LEU H H 28 7.075 7.268 -0.193 1
1 226 . 14 1 1 A 28 28 LEU CA C 28 58.313 57.710 0.603 1
1 227 . 14 1 1 A 28 28 LEU HA H 28 3.255 2.669 0.586 1
1 228 . 14 1 1 A 28 28 LEU CB C 28 40.195 41.314 -1.119 1
1 241 . 14 1 1 A 28 28 LEU C C 28 177.531 178.414 -0.883 1
1 242 . 14 1 1 A 29 29 ILE N N 29 119.337 119.716 -0.379 1
1 243 . 14 1 1 A 29 29 ILE H H 29 8.208 8.193 0.015 1
1 244 . 14 1 1 A 29 29 ILE CA C 29 64.671 64.852 -0.181 1
1 245 . 14 1 1 A 29 29 ILE HA H 29 3.738 3.497 0.241 1
1 246 . 14 1 1 A 29 29 ILE CB C 29 37.489 37.593 -0.104 1
1 259 . 14 1 1 A 29 29 ILE C C 29 179.113 177.811 1.302 1
1 260 . 14 1 1 A 30 30 MET N N 30 117.854 117.912 -0.058 1
1 261 . 14 1 1 A 30 30 MET H H 30 7.452 8.014 -0.562 1
1 262 . 14 1 1 A 30 30 MET CA C 30 58.365 58.992 -0.627 1
1 263 . 14 1 1 A 30 30 MET HA H 30 4.111 3.978 0.133 1
1 264 . 14 1 1 A 30 30 MET CB C 30 32.273 32.112 0.161 1
1 274 . 14 1 1 A 30 30 MET C C 30 178.944 178.464 0.480 1
1 275 . 14 1 1 A 31 31 HIS N N 31 120.334 119.861 0.473 1
1 276 . 14 1 1 A 31 31 HIS H H 31 7.948 7.895 0.053 1
1 277 . 14 1 1 A 31 31 HIS CA C 31 59.151 59.461 -0.310 1
1 278 . 14 1 1 A 31 31 HIS HA H 31 4.157 4.197 -0.040 1
1 279 . 14 1 1 A 31 31 HIS CB C 31 28.008 29.688 -1.680 1
1 286 . 14 1 1 A 31 31 HIS C C 31 176.320 176.879 -0.559 1
1 287 . 14 1 1 A 32 32 GLN N N 32 115.623 117.352 -1.729 1
1 288 . 14 1 1 A 32 32 GLN H H 32 8.424 8.532 -0.108 1
1 289 . 14 1 1 A 32 32 GLN CA C 32 59.493 59.341 0.152 1
1 290 . 14 1 1 A 32 32 GLN HA H 32 3.663 3.992 -0.329 1
1 291 . 14 1 1 A 32 32 GLN CB C 32 28.305 28.398 -0.093 1
1 300 . 14 1 1 A 32 32 GLN C C 32 177.429 178.663 -1.234 1
1 301 . 14 1 1 A 33 33 ARG N N 33 117.693 119.816 -2.123 1
1 302 . 14 1 1 A 33 33 ARG H H 33 7.178 8.033 -0.855 1
1 303 . 14 1 1 A 33 33 ARG CA C 33 58.554 58.888 -0.334 1
1 304 . 14 1 1 A 33 33 ARG HA H 33 4.136 4.034 0.102 1
1 305 . 14 1 1 A 33 33 ARG CB C 33 30.111 29.878 0.233 1
1 314 . 14 1 1 A 33 33 ARG C C 33 178.642 178.899 -0.257 1
1 315 . 14 1 1 A 34 34 ILE N N 34 116.231 118.246 -2.015 1
1 316 . 14 1 1 A 34 34 ILE H H 34 7.835 8.117 -0.282 1
1 317 . 14 1 1 A 34 34 ILE CA C 34 63.054 64.295 -1.241 1
1 318 . 14 1 1 A 34 34 ILE HA H 34 3.974 3.719 0.255 1
1 319 . 14 1 1 A 34 34 ILE CB C 34 37.687 37.193 0.494 1
1 332 . 14 1 1 A 34 34 ILE C C 34 177.429 177.625 -0.196 1
1 333 . 14 1 1 A 35 35 HIS N N 35 117.721 120.063 -2.342 1
1 334 . 14 1 1 A 35 35 HIS H H 35 7.202 7.380 -0.178 1
1 335 . 14 1 1 A 35 35 HIS CA C 35 55.257 58.740 -3.483 1
1 336 . 14 1 1 A 35 35 HIS HA H 35 4.853 4.403 0.450 1
1 337 . 14 1 1 A 35 35 HIS CB C 35 28.493 30.335 -1.842 1
1 344 . 14 1 1 A 35 35 HIS C C 35 175.814 176.639 -0.825 1
1 345 . 14 1 1 A 36 36 THR N N 36 111.765 110.926 0.839 1
1 346 . 14 1 1 A 36 36 THR H H 36 7.763 7.962 -0.199 1
1 347 . 14 1 1 A 36 36 THR CA C 36 62.569 61.709 0.860 1
1 348 . 14 1 1 A 36 36 THR HA H 36 4.350 4.259 0.091 1
1 349 . 14 1 1 A 36 36 THR CB C 36 69.804 68.038 1.766 1
1 355 . 14 1 1 A 36 36 THR C C 36 175.474 174.623 0.851 1
1 356 . 14 1 1 A 37 37 GLY N N 37 110.608 112.928 -2.320 1
1 357 . 14 1 1 A 37 37 GLY H H 37 8.218 8.551 -0.333 1
1 358 . 14 1 1 A 37 37 GLY CA C 37 45.399 45.828 -0.429 1
1 359 . 14 1 1 A 37 37 GLY HA2 H 37 3.955 3.964 -0.009 1
1 360 . 14 1 1 A 37 37 GLY HA3 H 37 4.026 3.971 0.055 1
1 361 . 14 1 1 A 37 37 GLY C C 37 174.038 174.690 -0.652 1
1 362 . 14 1 1 A 38 38 GLU N N 38 120.485 121.002 -0.517 1
1 363 . 14 1 1 A 38 38 GLU H H 38 8.221 7.628 0.593 1
1 364 . 14 1 1 A 38 38 GLU CA C 38 56.456 57.274 -0.818 1
1 365 . 14 1 1 A 38 38 GLU HA H 38 4.219 4.280 -0.061 1
1 366 . 14 1 1 A 38 38 GLU CB C 38 30.482 30.209 0.273 1
1 371 . 14 1 1 A 38 38 GLU C C 38 176.231 176.059 0.172 1
1 372 . 14 1 1 A 39 39 LYS N N 39 123.785 122.971 0.814 1
1 373 . 14 1 1 A 39 39 LYS H H 39 8.387 8.553 -0.166 1
1 374 . 14 1 1 A 39 39 LYS CA C 39 54.108 54.130 -0.022 1
1 375 . 14 1 1 A 39 39 LYS HA H 39 4.607 4.564 0.043 1
1 376 . 14 1 1 A 39 39 LYS CB C 39 32.499 31.938 0.561 1
1 388 . 14 1 1 A 39 39 LYS C C 39 174.519 174.529 -0.010 1
1 389 . 14 1 1 A 40 40 PRO CA C 40 63.238 62.251 0.987 1
1 390 . 14 1 1 A 40 40 PRO HA H 40 4.463 4.585 -0.122 1
1 391 . 14 1 1 A 40 40 PRO CB C 40 32.180 32.594 -0.414 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.453 44.636 0.817 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 4.042 4.119 -0.077 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 4.042 4.121 -0.079 1
1 4 . 15 1 1 A 7 7 GLY C C 7 174.573 174.239 0.334 1
1 5 . 15 1 1 A 8 8 THR N N 8 112.804 117.777 -4.973 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.143 8.843 -0.700 1
1 7 . 15 1 1 A 8 8 THR CA C 8 62.075 61.894 0.181 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.367 4.329 0.038 1
1 9 . 15 1 1 A 8 8 THR CB C 8 69.768 70.110 -0.342 1
1 15 . 15 1 1 A 8 8 THR C C 8 175.337 174.053 1.284 1
1 16 . 15 1 1 A 9 9 GLY N N 9 110.991 109.448 1.543 1
1 17 . 15 1 1 A 9 9 GLY H H 9 8.462 8.331 0.131 1
1 18 . 15 1 1 A 9 9 GLY CA C 9 45.399 46.235 -0.836 1
1 19 . 15 1 1 A 9 9 GLY HA2 H 9 4.023 4.184 -0.161 1
1 20 . 15 1 1 A 9 9 GLY HA3 H 9 3.951 4.185 -0.234 1
1 21 . 15 1 1 A 9 9 GLY C C 9 174.073 172.962 1.111 1
1 22 . 15 1 1 A 10 10 GLU N N 10 120.581 120.172 0.409 1
1 23 . 15 1 1 A 10 10 GLU H H 10 8.079 8.177 -0.098 1
1 24 . 15 1 1 A 10 10 GLU CA C 10 56.456 55.882 0.574 1
1 25 . 15 1 1 A 10 10 GLU HA H 10 4.242 4.533 -0.291 1
1 26 . 15 1 1 A 10 10 GLU CB C 10 30.527 29.808 0.719 1
1 32 . 15 1 1 A 10 10 GLU C C 10 176.271 175.717 0.554 1
1 33 . 15 1 1 A 11 11 ARG N N 11 122.007 125.040 -3.033 1
1 34 . 15 1 1 A 11 11 ARG H H 11 8.340 9.004 -0.664 1
1 35 . 15 1 1 A 11 11 ARG CA C 11 55.538 55.262 0.276 1
1 36 . 15 1 1 A 11 11 ARG HA H 11 4.226 4.597 -0.371 1
1 37 . 15 1 1 A 11 11 ARG CB C 11 30.611 29.974 0.637 1
1 46 . 15 1 1 A 11 11 ARG C C 11 174.992 175.554 -0.562 1
1 47 . 15 1 1 A 12 12 HIS N N 12 119.313 120.765 -1.452 1
1 48 . 15 1 1 A 12 12 HIS H H 12 7.928 8.702 -0.774 1
1 49 . 15 1 1 A 12 12 HIS CA C 12 55.443 54.253 1.190 1
1 50 . 15 1 1 A 12 12 HIS HA H 12 4.611 5.981 -1.370 1
1 51 . 15 1 1 A 12 12 HIS CB C 12 31.542 31.415 0.127 1
1 58 . 15 1 1 A 12 12 HIS C C 12 173.859 173.849 0.010 1
1 59 . 15 1 1 A 13 13 TYR N N 13 120.629 124.436 -3.807 1
1 60 . 15 1 1 A 13 13 TYR H H 13 8.698 9.536 -0.838 1
1 61 . 15 1 1 A 13 13 TYR CA C 13 57.583 58.016 -0.433 1
1 62 . 15 1 1 A 13 13 TYR HA H 13 4.619 4.804 -0.185 1
1 63 . 15 1 1 A 13 13 TYR CB C 13 39.470 39.311 0.159 1
1 74 . 15 1 1 A 13 13 TYR C C 13 174.783 175.697 -0.914 1
1 75 . 15 1 1 A 14 14 GLU N N 14 123.865 125.392 -1.527 1
1 76 . 15 1 1 A 14 14 GLU H H 14 8.733 8.860 -0.127 1
1 77 . 15 1 1 A 14 14 GLU CA C 14 55.094 55.750 -0.656 1
1 78 . 15 1 1 A 14 14 GLU HA H 14 4.934 5.065 -0.131 1
1 79 . 15 1 1 A 14 14 GLU CB C 14 32.824 30.988 1.836 1
1 85 . 15 1 1 A 14 14 GLU C C 14 175.407 175.294 0.113 1
1 86 . 15 1 1 A 15 15 CYS N N 15 126.550 123.905 2.645 1
1 87 . 15 1 1 A 15 15 CYS H H 15 9.243 8.407 0.836 1
1 88 . 15 1 1 A 15 15 CYS CA C 15 59.494 57.512 1.982 1
1 89 . 15 1 1 A 15 15 CYS HA H 15 4.591 4.962 -0.371 1
1 90 . 15 1 1 A 15 15 CYS CB C 15 29.721 30.022 -0.301 1
1 93 . 15 1 1 A 15 15 CYS C C 15 177.448 175.455 1.993 1
1 94 . 15 1 1 A 16 16 SER CA C 16 60.991 61.049 -0.058 1
1 95 . 15 1 1 A 16 16 SER HA H 16 4.281 4.132 0.149 1
1 96 . 15 1 1 A 16 16 SER CB C 16 63.004 62.648 0.356 1
1 99 . 15 1 1 A 16 16 SER C C 16 174.576 176.144 -1.568 1
1 100 . 15 1 1 A 17 17 GLU N N 17 122.766 121.501 1.265 1
1 101 . 15 1 1 A 17 17 GLU H H 17 8.641 7.756 0.885 1
1 102 . 15 1 1 A 17 17 GLU CA C 17 58.039 59.009 -0.970 1
1 103 . 15 1 1 A 17 17 GLU HA H 17 4.246 3.981 0.265 1
1 104 . 15 1 1 A 17 17 GLU CB C 17 29.583 29.645 -0.062 1
1 110 . 15 1 1 A 17 17 GLU C C 17 177.145 177.745 -0.600 1
1 111 . 15 1 1 A 18 18 CYS N N 18 114.540 115.557 -1.017 1
1 112 . 15 1 1 A 18 18 CYS H H 18 7.881 8.056 -0.175 1
1 113 . 15 1 1 A 18 18 CYS CA C 18 58.403 59.729 -1.326 1
1 114 . 15 1 1 A 18 18 CYS HA H 18 5.164 4.736 0.428 1
1 115 . 15 1 1 A 18 18 CYS CB C 18 32.532 30.009 2.523 1
1 118 . 15 1 1 A 18 18 CYS C C 18 176.314 175.607 0.707 1
1 119 . 15 1 1 A 19 19 GLY N N 19 113.441 110.083 3.358 1
1 120 . 15 1 1 A 19 19 GLY H H 19 8.210 7.950 0.260 1
1 121 . 15 1 1 A 19 19 GLY CA C 19 46.213 44.892 1.321 1
1 122 . 15 1 1 A 19 19 GLY HA2 H 19 3.866 4.083 -0.217 1
1 123 . 15 1 1 A 19 19 GLY HA3 H 19 4.209 4.095 0.114 1
1 124 . 15 1 1 A 19 19 GLY C C 19 173.754 174.476 -0.722 1
1 125 . 15 1 1 A 20 20 LYS N N 20 122.503 122.559 -0.056 1
1 126 . 15 1 1 A 20 20 LYS H H 20 7.874 7.613 0.261 1
1 127 . 15 1 1 A 20 20 LYS CA C 20 57.935 56.144 1.791 1
1 128 . 15 1 1 A 20 20 LYS HA H 20 3.953 4.088 -0.135 1
1 129 . 15 1 1 A 20 20 LYS CB C 20 33.881 32.591 1.290 1
1 141 . 15 1 1 A 20 20 LYS C C 20 173.729 175.711 -1.982 1
1 142 . 15 1 1 A 21 21 ALA N N 21 123.153 129.109 -5.956 1
1 143 . 15 1 1 A 21 21 ALA H H 21 7.808 8.360 -0.552 1
1 144 . 15 1 1 A 21 21 ALA CA C 21 50.379 50.442 -0.063 1
1 145 . 15 1 1 A 21 21 ALA HA H 21 5.019 5.174 -0.155 1
1 146 . 15 1 1 A 21 21 ALA CB C 21 21.933 20.872 1.061 1
1 150 . 15 1 1 A 21 21 ALA C C 21 176.429 176.487 -0.058 1
1 151 . 15 1 1 A 22 22 PHE N N 22 117.263 119.402 -2.139 1
1 152 . 15 1 1 A 22 22 PHE H H 22 8.627 9.152 -0.525 1
1 153 . 15 1 1 A 22 22 PHE CA C 22 57.115 56.642 0.473 1
1 154 . 15 1 1 A 22 22 PHE HA H 22 4.730 4.993 -0.263 1
1 155 . 15 1 1 A 22 22 PHE CB C 22 43.753 42.750 1.003 1
1 168 . 15 1 1 A 22 22 PHE C C 22 175.254 175.914 -0.660 1
1 169 . 15 1 1 A 23 23 ALA CA C 23 53.560 54.767 -1.207 1
1 170 . 15 1 1 A 23 23 ALA HA H 23 4.507 4.411 0.096 1
1 171 . 15 1 1 A 23 23 ALA CB C 23 19.794 19.666 0.128 1
1 175 . 15 1 1 A 23 23 ALA C C 23 177.450 177.610 -0.160 1
1 176 . 15 1 1 A 24 24 ARG N N 24 113.263 117.401 -4.138 1
1 177 . 15 1 1 A 24 24 ARG H H 24 7.468 7.920 -0.452 1
1 178 . 15 1 1 A 24 24 ARG CA C 24 53.899 54.820 -0.921 1
1 179 . 15 1 1 A 24 24 ARG HA H 24 4.741 4.686 0.055 1
1 180 . 15 1 1 A 24 24 ARG CB C 24 33.416 31.980 1.436 1
1 189 . 15 1 1 A 24 24 ARG C C 24 175.564 176.551 -0.987 1
1 190 . 15 1 1 A 25 25 LYS CA C 25 59.220 59.628 -0.408 1
1 191 . 15 1 1 A 25 25 LYS HA H 25 3.118 3.396 -0.278 1
1 192 . 15 1 1 A 25 25 LYS CB C 25 31.720 31.681 0.039 1
1 204 . 15 1 1 A 25 25 LYS C C 25 178.185 177.947 0.238 1
1 205 . 15 1 1 A 26 26 SER N N 26 112.513 114.974 -2.461 1
1 206 . 15 1 1 A 26 26 SER H H 26 8.477 8.315 0.162 1
1 207 . 15 1 1 A 26 26 SER CA C 26 61.122 61.518 -0.396 1
1 208 . 15 1 1 A 26 26 SER HA H 26 3.915 4.127 -0.212 1
1 209 . 15 1 1 A 26 26 SER CB C 26 61.354 62.212 -0.858 1
1 212 . 15 1 1 A 26 26 SER C C 26 177.077 177.209 -0.132 1
1 213 . 15 1 1 A 27 27 THR N N 27 117.989 117.343 0.646 1
1 214 . 15 1 1 A 27 27 THR H H 27 6.929 7.910 -0.981 1
1 215 . 15 1 1 A 27 27 THR CA C 27 65.178 67.179 -2.001 1
1 216 . 15 1 1 A 27 27 THR HA H 27 3.875 3.877 -0.002 1
1 217 . 15 1 1 A 27 27 THR CB C 27 67.995 68.502 -0.507 1
1 223 . 15 1 1 A 27 27 THR C C 27 176.325 176.027 0.298 1
1 224 . 15 1 1 A 28 28 LEU N N 28 123.865 120.530 3.335 1
1 225 . 15 1 1 A 28 28 LEU H H 28 7.075 7.511 -0.436 1
1 226 . 15 1 1 A 28 28 LEU CA C 28 58.313 57.969 0.344 1
1 227 . 15 1 1 A 28 28 LEU HA H 28 3.255 2.922 0.333 1
1 228 . 15 1 1 A 28 28 LEU CB C 28 40.195 41.331 -1.136 1
1 241 . 15 1 1 A 28 28 LEU C C 28 177.531 178.578 -1.047 1
1 242 . 15 1 1 A 29 29 ILE N N 29 119.337 119.883 -0.546 1
1 243 . 15 1 1 A 29 29 ILE H H 29 8.208 7.647 0.561 1
1 244 . 15 1 1 A 29 29 ILE CA C 29 64.671 65.353 -0.682 1
1 245 . 15 1 1 A 29 29 ILE HA H 29 3.738 3.544 0.194 1
1 246 . 15 1 1 A 29 29 ILE CB C 29 37.489 37.672 -0.183 1
1 259 . 15 1 1 A 29 29 ILE C C 29 179.113 177.895 1.218 1
1 260 . 15 1 1 A 30 30 MET N N 30 117.854 117.877 -0.023 1
1 261 . 15 1 1 A 30 30 MET H H 30 7.452 7.816 -0.364 1
1 262 . 15 1 1 A 30 30 MET CA C 30 58.365 59.033 -0.668 1
1 263 . 15 1 1 A 30 30 MET HA H 30 4.111 3.999 0.112 1
1 264 . 15 1 1 A 30 30 MET CB C 30 32.273 32.419 -0.146 1
1 274 . 15 1 1 A 30 30 MET C C 30 178.944 178.475 0.469 1
1 275 . 15 1 1 A 31 31 HIS N N 31 120.334 119.659 0.675 1
1 276 . 15 1 1 A 31 31 HIS H H 31 7.948 7.877 0.071 1
1 277 . 15 1 1 A 31 31 HIS CA C 31 59.151 59.611 -0.460 1
1 278 . 15 1 1 A 31 31 HIS HA H 31 4.157 4.076 0.081 1
1 279 . 15 1 1 A 31 31 HIS CB C 31 28.008 29.765 -1.757 1
1 286 . 15 1 1 A 31 31 HIS C C 31 176.320 176.740 -0.420 1
1 287 . 15 1 1 A 32 32 GLN N N 32 115.623 117.331 -1.708 1
1 288 . 15 1 1 A 32 32 GLN H H 32 8.424 8.513 -0.089 1
1 289 . 15 1 1 A 32 32 GLN CA C 32 59.493 59.266 0.227 1
1 290 . 15 1 1 A 32 32 GLN HA H 32 3.663 3.994 -0.331 1
1 291 . 15 1 1 A 32 32 GLN CB C 32 28.305 28.346 -0.041 1
1 300 . 15 1 1 A 32 32 GLN C C 32 177.429 178.435 -1.006 1
1 301 . 15 1 1 A 33 33 ARG N N 33 117.693 119.753 -2.060 1
1 302 . 15 1 1 A 33 33 ARG H H 33 7.178 7.775 -0.597 1
1 303 . 15 1 1 A 33 33 ARG CA C 33 58.554 58.874 -0.320 1
1 304 . 15 1 1 A 33 33 ARG HA H 33 4.136 3.962 0.174 1
1 305 . 15 1 1 A 33 33 ARG CB C 33 30.111 29.883 0.228 1
1 314 . 15 1 1 A 33 33 ARG C C 33 178.642 178.659 -0.017 1
1 315 . 15 1 1 A 34 34 ILE N N 34 116.231 118.076 -1.845 1
1 316 . 15 1 1 A 34 34 ILE H H 34 7.835 8.107 -0.272 1
1 317 . 15 1 1 A 34 34 ILE CA C 34 63.054 64.270 -1.216 1
1 318 . 15 1 1 A 34 34 ILE HA H 34 3.974 3.729 0.245 1
1 319 . 15 1 1 A 34 34 ILE CB C 34 37.687 37.243 0.444 1
1 332 . 15 1 1 A 34 34 ILE C C 34 177.429 177.629 -0.200 1
1 333 . 15 1 1 A 35 35 HIS N N 35 117.721 119.656 -1.935 1
1 334 . 15 1 1 A 35 35 HIS H H 35 7.202 7.566 -0.364 1
1 335 . 15 1 1 A 35 35 HIS CA C 35 55.257 58.937 -3.680 1
1 336 . 15 1 1 A 35 35 HIS HA H 35 4.853 4.366 0.487 1
1 337 . 15 1 1 A 35 35 HIS CB C 35 28.493 30.195 -1.702 1
1 344 . 15 1 1 A 35 35 HIS C C 35 175.814 176.439 -0.625 1
1 345 . 15 1 1 A 36 36 THR N N 36 111.765 111.392 0.373 1
1 346 . 15 1 1 A 36 36 THR H H 36 7.763 7.431 0.332 1
1 347 . 15 1 1 A 36 36 THR CA C 36 62.569 62.573 -0.004 1
1 348 . 15 1 1 A 36 36 THR HA H 36 4.350 4.215 0.135 1
1 349 . 15 1 1 A 36 36 THR CB C 36 69.804 69.188 0.616 1
1 355 . 15 1 1 A 36 36 THR C C 36 175.474 173.847 1.627 1
1 356 . 15 1 1 A 37 37 GLY N N 37 110.608 114.964 -4.356 1
1 357 . 15 1 1 A 37 37 GLY H H 37 8.218 8.543 -0.325 1
1 358 . 15 1 1 A 37 37 GLY CA C 37 45.399 45.238 0.161 1
1 359 . 15 1 1 A 37 37 GLY HA2 H 37 3.955 4.292 -0.337 1
1 360 . 15 1 1 A 37 37 GLY HA3 H 37 4.026 4.296 -0.270 1
1 361 . 15 1 1 A 37 37 GLY C C 37 174.038 172.003 2.035 1
1 362 . 15 1 1 A 38 38 GLU N N 38 120.485 120.870 -0.385 1
1 363 . 15 1 1 A 38 38 GLU H H 38 8.221 8.684 -0.463 1
1 364 . 15 1 1 A 38 38 GLU CA C 38 56.456 55.345 1.111 1
1 365 . 15 1 1 A 38 38 GLU HA H 38 4.219 4.582 -0.363 1
1 366 . 15 1 1 A 38 38 GLU CB C 38 30.482 29.875 0.607 1
1 371 . 15 1 1 A 38 38 GLU C C 38 176.231 175.221 1.010 1
1 372 . 15 1 1 A 39 39 LYS N N 39 123.785 125.486 -1.701 1
1 373 . 15 1 1 A 39 39 LYS H H 39 8.387 8.216 0.171 1
1 374 . 15 1 1 A 39 39 LYS CA C 39 54.108 53.193 0.915 1
1 375 . 15 1 1 A 39 39 LYS HA H 39 4.607 4.555 0.052 1
1 376 . 15 1 1 A 39 39 LYS CB C 39 32.499 35.637 -3.138 1
1 388 . 15 1 1 A 39 39 LYS C C 39 174.519 173.838 0.681 1
1 389 . 15 1 1 A 40 40 PRO CA C 40 63.238 62.428 0.810 1
1 390 . 15 1 1 A 40 40 PRO HA H 40 4.463 4.721 -0.258 1
1 391 . 15 1 1 A 40 40 PRO CB C 40 32.180 29.849 2.331 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.453 45.020 0.433 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 4.042 4.074 -0.032 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 4.042 4.074 -0.032 1
1 4 . 16 1 1 A 7 7 GLY C C 7 174.573 173.331 1.242 1
1 5 . 16 1 1 A 8 8 THR N N 8 112.804 120.123 -7.319 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.143 8.751 -0.608 1
1 7 . 16 1 1 A 8 8 THR CA C 8 62.075 60.969 1.106 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.367 5.054 -0.687 1
1 9 . 16 1 1 A 8 8 THR CB C 8 69.768 69.753 0.015 1
1 15 . 16 1 1 A 8 8 THR C C 8 175.337 174.338 0.999 1
1 16 . 16 1 1 A 9 9 GLY N N 9 110.991 112.128 -1.137 1
1 17 . 16 1 1 A 9 9 GLY H H 9 8.462 8.447 0.015 1
1 18 . 16 1 1 A 9 9 GLY CA C 9 45.399 45.648 -0.249 1
1 19 . 16 1 1 A 9 9 GLY HA2 H 9 4.023 4.214 -0.191 1
1 20 . 16 1 1 A 9 9 GLY HA3 H 9 3.951 4.268 -0.317 1
1 21 . 16 1 1 A 9 9 GLY C C 9 174.073 174.425 -0.352 1
1 22 . 16 1 1 A 10 10 GLU N N 10 120.581 123.863 -3.282 1
1 23 . 16 1 1 A 10 10 GLU H H 10 8.079 8.881 -0.802 1
1 24 . 16 1 1 A 10 10 GLU CA C 10 56.456 58.729 -2.273 1
1 25 . 16 1 1 A 10 10 GLU HA H 10 4.242 3.953 0.289 1
1 26 . 16 1 1 A 10 10 GLU CB C 10 30.527 29.481 1.046 1
1 32 . 16 1 1 A 10 10 GLU C C 10 176.271 178.022 -1.751 1
1 33 . 16 1 1 A 11 11 ARG N N 11 122.007 118.464 3.543 1
1 34 . 16 1 1 A 11 11 ARG H H 11 8.340 7.666 0.674 1
1 35 . 16 1 1 A 11 11 ARG CA C 11 55.538 56.679 -1.141 1
1 36 . 16 1 1 A 11 11 ARG HA H 11 4.226 4.357 -0.131 1
1 37 . 16 1 1 A 11 11 ARG CB C 11 30.611 30.398 0.213 1
1 46 . 16 1 1 A 11 11 ARG C C 11 174.992 176.183 -1.191 1
1 47 . 16 1 1 A 12 12 HIS N N 12 119.313 119.864 -0.551 1
1 48 . 16 1 1 A 12 12 HIS H H 12 7.928 7.732 0.196 1
1 49 . 16 1 1 A 12 12 HIS CA C 12 55.443 54.681 0.762 1
1 50 . 16 1 1 A 12 12 HIS HA H 12 4.611 5.610 -0.999 1
1 51 . 16 1 1 A 12 12 HIS CB C 12 31.542 31.355 0.187 1
1 58 . 16 1 1 A 12 12 HIS C C 12 173.859 173.117 0.742 1
1 59 . 16 1 1 A 13 13 TYR N N 13 120.629 126.991 -6.362 1
1 60 . 16 1 1 A 13 13 TYR H H 13 8.698 9.212 -0.514 1
1 61 . 16 1 1 A 13 13 TYR CA C 13 57.583 56.939 0.644 1
1 62 . 16 1 1 A 13 13 TYR HA H 13 4.619 4.982 -0.363 1
1 63 . 16 1 1 A 13 13 TYR CB C 13 39.470 40.958 -1.488 1
1 74 . 16 1 1 A 13 13 TYR C C 13 174.783 175.055 -0.272 1
1 75 . 16 1 1 A 14 14 GLU N N 14 123.865 124.656 -0.791 1
1 76 . 16 1 1 A 14 14 GLU H H 14 8.733 9.217 -0.484 1
1 77 . 16 1 1 A 14 14 GLU CA C 14 55.094 54.705 0.389 1
1 78 . 16 1 1 A 14 14 GLU HA H 14 4.934 5.544 -0.610 1
1 79 . 16 1 1 A 14 14 GLU CB C 14 32.824 32.612 0.212 1
1 85 . 16 1 1 A 14 14 GLU C C 14 175.407 175.459 -0.052 1
1 86 . 16 1 1 A 15 15 CYS N N 15 126.550 124.098 2.452 1
1 87 . 16 1 1 A 15 15 CYS H H 15 9.243 8.794 0.449 1
1 88 . 16 1 1 A 15 15 CYS CA C 15 59.494 58.097 1.397 1
1 89 . 16 1 1 A 15 15 CYS HA H 15 4.591 4.838 -0.247 1
1 90 . 16 1 1 A 15 15 CYS CB C 15 29.721 29.415 0.306 1
1 93 . 16 1 1 A 15 15 CYS C C 15 177.448 176.280 1.168 1
1 94 . 16 1 1 A 16 16 SER CA C 16 60.991 60.507 0.484 1
1 95 . 16 1 1 A 16 16 SER HA H 16 4.281 4.252 0.029 1
1 96 . 16 1 1 A 16 16 SER CB C 16 63.004 62.996 0.008 1
1 99 . 16 1 1 A 16 16 SER C C 16 174.576 175.835 -1.259 1
1 100 . 16 1 1 A 17 17 GLU N N 17 122.766 121.361 1.405 1
1 101 . 16 1 1 A 17 17 GLU H H 17 8.641 7.771 0.870 1
1 102 . 16 1 1 A 17 17 GLU CA C 17 58.039 58.821 -0.782 1
1 103 . 16 1 1 A 17 17 GLU HA H 17 4.246 4.057 0.189 1
1 104 . 16 1 1 A 17 17 GLU CB C 17 29.583 29.850 -0.267 1
1 110 . 16 1 1 A 17 17 GLU C C 17 177.145 177.734 -0.589 1
1 111 . 16 1 1 A 18 18 CYS N N 18 114.540 115.698 -1.158 1
1 112 . 16 1 1 A 18 18 CYS H H 18 7.881 8.141 -0.260 1
1 113 . 16 1 1 A 18 18 CYS CA C 18 58.403 59.730 -1.327 1
1 114 . 16 1 1 A 18 18 CYS HA H 18 5.164 4.695 0.469 1
1 115 . 16 1 1 A 18 18 CYS CB C 18 32.532 29.939 2.593 1
1 118 . 16 1 1 A 18 18 CYS C C 18 176.314 175.475 0.839 1
1 119 . 16 1 1 A 19 19 GLY N N 19 113.441 110.120 3.321 1
1 120 . 16 1 1 A 19 19 GLY H H 19 8.210 7.855 0.355 1
1 121 . 16 1 1 A 19 19 GLY CA C 19 46.213 44.944 1.269 1
1 122 . 16 1 1 A 19 19 GLY HA2 H 19 3.866 4.079 -0.213 1
1 123 . 16 1 1 A 19 19 GLY HA3 H 19 4.209 4.097 0.112 1
1 124 . 16 1 1 A 19 19 GLY C C 19 173.754 174.611 -0.857 1
1 125 . 16 1 1 A 20 20 LYS N N 20 122.503 122.598 -0.095 1
1 126 . 16 1 1 A 20 20 LYS H H 20 7.874 7.648 0.226 1
1 127 . 16 1 1 A 20 20 LYS CA C 20 57.935 56.121 1.814 1
1 128 . 16 1 1 A 20 20 LYS HA H 20 3.953 4.133 -0.180 1
1 129 . 16 1 1 A 20 20 LYS CB C 20 33.881 32.709 1.172 1
1 141 . 16 1 1 A 20 20 LYS C C 20 173.729 175.655 -1.926 1
1 142 . 16 1 1 A 21 21 ALA N N 21 123.153 128.778 -5.625 1
1 143 . 16 1 1 A 21 21 ALA H H 21 7.808 8.357 -0.549 1
1 144 . 16 1 1 A 21 21 ALA CA C 21 50.379 50.956 -0.577 1
1 145 . 16 1 1 A 21 21 ALA HA H 21 5.019 5.325 -0.306 1
1 146 . 16 1 1 A 21 21 ALA CB C 21 21.933 21.139 0.794 1
1 150 . 16 1 1 A 21 21 ALA C C 21 176.429 176.597 -0.168 1
1 151 . 16 1 1 A 22 22 PHE N N 22 117.263 117.853 -0.590 1
1 152 . 16 1 1 A 22 22 PHE H H 22 8.627 9.239 -0.612 1
1 153 . 16 1 1 A 22 22 PHE CA C 22 57.115 56.711 0.404 1
1 154 . 16 1 1 A 22 22 PHE HA H 22 4.730 4.848 -0.118 1
1 155 . 16 1 1 A 22 22 PHE CB C 22 43.753 42.675 1.078 1
1 168 . 16 1 1 A 22 22 PHE C C 22 175.254 175.141 0.113 1
1 169 . 16 1 1 A 23 23 ALA CA C 23 53.560 53.995 -0.435 1
1 170 . 16 1 1 A 23 23 ALA HA H 23 4.507 3.826 0.681 1
1 171 . 16 1 1 A 23 23 ALA CB C 23 19.794 19.526 0.268 1
1 175 . 16 1 1 A 23 23 ALA C C 23 177.450 177.674 -0.224 1
1 176 . 16 1 1 A 24 24 ARG N N 24 113.263 117.588 -4.325 1
1 177 . 16 1 1 A 24 24 ARG H H 24 7.468 7.922 -0.454 1
1 178 . 16 1 1 A 24 24 ARG CA C 24 53.899 54.573 -0.674 1
1 179 . 16 1 1 A 24 24 ARG HA H 24 4.741 4.728 0.013 1
1 180 . 16 1 1 A 24 24 ARG CB C 24 33.416 32.757 0.659 1
1 189 . 16 1 1 A 24 24 ARG C C 24 175.564 176.076 -0.512 1
1 190 . 16 1 1 A 25 25 LYS CA C 25 59.220 59.711 -0.491 1
1 191 . 16 1 1 A 25 25 LYS HA H 25 3.118 3.166 -0.048 1
1 192 . 16 1 1 A 25 25 LYS CB C 25 31.720 31.768 -0.048 1
1 204 . 16 1 1 A 25 25 LYS C C 25 178.185 178.124 0.061 1
1 205 . 16 1 1 A 26 26 SER N N 26 112.513 116.301 -3.788 1
1 206 . 16 1 1 A 26 26 SER H H 26 8.477 8.068 0.409 1
1 207 . 16 1 1 A 26 26 SER CA C 26 61.122 62.220 -1.098 1
1 208 . 16 1 1 A 26 26 SER HA H 26 3.915 4.032 -0.117 1
1 209 . 16 1 1 A 26 26 SER CB C 26 61.354 62.870 -1.516 1
1 212 . 16 1 1 A 26 26 SER C C 26 177.077 176.111 0.966 1
1 213 . 16 1 1 A 27 27 THR N N 27 117.989 116.742 1.247 1
1 214 . 16 1 1 A 27 27 THR H H 27 6.929 8.024 -1.095 1
1 215 . 16 1 1 A 27 27 THR CA C 27 65.178 67.020 -1.842 1
1 216 . 16 1 1 A 27 27 THR HA H 27 3.875 3.805 0.070 1
1 217 . 16 1 1 A 27 27 THR CB C 27 67.995 68.233 -0.238 1
1 223 . 16 1 1 A 27 27 THR C C 27 176.325 176.002 0.323 1
1 224 . 16 1 1 A 28 28 LEU N N 28 123.865 120.545 3.320 1
1 225 . 16 1 1 A 28 28 LEU H H 28 7.075 7.397 -0.322 1
1 226 . 16 1 1 A 28 28 LEU CA C 28 58.313 57.783 0.530 1
1 227 . 16 1 1 A 28 28 LEU HA H 28 3.255 2.456 0.799 1
1 228 . 16 1 1 A 28 28 LEU CB C 28 40.195 41.269 -1.074 1
1 241 . 16 1 1 A 28 28 LEU C C 28 177.531 178.460 -0.929 1
1 242 . 16 1 1 A 29 29 ILE N N 29 119.337 119.753 -0.416 1
1 243 . 16 1 1 A 29 29 ILE H H 29 8.208 7.796 0.412 1
1 244 . 16 1 1 A 29 29 ILE CA C 29 64.671 65.299 -0.628 1
1 245 . 16 1 1 A 29 29 ILE HA H 29 3.738 3.784 -0.046 1
1 246 . 16 1 1 A 29 29 ILE CB C 29 37.489 37.576 -0.087 1
1 259 . 16 1 1 A 29 29 ILE C C 29 179.113 177.575 1.538 1
1 260 . 16 1 1 A 30 30 MET N N 30 117.854 118.096 -0.242 1
1 261 . 16 1 1 A 30 30 MET H H 30 7.452 8.027 -0.575 1
1 262 . 16 1 1 A 30 30 MET CA C 30 58.365 58.741 -0.376 1
1 263 . 16 1 1 A 30 30 MET HA H 30 4.111 3.980 0.131 1
1 264 . 16 1 1 A 30 30 MET CB C 30 32.273 32.274 -0.001 1
1 274 . 16 1 1 A 30 30 MET C C 30 178.944 178.322 0.622 1
1 275 . 16 1 1 A 31 31 HIS N N 31 120.334 119.982 0.352 1
1 276 . 16 1 1 A 31 31 HIS H H 31 7.948 7.625 0.323 1
1 277 . 16 1 1 A 31 31 HIS CA C 31 59.151 59.532 -0.381 1
1 278 . 16 1 1 A 31 31 HIS HA H 31 4.157 4.183 -0.026 1
1 279 . 16 1 1 A 31 31 HIS CB C 31 28.008 29.955 -1.947 1
1 286 . 16 1 1 A 31 31 HIS C C 31 176.320 177.701 -1.381 1
1 287 . 16 1 1 A 32 32 GLN N N 32 115.623 118.387 -2.764 1
1 288 . 16 1 1 A 32 32 GLN H H 32 8.424 8.385 0.039 1
1 289 . 16 1 1 A 32 32 GLN CA C 32 59.493 59.250 0.243 1
1 290 . 16 1 1 A 32 32 GLN HA H 32 3.663 3.997 -0.334 1
1 291 . 16 1 1 A 32 32 GLN CB C 32 28.305 28.233 0.072 1
1 300 . 16 1 1 A 32 32 GLN C C 32 177.429 178.490 -1.061 1
1 301 . 16 1 1 A 33 33 ARG N N 33 117.693 119.163 -1.470 1
1 302 . 16 1 1 A 33 33 ARG H H 33 7.178 7.530 -0.352 1
1 303 . 16 1 1 A 33 33 ARG CA C 33 58.554 58.250 0.304 1
1 304 . 16 1 1 A 33 33 ARG HA H 33 4.136 4.033 0.103 1
1 305 . 16 1 1 A 33 33 ARG CB C 33 30.111 30.175 -0.064 1
1 314 . 16 1 1 A 33 33 ARG C C 33 178.642 178.541 0.101 1
1 315 . 16 1 1 A 34 34 ILE N N 34 116.231 115.850 0.381 1
1 316 . 16 1 1 A 34 34 ILE H H 34 7.835 7.772 0.063 1
1 317 . 16 1 1 A 34 34 ILE CA C 34 63.054 64.150 -1.096 1
1 318 . 16 1 1 A 34 34 ILE HA H 34 3.974 3.779 0.195 1
1 319 . 16 1 1 A 34 34 ILE CB C 34 37.687 36.984 0.703 1
1 332 . 16 1 1 A 34 34 ILE C C 34 177.429 178.110 -0.681 1
1 333 . 16 1 1 A 35 35 HIS N N 35 117.721 119.657 -1.936 1
1 334 . 16 1 1 A 35 35 HIS H H 35 7.202 7.343 -0.141 1
1 335 . 16 1 1 A 35 35 HIS CA C 35 55.257 59.312 -4.055 1
1 336 . 16 1 1 A 35 35 HIS HA H 35 4.853 4.360 0.493 1
1 337 . 16 1 1 A 35 35 HIS CB C 35 28.493 30.337 -1.844 1
1 344 . 16 1 1 A 35 35 HIS C C 35 175.814 176.428 -0.614 1
1 345 . 16 1 1 A 36 36 THR N N 36 111.765 112.808 -1.043 1
1 346 . 16 1 1 A 36 36 THR H H 36 7.763 7.689 0.074 1
1 347 . 16 1 1 A 36 36 THR CA C 36 62.569 63.770 -1.201 1
1 348 . 16 1 1 A 36 36 THR HA H 36 4.350 4.024 0.326 1
1 349 . 16 1 1 A 36 36 THR CB C 36 69.804 68.819 0.985 1
1 355 . 16 1 1 A 36 36 THR C C 36 175.474 175.373 0.101 1
1 356 . 16 1 1 A 37 37 GLY N N 37 110.608 115.727 -5.119 1
1 357 . 16 1 1 A 37 37 GLY H H 37 8.218 8.640 -0.422 1
1 358 . 16 1 1 A 37 37 GLY CA C 37 45.399 45.542 -0.143 1
1 359 . 16 1 1 A 37 37 GLY HA2 H 37 3.955 4.196 -0.241 1
1 360 . 16 1 1 A 37 37 GLY HA3 H 37 4.026 4.202 -0.176 1
1 361 . 16 1 1 A 37 37 GLY C C 37 174.038 174.119 -0.081 1
1 362 . 16 1 1 A 38 38 GLU N N 38 120.485 120.234 0.251 1
1 363 . 16 1 1 A 38 38 GLU H H 38 8.221 8.039 0.182 1
1 364 . 16 1 1 A 38 38 GLU CA C 38 56.456 55.178 1.278 1
1 365 . 16 1 1 A 38 38 GLU HA H 38 4.219 4.720 -0.501 1
1 366 . 16 1 1 A 38 38 GLU CB C 38 30.482 30.971 -0.489 1
1 371 . 16 1 1 A 38 38 GLU C C 38 176.231 176.005 0.226 1
1 372 . 16 1 1 A 39 39 LYS N N 39 123.785 124.684 -0.899 1
1 373 . 16 1 1 A 39 39 LYS H H 39 8.387 8.437 -0.050 1
1 374 . 16 1 1 A 39 39 LYS CA C 39 54.108 55.275 -1.167 1
1 375 . 16 1 1 A 39 39 LYS HA H 39 4.607 4.243 0.364 1
1 376 . 16 1 1 A 39 39 LYS CB C 39 32.499 31.821 0.678 1
1 388 . 16 1 1 A 39 39 LYS C C 39 174.519 174.930 -0.411 1
1 389 . 16 1 1 A 40 40 PRO CA C 40 63.238 62.754 0.484 1
1 390 . 16 1 1 A 40 40 PRO HA H 40 4.463 4.705 -0.242 1
1 391 . 16 1 1 A 40 40 PRO CB C 40 32.180 30.506 1.674 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.453 45.560 -0.107 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 4.042 4.067 -0.025 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 4.042 4.086 -0.044 1
1 4 . 17 1 1 A 7 7 GLY C C 7 174.573 174.464 0.109 1
1 5 . 17 1 1 A 8 8 THR N N 8 112.804 116.501 -3.697 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.143 8.327 -0.184 1
1 7 . 17 1 1 A 8 8 THR CA C 8 62.075 63.157 -1.082 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.367 3.945 0.422 1
1 9 . 17 1 1 A 8 8 THR CB C 8 69.768 67.802 1.966 1
1 15 . 17 1 1 A 8 8 THR C C 8 175.337 173.879 1.458 1
1 16 . 17 1 1 A 9 9 GLY N N 9 110.991 107.094 3.897 1
1 17 . 17 1 1 A 9 9 GLY H H 9 8.462 8.499 -0.037 1
1 18 . 17 1 1 A 9 9 GLY CA C 9 45.399 46.243 -0.844 1
1 19 . 17 1 1 A 9 9 GLY HA2 H 9 4.023 4.037 -0.014 1
1 20 . 17 1 1 A 9 9 GLY HA3 H 9 3.951 4.037 -0.086 1
1 21 . 17 1 1 A 9 9 GLY C C 9 174.073 174.189 -0.116 1
1 22 . 17 1 1 A 10 10 GLU N N 10 120.581 119.796 0.785 1
1 23 . 17 1 1 A 10 10 GLU H H 10 8.079 8.064 0.015 1
1 24 . 17 1 1 A 10 10 GLU CA C 10 56.456 55.151 1.305 1
1 25 . 17 1 1 A 10 10 GLU HA H 10 4.242 4.772 -0.530 1
1 26 . 17 1 1 A 10 10 GLU CB C 10 30.527 32.317 -1.790 1
1 32 . 17 1 1 A 10 10 GLU C C 10 176.271 175.314 0.957 1
1 33 . 17 1 1 A 11 11 ARG N N 11 122.007 124.259 -2.252 1
1 34 . 17 1 1 A 11 11 ARG H H 11 8.340 8.897 -0.557 1
1 35 . 17 1 1 A 11 11 ARG CA C 11 55.538 54.497 1.041 1
1 36 . 17 1 1 A 11 11 ARG HA H 11 4.226 4.514 -0.288 1
1 37 . 17 1 1 A 11 11 ARG CB C 11 30.611 29.504 1.107 1
1 46 . 17 1 1 A 11 11 ARG C C 11 174.992 175.142 -0.150 1
1 47 . 17 1 1 A 12 12 HIS N N 12 119.313 119.776 -0.463 1
1 48 . 17 1 1 A 12 12 HIS H H 12 7.928 8.191 -0.263 1
1 49 . 17 1 1 A 12 12 HIS CA C 12 55.443 55.262 0.181 1
1 50 . 17 1 1 A 12 12 HIS HA H 12 4.611 5.422 -0.811 1
1 51 . 17 1 1 A 12 12 HIS CB C 12 31.542 30.479 1.063 1
1 58 . 17 1 1 A 12 12 HIS C C 12 173.859 174.353 -0.494 1
1 59 . 17 1 1 A 13 13 TYR N N 13 120.629 124.239 -3.610 1
1 60 . 17 1 1 A 13 13 TYR H H 13 8.698 9.263 -0.565 1
1 61 . 17 1 1 A 13 13 TYR CA C 13 57.583 57.863 -0.280 1
1 62 . 17 1 1 A 13 13 TYR HA H 13 4.619 4.840 -0.221 1
1 63 . 17 1 1 A 13 13 TYR CB C 13 39.470 39.327 0.143 1
1 74 . 17 1 1 A 13 13 TYR C C 13 174.783 175.707 -0.924 1
1 75 . 17 1 1 A 14 14 GLU N N 14 123.865 125.227 -1.362 1
1 76 . 17 1 1 A 14 14 GLU H H 14 8.733 8.847 -0.114 1
1 77 . 17 1 1 A 14 14 GLU CA C 14 55.094 55.468 -0.374 1
1 78 . 17 1 1 A 14 14 GLU HA H 14 4.934 5.139 -0.205 1
1 79 . 17 1 1 A 14 14 GLU CB C 14 32.824 31.339 1.485 1
1 85 . 17 1 1 A 14 14 GLU C C 14 175.407 176.070 -0.663 1
1 86 . 17 1 1 A 15 15 CYS N N 15 126.550 124.230 2.320 1
1 87 . 17 1 1 A 15 15 CYS H H 15 9.243 8.657 0.586 1
1 88 . 17 1 1 A 15 15 CYS CA C 15 59.494 58.095 1.399 1
1 89 . 17 1 1 A 15 15 CYS HA H 15 4.591 4.785 -0.194 1
1 90 . 17 1 1 A 15 15 CYS CB C 15 29.721 28.956 0.765 1
1 93 . 17 1 1 A 15 15 CYS C C 15 177.448 175.818 1.630 1
1 94 . 17 1 1 A 16 16 SER CA C 16 60.991 60.668 0.323 1
1 95 . 17 1 1 A 16 16 SER HA H 16 4.281 4.222 0.059 1
1 96 . 17 1 1 A 16 16 SER CB C 16 63.004 62.777 0.227 1
1 99 . 17 1 1 A 16 16 SER C C 16 174.576 175.775 -1.199 1
1 100 . 17 1 1 A 17 17 GLU N N 17 122.766 120.507 2.259 1
1 101 . 17 1 1 A 17 17 GLU H H 17 8.641 7.734 0.907 1
1 102 . 17 1 1 A 17 17 GLU CA C 17 58.039 58.744 -0.705 1
1 103 . 17 1 1 A 17 17 GLU HA H 17 4.246 4.033 0.213 1
1 104 . 17 1 1 A 17 17 GLU CB C 17 29.583 29.827 -0.244 1
1 110 . 17 1 1 A 17 17 GLU C C 17 177.145 177.921 -0.776 1
1 111 . 17 1 1 A 18 18 CYS N N 18 114.540 116.094 -1.554 1
1 112 . 17 1 1 A 18 18 CYS H H 18 7.881 7.481 0.400 1
1 113 . 17 1 1 A 18 18 CYS CA C 18 58.403 59.715 -1.312 1
1 114 . 17 1 1 A 18 18 CYS HA H 18 5.164 4.568 0.596 1
1 115 . 17 1 1 A 18 18 CYS CB C 18 32.532 29.609 2.923 1
1 118 . 17 1 1 A 18 18 CYS C C 18 176.314 175.262 1.052 1
1 119 . 17 1 1 A 19 19 GLY N N 19 113.441 110.314 3.127 1
1 120 . 17 1 1 A 19 19 GLY H H 19 8.210 8.061 0.149 1
1 121 . 17 1 1 A 19 19 GLY CA C 19 46.213 45.015 1.198 1
1 122 . 17 1 1 A 19 19 GLY HA2 H 19 3.866 4.090 -0.224 1
1 123 . 17 1 1 A 19 19 GLY HA3 H 19 4.209 4.105 0.104 1
1 124 . 17 1 1 A 19 19 GLY C C 19 173.754 174.571 -0.817 1
1 125 . 17 1 1 A 20 20 LYS N N 20 122.503 122.564 -0.061 1
1 126 . 17 1 1 A 20 20 LYS H H 20 7.874 7.650 0.224 1
1 127 . 17 1 1 A 20 20 LYS CA C 20 57.935 55.959 1.976 1
1 128 . 17 1 1 A 20 20 LYS HA H 20 3.953 4.175 -0.222 1
1 129 . 17 1 1 A 20 20 LYS CB C 20 33.881 32.727 1.154 1
1 141 . 17 1 1 A 20 20 LYS C C 20 173.729 175.767 -2.038 1
1 142 . 17 1 1 A 21 21 ALA N N 21 123.153 128.859 -5.706 1
1 143 . 17 1 1 A 21 21 ALA H H 21 7.808 8.332 -0.524 1
1 144 . 17 1 1 A 21 21 ALA CA C 21 50.379 51.111 -0.732 1
1 145 . 17 1 1 A 21 21 ALA HA H 21 5.019 5.260 -0.241 1
1 146 . 17 1 1 A 21 21 ALA CB C 21 21.933 20.801 1.132 1
1 150 . 17 1 1 A 21 21 ALA C C 21 176.429 176.681 -0.252 1
1 151 . 17 1 1 A 22 22 PHE N N 22 117.263 118.178 -0.915 1
1 152 . 17 1 1 A 22 22 PHE H H 22 8.627 8.908 -0.281 1
1 153 . 17 1 1 A 22 22 PHE CA C 22 57.115 56.812 0.303 1
1 154 . 17 1 1 A 22 22 PHE HA H 22 4.730 4.997 -0.267 1
1 155 . 17 1 1 A 22 22 PHE CB C 22 43.753 43.592 0.161 1
1 168 . 17 1 1 A 22 22 PHE C C 22 175.254 175.781 -0.527 1
1 169 . 17 1 1 A 23 23 ALA CA C 23 53.560 54.340 -0.780 1
1 170 . 17 1 1 A 23 23 ALA HA H 23 4.507 4.472 0.035 1
1 171 . 17 1 1 A 23 23 ALA CB C 23 19.794 20.041 -0.247 1
1 175 . 17 1 1 A 23 23 ALA C C 23 177.450 177.243 0.207 1
1 176 . 17 1 1 A 24 24 ARG N N 24 113.263 117.234 -3.971 1
1 177 . 17 1 1 A 24 24 ARG H H 24 7.468 7.824 -0.356 1
1 178 . 17 1 1 A 24 24 ARG CA C 24 53.899 54.409 -0.510 1
1 179 . 17 1 1 A 24 24 ARG HA H 24 4.741 4.597 0.144 1
1 180 . 17 1 1 A 24 24 ARG CB C 24 33.416 31.512 1.904 1
1 189 . 17 1 1 A 24 24 ARG C C 24 175.564 176.948 -1.384 1
1 190 . 17 1 1 A 25 25 LYS CA C 25 59.220 58.546 0.674 1
1 191 . 17 1 1 A 25 25 LYS HA H 25 3.118 3.401 -0.283 1
1 192 . 17 1 1 A 25 25 LYS CB C 25 31.720 31.850 -0.130 1
1 204 . 17 1 1 A 25 25 LYS C C 25 178.185 177.953 0.232 1
1 205 . 17 1 1 A 26 26 SER N N 26 112.513 115.768 -3.255 1
1 206 . 17 1 1 A 26 26 SER H H 26 8.477 8.138 0.339 1
1 207 . 17 1 1 A 26 26 SER CA C 26 61.122 61.197 -0.075 1
1 208 . 17 1 1 A 26 26 SER HA H 26 3.915 4.111 -0.196 1
1 209 . 17 1 1 A 26 26 SER CB C 26 61.354 62.346 -0.992 1
1 212 . 17 1 1 A 26 26 SER C C 26 177.077 176.883 0.194 1
1 213 . 17 1 1 A 27 27 THR N N 27 117.989 117.143 0.846 1
1 214 . 17 1 1 A 27 27 THR H H 27 6.929 7.855 -0.926 1
1 215 . 17 1 1 A 27 27 THR CA C 27 65.178 67.233 -2.055 1
1 216 . 17 1 1 A 27 27 THR HA H 27 3.875 3.821 0.054 1
1 217 . 17 1 1 A 27 27 THR CB C 27 67.995 68.318 -0.323 1
1 223 . 17 1 1 A 27 27 THR C C 27 176.325 176.045 0.280 1
1 224 . 17 1 1 A 28 28 LEU N N 28 123.865 120.581 3.284 1
1 225 . 17 1 1 A 28 28 LEU H H 28 7.075 7.761 -0.686 1
1 226 . 17 1 1 A 28 28 LEU CA C 28 58.313 57.909 0.404 1
1 227 . 17 1 1 A 28 28 LEU HA H 28 3.255 2.720 0.535 1
1 228 . 17 1 1 A 28 28 LEU CB C 28 40.195 41.334 -1.139 1
1 241 . 17 1 1 A 28 28 LEU C C 28 177.531 178.424 -0.893 1
1 242 . 17 1 1 A 29 29 ILE N N 29 119.337 119.678 -0.341 1
1 243 . 17 1 1 A 29 29 ILE H H 29 8.208 7.478 0.730 1
1 244 . 17 1 1 A 29 29 ILE CA C 29 64.671 65.341 -0.670 1
1 245 . 17 1 1 A 29 29 ILE HA H 29 3.738 3.533 0.205 1
1 246 . 17 1 1 A 29 29 ILE CB C 29 37.489 37.650 -0.161 1
1 259 . 17 1 1 A 29 29 ILE C C 29 179.113 177.783 1.330 1
1 260 . 17 1 1 A 30 30 MET N N 30 117.854 117.940 -0.086 1
1 261 . 17 1 1 A 30 30 MET H H 30 7.452 8.004 -0.552 1
1 262 . 17 1 1 A 30 30 MET CA C 30 58.365 59.034 -0.669 1
1 263 . 17 1 1 A 30 30 MET HA H 30 4.111 4.005 0.106 1
1 264 . 17 1 1 A 30 30 MET CB C 30 32.273 32.401 -0.128 1
1 274 . 17 1 1 A 30 30 MET C C 30 178.944 178.429 0.515 1
1 275 . 17 1 1 A 31 31 HIS N N 31 120.334 119.517 0.817 1
1 276 . 17 1 1 A 31 31 HIS H H 31 7.948 7.778 0.170 1
1 277 . 17 1 1 A 31 31 HIS CA C 31 59.151 59.769 -0.618 1
1 278 . 17 1 1 A 31 31 HIS HA H 31 4.157 4.191 -0.034 1
1 279 . 17 1 1 A 31 31 HIS CB C 31 28.008 30.006 -1.998 1
1 286 . 17 1 1 A 31 31 HIS C C 31 176.320 177.276 -0.956 1
1 287 . 17 1 1 A 32 32 GLN N N 32 115.623 117.813 -2.190 1
1 288 . 17 1 1 A 32 32 GLN H H 32 8.424 8.464 -0.040 1
1 289 . 17 1 1 A 32 32 GLN CA C 32 59.493 59.069 0.424 1
1 290 . 17 1 1 A 32 32 GLN HA H 32 3.663 3.991 -0.328 1
1 291 . 17 1 1 A 32 32 GLN CB C 32 28.305 28.285 0.020 1
1 300 . 17 1 1 A 32 32 GLN C C 32 177.429 178.520 -1.091 1
1 301 . 17 1 1 A 33 33 ARG N N 33 117.693 119.251 -1.558 1
1 302 . 17 1 1 A 33 33 ARG H H 33 7.178 7.959 -0.781 1
1 303 . 17 1 1 A 33 33 ARG CA C 33 58.554 58.655 -0.101 1
1 304 . 17 1 1 A 33 33 ARG HA H 33 4.136 4.337 -0.201 1
1 305 . 17 1 1 A 33 33 ARG CB C 33 30.111 29.770 0.341 1
1 314 . 17 1 1 A 33 33 ARG C C 33 178.642 178.896 -0.254 1
1 315 . 17 1 1 A 34 34 ILE N N 34 116.231 115.971 0.260 1
1 316 . 17 1 1 A 34 34 ILE H H 34 7.835 7.657 0.178 1
1 317 . 17 1 1 A 34 34 ILE CA C 34 63.054 63.463 -0.409 1
1 318 . 17 1 1 A 34 34 ILE HA H 34 3.974 3.723 0.251 1
1 319 . 17 1 1 A 34 34 ILE CB C 34 37.687 36.926 0.761 1
1 332 . 17 1 1 A 34 34 ILE C C 34 177.429 176.807 0.622 1
1 333 . 17 1 1 A 35 35 HIS N N 35 117.721 119.274 -1.553 1
1 334 . 17 1 1 A 35 35 HIS H H 35 7.202 8.010 -0.808 1
1 335 . 17 1 1 A 35 35 HIS CA C 35 55.257 56.738 -1.481 1
1 336 . 17 1 1 A 35 35 HIS HA H 35 4.853 4.687 0.166 1
1 337 . 17 1 1 A 35 35 HIS CB C 35 28.493 31.261 -2.768 1
1 344 . 17 1 1 A 35 35 HIS C C 35 175.814 175.184 0.630 1
1 345 . 17 1 1 A 36 36 THR N N 36 111.765 112.038 -0.273 1
1 346 . 17 1 1 A 36 36 THR H H 36 7.763 7.436 0.327 1
1 347 . 17 1 1 A 36 36 THR CA C 36 62.569 63.266 -0.697 1
1 348 . 17 1 1 A 36 36 THR HA H 36 4.350 4.225 0.125 1
1 349 . 17 1 1 A 36 36 THR CB C 36 69.804 68.409 1.395 1
1 355 . 17 1 1 A 36 36 THR C C 36 175.474 175.167 0.307 1
1 356 . 17 1 1 A 37 37 GLY N N 37 110.608 113.673 -3.065 1
1 357 . 17 1 1 A 37 37 GLY H H 37 8.218 8.967 -0.749 1
1 358 . 17 1 1 A 37 37 GLY CA C 37 45.399 45.749 -0.350 1
1 359 . 17 1 1 A 37 37 GLY HA2 H 37 3.955 4.007 -0.052 1
1 360 . 17 1 1 A 37 37 GLY HA3 H 37 4.026 4.012 0.014 1
1 361 . 17 1 1 A 37 37 GLY C C 37 174.038 174.058 -0.020 1
1 362 . 17 1 1 A 38 38 GLU N N 38 120.485 123.241 -2.756 1
1 363 . 17 1 1 A 38 38 GLU H H 38 8.221 7.954 0.267 1
1 364 . 17 1 1 A 38 38 GLU CA C 38 56.456 56.423 0.033 1
1 365 . 17 1 1 A 38 38 GLU HA H 38 4.219 4.338 -0.119 1
1 366 . 17 1 1 A 38 38 GLU CB C 38 30.482 31.109 -0.627 1
1 371 . 17 1 1 A 38 38 GLU C C 38 176.231 176.084 0.147 1
1 372 . 17 1 1 A 39 39 LYS N N 39 123.785 121.714 2.071 1
1 373 . 17 1 1 A 39 39 LYS H H 39 8.387 8.302 0.085 1
1 374 . 17 1 1 A 39 39 LYS CA C 39 54.108 54.595 -0.487 1
1 375 . 17 1 1 A 39 39 LYS HA H 39 4.607 4.637 -0.030 1
1 376 . 17 1 1 A 39 39 LYS CB C 39 32.499 32.993 -0.494 1
1 388 . 17 1 1 A 39 39 LYS C C 39 174.519 175.592 -1.073 1
1 389 . 17 1 1 A 40 40 PRO CA C 40 63.238 62.760 0.478 1
1 390 . 17 1 1 A 40 40 PRO HA H 40 4.463 4.639 -0.176 1
1 391 . 17 1 1 A 40 40 PRO CB C 40 32.180 32.886 -0.706 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.453 45.480 -0.027 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 4.042 4.120 -0.078 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 4.042 4.124 -0.082 1
1 4 . 18 1 1 A 7 7 GLY C C 7 174.573 174.214 0.359 1
1 5 . 18 1 1 A 8 8 THR N N 8 112.804 114.439 -1.635 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.143 8.118 0.025 1
1 7 . 18 1 1 A 8 8 THR CA C 8 62.075 60.961 1.114 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.367 4.816 -0.449 1
1 9 . 18 1 1 A 8 8 THR CB C 8 69.768 70.258 -0.490 1
1 15 . 18 1 1 A 8 8 THR C C 8 175.337 174.517 0.820 1
1 16 . 18 1 1 A 9 9 GLY N N 9 110.991 112.348 -1.357 1
1 17 . 18 1 1 A 9 9 GLY H H 9 8.462 8.212 0.250 1
1 18 . 18 1 1 A 9 9 GLY CA C 9 45.399 46.048 -0.649 1
1 19 . 18 1 1 A 9 9 GLY HA2 H 9 4.023 4.184 -0.161 1
1 20 . 18 1 1 A 9 9 GLY HA3 H 9 3.951 4.189 -0.238 1
1 21 . 18 1 1 A 9 9 GLY C C 9 174.073 173.167 0.906 1
1 22 . 18 1 1 A 10 10 GLU N N 10 120.581 124.888 -4.307 1
1 23 . 18 1 1 A 10 10 GLU H H 10 8.079 8.188 -0.109 1
1 24 . 18 1 1 A 10 10 GLU CA C 10 56.456 57.084 -0.628 1
1 25 . 18 1 1 A 10 10 GLU HA H 10 4.242 4.272 -0.030 1
1 26 . 18 1 1 A 10 10 GLU CB C 10 30.527 30.633 -0.106 1
1 32 . 18 1 1 A 10 10 GLU C C 10 176.271 177.718 -1.447 1
1 33 . 18 1 1 A 11 11 ARG N N 11 122.007 124.427 -2.420 1
1 34 . 18 1 1 A 11 11 ARG H H 11 8.340 8.729 -0.389 1
1 35 . 18 1 1 A 11 11 ARG CA C 11 55.538 56.266 -0.728 1
1 36 . 18 1 1 A 11 11 ARG HA H 11 4.226 4.388 -0.162 1
1 37 . 18 1 1 A 11 11 ARG CB C 11 30.611 29.709 0.902 1
1 46 . 18 1 1 A 11 11 ARG C C 11 174.992 175.675 -0.683 1
1 47 . 18 1 1 A 12 12 HIS N N 12 119.313 120.574 -1.261 1
1 48 . 18 1 1 A 12 12 HIS H H 12 7.928 7.842 0.086 1
1 49 . 18 1 1 A 12 12 HIS CA C 12 55.443 54.754 0.689 1
1 50 . 18 1 1 A 12 12 HIS HA H 12 4.611 5.543 -0.932 1
1 51 . 18 1 1 A 12 12 HIS CB C 12 31.542 31.147 0.395 1
1 58 . 18 1 1 A 12 12 HIS C C 12 173.859 173.253 0.606 1
1 59 . 18 1 1 A 13 13 TYR N N 13 120.629 127.051 -6.422 1
1 60 . 18 1 1 A 13 13 TYR H H 13 8.698 9.207 -0.509 1
1 61 . 18 1 1 A 13 13 TYR CA C 13 57.583 57.330 0.253 1
1 62 . 18 1 1 A 13 13 TYR HA H 13 4.619 5.117 -0.498 1
1 63 . 18 1 1 A 13 13 TYR CB C 13 39.470 40.437 -0.967 1
1 74 . 18 1 1 A 13 13 TYR C C 13 174.783 174.986 -0.203 1
1 75 . 18 1 1 A 14 14 GLU N N 14 123.865 124.860 -0.995 1
1 76 . 18 1 1 A 14 14 GLU H H 14 8.733 9.108 -0.375 1
1 77 . 18 1 1 A 14 14 GLU CA C 14 55.094 55.021 0.073 1
1 78 . 18 1 1 A 14 14 GLU HA H 14 4.934 5.360 -0.426 1
1 79 . 18 1 1 A 14 14 GLU CB C 14 32.824 31.643 1.181 1
1 85 . 18 1 1 A 14 14 GLU C C 14 175.407 175.952 -0.545 1
1 86 . 18 1 1 A 15 15 CYS N N 15 126.550 124.261 2.289 1
1 87 . 18 1 1 A 15 15 CYS H H 15 9.243 8.864 0.379 1
1 88 . 18 1 1 A 15 15 CYS CA C 15 59.494 58.135 1.359 1
1 89 . 18 1 1 A 15 15 CYS HA H 15 4.591 4.797 -0.206 1
1 90 . 18 1 1 A 15 15 CYS CB C 15 29.721 28.954 0.767 1
1 93 . 18 1 1 A 15 15 CYS C C 15 177.448 175.957 1.491 1
1 94 . 18 1 1 A 16 16 SER CA C 16 60.991 60.178 0.813 1
1 95 . 18 1 1 A 16 16 SER HA H 16 4.281 4.366 -0.085 1
1 96 . 18 1 1 A 16 16 SER CB C 16 63.004 62.811 0.193 1
1 99 . 18 1 1 A 16 16 SER C C 16 174.576 175.663 -1.087 1
1 100 . 18 1 1 A 17 17 GLU N N 17 122.766 121.195 1.571 1
1 101 . 18 1 1 A 17 17 GLU H H 17 8.641 7.790 0.851 1
1 102 . 18 1 1 A 17 17 GLU CA C 17 58.039 58.796 -0.757 1
1 103 . 18 1 1 A 17 17 GLU HA H 17 4.246 4.066 0.180 1
1 104 . 18 1 1 A 17 17 GLU CB C 17 29.583 29.983 -0.400 1
1 110 . 18 1 1 A 17 17 GLU C C 17 177.145 177.659 -0.514 1
1 111 . 18 1 1 A 18 18 CYS N N 18 114.540 115.656 -1.116 1
1 112 . 18 1 1 A 18 18 CYS H H 18 7.881 8.056 -0.175 1
1 113 . 18 1 1 A 18 18 CYS CA C 18 58.403 59.693 -1.290 1
1 114 . 18 1 1 A 18 18 CYS HA H 18 5.164 4.686 0.478 1
1 115 . 18 1 1 A 18 18 CYS CB C 18 32.532 29.961 2.571 1
1 118 . 18 1 1 A 18 18 CYS C C 18 176.314 175.580 0.734 1
1 119 . 18 1 1 A 19 19 GLY N N 19 113.441 110.034 3.407 1
1 120 . 18 1 1 A 19 19 GLY H H 19 8.210 8.082 0.128 1
1 121 . 18 1 1 A 19 19 GLY CA C 19 46.213 44.882 1.331 1
1 122 . 18 1 1 A 19 19 GLY HA2 H 19 3.866 4.081 -0.215 1
1 123 . 18 1 1 A 19 19 GLY HA3 H 19 4.209 4.093 0.116 1
1 124 . 18 1 1 A 19 19 GLY C C 19 173.754 174.485 -0.731 1
1 125 . 18 1 1 A 20 20 LYS N N 20 122.503 120.263 2.240 1
1 126 . 18 1 1 A 20 20 LYS H H 20 7.874 7.189 0.685 1
1 127 . 18 1 1 A 20 20 LYS CA C 20 57.935 56.432 1.503 1
1 128 . 18 1 1 A 20 20 LYS HA H 20 3.953 4.173 -0.220 1
1 129 . 18 1 1 A 20 20 LYS CB C 20 33.881 32.874 1.007 1
1 141 . 18 1 1 A 20 20 LYS C C 20 173.729 175.340 -1.611 1
1 142 . 18 1 1 A 21 21 ALA N N 21 123.153 127.937 -4.784 1
1 143 . 18 1 1 A 21 21 ALA H H 21 7.808 8.360 -0.552 1
1 144 . 18 1 1 A 21 21 ALA CA C 21 50.379 50.920 -0.541 1
1 145 . 18 1 1 A 21 21 ALA HA H 21 5.019 5.286 -0.267 1
1 146 . 18 1 1 A 21 21 ALA CB C 21 21.933 20.943 0.990 1
1 150 . 18 1 1 A 21 21 ALA C C 21 176.429 176.649 -0.220 1
1 151 . 18 1 1 A 22 22 PHE N N 22 117.263 117.754 -0.491 1
1 152 . 18 1 1 A 22 22 PHE H H 22 8.627 9.090 -0.463 1
1 153 . 18 1 1 A 22 22 PHE CA C 22 57.115 56.696 0.419 1
1 154 . 18 1 1 A 22 22 PHE HA H 22 4.730 4.864 -0.134 1
1 155 . 18 1 1 A 22 22 PHE CB C 22 43.753 43.785 -0.032 1
1 168 . 18 1 1 A 22 22 PHE C C 22 175.254 175.186 0.068 1
1 169 . 18 1 1 A 23 23 ALA CA C 23 53.560 53.836 -0.276 1
1 170 . 18 1 1 A 23 23 ALA HA H 23 4.507 3.915 0.592 1
1 171 . 18 1 1 A 23 23 ALA CB C 23 19.794 19.902 -0.108 1
1 175 . 18 1 1 A 23 23 ALA C C 23 177.450 177.462 -0.012 1
1 176 . 18 1 1 A 24 24 ARG N N 24 113.263 117.502 -4.239 1
1 177 . 18 1 1 A 24 24 ARG H H 24 7.468 7.829 -0.361 1
1 178 . 18 1 1 A 24 24 ARG CA C 24 53.899 54.362 -0.463 1
1 179 . 18 1 1 A 24 24 ARG HA H 24 4.741 4.636 0.105 1
1 180 . 18 1 1 A 24 24 ARG CB C 24 33.416 32.744 0.672 1
1 189 . 18 1 1 A 24 24 ARG C C 24 175.564 176.126 -0.562 1
1 190 . 18 1 1 A 25 25 LYS CA C 25 59.220 59.532 -0.312 1
1 191 . 18 1 1 A 25 25 LYS HA H 25 3.118 3.208 -0.090 1
1 192 . 18 1 1 A 25 25 LYS CB C 25 31.720 31.804 -0.084 1
1 204 . 18 1 1 A 25 25 LYS C C 25 178.185 177.737 0.448 1
1 205 . 18 1 1 A 26 26 SER N N 26 112.513 113.500 -0.987 1
1 206 . 18 1 1 A 26 26 SER H H 26 8.477 7.840 0.637 1
1 207 . 18 1 1 A 26 26 SER CA C 26 61.122 61.686 -0.564 1
1 208 . 18 1 1 A 26 26 SER HA H 26 3.915 4.010 -0.095 1
1 209 . 18 1 1 A 26 26 SER CB C 26 61.354 63.026 -1.672 1
1 212 . 18 1 1 A 26 26 SER C C 26 177.077 177.032 0.045 1
1 213 . 18 1 1 A 27 27 THR N N 27 117.989 116.365 1.624 1
1 214 . 18 1 1 A 27 27 THR H H 27 6.929 8.055 -1.126 1
1 215 . 18 1 1 A 27 27 THR CA C 27 65.178 66.847 -1.669 1
1 216 . 18 1 1 A 27 27 THR HA H 27 3.875 3.789 0.086 1
1 217 . 18 1 1 A 27 27 THR CB C 27 67.995 68.415 -0.420 1
1 223 . 18 1 1 A 27 27 THR C C 27 176.325 175.834 0.491 1
1 224 . 18 1 1 A 28 28 LEU N N 28 123.865 120.750 3.115 1
1 225 . 18 1 1 A 28 28 LEU H H 28 7.075 7.742 -0.667 1
1 226 . 18 1 1 A 28 28 LEU CA C 28 58.313 57.484 0.829 1
1 227 . 18 1 1 A 28 28 LEU HA H 28 3.255 3.080 0.175 1
1 228 . 18 1 1 A 28 28 LEU CB C 28 40.195 41.508 -1.313 1
1 241 . 18 1 1 A 28 28 LEU C C 28 177.531 178.715 -1.184 1
1 242 . 18 1 1 A 29 29 ILE N N 29 119.337 119.212 0.125 1
1 243 . 18 1 1 A 29 29 ILE H H 29 8.208 8.305 -0.097 1
1 244 . 18 1 1 A 29 29 ILE CA C 29 64.671 64.826 -0.155 1
1 245 . 18 1 1 A 29 29 ILE HA H 29 3.738 3.475 0.263 1
1 246 . 18 1 1 A 29 29 ILE CB C 29 37.489 37.748 -0.259 1
1 259 . 18 1 1 A 29 29 ILE C C 29 179.113 177.901 1.212 1
1 260 . 18 1 1 A 30 30 MET N N 30 117.854 118.078 -0.224 1
1 261 . 18 1 1 A 30 30 MET H H 30 7.452 7.916 -0.464 1
1 262 . 18 1 1 A 30 30 MET CA C 30 58.365 58.712 -0.347 1
1 263 . 18 1 1 A 30 30 MET HA H 30 4.111 4.051 0.060 1
1 264 . 18 1 1 A 30 30 MET CB C 30 32.273 32.046 0.227 1
1 274 . 18 1 1 A 30 30 MET C C 30 178.944 178.448 0.496 1
1 275 . 18 1 1 A 31 31 HIS N N 31 120.334 120.132 0.202 1
1 276 . 18 1 1 A 31 31 HIS H H 31 7.948 7.609 0.339 1
1 277 . 18 1 1 A 31 31 HIS CA C 31 59.151 59.716 -0.565 1
1 278 . 18 1 1 A 31 31 HIS HA H 31 4.157 4.207 -0.050 1
1 279 . 18 1 1 A 31 31 HIS CB C 31 28.008 29.712 -1.704 1
1 286 . 18 1 1 A 31 31 HIS C C 31 176.320 177.325 -1.005 1
1 287 . 18 1 1 A 32 32 GLN N N 32 115.623 118.000 -2.377 1
1 288 . 18 1 1 A 32 32 GLN H H 32 8.424 8.353 0.071 1
1 289 . 18 1 1 A 32 32 GLN CA C 32 59.493 59.108 0.385 1
1 290 . 18 1 1 A 32 32 GLN HA H 32 3.663 3.985 -0.322 1
1 291 . 18 1 1 A 32 32 GLN CB C 32 28.305 28.403 -0.098 1
1 300 . 18 1 1 A 32 32 GLN C C 32 177.429 178.550 -1.121 1
1 301 . 18 1 1 A 33 33 ARG N N 33 117.693 118.976 -1.283 1
1 302 . 18 1 1 A 33 33 ARG H H 33 7.178 7.617 -0.439 1
1 303 . 18 1 1 A 33 33 ARG CA C 33 58.554 59.030 -0.476 1
1 304 . 18 1 1 A 33 33 ARG HA H 33 4.136 4.038 0.098 1
1 305 . 18 1 1 A 33 33 ARG CB C 33 30.111 29.869 0.242 1
1 314 . 18 1 1 A 33 33 ARG C C 33 178.642 178.924 -0.282 1
1 315 . 18 1 1 A 34 34 ILE N N 34 116.231 117.170 -0.939 1
1 316 . 18 1 1 A 34 34 ILE H H 34 7.835 7.790 0.045 1
1 317 . 18 1 1 A 34 34 ILE CA C 34 63.054 64.291 -1.237 1
1 318 . 18 1 1 A 34 34 ILE HA H 34 3.974 3.705 0.269 1
1 319 . 18 1 1 A 34 34 ILE CB C 34 37.687 37.095 0.592 1
1 332 . 18 1 1 A 34 34 ILE C C 34 177.429 178.002 -0.573 1
1 333 . 18 1 1 A 35 35 HIS N N 35 117.721 119.808 -2.087 1
1 334 . 18 1 1 A 35 35 HIS H H 35 7.202 7.560 -0.358 1
1 335 . 18 1 1 A 35 35 HIS CA C 35 55.257 59.439 -4.182 1
1 336 . 18 1 1 A 35 35 HIS HA H 35 4.853 4.355 0.498 1
1 337 . 18 1 1 A 35 35 HIS CB C 35 28.493 30.909 -2.416 1
1 344 . 18 1 1 A 35 35 HIS C C 35 175.814 176.292 -0.478 1
1 345 . 18 1 1 A 36 36 THR N N 36 111.765 112.640 -0.875 1
1 346 . 18 1 1 A 36 36 THR H H 36 7.763 7.438 0.325 1
1 347 . 18 1 1 A 36 36 THR CA C 36 62.569 60.800 1.769 1
1 348 . 18 1 1 A 36 36 THR HA H 36 4.350 4.631 -0.281 1
1 349 . 18 1 1 A 36 36 THR CB C 36 69.804 69.664 0.140 1
1 355 . 18 1 1 A 36 36 THR C C 36 175.474 174.228 1.246 1
1 356 . 18 1 1 A 37 37 GLY N N 37 110.608 114.889 -4.281 1
1 357 . 18 1 1 A 37 37 GLY H H 37 8.218 8.570 -0.352 1
1 358 . 18 1 1 A 37 37 GLY CA C 37 45.399 45.736 -0.337 1
1 359 . 18 1 1 A 37 37 GLY HA2 H 37 3.955 4.159 -0.204 1
1 360 . 18 1 1 A 37 37 GLY HA3 H 37 4.026 4.162 -0.136 1
1 361 . 18 1 1 A 37 37 GLY C C 37 174.038 174.190 -0.152 1
1 362 . 18 1 1 A 38 38 GLU N N 38 120.485 118.233 2.252 1
1 363 . 18 1 1 A 38 38 GLU H H 38 8.221 7.997 0.224 1
1 364 . 18 1 1 A 38 38 GLU CA C 38 56.456 55.489 0.967 1
1 365 . 18 1 1 A 38 38 GLU HA H 38 4.219 4.643 -0.424 1
1 366 . 18 1 1 A 38 38 GLU CB C 38 30.482 29.620 0.862 1
1 371 . 18 1 1 A 38 38 GLU C C 38 176.231 175.436 0.795 1
1 372 . 18 1 1 A 39 39 LYS N N 39 123.785 124.241 -0.456 1
1 373 . 18 1 1 A 39 39 LYS H H 39 8.387 8.383 0.004 1
1 374 . 18 1 1 A 39 39 LYS CA C 39 54.108 53.005 1.103 1
1 375 . 18 1 1 A 39 39 LYS HA H 39 4.607 4.703 -0.096 1
1 376 . 18 1 1 A 39 39 LYS CB C 39 32.499 33.087 -0.588 1
1 388 . 18 1 1 A 39 39 LYS C C 39 174.519 174.245 0.274 1
1 389 . 18 1 1 A 40 40 PRO CA C 40 63.238 62.756 0.482 1
1 390 . 18 1 1 A 40 40 PRO HA H 40 4.463 4.598 -0.135 1
1 391 . 18 1 1 A 40 40 PRO CB C 40 32.180 32.500 -0.320 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.453 44.620 0.833 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 4.042 4.152 -0.110 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 4.042 4.153 -0.111 1
1 4 . 19 1 1 A 7 7 GLY C C 7 174.573 175.348 -0.775 1
1 5 . 19 1 1 A 8 8 THR N N 8 112.804 118.079 -5.275 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.143 8.653 -0.510 1
1 7 . 19 1 1 A 8 8 THR CA C 8 62.075 66.211 -4.136 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.367 3.884 0.483 1
1 9 . 19 1 1 A 8 8 THR CB C 8 69.768 69.159 0.609 1
1 15 . 19 1 1 A 8 8 THR C C 8 175.337 175.181 0.156 1
1 16 . 19 1 1 A 9 9 GLY N N 9 110.991 108.096 2.895 1
1 17 . 19 1 1 A 9 9 GLY H H 9 8.462 7.804 0.658 1
1 18 . 19 1 1 A 9 9 GLY CA C 9 45.399 47.497 -2.098 1
1 19 . 19 1 1 A 9 9 GLY HA2 H 9 4.023 3.942 0.081 1
1 20 . 19 1 1 A 9 9 GLY HA3 H 9 3.951 3.949 0.002 1
1 21 . 19 1 1 A 9 9 GLY C C 9 174.073 173.443 0.630 1
1 22 . 19 1 1 A 10 10 GLU N N 10 120.581 122.750 -2.169 1
1 23 . 19 1 1 A 10 10 GLU H H 10 8.079 8.486 -0.407 1
1 24 . 19 1 1 A 10 10 GLU CA C 10 56.456 55.153 1.303 1
1 25 . 19 1 1 A 10 10 GLU HA H 10 4.242 4.793 -0.551 1
1 26 . 19 1 1 A 10 10 GLU CB C 10 30.527 31.685 -1.158 1
1 32 . 19 1 1 A 10 10 GLU C C 10 176.271 176.059 0.212 1
1 33 . 19 1 1 A 11 11 ARG N N 11 122.007 121.842 0.165 1
1 34 . 19 1 1 A 11 11 ARG H H 11 8.340 8.663 -0.323 1
1 35 . 19 1 1 A 11 11 ARG CA C 11 55.538 54.700 0.838 1
1 36 . 19 1 1 A 11 11 ARG HA H 11 4.226 4.549 -0.323 1
1 37 . 19 1 1 A 11 11 ARG CB C 11 30.611 29.757 0.854 1
1 46 . 19 1 1 A 11 11 ARG C C 11 174.992 175.258 -0.266 1
1 47 . 19 1 1 A 12 12 HIS N N 12 119.313 119.736 -0.423 1
1 48 . 19 1 1 A 12 12 HIS H H 12 7.928 8.258 -0.330 1
1 49 . 19 1 1 A 12 12 HIS CA C 12 55.443 54.578 0.865 1
1 50 . 19 1 1 A 12 12 HIS HA H 12 4.611 5.570 -0.959 1
1 51 . 19 1 1 A 12 12 HIS CB C 12 31.542 31.130 0.412 1
1 58 . 19 1 1 A 12 12 HIS C C 12 173.859 174.055 -0.196 1
1 59 . 19 1 1 A 13 13 TYR N N 13 120.629 124.219 -3.590 1
1 60 . 19 1 1 A 13 13 TYR H H 13 8.698 9.029 -0.331 1
1 61 . 19 1 1 A 13 13 TYR CA C 13 57.583 57.819 -0.236 1
1 62 . 19 1 1 A 13 13 TYR HA H 13 4.619 4.833 -0.214 1
1 63 . 19 1 1 A 13 13 TYR CB C 13 39.470 39.511 -0.041 1
1 74 . 19 1 1 A 13 13 TYR C C 13 174.783 175.461 -0.678 1
1 75 . 19 1 1 A 14 14 GLU N N 14 123.865 125.138 -1.273 1
1 76 . 19 1 1 A 14 14 GLU H H 14 8.733 8.835 -0.102 1
1 77 . 19 1 1 A 14 14 GLU CA C 14 55.094 55.367 -0.273 1
1 78 . 19 1 1 A 14 14 GLU HA H 14 4.934 5.308 -0.374 1
1 79 . 19 1 1 A 14 14 GLU CB C 14 32.824 31.399 1.425 1
1 85 . 19 1 1 A 14 14 GLU C C 14 175.407 175.943 -0.536 1
1 86 . 19 1 1 A 15 15 CYS N N 15 126.550 124.324 2.226 1
1 87 . 19 1 1 A 15 15 CYS H H 15 9.243 8.612 0.631 1
1 88 . 19 1 1 A 15 15 CYS CA C 15 59.494 58.072 1.422 1
1 89 . 19 1 1 A 15 15 CYS HA H 15 4.591 4.860 -0.269 1
1 90 . 19 1 1 A 15 15 CYS CB C 15 29.721 29.307 0.414 1
1 93 . 19 1 1 A 15 15 CYS C C 15 177.448 175.848 1.600 1
1 94 . 19 1 1 A 16 16 SER CA C 16 60.991 60.442 0.549 1
1 95 . 19 1 1 A 16 16 SER HA H 16 4.281 4.307 -0.026 1
1 96 . 19 1 1 A 16 16 SER CB C 16 63.004 62.800 0.204 1
1 99 . 19 1 1 A 16 16 SER C C 16 174.576 175.702 -1.126 1
1 100 . 19 1 1 A 17 17 GLU N N 17 122.766 121.194 1.572 1
1 101 . 19 1 1 A 17 17 GLU H H 17 8.641 7.716 0.925 1
1 102 . 19 1 1 A 17 17 GLU CA C 17 58.039 58.845 -0.806 1
1 103 . 19 1 1 A 17 17 GLU HA H 17 4.246 4.066 0.180 1
1 104 . 19 1 1 A 17 17 GLU CB C 17 29.583 29.867 -0.284 1
1 110 . 19 1 1 A 17 17 GLU C C 17 177.145 177.699 -0.554 1
1 111 . 19 1 1 A 18 18 CYS N N 18 114.540 115.791 -1.251 1
1 112 . 19 1 1 A 18 18 CYS H H 18 7.881 8.140 -0.259 1
1 113 . 19 1 1 A 18 18 CYS CA C 18 58.403 59.884 -1.481 1
1 114 . 19 1 1 A 18 18 CYS HA H 18 5.164 4.722 0.442 1
1 115 . 19 1 1 A 18 18 CYS CB C 18 32.532 29.922 2.610 1
1 118 . 19 1 1 A 18 18 CYS C C 18 176.314 175.541 0.773 1
1 119 . 19 1 1 A 19 19 GLY N N 19 113.441 110.081 3.360 1
1 120 . 19 1 1 A 19 19 GLY H H 19 8.210 8.104 0.106 1
1 121 . 19 1 1 A 19 19 GLY CA C 19 46.213 44.906 1.307 1
1 122 . 19 1 1 A 19 19 GLY HA2 H 19 3.866 4.096 -0.230 1
1 123 . 19 1 1 A 19 19 GLY HA3 H 19 4.209 4.112 0.097 1
1 124 . 19 1 1 A 19 19 GLY C C 19 173.754 174.471 -0.717 1
1 125 . 19 1 1 A 20 20 LYS N N 20 122.503 120.245 2.258 1
1 126 . 19 1 1 A 20 20 LYS H H 20 7.874 7.221 0.653 1
1 127 . 19 1 1 A 20 20 LYS CA C 20 57.935 56.165 1.770 1
1 128 . 19 1 1 A 20 20 LYS HA H 20 3.953 4.122 -0.169 1
1 129 . 19 1 1 A 20 20 LYS CB C 20 33.881 32.453 1.428 1
1 141 . 19 1 1 A 20 20 LYS C C 20 173.729 175.623 -1.894 1
1 142 . 19 1 1 A 21 21 ALA N N 21 123.153 128.445 -5.292 1
1 143 . 19 1 1 A 21 21 ALA H H 21 7.808 8.412 -0.604 1
1 144 . 19 1 1 A 21 21 ALA CA C 21 50.379 50.590 -0.211 1
1 145 . 19 1 1 A 21 21 ALA HA H 21 5.019 5.130 -0.111 1
1 146 . 19 1 1 A 21 21 ALA CB C 21 21.933 20.516 1.417 1
1 150 . 19 1 1 A 21 21 ALA C C 21 176.429 176.438 -0.009 1
1 151 . 19 1 1 A 22 22 PHE N N 22 117.263 120.126 -2.863 1
1 152 . 19 1 1 A 22 22 PHE H H 22 8.627 9.358 -0.731 1
1 153 . 19 1 1 A 22 22 PHE CA C 22 57.115 56.817 0.298 1
1 154 . 19 1 1 A 22 22 PHE HA H 22 4.730 5.066 -0.336 1
1 155 . 19 1 1 A 22 22 PHE CB C 22 43.753 42.677 1.076 1
1 168 . 19 1 1 A 22 22 PHE C C 22 175.254 175.992 -0.738 1
1 169 . 19 1 1 A 23 23 ALA CA C 23 53.560 54.059 -0.499 1
1 170 . 19 1 1 A 23 23 ALA HA H 23 4.507 4.432 0.075 1
1 171 . 19 1 1 A 23 23 ALA CB C 23 19.794 20.008 -0.214 1
1 175 . 19 1 1 A 23 23 ALA C C 23 177.450 177.640 -0.190 1
1 176 . 19 1 1 A 24 24 ARG N N 24 113.263 117.066 -3.803 1
1 177 . 19 1 1 A 24 24 ARG H H 24 7.468 7.864 -0.396 1
1 178 . 19 1 1 A 24 24 ARG CA C 24 53.899 54.974 -1.075 1
1 179 . 19 1 1 A 24 24 ARG HA H 24 4.741 4.662 0.079 1
1 180 . 19 1 1 A 24 24 ARG CB C 24 33.416 32.094 1.322 1
1 189 . 19 1 1 A 24 24 ARG C C 24 175.564 176.621 -1.057 1
1 190 . 19 1 1 A 25 25 LYS CA C 25 59.220 59.825 -0.605 1
1 191 . 19 1 1 A 25 25 LYS HA H 25 3.118 3.363 -0.245 1
1 192 . 19 1 1 A 25 25 LYS CB C 25 31.720 31.832 -0.112 1
1 204 . 19 1 1 A 25 25 LYS C C 25 178.185 177.859 0.326 1
1 205 . 19 1 1 A 26 26 SER N N 26 112.513 114.724 -2.211 1
1 206 . 19 1 1 A 26 26 SER H H 26 8.477 8.380 0.097 1
1 207 . 19 1 1 A 26 26 SER CA C 26 61.122 61.486 -0.364 1
1 208 . 19 1 1 A 26 26 SER HA H 26 3.915 4.091 -0.176 1
1 209 . 19 1 1 A 26 26 SER CB C 26 61.354 62.273 -0.919 1
1 212 . 19 1 1 A 26 26 SER C C 26 177.077 176.866 0.211 1
1 213 . 19 1 1 A 27 27 THR N N 27 117.989 116.916 1.073 1
1 214 . 19 1 1 A 27 27 THR H H 27 6.929 7.964 -1.035 1
1 215 . 19 1 1 A 27 27 THR CA C 27 65.178 67.283 -2.105 1
1 216 . 19 1 1 A 27 27 THR HA H 27 3.875 3.831 0.044 1
1 217 . 19 1 1 A 27 27 THR CB C 27 67.995 68.344 -0.349 1
1 223 . 19 1 1 A 27 27 THR C C 27 176.325 176.119 0.206 1
1 224 . 19 1 1 A 28 28 LEU N N 28 123.865 120.708 3.157 1
1 225 . 19 1 1 A 28 28 LEU H H 28 7.075 7.550 -0.475 1
1 226 . 19 1 1 A 28 28 LEU CA C 28 58.313 58.046 0.267 1
1 227 . 19 1 1 A 28 28 LEU HA H 28 3.255 2.904 0.351 1
1 228 . 19 1 1 A 28 28 LEU CB C 28 40.195 41.425 -1.230 1
1 241 . 19 1 1 A 28 28 LEU C C 28 177.531 178.435 -0.904 1
1 242 . 19 1 1 A 29 29 ILE N N 29 119.337 119.804 -0.467 1
1 243 . 19 1 1 A 29 29 ILE H H 29 8.208 7.595 0.613 1
1 244 . 19 1 1 A 29 29 ILE CA C 29 64.671 65.404 -0.733 1
1 245 . 19 1 1 A 29 29 ILE HA H 29 3.738 3.530 0.208 1
1 246 . 19 1 1 A 29 29 ILE CB C 29 37.489 37.473 0.016 1
1 259 . 19 1 1 A 29 29 ILE C C 29 179.113 177.721 1.392 1
1 260 . 19 1 1 A 30 30 MET N N 30 117.854 118.275 -0.421 1
1 261 . 19 1 1 A 30 30 MET H H 30 7.452 7.963 -0.511 1
1 262 . 19 1 1 A 30 30 MET CA C 30 58.365 58.883 -0.518 1
1 263 . 19 1 1 A 30 30 MET HA H 30 4.111 3.997 0.114 1
1 264 . 19 1 1 A 30 30 MET CB C 30 32.273 32.115 0.158 1
1 274 . 19 1 1 A 30 30 MET C C 30 178.944 178.487 0.457 1
1 275 . 19 1 1 A 31 31 HIS N N 31 120.334 119.734 0.600 1
1 276 . 19 1 1 A 31 31 HIS H H 31 7.948 7.825 0.123 1
1 277 . 19 1 1 A 31 31 HIS CA C 31 59.151 59.374 -0.223 1
1 278 . 19 1 1 A 31 31 HIS HA H 31 4.157 4.179 -0.022 1
1 279 . 19 1 1 A 31 31 HIS CB C 31 28.008 29.685 -1.677 1
1 286 . 19 1 1 A 31 31 HIS C C 31 176.320 177.021 -0.701 1
1 287 . 19 1 1 A 32 32 GLN N N 32 115.623 117.359 -1.736 1
1 288 . 19 1 1 A 32 32 GLN H H 32 8.424 8.472 -0.048 1
1 289 . 19 1 1 A 32 32 GLN CA C 32 59.493 59.196 0.297 1
1 290 . 19 1 1 A 32 32 GLN HA H 32 3.663 3.909 -0.246 1
1 291 . 19 1 1 A 32 32 GLN CB C 32 28.305 28.395 -0.090 1
1 300 . 19 1 1 A 32 32 GLN C C 32 177.429 178.609 -1.180 1
1 301 . 19 1 1 A 33 33 ARG N N 33 117.693 119.737 -2.044 1
1 302 . 19 1 1 A 33 33 ARG H H 33 7.178 7.599 -0.421 1
1 303 . 19 1 1 A 33 33 ARG CA C 33 58.554 58.928 -0.374 1
1 304 . 19 1 1 A 33 33 ARG HA H 33 4.136 3.997 0.139 1
1 305 . 19 1 1 A 33 33 ARG CB C 33 30.111 29.880 0.231 1
1 314 . 19 1 1 A 33 33 ARG C C 33 178.642 178.686 -0.044 1
1 315 . 19 1 1 A 34 34 ILE N N 34 116.231 118.124 -1.893 1
1 316 . 19 1 1 A 34 34 ILE H H 34 7.835 7.975 -0.140 1
1 317 . 19 1 1 A 34 34 ILE CA C 34 63.054 64.180 -1.126 1
1 318 . 19 1 1 A 34 34 ILE HA H 34 3.974 3.739 0.235 1
1 319 . 19 1 1 A 34 34 ILE CB C 34 37.687 37.257 0.430 1
1 332 . 19 1 1 A 34 34 ILE C C 34 177.429 177.584 -0.155 1
1 333 . 19 1 1 A 35 35 HIS N N 35 117.721 119.924 -2.203 1
1 334 . 19 1 1 A 35 35 HIS H H 35 7.202 7.406 -0.204 1
1 335 . 19 1 1 A 35 35 HIS CA C 35 55.257 58.597 -3.340 1
1 336 . 19 1 1 A 35 35 HIS HA H 35 4.853 4.404 0.449 1
1 337 . 19 1 1 A 35 35 HIS CB C 35 28.493 30.171 -1.678 1
1 344 . 19 1 1 A 35 35 HIS C C 35 175.814 176.602 -0.788 1
1 345 . 19 1 1 A 36 36 THR N N 36 111.765 112.284 -0.519 1
1 346 . 19 1 1 A 36 36 THR H H 36 7.763 7.752 0.011 1
1 347 . 19 1 1 A 36 36 THR CA C 36 62.569 63.899 -1.330 1
1 348 . 19 1 1 A 36 36 THR HA H 36 4.350 3.901 0.449 1
1 349 . 19 1 1 A 36 36 THR CB C 36 69.804 68.482 1.322 1
1 355 . 19 1 1 A 36 36 THR C C 36 175.474 175.679 -0.205 1
1 356 . 19 1 1 A 37 37 GLY N N 37 110.608 116.034 -5.426 1
1 357 . 19 1 1 A 37 37 GLY H H 37 8.218 8.951 -0.733 1
1 358 . 19 1 1 A 37 37 GLY CA C 37 45.399 46.328 -0.929 1
1 359 . 19 1 1 A 37 37 GLY HA2 H 37 3.955 3.986 -0.031 1
1 360 . 19 1 1 A 37 37 GLY HA3 H 37 4.026 3.991 0.035 1
1 361 . 19 1 1 A 37 37 GLY C C 37 174.038 174.532 -0.494 1
1 362 . 19 1 1 A 38 38 GLU N N 38 120.485 119.030 1.455 1
1 363 . 19 1 1 A 38 38 GLU H H 38 8.221 7.837 0.384 1
1 364 . 19 1 1 A 38 38 GLU CA C 38 56.456 55.305 1.151 1
1 365 . 19 1 1 A 38 38 GLU HA H 38 4.219 4.614 -0.395 1
1 366 . 19 1 1 A 38 38 GLU CB C 38 30.482 31.255 -0.773 1
1 371 . 19 1 1 A 38 38 GLU C C 38 176.231 176.327 -0.096 1
1 372 . 19 1 1 A 39 39 LYS N N 39 123.785 121.897 1.888 1
1 373 . 19 1 1 A 39 39 LYS H H 39 8.387 8.317 0.070 1
1 374 . 19 1 1 A 39 39 LYS CA C 39 54.108 54.361 -0.253 1
1 375 . 19 1 1 A 39 39 LYS HA H 39 4.607 4.553 0.054 1
1 376 . 19 1 1 A 39 39 LYS CB C 39 32.499 31.711 0.788 1
1 388 . 19 1 1 A 39 39 LYS C C 39 174.519 175.001 -0.482 1
1 389 . 19 1 1 A 40 40 PRO CA C 40 63.238 62.541 0.697 1
1 390 . 19 1 1 A 40 40 PRO HA H 40 4.463 4.715 -0.252 1
1 391 . 19 1 1 A 40 40 PRO CB C 40 32.180 29.718 2.462 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.453 45.370 0.083 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 4.042 4.101 -0.059 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 4.042 4.102 -0.060 1
1 4 . 20 1 1 A 7 7 GLY C C 7 174.573 174.053 0.520 1
1 5 . 20 1 1 A 8 8 THR N N 8 112.804 114.397 -1.593 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.143 7.748 0.395 1
1 7 . 20 1 1 A 8 8 THR CA C 8 62.075 60.638 1.437 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.367 4.653 -0.286 1
1 9 . 20 1 1 A 8 8 THR CB C 8 69.768 69.803 -0.035 1
1 15 . 20 1 1 A 8 8 THR C C 8 175.337 173.587 1.750 1
1 16 . 20 1 1 A 9 9 GLY N N 9 110.991 110.479 0.512 1
1 17 . 20 1 1 A 9 9 GLY H H 9 8.462 7.838 0.624 1
1 18 . 20 1 1 A 9 9 GLY CA C 9 45.399 45.289 0.110 1
1 19 . 20 1 1 A 9 9 GLY HA2 H 9 4.023 4.083 -0.060 1
1 20 . 20 1 1 A 9 9 GLY HA3 H 9 3.951 4.085 -0.134 1
1 21 . 20 1 1 A 9 9 GLY C C 9 174.073 172.811 1.262 1
1 22 . 20 1 1 A 10 10 GLU N N 10 120.581 122.392 -1.811 1
1 23 . 20 1 1 A 10 10 GLU H H 10 8.079 8.586 -0.507 1
1 24 . 20 1 1 A 10 10 GLU CA C 10 56.456 55.762 0.694 1
1 25 . 20 1 1 A 10 10 GLU HA H 10 4.242 4.679 -0.437 1
1 26 . 20 1 1 A 10 10 GLU CB C 10 30.527 31.442 -0.915 1
1 32 . 20 1 1 A 10 10 GLU C C 10 176.271 175.517 0.754 1
1 33 . 20 1 1 A 11 11 ARG N N 11 122.007 123.981 -1.974 1
1 34 . 20 1 1 A 11 11 ARG H H 11 8.340 8.785 -0.445 1
1 35 . 20 1 1 A 11 11 ARG CA C 11 55.538 54.684 0.854 1
1 36 . 20 1 1 A 11 11 ARG HA H 11 4.226 4.649 -0.423 1
1 37 . 20 1 1 A 11 11 ARG CB C 11 30.611 30.870 -0.259 1
1 46 . 20 1 1 A 11 11 ARG C C 11 174.992 174.944 0.048 1
1 47 . 20 1 1 A 12 12 HIS N N 12 119.313 122.276 -2.963 1
1 48 . 20 1 1 A 12 12 HIS H H 12 7.928 8.398 -0.470 1
1 49 . 20 1 1 A 12 12 HIS CA C 12 55.443 55.420 0.023 1
1 50 . 20 1 1 A 12 12 HIS HA H 12 4.611 5.203 -0.592 1
1 51 . 20 1 1 A 12 12 HIS CB C 12 31.542 30.130 1.412 1
1 58 . 20 1 1 A 12 12 HIS C C 12 173.859 174.522 -0.663 1
1 59 . 20 1 1 A 13 13 TYR N N 13 120.629 124.329 -3.700 1
1 60 . 20 1 1 A 13 13 TYR H H 13 8.698 8.888 -0.190 1
1 61 . 20 1 1 A 13 13 TYR CA C 13 57.583 57.902 -0.319 1
1 62 . 20 1 1 A 13 13 TYR HA H 13 4.619 4.838 -0.219 1
1 63 . 20 1 1 A 13 13 TYR CB C 13 39.470 39.413 0.057 1
1 74 . 20 1 1 A 13 13 TYR C C 13 174.783 175.503 -0.720 1
1 75 . 20 1 1 A 14 14 GLU N N 14 123.865 125.281 -1.416 1
1 76 . 20 1 1 A 14 14 GLU H H 14 8.733 8.768 -0.035 1
1 77 . 20 1 1 A 14 14 GLU CA C 14 55.094 55.153 -0.059 1
1 78 . 20 1 1 A 14 14 GLU HA H 14 4.934 5.361 -0.427 1
1 79 . 20 1 1 A 14 14 GLU CB C 14 32.824 31.322 1.502 1
1 85 . 20 1 1 A 14 14 GLU C C 14 175.407 175.805 -0.398 1
1 86 . 20 1 1 A 15 15 CYS N N 15 126.550 124.247 2.303 1
1 87 . 20 1 1 A 15 15 CYS H H 15 9.243 8.640 0.603 1
1 88 . 20 1 1 A 15 15 CYS CA C 15 59.494 58.066 1.428 1
1 89 . 20 1 1 A 15 15 CYS HA H 15 4.591 4.849 -0.258 1
1 90 . 20 1 1 A 15 15 CYS CB C 15 29.721 29.203 0.518 1
1 93 . 20 1 1 A 15 15 CYS C C 15 177.448 175.838 1.610 1
1 94 . 20 1 1 A 16 16 SER CA C 16 60.991 60.353 0.638 1
1 95 . 20 1 1 A 16 16 SER HA H 16 4.281 4.299 -0.018 1
1 96 . 20 1 1 A 16 16 SER CB C 16 63.004 62.802 0.202 1
1 99 . 20 1 1 A 16 16 SER C C 16 174.576 175.753 -1.177 1
1 100 . 20 1 1 A 17 17 GLU N N 17 122.766 121.155 1.611 1
1 101 . 20 1 1 A 17 17 GLU H H 17 8.641 7.776 0.865 1
1 102 . 20 1 1 A 17 17 GLU CA C 17 58.039 58.724 -0.685 1
1 103 . 20 1 1 A 17 17 GLU HA H 17 4.246 4.075 0.171 1
1 104 . 20 1 1 A 17 17 GLU CB C 17 29.583 29.885 -0.302 1
1 110 . 20 1 1 A 17 17 GLU C C 17 177.145 177.849 -0.704 1
1 111 . 20 1 1 A 18 18 CYS N N 18 114.540 115.811 -1.271 1
1 112 . 20 1 1 A 18 18 CYS H H 18 7.881 8.068 -0.187 1
1 113 . 20 1 1 A 18 18 CYS CA C 18 58.403 59.635 -1.232 1
1 114 . 20 1 1 A 18 18 CYS HA H 18 5.164 4.575 0.589 1
1 115 . 20 1 1 A 18 18 CYS CB C 18 32.532 29.690 2.842 1
1 118 . 20 1 1 A 18 18 CYS C C 18 176.314 175.224 1.090 1
1 119 . 20 1 1 A 19 19 GLY N N 19 113.441 110.402 3.039 1
1 120 . 20 1 1 A 19 19 GLY H H 19 8.210 8.064 0.146 1
1 121 . 20 1 1 A 19 19 GLY CA C 19 46.213 45.105 1.108 1
1 122 . 20 1 1 A 19 19 GLY HA2 H 19 3.866 4.067 -0.201 1
1 123 . 20 1 1 A 19 19 GLY HA3 H 19 4.209 4.080 0.129 1
1 124 . 20 1 1 A 19 19 GLY C C 19 173.754 174.395 -0.641 1
1 125 . 20 1 1 A 20 20 LYS N N 20 122.503 121.987 0.516 1
1 126 . 20 1 1 A 20 20 LYS H H 20 7.874 7.561 0.313 1
1 127 . 20 1 1 A 20 20 LYS CA C 20 57.935 55.470 2.465 1
1 128 . 20 1 1 A 20 20 LYS HA H 20 3.953 4.366 -0.413 1
1 129 . 20 1 1 A 20 20 LYS CB C 20 33.881 33.236 0.645 1
1 141 . 20 1 1 A 20 20 LYS C C 20 173.729 175.833 -2.104 1
1 142 . 20 1 1 A 21 21 ALA N N 21 123.153 128.902 -5.749 1
1 143 . 20 1 1 A 21 21 ALA H H 21 7.808 8.479 -0.671 1
1 144 . 20 1 1 A 21 21 ALA CA C 21 50.379 50.962 -0.583 1
1 145 . 20 1 1 A 21 21 ALA HA H 21 5.019 5.380 -0.361 1
1 146 . 20 1 1 A 21 21 ALA CB C 21 21.933 20.951 0.982 1
1 150 . 20 1 1 A 21 21 ALA C C 21 176.429 176.548 -0.119 1
1 151 . 20 1 1 A 22 22 PHE N N 22 117.263 118.310 -1.047 1
1 152 . 20 1 1 A 22 22 PHE H H 22 8.627 8.921 -0.294 1
1 153 . 20 1 1 A 22 22 PHE CA C 22 57.115 56.854 0.261 1
1 154 . 20 1 1 A 22 22 PHE HA H 22 4.730 4.988 -0.258 1
1 155 . 20 1 1 A 22 22 PHE CB C 22 43.753 43.712 0.041 1
1 168 . 20 1 1 A 22 22 PHE C C 22 175.254 175.735 -0.481 1
1 169 . 20 1 1 A 23 23 ALA CA C 23 53.560 54.161 -0.601 1
1 170 . 20 1 1 A 23 23 ALA HA H 23 4.507 4.428 0.079 1
1 171 . 20 1 1 A 23 23 ALA CB C 23 19.794 20.046 -0.252 1
1 175 . 20 1 1 A 23 23 ALA C C 23 177.450 177.049 0.401 1
1 176 . 20 1 1 A 24 24 ARG N N 24 113.263 117.223 -3.960 1
1 177 . 20 1 1 A 24 24 ARG H H 24 7.468 7.918 -0.450 1
1 178 . 20 1 1 A 24 24 ARG CA C 24 53.899 54.367 -0.468 1
1 179 . 20 1 1 A 24 24 ARG HA H 24 4.741 4.671 0.070 1
1 180 . 20 1 1 A 24 24 ARG CB C 24 33.416 31.978 1.438 1
1 189 . 20 1 1 A 24 24 ARG C C 24 175.564 176.747 -1.183 1
1 190 . 20 1 1 A 25 25 LYS CA C 25 59.220 59.056 0.164 1
1 191 . 20 1 1 A 25 25 LYS HA H 25 3.118 3.255 -0.137 1
1 192 . 20 1 1 A 25 25 LYS CB C 25 31.720 31.862 -0.142 1
1 204 . 20 1 1 A 25 25 LYS C C 25 178.185 177.768 0.417 1
1 205 . 20 1 1 A 26 26 SER N N 26 112.513 114.239 -1.726 1
1 206 . 20 1 1 A 26 26 SER H H 26 8.477 7.736 0.741 1
1 207 . 20 1 1 A 26 26 SER CA C 26 61.122 61.550 -0.428 1
1 208 . 20 1 1 A 26 26 SER HA H 26 3.915 4.048 -0.133 1
1 209 . 20 1 1 A 26 26 SER CB C 26 61.354 63.139 -1.785 1
1 212 . 20 1 1 A 26 26 SER C C 26 177.077 176.949 0.128 1
1 213 . 20 1 1 A 27 27 THR N N 27 117.989 115.947 2.042 1
1 214 . 20 1 1 A 27 27 THR H H 27 6.929 8.118 -1.189 1
1 215 . 20 1 1 A 27 27 THR CA C 27 65.178 66.541 -1.363 1
1 216 . 20 1 1 A 27 27 THR HA H 27 3.875 3.868 0.007 1
1 217 . 20 1 1 A 27 27 THR CB C 27 67.995 68.546 -0.551 1
1 223 . 20 1 1 A 27 27 THR C C 27 176.325 175.788 0.537 1
1 224 . 20 1 1 A 28 28 LEU N N 28 123.865 121.034 2.831 1
1 225 . 20 1 1 A 28 28 LEU H H 28 7.075 7.850 -0.775 1
1 226 . 20 1 1 A 28 28 LEU CA C 28 58.313 57.602 0.711 1
1 227 . 20 1 1 A 28 28 LEU HA H 28 3.255 2.913 0.342 1
1 228 . 20 1 1 A 28 28 LEU CB C 28 40.195 41.459 -1.264 1
1 241 . 20 1 1 A 28 28 LEU C C 28 177.531 178.489 -0.958 1
1 242 . 20 1 1 A 29 29 ILE N N 29 119.337 120.065 -0.728 1
1 243 . 20 1 1 A 29 29 ILE H H 29 8.208 8.250 -0.042 1
1 244 . 20 1 1 A 29 29 ILE CA C 29 64.671 65.240 -0.569 1
1 245 . 20 1 1 A 29 29 ILE HA H 29 3.738 3.526 0.212 1
1 246 . 20 1 1 A 29 29 ILE CB C 29 37.489 37.764 -0.275 1
1 259 . 20 1 1 A 29 29 ILE C C 29 179.113 177.901 1.212 1
1 260 . 20 1 1 A 30 30 MET N N 30 117.854 117.870 -0.016 1
1 261 . 20 1 1 A 30 30 MET H H 30 7.452 7.872 -0.420 1
1 262 . 20 1 1 A 30 30 MET CA C 30 58.365 59.100 -0.735 1
1 263 . 20 1 1 A 30 30 MET HA H 30 4.111 4.006 0.105 1
1 264 . 20 1 1 A 30 30 MET CB C 30 32.273 32.315 -0.042 1
1 274 . 20 1 1 A 30 30 MET C C 30 178.944 178.499 0.445 1
1 275 . 20 1 1 A 31 31 HIS N N 31 120.334 119.513 0.821 1
1 276 . 20 1 1 A 31 31 HIS H H 31 7.948 7.800 0.148 1
1 277 . 20 1 1 A 31 31 HIS CA C 31 59.151 60.005 -0.854 1
1 278 . 20 1 1 A 31 31 HIS HA H 31 4.157 4.201 -0.044 1
1 279 . 20 1 1 A 31 31 HIS CB C 31 28.008 29.445 -1.437 1
1 286 . 20 1 1 A 31 31 HIS C C 31 176.320 177.122 -0.802 1
1 287 . 20 1 1 A 32 32 GLN N N 32 115.623 117.686 -2.063 1
1 288 . 20 1 1 A 32 32 GLN H H 32 8.424 8.324 0.100 1
1 289 . 20 1 1 A 32 32 GLN CA C 32 59.493 59.090 0.403 1
1 290 . 20 1 1 A 32 32 GLN HA H 32 3.663 3.999 -0.336 1
1 291 . 20 1 1 A 32 32 GLN CB C 32 28.305 28.306 -0.001 1
1 300 . 20 1 1 A 32 32 GLN C C 32 177.429 178.517 -1.088 1
1 301 . 20 1 1 A 33 33 ARG N N 33 117.693 119.351 -1.658 1
1 302 . 20 1 1 A 33 33 ARG H H 33 7.178 7.756 -0.578 1
1 303 . 20 1 1 A 33 33 ARG CA C 33 58.554 58.574 -0.020 1
1 304 . 20 1 1 A 33 33 ARG HA H 33 4.136 4.320 -0.184 1
1 305 . 20 1 1 A 33 33 ARG CB C 33 30.111 29.808 0.303 1
1 314 . 20 1 1 A 33 33 ARG C C 33 178.642 178.672 -0.030 1
1 315 . 20 1 1 A 34 34 ILE N N 34 116.231 115.842 0.389 1
1 316 . 20 1 1 A 34 34 ILE H H 34 7.835 7.706 0.129 1
1 317 . 20 1 1 A 34 34 ILE CA C 34 63.054 63.524 -0.470 1
1 318 . 20 1 1 A 34 34 ILE HA H 34 3.974 3.735 0.239 1
1 319 . 20 1 1 A 34 34 ILE CB C 34 37.687 36.898 0.789 1
1 332 . 20 1 1 A 34 34 ILE C C 34 177.429 176.847 0.582 1
1 333 . 20 1 1 A 35 35 HIS N N 35 117.721 119.305 -1.584 1
1 334 . 20 1 1 A 35 35 HIS H H 35 7.202 8.014 -0.812 1
1 335 . 20 1 1 A 35 35 HIS CA C 35 55.257 56.750 -1.493 1
1 336 . 20 1 1 A 35 35 HIS HA H 35 4.853 4.666 0.187 1
1 337 . 20 1 1 A 35 35 HIS CB C 35 28.493 31.204 -2.711 1
1 344 . 20 1 1 A 35 35 HIS C C 35 175.814 175.194 0.620 1
1 345 . 20 1 1 A 36 36 THR N N 36 111.765 111.838 -0.073 1
1 346 . 20 1 1 A 36 36 THR H H 36 7.763 7.523 0.240 1
1 347 . 20 1 1 A 36 36 THR CA C 36 62.569 62.132 0.437 1
1 348 . 20 1 1 A 36 36 THR HA H 36 4.350 4.281 0.069 1
1 349 . 20 1 1 A 36 36 THR CB C 36 69.804 69.115 0.689 1
1 355 . 20 1 1 A 36 36 THR C C 36 175.474 175.312 0.162 1
1 356 . 20 1 1 A 37 37 GLY N N 37 110.608 111.409 -0.801 1
1 357 . 20 1 1 A 37 37 GLY H H 37 8.218 8.496 -0.278 1
1 358 . 20 1 1 A 37 37 GLY CA C 37 45.399 44.754 0.645 1
1 359 . 20 1 1 A 37 37 GLY HA2 H 37 3.955 4.183 -0.228 1
1 360 . 20 1 1 A 37 37 GLY HA3 H 37 4.026 4.191 -0.165 1
1 361 . 20 1 1 A 37 37 GLY C C 37 174.038 172.867 1.171 1
1 362 . 20 1 1 A 38 38 GLU N N 38 120.485 117.522 2.963 1
1 363 . 20 1 1 A 38 38 GLU H H 38 8.221 8.436 -0.215 1
1 364 . 20 1 1 A 38 38 GLU CA C 38 56.456 56.156 0.300 1
1 365 . 20 1 1 A 38 38 GLU HA H 38 4.219 4.343 -0.124 1
1 366 . 20 1 1 A 38 38 GLU CB C 38 30.482 30.338 0.144 1
1 371 . 20 1 1 A 38 38 GLU C C 38 176.231 176.429 -0.198 1
1 372 . 20 1 1 A 39 39 LYS N N 39 123.785 120.410 3.375 1
1 373 . 20 1 1 A 39 39 LYS H H 39 8.387 8.683 -0.296 1
1 374 . 20 1 1 A 39 39 LYS CA C 39 54.108 52.935 1.173 1
1 375 . 20 1 1 A 39 39 LYS HA H 39 4.607 4.855 -0.248 1
1 376 . 20 1 1 A 39 39 LYS CB C 39 32.499 34.795 -2.296 1
1 388 . 20 1 1 A 39 39 LYS C C 39 174.519 173.808 0.711 1
1 389 . 20 1 1 A 40 40 PRO CA C 40 63.238 62.718 0.520 1
1 390 . 20 1 1 A 40 40 PRO HA H 40 4.463 4.675 -0.212 1
1 391 . 20 1 1 A 40 40 PRO CB C 40 32.180 32.689 -0.509 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 34 1.151 1
3 1 1 1 "RMS(OBS, PRED)" CB 30 1.090 1
4 1 1 1 "RMS(OBS, PRED)" H 29 0.493 1
5 1 1 1 "RMS(OBS, PRED)" HA 38 0.333 1
6 1 1 1 "RMS(OBS, PRED)" N 29 2.619 1
7 1 2 1 "RMS(OBS, PRED)" C 33 0.794 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.193 1
9 1 2 1 "RMS(OBS, PRED)" CB 30 1.334 1
10 1 2 1 "RMS(OBS, PRED)" H 29 0.539 1
11 1 2 1 "RMS(OBS, PRED)" HA 38 0.356 1
12 1 2 1 "RMS(OBS, PRED)" N 29 2.542 1
13 1 3 1 "RMS(OBS, PRED)" C 33 1.014 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.222 1
15 1 3 1 "RMS(OBS, PRED)" CB 30 1.249 1
16 1 3 1 "RMS(OBS, PRED)" H 29 0.530 1
17 1 3 1 "RMS(OBS, PRED)" HA 38 0.318 1
18 1 3 1 "RMS(OBS, PRED)" N 29 2.720 1
19 1 4 1 "RMS(OBS, PRED)" C 33 0.963 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.076 1
21 1 4 1 "RMS(OBS, PRED)" CB 30 1.204 1
22 1 4 1 "RMS(OBS, PRED)" H 29 0.454 1
23 1 4 1 "RMS(OBS, PRED)" HA 38 0.265 1
24 1 4 1 "RMS(OBS, PRED)" N 29 2.466 1
25 1 5 1 "RMS(OBS, PRED)" C 33 0.953 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 1.301 1
27 1 5 1 "RMS(OBS, PRED)" CB 30 1.220 1
28 1 5 1 "RMS(OBS, PRED)" H 29 0.466 1
29 1 5 1 "RMS(OBS, PRED)" HA 38 0.348 1
30 1 5 1 "RMS(OBS, PRED)" N 29 2.436 1
31 1 6 1 "RMS(OBS, PRED)" C 33 1.070 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 1.354 1
33 1 6 1 "RMS(OBS, PRED)" CB 30 1.091 1
34 1 6 1 "RMS(OBS, PRED)" H 29 0.526 1
35 1 6 1 "RMS(OBS, PRED)" HA 38 0.298 1
36 1 6 1 "RMS(OBS, PRED)" N 29 2.598 1
37 1 7 1 "RMS(OBS, PRED)" C 33 0.924 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.095 1
39 1 7 1 "RMS(OBS, PRED)" CB 30 1.204 1
40 1 7 1 "RMS(OBS, PRED)" H 29 0.431 1
41 1 7 1 "RMS(OBS, PRED)" HA 38 0.304 1
42 1 7 1 "RMS(OBS, PRED)" N 29 2.705 1
43 1 8 1 "RMS(OBS, PRED)" C 33 0.817 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.163 1
45 1 8 1 "RMS(OBS, PRED)" CB 30 1.056 1
46 1 8 1 "RMS(OBS, PRED)" H 29 0.490 1
47 1 8 1 "RMS(OBS, PRED)" HA 38 0.310 1
48 1 8 1 "RMS(OBS, PRED)" N 29 2.821 1
49 1 9 1 "RMS(OBS, PRED)" C 33 0.876 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.181 1
51 1 9 1 "RMS(OBS, PRED)" CB 30 1.177 1
52 1 9 1 "RMS(OBS, PRED)" H 29 0.483 1
53 1 9 1 "RMS(OBS, PRED)" HA 38 0.327 1
54 1 9 1 "RMS(OBS, PRED)" N 29 3.105 1
55 1 10 1 "RMS(OBS, PRED)" C 33 0.977 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.003 1
57 1 10 1 "RMS(OBS, PRED)" CB 30 1.272 1
58 1 10 1 "RMS(OBS, PRED)" H 29 0.434 1
59 1 10 1 "RMS(OBS, PRED)" HA 38 0.279 1
60 1 10 1 "RMS(OBS, PRED)" N 29 2.745 1
61 1 11 1 "RMS(OBS, PRED)" C 33 0.993 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.420 1
63 1 11 1 "RMS(OBS, PRED)" CB 30 1.226 1
64 1 11 1 "RMS(OBS, PRED)" H 29 0.462 1
65 1 11 1 "RMS(OBS, PRED)" HA 38 0.261 1
66 1 11 1 "RMS(OBS, PRED)" N 29 2.283 1
67 1 12 1 "RMS(OBS, PRED)" C 33 0.874 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.223 1
69 1 12 1 "RMS(OBS, PRED)" CB 30 1.393 1
70 1 12 1 "RMS(OBS, PRED)" H 29 0.474 1
71 1 12 1 "RMS(OBS, PRED)" HA 38 0.293 1
72 1 12 1 "RMS(OBS, PRED)" N 29 2.371 1
73 1 13 1 "RMS(OBS, PRED)" C 33 0.916 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.160 1
75 1 13 1 "RMS(OBS, PRED)" CB 30 1.089 1
76 1 13 1 "RMS(OBS, PRED)" H 29 0.429 1
77 1 13 1 "RMS(OBS, PRED)" HA 38 0.307 1
78 1 13 1 "RMS(OBS, PRED)" N 29 2.918 1
79 1 14 1 "RMS(OBS, PRED)" C 33 0.755 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.059 1
81 1 14 1 "RMS(OBS, PRED)" CB 30 1.047 1
82 1 14 1 "RMS(OBS, PRED)" H 29 0.538 1
83 1 14 1 "RMS(OBS, PRED)" HA 38 0.289 1
84 1 14 1 "RMS(OBS, PRED)" N 29 2.668 1
85 1 15 1 "RMS(OBS, PRED)" C 33 0.976 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.121 1
87 1 15 1 "RMS(OBS, PRED)" CB 30 1.197 1
88 1 15 1 "RMS(OBS, PRED)" H 29 0.513 1
89 1 15 1 "RMS(OBS, PRED)" HA 38 0.328 1
90 1 15 1 "RMS(OBS, PRED)" N 29 2.593 1
91 1 16 1 "RMS(OBS, PRED)" C 33 0.890 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.206 1
93 1 16 1 "RMS(OBS, PRED)" CB 30 1.012 1
94 1 16 1 "RMS(OBS, PRED)" H 29 0.483 1
95 1 16 1 "RMS(OBS, PRED)" HA 38 0.364 1
96 1 16 1 "RMS(OBS, PRED)" N 29 3.046 1
97 1 17 1 "RMS(OBS, PRED)" C 33 0.880 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 0.884 1
99 1 17 1 "RMS(OBS, PRED)" CB 30 1.247 1
100 1 17 1 "RMS(OBS, PRED)" H 29 0.499 1
101 1 17 1 "RMS(OBS, PRED)" HA 38 0.274 1
102 1 17 1 "RMS(OBS, PRED)" N 29 2.503 1
103 1 18 1 "RMS(OBS, PRED)" C 33 0.817 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.129 1
105 1 18 1 "RMS(OBS, PRED)" CB 30 0.993 1
106 1 18 1 "RMS(OBS, PRED)" H 29 0.453 1
107 1 18 1 "RMS(OBS, PRED)" HA 38 0.303 1
108 1 18 1 "RMS(OBS, PRED)" N 29 2.603 1
109 1 19 1 "RMS(OBS, PRED)" C 33 0.764 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 1.349 1
111 1 19 1 "RMS(OBS, PRED)" CB 30 1.117 1
112 1 19 1 "RMS(OBS, PRED)" H 29 0.496 1
113 1 19 1 "RMS(OBS, PRED)" HA 38 0.301 1
114 1 19 1 "RMS(OBS, PRED)" N 29 2.669 1
115 1 20 1 "RMS(OBS, PRED)" C 33 0.910 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 0.875 1
117 1 20 1 "RMS(OBS, PRED)" CB 30 1.152 1
118 1 20 1 "RMS(OBS, PRED)" H 29 0.511 1
119 1 20 1 "RMS(OBS, PRED)" HA 38 0.265 1
120 1 20 1 "RMS(OBS, PRED)" N 29 2.316 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.453 45.471 -0.018 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 4.042 4.050 -0.008 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 4.042 4.057 -0.015 2
1 4 . 1 1 A 7 7 GLY C C 7 174.573 174.063 0.510 2
1 5 . 1 1 A 8 8 THR N N 8 112.804 115.285 -2.481 2
1 6 . 1 1 A 8 8 THR H H 8 8.143 8.268 -0.125 2
1 7 . 1 1 A 8 8 THR CA C 8 62.075 62.207 -0.132 2
1 8 . 1 1 A 8 8 THR HA H 8 4.367 4.501 -0.134 2
1 9 . 1 1 A 8 8 THR CB C 8 69.768 70.079 -0.311 2
1 15 . 1 1 A 8 8 THR C C 8 175.337 174.589 0.748 2
1 16 . 1 1 A 9 9 GLY N N 9 110.991 111.013 -0.022 2
1 17 . 1 1 A 9 9 GLY H H 9 8.462 8.245 0.217 2
1 18 . 1 1 A 9 9 GLY CA C 9 45.399 46.008 -0.609 2
1 19 . 1 1 A 9 9 GLY HA2 H 9 4.023 4.071 -0.048 2
1 20 . 1 1 A 9 9 GLY HA3 H 9 3.951 4.085 -0.134 2
1 21 . 1 1 A 9 9 GLY C C 9 174.073 173.675 0.398 2
1 22 . 1 1 A 10 10 GLU N N 10 120.581 121.598 -1.017 2
1 23 . 1 1 A 10 10 GLU H H 10 8.079 8.420 -0.341 2
1 24 . 1 1 A 10 10 GLU CA C 10 56.456 56.343 0.114 2
1 25 . 1 1 A 10 10 GLU HA H 10 4.242 4.493 -0.251 2
1 26 . 1 1 A 10 10 GLU CB C 10 30.527 30.702 -0.175 2
1 32 . 1 1 A 10 10 GLU C C 10 176.271 176.244 0.027 2
1 33 . 1 1 A 11 11 ARG N N 11 122.007 123.460 -1.453 2
1 34 . 1 1 A 11 11 ARG H H 11 8.340 8.525 -0.185 2
1 35 . 1 1 A 11 11 ARG CA C 11 55.538 55.512 0.026 2
1 36 . 1 1 A 11 11 ARG HA H 11 4.226 4.441 -0.215 2
1 37 . 1 1 A 11 11 ARG CB C 11 30.611 29.873 0.738 2
1 46 . 1 1 A 11 11 ARG C C 11 174.992 175.371 -0.379 2
1 47 . 1 1 A 12 12 HIS N N 12 119.313 120.118 -0.805 2
1 48 . 1 1 A 12 12 HIS H H 12 7.928 8.207 -0.279 2
1 49 . 1 1 A 12 12 HIS CA C 12 55.443 54.726 0.717 2
1 50 . 1 1 A 12 12 HIS HA H 12 4.611 5.505 -0.894 2
1 51 . 1 1 A 12 12 HIS CB C 12 31.542 30.991 0.551 2
1 58 . 1 1 A 12 12 HIS C C 12 173.859 173.880 -0.021 2
1 59 . 1 1 A 13 13 TYR N N 13 120.629 124.946 -4.317 2
1 60 . 1 1 A 13 13 TYR H H 13 8.698 9.052 -0.354 2
1 61 . 1 1 A 13 13 TYR CA C 13 57.583 57.459 0.124 2
1 62 . 1 1 A 13 13 TYR HA H 13 4.619 4.909 -0.290 2
1 63 . 1 1 A 13 13 TYR CB C 13 39.470 39.731 -0.261 2
1 74 . 1 1 A 13 13 TYR C C 13 174.783 175.390 -0.607 2
1 75 . 1 1 A 14 14 GLU N N 14 123.865 125.230 -1.365 2
1 76 . 1 1 A 14 14 GLU H H 14 8.733 8.886 -0.153 2
1 77 . 1 1 A 14 14 GLU CA C 14 55.094 55.514 -0.420 2
1 78 . 1 1 A 14 14 GLU HA H 14 4.934 5.226 -0.292 2
1 79 . 1 1 A 14 14 GLU CB C 14 32.824 31.343 1.481 2
1 85 . 1 1 A 14 14 GLU C C 14 175.407 175.877 -0.470 2
1 86 . 1 1 A 15 15 CYS N N 15 126.550 124.281 2.269 2
1 87 . 1 1 A 15 15 CYS H H 15 9.243 8.642 0.601 2
1 88 . 1 1 A 15 15 CYS CA C 15 59.494 58.015 1.479 2
1 89 . 1 1 A 15 15 CYS HA H 15 4.591 4.840 -0.249 2
1 90 . 1 1 A 15 15 CYS CB C 15 29.721 29.382 0.339 2
1 93 . 1 1 A 15 15 CYS C C 15 177.448 176.002 1.446 2
1 94 . 1 1 A 16 16 SER CA C 16 60.991 60.722 0.269 2
1 95 . 1 1 A 16 16 SER HA H 16 4.281 4.284 -0.003 2
1 96 . 1 1 A 16 16 SER CB C 16 63.004 62.905 0.099 2
1 99 . 1 1 A 16 16 SER C C 16 174.576 175.967 -1.391 2
1 100 . 1 1 A 17 17 GLU N N 17 122.766 121.275 1.491 2
1 101 . 1 1 A 17 17 GLU H H 17 8.641 7.760 0.881 2
1 102 . 1 1 A 17 17 GLU CA C 17 58.039 58.823 -0.784 2
1 103 . 1 1 A 17 17 GLU HA H 17 4.246 4.048 0.198 2
1 104 . 1 1 A 17 17 GLU CB C 17 29.583 29.859 -0.276 2
1 110 . 1 1 A 17 17 GLU C C 17 177.145 177.730 -0.585 2
1 111 . 1 1 A 18 18 CYS N N 18 114.540 115.851 -1.311 2
1 112 . 1 1 A 18 18 CYS H H 18 7.881 8.085 -0.204 2
1 113 . 1 1 A 18 18 CYS CA C 18 58.403 59.714 -1.311 2
1 114 . 1 1 A 18 18 CYS HA H 18 5.164 4.666 0.498 2
1 115 . 1 1 A 18 18 CYS CB C 18 32.532 29.914 2.618 2
1 118 . 1 1 A 18 18 CYS C C 18 176.314 175.477 0.836 2
1 119 . 1 1 A 19 19 GLY N N 19 113.441 110.207 3.234 2
1 120 . 1 1 A 19 19 GLY H H 19 8.210 8.053 0.157 2
1 121 . 1 1 A 19 19 GLY CA C 19 46.213 45.018 1.195 2
1 122 . 1 1 A 19 19 GLY HA2 H 19 3.866 4.086 -0.220 2
1 123 . 1 1 A 19 19 GLY HA3 H 19 4.209 4.103 0.106 2
1 124 . 1 1 A 19 19 GLY C C 19 173.754 174.515 -0.761 2
1 125 . 1 1 A 20 20 LYS N N 20 122.503 121.788 0.715 2
1 126 . 1 1 A 20 20 LYS H H 20 7.874 7.492 0.382 2
1 127 . 1 1 A 20 20 LYS CA C 20 57.935 55.957 1.978 2
1 128 . 1 1 A 20 20 LYS HA H 20 3.953 4.198 -0.245 2
1 129 . 1 1 A 20 20 LYS CB C 20 33.881 32.811 1.070 2
1 141 . 1 1 A 20 20 LYS C C 20 173.729 175.695 -1.966 2
1 142 . 1 1 A 21 21 ALA N N 21 123.153 128.603 -5.450 2
1 143 . 1 1 A 21 21 ALA H H 21 7.808 8.414 -0.606 2
1 144 . 1 1 A 21 21 ALA CA C 21 50.379 50.741 -0.362 2
1 145 . 1 1 A 21 21 ALA HA H 21 5.019 5.260 -0.241 2
1 146 . 1 1 A 21 21 ALA CB C 21 21.933 20.799 1.134 2
1 150 . 1 1 A 21 21 ALA C C 21 176.429 176.609 -0.180 2
1 151 . 1 1 A 22 22 PHE N N 22 117.263 118.914 -1.651 2
1 152 . 1 1 A 22 22 PHE H H 22 8.627 9.108 -0.481 2
1 153 . 1 1 A 22 22 PHE CA C 22 57.115 56.831 0.284 2
1 154 . 1 1 A 22 22 PHE HA H 22 4.730 4.981 -0.251 2
1 155 . 1 1 A 22 22 PHE CB C 22 43.753 43.167 0.586 2
1 168 . 1 1 A 22 22 PHE C C 22 175.254 175.729 -0.475 2
1 169 . 1 1 A 23 23 ALA CA C 23 53.560 54.191 -0.631 2
1 170 . 1 1 A 23 23 ALA HA H 23 4.507 4.334 0.173 2
1 171 . 1 1 A 23 23 ALA CB C 23 19.794 19.984 -0.190 2
1 175 . 1 1 A 23 23 ALA C C 23 177.450 177.387 0.063 2
1 176 . 1 1 A 24 24 ARG N N 24 113.263 117.314 -4.051 2
1 177 . 1 1 A 24 24 ARG H H 24 7.468 7.890 -0.422 2
1 178 . 1 1 A 24 24 ARG CA C 24 53.899 54.654 -0.755 2
1 179 . 1 1 A 24 24 ARG HA H 24 4.741 4.677 0.064 2
1 180 . 1 1 A 24 24 ARG CB C 24 33.416 32.193 1.223 2
1 189 . 1 1 A 24 24 ARG C C 24 175.564 176.455 -0.891 2
1 190 . 1 1 A 25 25 LYS CA C 25 59.220 59.387 -0.167 2
1 191 . 1 1 A 25 25 LYS HA H 25 3.118 3.271 -0.153 2
1 192 . 1 1 A 25 25 LYS CB C 25 31.720 31.748 -0.028 2
1 204 . 1 1 A 25 25 LYS C C 25 178.185 177.918 0.267 2
1 205 . 1 1 A 26 26 SER N N 26 112.513 115.232 -2.719 2
1 206 . 1 1 A 26 26 SER H H 26 8.477 8.100 0.377 2
1 207 . 1 1 A 26 26 SER CA C 26 61.122 61.682 -0.560 2
1 208 . 1 1 A 26 26 SER HA H 26 3.915 4.064 -0.149 2
1 209 . 1 1 A 26 26 SER CB C 26 61.354 62.658 -1.304 2
1 212 . 1 1 A 26 26 SER C C 26 177.077 176.674 0.403 2
1 213 . 1 1 A 27 27 THR N N 27 117.989 116.951 1.038 2
1 214 . 1 1 A 27 27 THR H H 27 6.929 7.970 -1.041 2
1 215 . 1 1 A 27 27 THR CA C 27 65.178 67.097 -1.919 2
1 216 . 1 1 A 27 27 THR HA H 27 3.875 3.825 0.050 2
1 217 . 1 1 A 27 27 THR CB C 27 67.995 68.410 -0.415 2
1 223 . 1 1 A 27 27 THR C C 27 176.325 175.973 0.352 2
1 224 . 1 1 A 28 28 LEU N N 28 123.865 120.625 3.240 2
1 225 . 1 1 A 28 28 LEU H H 28 7.075 7.538 -0.463 2
1 226 . 1 1 A 28 28 LEU CA C 28 58.313 57.808 0.505 2
1 227 . 1 1 A 28 28 LEU HA H 28 3.255 2.794 0.461 2
1 228 . 1 1 A 28 28 LEU CB C 28 40.195 41.346 -1.151 2
1 241 . 1 1 A 28 28 LEU C C 28 177.531 178.478 -0.947 2
1 242 . 1 1 A 29 29 ILE N N 29 119.337 119.786 -0.449 2
1 243 . 1 1 A 29 29 ILE H H 29 8.208 7.762 0.446 2
1 244 . 1 1 A 29 29 ILE CA C 29 64.671 65.219 -0.548 2
1 245 . 1 1 A 29 29 ILE HA H 29 3.738 3.546 0.192 2
1 246 . 1 1 A 29 29 ILE CB C 29 37.489 37.611 -0.122 2
1 259 . 1 1 A 29 29 ILE C C 29 179.113 177.752 1.361 2
1 260 . 1 1 A 30 30 MET N N 30 117.854 118.053 -0.199 2
1 261 . 1 1 A 30 30 MET H H 30 7.452 7.953 -0.501 2
1 262 . 1 1 A 30 30 MET CA C 30 58.365 58.913 -0.547 2
1 263 . 1 1 A 30 30 MET HA H 30 4.111 4.007 0.104 2
1 264 . 1 1 A 30 30 MET CB C 30 32.273 32.222 0.051 2
1 274 . 1 1 A 30 30 MET C C 30 178.944 178.470 0.474 2
1 275 . 1 1 A 31 31 HIS N N 31 120.334 119.842 0.492 2
1 276 . 1 1 A 31 31 HIS H H 31 7.948 7.775 0.173 2
1 277 . 1 1 A 31 31 HIS CA C 31 59.151 59.483 -0.332 2
1 278 . 1 1 A 31 31 HIS HA H 31 4.157 4.183 -0.026 2
1 279 . 1 1 A 31 31 HIS CB C 31 28.008 29.732 -1.724 2
1 286 . 1 1 A 31 31 HIS C C 31 176.320 177.080 -0.760 2
1 287 . 1 1 A 32 32 GLN N N 32 115.623 117.544 -1.921 2
1 288 . 1 1 A 32 32 GLN H H 32 8.424 8.448 -0.024 2
1 289 . 1 1 A 32 32 GLN CA C 32 59.493 59.202 0.291 2
1 290 . 1 1 A 32 32 GLN HA H 32 3.663 3.946 -0.283 2
1 291 . 1 1 A 32 32 GLN CB C 32 28.305 28.345 -0.040 2
1 300 . 1 1 A 32 32 GLN C C 32 177.429 178.542 -1.113 2
1 301 . 1 1 A 33 33 ARG N N 33 117.693 119.647 -1.954 2
1 302 . 1 1 A 33 33 ARG H H 33 7.178 7.696 -0.518 2
1 303 . 1 1 A 33 33 ARG CA C 33 58.554 58.858 -0.304 2
1 304 . 1 1 A 33 33 ARG HA H 33 4.136 4.040 0.096 2
1 305 . 1 1 A 33 33 ARG CB C 33 30.111 29.867 0.244 2
1 314 . 1 1 A 33 33 ARG C C 33 178.642 178.758 -0.116 2
1 315 . 1 1 A 34 34 ILE N N 34 116.231 117.660 -1.429 2
1 316 . 1 1 A 34 34 ILE H H 34 7.835 7.942 -0.107 2
1 317 . 1 1 A 34 34 ILE CA C 34 63.054 64.158 -1.104 2
1 318 . 1 1 A 34 34 ILE HA H 34 3.974 3.730 0.244 2
1 319 . 1 1 A 34 34 ILE CB C 34 37.687 37.172 0.515 2
1 332 . 1 1 A 34 34 ILE C C 34 177.429 177.563 -0.134 2
1 333 . 1 1 A 35 35 HIS N N 35 117.721 119.901 -2.180 2
1 334 . 1 1 A 35 35 HIS H H 35 7.202 7.547 -0.345 2
1 335 . 1 1 A 35 35 HIS CA C 35 55.257 58.571 -3.314 2
1 336 . 1 1 A 35 35 HIS HA H 35 4.853 4.411 0.442 2
1 337 . 1 1 A 35 35 HIS CB C 35 28.493 30.205 -1.712 2
1 344 . 1 1 A 35 35 HIS C C 35 175.814 176.395 -0.581 2
1 345 . 1 1 A 36 36 THR N N 36 111.765 111.927 -0.162 2
1 346 . 1 1 A 36 36 THR H H 36 7.763 7.587 0.176 2
1 347 . 1 1 A 36 36 THR CA C 36 62.569 62.905 -0.336 2
1 348 . 1 1 A 36 36 THR HA H 36 4.350 4.153 0.197 2
1 349 . 1 1 A 36 36 THR CB C 36 69.804 68.890 0.914 2
1 355 . 1 1 A 36 36 THR C C 36 175.474 174.755 0.719 2
1 356 . 1 1 A 37 37 GLY N N 37 110.608 113.926 -3.318 2
1 357 . 1 1 A 37 37 GLY H H 37 8.218 8.539 -0.321 2
1 358 . 1 1 A 37 37 GLY CA C 37 45.399 45.622 -0.223 2
1 359 . 1 1 A 37 37 GLY HA2 H 37 3.955 4.071 -0.116 2
1 360 . 1 1 A 37 37 GLY HA3 H 37 4.026 4.077 -0.051 2
1 361 . 1 1 A 37 37 GLY C C 37 174.038 173.620 0.418 2
1 362 . 1 1 A 38 38 GLU N N 38 120.485 120.071 0.414 2
1 363 . 1 1 A 38 38 GLU H H 38 8.221 8.150 0.071 2
1 364 . 1 1 A 38 38 GLU CA C 38 56.456 55.581 0.875 2
1 365 . 1 1 A 38 38 GLU HA H 38 4.219 4.626 -0.407 2
1 366 . 1 1 A 38 38 GLU CB C 38 30.482 31.071 -0.589 2
1 371 . 1 1 A 38 38 GLU C C 38 176.231 175.517 0.714 2
1 372 . 1 1 A 39 39 LYS N N 39 123.785 122.838 0.947 2
1 373 . 1 1 A 39 39 LYS H H 39 8.387 8.454 -0.067 2
1 374 . 1 1 A 39 39 LYS CA C 39 54.108 53.954 0.154 2
1 375 . 1 1 A 39 39 LYS HA H 39 4.607 4.699 -0.092 2
1 376 . 1 1 A 39 39 LYS CB C 39 32.499 33.737 -1.238 2
1 388 . 1 1 A 39 39 LYS C C 39 174.519 174.822 -0.303 2
1 389 . 1 1 A 40 40 PRO CA C 40 63.238 63.025 0.213 2
1 390 . 1 1 A 40 40 PRO HA H 40 4.463 4.598 -0.135 2
1 391 . 1 1 A 40 40 PRO CB C 40 32.180 31.881 0.299 2
stop_
save_