data_10188_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10188
_Entry.PDB_ID 2YTI
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 8 8 THR N N 8 112.857 114.731 -1.874 1
1 2 . 1 1 1 A 8 8 THR H H 8 8.147 8.523 -0.376 1
1 3 . 1 1 1 A 8 8 THR CA C 8 61.875 60.816 1.059 1
1 4 . 1 1 1 A 8 8 THR HA H 8 4.345 5.021 -0.676 1
1 5 . 1 1 1 A 8 8 THR CB C 8 70.012 69.992 0.020 1
1 11 . 1 1 1 A 8 8 THR C C 8 175.287 174.048 1.239 1
1 12 . 1 1 1 A 9 9 GLY N N 9 110.887 113.314 -2.427 1
1 13 . 1 1 1 A 9 9 GLY H H 9 8.241 8.408 -0.167 1
1 14 . 1 1 1 A 9 9 GLY CA C 9 45.373 45.382 -0.009 1
1 15 . 1 1 1 A 9 9 GLY HA2 H 9 4.009 4.139 -0.130 1
1 16 . 1 1 1 A 9 9 GLY HA3 H 9 3.917 4.149 -0.232 1
1 17 . 1 1 1 A 9 9 GLY C C 9 174.121 173.860 0.261 1
1 18 . 1 1 1 A 10 10 GLU N N 10 120.584 121.708 -1.124 1
1 19 . 1 1 1 A 10 10 GLU H H 10 8.075 8.198 -0.123 1
1 20 . 1 1 1 A 10 10 GLU CA C 10 56.436 55.230 1.206 1
1 21 . 1 1 1 A 10 10 GLU HA H 10 4.224 4.905 -0.681 1
1 22 . 1 1 1 A 10 10 GLU CB C 10 30.465 31.774 -1.309 1
1 28 . 1 1 1 A 10 10 GLU C C 10 176.282 175.505 0.777 1
1 29 . 1 1 1 A 11 11 LYS N N 11 123.004 125.879 -2.875 1
1 30 . 1 1 1 A 11 11 LYS H H 11 8.295 8.392 -0.097 1
1 31 . 1 1 1 A 11 11 LYS CA C 11 53.874 53.210 0.664 1
1 32 . 1 1 1 A 11 11 LYS HA H 11 4.515 4.884 -0.369 1
1 33 . 1 1 1 A 11 11 LYS CB C 11 32.609 34.630 -2.021 1
1 45 . 1 1 1 A 11 11 LYS C C 11 174.534 176.182 -1.648 1
1 46 . 1 1 1 A 12 12 PRO CA C 12 62.928 64.072 -1.144 1
1 47 . 1 1 1 A 12 12 PRO HA H 12 4.296 4.462 -0.166 1
1 48 . 1 1 1 A 12 12 PRO CB C 12 32.274 31.603 0.671 1
1 57 . 1 1 1 A 12 12 PRO C C 12 176.489 175.885 0.604 1
1 58 . 1 1 1 A 13 13 TYR N N 13 119.870 117.015 2.855 1
1 59 . 1 1 1 A 13 13 TYR H H 13 8.106 8.118 -0.012 1
1 60 . 1 1 1 A 13 13 TYR CA C 13 57.209 56.932 0.277 1
1 61 . 1 1 1 A 13 13 TYR HA H 13 4.588 4.883 -0.295 1
1 62 . 1 1 1 A 13 13 TYR CB C 13 38.107 38.236 -0.129 1
1 73 . 1 1 1 A 13 13 TYR C C 13 174.089 175.195 -1.106 1
1 74 . 1 1 1 A 14 14 LYS N N 14 124.673 121.774 2.899 1
1 75 . 1 1 1 A 14 14 LYS H H 14 8.358 7.314 1.044 1
1 76 . 1 1 1 A 14 14 LYS CA C 14 54.730 55.474 -0.744 1
1 77 . 1 1 1 A 14 14 LYS HA H 14 5.077 5.098 -0.021 1
1 78 . 1 1 1 A 14 14 LYS CB C 14 36.068 33.975 2.093 1
1 90 . 1 1 1 A 14 14 LYS C C 14 175.181 176.711 -1.530 1
1 91 . 1 1 1 A 15 15 CYS N N 15 127.857 125.324 2.533 1
1 92 . 1 1 1 A 15 15 CYS H H 15 9.307 9.082 0.225 1
1 93 . 1 1 1 A 15 15 CYS CA C 15 59.474 59.471 0.003 1
1 94 . 1 1 1 A 15 15 CYS HA H 15 4.524 4.681 -0.157 1
1 95 . 1 1 1 A 15 15 CYS CB C 15 29.634 28.989 0.645 1
1 98 . 1 1 1 A 15 15 CYS C C 15 176.857 174.790 2.067 1
1 99 . 1 1 1 A 16 16 ASN CA C 16 55.608 54.229 1.379 1
1 100 . 1 1 1 A 16 16 ASN HA H 16 4.497 4.882 -0.385 1
1 101 . 1 1 1 A 16 16 ASN CB C 16 38.265 39.644 -1.379 1
1 107 . 1 1 1 A 16 16 ASN C C 16 175.434 177.229 -1.795 1
1 108 . 1 1 1 A 17 17 GLU N N 17 120.770 119.693 1.077 1
1 109 . 1 1 1 A 17 17 GLU H H 17 8.702 7.678 1.024 1
1 110 . 1 1 1 A 17 17 GLU CA C 17 58.818 58.846 -0.028 1
1 111 . 1 1 1 A 17 17 GLU HA H 17 4.184 3.922 0.262 1
1 112 . 1 1 1 A 17 17 GLU CB C 17 29.358 28.535 0.823 1
1 118 . 1 1 1 A 17 17 GLU C C 17 177.178 178.038 -0.860 1
1 119 . 1 1 1 A 18 18 CYS N N 18 127.684 114.970 12.714 1
1 120 . 1 1 1 A 18 18 CYS H H 18 7.913 7.374 0.539 1
1 121 . 1 1 1 A 18 18 CYS CA C 18 58.271 59.632 -1.361 1
1 122 . 1 1 1 A 18 18 CYS HA H 18 5.140 4.593 0.547 1
1 123 . 1 1 1 A 18 18 CYS CB C 18 32.384 29.680 2.704 1
1 126 . 1 1 1 A 18 18 CYS C C 18 176.250 175.316 0.934 1
1 127 . 1 1 1 A 19 19 GLY N N 19 113.588 110.352 3.236 1
1 128 . 1 1 1 A 19 19 GLY H H 19 8.163 8.103 0.060 1
1 129 . 1 1 1 A 19 19 GLY CA C 19 46.206 45.204 1.002 1
1 130 . 1 1 1 A 19 19 GLY HA2 H 19 4.213 4.063 0.150 1
1 131 . 1 1 1 A 19 19 GLY HA3 H 19 3.710 4.078 -0.368 1
1 132 . 1 1 1 A 19 19 GLY C C 19 173.538 174.485 -0.947 1
1 133 . 1 1 1 A 20 20 LYS N N 20 122.672 121.923 0.749 1
1 134 . 1 1 1 A 20 20 LYS H H 20 7.898 7.947 -0.049 1
1 135 . 1 1 1 A 20 20 LYS CA C 20 58.243 55.749 2.494 1
1 136 . 1 1 1 A 20 20 LYS HA H 20 3.956 4.362 -0.406 1
1 137 . 1 1 1 A 20 20 LYS CB C 20 33.796 33.570 0.226 1
1 149 . 1 1 1 A 20 20 LYS C C 20 174.305 175.369 -1.064 1
1 150 . 1 1 1 A 21 21 VAL N N 21 117.669 124.443 -6.774 1
1 151 . 1 1 1 A 21 21 VAL H H 21 7.616 7.929 -0.313 1
1 152 . 1 1 1 A 21 21 VAL CA C 21 60.531 60.644 -0.113 1
1 153 . 1 1 1 A 21 21 VAL HA H 21 4.729 4.940 -0.211 1
1 154 . 1 1 1 A 21 21 VAL CB C 21 33.937 35.194 -1.257 1
1 164 . 1 1 1 A 21 21 VAL C C 21 175.221 174.417 0.804 1
1 165 . 1 1 1 A 22 22 PHE N N 22 121.686 124.352 -2.666 1
1 166 . 1 1 1 A 22 22 PHE H H 22 8.732 8.878 -0.146 1
1 167 . 1 1 1 A 22 22 PHE CA C 22 56.827 56.459 0.368 1
1 168 . 1 1 1 A 22 22 PHE HA H 22 4.874 5.050 -0.176 1
1 169 . 1 1 1 A 22 22 PHE CB C 22 43.461 43.970 -0.509 1
1 182 . 1 1 1 A 22 22 PHE C C 22 175.698 175.368 0.330 1
1 183 . 1 1 1 A 23 23 THR N N 23 111.308 114.576 -3.268 1
1 184 . 1 1 1 A 23 23 THR H H 23 9.483 8.668 0.815 1
1 185 . 1 1 1 A 23 23 THR CA C 23 63.243 63.263 -0.020 1
1 186 . 1 1 1 A 23 23 THR HA H 23 4.536 4.326 0.210 1
1 187 . 1 1 1 A 23 23 THR CB C 23 69.668 70.519 -0.851 1
1 193 . 1 1 1 A 23 23 THR C C 23 174.904 174.335 0.569 1
1 194 . 1 1 1 A 24 24 GLN N N 24 128.363 119.603 8.760 1
1 195 . 1 1 1 A 24 24 GLN H H 24 7.069 7.884 -0.815 1
1 196 . 1 1 1 A 24 24 GLN CA C 24 54.007 53.870 0.137 1
1 197 . 1 1 1 A 24 24 GLN HA H 24 4.503 4.164 0.339 1
1 198 . 1 1 1 A 24 24 GLN CB C 24 31.943 30.727 1.216 1
1 207 . 1 1 1 A 24 24 GLN C C 24 175.897 175.771 0.126 1
1 208 . 1 1 1 A 25 25 ASN CA C 25 56.162 57.276 -1.114 1
1 209 . 1 1 1 A 25 25 ASN HA H 25 3.578 4.515 -0.937 1
1 210 . 1 1 1 A 25 25 ASN CB C 25 38.265 38.997 -0.732 1
1 216 . 1 1 1 A 26 26 SER CA C 26 60.828 61.524 -0.696 1
1 217 . 1 1 1 A 26 26 SER HA H 26 4.010 4.150 -0.140 1
1 218 . 1 1 1 A 26 26 SER CB C 26 61.674 62.438 -0.764 1
1 221 . 1 1 1 A 26 26 SER C C 26 177.106 177.023 0.083 1
1 222 . 1 1 1 A 27 27 HIS N N 27 121.567 118.630 2.937 1
1 223 . 1 1 1 A 27 27 HIS H H 27 6.745 7.811 -1.066 1
1 224 . 1 1 1 A 27 27 HIS CA C 27 57.025 58.868 -1.843 1
1 225 . 1 1 1 A 27 27 HIS HA H 27 4.387 4.229 0.158 1
1 226 . 1 1 1 A 27 27 HIS CB C 27 31.749 29.405 2.344 1
1 233 . 1 1 1 A 27 27 HIS C C 27 178.165 177.302 0.863 1
1 234 . 1 1 1 A 28 28 LEU N N 28 122.201 120.623 1.578 1
1 235 . 1 1 1 A 28 28 LEU H H 28 6.890 8.121 -1.231 1
1 236 . 1 1 1 A 28 28 LEU CA C 28 57.568 57.477 0.091 1
1 237 . 1 1 1 A 28 28 LEU HA H 28 3.133 2.891 0.242 1
1 238 . 1 1 1 A 28 28 LEU CB C 28 40.421 41.997 -1.576 1
1 251 . 1 1 1 A 28 28 LEU C C 28 177.398 177.873 -0.475 1
1 252 . 1 1 1 A 29 29 ALA N N 29 120.974 120.287 0.687 1
1 253 . 1 1 1 A 29 29 ALA H H 29 8.291 8.649 -0.358 1
1 254 . 1 1 1 A 29 29 ALA CA C 29 55.296 55.429 -0.133 1
1 255 . 1 1 1 A 29 29 ALA HA H 29 3.906 4.019 -0.113 1
1 256 . 1 1 1 A 29 29 ALA CB C 29 17.744 18.475 -0.731 1
1 260 . 1 1 1 A 29 29 ALA C C 29 180.489 179.633 0.856 1
1 261 . 1 1 1 A 30 30 ARG N N 30 116.427 117.079 -0.652 1
1 262 . 1 1 1 A 30 30 ARG H H 30 7.431 8.251 -0.820 1
1 263 . 1 1 1 A 30 30 ARG CA C 30 58.472 58.654 -0.182 1
1 264 . 1 1 1 A 30 30 ARG HA H 30 4.022 4.065 -0.043 1
1 265 . 1 1 1 A 30 30 ARG CB C 30 30.232 30.179 0.053 1
1 274 . 1 1 1 A 30 30 ARG C C 30 178.403 178.308 0.095 1
1 275 . 1 1 1 A 31 31 HIS N N 31 119.659 120.362 -0.703 1
1 276 . 1 1 1 A 31 31 HIS H H 31 7.576 7.859 -0.283 1
1 277 . 1 1 1 A 31 31 HIS CA C 31 58.796 59.859 -1.063 1
1 278 . 1 1 1 A 31 31 HIS HA H 31 4.203 4.181 0.022 1
1 279 . 1 1 1 A 31 31 HIS CB C 31 28.745 29.460 -0.715 1
1 286 . 1 1 1 A 31 31 HIS C C 31 175.860 176.956 -1.096 1
1 287 . 1 1 1 A 32 32 ARG N N 32 128.186 117.827 10.359 1
1 288 . 1 1 1 A 32 32 ARG H H 32 8.021 8.245 -0.224 1
1 289 . 1 1 1 A 32 32 ARG CA C 32 59.996 58.935 1.061 1
1 290 . 1 1 1 A 32 32 ARG HA H 32 3.735 3.944 -0.209 1
1 291 . 1 1 1 A 32 32 ARG CB C 32 30.005 29.889 0.116 1
1 300 . 1 1 1 A 32 32 ARG C C 32 178.010 179.746 -1.736 1
1 301 . 1 1 1 A 33 33 GLY N N 33 118.610 108.383 10.227 1
1 302 . 1 1 1 A 33 33 GLY H H 33 7.577 8.038 -0.461 1
1 303 . 1 1 1 A 33 33 GLY CA C 33 46.501 47.270 -0.769 1
1 304 . 1 1 1 A 33 33 GLY HA2 H 33 3.856 3.630 0.226 1
1 305 . 1 1 1 A 33 33 GLY HA3 H 33 3.976 3.650 0.326 1
1 306 . 1 1 1 A 33 33 GLY C C 33 175.874 176.102 -0.228 1
1 307 . 1 1 1 A 34 34 ILE N N 34 118.491 119.908 -1.417 1
1 308 . 1 1 1 A 34 34 ILE H H 34 7.804 7.935 -0.131 1
1 309 . 1 1 1 A 34 34 ILE CA C 34 62.728 64.504 -1.776 1
1 310 . 1 1 1 A 34 34 ILE HA H 34 4.012 3.715 0.297 1
1 311 . 1 1 1 A 34 34 ILE CB C 34 37.640 37.273 0.367 1
1 324 . 1 1 1 A 34 34 ILE C C 34 177.422 177.480 -0.058 1
1 325 . 1 1 1 A 35 35 HIS N N 35 117.828 119.575 -1.747 1
1 326 . 1 1 1 A 35 35 HIS H H 35 7.323 7.263 0.060 1
1 327 . 1 1 1 A 35 35 HIS CA C 35 55.311 58.961 -3.650 1
1 328 . 1 1 1 A 35 35 HIS HA H 35 4.861 4.387 0.474 1
1 329 . 1 1 1 A 35 35 HIS CB C 35 28.630 31.185 -2.555 1
1 336 . 1 1 1 A 35 35 HIS C C 35 175.768 175.552 0.216 1
1 337 . 1 1 1 A 36 36 THR N N 36 112.063 109.060 3.003 1
1 338 . 1 1 1 A 36 36 THR H H 36 7.784 7.653 0.131 1
1 339 . 1 1 1 A 36 36 THR CA C 36 62.436 61.226 1.210 1
1 340 . 1 1 1 A 36 36 THR HA H 36 4.330 4.375 -0.045 1
1 341 . 1 1 1 A 36 36 THR CB C 36 69.703 68.984 0.719 1
1 347 . 1 1 1 A 36 36 THR C C 36 175.321 173.979 1.342 1
1 348 . 1 1 1 A 37 37 GLY N N 37 111.105 111.140 -0.035 1
1 349 . 1 1 1 A 37 37 GLY H H 37 8.435 8.410 0.025 1
1 350 . 1 1 1 A 37 37 GLY CA C 37 45.313 46.084 -0.771 1
1 351 . 1 1 1 A 37 37 GLY HA2 H 37 3.969 4.111 -0.142 1
1 352 . 1 1 1 A 37 37 GLY HA3 H 37 3.969 4.114 -0.145 1
1 353 . 1 1 1 A 37 37 GLY C C 37 174.049 173.362 0.687 1
1 354 . 1 1 1 A 38 38 GLU N N 38 120.555 120.162 0.393 1
1 355 . 1 1 1 A 38 38 GLU H H 38 8.211 7.860 0.351 1
1 356 . 1 1 1 A 38 38 GLU CA C 38 56.448 56.629 -0.181 1
1 357 . 1 1 1 A 38 38 GLU HA H 38 4.222 4.296 -0.074 1
1 358 . 1 1 1 A 38 38 GLU CB C 38 36.225 29.948 6.277 1
1 364 . 1 1 1 A 38 38 GLU C C 38 176.258 176.529 -0.271 1
1 365 . 1 1 1 A 39 39 LYS N N 39 123.818 120.028 3.790 1
1 366 . 1 1 1 A 39 39 LYS H H 39 8.392 8.835 -0.443 1
1 367 . 1 1 1 A 39 39 LYS CA C 39 54.059 53.486 0.573 1
1 368 . 1 1 1 A 39 39 LYS HA H 39 4.580 4.926 -0.346 1
1 369 . 1 1 1 A 39 39 LYS CB C 39 32.451 34.409 -1.958 1
1 381 . 1 1 1 A 39 39 LYS C C 39 174.049 174.516 -0.467 1
1 382 . 1 1 1 A 40 40 PRO CA C 40 63.172 62.749 0.423 1
1 383 . 1 1 1 A 40 40 PRO HA H 40 4.444 4.583 -0.139 1
1 384 . 1 1 1 A 40 40 PRO CB C 40 32.143 31.683 0.460 1
1 393 . 1 1 1 A 40 40 PRO C C 40 177.021 177.243 -0.222 1
1 394 . 1 1 1 A 41 41 SER N N 41 116.548 115.321 1.227 1
1 395 . 1 1 1 A 41 41 SER H H 41 8.473 8.520 -0.047 1
1 396 . 1 1 1 A 41 41 SER CA C 41 58.308 59.119 -0.811 1
1 397 . 1 1 1 A 41 41 SER HA H 41 4.455 4.338 0.117 1
1 398 . 1 1 1 A 41 41 SER CB C 41 63.988 63.421 0.567 1
1 401 . 1 1 1 A 41 41 SER C C 41 177.006 174.575 2.431 1
1 402 . 1 1 1 A 42 42 GLY CA C 42 44.654 44.996 -0.342 1
1 403 . 1 1 1 A 42 42 GLY HA2 H 42 4.086 4.109 -0.023 1
1 404 . 1 1 1 A 42 42 GLY HA3 H 42 4.125 4.109 0.016 1
1 405 . 1 1 1 A 43 43 PRO CA C 43 63.217 63.711 -0.494 1
1 406 . 1 1 1 A 43 43 PRO HA H 43 4.445 4.484 -0.039 1
1 407 . 1 1 1 A 43 43 PRO CB C 43 32.196 32.227 -0.031 1
1 416 . 1 1 1 A 45 45 SER CA C 45 58.418 59.491 -1.073 1
1 417 . 1 1 1 A 45 45 SER HA H 45 4.478 4.580 -0.102 1
1 418 . 1 1 1 A 45 45 SER CB C 45 63.838 64.603 -0.765 1
1 420 . 1 1 1 A 45 45 SER C C 45 173.908 175.707 -1.799 1
1 1 . 2 1 1 A 8 8 THR N N 8 112.857 113.936 -1.079 1
1 2 . 2 1 1 A 8 8 THR H H 8 8.147 8.099 0.048 1
1 3 . 2 1 1 A 8 8 THR CA C 8 61.875 59.477 2.398 1
1 4 . 2 1 1 A 8 8 THR HA H 8 4.345 5.117 -0.772 1
1 5 . 2 1 1 A 8 8 THR CB C 8 70.012 72.404 -2.392 1
1 11 . 2 1 1 A 8 8 THR C C 8 175.287 173.413 1.874 1
1 12 . 2 1 1 A 9 9 GLY N N 9 110.887 109.786 1.101 1
1 13 . 2 1 1 A 9 9 GLY H H 9 8.241 8.917 -0.676 1
1 14 . 2 1 1 A 9 9 GLY CA C 9 45.373 44.114 1.259 1
1 15 . 2 1 1 A 9 9 GLY HA2 H 9 4.009 4.259 -0.250 1
1 16 . 2 1 1 A 9 9 GLY HA3 H 9 3.917 4.259 -0.342 1
1 17 . 2 1 1 A 9 9 GLY C C 9 174.121 171.847 2.274 1
1 18 . 2 1 1 A 10 10 GLU N N 10 120.584 122.013 -1.429 1
1 19 . 2 1 1 A 10 10 GLU H H 10 8.075 8.617 -0.542 1
1 20 . 2 1 1 A 10 10 GLU CA C 10 56.436 54.754 1.682 1
1 21 . 2 1 1 A 10 10 GLU HA H 10 4.224 4.968 -0.744 1
1 22 . 2 1 1 A 10 10 GLU CB C 10 30.465 32.241 -1.776 1
1 28 . 2 1 1 A 10 10 GLU C C 10 176.282 175.102 1.180 1
1 29 . 2 1 1 A 11 11 LYS N N 11 123.004 127.208 -4.204 1
1 30 . 2 1 1 A 11 11 LYS H H 11 8.295 8.850 -0.555 1
1 31 . 2 1 1 A 11 11 LYS CA C 11 53.874 53.851 0.023 1
1 32 . 2 1 1 A 11 11 LYS HA H 11 4.515 4.604 -0.089 1
1 33 . 2 1 1 A 11 11 LYS CB C 11 32.609 31.811 0.798 1
1 45 . 2 1 1 A 11 11 LYS C C 11 174.534 176.370 -1.836 1
1 46 . 2 1 1 A 12 12 PRO CA C 12 62.928 64.128 -1.200 1
1 47 . 2 1 1 A 12 12 PRO HA H 12 4.296 4.380 -0.084 1
1 48 . 2 1 1 A 12 12 PRO CB C 12 32.274 31.484 0.790 1
1 57 . 2 1 1 A 12 12 PRO C C 12 176.489 175.787 0.702 1
1 58 . 2 1 1 A 13 13 TYR N N 13 119.870 115.716 4.154 1
1 59 . 2 1 1 A 13 13 TYR H H 13 8.106 7.958 0.148 1
1 60 . 2 1 1 A 13 13 TYR CA C 13 57.209 57.204 0.005 1
1 61 . 2 1 1 A 13 13 TYR HA H 13 4.588 4.962 -0.374 1
1 62 . 2 1 1 A 13 13 TYR CB C 13 38.107 39.068 -0.961 1
1 73 . 2 1 1 A 13 13 TYR C C 13 174.089 175.213 -1.124 1
1 74 . 2 1 1 A 14 14 LYS N N 14 124.673 121.876 2.797 1
1 75 . 2 1 1 A 14 14 LYS H H 14 8.358 7.453 0.905 1
1 76 . 2 1 1 A 14 14 LYS CA C 14 54.730 55.572 -0.842 1
1 77 . 2 1 1 A 14 14 LYS HA H 14 5.077 5.050 0.027 1
1 78 . 2 1 1 A 14 14 LYS CB C 14 36.068 33.891 2.177 1
1 90 . 2 1 1 A 14 14 LYS C C 14 175.181 176.715 -1.534 1
1 91 . 2 1 1 A 15 15 CYS N N 15 127.857 125.338 2.519 1
1 92 . 2 1 1 A 15 15 CYS H H 15 9.307 9.111 0.196 1
1 93 . 2 1 1 A 15 15 CYS CA C 15 59.474 59.486 -0.012 1
1 94 . 2 1 1 A 15 15 CYS HA H 15 4.524 4.682 -0.158 1
1 95 . 2 1 1 A 15 15 CYS CB C 15 29.634 28.996 0.638 1
1 98 . 2 1 1 A 15 15 CYS C C 15 176.857 176.040 0.817 1
1 99 . 2 1 1 A 16 16 ASN CA C 16 55.608 53.526 2.082 1
1 100 . 2 1 1 A 16 16 ASN HA H 16 4.497 4.736 -0.239 1
1 101 . 2 1 1 A 16 16 ASN CB C 16 38.265 39.766 -1.501 1
1 107 . 2 1 1 A 16 16 ASN C C 16 175.434 177.149 -1.715 1
1 108 . 2 1 1 A 17 17 GLU N N 17 120.770 120.078 0.692 1
1 109 . 2 1 1 A 17 17 GLU H H 17 8.702 7.759 0.943 1
1 110 . 2 1 1 A 17 17 GLU CA C 17 58.818 59.037 -0.219 1
1 111 . 2 1 1 A 17 17 GLU HA H 17 4.184 3.915 0.269 1
1 112 . 2 1 1 A 17 17 GLU CB C 17 29.358 28.338 1.020 1
1 118 . 2 1 1 A 17 17 GLU C C 17 177.178 178.198 -1.020 1
1 119 . 2 1 1 A 18 18 CYS N N 18 127.684 114.978 12.706 1
1 120 . 2 1 1 A 18 18 CYS H H 18 7.913 7.400 0.513 1
1 121 . 2 1 1 A 18 18 CYS CA C 18 58.271 59.746 -1.475 1
1 122 . 2 1 1 A 18 18 CYS HA H 18 5.140 4.586 0.554 1
1 123 . 2 1 1 A 18 18 CYS CB C 18 32.384 29.616 2.768 1
1 126 . 2 1 1 A 18 18 CYS C C 18 176.250 175.318 0.932 1
1 127 . 2 1 1 A 19 19 GLY N N 19 113.588 110.353 3.235 1
1 128 . 2 1 1 A 19 19 GLY H H 19 8.163 8.106 0.057 1
1 129 . 2 1 1 A 19 19 GLY CA C 19 46.206 45.206 1.000 1
1 130 . 2 1 1 A 19 19 GLY HA2 H 19 4.213 4.068 0.145 1
1 131 . 2 1 1 A 19 19 GLY HA3 H 19 3.710 4.083 -0.373 1
1 132 . 2 1 1 A 19 19 GLY C C 19 173.538 174.483 -0.945 1
1 133 . 2 1 1 A 20 20 LYS N N 20 122.672 121.927 0.745 1
1 134 . 2 1 1 A 20 20 LYS H H 20 7.898 7.931 -0.033 1
1 135 . 2 1 1 A 20 20 LYS CA C 20 58.243 55.720 2.523 1
1 136 . 2 1 1 A 20 20 LYS HA H 20 3.956 4.370 -0.414 1
1 137 . 2 1 1 A 20 20 LYS CB C 20 33.796 33.696 0.100 1
1 149 . 2 1 1 A 20 20 LYS C C 20 174.305 175.399 -1.094 1
1 150 . 2 1 1 A 21 21 VAL N N 21 117.669 123.303 -5.634 1
1 151 . 2 1 1 A 21 21 VAL H H 21 7.616 7.921 -0.305 1
1 152 . 2 1 1 A 21 21 VAL CA C 21 60.531 60.188 0.343 1
1 153 . 2 1 1 A 21 21 VAL HA H 21 4.729 4.947 -0.218 1
1 154 . 2 1 1 A 21 21 VAL CB C 21 33.937 35.315 -1.378 1
1 164 . 2 1 1 A 21 21 VAL C C 21 175.221 174.041 1.180 1
1 165 . 2 1 1 A 22 22 PHE N N 22 121.686 123.182 -1.496 1
1 166 . 2 1 1 A 22 22 PHE H H 22 8.732 8.802 -0.070 1
1 167 . 2 1 1 A 22 22 PHE CA C 22 56.827 56.549 0.278 1
1 168 . 2 1 1 A 22 22 PHE HA H 22 4.874 4.947 -0.073 1
1 169 . 2 1 1 A 22 22 PHE CB C 22 43.461 43.823 -0.362 1
1 182 . 2 1 1 A 22 22 PHE C C 22 175.698 175.342 0.356 1
1 183 . 2 1 1 A 23 23 THR N N 23 111.308 116.389 -5.081 1
1 184 . 2 1 1 A 23 23 THR H H 23 9.483 8.855 0.628 1
1 185 . 2 1 1 A 23 23 THR CA C 23 63.243 63.367 -0.124 1
1 186 . 2 1 1 A 23 23 THR HA H 23 4.536 4.340 0.196 1
1 187 . 2 1 1 A 23 23 THR CB C 23 69.668 70.466 -0.798 1
1 193 . 2 1 1 A 23 23 THR C C 23 174.904 173.392 1.512 1
1 194 . 2 1 1 A 24 24 GLN N N 24 128.363 119.728 8.635 1
1 195 . 2 1 1 A 24 24 GLN H H 24 7.069 7.777 -0.708 1
1 196 . 2 1 1 A 24 24 GLN CA C 24 54.007 53.349 0.658 1
1 197 . 2 1 1 A 24 24 GLN HA H 24 4.503 4.157 0.346 1
1 198 . 2 1 1 A 24 24 GLN CB C 24 31.943 30.924 1.019 1
1 207 . 2 1 1 A 24 24 GLN C C 24 175.897 176.243 -0.346 1
1 208 . 2 1 1 A 25 25 ASN CA C 25 56.162 56.234 -0.072 1
1 209 . 2 1 1 A 25 25 ASN HA H 25 3.578 4.607 -1.029 1
1 210 . 2 1 1 A 25 25 ASN CB C 25 38.265 37.803 0.462 1
1 216 . 2 1 1 A 26 26 SER CA C 26 60.828 62.242 -1.414 1
1 217 . 2 1 1 A 26 26 SER HA H 26 4.010 4.070 -0.060 1
1 218 . 2 1 1 A 26 26 SER CB C 26 61.674 62.613 -0.939 1
1 221 . 2 1 1 A 26 26 SER C C 26 177.106 176.630 0.476 1
1 222 . 2 1 1 A 27 27 HIS N N 27 121.567 119.370 2.197 1
1 223 . 2 1 1 A 27 27 HIS H H 27 6.745 8.115 -1.370 1
1 224 . 2 1 1 A 27 27 HIS CA C 27 57.025 58.655 -1.630 1
1 225 . 2 1 1 A 27 27 HIS HA H 27 4.387 4.214 0.173 1
1 226 . 2 1 1 A 27 27 HIS CB C 27 31.749 29.723 2.026 1
1 233 . 2 1 1 A 27 27 HIS C C 27 178.165 177.184 0.981 1
1 234 . 2 1 1 A 28 28 LEU N N 28 122.201 120.641 1.560 1
1 235 . 2 1 1 A 28 28 LEU H H 28 6.890 7.774 -0.884 1
1 236 . 2 1 1 A 28 28 LEU CA C 28 57.568 57.581 -0.013 1
1 237 . 2 1 1 A 28 28 LEU HA H 28 3.133 2.951 0.182 1
1 238 . 2 1 1 A 28 28 LEU CB C 28 40.421 42.010 -1.589 1
1 251 . 2 1 1 A 28 28 LEU C C 28 177.398 178.059 -0.661 1
1 252 . 2 1 1 A 29 29 ALA N N 29 120.974 120.377 0.597 1
1 253 . 2 1 1 A 29 29 ALA H H 29 8.291 8.633 -0.342 1
1 254 . 2 1 1 A 29 29 ALA CA C 29 55.296 55.550 -0.254 1
1 255 . 2 1 1 A 29 29 ALA HA H 29 3.906 3.967 -0.061 1
1 256 . 2 1 1 A 29 29 ALA CB C 29 17.744 18.386 -0.642 1
1 260 . 2 1 1 A 29 29 ALA C C 29 180.489 179.622 0.867 1
1 261 . 2 1 1 A 30 30 ARG N N 30 116.427 116.800 -0.373 1
1 262 . 2 1 1 A 30 30 ARG H H 30 7.431 8.296 -0.865 1
1 263 . 2 1 1 A 30 30 ARG CA C 30 58.472 59.104 -0.632 1
1 264 . 2 1 1 A 30 30 ARG HA H 30 4.022 4.066 -0.044 1
1 265 . 2 1 1 A 30 30 ARG CB C 30 30.232 29.807 0.425 1
1 274 . 2 1 1 A 30 30 ARG C C 30 178.403 178.452 -0.049 1
1 275 . 2 1 1 A 31 31 HIS N N 31 119.659 120.123 -0.464 1
1 276 . 2 1 1 A 31 31 HIS H H 31 7.576 8.135 -0.559 1
1 277 . 2 1 1 A 31 31 HIS CA C 31 58.796 59.859 -1.063 1
1 278 . 2 1 1 A 31 31 HIS HA H 31 4.203 4.234 -0.031 1
1 279 . 2 1 1 A 31 31 HIS CB C 31 28.745 29.401 -0.656 1
1 286 . 2 1 1 A 31 31 HIS C C 31 175.860 177.001 -1.141 1
1 287 . 2 1 1 A 32 32 ARG N N 32 128.186 117.792 10.394 1
1 288 . 2 1 1 A 32 32 ARG H H 32 8.021 8.121 -0.100 1
1 289 . 2 1 1 A 32 32 ARG CA C 32 59.996 58.961 1.035 1
1 290 . 2 1 1 A 32 32 ARG HA H 32 3.735 3.914 -0.179 1
1 291 . 2 1 1 A 32 32 ARG CB C 32 30.005 29.851 0.154 1
1 300 . 2 1 1 A 32 32 ARG C C 32 178.010 179.733 -1.723 1
1 301 . 2 1 1 A 33 33 GLY N N 33 118.610 108.434 10.176 1
1 302 . 2 1 1 A 33 33 GLY H H 33 7.577 8.172 -0.595 1
1 303 . 2 1 1 A 33 33 GLY CA C 33 46.501 47.302 -0.801 1
1 304 . 2 1 1 A 33 33 GLY HA2 H 33 3.856 3.630 0.226 1
1 305 . 2 1 1 A 33 33 GLY HA3 H 33 3.976 3.648 0.328 1
1 306 . 2 1 1 A 33 33 GLY C C 33 175.874 176.019 -0.145 1
1 307 . 2 1 1 A 34 34 ILE N N 34 118.491 119.893 -1.402 1
1 308 . 2 1 1 A 34 34 ILE H H 34 7.804 7.898 -0.094 1
1 309 . 2 1 1 A 34 34 ILE CA C 34 62.728 64.336 -1.608 1
1 310 . 2 1 1 A 34 34 ILE HA H 34 4.012 3.730 0.282 1
1 311 . 2 1 1 A 34 34 ILE CB C 34 37.640 37.250 0.390 1
1 324 . 2 1 1 A 34 34 ILE C C 34 177.422 177.513 -0.091 1
1 325 . 2 1 1 A 35 35 HIS N N 35 117.828 119.571 -1.743 1
1 326 . 2 1 1 A 35 35 HIS H H 35 7.323 7.198 0.125 1
1 327 . 2 1 1 A 35 35 HIS CA C 35 55.311 58.500 -3.189 1
1 328 . 2 1 1 A 35 35 HIS HA H 35 4.861 4.445 0.416 1
1 329 . 2 1 1 A 35 35 HIS CB C 35 28.630 31.193 -2.563 1
1 336 . 2 1 1 A 35 35 HIS C C 35 175.768 175.607 0.161 1
1 337 . 2 1 1 A 36 36 THR N N 36 112.063 109.328 2.735 1
1 338 . 2 1 1 A 36 36 THR H H 36 7.784 7.756 0.028 1
1 339 . 2 1 1 A 36 36 THR CA C 36 62.436 61.063 1.373 1
1 340 . 2 1 1 A 36 36 THR HA H 36 4.330 4.342 -0.012 1
1 341 . 2 1 1 A 36 36 THR CB C 36 69.703 68.410 1.293 1
1 347 . 2 1 1 A 36 36 THR C C 36 175.321 174.862 0.459 1
1 348 . 2 1 1 A 37 37 GLY N N 37 111.105 111.012 0.093 1
1 349 . 2 1 1 A 37 37 GLY H H 37 8.435 8.510 -0.075 1
1 350 . 2 1 1 A 37 37 GLY CA C 37 45.313 46.024 -0.711 1
1 351 . 2 1 1 A 37 37 GLY HA2 H 37 3.969 4.100 -0.131 1
1 352 . 2 1 1 A 37 37 GLY HA3 H 37 3.969 4.103 -0.134 1
1 353 . 2 1 1 A 37 37 GLY C C 37 174.049 173.543 0.506 1
1 354 . 2 1 1 A 38 38 GLU N N 38 120.555 118.472 2.083 1
1 355 . 2 1 1 A 38 38 GLU H H 38 8.211 8.024 0.187 1
1 356 . 2 1 1 A 38 38 GLU CA C 38 56.448 54.703 1.745 1
1 357 . 2 1 1 A 38 38 GLU HA H 38 4.222 4.841 -0.619 1
1 358 . 2 1 1 A 38 38 GLU CB C 38 36.225 32.804 3.421 1
1 364 . 2 1 1 A 38 38 GLU C C 38 176.258 175.442 0.816 1
1 365 . 2 1 1 A 39 39 LYS N N 39 123.818 118.928 4.890 1
1 366 . 2 1 1 A 39 39 LYS H H 39 8.392 8.905 -0.513 1
1 367 . 2 1 1 A 39 39 LYS CA C 39 54.059 53.164 0.895 1
1 368 . 2 1 1 A 39 39 LYS HA H 39 4.580 5.029 -0.449 1
1 369 . 2 1 1 A 39 39 LYS CB C 39 32.451 35.463 -3.012 1
1 381 . 2 1 1 A 39 39 LYS C C 39 174.049 174.501 -0.452 1
1 382 . 2 1 1 A 40 40 PRO CA C 40 63.172 62.544 0.628 1
1 383 . 2 1 1 A 40 40 PRO HA H 40 4.444 4.537 -0.093 1
1 384 . 2 1 1 A 40 40 PRO CB C 40 32.143 32.531 -0.388 1
1 393 . 2 1 1 A 40 40 PRO C C 40 177.021 176.882 0.139 1
1 394 . 2 1 1 A 41 41 SER N N 41 116.548 114.830 1.718 1
1 395 . 2 1 1 A 41 41 SER H H 41 8.473 8.559 -0.086 1
1 396 . 2 1 1 A 41 41 SER CA C 41 58.308 57.935 0.373 1
1 397 . 2 1 1 A 41 41 SER HA H 41 4.455 4.496 -0.041 1
1 398 . 2 1 1 A 41 41 SER CB C 41 63.988 62.951 1.037 1
1 401 . 2 1 1 A 41 41 SER C C 41 177.006 174.841 2.165 1
1 402 . 2 1 1 A 42 42 GLY CA C 42 44.654 44.445 0.209 1
1 403 . 2 1 1 A 42 42 GLY HA2 H 42 4.086 4.144 -0.058 1
1 404 . 2 1 1 A 42 42 GLY HA3 H 42 4.125 4.144 -0.019 1
1 405 . 2 1 1 A 43 43 PRO CA C 43 63.217 62.833 0.384 1
1 406 . 2 1 1 A 43 43 PRO HA H 43 4.445 4.452 -0.007 1
1 407 . 2 1 1 A 43 43 PRO CB C 43 32.196 32.265 -0.069 1
1 416 . 2 1 1 A 45 45 SER CA C 45 58.418 61.861 -3.443 1
1 417 . 2 1 1 A 45 45 SER HA H 45 4.478 4.128 0.350 1
1 418 . 2 1 1 A 45 45 SER CB C 45 63.838 62.943 0.895 1
1 420 . 2 1 1 A 45 45 SER C C 45 173.908 177.476 -3.568 1
1 1 . 3 1 1 A 8 8 THR N N 8 112.857 115.860 -3.003 1
1 2 . 3 1 1 A 8 8 THR H H 8 8.147 8.189 -0.042 1
1 3 . 3 1 1 A 8 8 THR CA C 8 61.875 64.328 -2.453 1
1 4 . 3 1 1 A 8 8 THR HA H 8 4.345 4.265 0.080 1
1 5 . 3 1 1 A 8 8 THR CB C 8 70.012 69.534 0.478 1
1 11 . 3 1 1 A 8 8 THR C C 8 175.287 174.944 0.343 1
1 12 . 3 1 1 A 9 9 GLY N N 9 110.887 105.109 5.778 1
1 13 . 3 1 1 A 9 9 GLY H H 9 8.241 7.458 0.783 1
1 14 . 3 1 1 A 9 9 GLY CA C 9 45.373 45.660 -0.287 1
1 15 . 3 1 1 A 9 9 GLY HA2 H 9 4.009 4.025 -0.016 1
1 16 . 3 1 1 A 9 9 GLY HA3 H 9 3.917 4.027 -0.110 1
1 17 . 3 1 1 A 9 9 GLY C C 9 174.121 172.098 2.023 1
1 18 . 3 1 1 A 10 10 GLU N N 10 120.584 121.728 -1.144 1
1 19 . 3 1 1 A 10 10 GLU H H 10 8.075 8.421 -0.346 1
1 20 . 3 1 1 A 10 10 GLU CA C 10 56.436 54.729 1.707 1
1 21 . 3 1 1 A 10 10 GLU HA H 10 4.224 4.863 -0.639 1
1 22 . 3 1 1 A 10 10 GLU CB C 10 30.465 32.324 -1.859 1
1 28 . 3 1 1 A 10 10 GLU C C 10 176.282 175.850 0.432 1
1 29 . 3 1 1 A 11 11 LYS N N 11 123.004 121.050 1.954 1
1 30 . 3 1 1 A 11 11 LYS H H 11 8.295 8.624 -0.329 1
1 31 . 3 1 1 A 11 11 LYS CA C 11 53.874 54.631 -0.757 1
1 32 . 3 1 1 A 11 11 LYS HA H 11 4.515 4.438 0.077 1
1 33 . 3 1 1 A 11 11 LYS CB C 11 32.609 31.730 0.879 1
1 45 . 3 1 1 A 11 11 LYS C C 11 174.534 176.542 -2.008 1
1 46 . 3 1 1 A 12 12 PRO CA C 12 62.928 64.013 -1.085 1
1 47 . 3 1 1 A 12 12 PRO HA H 12 4.296 4.350 -0.054 1
1 48 . 3 1 1 A 12 12 PRO CB C 12 32.274 31.102 1.172 1
1 57 . 3 1 1 A 12 12 PRO C C 12 176.489 175.575 0.914 1
1 58 . 3 1 1 A 13 13 TYR N N 13 119.870 119.496 0.374 1
1 59 . 3 1 1 A 13 13 TYR H H 13 8.106 7.546 0.560 1
1 60 . 3 1 1 A 13 13 TYR CA C 13 57.209 56.634 0.575 1
1 61 . 3 1 1 A 13 13 TYR HA H 13 4.588 5.248 -0.660 1
1 62 . 3 1 1 A 13 13 TYR CB C 13 38.107 40.127 -2.020 1
1 73 . 3 1 1 A 13 13 TYR C C 13 174.089 174.329 -0.240 1
1 74 . 3 1 1 A 14 14 LYS N N 14 124.673 124.807 -0.134 1
1 75 . 3 1 1 A 14 14 LYS H H 14 8.358 8.950 -0.592 1
1 76 . 3 1 1 A 14 14 LYS CA C 14 54.730 54.949 -0.219 1
1 77 . 3 1 1 A 14 14 LYS HA H 14 5.077 5.239 -0.162 1
1 78 . 3 1 1 A 14 14 LYS CB C 14 36.068 36.024 0.044 1
1 90 . 3 1 1 A 14 14 LYS C C 14 175.181 175.265 -0.084 1
1 91 . 3 1 1 A 15 15 CYS N N 15 127.857 125.134 2.723 1
1 92 . 3 1 1 A 15 15 CYS H H 15 9.307 9.127 0.180 1
1 93 . 3 1 1 A 15 15 CYS CA C 15 59.474 60.314 -0.840 1
1 94 . 3 1 1 A 15 15 CYS HA H 15 4.524 4.520 0.004 1
1 95 . 3 1 1 A 15 15 CYS CB C 15 29.634 28.798 0.836 1
1 98 . 3 1 1 A 15 15 CYS C C 15 176.857 175.842 1.015 1
1 99 . 3 1 1 A 16 16 ASN CA C 16 55.608 53.325 2.283 1
1 100 . 3 1 1 A 16 16 ASN HA H 16 4.497 5.006 -0.509 1
1 101 . 3 1 1 A 16 16 ASN CB C 16 38.265 38.797 -0.532 1
1 107 . 3 1 1 A 16 16 ASN C C 16 175.434 175.692 -0.258 1
1 108 . 3 1 1 A 17 17 GLU N N 17 120.770 117.301 3.469 1
1 109 . 3 1 1 A 17 17 GLU H H 17 8.702 7.569 1.133 1
1 110 . 3 1 1 A 17 17 GLU CA C 17 58.818 57.049 1.769 1
1 111 . 3 1 1 A 17 17 GLU HA H 17 4.184 4.439 -0.255 1
1 112 . 3 1 1 A 17 17 GLU CB C 17 29.358 31.313 -1.955 1
1 118 . 3 1 1 A 17 17 GLU C C 17 177.178 177.960 -0.782 1
1 119 . 3 1 1 A 18 18 CYS N N 18 127.684 115.138 12.546 1
1 120 . 3 1 1 A 18 18 CYS H H 18 7.913 8.146 -0.233 1
1 121 . 3 1 1 A 18 18 CYS CA C 18 58.271 59.301 -1.030 1
1 122 . 3 1 1 A 18 18 CYS HA H 18 5.140 4.659 0.481 1
1 123 . 3 1 1 A 18 18 CYS CB C 18 32.384 30.250 2.134 1
1 126 . 3 1 1 A 18 18 CYS C C 18 176.250 175.579 0.671 1
1 127 . 3 1 1 A 19 19 GLY N N 19 113.588 110.189 3.399 1
1 128 . 3 1 1 A 19 19 GLY H H 19 8.163 8.288 -0.125 1
1 129 . 3 1 1 A 19 19 GLY CA C 19 46.206 45.432 0.774 1
1 130 . 3 1 1 A 19 19 GLY HA2 H 19 4.213 4.031 0.182 1
1 131 . 3 1 1 A 19 19 GLY HA3 H 19 3.710 4.047 -0.337 1
1 132 . 3 1 1 A 19 19 GLY C C 19 173.538 174.608 -1.070 1
1 133 . 3 1 1 A 20 20 LYS N N 20 122.672 119.839 2.833 1
1 134 . 3 1 1 A 20 20 LYS H H 20 7.898 7.892 0.006 1
1 135 . 3 1 1 A 20 20 LYS CA C 20 58.243 55.777 2.466 1
1 136 . 3 1 1 A 20 20 LYS HA H 20 3.956 4.431 -0.475 1
1 137 . 3 1 1 A 20 20 LYS CB C 20 33.796 34.258 -0.462 1
1 149 . 3 1 1 A 20 20 LYS C C 20 174.305 175.098 -0.793 1
1 150 . 3 1 1 A 21 21 VAL N N 21 117.669 119.236 -1.567 1
1 151 . 3 1 1 A 21 21 VAL H H 21 7.616 7.912 -0.296 1
1 152 . 3 1 1 A 21 21 VAL CA C 21 60.531 60.427 0.104 1
1 153 . 3 1 1 A 21 21 VAL HA H 21 4.729 4.981 -0.252 1
1 154 . 3 1 1 A 21 21 VAL CB C 21 33.937 35.802 -1.865 1
1 164 . 3 1 1 A 21 21 VAL C C 21 175.221 174.218 1.003 1
1 165 . 3 1 1 A 22 22 PHE N N 22 121.686 123.931 -2.245 1
1 166 . 3 1 1 A 22 22 PHE H H 22 8.732 9.127 -0.395 1
1 167 . 3 1 1 A 22 22 PHE CA C 22 56.827 56.539 0.288 1
1 168 . 3 1 1 A 22 22 PHE HA H 22 4.874 4.979 -0.105 1
1 169 . 3 1 1 A 22 22 PHE CB C 22 43.461 43.551 -0.090 1
1 182 . 3 1 1 A 22 22 PHE C C 22 175.698 175.834 -0.136 1
1 183 . 3 1 1 A 23 23 THR N N 23 111.308 115.910 -4.602 1
1 184 . 3 1 1 A 23 23 THR H H 23 9.483 8.834 0.649 1
1 185 . 3 1 1 A 23 23 THR CA C 23 63.243 63.754 -0.511 1
1 186 . 3 1 1 A 23 23 THR HA H 23 4.536 4.477 0.059 1
1 187 . 3 1 1 A 23 23 THR CB C 23 69.668 69.530 0.138 1
1 193 . 3 1 1 A 23 23 THR C C 23 174.904 174.357 0.547 1
1 194 . 3 1 1 A 24 24 GLN N N 24 128.363 120.033 8.330 1
1 195 . 3 1 1 A 24 24 GLN H H 24 7.069 7.821 -0.752 1
1 196 . 3 1 1 A 24 24 GLN CA C 24 54.007 53.264 0.743 1
1 197 . 3 1 1 A 24 24 GLN HA H 24 4.503 4.259 0.244 1
1 198 . 3 1 1 A 24 24 GLN CB C 24 31.943 30.439 1.504 1
1 207 . 3 1 1 A 24 24 GLN C C 24 175.897 175.246 0.651 1
1 208 . 3 1 1 A 25 25 ASN CA C 25 56.162 56.686 -0.524 1
1 209 . 3 1 1 A 25 25 ASN HA H 25 3.578 3.963 -0.385 1
1 210 . 3 1 1 A 25 25 ASN CB C 25 38.265 38.417 -0.152 1
1 216 . 3 1 1 A 26 26 SER CA C 26 60.828 62.233 -1.405 1
1 217 . 3 1 1 A 26 26 SER HA H 26 4.010 4.047 -0.037 1
1 218 . 3 1 1 A 26 26 SER CB C 26 61.674 62.755 -1.081 1
1 221 . 3 1 1 A 26 26 SER C C 26 177.106 176.429 0.677 1
1 222 . 3 1 1 A 27 27 HIS N N 27 121.567 119.401 2.166 1
1 223 . 3 1 1 A 27 27 HIS H H 27 6.745 7.636 -0.891 1
1 224 . 3 1 1 A 27 27 HIS CA C 27 57.025 59.052 -2.027 1
1 225 . 3 1 1 A 27 27 HIS HA H 27 4.387 4.235 0.152 1
1 226 . 3 1 1 A 27 27 HIS CB C 27 31.749 29.767 1.982 1
1 233 . 3 1 1 A 27 27 HIS C C 27 178.165 177.379 0.786 1
1 234 . 3 1 1 A 28 28 LEU N N 28 122.201 120.685 1.516 1
1 235 . 3 1 1 A 28 28 LEU H H 28 6.890 7.668 -0.778 1
1 236 . 3 1 1 A 28 28 LEU CA C 28 57.568 57.454 0.114 1
1 237 . 3 1 1 A 28 28 LEU HA H 28 3.133 2.622 0.511 1
1 238 . 3 1 1 A 28 28 LEU CB C 28 40.421 41.776 -1.355 1
1 251 . 3 1 1 A 28 28 LEU C C 28 177.398 178.146 -0.748 1
1 252 . 3 1 1 A 29 29 ALA N N 29 120.974 120.264 0.710 1
1 253 . 3 1 1 A 29 29 ALA H H 29 8.291 8.456 -0.165 1
1 254 . 3 1 1 A 29 29 ALA CA C 29 55.296 55.404 -0.108 1
1 255 . 3 1 1 A 29 29 ALA HA H 29 3.906 4.001 -0.095 1
1 256 . 3 1 1 A 29 29 ALA CB C 29 17.744 18.511 -0.767 1
1 260 . 3 1 1 A 29 29 ALA C C 29 180.489 179.636 0.853 1
1 261 . 3 1 1 A 30 30 ARG N N 30 116.427 116.981 -0.554 1
1 262 . 3 1 1 A 30 30 ARG H H 30 7.431 8.113 -0.682 1
1 263 . 3 1 1 A 30 30 ARG CA C 30 58.472 58.798 -0.326 1
1 264 . 3 1 1 A 30 30 ARG HA H 30 4.022 4.057 -0.035 1
1 265 . 3 1 1 A 30 30 ARG CB C 30 30.232 29.912 0.320 1
1 274 . 3 1 1 A 30 30 ARG C C 30 178.403 178.369 0.034 1
1 275 . 3 1 1 A 31 31 HIS N N 31 119.659 120.226 -0.567 1
1 276 . 3 1 1 A 31 31 HIS H H 31 7.576 8.198 -0.622 1
1 277 . 3 1 1 A 31 31 HIS CA C 31 58.796 59.847 -1.051 1
1 278 . 3 1 1 A 31 31 HIS HA H 31 4.203 4.197 0.006 1
1 279 . 3 1 1 A 31 31 HIS CB C 31 28.745 29.617 -0.872 1
1 286 . 3 1 1 A 31 31 HIS C C 31 175.860 177.158 -1.298 1
1 287 . 3 1 1 A 32 32 ARG N N 32 128.186 117.760 10.426 1
1 288 . 3 1 1 A 32 32 ARG H H 32 8.021 8.355 -0.334 1
1 289 . 3 1 1 A 32 32 ARG CA C 32 59.996 58.953 1.043 1
1 290 . 3 1 1 A 32 32 ARG HA H 32 3.735 3.919 -0.184 1
1 291 . 3 1 1 A 32 32 ARG CB C 32 30.005 29.871 0.134 1
1 300 . 3 1 1 A 32 32 ARG C C 32 178.010 179.777 -1.767 1
1 301 . 3 1 1 A 33 33 GLY N N 33 118.610 108.197 10.413 1
1 302 . 3 1 1 A 33 33 GLY H H 33 7.577 7.905 -0.328 1
1 303 . 3 1 1 A 33 33 GLY CA C 33 46.501 47.331 -0.830 1
1 304 . 3 1 1 A 33 33 GLY HA2 H 33 3.856 3.613 0.243 1
1 305 . 3 1 1 A 33 33 GLY HA3 H 33 3.976 3.632 0.344 1
1 306 . 3 1 1 A 33 33 GLY C C 33 175.874 176.035 -0.161 1
1 307 . 3 1 1 A 34 34 ILE N N 34 118.491 119.889 -1.398 1
1 308 . 3 1 1 A 34 34 ILE H H 34 7.804 7.883 -0.079 1
1 309 . 3 1 1 A 34 34 ILE CA C 34 62.728 64.234 -1.506 1
1 310 . 3 1 1 A 34 34 ILE HA H 34 4.012 3.731 0.281 1
1 311 . 3 1 1 A 34 34 ILE CB C 34 37.640 37.262 0.378 1
1 324 . 3 1 1 A 34 34 ILE C C 34 177.422 177.569 -0.147 1
1 325 . 3 1 1 A 35 35 HIS N N 35 117.828 119.684 -1.856 1
1 326 . 3 1 1 A 35 35 HIS H H 35 7.323 7.284 0.039 1
1 327 . 3 1 1 A 35 35 HIS CA C 35 55.311 57.624 -2.313 1
1 328 . 3 1 1 A 35 35 HIS HA H 35 4.861 4.472 0.389 1
1 329 . 3 1 1 A 35 35 HIS CB C 35 28.630 31.138 -2.508 1
1 336 . 3 1 1 A 35 35 HIS C C 35 175.768 175.574 0.194 1
1 337 . 3 1 1 A 36 36 THR N N 36 112.063 107.964 4.099 1
1 338 . 3 1 1 A 36 36 THR H H 36 7.784 7.823 -0.039 1
1 339 . 3 1 1 A 36 36 THR CA C 36 62.436 60.564 1.872 1
1 340 . 3 1 1 A 36 36 THR HA H 36 4.330 4.789 -0.459 1
1 341 . 3 1 1 A 36 36 THR CB C 36 69.703 71.314 -1.611 1
1 347 . 3 1 1 A 36 36 THR C C 36 175.321 172.825 2.496 1
1 348 . 3 1 1 A 37 37 GLY N N 37 111.105 110.518 0.587 1
1 349 . 3 1 1 A 37 37 GLY H H 37 8.435 8.903 -0.468 1
1 350 . 3 1 1 A 37 37 GLY CA C 37 45.313 44.139 1.174 1
1 351 . 3 1 1 A 37 37 GLY HA2 H 37 3.969 4.359 -0.390 1
1 352 . 3 1 1 A 37 37 GLY HA3 H 37 3.969 4.360 -0.391 1
1 353 . 3 1 1 A 37 37 GLY C C 37 174.049 172.859 1.190 1
1 354 . 3 1 1 A 38 38 GLU N N 38 120.555 121.394 -0.839 1
1 355 . 3 1 1 A 38 38 GLU H H 38 8.211 8.517 -0.306 1
1 356 . 3 1 1 A 38 38 GLU CA C 38 56.448 57.438 -0.990 1
1 357 . 3 1 1 A 38 38 GLU HA H 38 4.222 4.137 0.085 1
1 358 . 3 1 1 A 38 38 GLU CB C 38 36.225 29.668 6.557 1
1 364 . 3 1 1 A 38 38 GLU C C 38 176.258 177.066 -0.808 1
1 365 . 3 1 1 A 39 39 LYS N N 39 123.818 125.570 -1.752 1
1 366 . 3 1 1 A 39 39 LYS H H 39 8.392 8.367 0.025 1
1 367 . 3 1 1 A 39 39 LYS CA C 39 54.059 55.294 -1.235 1
1 368 . 3 1 1 A 39 39 LYS HA H 39 4.580 4.261 0.319 1
1 369 . 3 1 1 A 39 39 LYS CB C 39 32.451 32.078 0.373 1
1 381 . 3 1 1 A 39 39 LYS C C 39 174.049 176.550 -2.501 1
1 382 . 3 1 1 A 40 40 PRO CA C 40 63.172 64.152 -0.980 1
1 383 . 3 1 1 A 40 40 PRO HA H 40 4.444 4.513 -0.069 1
1 384 . 3 1 1 A 40 40 PRO CB C 40 32.143 31.889 0.254 1
1 393 . 3 1 1 A 40 40 PRO C C 40 177.021 176.134 0.887 1
1 394 . 3 1 1 A 41 41 SER N N 41 116.548 114.333 2.215 1
1 395 . 3 1 1 A 41 41 SER H H 41 8.473 7.632 0.841 1
1 396 . 3 1 1 A 41 41 SER CA C 41 58.308 58.857 -0.549 1
1 397 . 3 1 1 A 41 41 SER HA H 41 4.455 4.354 0.101 1
1 398 . 3 1 1 A 41 41 SER CB C 41 63.988 63.510 0.478 1
1 401 . 3 1 1 A 41 41 SER C C 41 177.006 174.026 2.980 1
1 402 . 3 1 1 A 42 42 GLY CA C 42 44.654 45.402 -0.748 1
1 403 . 3 1 1 A 42 42 GLY HA2 H 42 4.086 4.234 -0.148 1
1 404 . 3 1 1 A 42 42 GLY HA3 H 42 4.125 4.234 -0.109 1
1 405 . 3 1 1 A 43 43 PRO CA C 43 63.217 62.797 0.420 1
1 406 . 3 1 1 A 43 43 PRO HA H 43 4.445 4.627 -0.182 1
1 407 . 3 1 1 A 43 43 PRO CB C 43 32.196 32.861 -0.665 1
1 416 . 3 1 1 A 45 45 SER CA C 45 58.418 61.738 -3.320 1
1 417 . 3 1 1 A 45 45 SER HA H 45 4.478 4.189 0.289 1
1 418 . 3 1 1 A 45 45 SER CB C 45 63.838 63.234 0.604 1
1 420 . 3 1 1 A 45 45 SER C C 45 173.908 174.802 -0.894 1
1 1 . 4 1 1 A 8 8 THR N N 8 112.857 117.187 -4.330 1
1 2 . 4 1 1 A 8 8 THR H H 8 8.147 8.462 -0.315 1
1 3 . 4 1 1 A 8 8 THR CA C 8 61.875 61.034 0.841 1
1 4 . 4 1 1 A 8 8 THR HA H 8 4.345 4.509 -0.164 1
1 5 . 4 1 1 A 8 8 THR CB C 8 70.012 68.078 1.934 1
1 11 . 4 1 1 A 8 8 THR C C 8 175.287 174.327 0.960 1
1 12 . 4 1 1 A 9 9 GLY N N 9 110.887 110.077 0.810 1
1 13 . 4 1 1 A 9 9 GLY H H 9 8.241 7.898 0.343 1
1 14 . 4 1 1 A 9 9 GLY CA C 9 45.373 46.909 -1.536 1
1 15 . 4 1 1 A 9 9 GLY HA2 H 9 4.009 3.924 0.085 1
1 16 . 4 1 1 A 9 9 GLY HA3 H 9 3.917 3.927 -0.010 1
1 17 . 4 1 1 A 9 9 GLY C C 9 174.121 174.727 -0.606 1
1 18 . 4 1 1 A 10 10 GLU N N 10 120.584 118.679 1.905 1
1 19 . 4 1 1 A 10 10 GLU H H 10 8.075 7.925 0.150 1
1 20 . 4 1 1 A 10 10 GLU CA C 10 56.436 56.687 -0.251 1
1 21 . 4 1 1 A 10 10 GLU HA H 10 4.224 4.263 -0.039 1
1 22 . 4 1 1 A 10 10 GLU CB C 10 30.465 30.009 0.456 1
1 28 . 4 1 1 A 10 10 GLU C C 10 176.282 176.207 0.075 1
1 29 . 4 1 1 A 11 11 LYS N N 11 123.004 122.931 0.073 1
1 30 . 4 1 1 A 11 11 LYS H H 11 8.295 8.776 -0.481 1
1 31 . 4 1 1 A 11 11 LYS CA C 11 53.874 54.220 -0.346 1
1 32 . 4 1 1 A 11 11 LYS HA H 11 4.515 4.498 0.017 1
1 33 . 4 1 1 A 11 11 LYS CB C 11 32.609 31.805 0.804 1
1 45 . 4 1 1 A 11 11 LYS C C 11 174.534 176.596 -2.062 1
1 46 . 4 1 1 A 12 12 PRO CA C 12 62.928 64.317 -1.389 1
1 47 . 4 1 1 A 12 12 PRO HA H 12 4.296 4.349 -0.053 1
1 48 . 4 1 1 A 12 12 PRO CB C 12 32.274 31.415 0.859 1
1 57 . 4 1 1 A 12 12 PRO C C 12 176.489 175.728 0.761 1
1 58 . 4 1 1 A 13 13 TYR N N 13 119.870 118.931 0.939 1
1 59 . 4 1 1 A 13 13 TYR H H 13 8.106 7.758 0.348 1
1 60 . 4 1 1 A 13 13 TYR CA C 13 57.209 56.737 0.472 1
1 61 . 4 1 1 A 13 13 TYR HA H 13 4.588 4.984 -0.396 1
1 62 . 4 1 1 A 13 13 TYR CB C 13 38.107 39.075 -0.968 1
1 73 . 4 1 1 A 13 13 TYR C C 13 174.089 174.160 -0.071 1
1 74 . 4 1 1 A 14 14 LYS N N 14 124.673 125.237 -0.564 1
1 75 . 4 1 1 A 14 14 LYS H H 14 8.358 8.868 -0.510 1
1 76 . 4 1 1 A 14 14 LYS CA C 14 54.730 54.748 -0.018 1
1 77 . 4 1 1 A 14 14 LYS HA H 14 5.077 5.348 -0.271 1
1 78 . 4 1 1 A 14 14 LYS CB C 14 36.068 36.472 -0.404 1
1 90 . 4 1 1 A 14 14 LYS C C 14 175.181 175.199 -0.018 1
1 91 . 4 1 1 A 15 15 CYS N N 15 127.857 125.071 2.786 1
1 92 . 4 1 1 A 15 15 CYS H H 15 9.307 9.011 0.296 1
1 93 . 4 1 1 A 15 15 CYS CA C 15 59.474 60.156 -0.682 1
1 94 . 4 1 1 A 15 15 CYS HA H 15 4.524 4.666 -0.142 1
1 95 . 4 1 1 A 15 15 CYS CB C 15 29.634 28.396 1.238 1
1 98 . 4 1 1 A 15 15 CYS C C 15 176.857 175.410 1.447 1
1 99 . 4 1 1 A 16 16 ASN CA C 16 55.608 54.664 0.944 1
1 100 . 4 1 1 A 16 16 ASN HA H 16 4.497 4.743 -0.246 1
1 101 . 4 1 1 A 16 16 ASN CB C 16 38.265 38.711 -0.446 1
1 107 . 4 1 1 A 16 16 ASN C C 16 175.434 177.299 -1.865 1
1 108 . 4 1 1 A 17 17 GLU N N 17 120.770 118.616 2.154 1
1 109 . 4 1 1 A 17 17 GLU H H 17 8.702 7.866 0.836 1
1 110 . 4 1 1 A 17 17 GLU CA C 17 58.818 58.789 0.029 1
1 111 . 4 1 1 A 17 17 GLU HA H 17 4.184 3.905 0.279 1
1 112 . 4 1 1 A 17 17 GLU CB C 17 29.358 28.924 0.434 1
1 118 . 4 1 1 A 17 17 GLU C C 17 177.178 177.893 -0.715 1
1 119 . 4 1 1 A 18 18 CYS N N 18 127.684 114.966 12.718 1
1 120 . 4 1 1 A 18 18 CYS H H 18 7.913 7.389 0.524 1
1 121 . 4 1 1 A 18 18 CYS CA C 18 58.271 59.699 -1.428 1
1 122 . 4 1 1 A 18 18 CYS HA H 18 5.140 4.611 0.529 1
1 123 . 4 1 1 A 18 18 CYS CB C 18 32.384 29.887 2.497 1
1 126 . 4 1 1 A 18 18 CYS C C 18 176.250 175.344 0.906 1
1 127 . 4 1 1 A 19 19 GLY N N 19 113.588 110.173 3.415 1
1 128 . 4 1 1 A 19 19 GLY H H 19 8.163 8.022 0.141 1
1 129 . 4 1 1 A 19 19 GLY CA C 19 46.206 45.172 1.034 1
1 130 . 4 1 1 A 19 19 GLY HA2 H 19 4.213 4.070 0.143 1
1 131 . 4 1 1 A 19 19 GLY HA3 H 19 3.710 4.088 -0.378 1
1 132 . 4 1 1 A 19 19 GLY C C 19 173.538 174.720 -1.182 1
1 133 . 4 1 1 A 20 20 LYS N N 20 122.672 119.829 2.843 1
1 134 . 4 1 1 A 20 20 LYS H H 20 7.898 7.861 0.037 1
1 135 . 4 1 1 A 20 20 LYS CA C 20 58.243 55.923 2.320 1
1 136 . 4 1 1 A 20 20 LYS HA H 20 3.956 4.424 -0.468 1
1 137 . 4 1 1 A 20 20 LYS CB C 20 33.796 34.147 -0.351 1
1 149 . 4 1 1 A 20 20 LYS C C 20 174.305 175.039 -0.734 1
1 150 . 4 1 1 A 21 21 VAL N N 21 117.669 119.155 -1.486 1
1 151 . 4 1 1 A 21 21 VAL H H 21 7.616 7.908 -0.292 1
1 152 . 4 1 1 A 21 21 VAL CA C 21 60.531 60.435 0.096 1
1 153 . 4 1 1 A 21 21 VAL HA H 21 4.729 4.939 -0.210 1
1 154 . 4 1 1 A 21 21 VAL CB C 21 33.937 35.830 -1.893 1
1 164 . 4 1 1 A 21 21 VAL C C 21 175.221 174.092 1.129 1
1 165 . 4 1 1 A 22 22 PHE N N 22 121.686 124.495 -2.809 1
1 166 . 4 1 1 A 22 22 PHE H H 22 8.732 9.341 -0.609 1
1 167 . 4 1 1 A 22 22 PHE CA C 22 56.827 56.124 0.703 1
1 168 . 4 1 1 A 22 22 PHE HA H 22 4.874 5.023 -0.149 1
1 169 . 4 1 1 A 22 22 PHE CB C 22 43.461 43.779 -0.318 1
1 182 . 4 1 1 A 22 22 PHE C C 22 175.698 175.614 0.084 1
1 183 . 4 1 1 A 23 23 THR N N 23 111.308 116.141 -4.833 1
1 184 . 4 1 1 A 23 23 THR H H 23 9.483 8.782 0.701 1
1 185 . 4 1 1 A 23 23 THR CA C 23 63.243 62.542 0.701 1
1 186 . 4 1 1 A 23 23 THR HA H 23 4.536 4.499 0.037 1
1 187 . 4 1 1 A 23 23 THR CB C 23 69.668 70.177 -0.509 1
1 193 . 4 1 1 A 23 23 THR C C 23 174.904 173.744 1.160 1
1 194 . 4 1 1 A 24 24 GLN N N 24 128.363 119.465 8.898 1
1 195 . 4 1 1 A 24 24 GLN H H 24 7.069 7.244 -0.175 1
1 196 . 4 1 1 A 24 24 GLN CA C 24 54.007 53.771 0.236 1
1 197 . 4 1 1 A 24 24 GLN HA H 24 4.503 4.255 0.248 1
1 198 . 4 1 1 A 24 24 GLN CB C 24 31.943 31.508 0.435 1
1 207 . 4 1 1 A 24 24 GLN C C 24 175.897 175.511 0.386 1
1 208 . 4 1 1 A 25 25 ASN CA C 25 56.162 55.425 0.737 1
1 209 . 4 1 1 A 25 25 ASN HA H 25 3.578 4.388 -0.810 1
1 210 . 4 1 1 A 25 25 ASN CB C 25 38.265 38.288 -0.023 1
1 216 . 4 1 1 A 26 26 SER CA C 26 60.828 61.198 -0.370 1
1 217 . 4 1 1 A 26 26 SER HA H 26 4.010 4.157 -0.147 1
1 218 . 4 1 1 A 26 26 SER CB C 26 61.674 62.670 -0.996 1
1 221 . 4 1 1 A 26 26 SER C C 26 177.106 177.160 -0.054 1
1 222 . 4 1 1 A 27 27 HIS N N 27 121.567 118.687 2.880 1
1 223 . 4 1 1 A 27 27 HIS H H 27 6.745 7.948 -1.203 1
1 224 . 4 1 1 A 27 27 HIS CA C 27 57.025 59.170 -2.145 1
1 225 . 4 1 1 A 27 27 HIS HA H 27 4.387 4.293 0.094 1
1 226 . 4 1 1 A 27 27 HIS CB C 27 31.749 29.646 2.103 1
1 233 . 4 1 1 A 27 27 HIS C C 27 178.165 177.505 0.660 1
1 234 . 4 1 1 A 28 28 LEU N N 28 122.201 120.795 1.406 1
1 235 . 4 1 1 A 28 28 LEU H H 28 6.890 7.846 -0.956 1
1 236 . 4 1 1 A 28 28 LEU CA C 28 57.568 57.194 0.374 1
1 237 . 4 1 1 A 28 28 LEU HA H 28 3.133 2.460 0.673 1
1 238 . 4 1 1 A 28 28 LEU CB C 28 40.421 41.485 -1.064 1
1 251 . 4 1 1 A 28 28 LEU C C 28 177.398 177.752 -0.354 1
1 252 . 4 1 1 A 29 29 ALA N N 29 120.974 120.682 0.292 1
1 253 . 4 1 1 A 29 29 ALA H H 29 8.291 8.565 -0.274 1
1 254 . 4 1 1 A 29 29 ALA CA C 29 55.296 55.743 -0.447 1
1 255 . 4 1 1 A 29 29 ALA HA H 29 3.906 4.051 -0.145 1
1 256 . 4 1 1 A 29 29 ALA CB C 29 17.744 18.223 -0.479 1
1 260 . 4 1 1 A 29 29 ALA C C 29 180.489 179.647 0.842 1
1 261 . 4 1 1 A 30 30 ARG N N 30 116.427 117.205 -0.778 1
1 262 . 4 1 1 A 30 30 ARG H H 30 7.431 8.272 -0.841 1
1 263 . 4 1 1 A 30 30 ARG CA C 30 58.472 58.621 -0.149 1
1 264 . 4 1 1 A 30 30 ARG HA H 30 4.022 4.062 -0.040 1
1 265 . 4 1 1 A 30 30 ARG CB C 30 30.232 30.156 0.076 1
1 274 . 4 1 1 A 30 30 ARG C C 30 178.403 178.258 0.145 1
1 275 . 4 1 1 A 31 31 HIS N N 31 119.659 120.205 -0.546 1
1 276 . 4 1 1 A 31 31 HIS H H 31 7.576 7.619 -0.043 1
1 277 . 4 1 1 A 31 31 HIS CA C 31 58.796 59.732 -0.936 1
1 278 . 4 1 1 A 31 31 HIS HA H 31 4.203 4.226 -0.023 1
1 279 . 4 1 1 A 31 31 HIS CB C 31 28.745 29.826 -1.081 1
1 286 . 4 1 1 A 31 31 HIS C C 31 175.860 176.695 -0.835 1
1 287 . 4 1 1 A 32 32 ARG N N 32 128.186 117.336 10.850 1
1 288 . 4 1 1 A 32 32 ARG H H 32 8.021 8.149 -0.128 1
1 289 . 4 1 1 A 32 32 ARG CA C 32 59.996 58.861 1.135 1
1 290 . 4 1 1 A 32 32 ARG HA H 32 3.735 3.884 -0.149 1
1 291 . 4 1 1 A 32 32 ARG CB C 32 30.005 29.897 0.108 1
1 300 . 4 1 1 A 32 32 ARG C C 32 178.010 179.715 -1.705 1
1 301 . 4 1 1 A 33 33 GLY N N 33 118.610 108.393 10.217 1
1 302 . 4 1 1 A 33 33 GLY H H 33 7.577 8.046 -0.469 1
1 303 . 4 1 1 A 33 33 GLY CA C 33 46.501 47.274 -0.773 1
1 304 . 4 1 1 A 33 33 GLY HA2 H 33 3.856 3.622 0.234 1
1 305 . 4 1 1 A 33 33 GLY HA3 H 33 3.976 3.640 0.336 1
1 306 . 4 1 1 A 33 33 GLY C C 33 175.874 176.098 -0.224 1
1 307 . 4 1 1 A 34 34 ILE N N 34 118.491 119.923 -1.432 1
1 308 . 4 1 1 A 34 34 ILE H H 34 7.804 8.230 -0.426 1
1 309 . 4 1 1 A 34 34 ILE CA C 34 62.728 64.512 -1.784 1
1 310 . 4 1 1 A 34 34 ILE HA H 34 4.012 3.725 0.287 1
1 311 . 4 1 1 A 34 34 ILE CB C 34 37.640 37.287 0.353 1
1 324 . 4 1 1 A 34 34 ILE C C 34 177.422 177.821 -0.399 1
1 325 . 4 1 1 A 35 35 HIS N N 35 117.828 119.642 -1.814 1
1 326 . 4 1 1 A 35 35 HIS H H 35 7.323 7.360 -0.037 1
1 327 . 4 1 1 A 35 35 HIS CA C 35 55.311 58.816 -3.505 1
1 328 . 4 1 1 A 35 35 HIS HA H 35 4.861 4.356 0.505 1
1 329 . 4 1 1 A 35 35 HIS CB C 35 28.630 30.992 -2.362 1
1 336 . 4 1 1 A 35 35 HIS C C 35 175.768 175.579 0.189 1
1 337 . 4 1 1 A 36 36 THR N N 36 112.063 108.894 3.169 1
1 338 . 4 1 1 A 36 36 THR H H 36 7.784 7.818 -0.034 1
1 339 . 4 1 1 A 36 36 THR CA C 36 62.436 60.945 1.491 1
1 340 . 4 1 1 A 36 36 THR HA H 36 4.330 4.529 -0.199 1
1 341 . 4 1 1 A 36 36 THR CB C 36 69.703 70.709 -1.006 1
1 347 . 4 1 1 A 36 36 THR C C 36 175.321 173.427 1.894 1
1 348 . 4 1 1 A 37 37 GLY N N 37 111.105 110.116 0.989 1
1 349 . 4 1 1 A 37 37 GLY H H 37 8.435 8.445 -0.010 1
1 350 . 4 1 1 A 37 37 GLY CA C 37 45.313 46.232 -0.919 1
1 351 . 4 1 1 A 37 37 GLY HA2 H 37 3.969 4.158 -0.189 1
1 352 . 4 1 1 A 37 37 GLY HA3 H 37 3.969 4.165 -0.196 1
1 353 . 4 1 1 A 37 37 GLY C C 37 174.049 172.157 1.892 1
1 354 . 4 1 1 A 38 38 GLU N N 38 120.555 122.154 -1.599 1
1 355 . 4 1 1 A 38 38 GLU H H 38 8.211 8.394 -0.183 1
1 356 . 4 1 1 A 38 38 GLU CA C 38 56.448 55.467 0.981 1
1 357 . 4 1 1 A 38 38 GLU HA H 38 4.222 4.571 -0.349 1
1 358 . 4 1 1 A 38 38 GLU CB C 38 36.225 30.237 5.988 1
1 364 . 4 1 1 A 38 38 GLU C C 38 176.258 175.045 1.213 1
1 365 . 4 1 1 A 39 39 LYS N N 39 123.818 123.418 0.400 1
1 366 . 4 1 1 A 39 39 LYS H H 39 8.392 8.397 -0.005 1
1 367 . 4 1 1 A 39 39 LYS CA C 39 54.059 54.540 -0.481 1
1 368 . 4 1 1 A 39 39 LYS HA H 39 4.580 4.825 -0.245 1
1 369 . 4 1 1 A 39 39 LYS CB C 39 32.451 32.769 -0.318 1
1 381 . 4 1 1 A 39 39 LYS C C 39 174.049 176.601 -2.552 1
1 382 . 4 1 1 A 40 40 PRO CA C 40 63.172 63.737 -0.565 1
1 383 . 4 1 1 A 40 40 PRO HA H 40 4.444 4.577 -0.133 1
1 384 . 4 1 1 A 40 40 PRO CB C 40 32.143 32.262 -0.119 1
1 393 . 4 1 1 A 40 40 PRO C C 40 177.021 176.388 0.633 1
1 394 . 4 1 1 A 41 41 SER N N 41 116.548 115.736 0.812 1
1 395 . 4 1 1 A 41 41 SER H H 41 8.473 7.834 0.639 1
1 396 . 4 1 1 A 41 41 SER CA C 41 58.308 60.528 -2.220 1
1 397 . 4 1 1 A 41 41 SER HA H 41 4.455 4.168 0.287 1
1 398 . 4 1 1 A 41 41 SER CB C 41 63.988 63.162 0.826 1
1 401 . 4 1 1 A 41 41 SER C C 41 177.006 175.691 1.315 1
1 402 . 4 1 1 A 42 42 GLY CA C 42 44.654 46.180 -1.526 1
1 403 . 4 1 1 A 42 42 GLY HA2 H 42 4.086 4.083 0.003 1
1 404 . 4 1 1 A 42 42 GLY HA3 H 42 4.125 4.083 0.042 1
1 405 . 4 1 1 A 43 43 PRO CA C 43 63.217 64.873 -1.656 1
1 406 . 4 1 1 A 43 43 PRO HA H 43 4.445 4.448 -0.003 1
1 407 . 4 1 1 A 43 43 PRO CB C 43 32.196 32.055 0.141 1
1 416 . 4 1 1 A 45 45 SER CA C 45 58.418 59.117 -0.699 1
1 417 . 4 1 1 A 45 45 SER HA H 45 4.478 4.541 -0.063 1
1 418 . 4 1 1 A 45 45 SER CB C 45 63.838 64.479 -0.641 1
1 420 . 4 1 1 A 45 45 SER C C 45 173.908 175.588 -1.680 1
1 1 . 5 1 1 A 8 8 THR N N 8 112.857 119.301 -6.444 1
1 2 . 5 1 1 A 8 8 THR H H 8 8.147 8.633 -0.486 1
1 3 . 5 1 1 A 8 8 THR CA C 8 61.875 59.664 2.211 1
1 4 . 5 1 1 A 8 8 THR HA H 8 4.345 4.866 -0.521 1
1 5 . 5 1 1 A 8 8 THR CB C 8 70.012 71.240 -1.228 1
1 11 . 5 1 1 A 8 8 THR C C 8 175.287 174.514 0.773 1
1 12 . 5 1 1 A 9 9 GLY N N 9 110.887 113.936 -3.049 1
1 13 . 5 1 1 A 9 9 GLY H H 9 8.241 8.595 -0.354 1
1 14 . 5 1 1 A 9 9 GLY CA C 9 45.373 46.230 -0.857 1
1 15 . 5 1 1 A 9 9 GLY HA2 H 9 4.009 3.962 0.047 1
1 16 . 5 1 1 A 9 9 GLY HA3 H 9 3.917 3.964 -0.047 1
1 17 . 5 1 1 A 9 9 GLY C C 9 174.121 174.203 -0.082 1
1 18 . 5 1 1 A 10 10 GLU N N 10 120.584 124.770 -4.186 1
1 19 . 5 1 1 A 10 10 GLU H H 10 8.075 8.456 -0.381 1
1 20 . 5 1 1 A 10 10 GLU CA C 10 56.436 57.029 -0.593 1
1 21 . 5 1 1 A 10 10 GLU HA H 10 4.224 4.286 -0.062 1
1 22 . 5 1 1 A 10 10 GLU CB C 10 30.465 30.790 -0.325 1
1 28 . 5 1 1 A 10 10 GLU C C 10 176.282 176.010 0.272 1
1 29 . 5 1 1 A 11 11 LYS N N 11 123.004 120.728 2.276 1
1 30 . 5 1 1 A 11 11 LYS H H 11 8.295 8.353 -0.058 1
1 31 . 5 1 1 A 11 11 LYS CA C 11 53.874 53.171 0.703 1
1 32 . 5 1 1 A 11 11 LYS HA H 11 4.515 4.828 -0.313 1
1 33 . 5 1 1 A 11 11 LYS CB C 11 32.609 33.627 -1.018 1
1 45 . 5 1 1 A 11 11 LYS C C 11 174.534 176.280 -1.746 1
1 46 . 5 1 1 A 12 12 PRO CA C 12 62.928 64.093 -1.165 1
1 47 . 5 1 1 A 12 12 PRO HA H 12 4.296 4.450 -0.154 1
1 48 . 5 1 1 A 12 12 PRO CB C 12 32.274 31.475 0.799 1
1 57 . 5 1 1 A 12 12 PRO C C 12 176.489 175.980 0.509 1
1 58 . 5 1 1 A 13 13 TYR N N 13 119.870 116.967 2.903 1
1 59 . 5 1 1 A 13 13 TYR H H 13 8.106 8.111 -0.005 1
1 60 . 5 1 1 A 13 13 TYR CA C 13 57.209 56.856 0.353 1
1 61 . 5 1 1 A 13 13 TYR HA H 13 4.588 4.894 -0.306 1
1 62 . 5 1 1 A 13 13 TYR CB C 13 38.107 38.122 -0.015 1
1 73 . 5 1 1 A 13 13 TYR C C 13 174.089 175.366 -1.277 1
1 74 . 5 1 1 A 14 14 LYS N N 14 124.673 121.634 3.039 1
1 75 . 5 1 1 A 14 14 LYS H H 14 8.358 7.737 0.621 1
1 76 . 5 1 1 A 14 14 LYS CA C 14 54.730 55.276 -0.546 1
1 77 . 5 1 1 A 14 14 LYS HA H 14 5.077 5.160 -0.083 1
1 78 . 5 1 1 A 14 14 LYS CB C 14 36.068 34.035 2.033 1
1 90 . 5 1 1 A 14 14 LYS C C 14 175.181 176.227 -1.046 1
1 91 . 5 1 1 A 15 15 CYS N N 15 127.857 125.525 2.332 1
1 92 . 5 1 1 A 15 15 CYS H H 15 9.307 9.022 0.285 1
1 93 . 5 1 1 A 15 15 CYS CA C 15 59.474 60.236 -0.762 1
1 94 . 5 1 1 A 15 15 CYS HA H 15 4.524 4.556 -0.032 1
1 95 . 5 1 1 A 15 15 CYS CB C 15 29.634 29.107 0.527 1
1 98 . 5 1 1 A 15 15 CYS C C 15 176.857 175.648 1.209 1
1 99 . 5 1 1 A 16 16 ASN CA C 16 55.608 55.352 0.256 1
1 100 . 5 1 1 A 16 16 ASN HA H 16 4.497 4.621 -0.124 1
1 101 . 5 1 1 A 16 16 ASN CB C 16 38.265 38.572 -0.307 1
1 107 . 5 1 1 A 16 16 ASN C C 16 175.434 177.445 -2.011 1
1 108 . 5 1 1 A 17 17 GLU N N 17 120.770 120.584 0.186 1
1 109 . 5 1 1 A 17 17 GLU H H 17 8.702 8.289 0.413 1
1 110 . 5 1 1 A 17 17 GLU CA C 17 58.818 59.034 -0.216 1
1 111 . 5 1 1 A 17 17 GLU HA H 17 4.184 3.882 0.302 1
1 112 . 5 1 1 A 17 17 GLU CB C 17 29.358 29.019 0.339 1
1 118 . 5 1 1 A 17 17 GLU C C 17 177.178 177.719 -0.541 1
1 119 . 5 1 1 A 18 18 CYS N N 18 127.684 114.887 12.797 1
1 120 . 5 1 1 A 18 18 CYS H H 18 7.913 7.835 0.078 1
1 121 . 5 1 1 A 18 18 CYS CA C 18 58.271 59.779 -1.508 1
1 122 . 5 1 1 A 18 18 CYS HA H 18 5.140 4.629 0.511 1
1 123 . 5 1 1 A 18 18 CYS CB C 18 32.384 29.958 2.426 1
1 126 . 5 1 1 A 18 18 CYS C C 18 176.250 175.564 0.686 1
1 127 . 5 1 1 A 19 19 GLY N N 19 113.588 109.866 3.722 1
1 128 . 5 1 1 A 19 19 GLY H H 19 8.163 7.779 0.384 1
1 129 . 5 1 1 A 19 19 GLY CA C 19 46.206 45.029 1.177 1
1 130 . 5 1 1 A 19 19 GLY HA2 H 19 4.213 4.074 0.139 1
1 131 . 5 1 1 A 19 19 GLY HA3 H 19 3.710 4.083 -0.373 1
1 132 . 5 1 1 A 19 19 GLY C C 19 173.538 174.521 -0.983 1
1 133 . 5 1 1 A 20 20 LYS N N 20 122.672 122.086 0.586 1
1 134 . 5 1 1 A 20 20 LYS H H 20 7.898 7.630 0.268 1
1 135 . 5 1 1 A 20 20 LYS CA C 20 58.243 55.856 2.387 1
1 136 . 5 1 1 A 20 20 LYS HA H 20 3.956 4.299 -0.343 1
1 137 . 5 1 1 A 20 20 LYS CB C 20 33.796 33.782 0.014 1
1 149 . 5 1 1 A 20 20 LYS C C 20 174.305 175.480 -1.175 1
1 150 . 5 1 1 A 21 21 VAL N N 21 117.669 123.779 -6.110 1
1 151 . 5 1 1 A 21 21 VAL H H 21 7.616 8.053 -0.437 1
1 152 . 5 1 1 A 21 21 VAL CA C 21 60.531 60.043 0.488 1
1 153 . 5 1 1 A 21 21 VAL HA H 21 4.729 4.907 -0.178 1
1 154 . 5 1 1 A 21 21 VAL CB C 21 33.937 35.795 -1.858 1
1 164 . 5 1 1 A 21 21 VAL C C 21 175.221 174.130 1.091 1
1 165 . 5 1 1 A 22 22 PHE N N 22 121.686 123.333 -1.647 1
1 166 . 5 1 1 A 22 22 PHE H H 22 8.732 8.878 -0.146 1
1 167 . 5 1 1 A 22 22 PHE CA C 22 56.827 56.528 0.299 1
1 168 . 5 1 1 A 22 22 PHE HA H 22 4.874 5.103 -0.229 1
1 169 . 5 1 1 A 22 22 PHE CB C 22 43.461 44.267 -0.806 1
1 182 . 5 1 1 A 22 22 PHE C C 22 175.698 175.178 0.520 1
1 183 . 5 1 1 A 23 23 THR N N 23 111.308 113.470 -2.162 1
1 184 . 5 1 1 A 23 23 THR H H 23 9.483 8.471 1.012 1
1 185 . 5 1 1 A 23 23 THR CA C 23 63.243 63.218 0.025 1
1 186 . 5 1 1 A 23 23 THR HA H 23 4.536 4.424 0.112 1
1 187 . 5 1 1 A 23 23 THR CB C 23 69.668 70.793 -1.125 1
1 193 . 5 1 1 A 23 23 THR C C 23 174.904 174.317 0.587 1
1 194 . 5 1 1 A 24 24 GLN N N 24 128.363 119.186 9.177 1
1 195 . 5 1 1 A 24 24 GLN H H 24 7.069 7.800 -0.731 1
1 196 . 5 1 1 A 24 24 GLN CA C 24 54.007 53.768 0.239 1
1 197 . 5 1 1 A 24 24 GLN HA H 24 4.503 4.132 0.371 1
1 198 . 5 1 1 A 24 24 GLN CB C 24 31.943 30.540 1.403 1
1 207 . 5 1 1 A 24 24 GLN C C 24 175.897 175.516 0.381 1
1 208 . 5 1 1 A 25 25 ASN CA C 25 56.162 57.127 -0.965 1
1 209 . 5 1 1 A 25 25 ASN HA H 25 3.578 4.493 -0.915 1
1 210 . 5 1 1 A 25 25 ASN CB C 25 38.265 38.747 -0.482 1
1 216 . 5 1 1 A 26 26 SER CA C 26 60.828 62.270 -1.442 1
1 217 . 5 1 1 A 26 26 SER HA H 26 4.010 4.082 -0.072 1
1 218 . 5 1 1 A 26 26 SER CB C 26 61.674 62.471 -0.797 1
1 221 . 5 1 1 A 26 26 SER C C 26 177.106 176.652 0.454 1
1 222 . 5 1 1 A 27 27 HIS N N 27 121.567 119.425 2.142 1
1 223 . 5 1 1 A 27 27 HIS H H 27 6.745 8.018 -1.273 1
1 224 . 5 1 1 A 27 27 HIS CA C 27 57.025 58.522 -1.497 1
1 225 . 5 1 1 A 27 27 HIS HA H 27 4.387 4.364 0.023 1
1 226 . 5 1 1 A 27 27 HIS CB C 27 31.749 29.504 2.245 1
1 233 . 5 1 1 A 27 27 HIS C C 27 178.165 177.514 0.651 1
1 234 . 5 1 1 A 28 28 LEU N N 28 122.201 120.679 1.522 1
1 235 . 5 1 1 A 28 28 LEU H H 28 6.890 7.943 -1.053 1
1 236 . 5 1 1 A 28 28 LEU CA C 28 57.568 57.054 0.514 1
1 237 . 5 1 1 A 28 28 LEU HA H 28 3.133 2.583 0.550 1
1 238 . 5 1 1 A 28 28 LEU CB C 28 40.421 41.822 -1.401 1
1 251 . 5 1 1 A 28 28 LEU C C 28 177.398 177.918 -0.520 1
1 252 . 5 1 1 A 29 29 ALA N N 29 120.974 120.607 0.367 1
1 253 . 5 1 1 A 29 29 ALA H H 29 8.291 8.729 -0.438 1
1 254 . 5 1 1 A 29 29 ALA CA C 29 55.296 55.417 -0.121 1
1 255 . 5 1 1 A 29 29 ALA HA H 29 3.906 4.000 -0.094 1
1 256 . 5 1 1 A 29 29 ALA CB C 29 17.744 18.465 -0.721 1
1 260 . 5 1 1 A 29 29 ALA C C 29 180.489 179.706 0.783 1
1 261 . 5 1 1 A 30 30 ARG N N 30 116.427 117.050 -0.623 1
1 262 . 5 1 1 A 30 30 ARG H H 30 7.431 8.290 -0.859 1
1 263 . 5 1 1 A 30 30 ARG CA C 30 58.472 58.635 -0.163 1
1 264 . 5 1 1 A 30 30 ARG HA H 30 4.022 4.084 -0.062 1
1 265 . 5 1 1 A 30 30 ARG CB C 30 30.232 30.243 -0.011 1
1 274 . 5 1 1 A 30 30 ARG C C 30 178.403 178.299 0.104 1
1 275 . 5 1 1 A 31 31 HIS N N 31 119.659 120.326 -0.667 1
1 276 . 5 1 1 A 31 31 HIS H H 31 7.576 7.956 -0.380 1
1 277 . 5 1 1 A 31 31 HIS CA C 31 58.796 59.786 -0.990 1
1 278 . 5 1 1 A 31 31 HIS HA H 31 4.203 4.230 -0.027 1
1 279 . 5 1 1 A 31 31 HIS CB C 31 28.745 29.789 -1.044 1
1 286 . 5 1 1 A 31 31 HIS C C 31 175.860 177.140 -1.280 1
1 287 . 5 1 1 A 32 32 ARG N N 32 128.186 117.327 10.859 1
1 288 . 5 1 1 A 32 32 ARG H H 32 8.021 8.293 -0.272 1
1 289 . 5 1 1 A 32 32 ARG CA C 32 59.996 58.949 1.047 1
1 290 . 5 1 1 A 32 32 ARG HA H 32 3.735 3.900 -0.165 1
1 291 . 5 1 1 A 32 32 ARG CB C 32 30.005 29.828 0.177 1
1 300 . 5 1 1 A 32 32 ARG C C 32 178.010 179.570 -1.560 1
1 301 . 5 1 1 A 33 33 GLY N N 33 118.610 108.131 10.479 1
1 302 . 5 1 1 A 33 33 GLY H H 33 7.577 7.771 -0.194 1
1 303 . 5 1 1 A 33 33 GLY CA C 33 46.501 46.634 -0.133 1
1 304 . 5 1 1 A 33 33 GLY HA2 H 33 3.856 3.738 0.118 1
1 305 . 5 1 1 A 33 33 GLY HA3 H 33 3.976 3.749 0.227 1
1 306 . 5 1 1 A 33 33 GLY C C 33 175.874 175.970 -0.096 1
1 307 . 5 1 1 A 34 34 ILE N N 34 118.491 118.860 -0.369 1
1 308 . 5 1 1 A 34 34 ILE H H 34 7.804 8.044 -0.240 1
1 309 . 5 1 1 A 34 34 ILE CA C 34 62.728 64.291 -1.563 1
1 310 . 5 1 1 A 34 34 ILE HA H 34 4.012 3.707 0.305 1
1 311 . 5 1 1 A 34 34 ILE CB C 34 37.640 36.857 0.783 1
1 324 . 5 1 1 A 34 34 ILE C C 34 177.422 177.376 0.046 1
1 325 . 5 1 1 A 35 35 HIS N N 35 117.828 119.493 -1.665 1
1 326 . 5 1 1 A 35 35 HIS H H 35 7.323 7.331 -0.008 1
1 327 . 5 1 1 A 35 35 HIS CA C 35 55.311 57.878 -2.567 1
1 328 . 5 1 1 A 35 35 HIS HA H 35 4.861 4.442 0.419 1
1 329 . 5 1 1 A 35 35 HIS CB C 35 28.630 31.378 -2.748 1
1 336 . 5 1 1 A 35 35 HIS C C 35 175.768 175.221 0.547 1
1 337 . 5 1 1 A 36 36 THR N N 36 112.063 110.683 1.380 1
1 338 . 5 1 1 A 36 36 THR H H 36 7.784 7.419 0.365 1
1 339 . 5 1 1 A 36 36 THR CA C 36 62.436 60.390 2.046 1
1 340 . 5 1 1 A 36 36 THR HA H 36 4.330 4.603 -0.273 1
1 341 . 5 1 1 A 36 36 THR CB C 36 69.703 71.172 -1.469 1
1 347 . 5 1 1 A 36 36 THR C C 36 175.321 173.741 1.580 1
1 348 . 5 1 1 A 37 37 GLY N N 37 111.105 108.423 2.682 1
1 349 . 5 1 1 A 37 37 GLY H H 37 8.435 8.354 0.081 1
1 350 . 5 1 1 A 37 37 GLY CA C 37 45.313 45.620 -0.307 1
1 351 . 5 1 1 A 37 37 GLY HA2 H 37 3.969 4.193 -0.224 1
1 352 . 5 1 1 A 37 37 GLY HA3 H 37 3.969 4.196 -0.227 1
1 353 . 5 1 1 A 37 37 GLY C C 37 174.049 171.700 2.349 1
1 354 . 5 1 1 A 38 38 GLU N N 38 120.555 124.199 -3.644 1
1 355 . 5 1 1 A 38 38 GLU H H 38 8.211 8.734 -0.523 1
1 356 . 5 1 1 A 38 38 GLU CA C 38 56.448 55.342 1.106 1
1 357 . 5 1 1 A 38 38 GLU HA H 38 4.222 4.880 -0.658 1
1 358 . 5 1 1 A 38 38 GLU CB C 38 36.225 32.942 3.283 1
1 364 . 5 1 1 A 38 38 GLU C C 38 176.258 175.179 1.079 1
1 365 . 5 1 1 A 39 39 LYS N N 39 123.818 124.931 -1.113 1
1 366 . 5 1 1 A 39 39 LYS H H 39 8.392 8.428 -0.036 1
1 367 . 5 1 1 A 39 39 LYS CA C 39 54.059 55.385 -1.326 1
1 368 . 5 1 1 A 39 39 LYS HA H 39 4.580 4.273 0.307 1
1 369 . 5 1 1 A 39 39 LYS CB C 39 32.451 32.321 0.130 1
1 381 . 5 1 1 A 39 39 LYS C C 39 174.049 175.962 -1.913 1
1 382 . 5 1 1 A 40 40 PRO CA C 40 63.172 62.607 0.565 1
1 383 . 5 1 1 A 40 40 PRO HA H 40 4.444 4.646 -0.202 1
1 384 . 5 1 1 A 40 40 PRO CB C 40 32.143 31.543 0.600 1
1 393 . 5 1 1 A 40 40 PRO C C 40 177.021 176.158 0.863 1
1 394 . 5 1 1 A 41 41 SER N N 41 116.548 118.597 -2.049 1
1 395 . 5 1 1 A 41 41 SER H H 41 8.473 8.635 -0.162 1
1 396 . 5 1 1 A 41 41 SER CA C 41 58.308 57.739 0.569 1
1 397 . 5 1 1 A 41 41 SER HA H 41 4.455 4.755 -0.300 1
1 398 . 5 1 1 A 41 41 SER CB C 41 63.988 63.698 0.290 1
1 401 . 5 1 1 A 41 41 SER C C 41 177.006 173.881 3.125 1
1 402 . 5 1 1 A 42 42 GLY CA C 42 44.654 45.274 -0.620 1
1 403 . 5 1 1 A 42 42 GLY HA2 H 42 4.086 4.185 -0.099 1
1 404 . 5 1 1 A 42 42 GLY HA3 H 42 4.125 4.185 -0.060 1
1 405 . 5 1 1 A 43 43 PRO CA C 43 63.217 62.364 0.853 1
1 406 . 5 1 1 A 43 43 PRO HA H 43 4.445 4.769 -0.324 1
1 407 . 5 1 1 A 43 43 PRO CB C 43 32.196 29.628 2.568 1
1 416 . 5 1 1 A 45 45 SER CA C 45 58.418 59.217 -0.799 1
1 417 . 5 1 1 A 45 45 SER HA H 45 4.478 4.433 0.045 1
1 418 . 5 1 1 A 45 45 SER CB C 45 63.838 63.792 0.046 1
1 420 . 5 1 1 A 45 45 SER C C 45 173.908 174.633 -0.725 1
1 1 . 6 1 1 A 8 8 THR N N 8 112.857 120.458 -7.601 1
1 2 . 6 1 1 A 8 8 THR H H 8 8.147 8.462 -0.315 1
1 3 . 6 1 1 A 8 8 THR CA C 8 61.875 60.964 0.911 1
1 4 . 6 1 1 A 8 8 THR HA H 8 4.345 4.709 -0.364 1
1 5 . 6 1 1 A 8 8 THR CB C 8 70.012 71.521 -1.509 1
1 11 . 6 1 1 A 8 8 THR C C 8 175.287 173.908 1.379 1
1 12 . 6 1 1 A 9 9 GLY N N 9 110.887 112.785 -1.898 1
1 13 . 6 1 1 A 9 9 GLY H H 9 8.241 8.422 -0.181 1
1 14 . 6 1 1 A 9 9 GLY CA C 9 45.373 44.599 0.774 1
1 15 . 6 1 1 A 9 9 GLY HA2 H 9 4.009 4.158 -0.149 1
1 16 . 6 1 1 A 9 9 GLY HA3 H 9 3.917 4.161 -0.244 1
1 17 . 6 1 1 A 9 9 GLY C C 9 174.121 172.739 1.382 1
1 18 . 6 1 1 A 10 10 GLU N N 10 120.584 117.839 2.745 1
1 19 . 6 1 1 A 10 10 GLU H H 10 8.075 8.621 -0.546 1
1 20 . 6 1 1 A 10 10 GLU CA C 10 56.436 54.967 1.469 1
1 21 . 6 1 1 A 10 10 GLU HA H 10 4.224 4.964 -0.740 1
1 22 . 6 1 1 A 10 10 GLU CB C 10 30.465 32.808 -2.343 1
1 28 . 6 1 1 A 10 10 GLU C C 10 176.282 175.039 1.243 1
1 29 . 6 1 1 A 11 11 LYS N N 11 123.004 122.853 0.151 1
1 30 . 6 1 1 A 11 11 LYS H H 11 8.295 8.516 -0.221 1
1 31 . 6 1 1 A 11 11 LYS CA C 11 53.874 54.636 -0.762 1
1 32 . 6 1 1 A 11 11 LYS HA H 11 4.515 4.401 0.114 1
1 33 . 6 1 1 A 11 11 LYS CB C 11 32.609 31.828 0.781 1
1 45 . 6 1 1 A 11 11 LYS C C 11 174.534 176.577 -2.043 1
1 46 . 6 1 1 A 12 12 PRO CA C 12 62.928 64.298 -1.370 1
1 47 . 6 1 1 A 12 12 PRO HA H 12 4.296 4.536 -0.240 1
1 48 . 6 1 1 A 12 12 PRO CB C 12 32.274 31.876 0.398 1
1 57 . 6 1 1 A 12 12 PRO C C 12 176.489 176.025 0.464 1
1 58 . 6 1 1 A 13 13 TYR N N 13 119.870 118.093 1.777 1
1 59 . 6 1 1 A 13 13 TYR H H 13 8.106 8.104 0.002 1
1 60 . 6 1 1 A 13 13 TYR CA C 13 57.209 56.677 0.532 1
1 61 . 6 1 1 A 13 13 TYR HA H 13 4.588 4.785 -0.197 1
1 62 . 6 1 1 A 13 13 TYR CB C 13 38.107 36.891 1.216 1
1 73 . 6 1 1 A 13 13 TYR C C 13 174.089 174.910 -0.821 1
1 74 . 6 1 1 A 14 14 LYS N N 14 124.673 123.478 1.195 1
1 75 . 6 1 1 A 14 14 LYS H H 14 8.358 7.968 0.390 1
1 76 . 6 1 1 A 14 14 LYS CA C 14 54.730 54.995 -0.265 1
1 77 . 6 1 1 A 14 14 LYS HA H 14 5.077 5.324 -0.247 1
1 78 . 6 1 1 A 14 14 LYS CB C 14 36.068 34.636 1.432 1
1 90 . 6 1 1 A 14 14 LYS C C 14 175.181 176.454 -1.273 1
1 91 . 6 1 1 A 15 15 CYS N N 15 127.857 125.181 2.676 1
1 92 . 6 1 1 A 15 15 CYS H H 15 9.307 9.501 -0.194 1
1 93 . 6 1 1 A 15 15 CYS CA C 15 59.474 59.554 -0.080 1
1 94 . 6 1 1 A 15 15 CYS HA H 15 4.524 4.683 -0.159 1
1 95 . 6 1 1 A 15 15 CYS CB C 15 29.634 28.823 0.811 1
1 98 . 6 1 1 A 15 15 CYS C C 15 176.857 175.058 1.799 1
1 99 . 6 1 1 A 16 16 ASN CA C 16 55.608 54.610 0.998 1
1 100 . 6 1 1 A 16 16 ASN HA H 16 4.497 4.665 -0.168 1
1 101 . 6 1 1 A 16 16 ASN CB C 16 38.265 39.401 -1.136 1
1 107 . 6 1 1 A 16 16 ASN C C 16 175.434 177.329 -1.895 1
1 108 . 6 1 1 A 17 17 GLU N N 17 120.770 118.481 2.289 1
1 109 . 6 1 1 A 17 17 GLU H H 17 8.702 7.846 0.856 1
1 110 . 6 1 1 A 17 17 GLU CA C 17 58.818 58.920 -0.102 1
1 111 . 6 1 1 A 17 17 GLU HA H 17 4.184 3.938 0.246 1
1 112 . 6 1 1 A 17 17 GLU CB C 17 29.358 28.646 0.712 1
1 118 . 6 1 1 A 17 17 GLU C C 17 177.178 178.059 -0.881 1
1 119 . 6 1 1 A 18 18 CYS N N 18 127.684 114.889 12.795 1
1 120 . 6 1 1 A 18 18 CYS H H 18 7.913 7.297 0.616 1
1 121 . 6 1 1 A 18 18 CYS CA C 18 58.271 59.681 -1.410 1
1 122 . 6 1 1 A 18 18 CYS HA H 18 5.140 4.555 0.585 1
1 123 . 6 1 1 A 18 18 CYS CB C 18 32.384 29.616 2.768 1
1 126 . 6 1 1 A 18 18 CYS C C 18 176.250 175.300 0.950 1
1 127 . 6 1 1 A 19 19 GLY N N 19 113.588 110.232 3.356 1
1 128 . 6 1 1 A 19 19 GLY H H 19 8.163 8.098 0.065 1
1 129 . 6 1 1 A 19 19 GLY CA C 19 46.206 45.223 0.983 1
1 130 . 6 1 1 A 19 19 GLY HA2 H 19 4.213 4.063 0.150 1
1 131 . 6 1 1 A 19 19 GLY HA3 H 19 3.710 4.082 -0.372 1
1 132 . 6 1 1 A 19 19 GLY C C 19 173.538 174.486 -0.948 1
1 133 . 6 1 1 A 20 20 LYS N N 20 122.672 121.858 0.814 1
1 134 . 6 1 1 A 20 20 LYS H H 20 7.898 7.960 -0.062 1
1 135 . 6 1 1 A 20 20 LYS CA C 20 58.243 55.651 2.592 1
1 136 . 6 1 1 A 20 20 LYS HA H 20 3.956 4.356 -0.400 1
1 137 . 6 1 1 A 20 20 LYS CB C 20 33.796 33.631 0.165 1
1 149 . 6 1 1 A 20 20 LYS C C 20 174.305 175.324 -1.019 1
1 150 . 6 1 1 A 21 21 VAL N N 21 117.669 123.933 -6.264 1
1 151 . 6 1 1 A 21 21 VAL H H 21 7.616 7.852 -0.236 1
1 152 . 6 1 1 A 21 21 VAL CA C 21 60.531 60.669 -0.138 1
1 153 . 6 1 1 A 21 21 VAL HA H 21 4.729 4.968 -0.239 1
1 154 . 6 1 1 A 21 21 VAL CB C 21 33.937 34.928 -0.991 1
1 164 . 6 1 1 A 21 21 VAL C C 21 175.221 174.302 0.919 1
1 165 . 6 1 1 A 22 22 PHE N N 22 121.686 124.265 -2.579 1
1 166 . 6 1 1 A 22 22 PHE H H 22 8.732 8.595 0.137 1
1 167 . 6 1 1 A 22 22 PHE CA C 22 56.827 56.337 0.490 1
1 168 . 6 1 1 A 22 22 PHE HA H 22 4.874 5.094 -0.220 1
1 169 . 6 1 1 A 22 22 PHE CB C 22 43.461 43.869 -0.408 1
1 182 . 6 1 1 A 22 22 PHE C C 22 175.698 175.370 0.328 1
1 183 . 6 1 1 A 23 23 THR N N 23 111.308 116.197 -4.889 1
1 184 . 6 1 1 A 23 23 THR H H 23 9.483 8.956 0.527 1
1 185 . 6 1 1 A 23 23 THR CA C 23 63.243 63.182 0.061 1
1 186 . 6 1 1 A 23 23 THR HA H 23 4.536 4.323 0.213 1
1 187 . 6 1 1 A 23 23 THR CB C 23 69.668 70.863 -1.195 1
1 193 . 6 1 1 A 23 23 THR C C 23 174.904 173.503 1.401 1
1 194 . 6 1 1 A 24 24 GLN N N 24 128.363 120.052 8.311 1
1 195 . 6 1 1 A 24 24 GLN H H 24 7.069 7.829 -0.760 1
1 196 . 6 1 1 A 24 24 GLN CA C 24 54.007 53.624 0.383 1
1 197 . 6 1 1 A 24 24 GLN HA H 24 4.503 4.381 0.122 1
1 198 . 6 1 1 A 24 24 GLN CB C 24 31.943 31.167 0.776 1
1 207 . 6 1 1 A 24 24 GLN C C 24 175.897 176.006 -0.109 1
1 208 . 6 1 1 A 25 25 ASN CA C 25 56.162 57.435 -1.273 1
1 209 . 6 1 1 A 25 25 ASN HA H 25 3.578 4.457 -0.879 1
1 210 . 6 1 1 A 25 25 ASN CB C 25 38.265 38.978 -0.713 1
1 216 . 6 1 1 A 26 26 SER CA C 26 60.828 61.730 -0.902 1
1 217 . 6 1 1 A 26 26 SER HA H 26 4.010 4.071 -0.061 1
1 218 . 6 1 1 A 26 26 SER CB C 26 61.674 63.145 -1.471 1
1 221 . 6 1 1 A 26 26 SER C C 26 177.106 177.241 -0.135 1
1 222 . 6 1 1 A 27 27 HIS N N 27 121.567 118.080 3.487 1
1 223 . 6 1 1 A 27 27 HIS H H 27 6.745 7.660 -0.915 1
1 224 . 6 1 1 A 27 27 HIS CA C 27 57.025 59.491 -2.466 1
1 225 . 6 1 1 A 27 27 HIS HA H 27 4.387 4.350 0.037 1
1 226 . 6 1 1 A 27 27 HIS CB C 27 31.749 30.072 1.677 1
1 233 . 6 1 1 A 27 27 HIS C C 27 178.165 177.581 0.584 1
1 234 . 6 1 1 A 28 28 LEU N N 28 122.201 120.938 1.263 1
1 235 . 6 1 1 A 28 28 LEU H H 28 6.890 8.179 -1.289 1
1 236 . 6 1 1 A 28 28 LEU CA C 28 57.568 57.454 0.114 1
1 237 . 6 1 1 A 28 28 LEU HA H 28 3.133 2.607 0.526 1
1 238 . 6 1 1 A 28 28 LEU CB C 28 40.421 41.827 -1.406 1
1 251 . 6 1 1 A 28 28 LEU C C 28 177.398 177.978 -0.580 1
1 252 . 6 1 1 A 29 29 ALA N N 29 120.974 120.371 0.603 1
1 253 . 6 1 1 A 29 29 ALA H H 29 8.291 8.702 -0.411 1
1 254 . 6 1 1 A 29 29 ALA CA C 29 55.296 55.453 -0.157 1
1 255 . 6 1 1 A 29 29 ALA HA H 29 3.906 3.990 -0.084 1
1 256 . 6 1 1 A 29 29 ALA CB C 29 17.744 18.485 -0.741 1
1 260 . 6 1 1 A 29 29 ALA C C 29 180.489 179.668 0.821 1
1 261 . 6 1 1 A 30 30 ARG N N 30 116.427 117.084 -0.657 1
1 262 . 6 1 1 A 30 30 ARG H H 30 7.431 7.858 -0.427 1
1 263 . 6 1 1 A 30 30 ARG CA C 30 58.472 58.795 -0.323 1
1 264 . 6 1 1 A 30 30 ARG HA H 30 4.022 4.062 -0.040 1
1 265 . 6 1 1 A 30 30 ARG CB C 30 30.232 30.223 0.009 1
1 274 . 6 1 1 A 30 30 ARG C C 30 178.403 178.276 0.127 1
1 275 . 6 1 1 A 31 31 HIS N N 31 119.659 120.395 -0.736 1
1 276 . 6 1 1 A 31 31 HIS H H 31 7.576 7.839 -0.263 1
1 277 . 6 1 1 A 31 31 HIS CA C 31 58.796 59.896 -1.100 1
1 278 . 6 1 1 A 31 31 HIS HA H 31 4.203 4.208 -0.005 1
1 279 . 6 1 1 A 31 31 HIS CB C 31 28.745 29.711 -0.966 1
1 286 . 6 1 1 A 31 31 HIS C C 31 175.860 176.626 -0.766 1
1 287 . 6 1 1 A 32 32 ARG N N 32 128.186 117.268 10.918 1
1 288 . 6 1 1 A 32 32 ARG H H 32 8.021 8.232 -0.211 1
1 289 . 6 1 1 A 32 32 ARG CA C 32 59.996 58.941 1.055 1
1 290 . 6 1 1 A 32 32 ARG HA H 32 3.735 3.874 -0.139 1
1 291 . 6 1 1 A 32 32 ARG CB C 32 30.005 29.973 0.032 1
1 300 . 6 1 1 A 32 32 ARG C C 32 178.010 179.626 -1.616 1
1 301 . 6 1 1 A 33 33 GLY N N 33 118.610 108.305 10.305 1
1 302 . 6 1 1 A 33 33 GLY H H 33 7.577 8.142 -0.565 1
1 303 . 6 1 1 A 33 33 GLY CA C 33 46.501 47.257 -0.756 1
1 304 . 6 1 1 A 33 33 GLY HA2 H 33 3.856 3.604 0.252 1
1 305 . 6 1 1 A 33 33 GLY HA3 H 33 3.976 3.621 0.355 1
1 306 . 6 1 1 A 33 33 GLY C C 33 175.874 175.961 -0.087 1
1 307 . 6 1 1 A 34 34 ILE N N 34 118.491 119.956 -1.465 1
1 308 . 6 1 1 A 34 34 ILE H H 34 7.804 8.040 -0.236 1
1 309 . 6 1 1 A 34 34 ILE CA C 34 62.728 64.525 -1.797 1
1 310 . 6 1 1 A 34 34 ILE HA H 34 4.012 3.705 0.307 1
1 311 . 6 1 1 A 34 34 ILE CB C 34 37.640 37.259 0.381 1
1 324 . 6 1 1 A 34 34 ILE C C 34 177.422 177.480 -0.058 1
1 325 . 6 1 1 A 35 35 HIS N N 35 117.828 119.583 -1.755 1
1 326 . 6 1 1 A 35 35 HIS H H 35 7.323 7.293 0.030 1
1 327 . 6 1 1 A 35 35 HIS CA C 35 55.311 58.886 -3.575 1
1 328 . 6 1 1 A 35 35 HIS HA H 35 4.861 4.390 0.471 1
1 329 . 6 1 1 A 35 35 HIS CB C 35 28.630 31.213 -2.583 1
1 336 . 6 1 1 A 35 35 HIS C C 35 175.768 175.600 0.168 1
1 337 . 6 1 1 A 36 36 THR N N 36 112.063 110.562 1.501 1
1 338 . 6 1 1 A 36 36 THR H H 36 7.784 7.400 0.384 1
1 339 . 6 1 1 A 36 36 THR CA C 36 62.436 61.848 0.588 1
1 340 . 6 1 1 A 36 36 THR HA H 36 4.330 4.346 -0.016 1
1 341 . 6 1 1 A 36 36 THR CB C 36 69.703 69.487 0.216 1
1 347 . 6 1 1 A 36 36 THR C C 36 175.321 174.374 0.947 1
1 348 . 6 1 1 A 37 37 GLY N N 37 111.105 109.774 1.331 1
1 349 . 6 1 1 A 37 37 GLY H H 37 8.435 8.486 -0.051 1
1 350 . 6 1 1 A 37 37 GLY CA C 37 45.313 45.424 -0.111 1
1 351 . 6 1 1 A 37 37 GLY HA2 H 37 3.969 4.160 -0.191 1
1 352 . 6 1 1 A 37 37 GLY HA3 H 37 3.969 4.165 -0.196 1
1 353 . 6 1 1 A 37 37 GLY C C 37 174.049 172.203 1.846 1
1 354 . 6 1 1 A 38 38 GLU N N 38 120.555 123.196 -2.641 1
1 355 . 6 1 1 A 38 38 GLU H H 38 8.211 8.423 -0.212 1
1 356 . 6 1 1 A 38 38 GLU CA C 38 56.448 57.028 -0.580 1
1 357 . 6 1 1 A 38 38 GLU HA H 38 4.222 4.357 -0.135 1
1 358 . 6 1 1 A 38 38 GLU CB C 38 36.225 30.146 6.079 1
1 364 . 6 1 1 A 38 38 GLU C C 38 176.258 176.471 -0.213 1
1 365 . 6 1 1 A 39 39 LYS N N 39 123.818 121.569 2.249 1
1 366 . 6 1 1 A 39 39 LYS H H 39 8.392 8.556 -0.164 1
1 367 . 6 1 1 A 39 39 LYS CA C 39 54.059 53.789 0.270 1
1 368 . 6 1 1 A 39 39 LYS HA H 39 4.580 4.850 -0.270 1
1 369 . 6 1 1 A 39 39 LYS CB C 39 32.451 34.057 -1.606 1
1 381 . 6 1 1 A 39 39 LYS C C 39 174.049 174.845 -0.796 1
1 382 . 6 1 1 A 40 40 PRO CA C 40 63.172 62.199 0.973 1
1 383 . 6 1 1 A 40 40 PRO HA H 40 4.444 4.525 -0.081 1
1 384 . 6 1 1 A 40 40 PRO CB C 40 32.143 32.873 -0.730 1
1 393 . 6 1 1 A 40 40 PRO C C 40 177.021 177.628 -0.607 1
1 394 . 6 1 1 A 41 41 SER N N 41 116.548 118.204 -1.656 1
1 395 . 6 1 1 A 41 41 SER H H 41 8.473 8.855 -0.382 1
1 396 . 6 1 1 A 41 41 SER CA C 41 58.308 61.675 -3.367 1
1 397 . 6 1 1 A 41 41 SER HA H 41 4.455 4.127 0.328 1
1 398 . 6 1 1 A 41 41 SER CB C 41 63.988 63.231 0.757 1
1 401 . 6 1 1 A 41 41 SER C C 41 177.006 174.721 2.285 1
1 402 . 6 1 1 A 42 42 GLY CA C 42 44.654 46.939 -2.285 1
1 403 . 6 1 1 A 42 42 GLY HA2 H 42 4.086 3.900 0.186 1
1 404 . 6 1 1 A 42 42 GLY HA3 H 42 4.125 3.901 0.224 1
1 405 . 6 1 1 A 43 43 PRO CA C 43 63.217 65.080 -1.863 1
1 406 . 6 1 1 A 43 43 PRO HA H 43 4.445 4.340 0.105 1
1 407 . 6 1 1 A 43 43 PRO CB C 43 32.196 31.711 0.485 1
1 416 . 6 1 1 A 45 45 SER CA C 45 58.418 61.180 -2.762 1
1 417 . 6 1 1 A 45 45 SER HA H 45 4.478 4.227 0.251 1
1 418 . 6 1 1 A 45 45 SER CB C 45 63.838 63.454 0.384 1
1 420 . 6 1 1 A 45 45 SER C C 45 173.908 174.789 -0.881 1
1 1 . 7 1 1 A 8 8 THR N N 8 112.857 115.362 -2.505 1
1 2 . 7 1 1 A 8 8 THR H H 8 8.147 8.469 -0.322 1
1 3 . 7 1 1 A 8 8 THR CA C 8 61.875 62.919 -1.044 1
1 4 . 7 1 1 A 8 8 THR HA H 8 4.345 4.240 0.105 1
1 5 . 7 1 1 A 8 8 THR CB C 8 70.012 69.337 0.675 1
1 11 . 7 1 1 A 8 8 THR C C 8 175.287 175.756 -0.469 1
1 12 . 7 1 1 A 9 9 GLY N N 9 110.887 112.171 -1.284 1
1 13 . 7 1 1 A 9 9 GLY H H 9 8.241 8.481 -0.240 1
1 14 . 7 1 1 A 9 9 GLY CA C 9 45.373 44.487 0.886 1
1 15 . 7 1 1 A 9 9 GLY HA2 H 9 4.009 4.017 -0.008 1
1 16 . 7 1 1 A 9 9 GLY HA3 H 9 3.917 4.021 -0.104 1
1 17 . 7 1 1 A 9 9 GLY C C 9 174.121 172.510 1.611 1
1 18 . 7 1 1 A 10 10 GLU N N 10 120.584 120.630 -0.046 1
1 19 . 7 1 1 A 10 10 GLU H H 10 8.075 8.432 -0.357 1
1 20 . 7 1 1 A 10 10 GLU CA C 10 56.436 55.999 0.437 1
1 21 . 7 1 1 A 10 10 GLU HA H 10 4.224 4.593 -0.369 1
1 22 . 7 1 1 A 10 10 GLU CB C 10 30.465 30.947 -0.482 1
1 28 . 7 1 1 A 10 10 GLU C C 10 176.282 175.744 0.538 1
1 29 . 7 1 1 A 11 11 LYS N N 11 123.004 125.001 -1.997 1
1 30 . 7 1 1 A 11 11 LYS H H 11 8.295 8.479 -0.184 1
1 31 . 7 1 1 A 11 11 LYS CA C 11 53.874 53.078 0.796 1
1 32 . 7 1 1 A 11 11 LYS HA H 11 4.515 4.837 -0.322 1
1 33 . 7 1 1 A 11 11 LYS CB C 11 32.609 33.722 -1.113 1
1 45 . 7 1 1 A 11 11 LYS C C 11 174.534 176.406 -1.872 1
1 46 . 7 1 1 A 12 12 PRO CA C 12 62.928 64.140 -1.212 1
1 47 . 7 1 1 A 12 12 PRO HA H 12 4.296 4.460 -0.164 1
1 48 . 7 1 1 A 12 12 PRO CB C 12 32.274 31.588 0.686 1
1 57 . 7 1 1 A 12 12 PRO C C 12 176.489 176.016 0.473 1
1 58 . 7 1 1 A 13 13 TYR N N 13 119.870 117.607 2.263 1
1 59 . 7 1 1 A 13 13 TYR H H 13 8.106 8.158 -0.052 1
1 60 . 7 1 1 A 13 13 TYR CA C 13 57.209 57.162 0.047 1
1 61 . 7 1 1 A 13 13 TYR HA H 13 4.588 4.896 -0.308 1
1 62 . 7 1 1 A 13 13 TYR CB C 13 38.107 37.675 0.432 1
1 73 . 7 1 1 A 13 13 TYR C C 13 174.089 175.365 -1.276 1
1 74 . 7 1 1 A 14 14 LYS N N 14 124.673 121.569 3.104 1
1 75 . 7 1 1 A 14 14 LYS H H 14 8.358 7.681 0.677 1
1 76 . 7 1 1 A 14 14 LYS CA C 14 54.730 55.021 -0.291 1
1 77 . 7 1 1 A 14 14 LYS HA H 14 5.077 5.062 0.015 1
1 78 . 7 1 1 A 14 14 LYS CB C 14 36.068 34.175 1.893 1
1 90 . 7 1 1 A 14 14 LYS C C 14 175.181 176.566 -1.385 1
1 91 . 7 1 1 A 15 15 CYS N N 15 127.857 125.298 2.559 1
1 92 . 7 1 1 A 15 15 CYS H H 15 9.307 8.562 0.745 1
1 93 . 7 1 1 A 15 15 CYS CA C 15 59.474 59.483 -0.009 1
1 94 . 7 1 1 A 15 15 CYS HA H 15 4.524 4.695 -0.171 1
1 95 . 7 1 1 A 15 15 CYS CB C 15 29.634 28.774 0.860 1
1 98 . 7 1 1 A 15 15 CYS C C 15 176.857 174.445 2.412 1
1 99 . 7 1 1 A 16 16 ASN CA C 16 55.608 54.393 1.215 1
1 100 . 7 1 1 A 16 16 ASN HA H 16 4.497 4.759 -0.262 1
1 101 . 7 1 1 A 16 16 ASN CB C 16 38.265 39.838 -1.573 1
1 107 . 7 1 1 A 16 16 ASN C C 16 175.434 177.270 -1.836 1
1 108 . 7 1 1 A 17 17 GLU N N 17 120.770 118.621 2.149 1
1 109 . 7 1 1 A 17 17 GLU H H 17 8.702 7.781 0.921 1
1 110 . 7 1 1 A 17 17 GLU CA C 17 58.818 58.760 0.058 1
1 111 . 7 1 1 A 17 17 GLU HA H 17 4.184 3.903 0.281 1
1 112 . 7 1 1 A 17 17 GLU CB C 17 29.358 28.387 0.971 1
1 118 . 7 1 1 A 17 17 GLU C C 17 177.178 178.070 -0.892 1
1 119 . 7 1 1 A 18 18 CYS N N 18 127.684 114.846 12.838 1
1 120 . 7 1 1 A 18 18 CYS H H 18 7.913 7.397 0.516 1
1 121 . 7 1 1 A 18 18 CYS CA C 18 58.271 59.691 -1.420 1
1 122 . 7 1 1 A 18 18 CYS HA H 18 5.140 4.599 0.541 1
1 123 . 7 1 1 A 18 18 CYS CB C 18 32.384 29.797 2.587 1
1 126 . 7 1 1 A 18 18 CYS C C 18 176.250 175.332 0.918 1
1 127 . 7 1 1 A 19 19 GLY N N 19 113.588 110.392 3.196 1
1 128 . 7 1 1 A 19 19 GLY H H 19 8.163 8.130 0.033 1
1 129 . 7 1 1 A 19 19 GLY CA C 19 46.206 45.241 0.965 1
1 130 . 7 1 1 A 19 19 GLY HA2 H 19 4.213 4.048 0.165 1
1 131 . 7 1 1 A 19 19 GLY HA3 H 19 3.710 4.063 -0.353 1
1 132 . 7 1 1 A 19 19 GLY C C 19 173.538 174.536 -0.998 1
1 133 . 7 1 1 A 20 20 LYS N N 20 122.672 119.779 2.893 1
1 134 . 7 1 1 A 20 20 LYS H H 20 7.898 7.347 0.551 1
1 135 . 7 1 1 A 20 20 LYS CA C 20 58.243 55.837 2.406 1
1 136 . 7 1 1 A 20 20 LYS HA H 20 3.956 4.409 -0.453 1
1 137 . 7 1 1 A 20 20 LYS CB C 20 33.796 34.199 -0.403 1
1 149 . 7 1 1 A 20 20 LYS C C 20 174.305 175.067 -0.762 1
1 150 . 7 1 1 A 21 21 VAL N N 21 117.669 119.133 -1.464 1
1 151 . 7 1 1 A 21 21 VAL H H 21 7.616 7.908 -0.292 1
1 152 . 7 1 1 A 21 21 VAL CA C 21 60.531 60.299 0.232 1
1 153 . 7 1 1 A 21 21 VAL HA H 21 4.729 4.693 0.036 1
1 154 . 7 1 1 A 21 21 VAL CB C 21 33.937 35.961 -2.024 1
1 164 . 7 1 1 A 21 21 VAL C C 21 175.221 173.879 1.342 1
1 165 . 7 1 1 A 22 22 PHE N N 22 121.686 124.329 -2.643 1
1 166 . 7 1 1 A 22 22 PHE H H 22 8.732 8.885 -0.153 1
1 167 . 7 1 1 A 22 22 PHE CA C 22 56.827 56.267 0.560 1
1 168 . 7 1 1 A 22 22 PHE HA H 22 4.874 5.085 -0.211 1
1 169 . 7 1 1 A 22 22 PHE CB C 22 43.461 43.933 -0.472 1
1 182 . 7 1 1 A 22 22 PHE C C 22 175.698 175.322 0.376 1
1 183 . 7 1 1 A 23 23 THR N N 23 111.308 116.403 -5.095 1
1 184 . 7 1 1 A 23 23 THR H H 23 9.483 8.954 0.529 1
1 185 . 7 1 1 A 23 23 THR CA C 23 63.243 62.809 0.434 1
1 186 . 7 1 1 A 23 23 THR HA H 23 4.536 4.269 0.267 1
1 187 . 7 1 1 A 23 23 THR CB C 23 69.668 70.900 -1.232 1
1 193 . 7 1 1 A 23 23 THR C C 23 174.904 173.465 1.439 1
1 194 . 7 1 1 A 24 24 GLN N N 24 128.363 120.218 8.145 1
1 195 . 7 1 1 A 24 24 GLN H H 24 7.069 7.716 -0.647 1
1 196 . 7 1 1 A 24 24 GLN CA C 24 54.007 53.628 0.379 1
1 197 . 7 1 1 A 24 24 GLN HA H 24 4.503 4.250 0.253 1
1 198 . 7 1 1 A 24 24 GLN CB C 24 31.943 31.093 0.850 1
1 207 . 7 1 1 A 24 24 GLN C C 24 175.897 176.399 -0.502 1
1 208 . 7 1 1 A 25 25 ASN CA C 25 56.162 56.505 -0.343 1
1 209 . 7 1 1 A 25 25 ASN HA H 25 3.578 4.668 -1.090 1
1 210 . 7 1 1 A 25 25 ASN CB C 25 38.265 37.925 0.340 1
1 216 . 7 1 1 A 26 26 SER CA C 26 60.828 61.802 -0.974 1
1 217 . 7 1 1 A 26 26 SER HA H 26 4.010 4.085 -0.075 1
1 218 . 7 1 1 A 26 26 SER CB C 26 61.674 63.057 -1.383 1
1 221 . 7 1 1 A 26 26 SER C C 26 177.106 177.036 0.070 1
1 222 . 7 1 1 A 27 27 HIS N N 27 121.567 119.120 2.447 1
1 223 . 7 1 1 A 27 27 HIS H H 27 6.745 7.981 -1.236 1
1 224 . 7 1 1 A 27 27 HIS CA C 27 57.025 58.603 -1.578 1
1 225 . 7 1 1 A 27 27 HIS HA H 27 4.387 4.295 0.092 1
1 226 . 7 1 1 A 27 27 HIS CB C 27 31.749 29.373 2.376 1
1 233 . 7 1 1 A 27 27 HIS C C 27 178.165 177.273 0.892 1
1 234 . 7 1 1 A 28 28 LEU N N 28 122.201 120.513 1.688 1
1 235 . 7 1 1 A 28 28 LEU H H 28 6.890 8.127 -1.237 1
1 236 . 7 1 1 A 28 28 LEU CA C 28 57.568 57.688 -0.120 1
1 237 . 7 1 1 A 28 28 LEU HA H 28 3.133 3.157 -0.024 1
1 238 . 7 1 1 A 28 28 LEU CB C 28 40.421 42.081 -1.660 1
1 251 . 7 1 1 A 28 28 LEU C C 28 177.398 178.107 -0.709 1
1 252 . 7 1 1 A 29 29 ALA N N 29 120.974 120.400 0.574 1
1 253 . 7 1 1 A 29 29 ALA H H 29 8.291 8.576 -0.285 1
1 254 . 7 1 1 A 29 29 ALA CA C 29 55.296 55.612 -0.316 1
1 255 . 7 1 1 A 29 29 ALA HA H 29 3.906 4.017 -0.111 1
1 256 . 7 1 1 A 29 29 ALA CB C 29 17.744 18.515 -0.771 1
1 260 . 7 1 1 A 29 29 ALA C C 29 180.489 179.661 0.828 1
1 261 . 7 1 1 A 30 30 ARG N N 30 116.427 116.756 -0.329 1
1 262 . 7 1 1 A 30 30 ARG H H 30 7.431 8.259 -0.828 1
1 263 . 7 1 1 A 30 30 ARG CA C 30 58.472 59.037 -0.565 1
1 264 . 7 1 1 A 30 30 ARG HA H 30 4.022 4.060 -0.038 1
1 265 . 7 1 1 A 30 30 ARG CB C 30 30.232 29.889 0.343 1
1 274 . 7 1 1 A 30 30 ARG C C 30 178.403 178.410 -0.007 1
1 275 . 7 1 1 A 31 31 HIS N N 31 119.659 120.379 -0.720 1
1 276 . 7 1 1 A 31 31 HIS H H 31 7.576 8.079 -0.503 1
1 277 . 7 1 1 A 31 31 HIS CA C 31 58.796 59.925 -1.129 1
1 278 . 7 1 1 A 31 31 HIS HA H 31 4.203 4.197 0.006 1
1 279 . 7 1 1 A 31 31 HIS CB C 31 28.745 29.680 -0.935 1
1 286 . 7 1 1 A 31 31 HIS C C 31 175.860 176.724 -0.864 1
1 287 . 7 1 1 A 32 32 ARG N N 32 128.186 116.915 11.271 1
1 288 . 7 1 1 A 32 32 ARG H H 32 8.021 8.230 -0.209 1
1 289 . 7 1 1 A 32 32 ARG CA C 32 59.996 58.868 1.128 1
1 290 . 7 1 1 A 32 32 ARG HA H 32 3.735 3.859 -0.124 1
1 291 . 7 1 1 A 32 32 ARG CB C 32 30.005 29.825 0.180 1
1 300 . 7 1 1 A 32 32 ARG C C 32 178.010 179.724 -1.714 1
1 301 . 7 1 1 A 33 33 GLY N N 33 118.610 108.383 10.227 1
1 302 . 7 1 1 A 33 33 GLY H H 33 7.577 8.148 -0.571 1
1 303 . 7 1 1 A 33 33 GLY CA C 33 46.501 47.270 -0.769 1
1 304 . 7 1 1 A 33 33 GLY HA2 H 33 3.856 3.622 0.234 1
1 305 . 7 1 1 A 33 33 GLY HA3 H 33 3.976 3.638 0.338 1
1 306 . 7 1 1 A 33 33 GLY C C 33 175.874 176.134 -0.260 1
1 307 . 7 1 1 A 34 34 ILE N N 34 118.491 119.709 -1.218 1
1 308 . 7 1 1 A 34 34 ILE H H 34 7.804 8.094 -0.290 1
1 309 . 7 1 1 A 34 34 ILE CA C 34 62.728 64.506 -1.778 1
1 310 . 7 1 1 A 34 34 ILE HA H 34 4.012 3.709 0.303 1
1 311 . 7 1 1 A 34 34 ILE CB C 34 37.640 37.073 0.567 1
1 324 . 7 1 1 A 34 34 ILE C C 34 177.422 177.626 -0.204 1
1 325 . 7 1 1 A 35 35 HIS N N 35 117.828 119.354 -1.526 1
1 326 . 7 1 1 A 35 35 HIS H H 35 7.323 7.420 -0.097 1
1 327 . 7 1 1 A 35 35 HIS CA C 35 55.311 58.805 -3.494 1
1 328 . 7 1 1 A 35 35 HIS HA H 35 4.861 4.404 0.457 1
1 329 . 7 1 1 A 35 35 HIS CB C 35 28.630 31.165 -2.535 1
1 336 . 7 1 1 A 35 35 HIS C C 35 175.768 175.553 0.215 1
1 337 . 7 1 1 A 36 36 THR N N 36 112.063 110.692 1.371 1
1 338 . 7 1 1 A 36 36 THR H H 36 7.784 7.531 0.253 1
1 339 . 7 1 1 A 36 36 THR CA C 36 62.436 62.083 0.353 1
1 340 . 7 1 1 A 36 36 THR HA H 36 4.330 4.285 0.045 1
1 341 . 7 1 1 A 36 36 THR CB C 36 69.703 69.443 0.260 1
1 347 . 7 1 1 A 36 36 THR C C 36 175.321 174.255 1.066 1
1 348 . 7 1 1 A 37 37 GLY N N 37 111.105 110.009 1.096 1
1 349 . 7 1 1 A 37 37 GLY H H 37 8.435 8.292 0.143 1
1 350 . 7 1 1 A 37 37 GLY CA C 37 45.313 46.161 -0.848 1
1 351 . 7 1 1 A 37 37 GLY HA2 H 37 3.969 4.126 -0.157 1
1 352 . 7 1 1 A 37 37 GLY HA3 H 37 3.969 4.127 -0.158 1
1 353 . 7 1 1 A 37 37 GLY C C 37 174.049 174.052 -0.003 1
1 354 . 7 1 1 A 38 38 GLU N N 38 120.555 121.426 -0.871 1
1 355 . 7 1 1 A 38 38 GLU H H 38 8.211 8.096 0.115 1
1 356 . 7 1 1 A 38 38 GLU CA C 38 56.448 56.504 -0.056 1
1 357 . 7 1 1 A 38 38 GLU HA H 38 4.222 4.320 -0.098 1
1 358 . 7 1 1 A 38 38 GLU CB C 38 36.225 29.991 6.234 1
1 364 . 7 1 1 A 38 38 GLU C C 38 176.258 175.432 0.826 1
1 365 . 7 1 1 A 39 39 LYS N N 39 123.818 125.962 -2.144 1
1 366 . 7 1 1 A 39 39 LYS H H 39 8.392 8.625 -0.233 1
1 367 . 7 1 1 A 39 39 LYS CA C 39 54.059 52.848 1.211 1
1 368 . 7 1 1 A 39 39 LYS HA H 39 4.580 4.783 -0.203 1
1 369 . 7 1 1 A 39 39 LYS CB C 39 32.451 33.738 -1.287 1
1 381 . 7 1 1 A 39 39 LYS C C 39 174.049 176.277 -2.228 1
1 382 . 7 1 1 A 40 40 PRO CA C 40 63.172 64.981 -1.809 1
1 383 . 7 1 1 A 40 40 PRO HA H 40 4.444 4.430 0.014 1
1 384 . 7 1 1 A 40 40 PRO CB C 40 32.143 32.162 -0.019 1
1 393 . 7 1 1 A 40 40 PRO C C 40 177.021 177.270 -0.249 1
1 394 . 7 1 1 A 41 41 SER N N 41 116.548 112.308 4.240 1
1 395 . 7 1 1 A 41 41 SER H H 41 8.473 7.910 0.563 1
1 396 . 7 1 1 A 41 41 SER CA C 41 58.308 57.227 1.081 1
1 397 . 7 1 1 A 41 41 SER HA H 41 4.455 4.553 -0.098 1
1 398 . 7 1 1 A 41 41 SER CB C 41 63.988 62.733 1.255 1
1 401 . 7 1 1 A 41 41 SER C C 41 177.006 173.793 3.213 1
1 402 . 7 1 1 A 42 42 GLY CA C 42 44.654 44.636 0.018 1
1 403 . 7 1 1 A 42 42 GLY HA2 H 42 4.086 4.210 -0.124 1
1 404 . 7 1 1 A 42 42 GLY HA3 H 42 4.125 4.210 -0.085 1
1 405 . 7 1 1 A 43 43 PRO CA C 43 63.217 65.016 -1.799 1
1 406 . 7 1 1 A 43 43 PRO HA H 43 4.445 4.315 0.130 1
1 407 . 7 1 1 A 43 43 PRO CB C 43 32.196 32.107 0.089 1
1 416 . 7 1 1 A 45 45 SER CA C 45 58.418 59.331 -0.913 1
1 417 . 7 1 1 A 45 45 SER HA H 45 4.478 4.114 0.364 1
1 418 . 7 1 1 A 45 45 SER CB C 45 63.838 62.170 1.668 1
1 420 . 7 1 1 A 45 45 SER C C 45 173.908 173.749 0.159 1
1 1 . 8 1 1 A 8 8 THR N N 8 112.857 110.300 2.557 1
1 2 . 8 1 1 A 8 8 THR H H 8 8.147 8.365 -0.218 1
1 3 . 8 1 1 A 8 8 THR CA C 8 61.875 59.806 2.069 1
1 4 . 8 1 1 A 8 8 THR HA H 8 4.345 4.931 -0.586 1
1 5 . 8 1 1 A 8 8 THR CB C 8 70.012 71.185 -1.173 1
1 11 . 8 1 1 A 8 8 THR C C 8 175.287 174.514 0.773 1
1 12 . 8 1 1 A 9 9 GLY N N 9 110.887 111.668 -0.781 1
1 13 . 8 1 1 A 9 9 GLY H H 9 8.241 8.624 -0.383 1
1 14 . 8 1 1 A 9 9 GLY CA C 9 45.373 45.828 -0.455 1
1 15 . 8 1 1 A 9 9 GLY HA2 H 9 4.009 4.037 -0.028 1
1 16 . 8 1 1 A 9 9 GLY HA3 H 9 3.917 4.041 -0.124 1
1 17 . 8 1 1 A 9 9 GLY C C 9 174.121 174.186 -0.065 1
1 18 . 8 1 1 A 10 10 GLU N N 10 120.584 122.752 -2.168 1
1 19 . 8 1 1 A 10 10 GLU H H 10 8.075 8.438 -0.363 1
1 20 . 8 1 1 A 10 10 GLU CA C 10 56.436 55.053 1.383 1
1 21 . 8 1 1 A 10 10 GLU HA H 10 4.224 4.761 -0.537 1
1 22 . 8 1 1 A 10 10 GLU CB C 10 30.465 31.831 -1.366 1
1 28 . 8 1 1 A 10 10 GLU C C 10 176.282 175.660 0.622 1
1 29 . 8 1 1 A 11 11 LYS N N 11 123.004 121.460 1.544 1
1 30 . 8 1 1 A 11 11 LYS H H 11 8.295 8.470 -0.175 1
1 31 . 8 1 1 A 11 11 LYS CA C 11 53.874 52.841 1.033 1
1 32 . 8 1 1 A 11 11 LYS HA H 11 4.515 4.896 -0.381 1
1 33 . 8 1 1 A 11 11 LYS CB C 11 32.609 34.331 -1.722 1
1 45 . 8 1 1 A 11 11 LYS C C 11 174.534 176.222 -1.688 1
1 46 . 8 1 1 A 12 12 PRO CA C 12 62.928 64.148 -1.220 1
1 47 . 8 1 1 A 12 12 PRO HA H 12 4.296 4.473 -0.177 1
1 48 . 8 1 1 A 12 12 PRO CB C 12 32.274 31.508 0.766 1
1 57 . 8 1 1 A 12 12 PRO C C 12 176.489 175.952 0.537 1
1 58 . 8 1 1 A 13 13 TYR N N 13 119.870 118.002 1.868 1
1 59 . 8 1 1 A 13 13 TYR H H 13 8.106 8.149 -0.043 1
1 60 . 8 1 1 A 13 13 TYR CA C 13 57.209 57.074 0.135 1
1 61 . 8 1 1 A 13 13 TYR HA H 13 4.588 4.855 -0.267 1
1 62 . 8 1 1 A 13 13 TYR CB C 13 38.107 36.956 1.151 1
1 73 . 8 1 1 A 13 13 TYR C C 13 174.089 175.161 -1.072 1
1 74 . 8 1 1 A 14 14 LYS N N 14 124.673 122.271 2.402 1
1 75 . 8 1 1 A 14 14 LYS H H 14 8.358 7.718 0.640 1
1 76 . 8 1 1 A 14 14 LYS CA C 14 54.730 55.036 -0.306 1
1 77 . 8 1 1 A 14 14 LYS HA H 14 5.077 5.276 -0.199 1
1 78 . 8 1 1 A 14 14 LYS CB C 14 36.068 34.576 1.492 1
1 90 . 8 1 1 A 14 14 LYS C C 14 175.181 176.491 -1.310 1
1 91 . 8 1 1 A 15 15 CYS N N 15 127.857 125.349 2.508 1
1 92 . 8 1 1 A 15 15 CYS H H 15 9.307 9.290 0.017 1
1 93 . 8 1 1 A 15 15 CYS CA C 15 59.474 59.988 -0.514 1
1 94 . 8 1 1 A 15 15 CYS HA H 15 4.524 4.627 -0.103 1
1 95 . 8 1 1 A 15 15 CYS CB C 15 29.634 28.239 1.395 1
1 98 . 8 1 1 A 15 15 CYS C C 15 176.857 174.965 1.892 1
1 99 . 8 1 1 A 16 16 ASN CA C 16 55.608 54.117 1.491 1
1 100 . 8 1 1 A 16 16 ASN HA H 16 4.497 4.732 -0.235 1
1 101 . 8 1 1 A 16 16 ASN CB C 16 38.265 39.230 -0.965 1
1 107 . 8 1 1 A 16 16 ASN C C 16 175.434 177.137 -1.703 1
1 108 . 8 1 1 A 17 17 GLU N N 17 120.770 120.853 -0.083 1
1 109 . 8 1 1 A 17 17 GLU H H 17 8.702 7.765 0.937 1
1 110 . 8 1 1 A 17 17 GLU CA C 17 58.818 58.670 0.148 1
1 111 . 8 1 1 A 17 17 GLU HA H 17 4.184 3.877 0.307 1
1 112 . 8 1 1 A 17 17 GLU CB C 17 29.358 28.633 0.725 1
1 118 . 8 1 1 A 17 17 GLU C C 17 177.178 178.003 -0.825 1
1 119 . 8 1 1 A 18 18 CYS N N 18 127.684 114.967 12.717 1
1 120 . 8 1 1 A 18 18 CYS H H 18 7.913 7.907 0.006 1
1 121 . 8 1 1 A 18 18 CYS CA C 18 58.271 59.756 -1.485 1
1 122 . 8 1 1 A 18 18 CYS HA H 18 5.140 4.672 0.468 1
1 123 . 8 1 1 A 18 18 CYS CB C 18 32.384 29.960 2.424 1
1 126 . 8 1 1 A 18 18 CYS C C 18 176.250 175.519 0.731 1
1 127 . 8 1 1 A 19 19 GLY N N 19 113.588 110.132 3.456 1
1 128 . 8 1 1 A 19 19 GLY H H 19 8.163 8.057 0.106 1
1 129 . 8 1 1 A 19 19 GLY CA C 19 46.206 45.173 1.033 1
1 130 . 8 1 1 A 19 19 GLY HA2 H 19 4.213 4.081 0.132 1
1 131 . 8 1 1 A 19 19 GLY HA3 H 19 3.710 4.095 -0.385 1
1 132 . 8 1 1 A 19 19 GLY C C 19 173.538 174.574 -1.036 1
1 133 . 8 1 1 A 20 20 LYS N N 20 122.672 121.724 0.948 1
1 134 . 8 1 1 A 20 20 LYS H H 20 7.898 8.015 -0.117 1
1 135 . 8 1 1 A 20 20 LYS CA C 20 58.243 55.722 2.521 1
1 136 . 8 1 1 A 20 20 LYS HA H 20 3.956 4.336 -0.380 1
1 137 . 8 1 1 A 20 20 LYS CB C 20 33.796 33.789 0.007 1
1 149 . 8 1 1 A 20 20 LYS C C 20 174.305 175.475 -1.170 1
1 150 . 8 1 1 A 21 21 VAL N N 21 117.669 123.101 -5.432 1
1 151 . 8 1 1 A 21 21 VAL H H 21 7.616 7.979 -0.363 1
1 152 . 8 1 1 A 21 21 VAL CA C 21 60.531 60.067 0.464 1
1 153 . 8 1 1 A 21 21 VAL HA H 21 4.729 4.906 -0.177 1
1 154 . 8 1 1 A 21 21 VAL CB C 21 33.937 35.624 -1.687 1
1 164 . 8 1 1 A 21 21 VAL C C 21 175.221 174.040 1.181 1
1 165 . 8 1 1 A 22 22 PHE N N 22 121.686 123.794 -2.108 1
1 166 . 8 1 1 A 22 22 PHE H H 22 8.732 8.827 -0.095 1
1 167 . 8 1 1 A 22 22 PHE CA C 22 56.827 56.417 0.410 1
1 168 . 8 1 1 A 22 22 PHE HA H 22 4.874 4.977 -0.103 1
1 169 . 8 1 1 A 22 22 PHE CB C 22 43.461 43.870 -0.409 1
1 182 . 8 1 1 A 22 22 PHE C C 22 175.698 175.320 0.378 1
1 183 . 8 1 1 A 23 23 THR N N 23 111.308 114.762 -3.454 1
1 184 . 8 1 1 A 23 23 THR H H 23 9.483 8.742 0.741 1
1 185 . 8 1 1 A 23 23 THR CA C 23 63.243 63.500 -0.257 1
1 186 . 8 1 1 A 23 23 THR HA H 23 4.536 4.289 0.247 1
1 187 . 8 1 1 A 23 23 THR CB C 23 69.668 69.781 -0.113 1
1 193 . 8 1 1 A 23 23 THR C C 23 174.904 174.285 0.619 1
1 194 . 8 1 1 A 24 24 GLN N N 24 128.363 119.789 8.574 1
1 195 . 8 1 1 A 24 24 GLN H H 24 7.069 7.839 -0.770 1
1 196 . 8 1 1 A 24 24 GLN CA C 24 54.007 54.178 -0.171 1
1 197 . 8 1 1 A 24 24 GLN HA H 24 4.503 4.188 0.315 1
1 198 . 8 1 1 A 24 24 GLN CB C 24 31.943 30.632 1.311 1
1 207 . 8 1 1 A 24 24 GLN C C 24 175.897 175.720 0.177 1
1 208 . 8 1 1 A 25 25 ASN CA C 25 56.162 57.287 -1.125 1
1 209 . 8 1 1 A 25 25 ASN HA H 25 3.578 4.487 -0.909 1
1 210 . 8 1 1 A 25 25 ASN CB C 25 38.265 38.918 -0.653 1
1 216 . 8 1 1 A 26 26 SER CA C 26 60.828 61.452 -0.624 1
1 217 . 8 1 1 A 26 26 SER HA H 26 4.010 4.160 -0.150 1
1 218 . 8 1 1 A 26 26 SER CB C 26 61.674 62.545 -0.871 1
1 221 . 8 1 1 A 26 26 SER C C 26 177.106 177.182 -0.076 1
1 222 . 8 1 1 A 27 27 HIS N N 27 121.567 118.698 2.869 1
1 223 . 8 1 1 A 27 27 HIS H H 27 6.745 7.913 -1.168 1
1 224 . 8 1 1 A 27 27 HIS CA C 27 57.025 58.599 -1.574 1
1 225 . 8 1 1 A 27 27 HIS HA H 27 4.387 4.310 0.077 1
1 226 . 8 1 1 A 27 27 HIS CB C 27 31.749 29.448 2.301 1
1 233 . 8 1 1 A 27 27 HIS C C 27 178.165 177.482 0.683 1
1 234 . 8 1 1 A 28 28 LEU N N 28 122.201 120.644 1.557 1
1 235 . 8 1 1 A 28 28 LEU H H 28 6.890 8.140 -1.250 1
1 236 . 8 1 1 A 28 28 LEU CA C 28 57.568 57.304 0.264 1
1 237 . 8 1 1 A 28 28 LEU HA H 28 3.133 2.694 0.439 1
1 238 . 8 1 1 A 28 28 LEU CB C 28 40.421 41.605 -1.184 1
1 251 . 8 1 1 A 28 28 LEU C C 28 177.398 177.735 -0.337 1
1 252 . 8 1 1 A 29 29 ALA N N 29 120.974 120.628 0.346 1
1 253 . 8 1 1 A 29 29 ALA H H 29 8.291 8.817 -0.526 1
1 254 . 8 1 1 A 29 29 ALA CA C 29 55.296 55.663 -0.367 1
1 255 . 8 1 1 A 29 29 ALA HA H 29 3.906 4.023 -0.117 1
1 256 . 8 1 1 A 29 29 ALA CB C 29 17.744 18.417 -0.673 1
1 260 . 8 1 1 A 29 29 ALA C C 29 180.489 179.684 0.805 1
1 261 . 8 1 1 A 30 30 ARG N N 30 116.427 117.097 -0.670 1
1 262 . 8 1 1 A 30 30 ARG H H 30 7.431 8.459 -1.028 1
1 263 . 8 1 1 A 30 30 ARG CA C 30 58.472 58.501 -0.029 1
1 264 . 8 1 1 A 30 30 ARG HA H 30 4.022 4.083 -0.061 1
1 265 . 8 1 1 A 30 30 ARG CB C 30 30.232 30.142 0.090 1
1 274 . 8 1 1 A 30 30 ARG C C 30 178.403 178.358 0.045 1
1 275 . 8 1 1 A 31 31 HIS N N 31 119.659 120.217 -0.558 1
1 276 . 8 1 1 A 31 31 HIS H H 31 7.576 7.904 -0.328 1
1 277 . 8 1 1 A 31 31 HIS CA C 31 58.796 59.776 -0.980 1
1 278 . 8 1 1 A 31 31 HIS HA H 31 4.203 4.206 -0.003 1
1 279 . 8 1 1 A 31 31 HIS CB C 31 28.745 29.718 -0.973 1
1 286 . 8 1 1 A 31 31 HIS C C 31 175.860 177.290 -1.430 1
1 287 . 8 1 1 A 32 32 ARG N N 32 128.186 117.410 10.776 1
1 288 . 8 1 1 A 32 32 ARG H H 32 8.021 8.245 -0.224 1
1 289 . 8 1 1 A 32 32 ARG CA C 32 59.996 58.949 1.047 1
1 290 . 8 1 1 A 32 32 ARG HA H 32 3.735 3.902 -0.167 1
1 291 . 8 1 1 A 32 32 ARG CB C 32 30.005 29.882 0.123 1
1 300 . 8 1 1 A 32 32 ARG C C 32 178.010 179.628 -1.618 1
1 301 . 8 1 1 A 33 33 GLY N N 33 118.610 108.169 10.441 1
1 302 . 8 1 1 A 33 33 GLY H H 33 7.577 8.176 -0.599 1
1 303 . 8 1 1 A 33 33 GLY CA C 33 46.501 47.134 -0.633 1
1 304 . 8 1 1 A 33 33 GLY HA2 H 33 3.856 3.620 0.236 1
1 305 . 8 1 1 A 33 33 GLY HA3 H 33 3.976 3.637 0.339 1
1 306 . 8 1 1 A 33 33 GLY C C 33 175.874 176.210 -0.336 1
1 307 . 8 1 1 A 34 34 ILE N N 34 118.491 119.553 -1.062 1
1 308 . 8 1 1 A 34 34 ILE H H 34 7.804 8.058 -0.254 1
1 309 . 8 1 1 A 34 34 ILE CA C 34 62.728 64.252 -1.524 1
1 310 . 8 1 1 A 34 34 ILE HA H 34 4.012 3.693 0.319 1
1 311 . 8 1 1 A 34 34 ILE CB C 34 37.640 37.023 0.617 1
1 324 . 8 1 1 A 34 34 ILE C C 34 177.422 177.571 -0.149 1
1 325 . 8 1 1 A 35 35 HIS N N 35 117.828 119.309 -1.481 1
1 326 . 8 1 1 A 35 35 HIS H H 35 7.323 7.318 0.005 1
1 327 . 8 1 1 A 35 35 HIS CA C 35 55.311 58.568 -3.257 1
1 328 . 8 1 1 A 35 35 HIS HA H 35 4.861 4.419 0.442 1
1 329 . 8 1 1 A 35 35 HIS CB C 35 28.630 31.131 -2.501 1
1 336 . 8 1 1 A 35 35 HIS C C 35 175.768 175.562 0.206 1
1 337 . 8 1 1 A 36 36 THR N N 36 112.063 108.842 3.221 1
1 338 . 8 1 1 A 36 36 THR H H 36 7.784 7.308 0.476 1
1 339 . 8 1 1 A 36 36 THR CA C 36 62.436 63.220 -0.784 1
1 340 . 8 1 1 A 36 36 THR HA H 36 4.330 4.210 0.120 1
1 341 . 8 1 1 A 36 36 THR CB C 36 69.703 68.476 1.227 1
1 347 . 8 1 1 A 36 36 THR C C 36 175.321 175.198 0.123 1
1 348 . 8 1 1 A 37 37 GLY N N 37 111.105 114.283 -3.178 1
1 349 . 8 1 1 A 37 37 GLY H H 37 8.435 8.923 -0.488 1
1 350 . 8 1 1 A 37 37 GLY CA C 37 45.313 45.021 0.292 1
1 351 . 8 1 1 A 37 37 GLY HA2 H 37 3.969 3.987 -0.018 1
1 352 . 8 1 1 A 37 37 GLY HA3 H 37 3.969 3.992 -0.023 1
1 353 . 8 1 1 A 37 37 GLY C C 37 174.049 174.265 -0.216 1
1 354 . 8 1 1 A 38 38 GLU N N 38 120.555 121.857 -1.302 1
1 355 . 8 1 1 A 38 38 GLU H H 38 8.211 7.963 0.248 1
1 356 . 8 1 1 A 38 38 GLU CA C 38 56.448 55.848 0.600 1
1 357 . 8 1 1 A 38 38 GLU HA H 38 4.222 4.452 -0.230 1
1 358 . 8 1 1 A 38 38 GLU CB C 38 36.225 31.030 5.195 1
1 364 . 8 1 1 A 38 38 GLU C C 38 176.258 175.173 1.085 1
1 365 . 8 1 1 A 39 39 LYS N N 39 123.818 126.468 -2.650 1
1 366 . 8 1 1 A 39 39 LYS H H 39 8.392 8.495 -0.103 1
1 367 . 8 1 1 A 39 39 LYS CA C 39 54.059 53.298 0.761 1
1 368 . 8 1 1 A 39 39 LYS HA H 39 4.580 4.831 -0.251 1
1 369 . 8 1 1 A 39 39 LYS CB C 39 32.451 35.261 -2.810 1
1 381 . 8 1 1 A 39 39 LYS C C 39 174.049 174.954 -0.905 1
1 382 . 8 1 1 A 40 40 PRO CA C 40 63.172 62.963 0.209 1
1 383 . 8 1 1 A 40 40 PRO HA H 40 4.444 4.669 -0.225 1
1 384 . 8 1 1 A 40 40 PRO CB C 40 32.143 32.250 -0.107 1
1 393 . 8 1 1 A 40 40 PRO C C 40 177.021 177.169 -0.148 1
1 394 . 8 1 1 A 41 41 SER N N 41 116.548 117.744 -1.196 1
1 395 . 8 1 1 A 41 41 SER H H 41 8.473 8.628 -0.155 1
1 396 . 8 1 1 A 41 41 SER CA C 41 58.308 58.042 0.266 1
1 397 . 8 1 1 A 41 41 SER HA H 41 4.455 4.622 -0.167 1
1 398 . 8 1 1 A 41 41 SER CB C 41 63.988 61.666 2.322 1
1 401 . 8 1 1 A 41 41 SER C C 41 177.006 173.575 3.431 1
1 402 . 8 1 1 A 42 42 GLY CA C 42 44.654 43.895 0.759 1
1 403 . 8 1 1 A 42 42 GLY HA2 H 42 4.086 4.142 -0.056 1
1 404 . 8 1 1 A 42 42 GLY HA3 H 42 4.125 4.143 -0.018 1
1 405 . 8 1 1 A 43 43 PRO CA C 43 63.217 62.586 0.631 1
1 406 . 8 1 1 A 43 43 PRO HA H 43 4.445 4.741 -0.296 1
1 407 . 8 1 1 A 43 43 PRO CB C 43 32.196 31.057 1.139 1
1 416 . 8 1 1 A 45 45 SER CA C 45 58.418 56.685 1.733 1
1 417 . 8 1 1 A 45 45 SER HA H 45 4.478 5.068 -0.590 1
1 418 . 8 1 1 A 45 45 SER CB C 45 63.838 65.706 -1.868 1
1 420 . 8 1 1 A 45 45 SER C C 45 173.908 172.633 1.275 1
1 1 . 9 1 1 A 8 8 THR N N 8 112.857 115.627 -2.770 1
1 2 . 9 1 1 A 8 8 THR H H 8 8.147 8.145 0.002 1
1 3 . 9 1 1 A 8 8 THR CA C 8 61.875 61.111 0.764 1
1 4 . 9 1 1 A 8 8 THR HA H 8 4.345 4.522 -0.177 1
1 5 . 9 1 1 A 8 8 THR CB C 8 70.012 68.685 1.327 1
1 11 . 9 1 1 A 8 8 THR C C 8 175.287 174.285 1.002 1
1 12 . 9 1 1 A 9 9 GLY N N 9 110.887 110.838 0.049 1
1 13 . 9 1 1 A 9 9 GLY H H 9 8.241 7.788 0.453 1
1 14 . 9 1 1 A 9 9 GLY CA C 9 45.373 44.733 0.640 1
1 15 . 9 1 1 A 9 9 GLY HA2 H 9 4.009 4.068 -0.059 1
1 16 . 9 1 1 A 9 9 GLY HA3 H 9 3.917 4.069 -0.152 1
1 17 . 9 1 1 A 9 9 GLY C C 9 174.121 173.386 0.735 1
1 18 . 9 1 1 A 10 10 GLU N N 10 120.584 123.182 -2.598 1
1 19 . 9 1 1 A 10 10 GLU H H 10 8.075 8.859 -0.784 1
1 20 . 9 1 1 A 10 10 GLU CA C 10 56.436 55.760 0.676 1
1 21 . 9 1 1 A 10 10 GLU HA H 10 4.224 4.585 -0.361 1
1 22 . 9 1 1 A 10 10 GLU CB C 10 30.465 30.767 -0.302 1
1 28 . 9 1 1 A 10 10 GLU C C 10 176.282 175.967 0.315 1
1 29 . 9 1 1 A 11 11 LYS N N 11 123.004 124.189 -1.185 1
1 30 . 9 1 1 A 11 11 LYS H H 11 8.295 8.970 -0.675 1
1 31 . 9 1 1 A 11 11 LYS CA C 11 53.874 53.441 0.433 1
1 32 . 9 1 1 A 11 11 LYS HA H 11 4.515 4.801 -0.286 1
1 33 . 9 1 1 A 11 11 LYS CB C 11 32.609 32.863 -0.254 1
1 45 . 9 1 1 A 11 11 LYS C C 11 174.534 176.497 -1.963 1
1 46 . 9 1 1 A 12 12 PRO CA C 12 62.928 64.375 -1.447 1
1 47 . 9 1 1 A 12 12 PRO HA H 12 4.296 4.499 -0.203 1
1 48 . 9 1 1 A 12 12 PRO CB C 12 32.274 31.653 0.621 1
1 57 . 9 1 1 A 12 12 PRO C C 12 176.489 176.069 0.420 1
1 58 . 9 1 1 A 13 13 TYR N N 13 119.870 118.432 1.438 1
1 59 . 9 1 1 A 13 13 TYR H H 13 8.106 8.198 -0.092 1
1 60 . 9 1 1 A 13 13 TYR CA C 13 57.209 57.205 0.004 1
1 61 . 9 1 1 A 13 13 TYR HA H 13 4.588 4.817 -0.229 1
1 62 . 9 1 1 A 13 13 TYR CB C 13 38.107 36.397 1.710 1
1 73 . 9 1 1 A 13 13 TYR C C 13 174.089 175.023 -0.934 1
1 74 . 9 1 1 A 14 14 LYS N N 14 124.673 123.185 1.488 1
1 75 . 9 1 1 A 14 14 LYS H H 14 8.358 7.977 0.381 1
1 76 . 9 1 1 A 14 14 LYS CA C 14 54.730 54.788 -0.058 1
1 77 . 9 1 1 A 14 14 LYS HA H 14 5.077 5.254 -0.177 1
1 78 . 9 1 1 A 14 14 LYS CB C 14 36.068 34.887 1.181 1
1 90 . 9 1 1 A 14 14 LYS C C 14 175.181 176.329 -1.148 1
1 91 . 9 1 1 A 15 15 CYS N N 15 127.857 125.227 2.630 1
1 92 . 9 1 1 A 15 15 CYS H H 15 9.307 9.008 0.299 1
1 93 . 9 1 1 A 15 15 CYS CA C 15 59.474 60.392 -0.918 1
1 94 . 9 1 1 A 15 15 CYS HA H 15 4.524 4.578 -0.054 1
1 95 . 9 1 1 A 15 15 CYS CB C 15 29.634 28.830 0.804 1
1 98 . 9 1 1 A 15 15 CYS C C 15 176.857 175.862 0.995 1
1 99 . 9 1 1 A 16 16 ASN CA C 16 55.608 53.216 2.392 1
1 100 . 9 1 1 A 16 16 ASN HA H 16 4.497 4.996 -0.499 1
1 101 . 9 1 1 A 16 16 ASN CB C 16 38.265 38.907 -0.642 1
1 107 . 9 1 1 A 16 16 ASN C C 16 175.434 175.570 -0.136 1
1 108 . 9 1 1 A 17 17 GLU N N 17 120.770 117.423 3.347 1
1 109 . 9 1 1 A 17 17 GLU H H 17 8.702 7.528 1.174 1
1 110 . 9 1 1 A 17 17 GLU CA C 17 58.818 57.021 1.797 1
1 111 . 9 1 1 A 17 17 GLU HA H 17 4.184 4.419 -0.235 1
1 112 . 9 1 1 A 17 17 GLU CB C 17 29.358 31.145 -1.787 1
1 118 . 9 1 1 A 17 17 GLU C C 17 177.178 177.859 -0.681 1
1 119 . 9 1 1 A 18 18 CYS N N 18 127.684 114.948 12.736 1
1 120 . 9 1 1 A 18 18 CYS H H 18 7.913 8.105 -0.192 1
1 121 . 9 1 1 A 18 18 CYS CA C 18 58.271 59.453 -1.182 1
1 122 . 9 1 1 A 18 18 CYS HA H 18 5.140 4.687 0.453 1
1 123 . 9 1 1 A 18 18 CYS CB C 18 32.384 30.283 2.101 1
1 126 . 9 1 1 A 18 18 CYS C C 18 176.250 175.577 0.673 1
1 127 . 9 1 1 A 19 19 GLY N N 19 113.588 110.278 3.310 1
1 128 . 9 1 1 A 19 19 GLY H H 19 8.163 8.157 0.006 1
1 129 . 9 1 1 A 19 19 GLY CA C 19 46.206 45.114 1.092 1
1 130 . 9 1 1 A 19 19 GLY HA2 H 19 4.213 4.055 0.158 1
1 131 . 9 1 1 A 19 19 GLY HA3 H 19 3.710 4.065 -0.355 1
1 132 . 9 1 1 A 19 19 GLY C C 19 173.538 174.510 -0.972 1
1 133 . 9 1 1 A 20 20 LYS N N 20 122.672 122.078 0.594 1
1 134 . 9 1 1 A 20 20 LYS H H 20 7.898 7.532 0.366 1
1 135 . 9 1 1 A 20 20 LYS CA C 20 58.243 55.844 2.399 1
1 136 . 9 1 1 A 20 20 LYS HA H 20 3.956 4.288 -0.332 1
1 137 . 9 1 1 A 20 20 LYS CB C 20 33.796 33.631 0.165 1
1 149 . 9 1 1 A 20 20 LYS C C 20 174.305 175.397 -1.092 1
1 150 . 9 1 1 A 21 21 VAL N N 21 117.669 124.734 -7.065 1
1 151 . 9 1 1 A 21 21 VAL H H 21 7.616 7.946 -0.330 1
1 152 . 9 1 1 A 21 21 VAL CA C 21 60.531 60.620 -0.089 1
1 153 . 9 1 1 A 21 21 VAL HA H 21 4.729 4.882 -0.153 1
1 154 . 9 1 1 A 21 21 VAL CB C 21 33.937 35.492 -1.555 1
1 164 . 9 1 1 A 21 21 VAL C C 21 175.221 174.267 0.954 1
1 165 . 9 1 1 A 22 22 PHE N N 22 121.686 124.330 -2.644 1
1 166 . 9 1 1 A 22 22 PHE H H 22 8.732 8.534 0.198 1
1 167 . 9 1 1 A 22 22 PHE CA C 22 56.827 56.450 0.377 1
1 168 . 9 1 1 A 22 22 PHE HA H 22 4.874 5.073 -0.199 1
1 169 . 9 1 1 A 22 22 PHE CB C 22 43.461 43.976 -0.515 1
1 182 . 9 1 1 A 22 22 PHE C C 22 175.698 175.231 0.467 1
1 183 . 9 1 1 A 23 23 THR N N 23 111.308 113.996 -2.688 1
1 184 . 9 1 1 A 23 23 THR H H 23 9.483 8.603 0.880 1
1 185 . 9 1 1 A 23 23 THR CA C 23 63.243 63.217 0.026 1
1 186 . 9 1 1 A 23 23 THR HA H 23 4.536 4.340 0.196 1
1 187 . 9 1 1 A 23 23 THR CB C 23 69.668 70.615 -0.947 1
1 193 . 9 1 1 A 23 23 THR C C 23 174.904 174.387 0.517 1
1 194 . 9 1 1 A 24 24 GLN N N 24 128.363 119.562 8.801 1
1 195 . 9 1 1 A 24 24 GLN H H 24 7.069 7.352 -0.283 1
1 196 . 9 1 1 A 24 24 GLN CA C 24 54.007 53.751 0.256 1
1 197 . 9 1 1 A 24 24 GLN HA H 24 4.503 4.201 0.302 1
1 198 . 9 1 1 A 24 24 GLN CB C 24 31.943 30.672 1.271 1
1 207 . 9 1 1 A 24 24 GLN C C 24 175.897 175.624 0.273 1
1 208 . 9 1 1 A 25 25 ASN CA C 25 56.162 57.334 -1.172 1
1 209 . 9 1 1 A 25 25 ASN HA H 25 3.578 4.516 -0.938 1
1 210 . 9 1 1 A 25 25 ASN CB C 25 38.265 39.108 -0.843 1
1 216 . 9 1 1 A 26 26 SER CA C 26 60.828 62.369 -1.541 1
1 217 . 9 1 1 A 26 26 SER HA H 26 4.010 4.111 -0.101 1
1 218 . 9 1 1 A 26 26 SER CB C 26 61.674 62.638 -0.964 1
1 221 . 9 1 1 A 26 26 SER C C 26 177.106 176.659 0.447 1
1 222 . 9 1 1 A 27 27 HIS N N 27 121.567 119.405 2.162 1
1 223 . 9 1 1 A 27 27 HIS H H 27 6.745 7.794 -1.049 1
1 224 . 9 1 1 A 27 27 HIS CA C 27 57.025 58.773 -1.748 1
1 225 . 9 1 1 A 27 27 HIS HA H 27 4.387 4.280 0.107 1
1 226 . 9 1 1 A 27 27 HIS CB C 27 31.749 29.573 2.176 1
1 233 . 9 1 1 A 27 27 HIS C C 27 178.165 177.223 0.942 1
1 234 . 9 1 1 A 28 28 LEU N N 28 122.201 120.481 1.720 1
1 235 . 9 1 1 A 28 28 LEU H H 28 6.890 7.728 -0.838 1
1 236 . 9 1 1 A 28 28 LEU CA C 28 57.568 57.555 0.013 1
1 237 . 9 1 1 A 28 28 LEU HA H 28 3.133 2.789 0.344 1
1 238 . 9 1 1 A 28 28 LEU CB C 28 40.421 41.997 -1.576 1
1 251 . 9 1 1 A 28 28 LEU C C 28 177.398 177.989 -0.591 1
1 252 . 9 1 1 A 29 29 ALA N N 29 120.974 120.355 0.619 1
1 253 . 9 1 1 A 29 29 ALA H H 29 8.291 8.630 -0.339 1
1 254 . 9 1 1 A 29 29 ALA CA C 29 55.296 55.489 -0.193 1
1 255 . 9 1 1 A 29 29 ALA HA H 29 3.906 3.974 -0.068 1
1 256 . 9 1 1 A 29 29 ALA CB C 29 17.744 18.417 -0.673 1
1 260 . 9 1 1 A 29 29 ALA C C 29 180.489 179.673 0.816 1
1 261 . 9 1 1 A 30 30 ARG N N 30 116.427 116.968 -0.541 1
1 262 . 9 1 1 A 30 30 ARG H H 30 7.431 8.325 -0.894 1
1 263 . 9 1 1 A 30 30 ARG CA C 30 58.472 58.678 -0.206 1
1 264 . 9 1 1 A 30 30 ARG HA H 30 4.022 4.091 -0.069 1
1 265 . 9 1 1 A 30 30 ARG CB C 30 30.232 30.242 -0.010 1
1 274 . 9 1 1 A 30 30 ARG C C 30 178.403 178.389 0.014 1
1 275 . 9 1 1 A 31 31 HIS N N 31 119.659 120.133 -0.474 1
1 276 . 9 1 1 A 31 31 HIS H H 31 7.576 8.135 -0.559 1
1 277 . 9 1 1 A 31 31 HIS CA C 31 58.796 59.874 -1.078 1
1 278 . 9 1 1 A 31 31 HIS HA H 31 4.203 4.219 -0.016 1
1 279 . 9 1 1 A 31 31 HIS CB C 31 28.745 29.693 -0.948 1
1 286 . 9 1 1 A 31 31 HIS C C 31 175.860 177.182 -1.322 1
1 287 . 9 1 1 A 32 32 ARG N N 32 128.186 117.974 10.212 1
1 288 . 9 1 1 A 32 32 ARG H H 32 8.021 8.264 -0.243 1
1 289 . 9 1 1 A 32 32 ARG CA C 32 59.996 58.910 1.086 1
1 290 . 9 1 1 A 32 32 ARG HA H 32 3.735 3.937 -0.202 1
1 291 . 9 1 1 A 32 32 ARG CB C 32 30.005 29.880 0.125 1
1 300 . 9 1 1 A 32 32 ARG C C 32 178.010 179.829 -1.819 1
1 301 . 9 1 1 A 33 33 GLY N N 33 118.610 108.103 10.507 1
1 302 . 9 1 1 A 33 33 GLY H H 33 7.577 7.918 -0.341 1
1 303 . 9 1 1 A 33 33 GLY CA C 33 46.501 46.999 -0.498 1
1 304 . 9 1 1 A 33 33 GLY HA2 H 33 3.856 3.668 0.188 1
1 305 . 9 1 1 A 33 33 GLY HA3 H 33 3.976 3.683 0.293 1
1 306 . 9 1 1 A 33 33 GLY C C 33 175.874 176.161 -0.287 1
1 307 . 9 1 1 A 34 34 ILE N N 34 118.491 119.488 -0.997 1
1 308 . 9 1 1 A 34 34 ILE H H 34 7.804 8.073 -0.269 1
1 309 . 9 1 1 A 34 34 ILE CA C 34 62.728 64.380 -1.652 1
1 310 . 9 1 1 A 34 34 ILE HA H 34 4.012 3.685 0.327 1
1 311 . 9 1 1 A 34 34 ILE CB C 34 37.640 37.030 0.610 1
1 324 . 9 1 1 A 34 34 ILE C C 34 177.422 177.709 -0.287 1
1 325 . 9 1 1 A 35 35 HIS N N 35 117.828 119.697 -1.869 1
1 326 . 9 1 1 A 35 35 HIS H H 35 7.323 7.328 -0.005 1
1 327 . 9 1 1 A 35 35 HIS CA C 35 55.311 58.962 -3.651 1
1 328 . 9 1 1 A 35 35 HIS HA H 35 4.861 4.432 0.429 1
1 329 . 9 1 1 A 35 35 HIS CB C 35 28.630 30.992 -2.362 1
1 336 . 9 1 1 A 35 35 HIS C C 35 175.768 175.937 -0.169 1
1 337 . 9 1 1 A 36 36 THR N N 36 112.063 109.706 2.357 1
1 338 . 9 1 1 A 36 36 THR H H 36 7.784 7.774 0.010 1
1 339 . 9 1 1 A 36 36 THR CA C 36 62.436 60.907 1.529 1
1 340 . 9 1 1 A 36 36 THR HA H 36 4.330 4.311 0.019 1
1 341 . 9 1 1 A 36 36 THR CB C 36 69.703 68.165 1.538 1
1 347 . 9 1 1 A 36 36 THR C C 36 175.321 174.141 1.180 1
1 348 . 9 1 1 A 37 37 GLY N N 37 111.105 111.812 -0.707 1
1 349 . 9 1 1 A 37 37 GLY H H 37 8.435 7.991 0.444 1
1 350 . 9 1 1 A 37 37 GLY CA C 37 45.313 45.874 -0.561 1
1 351 . 9 1 1 A 37 37 GLY HA2 H 37 3.969 4.120 -0.151 1
1 352 . 9 1 1 A 37 37 GLY HA3 H 37 3.969 4.123 -0.154 1
1 353 . 9 1 1 A 37 37 GLY C C 37 174.049 172.605 1.444 1
1 354 . 9 1 1 A 38 38 GLU N N 38 120.555 124.717 -4.162 1
1 355 . 9 1 1 A 38 38 GLU H H 38 8.211 8.272 -0.061 1
1 356 . 9 1 1 A 38 38 GLU CA C 38 56.448 55.524 0.924 1
1 357 . 9 1 1 A 38 38 GLU HA H 38 4.222 4.428 -0.206 1
1 358 . 9 1 1 A 38 38 GLU CB C 38 36.225 28.713 7.512 1
1 364 . 9 1 1 A 38 38 GLU C C 38 176.258 175.434 0.824 1
1 365 . 9 1 1 A 39 39 LYS N N 39 123.818 127.831 -4.013 1
1 366 . 9 1 1 A 39 39 LYS H H 39 8.392 8.343 0.049 1
1 367 . 9 1 1 A 39 39 LYS CA C 39 54.059 53.291 0.768 1
1 368 . 9 1 1 A 39 39 LYS HA H 39 4.580 4.889 -0.309 1
1 369 . 9 1 1 A 39 39 LYS CB C 39 32.451 35.499 -3.048 1
1 381 . 9 1 1 A 39 39 LYS C C 39 174.049 175.439 -1.390 1
1 382 . 9 1 1 A 40 40 PRO CA C 40 63.172 62.282 0.890 1
1 383 . 9 1 1 A 40 40 PRO HA H 40 4.444 4.556 -0.112 1
1 384 . 9 1 1 A 40 40 PRO CB C 40 32.143 33.262 -1.119 1
1 393 . 9 1 1 A 40 40 PRO C C 40 177.021 177.224 -0.203 1
1 394 . 9 1 1 A 41 41 SER N N 41 116.548 116.635 -0.087 1
1 395 . 9 1 1 A 41 41 SER H H 41 8.473 8.676 -0.203 1
1 396 . 9 1 1 A 41 41 SER CA C 41 58.308 62.200 -3.892 1
1 397 . 9 1 1 A 41 41 SER HA H 41 4.455 4.119 0.336 1
1 398 . 9 1 1 A 41 41 SER CB C 41 63.988 62.929 1.059 1
1 401 . 9 1 1 A 41 41 SER C C 41 177.006 175.179 1.827 1
1 402 . 9 1 1 A 42 42 GLY CA C 42 44.654 45.017 -0.363 1
1 403 . 9 1 1 A 42 42 GLY HA2 H 42 4.086 4.061 0.025 1
1 404 . 9 1 1 A 42 42 GLY HA3 H 42 4.125 4.061 0.064 1
1 405 . 9 1 1 A 43 43 PRO CA C 43 63.217 62.668 0.549 1
1 406 . 9 1 1 A 43 43 PRO HA H 43 4.445 4.524 -0.079 1
1 407 . 9 1 1 A 43 43 PRO CB C 43 32.196 32.148 0.048 1
1 416 . 9 1 1 A 45 45 SER CA C 45 58.418 58.743 -0.325 1
1 417 . 9 1 1 A 45 45 SER HA H 45 4.478 4.423 0.055 1
1 418 . 9 1 1 A 45 45 SER CB C 45 63.838 63.620 0.218 1
1 420 . 9 1 1 A 45 45 SER C C 45 173.908 175.454 -1.546 1
1 1 . 10 1 1 A 8 8 THR N N 8 112.857 115.251 -2.394 1
1 2 . 10 1 1 A 8 8 THR H H 8 8.147 7.949 0.198 1
1 3 . 10 1 1 A 8 8 THR CA C 8 61.875 64.585 -2.710 1
1 4 . 10 1 1 A 8 8 THR HA H 8 4.345 4.300 0.045 1
1 5 . 10 1 1 A 8 8 THR CB C 8 70.012 69.587 0.425 1
1 11 . 10 1 1 A 8 8 THR C C 8 175.287 176.277 -0.990 1
1 12 . 10 1 1 A 9 9 GLY N N 9 110.887 108.452 2.435 1
1 13 . 10 1 1 A 9 9 GLY H H 9 8.241 8.310 -0.069 1
1 14 . 10 1 1 A 9 9 GLY CA C 9 45.373 47.085 -1.712 1
1 15 . 10 1 1 A 9 9 GLY HA2 H 9 4.009 3.757 0.252 1
1 16 . 10 1 1 A 9 9 GLY HA3 H 9 3.917 3.763 0.154 1
1 17 . 10 1 1 A 9 9 GLY C C 9 174.121 175.089 -0.968 1
1 18 . 10 1 1 A 10 10 GLU N N 10 120.584 120.151 0.433 1
1 19 . 10 1 1 A 10 10 GLU H H 10 8.075 8.300 -0.225 1
1 20 . 10 1 1 A 10 10 GLU CA C 10 56.436 57.246 -0.810 1
1 21 . 10 1 1 A 10 10 GLU HA H 10 4.224 3.934 0.290 1
1 22 . 10 1 1 A 10 10 GLU CB C 10 30.465 28.176 2.289 1
1 28 . 10 1 1 A 10 10 GLU C C 10 176.282 175.950 0.332 1
1 29 . 10 1 1 A 11 11 LYS N N 11 123.004 119.754 3.250 1
1 30 . 10 1 1 A 11 11 LYS H H 11 8.295 7.858 0.437 1
1 31 . 10 1 1 A 11 11 LYS CA C 11 53.874 55.325 -1.451 1
1 32 . 10 1 1 A 11 11 LYS HA H 11 4.515 4.419 0.096 1
1 33 . 10 1 1 A 11 11 LYS CB C 11 32.609 32.305 0.304 1
1 45 . 10 1 1 A 11 11 LYS C C 11 174.534 176.770 -2.236 1
1 46 . 10 1 1 A 12 12 PRO CA C 12 62.928 64.212 -1.284 1
1 47 . 10 1 1 A 12 12 PRO HA H 12 4.296 4.498 -0.202 1
1 48 . 10 1 1 A 12 12 PRO CB C 12 32.274 31.588 0.686 1
1 57 . 10 1 1 A 12 12 PRO C C 12 176.489 175.946 0.543 1
1 58 . 10 1 1 A 13 13 TYR N N 13 119.870 118.558 1.312 1
1 59 . 10 1 1 A 13 13 TYR H H 13 8.106 8.174 -0.068 1
1 60 . 10 1 1 A 13 13 TYR CA C 13 57.209 57.131 0.078 1
1 61 . 10 1 1 A 13 13 TYR HA H 13 4.588 4.843 -0.255 1
1 62 . 10 1 1 A 13 13 TYR CB C 13 38.107 36.794 1.313 1
1 73 . 10 1 1 A 13 13 TYR C C 13 174.089 175.206 -1.117 1
1 74 . 10 1 1 A 14 14 LYS N N 14 124.673 122.783 1.890 1
1 75 . 10 1 1 A 14 14 LYS H H 14 8.358 7.829 0.529 1
1 76 . 10 1 1 A 14 14 LYS CA C 14 54.730 55.822 -1.092 1
1 77 . 10 1 1 A 14 14 LYS HA H 14 5.077 5.197 -0.120 1
1 78 . 10 1 1 A 14 14 LYS CB C 14 36.068 33.709 2.359 1
1 90 . 10 1 1 A 14 14 LYS C C 14 175.181 175.963 -0.782 1
1 91 . 10 1 1 A 15 15 CYS N N 15 127.857 124.685 3.172 1
1 92 . 10 1 1 A 15 15 CYS H H 15 9.307 9.089 0.218 1
1 93 . 10 1 1 A 15 15 CYS CA C 15 59.474 58.164 1.310 1
1 94 . 10 1 1 A 15 15 CYS HA H 15 4.524 4.748 -0.224 1
1 95 . 10 1 1 A 15 15 CYS CB C 15 29.634 29.232 0.402 1
1 98 . 10 1 1 A 15 15 CYS C C 15 176.857 175.498 1.359 1
1 99 . 10 1 1 A 16 16 ASN CA C 16 55.608 56.574 -0.966 1
1 100 . 10 1 1 A 16 16 ASN HA H 16 4.497 4.377 0.120 1
1 101 . 10 1 1 A 16 16 ASN CB C 16 38.265 38.294 -0.029 1
1 107 . 10 1 1 A 16 16 ASN C C 16 175.434 176.854 -1.420 1
1 108 . 10 1 1 A 17 17 GLU N N 17 120.770 118.491 2.279 1
1 109 . 10 1 1 A 17 17 GLU H H 17 8.702 8.332 0.370 1
1 110 . 10 1 1 A 17 17 GLU CA C 17 58.818 58.711 0.107 1
1 111 . 10 1 1 A 17 17 GLU HA H 17 4.184 3.914 0.270 1
1 112 . 10 1 1 A 17 17 GLU CB C 17 29.358 28.393 0.965 1
1 118 . 10 1 1 A 17 17 GLU C C 17 177.178 178.191 -1.013 1
1 119 . 10 1 1 A 18 18 CYS N N 18 127.684 115.075 12.609 1
1 120 . 10 1 1 A 18 18 CYS H H 18 7.913 7.886 0.027 1
1 121 . 10 1 1 A 18 18 CYS CA C 18 58.271 59.755 -1.484 1
1 122 . 10 1 1 A 18 18 CYS HA H 18 5.140 4.630 0.510 1
1 123 . 10 1 1 A 18 18 CYS CB C 18 32.384 29.820 2.564 1
1 126 . 10 1 1 A 18 18 CYS C C 18 176.250 175.423 0.827 1
1 127 . 10 1 1 A 19 19 GLY N N 19 113.588 110.073 3.515 1
1 128 . 10 1 1 A 19 19 GLY H H 19 8.163 7.911 0.252 1
1 129 . 10 1 1 A 19 19 GLY CA C 19 46.206 45.029 1.177 1
1 130 . 10 1 1 A 19 19 GLY HA2 H 19 4.213 4.075 0.138 1
1 131 . 10 1 1 A 19 19 GLY HA3 H 19 3.710 4.085 -0.375 1
1 132 . 10 1 1 A 19 19 GLY C C 19 173.538 174.495 -0.957 1
1 133 . 10 1 1 A 20 20 LYS N N 20 122.672 122.210 0.462 1
1 134 . 10 1 1 A 20 20 LYS H H 20 7.898 7.527 0.371 1
1 135 . 10 1 1 A 20 20 LYS CA C 20 58.243 55.745 2.498 1
1 136 . 10 1 1 A 20 20 LYS HA H 20 3.956 4.284 -0.328 1
1 137 . 10 1 1 A 20 20 LYS CB C 20 33.796 33.739 0.057 1
1 149 . 10 1 1 A 20 20 LYS C C 20 174.305 175.422 -1.117 1
1 150 . 10 1 1 A 21 21 VAL N N 21 117.669 122.860 -5.191 1
1 151 . 10 1 1 A 21 21 VAL H H 21 7.616 7.942 -0.326 1
1 152 . 10 1 1 A 21 21 VAL CA C 21 60.531 59.996 0.535 1
1 153 . 10 1 1 A 21 21 VAL HA H 21 4.729 4.836 -0.107 1
1 154 . 10 1 1 A 21 21 VAL CB C 21 33.937 35.817 -1.880 1
1 164 . 10 1 1 A 21 21 VAL C C 21 175.221 173.988 1.233 1
1 165 . 10 1 1 A 22 22 PHE N N 22 121.686 123.669 -1.983 1
1 166 . 10 1 1 A 22 22 PHE H H 22 8.732 8.925 -0.193 1
1 167 . 10 1 1 A 22 22 PHE CA C 22 56.827 56.389 0.438 1
1 168 . 10 1 1 A 22 22 PHE HA H 22 4.874 4.962 -0.088 1
1 169 . 10 1 1 A 22 22 PHE CB C 22 43.461 43.501 -0.040 1
1 182 . 10 1 1 A 22 22 PHE C C 22 175.698 175.084 0.614 1
1 183 . 10 1 1 A 23 23 THR N N 23 111.308 115.671 -4.363 1
1 184 . 10 1 1 A 23 23 THR H H 23 9.483 8.623 0.860 1
1 185 . 10 1 1 A 23 23 THR CA C 23 63.243 60.944 2.299 1
1 186 . 10 1 1 A 23 23 THR HA H 23 4.536 4.489 0.047 1
1 187 . 10 1 1 A 23 23 THR CB C 23 69.668 68.590 1.078 1
1 193 . 10 1 1 A 23 23 THR C C 23 174.904 173.102 1.802 1
1 194 . 10 1 1 A 24 24 GLN N N 24 128.363 116.115 12.248 1
1 195 . 10 1 1 A 24 24 GLN H H 24 7.069 7.299 -0.230 1
1 196 . 10 1 1 A 24 24 GLN CA C 24 54.007 54.605 -0.598 1
1 197 . 10 1 1 A 24 24 GLN HA H 24 4.503 4.331 0.172 1
1 198 . 10 1 1 A 24 24 GLN CB C 24 31.943 31.227 0.716 1
1 207 . 10 1 1 A 24 24 GLN C C 24 175.897 175.725 0.172 1
1 208 . 10 1 1 A 25 25 ASN CA C 25 56.162 56.511 -0.349 1
1 209 . 10 1 1 A 25 25 ASN HA H 25 3.578 4.701 -1.123 1
1 210 . 10 1 1 A 25 25 ASN CB C 25 38.265 38.035 0.230 1
1 216 . 10 1 1 A 26 26 SER CA C 26 60.828 61.908 -1.080 1
1 217 . 10 1 1 A 26 26 SER HA H 26 4.010 4.067 -0.057 1
1 218 . 10 1 1 A 26 26 SER CB C 26 61.674 63.055 -1.381 1
1 221 . 10 1 1 A 26 26 SER C C 26 177.106 177.243 -0.137 1
1 222 . 10 1 1 A 27 27 HIS N N 27 121.567 118.684 2.883 1
1 223 . 10 1 1 A 27 27 HIS H H 27 6.745 8.108 -1.363 1
1 224 . 10 1 1 A 27 27 HIS CA C 27 57.025 59.179 -2.154 1
1 225 . 10 1 1 A 27 27 HIS HA H 27 4.387 4.203 0.184 1
1 226 . 10 1 1 A 27 27 HIS CB C 27 31.749 29.734 2.015 1
1 233 . 10 1 1 A 27 27 HIS C C 27 178.165 177.167 0.998 1
1 234 . 10 1 1 A 28 28 LEU N N 28 122.201 120.910 1.291 1
1 235 . 10 1 1 A 28 28 LEU H H 28 6.890 7.975 -1.085 1
1 236 . 10 1 1 A 28 28 LEU CA C 28 57.568 57.722 -0.154 1
1 237 . 10 1 1 A 28 28 LEU HA H 28 3.133 3.109 0.024 1
1 238 . 10 1 1 A 28 28 LEU CB C 28 40.421 41.989 -1.568 1
1 251 . 10 1 1 A 28 28 LEU C C 28 177.398 178.117 -0.719 1
1 252 . 10 1 1 A 29 29 ALA N N 29 120.974 120.291 0.683 1
1 253 . 10 1 1 A 29 29 ALA H H 29 8.291 8.796 -0.505 1
1 254 . 10 1 1 A 29 29 ALA CA C 29 55.296 55.447 -0.151 1
1 255 . 10 1 1 A 29 29 ALA HA H 29 3.906 4.026 -0.120 1
1 256 . 10 1 1 A 29 29 ALA CB C 29 17.744 18.459 -0.715 1
1 260 . 10 1 1 A 29 29 ALA C C 29 180.489 179.685 0.804 1
1 261 . 10 1 1 A 30 30 ARG N N 30 116.427 117.199 -0.772 1
1 262 . 10 1 1 A 30 30 ARG H H 30 7.431 8.130 -0.699 1
1 263 . 10 1 1 A 30 30 ARG CA C 30 58.472 58.649 -0.177 1
1 264 . 10 1 1 A 30 30 ARG HA H 30 4.022 4.058 -0.036 1
1 265 . 10 1 1 A 30 30 ARG CB C 30 30.232 30.254 -0.022 1
1 274 . 10 1 1 A 30 30 ARG C C 30 178.403 178.376 0.027 1
1 275 . 10 1 1 A 31 31 HIS N N 31 119.659 120.284 -0.625 1
1 276 . 10 1 1 A 31 31 HIS H H 31 7.576 7.830 -0.254 1
1 277 . 10 1 1 A 31 31 HIS CA C 31 58.796 59.785 -0.989 1
1 278 . 10 1 1 A 31 31 HIS HA H 31 4.203 4.143 0.060 1
1 279 . 10 1 1 A 31 31 HIS CB C 31 28.745 29.445 -0.700 1
1 286 . 10 1 1 A 31 31 HIS C C 31 175.860 177.015 -1.155 1
1 287 . 10 1 1 A 32 32 ARG N N 32 128.186 117.245 10.941 1
1 288 . 10 1 1 A 32 32 ARG H H 32 8.021 8.446 -0.425 1
1 289 . 10 1 1 A 32 32 ARG CA C 32 59.996 58.883 1.113 1
1 290 . 10 1 1 A 32 32 ARG HA H 32 3.735 3.907 -0.172 1
1 291 . 10 1 1 A 32 32 ARG CB C 32 30.005 29.860 0.145 1
1 300 . 10 1 1 A 32 32 ARG C C 32 178.010 179.782 -1.772 1
1 301 . 10 1 1 A 33 33 GLY N N 33 118.610 108.136 10.474 1
1 302 . 10 1 1 A 33 33 GLY H H 33 7.577 8.013 -0.436 1
1 303 . 10 1 1 A 33 33 GLY CA C 33 46.501 47.215 -0.714 1
1 304 . 10 1 1 A 33 33 GLY HA2 H 33 3.856 3.617 0.239 1
1 305 . 10 1 1 A 33 33 GLY HA3 H 33 3.976 3.638 0.338 1
1 306 . 10 1 1 A 33 33 GLY C C 33 175.874 176.080 -0.206 1
1 307 . 10 1 1 A 34 34 ILE N N 34 118.491 119.580 -1.089 1
1 308 . 10 1 1 A 34 34 ILE H H 34 7.804 8.097 -0.293 1
1 309 . 10 1 1 A 34 34 ILE CA C 34 62.728 64.237 -1.509 1
1 310 . 10 1 1 A 34 34 ILE HA H 34 4.012 3.701 0.311 1
1 311 . 10 1 1 A 34 34 ILE CB C 34 37.640 37.073 0.567 1
1 324 . 10 1 1 A 34 34 ILE C C 34 177.422 177.558 -0.136 1
1 325 . 10 1 1 A 35 35 HIS N N 35 117.828 119.459 -1.631 1
1 326 . 10 1 1 A 35 35 HIS H H 35 7.323 7.282 0.041 1
1 327 . 10 1 1 A 35 35 HIS CA C 35 55.311 58.809 -3.498 1
1 328 . 10 1 1 A 35 35 HIS HA H 35 4.861 4.456 0.405 1
1 329 . 10 1 1 A 35 35 HIS CB C 35 28.630 31.167 -2.537 1
1 336 . 10 1 1 A 35 35 HIS C C 35 175.768 175.769 -0.001 1
1 337 . 10 1 1 A 36 36 THR N N 36 112.063 108.952 3.111 1
1 338 . 10 1 1 A 36 36 THR H H 36 7.784 7.364 0.420 1
1 339 . 10 1 1 A 36 36 THR CA C 36 62.436 61.878 0.558 1
1 340 . 10 1 1 A 36 36 THR HA H 36 4.330 4.277 0.053 1
1 341 . 10 1 1 A 36 36 THR CB C 36 69.703 67.841 1.862 1
1 347 . 10 1 1 A 36 36 THR C C 36 175.321 174.545 0.776 1
1 348 . 10 1 1 A 37 37 GLY N N 37 111.105 111.148 -0.043 1
1 349 . 10 1 1 A 37 37 GLY H H 37 8.435 7.993 0.442 1
1 350 . 10 1 1 A 37 37 GLY CA C 37 45.313 46.090 -0.777 1
1 351 . 10 1 1 A 37 37 GLY HA2 H 37 3.969 4.132 -0.163 1
1 352 . 10 1 1 A 37 37 GLY HA3 H 37 3.969 4.136 -0.167 1
1 353 . 10 1 1 A 37 37 GLY C C 37 174.049 173.750 0.299 1
1 354 . 10 1 1 A 38 38 GLU N N 38 120.555 118.760 1.795 1
1 355 . 10 1 1 A 38 38 GLU H H 38 8.211 8.774 -0.563 1
1 356 . 10 1 1 A 38 38 GLU CA C 38 56.448 57.265 -0.817 1
1 357 . 10 1 1 A 38 38 GLU HA H 38 4.222 4.336 -0.114 1
1 358 . 10 1 1 A 38 38 GLU CB C 38 36.225 30.454 5.771 1
1 364 . 10 1 1 A 38 38 GLU C C 38 176.258 175.769 0.489 1
1 365 . 10 1 1 A 39 39 LYS N N 39 123.818 120.732 3.086 1
1 366 . 10 1 1 A 39 39 LYS H H 39 8.392 7.581 0.811 1
1 367 . 10 1 1 A 39 39 LYS CA C 39 54.059 52.700 1.359 1
1 368 . 10 1 1 A 39 39 LYS HA H 39 4.580 4.740 -0.160 1
1 369 . 10 1 1 A 39 39 LYS CB C 39 32.451 33.750 -1.299 1
1 381 . 10 1 1 A 39 39 LYS C C 39 174.049 173.886 0.163 1
1 382 . 10 1 1 A 40 40 PRO CA C 40 63.172 62.340 0.832 1
1 383 . 10 1 1 A 40 40 PRO HA H 40 4.444 4.594 -0.150 1
1 384 . 10 1 1 A 40 40 PRO CB C 40 32.143 33.413 -1.270 1
1 393 . 10 1 1 A 40 40 PRO C C 40 177.021 176.754 0.267 1
1 394 . 10 1 1 A 41 41 SER N N 41 116.548 115.462 1.086 1
1 395 . 10 1 1 A 41 41 SER H H 41 8.473 8.816 -0.343 1
1 396 . 10 1 1 A 41 41 SER CA C 41 58.308 61.677 -3.369 1
1 397 . 10 1 1 A 41 41 SER HA H 41 4.455 4.229 0.226 1
1 398 . 10 1 1 A 41 41 SER CB C 41 63.988 63.440 0.548 1
1 401 . 10 1 1 A 41 41 SER C C 41 177.006 174.864 2.142 1
1 402 . 10 1 1 A 42 42 GLY CA C 42 44.654 44.271 0.383 1
1 403 . 10 1 1 A 42 42 GLY HA2 H 42 4.086 4.209 -0.123 1
1 404 . 10 1 1 A 42 42 GLY HA3 H 42 4.125 4.211 -0.086 1
1 405 . 10 1 1 A 43 43 PRO CA C 43 63.217 62.469 0.748 1
1 406 . 10 1 1 A 43 43 PRO HA H 43 4.445 4.584 -0.139 1
1 407 . 10 1 1 A 43 43 PRO CB C 43 32.196 32.811 -0.615 1
1 416 . 10 1 1 A 45 45 SER CA C 45 58.418 56.527 1.891 1
1 417 . 10 1 1 A 45 45 SER HA H 45 4.478 4.958 -0.480 1
1 418 . 10 1 1 A 45 45 SER CB C 45 63.838 64.427 -0.589 1
1 420 . 10 1 1 A 45 45 SER C C 45 173.908 173.230 0.678 1
1 1 . 11 1 1 A 8 8 THR N N 8 112.857 113.690 -0.833 1
1 2 . 11 1 1 A 8 8 THR H H 8 8.147 7.972 0.175 1
1 3 . 11 1 1 A 8 8 THR CA C 8 61.875 60.141 1.734 1
1 4 . 11 1 1 A 8 8 THR HA H 8 4.345 5.035 -0.690 1
1 5 . 11 1 1 A 8 8 THR CB C 8 70.012 70.499 -0.487 1
1 11 . 11 1 1 A 8 8 THR C C 8 175.287 174.148 1.139 1
1 12 . 11 1 1 A 9 9 GLY N N 9 110.887 112.649 -1.762 1
1 13 . 11 1 1 A 9 9 GLY H H 9 8.241 8.444 -0.203 1
1 14 . 11 1 1 A 9 9 GLY CA C 9 45.373 44.673 0.700 1
1 15 . 11 1 1 A 9 9 GLY HA2 H 9 4.009 4.117 -0.108 1
1 16 . 11 1 1 A 9 9 GLY HA3 H 9 3.917 4.118 -0.201 1
1 17 . 11 1 1 A 9 9 GLY C C 9 174.121 172.780 1.341 1
1 18 . 11 1 1 A 10 10 GLU N N 10 120.584 118.902 1.682 1
1 19 . 11 1 1 A 10 10 GLU H H 10 8.075 8.720 -0.645 1
1 20 . 11 1 1 A 10 10 GLU CA C 10 56.436 54.506 1.930 1
1 21 . 11 1 1 A 10 10 GLU HA H 10 4.224 5.052 -0.828 1
1 22 . 11 1 1 A 10 10 GLU CB C 10 30.465 33.934 -3.469 1
1 28 . 11 1 1 A 10 10 GLU C C 10 176.282 175.284 0.998 1
1 29 . 11 1 1 A 11 11 LYS N N 11 123.004 121.483 1.521 1
1 30 . 11 1 1 A 11 11 LYS H H 11 8.295 8.729 -0.434 1
1 31 . 11 1 1 A 11 11 LYS CA C 11 53.874 54.069 -0.195 1
1 32 . 11 1 1 A 11 11 LYS HA H 11 4.515 4.634 -0.119 1
1 33 . 11 1 1 A 11 11 LYS CB C 11 32.609 31.764 0.845 1
1 45 . 11 1 1 A 11 11 LYS C C 11 174.534 176.479 -1.945 1
1 46 . 11 1 1 A 12 12 PRO CA C 12 62.928 64.325 -1.397 1
1 47 . 11 1 1 A 12 12 PRO HA H 12 4.296 4.462 -0.166 1
1 48 . 11 1 1 A 12 12 PRO CB C 12 32.274 31.619 0.655 1
1 57 . 11 1 1 A 12 12 PRO C C 12 176.489 176.064 0.425 1
1 58 . 11 1 1 A 13 13 TYR N N 13 119.870 117.595 2.275 1
1 59 . 11 1 1 A 13 13 TYR H H 13 8.106 8.132 -0.026 1
1 60 . 11 1 1 A 13 13 TYR CA C 13 57.209 57.031 0.178 1
1 61 . 11 1 1 A 13 13 TYR HA H 13 4.588 4.861 -0.273 1
1 62 . 11 1 1 A 13 13 TYR CB C 13 38.107 37.412 0.695 1
1 73 . 11 1 1 A 13 13 TYR C C 13 174.089 175.278 -1.189 1
1 74 . 11 1 1 A 14 14 LYS N N 14 124.673 121.901 2.772 1
1 75 . 11 1 1 A 14 14 LYS H H 14 8.358 7.731 0.627 1
1 76 . 11 1 1 A 14 14 LYS CA C 14 54.730 55.095 -0.365 1
1 77 . 11 1 1 A 14 14 LYS HA H 14 5.077 5.154 -0.077 1
1 78 . 11 1 1 A 14 14 LYS CB C 14 36.068 34.279 1.789 1
1 90 . 11 1 1 A 14 14 LYS C C 14 175.181 176.602 -1.421 1
1 91 . 11 1 1 A 15 15 CYS N N 15 127.857 125.311 2.546 1
1 92 . 11 1 1 A 15 15 CYS H H 15 9.307 8.871 0.436 1
1 93 . 11 1 1 A 15 15 CYS CA C 15 59.474 59.830 -0.356 1
1 94 . 11 1 1 A 15 15 CYS HA H 15 4.524 4.665 -0.141 1
1 95 . 11 1 1 A 15 15 CYS CB C 15 29.634 28.605 1.029 1
1 98 . 11 1 1 A 15 15 CYS C C 15 176.857 174.749 2.108 1
1 99 . 11 1 1 A 16 16 ASN CA C 16 55.608 54.516 1.092 1
1 100 . 11 1 1 A 16 16 ASN HA H 16 4.497 4.751 -0.254 1
1 101 . 11 1 1 A 16 16 ASN CB C 16 38.265 39.737 -1.472 1
1 107 . 11 1 1 A 16 16 ASN C C 16 175.434 177.370 -1.936 1
1 108 . 11 1 1 A 17 17 GLU N N 17 120.770 118.547 2.223 1
1 109 . 11 1 1 A 17 17 GLU H H 17 8.702 7.776 0.926 1
1 110 . 11 1 1 A 17 17 GLU CA C 17 58.818 58.729 0.089 1
1 111 . 11 1 1 A 17 17 GLU HA H 17 4.184 3.931 0.253 1
1 112 . 11 1 1 A 17 17 GLU CB C 17 29.358 28.172 1.186 1
1 118 . 11 1 1 A 17 17 GLU C C 17 177.178 178.034 -0.856 1
1 119 . 11 1 1 A 18 18 CYS N N 18 127.684 114.886 12.798 1
1 120 . 11 1 1 A 18 18 CYS H H 18 7.913 7.499 0.414 1
1 121 . 11 1 1 A 18 18 CYS CA C 18 58.271 59.721 -1.450 1
1 122 . 11 1 1 A 18 18 CYS HA H 18 5.140 4.658 0.482 1
1 123 . 11 1 1 A 18 18 CYS CB C 18 32.384 29.825 2.559 1
1 126 . 11 1 1 A 18 18 CYS C C 18 176.250 175.333 0.917 1
1 127 . 11 1 1 A 19 19 GLY N N 19 113.588 110.236 3.352 1
1 128 . 11 1 1 A 19 19 GLY H H 19 8.163 8.074 0.089 1
1 129 . 11 1 1 A 19 19 GLY CA C 19 46.206 45.212 0.994 1
1 130 . 11 1 1 A 19 19 GLY HA2 H 19 4.213 4.057 0.156 1
1 131 . 11 1 1 A 19 19 GLY HA3 H 19 3.710 4.067 -0.357 1
1 132 . 11 1 1 A 19 19 GLY C C 19 173.538 174.382 -0.844 1
1 133 . 11 1 1 A 20 20 LYS N N 20 122.672 121.756 0.916 1
1 134 . 11 1 1 A 20 20 LYS H H 20 7.898 7.862 0.036 1
1 135 . 11 1 1 A 20 20 LYS CA C 20 58.243 55.494 2.749 1
1 136 . 11 1 1 A 20 20 LYS HA H 20 3.956 4.345 -0.389 1
1 137 . 11 1 1 A 20 20 LYS CB C 20 33.796 33.510 0.286 1
1 149 . 11 1 1 A 20 20 LYS C C 20 174.305 175.235 -0.930 1
1 150 . 11 1 1 A 21 21 VAL N N 21 117.669 124.195 -6.526 1
1 151 . 11 1 1 A 21 21 VAL H H 21 7.616 7.932 -0.316 1
1 152 . 11 1 1 A 21 21 VAL CA C 21 60.531 60.571 -0.040 1
1 153 . 11 1 1 A 21 21 VAL HA H 21 4.729 4.984 -0.255 1
1 154 . 11 1 1 A 21 21 VAL CB C 21 33.937 35.060 -1.123 1
1 164 . 11 1 1 A 21 21 VAL C C 21 175.221 174.260 0.961 1
1 165 . 11 1 1 A 22 22 PHE N N 22 121.686 124.379 -2.693 1
1 166 . 11 1 1 A 22 22 PHE H H 22 8.732 8.915 -0.183 1
1 167 . 11 1 1 A 22 22 PHE CA C 22 56.827 56.014 0.813 1
1 168 . 11 1 1 A 22 22 PHE HA H 22 4.874 5.010 -0.136 1
1 169 . 11 1 1 A 22 22 PHE CB C 22 43.461 43.889 -0.428 1
1 182 . 11 1 1 A 22 22 PHE C C 22 175.698 175.271 0.427 1
1 183 . 11 1 1 A 23 23 THR N N 23 111.308 115.396 -4.088 1
1 184 . 11 1 1 A 23 23 THR H H 23 9.483 8.739 0.744 1
1 185 . 11 1 1 A 23 23 THR CA C 23 63.243 61.115 2.128 1
1 186 . 11 1 1 A 23 23 THR HA H 23 4.536 4.653 -0.117 1
1 187 . 11 1 1 A 23 23 THR CB C 23 69.668 68.683 0.985 1
1 193 . 11 1 1 A 23 23 THR C C 23 174.904 173.527 1.377 1
1 194 . 11 1 1 A 24 24 GLN N N 24 128.363 120.531 7.832 1
1 195 . 11 1 1 A 24 24 GLN H H 24 7.069 7.453 -0.384 1
1 196 . 11 1 1 A 24 24 GLN CA C 24 54.007 55.114 -1.107 1
1 197 . 11 1 1 A 24 24 GLN HA H 24 4.503 4.074 0.429 1
1 198 . 11 1 1 A 24 24 GLN CB C 24 31.943 31.015 0.928 1
1 207 . 11 1 1 A 24 24 GLN C C 24 175.897 174.909 0.988 1
1 208 . 11 1 1 A 25 25 ASN CA C 25 56.162 56.221 -0.059 1
1 209 . 11 1 1 A 25 25 ASN HA H 25 3.578 4.523 -0.945 1
1 210 . 11 1 1 A 25 25 ASN CB C 25 38.265 37.831 0.434 1
1 216 . 11 1 1 A 26 26 SER CA C 26 60.828 62.171 -1.343 1
1 217 . 11 1 1 A 26 26 SER HA H 26 4.010 4.073 -0.063 1
1 218 . 11 1 1 A 26 26 SER CB C 26 61.674 63.274 -1.600 1
1 221 . 11 1 1 A 26 26 SER C C 26 177.106 176.133 0.973 1
1 222 . 11 1 1 A 27 27 HIS N N 27 121.567 118.768 2.799 1
1 223 . 11 1 1 A 27 27 HIS H H 27 6.745 7.783 -1.038 1
1 224 . 11 1 1 A 27 27 HIS CA C 27 57.025 59.263 -2.238 1
1 225 . 11 1 1 A 27 27 HIS HA H 27 4.387 4.227 0.160 1
1 226 . 11 1 1 A 27 27 HIS CB C 27 31.749 30.563 1.186 1
1 233 . 11 1 1 A 27 27 HIS C C 27 178.165 177.450 0.715 1
1 234 . 11 1 1 A 28 28 LEU N N 28 122.201 121.069 1.132 1
1 235 . 11 1 1 A 28 28 LEU H H 28 6.890 7.951 -1.061 1
1 236 . 11 1 1 A 28 28 LEU CA C 28 57.568 57.456 0.112 1
1 237 . 11 1 1 A 28 28 LEU HA H 28 3.133 2.892 0.241 1
1 238 . 11 1 1 A 28 28 LEU CB C 28 40.421 41.927 -1.506 1
1 251 . 11 1 1 A 28 28 LEU C C 28 177.398 177.937 -0.539 1
1 252 . 11 1 1 A 29 29 ALA N N 29 120.974 120.333 0.641 1
1 253 . 11 1 1 A 29 29 ALA H H 29 8.291 8.563 -0.272 1
1 254 . 11 1 1 A 29 29 ALA CA C 29 55.296 55.482 -0.186 1
1 255 . 11 1 1 A 29 29 ALA HA H 29 3.906 4.047 -0.141 1
1 256 . 11 1 1 A 29 29 ALA CB C 29 17.744 18.605 -0.861 1
1 260 . 11 1 1 A 29 29 ALA C C 29 180.489 179.664 0.825 1
1 261 . 11 1 1 A 30 30 ARG N N 30 116.427 117.208 -0.781 1
1 262 . 11 1 1 A 30 30 ARG H H 30 7.431 7.584 -0.153 1
1 263 . 11 1 1 A 30 30 ARG CA C 30 58.472 58.617 -0.145 1
1 264 . 11 1 1 A 30 30 ARG HA H 30 4.022 4.063 -0.041 1
1 265 . 11 1 1 A 30 30 ARG CB C 30 30.232 30.201 0.031 1
1 274 . 11 1 1 A 30 30 ARG C C 30 178.403 178.302 0.101 1
1 275 . 11 1 1 A 31 31 HIS N N 31 119.659 120.350 -0.691 1
1 276 . 11 1 1 A 31 31 HIS H H 31 7.576 8.018 -0.442 1
1 277 . 11 1 1 A 31 31 HIS CA C 31 58.796 59.819 -1.023 1
1 278 . 11 1 1 A 31 31 HIS HA H 31 4.203 4.207 -0.004 1
1 279 . 11 1 1 A 31 31 HIS CB C 31 28.745 29.534 -0.789 1
1 286 . 11 1 1 A 31 31 HIS C C 31 175.860 177.021 -1.161 1
1 287 . 11 1 1 A 32 32 ARG N N 32 128.186 117.362 10.824 1
1 288 . 11 1 1 A 32 32 ARG H H 32 8.021 8.311 -0.290 1
1 289 . 11 1 1 A 32 32 ARG CA C 32 59.996 58.984 1.012 1
1 290 . 11 1 1 A 32 32 ARG HA H 32 3.735 3.961 -0.226 1
1 291 . 11 1 1 A 32 32 ARG CB C 32 30.005 29.883 0.122 1
1 300 . 11 1 1 A 32 32 ARG C C 32 178.010 179.641 -1.631 1
1 301 . 11 1 1 A 33 33 GLY N N 33 118.610 108.018 10.592 1
1 302 . 11 1 1 A 33 33 GLY H H 33 7.577 7.964 -0.387 1
1 303 . 11 1 1 A 33 33 GLY CA C 33 46.501 47.034 -0.533 1
1 304 . 11 1 1 A 33 33 GLY HA2 H 33 3.856 3.622 0.234 1
1 305 . 11 1 1 A 33 33 GLY HA3 H 33 3.976 3.639 0.337 1
1 306 . 11 1 1 A 33 33 GLY C C 33 175.874 175.996 -0.122 1
1 307 . 11 1 1 A 34 34 ILE N N 34 118.491 119.355 -0.864 1
1 308 . 11 1 1 A 34 34 ILE H H 34 7.804 8.050 -0.246 1
1 309 . 11 1 1 A 34 34 ILE CA C 34 62.728 63.952 -1.224 1
1 310 . 11 1 1 A 34 34 ILE HA H 34 4.012 3.702 0.310 1
1 311 . 11 1 1 A 34 34 ILE CB C 34 37.640 37.002 0.638 1
1 324 . 11 1 1 A 34 34 ILE C C 34 177.422 177.303 0.119 1
1 325 . 11 1 1 A 35 35 HIS N N 35 117.828 119.438 -1.610 1
1 326 . 11 1 1 A 35 35 HIS H H 35 7.323 7.243 0.080 1
1 327 . 11 1 1 A 35 35 HIS CA C 35 55.311 57.819 -2.508 1
1 328 . 11 1 1 A 35 35 HIS HA H 35 4.861 4.475 0.386 1
1 329 . 11 1 1 A 35 35 HIS CB C 35 28.630 31.329 -2.699 1
1 336 . 11 1 1 A 35 35 HIS C C 35 175.768 175.415 0.353 1
1 337 . 11 1 1 A 36 36 THR N N 36 112.063 106.272 5.791 1
1 338 . 11 1 1 A 36 36 THR H H 36 7.784 7.766 0.018 1
1 339 . 11 1 1 A 36 36 THR CA C 36 62.436 61.798 0.638 1
1 340 . 11 1 1 A 36 36 THR HA H 36 4.330 4.300 0.030 1
1 341 . 11 1 1 A 36 36 THR CB C 36 69.703 68.877 0.826 1
1 347 . 11 1 1 A 36 36 THR C C 36 175.321 175.351 -0.030 1
1 348 . 11 1 1 A 37 37 GLY N N 37 111.105 114.336 -3.231 1
1 349 . 11 1 1 A 37 37 GLY H H 37 8.435 8.782 -0.347 1
1 350 . 11 1 1 A 37 37 GLY CA C 37 45.313 46.690 -1.377 1
1 351 . 11 1 1 A 37 37 GLY HA2 H 37 3.969 3.982 -0.013 1
1 352 . 11 1 1 A 37 37 GLY HA3 H 37 3.969 3.988 -0.019 1
1 353 . 11 1 1 A 37 37 GLY C C 37 174.049 174.416 -0.367 1
1 354 . 11 1 1 A 38 38 GLU N N 38 120.555 116.748 3.807 1
1 355 . 11 1 1 A 38 38 GLU H H 38 8.211 8.079 0.132 1
1 356 . 11 1 1 A 38 38 GLU CA C 38 56.448 55.072 1.376 1
1 357 . 11 1 1 A 38 38 GLU HA H 38 4.222 4.548 -0.326 1
1 358 . 11 1 1 A 38 38 GLU CB C 38 36.225 30.683 5.542 1
1 364 . 11 1 1 A 38 38 GLU C C 38 176.258 177.173 -0.915 1
1 365 . 11 1 1 A 39 39 LYS N N 39 123.818 120.232 3.586 1
1 366 . 11 1 1 A 39 39 LYS H H 39 8.392 8.781 -0.389 1
1 367 . 11 1 1 A 39 39 LYS CA C 39 54.059 61.433 -7.374 1
1 368 . 11 1 1 A 39 39 LYS HA H 39 4.580 3.927 0.653 1
1 369 . 11 1 1 A 39 39 LYS CB C 39 32.451 30.854 1.597 1
1 381 . 11 1 1 A 39 39 LYS C C 39 174.049 177.072 -3.023 1
1 382 . 11 1 1 A 40 40 PRO CA C 40 63.172 62.514 0.658 1
1 383 . 11 1 1 A 40 40 PRO HA H 40 4.444 4.485 -0.041 1
1 384 . 11 1 1 A 40 40 PRO CB C 40 32.143 33.217 -1.074 1
1 393 . 11 1 1 A 40 40 PRO C C 40 177.021 176.321 0.700 1
1 394 . 11 1 1 A 41 41 SER N N 41 116.548 115.074 1.474 1
1 395 . 11 1 1 A 41 41 SER H H 41 8.473 8.864 -0.391 1
1 396 . 11 1 1 A 41 41 SER CA C 41 58.308 58.926 -0.618 1
1 397 . 11 1 1 A 41 41 SER HA H 41 4.455 4.619 -0.164 1
1 398 . 11 1 1 A 41 41 SER CB C 41 63.988 65.773 -1.785 1
1 401 . 11 1 1 A 41 41 SER C C 41 177.006 174.542 2.464 1
1 402 . 11 1 1 A 42 42 GLY CA C 42 44.654 45.356 -0.702 1
1 403 . 11 1 1 A 42 42 GLY HA2 H 42 4.086 4.088 -0.002 1
1 404 . 11 1 1 A 42 42 GLY HA3 H 42 4.125 4.088 0.037 1
1 405 . 11 1 1 A 43 43 PRO CA C 43 63.217 62.517 0.700 1
1 406 . 11 1 1 A 43 43 PRO HA H 43 4.445 4.655 -0.210 1
1 407 . 11 1 1 A 43 43 PRO CB C 43 32.196 30.027 2.169 1
1 416 . 11 1 1 A 45 45 SER CA C 45 58.418 57.733 0.685 1
1 417 . 11 1 1 A 45 45 SER HA H 45 4.478 5.028 -0.550 1
1 418 . 11 1 1 A 45 45 SER CB C 45 63.838 65.476 -1.638 1
1 420 . 11 1 1 A 45 45 SER C C 45 173.908 172.936 0.972 1
1 1 . 12 1 1 A 8 8 THR N N 8 112.857 117.399 -4.542 1
1 2 . 12 1 1 A 8 8 THR H H 8 8.147 8.425 -0.278 1
1 3 . 12 1 1 A 8 8 THR CA C 8 61.875 60.476 1.399 1
1 4 . 12 1 1 A 8 8 THR HA H 8 4.345 5.067 -0.722 1
1 5 . 12 1 1 A 8 8 THR CB C 8 70.012 72.221 -2.209 1
1 11 . 12 1 1 A 8 8 THR C C 8 175.287 173.549 1.738 1
1 12 . 12 1 1 A 9 9 GLY N N 9 110.887 111.163 -0.276 1
1 13 . 12 1 1 A 9 9 GLY H H 9 8.241 8.456 -0.215 1
1 14 . 12 1 1 A 9 9 GLY CA C 9 45.373 44.373 1.000 1
1 15 . 12 1 1 A 9 9 GLY HA2 H 9 4.009 4.147 -0.138 1
1 16 . 12 1 1 A 9 9 GLY HA3 H 9 3.917 4.147 -0.230 1
1 17 . 12 1 1 A 9 9 GLY C C 9 174.121 172.267 1.854 1
1 18 . 12 1 1 A 10 10 GLU N N 10 120.584 117.873 2.711 1
1 19 . 12 1 1 A 10 10 GLU H H 10 8.075 8.724 -0.649 1
1 20 . 12 1 1 A 10 10 GLU CA C 10 56.436 54.500 1.936 1
1 21 . 12 1 1 A 10 10 GLU HA H 10 4.224 5.047 -0.823 1
1 22 . 12 1 1 A 10 10 GLU CB C 10 30.465 33.493 -3.028 1
1 28 . 12 1 1 A 10 10 GLU C C 10 176.282 174.874 1.408 1
1 29 . 12 1 1 A 11 11 LYS N N 11 123.004 121.643 1.361 1
1 30 . 12 1 1 A 11 11 LYS H H 11 8.295 8.579 -0.284 1
1 31 . 12 1 1 A 11 11 LYS CA C 11 53.874 53.406 0.468 1
1 32 . 12 1 1 A 11 11 LYS HA H 11 4.515 4.844 -0.329 1
1 33 . 12 1 1 A 11 11 LYS CB C 11 32.609 33.279 -0.670 1
1 45 . 12 1 1 A 11 11 LYS C C 11 174.534 176.488 -1.954 1
1 46 . 12 1 1 A 12 12 PRO CA C 12 62.928 63.975 -1.047 1
1 47 . 12 1 1 A 12 12 PRO HA H 12 4.296 4.406 -0.110 1
1 48 . 12 1 1 A 12 12 PRO CB C 12 32.274 31.422 0.852 1
1 57 . 12 1 1 A 12 12 PRO C C 12 176.489 175.685 0.804 1
1 58 . 12 1 1 A 13 13 TYR N N 13 119.870 119.173 0.697 1
1 59 . 12 1 1 A 13 13 TYR H H 13 8.106 7.716 0.390 1
1 60 . 12 1 1 A 13 13 TYR CA C 13 57.209 56.594 0.615 1
1 61 . 12 1 1 A 13 13 TYR HA H 13 4.588 5.042 -0.454 1
1 62 . 12 1 1 A 13 13 TYR CB C 13 38.107 39.454 -1.347 1
1 73 . 12 1 1 A 13 13 TYR C C 13 174.089 174.247 -0.158 1
1 74 . 12 1 1 A 14 14 LYS N N 14 124.673 125.337 -0.664 1
1 75 . 12 1 1 A 14 14 LYS H H 14 8.358 8.837 -0.479 1
1 76 . 12 1 1 A 14 14 LYS CA C 14 54.730 54.734 -0.004 1
1 77 . 12 1 1 A 14 14 LYS HA H 14 5.077 5.466 -0.389 1
1 78 . 12 1 1 A 14 14 LYS CB C 14 36.068 36.267 -0.199 1
1 90 . 12 1 1 A 14 14 LYS C C 14 175.181 174.945 0.236 1
1 91 . 12 1 1 A 15 15 CYS N N 15 127.857 125.339 2.518 1
1 92 . 12 1 1 A 15 15 CYS H H 15 9.307 9.496 -0.189 1
1 93 . 12 1 1 A 15 15 CYS CA C 15 59.474 59.731 -0.257 1
1 94 . 12 1 1 A 15 15 CYS HA H 15 4.524 4.620 -0.096 1
1 95 . 12 1 1 A 15 15 CYS CB C 15 29.634 28.697 0.937 1
1 98 . 12 1 1 A 15 15 CYS C C 15 176.857 174.770 2.087 1
1 99 . 12 1 1 A 16 16 ASN CA C 16 55.608 54.129 1.479 1
1 100 . 12 1 1 A 16 16 ASN HA H 16 4.497 4.814 -0.317 1
1 101 . 12 1 1 A 16 16 ASN CB C 16 38.265 39.218 -0.953 1
1 107 . 12 1 1 A 16 16 ASN C C 16 175.434 177.197 -1.763 1
1 108 . 12 1 1 A 17 17 GLU N N 17 120.770 120.522 0.248 1
1 109 . 12 1 1 A 17 17 GLU H H 17 8.702 7.782 0.920 1
1 110 . 12 1 1 A 17 17 GLU CA C 17 58.818 58.948 -0.130 1
1 111 . 12 1 1 A 17 17 GLU HA H 17 4.184 3.953 0.231 1
1 112 . 12 1 1 A 17 17 GLU CB C 17 29.358 28.583 0.775 1
1 118 . 12 1 1 A 17 17 GLU C C 17 177.178 178.091 -0.913 1
1 119 . 12 1 1 A 18 18 CYS N N 18 127.684 114.994 12.690 1
1 120 . 12 1 1 A 18 18 CYS H H 18 7.913 7.450 0.463 1
1 121 . 12 1 1 A 18 18 CYS CA C 18 58.271 59.689 -1.418 1
1 122 . 12 1 1 A 18 18 CYS HA H 18 5.140 4.617 0.523 1
1 123 . 12 1 1 A 18 18 CYS CB C 18 32.384 29.695 2.689 1
1 126 . 12 1 1 A 18 18 CYS C C 18 176.250 175.326 0.924 1
1 127 . 12 1 1 A 19 19 GLY N N 19 113.588 110.246 3.342 1
1 128 . 12 1 1 A 19 19 GLY H H 19 8.163 8.107 0.056 1
1 129 . 12 1 1 A 19 19 GLY CA C 19 46.206 45.204 1.002 1
1 130 . 12 1 1 A 19 19 GLY HA2 H 19 4.213 4.072 0.141 1
1 131 . 12 1 1 A 19 19 GLY HA3 H 19 3.710 4.086 -0.376 1
1 132 . 12 1 1 A 19 19 GLY C C 19 173.538 174.393 -0.855 1
1 133 . 12 1 1 A 20 20 LYS N N 20 122.672 121.831 0.841 1
1 134 . 12 1 1 A 20 20 LYS H H 20 7.898 7.974 -0.076 1
1 135 . 12 1 1 A 20 20 LYS CA C 20 58.243 55.531 2.712 1
1 136 . 12 1 1 A 20 20 LYS HA H 20 3.956 4.385 -0.429 1
1 137 . 12 1 1 A 20 20 LYS CB C 20 33.796 33.573 0.223 1
1 149 . 12 1 1 A 20 20 LYS C C 20 174.305 175.269 -0.964 1
1 150 . 12 1 1 A 21 21 VAL N N 21 117.669 125.040 -7.371 1
1 151 . 12 1 1 A 21 21 VAL H H 21 7.616 7.988 -0.372 1
1 152 . 12 1 1 A 21 21 VAL CA C 21 60.531 60.784 -0.253 1
1 153 . 12 1 1 A 21 21 VAL HA H 21 4.729 5.022 -0.293 1
1 154 . 12 1 1 A 21 21 VAL CB C 21 33.937 35.148 -1.211 1
1 164 . 12 1 1 A 21 21 VAL C C 21 175.221 174.309 0.912 1
1 165 . 12 1 1 A 22 22 PHE N N 22 121.686 124.319 -2.633 1
1 166 . 12 1 1 A 22 22 PHE H H 22 8.732 9.100 -0.368 1
1 167 . 12 1 1 A 22 22 PHE CA C 22 56.827 56.288 0.539 1
1 168 . 12 1 1 A 22 22 PHE HA H 22 4.874 5.044 -0.170 1
1 169 . 12 1 1 A 22 22 PHE CB C 22 43.461 43.865 -0.404 1
1 182 . 12 1 1 A 22 22 PHE C C 22 175.698 175.692 0.006 1
1 183 . 12 1 1 A 23 23 THR N N 23 111.308 115.127 -3.819 1
1 184 . 12 1 1 A 23 23 THR H H 23 9.483 8.828 0.655 1
1 185 . 12 1 1 A 23 23 THR CA C 23 63.243 63.656 -0.413 1
1 186 . 12 1 1 A 23 23 THR HA H 23 4.536 4.451 0.085 1
1 187 . 12 1 1 A 23 23 THR CB C 23 69.668 69.678 -0.010 1
1 193 . 12 1 1 A 23 23 THR C C 23 174.904 174.294 0.610 1
1 194 . 12 1 1 A 24 24 GLN N N 24 128.363 119.505 8.858 1
1 195 . 12 1 1 A 24 24 GLN H H 24 7.069 7.858 -0.789 1
1 196 . 12 1 1 A 24 24 GLN CA C 24 54.007 53.512 0.495 1
1 197 . 12 1 1 A 24 24 GLN HA H 24 4.503 4.212 0.291 1
1 198 . 12 1 1 A 24 24 GLN CB C 24 31.943 30.675 1.268 1
1 207 . 12 1 1 A 24 24 GLN C C 24 175.897 176.092 -0.195 1
1 208 . 12 1 1 A 25 25 ASN CA C 25 56.162 55.977 0.185 1
1 209 . 12 1 1 A 25 25 ASN HA H 25 3.578 4.316 -0.738 1
1 210 . 12 1 1 A 25 25 ASN CB C 25 38.265 37.396 0.869 1
1 216 . 12 1 1 A 26 26 SER CA C 26 60.828 62.041 -1.213 1
1 217 . 12 1 1 A 26 26 SER HA H 26 4.010 4.062 -0.052 1
1 218 . 12 1 1 A 26 26 SER CB C 26 61.674 62.682 -1.008 1
1 221 . 12 1 1 A 26 26 SER C C 26 177.106 176.837 0.269 1
1 222 . 12 1 1 A 27 27 HIS N N 27 121.567 119.374 2.193 1
1 223 . 12 1 1 A 27 27 HIS H H 27 6.745 7.840 -1.095 1
1 224 . 12 1 1 A 27 27 HIS CA C 27 57.025 58.674 -1.649 1
1 225 . 12 1 1 A 27 27 HIS HA H 27 4.387 4.325 0.062 1
1 226 . 12 1 1 A 27 27 HIS CB C 27 31.749 29.582 2.167 1
1 233 . 12 1 1 A 27 27 HIS C C 27 178.165 176.955 1.210 1
1 234 . 12 1 1 A 28 28 LEU N N 28 122.201 120.506 1.695 1
1 235 . 12 1 1 A 28 28 LEU H H 28 6.890 7.814 -0.924 1
1 236 . 12 1 1 A 28 28 LEU CA C 28 57.568 57.337 0.231 1
1 237 . 12 1 1 A 28 28 LEU HA H 28 3.133 2.681 0.452 1
1 238 . 12 1 1 A 28 28 LEU CB C 28 40.421 41.812 -1.391 1
1 251 . 12 1 1 A 28 28 LEU C C 28 177.398 177.946 -0.548 1
1 252 . 12 1 1 A 29 29 ALA N N 29 120.974 120.192 0.782 1
1 253 . 12 1 1 A 29 29 ALA H H 29 8.291 8.648 -0.357 1
1 254 . 12 1 1 A 29 29 ALA CA C 29 55.296 55.580 -0.284 1
1 255 . 12 1 1 A 29 29 ALA HA H 29 3.906 3.986 -0.080 1
1 256 . 12 1 1 A 29 29 ALA CB C 29 17.744 18.396 -0.652 1
1 260 . 12 1 1 A 29 29 ALA C C 29 180.489 179.627 0.862 1
1 261 . 12 1 1 A 30 30 ARG N N 30 116.427 116.968 -0.541 1
1 262 . 12 1 1 A 30 30 ARG H H 30 7.431 8.358 -0.927 1
1 263 . 12 1 1 A 30 30 ARG CA C 30 58.472 58.657 -0.185 1
1 264 . 12 1 1 A 30 30 ARG HA H 30 4.022 4.064 -0.042 1
1 265 . 12 1 1 A 30 30 ARG CB C 30 30.232 30.271 -0.039 1
1 274 . 12 1 1 A 30 30 ARG C C 30 178.403 178.411 -0.008 1
1 275 . 12 1 1 A 31 31 HIS N N 31 119.659 120.354 -0.695 1
1 276 . 12 1 1 A 31 31 HIS H H 31 7.576 7.942 -0.366 1
1 277 . 12 1 1 A 31 31 HIS CA C 31 58.796 59.823 -1.027 1
1 278 . 12 1 1 A 31 31 HIS HA H 31 4.203 4.201 0.002 1
1 279 . 12 1 1 A 31 31 HIS CB C 31 28.745 29.487 -0.742 1
1 286 . 12 1 1 A 31 31 HIS C C 31 175.860 177.174 -1.314 1
1 287 . 12 1 1 A 32 32 ARG N N 32 128.186 117.829 10.357 1
1 288 . 12 1 1 A 32 32 ARG H H 32 8.021 8.187 -0.166 1
1 289 . 12 1 1 A 32 32 ARG CA C 32 59.996 58.928 1.068 1
1 290 . 12 1 1 A 32 32 ARG HA H 32 3.735 3.979 -0.244 1
1 291 . 12 1 1 A 32 32 ARG CB C 32 30.005 29.808 0.197 1
1 300 . 12 1 1 A 32 32 ARG C C 32 178.010 179.753 -1.743 1
1 301 . 12 1 1 A 33 33 GLY N N 33 118.610 108.450 10.160 1
1 302 . 12 1 1 A 33 33 GLY H H 33 7.577 8.009 -0.432 1
1 303 . 12 1 1 A 33 33 GLY CA C 33 46.501 47.345 -0.844 1
1 304 . 12 1 1 A 33 33 GLY HA2 H 33 3.856 3.621 0.235 1
1 305 . 12 1 1 A 33 33 GLY HA3 H 33 3.976 3.641 0.335 1
1 306 . 12 1 1 A 33 33 GLY C C 33 175.874 175.908 -0.034 1
1 307 . 12 1 1 A 34 34 ILE N N 34 118.491 119.891 -1.400 1
1 308 . 12 1 1 A 34 34 ILE H H 34 7.804 8.057 -0.253 1
1 309 . 12 1 1 A 34 34 ILE CA C 34 62.728 63.868 -1.140 1
1 310 . 12 1 1 A 34 34 ILE HA H 34 4.012 3.788 0.224 1
1 311 . 12 1 1 A 34 34 ILE CB C 34 37.640 37.302 0.338 1
1 324 . 12 1 1 A 34 34 ILE C C 34 177.422 177.365 0.057 1
1 325 . 12 1 1 A 35 35 HIS N N 35 117.828 119.502 -1.674 1
1 326 . 12 1 1 A 35 35 HIS H H 35 7.323 7.385 -0.062 1
1 327 . 12 1 1 A 35 35 HIS CA C 35 55.311 57.589 -2.278 1
1 328 . 12 1 1 A 35 35 HIS HA H 35 4.861 4.480 0.381 1
1 329 . 12 1 1 A 35 35 HIS CB C 35 28.630 31.212 -2.582 1
1 336 . 12 1 1 A 35 35 HIS C C 35 175.768 175.566 0.202 1
1 337 . 12 1 1 A 36 36 THR N N 36 112.063 111.958 0.105 1
1 338 . 12 1 1 A 36 36 THR H H 36 7.784 7.768 0.016 1
1 339 . 12 1 1 A 36 36 THR CA C 36 62.436 60.150 2.286 1
1 340 . 12 1 1 A 36 36 THR HA H 36 4.330 4.635 -0.305 1
1 341 . 12 1 1 A 36 36 THR CB C 36 69.703 70.630 -0.927 1
1 347 . 12 1 1 A 36 36 THR C C 36 175.321 173.841 1.480 1
1 348 . 12 1 1 A 37 37 GLY N N 37 111.105 114.503 -3.398 1
1 349 . 12 1 1 A 37 37 GLY H H 37 8.435 8.136 0.299 1
1 350 . 12 1 1 A 37 37 GLY CA C 37 45.313 45.299 0.014 1
1 351 . 12 1 1 A 37 37 GLY HA2 H 37 3.969 4.153 -0.184 1
1 352 . 12 1 1 A 37 37 GLY HA3 H 37 3.969 4.160 -0.191 1
1 353 . 12 1 1 A 37 37 GLY C C 37 174.049 172.831 1.218 1
1 354 . 12 1 1 A 38 38 GLU N N 38 120.555 125.742 -5.187 1
1 355 . 12 1 1 A 38 38 GLU H H 38 8.211 8.194 0.017 1
1 356 . 12 1 1 A 38 38 GLU CA C 38 56.448 56.215 0.233 1
1 357 . 12 1 1 A 38 38 GLU HA H 38 4.222 4.303 -0.081 1
1 358 . 12 1 1 A 38 38 GLU CB C 38 36.225 29.856 6.369 1
1 364 . 12 1 1 A 38 38 GLU C C 38 176.258 176.308 -0.050 1
1 365 . 12 1 1 A 39 39 LYS N N 39 123.818 127.308 -3.490 1
1 366 . 12 1 1 A 39 39 LYS H H 39 8.392 8.312 0.080 1
1 367 . 12 1 1 A 39 39 LYS CA C 39 54.059 55.370 -1.311 1
1 368 . 12 1 1 A 39 39 LYS HA H 39 4.580 4.216 0.364 1
1 369 . 12 1 1 A 39 39 LYS CB C 39 32.451 31.979 0.472 1
1 381 . 12 1 1 A 39 39 LYS C C 39 174.049 174.742 -0.693 1
1 382 . 12 1 1 A 40 40 PRO CA C 40 63.172 62.623 0.549 1
1 383 . 12 1 1 A 40 40 PRO HA H 40 4.444 4.671 -0.227 1
1 384 . 12 1 1 A 40 40 PRO CB C 40 32.143 33.092 -0.949 1
1 393 . 12 1 1 A 40 40 PRO C C 40 177.021 175.519 1.502 1
1 394 . 12 1 1 A 41 41 SER N N 41 116.548 114.596 1.952 1
1 395 . 12 1 1 A 41 41 SER H H 41 8.473 8.621 -0.148 1
1 396 . 12 1 1 A 41 41 SER CA C 41 58.308 57.793 0.515 1
1 397 . 12 1 1 A 41 41 SER HA H 41 4.455 5.265 -0.810 1
1 398 . 12 1 1 A 41 41 SER CB C 41 63.988 65.743 -1.755 1
1 401 . 12 1 1 A 41 41 SER C C 41 177.006 173.240 3.766 1
1 402 . 12 1 1 A 42 42 GLY CA C 42 44.654 44.639 0.015 1
1 403 . 12 1 1 A 42 42 GLY HA2 H 42 4.086 4.234 -0.148 1
1 404 . 12 1 1 A 42 42 GLY HA3 H 42 4.125 4.237 -0.112 1
1 405 . 12 1 1 A 43 43 PRO CA C 43 63.217 64.139 -0.922 1
1 406 . 12 1 1 A 43 43 PRO HA H 43 4.445 4.491 -0.046 1
1 407 . 12 1 1 A 43 43 PRO CB C 43 32.196 31.927 0.269 1
1 416 . 12 1 1 A 45 45 SER CA C 45 58.418 56.356 2.062 1
1 417 . 12 1 1 A 45 45 SER HA H 45 4.478 4.903 -0.425 1
1 418 . 12 1 1 A 45 45 SER CB C 45 63.838 65.846 -2.008 1
1 420 . 12 1 1 A 45 45 SER C C 45 173.908 173.334 0.574 1
1 1 . 13 1 1 A 8 8 THR N N 8 112.857 115.768 -2.911 1
1 2 . 13 1 1 A 8 8 THR H H 8 8.147 8.144 0.003 1
1 3 . 13 1 1 A 8 8 THR CA C 8 61.875 61.249 0.626 1
1 4 . 13 1 1 A 8 8 THR HA H 8 4.345 4.606 -0.261 1
1 5 . 13 1 1 A 8 8 THR CB C 8 70.012 70.296 -0.284 1
1 11 . 13 1 1 A 8 8 THR C C 8 175.287 174.910 0.377 1
1 12 . 13 1 1 A 9 9 GLY N N 9 110.887 114.833 -3.946 1
1 13 . 13 1 1 A 9 9 GLY H H 9 8.241 8.474 -0.233 1
1 14 . 13 1 1 A 9 9 GLY CA C 9 45.373 45.751 -0.378 1
1 15 . 13 1 1 A 9 9 GLY HA2 H 9 4.009 3.997 0.012 1
1 16 . 13 1 1 A 9 9 GLY HA3 H 9 3.917 3.999 -0.082 1
1 17 . 13 1 1 A 9 9 GLY C C 9 174.121 173.201 0.920 1
1 18 . 13 1 1 A 10 10 GLU N N 10 120.584 120.470 0.114 1
1 19 . 13 1 1 A 10 10 GLU H H 10 8.075 8.789 -0.714 1
1 20 . 13 1 1 A 10 10 GLU CA C 10 56.436 55.422 1.014 1
1 21 . 13 1 1 A 10 10 GLU HA H 10 4.224 5.026 -0.802 1
1 22 . 13 1 1 A 10 10 GLU CB C 10 30.465 30.887 -0.422 1
1 28 . 13 1 1 A 10 10 GLU C C 10 176.282 175.183 1.099 1
1 29 . 13 1 1 A 11 11 LYS N N 11 123.004 125.962 -2.958 1
1 30 . 13 1 1 A 11 11 LYS H H 11 8.295 8.705 -0.410 1
1 31 . 13 1 1 A 11 11 LYS CA C 11 53.874 54.166 -0.292 1
1 32 . 13 1 1 A 11 11 LYS HA H 11 4.515 4.530 -0.015 1
1 33 . 13 1 1 A 11 11 LYS CB C 11 32.609 31.838 0.771 1
1 45 . 13 1 1 A 11 11 LYS C C 11 174.534 176.475 -1.941 1
1 46 . 13 1 1 A 12 12 PRO CA C 12 62.928 63.959 -1.031 1
1 47 . 13 1 1 A 12 12 PRO HA H 12 4.296 4.414 -0.118 1
1 48 . 13 1 1 A 12 12 PRO CB C 12 32.274 31.209 1.065 1
1 57 . 13 1 1 A 12 12 PRO C C 12 176.489 175.603 0.886 1
1 58 . 13 1 1 A 13 13 TYR N N 13 119.870 119.617 0.253 1
1 59 . 13 1 1 A 13 13 TYR H H 13 8.106 7.572 0.534 1
1 60 . 13 1 1 A 13 13 TYR CA C 13 57.209 57.086 0.123 1
1 61 . 13 1 1 A 13 13 TYR HA H 13 4.588 5.312 -0.724 1
1 62 . 13 1 1 A 13 13 TYR CB C 13 38.107 40.709 -2.602 1
1 73 . 13 1 1 A 13 13 TYR C C 13 174.089 174.400 -0.311 1
1 74 . 13 1 1 A 14 14 LYS N N 14 124.673 123.812 0.861 1
1 75 . 13 1 1 A 14 14 LYS H H 14 8.358 8.932 -0.574 1
1 76 . 13 1 1 A 14 14 LYS CA C 14 54.730 55.379 -0.649 1
1 77 . 13 1 1 A 14 14 LYS HA H 14 5.077 5.018 0.059 1
1 78 . 13 1 1 A 14 14 LYS CB C 14 36.068 36.308 -0.240 1
1 90 . 13 1 1 A 14 14 LYS C C 14 175.181 174.527 0.654 1
1 91 . 13 1 1 A 15 15 CYS N N 15 127.857 124.637 3.220 1
1 92 . 13 1 1 A 15 15 CYS H H 15 9.307 9.456 -0.149 1
1 93 . 13 1 1 A 15 15 CYS CA C 15 59.474 59.762 -0.288 1
1 94 . 13 1 1 A 15 15 CYS HA H 15 4.524 4.708 -0.184 1
1 95 . 13 1 1 A 15 15 CYS CB C 15 29.634 28.788 0.846 1
1 98 . 13 1 1 A 15 15 CYS C C 15 176.857 174.836 2.021 1
1 99 . 13 1 1 A 16 16 ASN CA C 16 55.608 54.179 1.429 1
1 100 . 13 1 1 A 16 16 ASN HA H 16 4.497 4.880 -0.383 1
1 101 . 13 1 1 A 16 16 ASN CB C 16 38.265 39.215 -0.950 1
1 107 . 13 1 1 A 16 16 ASN C C 16 175.434 177.218 -1.784 1
1 108 . 13 1 1 A 17 17 GLU N N 17 120.770 120.678 0.092 1
1 109 . 13 1 1 A 17 17 GLU H H 17 8.702 7.864 0.838 1
1 110 . 13 1 1 A 17 17 GLU CA C 17 58.818 58.919 -0.101 1
1 111 . 13 1 1 A 17 17 GLU HA H 17 4.184 3.948 0.236 1
1 112 . 13 1 1 A 17 17 GLU CB C 17 29.358 28.422 0.936 1
1 118 . 13 1 1 A 17 17 GLU C C 17 177.178 177.976 -0.798 1
1 119 . 13 1 1 A 18 18 CYS N N 18 127.684 114.926 12.758 1
1 120 . 13 1 1 A 18 18 CYS H H 18 7.913 7.552 0.361 1
1 121 . 13 1 1 A 18 18 CYS CA C 18 58.271 59.526 -1.255 1
1 122 . 13 1 1 A 18 18 CYS HA H 18 5.140 4.603 0.537 1
1 123 . 13 1 1 A 18 18 CYS CB C 18 32.384 29.863 2.521 1
1 126 . 13 1 1 A 18 18 CYS C C 18 176.250 175.437 0.813 1
1 127 . 13 1 1 A 19 19 GLY N N 19 113.588 110.337 3.251 1
1 128 . 13 1 1 A 19 19 GLY H H 19 8.163 8.143 0.020 1
1 129 . 13 1 1 A 19 19 GLY CA C 19 46.206 45.110 1.096 1
1 130 . 13 1 1 A 19 19 GLY HA2 H 19 4.213 4.073 0.140 1
1 131 . 13 1 1 A 19 19 GLY HA3 H 19 3.710 4.093 -0.383 1
1 132 . 13 1 1 A 19 19 GLY C C 19 173.538 174.657 -1.119 1
1 133 . 13 1 1 A 20 20 LYS N N 20 122.672 122.320 0.352 1
1 134 . 13 1 1 A 20 20 LYS H H 20 7.898 7.581 0.317 1
1 135 . 13 1 1 A 20 20 LYS CA C 20 58.243 56.078 2.165 1
1 136 . 13 1 1 A 20 20 LYS HA H 20 3.956 4.249 -0.293 1
1 137 . 13 1 1 A 20 20 LYS CB C 20 33.796 33.637 0.159 1
1 149 . 13 1 1 A 20 20 LYS C C 20 174.305 175.467 -1.162 1
1 150 . 13 1 1 A 21 21 VAL N N 21 117.669 124.431 -6.762 1
1 151 . 13 1 1 A 21 21 VAL H H 21 7.616 7.867 -0.251 1
1 152 . 13 1 1 A 21 21 VAL CA C 21 60.531 60.443 0.088 1
1 153 . 13 1 1 A 21 21 VAL HA H 21 4.729 4.952 -0.223 1
1 154 . 13 1 1 A 21 21 VAL CB C 21 33.937 35.637 -1.700 1
1 164 . 13 1 1 A 21 21 VAL C C 21 175.221 174.106 1.115 1
1 165 . 13 1 1 A 22 22 PHE N N 22 121.686 123.982 -2.296 1
1 166 . 13 1 1 A 22 22 PHE H H 22 8.732 8.848 -0.116 1
1 167 . 13 1 1 A 22 22 PHE CA C 22 56.827 56.339 0.488 1
1 168 . 13 1 1 A 22 22 PHE HA H 22 4.874 5.034 -0.160 1
1 169 . 13 1 1 A 22 22 PHE CB C 22 43.461 43.856 -0.395 1
1 182 . 13 1 1 A 22 22 PHE C C 22 175.698 175.466 0.232 1
1 183 . 13 1 1 A 23 23 THR N N 23 111.308 115.032 -3.724 1
1 184 . 13 1 1 A 23 23 THR H H 23 9.483 8.667 0.816 1
1 185 . 13 1 1 A 23 23 THR CA C 23 63.243 63.128 0.115 1
1 186 . 13 1 1 A 23 23 THR HA H 23 4.536 4.523 0.013 1
1 187 . 13 1 1 A 23 23 THR CB C 23 69.668 69.801 -0.133 1
1 193 . 13 1 1 A 23 23 THR C C 23 174.904 174.113 0.791 1
1 194 . 13 1 1 A 24 24 GLN N N 24 128.363 118.788 9.575 1
1 195 . 13 1 1 A 24 24 GLN H H 24 7.069 7.422 -0.353 1
1 196 . 13 1 1 A 24 24 GLN CA C 24 54.007 53.949 0.058 1
1 197 . 13 1 1 A 24 24 GLN HA H 24 4.503 4.285 0.218 1
1 198 . 13 1 1 A 24 24 GLN CB C 24 31.943 30.887 1.056 1
1 207 . 13 1 1 A 24 24 GLN C C 24 175.897 175.515 0.382 1
1 208 . 13 1 1 A 25 25 ASN CA C 25 56.162 55.822 0.340 1
1 209 . 13 1 1 A 25 25 ASN HA H 25 3.578 4.132 -0.554 1
1 210 . 13 1 1 A 25 25 ASN CB C 25 38.265 38.065 0.200 1
1 216 . 13 1 1 A 26 26 SER CA C 26 60.828 62.398 -1.570 1
1 217 . 13 1 1 A 26 26 SER HA H 26 4.010 4.114 -0.104 1
1 218 . 13 1 1 A 26 26 SER CB C 26 61.674 63.058 -1.384 1
1 221 . 13 1 1 A 26 26 SER C C 26 177.106 176.519 0.587 1
1 222 . 13 1 1 A 27 27 HIS N N 27 121.567 119.408 2.159 1
1 223 . 13 1 1 A 27 27 HIS H H 27 6.745 7.948 -1.203 1
1 224 . 13 1 1 A 27 27 HIS CA C 27 57.025 59.007 -1.982 1
1 225 . 13 1 1 A 27 27 HIS HA H 27 4.387 4.290 0.097 1
1 226 . 13 1 1 A 27 27 HIS CB C 27 31.749 29.541 2.208 1
1 233 . 13 1 1 A 27 27 HIS C C 27 178.165 177.516 0.649 1
1 234 . 13 1 1 A 28 28 LEU N N 28 122.201 120.787 1.414 1
1 235 . 13 1 1 A 28 28 LEU H H 28 6.890 7.712 -0.822 1
1 236 . 13 1 1 A 28 28 LEU CA C 28 57.568 57.152 0.416 1
1 237 . 13 1 1 A 28 28 LEU HA H 28 3.133 2.671 0.462 1
1 238 . 13 1 1 A 28 28 LEU CB C 28 40.421 41.688 -1.267 1
1 251 . 13 1 1 A 28 28 LEU C C 28 177.398 177.903 -0.505 1
1 252 . 13 1 1 A 29 29 ALA N N 29 120.974 120.832 0.142 1
1 253 . 13 1 1 A 29 29 ALA H H 29 8.291 8.422 -0.131 1
1 254 . 13 1 1 A 29 29 ALA CA C 29 55.296 55.697 -0.401 1
1 255 . 13 1 1 A 29 29 ALA HA H 29 3.906 4.053 -0.147 1
1 256 . 13 1 1 A 29 29 ALA CB C 29 17.744 18.276 -0.532 1
1 260 . 13 1 1 A 29 29 ALA C C 29 180.489 179.467 1.022 1
1 261 . 13 1 1 A 30 30 ARG N N 30 116.427 117.230 -0.803 1
1 262 . 13 1 1 A 30 30 ARG H H 30 7.431 8.152 -0.721 1
1 263 . 13 1 1 A 30 30 ARG CA C 30 58.472 58.494 -0.022 1
1 264 . 13 1 1 A 30 30 ARG HA H 30 4.022 4.064 -0.042 1
1 265 . 13 1 1 A 30 30 ARG CB C 30 30.232 29.914 0.318 1
1 274 . 13 1 1 A 30 30 ARG C C 30 178.403 178.389 0.014 1
1 275 . 13 1 1 A 31 31 HIS N N 31 119.659 120.179 -0.520 1
1 276 . 13 1 1 A 31 31 HIS H H 31 7.576 7.999 -0.423 1
1 277 . 13 1 1 A 31 31 HIS CA C 31 58.796 59.656 -0.860 1
1 278 . 13 1 1 A 31 31 HIS HA H 31 4.203 4.180 0.023 1
1 279 . 13 1 1 A 31 31 HIS CB C 31 28.745 29.874 -1.129 1
1 286 . 13 1 1 A 31 31 HIS C C 31 175.860 177.255 -1.395 1
1 287 . 13 1 1 A 32 32 ARG N N 32 128.186 117.666 10.520 1
1 288 . 13 1 1 A 32 32 ARG H H 32 8.021 8.090 -0.069 1
1 289 . 13 1 1 A 32 32 ARG CA C 32 59.996 58.933 1.063 1
1 290 . 13 1 1 A 32 32 ARG HA H 32 3.735 3.879 -0.144 1
1 291 . 13 1 1 A 32 32 ARG CB C 32 30.005 29.877 0.128 1
1 300 . 13 1 1 A 32 32 ARG C C 32 178.010 179.825 -1.815 1
1 301 . 13 1 1 A 33 33 GLY N N 33 118.610 108.059 10.551 1
1 302 . 13 1 1 A 33 33 GLY H H 33 7.577 8.180 -0.603 1
1 303 . 13 1 1 A 33 33 GLY CA C 33 46.501 47.291 -0.790 1
1 304 . 13 1 1 A 33 33 GLY HA2 H 33 3.856 3.568 0.288 1
1 305 . 13 1 1 A 33 33 GLY HA3 H 33 3.976 3.589 0.387 1
1 306 . 13 1 1 A 33 33 GLY C C 33 175.874 176.046 -0.172 1
1 307 . 13 1 1 A 34 34 ILE N N 34 118.491 119.818 -1.327 1
1 308 . 13 1 1 A 34 34 ILE H H 34 7.804 8.017 -0.213 1
1 309 . 13 1 1 A 34 34 ILE CA C 34 62.728 63.917 -1.189 1
1 310 . 13 1 1 A 34 34 ILE HA H 34 4.012 3.748 0.264 1
1 311 . 13 1 1 A 34 34 ILE CB C 34 37.640 37.249 0.391 1
1 324 . 13 1 1 A 34 34 ILE C C 34 177.422 177.504 -0.082 1
1 325 . 13 1 1 A 35 35 HIS N N 35 117.828 119.838 -2.010 1
1 326 . 13 1 1 A 35 35 HIS H H 35 7.323 7.098 0.225 1
1 327 . 13 1 1 A 35 35 HIS CA C 35 55.311 59.216 -3.905 1
1 328 . 13 1 1 A 35 35 HIS HA H 35 4.861 4.443 0.418 1
1 329 . 13 1 1 A 35 35 HIS CB C 35 28.630 31.166 -2.536 1
1 336 . 13 1 1 A 35 35 HIS C C 35 175.768 176.221 -0.453 1
1 337 . 13 1 1 A 36 36 THR N N 36 112.063 110.106 1.957 1
1 338 . 13 1 1 A 36 36 THR H H 36 7.784 7.356 0.428 1
1 339 . 13 1 1 A 36 36 THR CA C 36 62.436 60.865 1.571 1
1 340 . 13 1 1 A 36 36 THR HA H 36 4.330 4.333 -0.003 1
1 341 . 13 1 1 A 36 36 THR CB C 36 69.703 68.551 1.152 1
1 347 . 13 1 1 A 36 36 THR C C 36 175.321 174.667 0.654 1
1 348 . 13 1 1 A 37 37 GLY N N 37 111.105 111.405 -0.300 1
1 349 . 13 1 1 A 37 37 GLY H H 37 8.435 7.934 0.501 1
1 350 . 13 1 1 A 37 37 GLY CA C 37 45.313 45.885 -0.572 1
1 351 . 13 1 1 A 37 37 GLY HA2 H 37 3.969 3.983 -0.014 1
1 352 . 13 1 1 A 37 37 GLY HA3 H 37 3.969 3.987 -0.018 1
1 353 . 13 1 1 A 37 37 GLY C C 37 174.049 173.995 0.054 1
1 354 . 13 1 1 A 38 38 GLU N N 38 120.555 119.460 1.095 1
1 355 . 13 1 1 A 38 38 GLU H H 38 8.211 8.088 0.123 1
1 356 . 13 1 1 A 38 38 GLU CA C 38 56.448 55.153 1.295 1
1 357 . 13 1 1 A 38 38 GLU HA H 38 4.222 4.633 -0.411 1
1 358 . 13 1 1 A 38 38 GLU CB C 38 36.225 30.304 5.921 1
1 364 . 13 1 1 A 38 38 GLU C C 38 176.258 176.831 -0.573 1
1 365 . 13 1 1 A 39 39 LYS N N 39 123.818 124.940 -1.122 1
1 366 . 13 1 1 A 39 39 LYS H H 39 8.392 8.429 -0.037 1
1 367 . 13 1 1 A 39 39 LYS CA C 39 54.059 61.457 -7.398 1
1 368 . 13 1 1 A 39 39 LYS HA H 39 4.580 4.093 0.487 1
1 369 . 13 1 1 A 39 39 LYS CB C 39 32.451 30.502 1.949 1
1 381 . 13 1 1 A 39 39 LYS C C 39 174.049 177.140 -3.091 1
1 382 . 13 1 1 A 40 40 PRO CA C 40 63.172 62.834 0.338 1
1 383 . 13 1 1 A 40 40 PRO HA H 40 4.444 4.515 -0.071 1
1 384 . 13 1 1 A 40 40 PRO CB C 40 32.143 31.627 0.516 1
1 393 . 13 1 1 A 40 40 PRO C C 40 177.021 176.246 0.775 1
1 394 . 13 1 1 A 41 41 SER N N 41 116.548 118.070 -1.522 1
1 395 . 13 1 1 A 41 41 SER H H 41 8.473 8.551 -0.078 1
1 396 . 13 1 1 A 41 41 SER CA C 41 58.308 59.017 -0.709 1
1 397 . 13 1 1 A 41 41 SER HA H 41 4.455 4.693 -0.238 1
1 398 . 13 1 1 A 41 41 SER CB C 41 63.988 63.791 0.197 1
1 401 . 13 1 1 A 41 41 SER C C 41 177.006 174.291 2.715 1
1 402 . 13 1 1 A 42 42 GLY CA C 42 44.654 44.723 -0.069 1
1 403 . 13 1 1 A 42 42 GLY HA2 H 42 4.086 4.183 -0.097 1
1 404 . 13 1 1 A 42 42 GLY HA3 H 42 4.125 4.183 -0.058 1
1 405 . 13 1 1 A 43 43 PRO CA C 43 63.217 62.795 0.422 1
1 406 . 13 1 1 A 43 43 PRO HA H 43 4.445 4.732 -0.287 1
1 407 . 13 1 1 A 43 43 PRO CB C 43 32.196 31.511 0.685 1
1 416 . 13 1 1 A 45 45 SER CA C 45 58.418 60.354 -1.936 1
1 417 . 13 1 1 A 45 45 SER HA H 45 4.478 4.125 0.353 1
1 418 . 13 1 1 A 45 45 SER CB C 45 63.838 64.371 -0.533 1
1 420 . 13 1 1 A 45 45 SER C C 45 173.908 175.452 -1.544 1
1 1 . 14 1 1 A 8 8 THR N N 8 112.857 116.310 -3.453 1
1 2 . 14 1 1 A 8 8 THR H H 8 8.147 8.819 -0.672 1
1 3 . 14 1 1 A 8 8 THR CA C 8 61.875 61.690 0.185 1
1 4 . 14 1 1 A 8 8 THR HA H 8 4.345 4.565 -0.220 1
1 5 . 14 1 1 A 8 8 THR CB C 8 70.012 69.583 0.429 1
1 11 . 14 1 1 A 8 8 THR C C 8 175.287 174.699 0.588 1
1 12 . 14 1 1 A 9 9 GLY N N 9 110.887 109.766 1.121 1
1 13 . 14 1 1 A 9 9 GLY H H 9 8.241 8.832 -0.591 1
1 14 . 14 1 1 A 9 9 GLY CA C 9 45.373 47.473 -2.100 1
1 15 . 14 1 1 A 9 9 GLY HA2 H 9 4.009 3.821 0.188 1
1 16 . 14 1 1 A 9 9 GLY HA3 H 9 3.917 3.824 0.093 1
1 17 . 14 1 1 A 9 9 GLY C C 9 174.121 174.052 0.069 1
1 18 . 14 1 1 A 10 10 GLU N N 10 120.584 119.088 1.496 1
1 19 . 14 1 1 A 10 10 GLU H H 10 8.075 8.011 0.064 1
1 20 . 14 1 1 A 10 10 GLU CA C 10 56.436 54.608 1.828 1
1 21 . 14 1 1 A 10 10 GLU HA H 10 4.224 4.988 -0.764 1
1 22 . 14 1 1 A 10 10 GLU CB C 10 30.465 31.577 -1.112 1
1 28 . 14 1 1 A 10 10 GLU C C 10 176.282 175.416 0.866 1
1 29 . 14 1 1 A 11 11 LYS N N 11 123.004 120.272 2.732 1
1 30 . 14 1 1 A 11 11 LYS H H 11 8.295 8.500 -0.205 1
1 31 . 14 1 1 A 11 11 LYS CA C 11 53.874 53.265 0.609 1
1 32 . 14 1 1 A 11 11 LYS HA H 11 4.515 4.843 -0.328 1
1 33 . 14 1 1 A 11 11 LYS CB C 11 32.609 33.174 -0.565 1
1 45 . 14 1 1 A 11 11 LYS C C 11 174.534 176.452 -1.918 1
1 46 . 14 1 1 A 12 12 PRO CA C 12 62.928 64.216 -1.288 1
1 47 . 14 1 1 A 12 12 PRO HA H 12 4.296 4.416 -0.120 1
1 48 . 14 1 1 A 12 12 PRO CB C 12 32.274 31.499 0.775 1
1 57 . 14 1 1 A 12 12 PRO C C 12 176.489 175.981 0.508 1
1 58 . 14 1 1 A 13 13 TYR N N 13 119.870 116.967 2.903 1
1 59 . 14 1 1 A 13 13 TYR H H 13 8.106 8.077 0.029 1
1 60 . 14 1 1 A 13 13 TYR CA C 13 57.209 56.904 0.305 1
1 61 . 14 1 1 A 13 13 TYR HA H 13 4.588 4.875 -0.287 1
1 62 . 14 1 1 A 13 13 TYR CB C 13 38.107 38.012 0.095 1
1 73 . 14 1 1 A 13 13 TYR C C 13 174.089 175.399 -1.310 1
1 74 . 14 1 1 A 14 14 LYS N N 14 124.673 121.792 2.881 1
1 75 . 14 1 1 A 14 14 LYS H H 14 8.358 7.731 0.627 1
1 76 . 14 1 1 A 14 14 LYS CA C 14 54.730 55.609 -0.879 1
1 77 . 14 1 1 A 14 14 LYS HA H 14 5.077 5.082 -0.005 1
1 78 . 14 1 1 A 14 14 LYS CB C 14 36.068 33.965 2.103 1
1 90 . 14 1 1 A 14 14 LYS C C 14 175.181 176.546 -1.365 1
1 91 . 14 1 1 A 15 15 CYS N N 15 127.857 125.384 2.473 1
1 92 . 14 1 1 A 15 15 CYS H H 15 9.307 9.216 0.091 1
1 93 . 14 1 1 A 15 15 CYS CA C 15 59.474 59.841 -0.367 1
1 94 . 14 1 1 A 15 15 CYS HA H 15 4.524 4.632 -0.108 1
1 95 . 14 1 1 A 15 15 CYS CB C 15 29.634 28.664 0.970 1
1 98 . 14 1 1 A 15 15 CYS C C 15 176.857 174.822 2.035 1
1 99 . 14 1 1 A 16 16 ASN CA C 16 55.608 54.161 1.447 1
1 100 . 14 1 1 A 16 16 ASN HA H 16 4.497 4.851 -0.354 1
1 101 . 14 1 1 A 16 16 ASN CB C 16 38.265 39.207 -0.942 1
1 107 . 14 1 1 A 16 16 ASN C C 16 175.434 177.217 -1.783 1
1 108 . 14 1 1 A 17 17 GLU N N 17 120.770 120.438 0.332 1
1 109 . 14 1 1 A 17 17 GLU H H 17 8.702 7.862 0.840 1
1 110 . 14 1 1 A 17 17 GLU CA C 17 58.818 59.033 -0.215 1
1 111 . 14 1 1 A 17 17 GLU HA H 17 4.184 3.926 0.258 1
1 112 . 14 1 1 A 17 17 GLU CB C 17 29.358 28.527 0.831 1
1 118 . 14 1 1 A 17 17 GLU C C 17 177.178 178.111 -0.933 1
1 119 . 14 1 1 A 18 18 CYS N N 18 127.684 114.918 12.766 1
1 120 . 14 1 1 A 18 18 CYS H H 18 7.913 7.392 0.521 1
1 121 . 14 1 1 A 18 18 CYS CA C 18 58.271 59.740 -1.469 1
1 122 . 14 1 1 A 18 18 CYS HA H 18 5.140 4.571 0.569 1
1 123 . 14 1 1 A 18 18 CYS CB C 18 32.384 29.551 2.833 1
1 126 . 14 1 1 A 18 18 CYS C C 18 176.250 175.228 1.022 1
1 127 . 14 1 1 A 19 19 GLY N N 19 113.588 110.232 3.356 1
1 128 . 14 1 1 A 19 19 GLY H H 19 8.163 8.050 0.113 1
1 129 . 14 1 1 A 19 19 GLY CA C 19 46.206 45.208 0.998 1
1 130 . 14 1 1 A 19 19 GLY HA2 H 19 4.213 4.080 0.133 1
1 131 . 14 1 1 A 19 19 GLY HA3 H 19 3.710 4.096 -0.386 1
1 132 . 14 1 1 A 19 19 GLY C C 19 173.538 174.519 -0.981 1
1 133 . 14 1 1 A 20 20 LYS N N 20 122.672 121.921 0.751 1
1 134 . 14 1 1 A 20 20 LYS H H 20 7.898 8.003 -0.105 1
1 135 . 14 1 1 A 20 20 LYS CA C 20 58.243 55.669 2.574 1
1 136 . 14 1 1 A 20 20 LYS HA H 20 3.956 4.352 -0.396 1
1 137 . 14 1 1 A 20 20 LYS CB C 20 33.796 33.607 0.189 1
1 149 . 14 1 1 A 20 20 LYS C C 20 174.305 175.300 -0.995 1
1 150 . 14 1 1 A 21 21 VAL N N 21 117.669 124.677 -7.008 1
1 151 . 14 1 1 A 21 21 VAL H H 21 7.616 7.944 -0.328 1
1 152 . 14 1 1 A 21 21 VAL CA C 21 60.531 60.815 -0.284 1
1 153 . 14 1 1 A 21 21 VAL HA H 21 4.729 4.977 -0.248 1
1 154 . 14 1 1 A 21 21 VAL CB C 21 33.937 35.049 -1.112 1
1 164 . 14 1 1 A 21 21 VAL C C 21 175.221 174.451 0.770 1
1 165 . 14 1 1 A 22 22 PHE N N 22 121.686 124.526 -2.840 1
1 166 . 14 1 1 A 22 22 PHE H H 22 8.732 8.934 -0.202 1
1 167 . 14 1 1 A 22 22 PHE CA C 22 56.827 56.266 0.561 1
1 168 . 14 1 1 A 22 22 PHE HA H 22 4.874 5.052 -0.178 1
1 169 . 14 1 1 A 22 22 PHE CB C 22 43.461 43.793 -0.332 1
1 182 . 14 1 1 A 22 22 PHE C C 22 175.698 175.680 0.018 1
1 183 . 14 1 1 A 23 23 THR N N 23 111.308 115.145 -3.837 1
1 184 . 14 1 1 A 23 23 THR H H 23 9.483 8.800 0.683 1
1 185 . 14 1 1 A 23 23 THR CA C 23 63.243 63.688 -0.445 1
1 186 . 14 1 1 A 23 23 THR HA H 23 4.536 4.330 0.206 1
1 187 . 14 1 1 A 23 23 THR CB C 23 69.668 69.573 0.095 1
1 193 . 14 1 1 A 23 23 THR C C 23 174.904 174.244 0.660 1
1 194 . 14 1 1 A 24 24 GLN N N 24 128.363 119.301 9.062 1
1 195 . 14 1 1 A 24 24 GLN H H 24 7.069 7.381 -0.312 1
1 196 . 14 1 1 A 24 24 GLN CA C 24 54.007 54.110 -0.103 1
1 197 . 14 1 1 A 24 24 GLN HA H 24 4.503 4.141 0.362 1
1 198 . 14 1 1 A 24 24 GLN CB C 24 31.943 30.366 1.577 1
1 207 . 14 1 1 A 24 24 GLN C C 24 175.897 176.582 -0.685 1
1 208 . 14 1 1 A 25 25 ASN CA C 25 56.162 56.179 -0.017 1
1 209 . 14 1 1 A 25 25 ASN HA H 25 3.578 4.581 -1.003 1
1 210 . 14 1 1 A 25 25 ASN CB C 25 38.265 37.544 0.721 1
1 216 . 14 1 1 A 26 26 SER CA C 26 60.828 61.607 -0.779 1
1 217 . 14 1 1 A 26 26 SER HA H 26 4.010 4.052 -0.042 1
1 218 . 14 1 1 A 26 26 SER CB C 26 61.674 63.178 -1.504 1
1 221 . 14 1 1 A 26 26 SER C C 26 177.106 177.403 -0.297 1
1 222 . 14 1 1 A 27 27 HIS N N 27 121.567 119.455 2.112 1
1 223 . 14 1 1 A 27 27 HIS H H 27 6.745 7.754 -1.009 1
1 224 . 14 1 1 A 27 27 HIS CA C 27 57.025 58.688 -1.663 1
1 225 . 14 1 1 A 27 27 HIS HA H 27 4.387 4.296 0.091 1
1 226 . 14 1 1 A 27 27 HIS CB C 27 31.749 29.531 2.218 1
1 233 . 14 1 1 A 27 27 HIS C C 27 178.165 177.188 0.977 1
1 234 . 14 1 1 A 28 28 LEU N N 28 122.201 120.466 1.735 1
1 235 . 14 1 1 A 28 28 LEU H H 28 6.890 7.482 -0.592 1
1 236 . 14 1 1 A 28 28 LEU CA C 28 57.568 57.521 0.047 1
1 237 . 14 1 1 A 28 28 LEU HA H 28 3.133 2.809 0.324 1
1 238 . 14 1 1 A 28 28 LEU CB C 28 40.421 41.966 -1.545 1
1 251 . 14 1 1 A 28 28 LEU C C 28 177.398 177.927 -0.529 1
1 252 . 14 1 1 A 29 29 ALA N N 29 120.974 120.306 0.668 1
1 253 . 14 1 1 A 29 29 ALA H H 29 8.291 8.703 -0.412 1
1 254 . 14 1 1 A 29 29 ALA CA C 29 55.296 55.478 -0.182 1
1 255 . 14 1 1 A 29 29 ALA HA H 29 3.906 4.025 -0.119 1
1 256 . 14 1 1 A 29 29 ALA CB C 29 17.744 18.483 -0.739 1
1 260 . 14 1 1 A 29 29 ALA C C 29 180.489 179.712 0.777 1
1 261 . 14 1 1 A 30 30 ARG N N 30 116.427 117.045 -0.618 1
1 262 . 14 1 1 A 30 30 ARG H H 30 7.431 8.258 -0.827 1
1 263 . 14 1 1 A 30 30 ARG CA C 30 58.472 58.613 -0.141 1
1 264 . 14 1 1 A 30 30 ARG HA H 30 4.022 4.069 -0.047 1
1 265 . 14 1 1 A 30 30 ARG CB C 30 30.232 30.262 -0.030 1
1 274 . 14 1 1 A 30 30 ARG C C 30 178.403 178.370 0.033 1
1 275 . 14 1 1 A 31 31 HIS N N 31 119.659 120.284 -0.625 1
1 276 . 14 1 1 A 31 31 HIS H H 31 7.576 8.028 -0.452 1
1 277 . 14 1 1 A 31 31 HIS CA C 31 58.796 59.830 -1.034 1
1 278 . 14 1 1 A 31 31 HIS HA H 31 4.203 4.191 0.012 1
1 279 . 14 1 1 A 31 31 HIS CB C 31 28.745 29.645 -0.900 1
1 286 . 14 1 1 A 31 31 HIS C C 31 175.860 177.083 -1.223 1
1 287 . 14 1 1 A 32 32 ARG N N 32 128.186 117.714 10.472 1
1 288 . 14 1 1 A 32 32 ARG H H 32 8.021 8.411 -0.390 1
1 289 . 14 1 1 A 32 32 ARG CA C 32 59.996 58.972 1.024 1
1 290 . 14 1 1 A 32 32 ARG HA H 32 3.735 3.943 -0.208 1
1 291 . 14 1 1 A 32 32 ARG CB C 32 30.005 29.884 0.121 1
1 300 . 14 1 1 A 32 32 ARG C C 32 178.010 179.745 -1.735 1
1 301 . 14 1 1 A 33 33 GLY N N 33 118.610 108.078 10.532 1
1 302 . 14 1 1 A 33 33 GLY H H 33 7.577 7.813 -0.236 1
1 303 . 14 1 1 A 33 33 GLY CA C 33 46.501 47.114 -0.613 1
1 304 . 14 1 1 A 33 33 GLY HA2 H 33 3.856 3.576 0.280 1
1 305 . 14 1 1 A 33 33 GLY HA3 H 33 3.976 3.597 0.379 1
1 306 . 14 1 1 A 33 33 GLY C C 33 175.874 175.952 -0.078 1
1 307 . 14 1 1 A 34 34 ILE N N 34 118.491 119.404 -0.913 1
1 308 . 14 1 1 A 34 34 ILE H H 34 7.804 7.959 -0.155 1
1 309 . 14 1 1 A 34 34 ILE CA C 34 62.728 63.694 -0.966 1
1 310 . 14 1 1 A 34 34 ILE HA H 34 4.012 3.769 0.243 1
1 311 . 14 1 1 A 34 34 ILE CB C 34 37.640 37.282 0.358 1
1 324 . 14 1 1 A 34 34 ILE C C 34 177.422 176.431 0.991 1
1 325 . 14 1 1 A 35 35 HIS N N 35 117.828 119.597 -1.769 1
1 326 . 14 1 1 A 35 35 HIS H H 35 7.323 7.335 -0.012 1
1 327 . 14 1 1 A 35 35 HIS CA C 35 55.311 55.648 -0.337 1
1 328 . 14 1 1 A 35 35 HIS HA H 35 4.861 4.656 0.205 1
1 329 . 14 1 1 A 35 35 HIS CB C 35 28.630 30.148 -1.518 1
1 336 . 14 1 1 A 35 35 HIS C C 35 175.768 174.621 1.147 1
1 337 . 14 1 1 A 36 36 THR N N 36 112.063 112.566 -0.503 1
1 338 . 14 1 1 A 36 36 THR H H 36 7.784 7.904 -0.120 1
1 339 . 14 1 1 A 36 36 THR CA C 36 62.436 60.504 1.932 1
1 340 . 14 1 1 A 36 36 THR HA H 36 4.330 4.531 -0.201 1
1 341 . 14 1 1 A 36 36 THR CB C 36 69.703 69.752 -0.049 1
1 347 . 14 1 1 A 36 36 THR C C 36 175.321 172.014 3.307 1
1 348 . 14 1 1 A 37 37 GLY N N 37 111.105 112.822 -1.717 1
1 349 . 14 1 1 A 37 37 GLY H H 37 8.435 8.869 -0.434 1
1 350 . 14 1 1 A 37 37 GLY CA C 37 45.313 44.990 0.323 1
1 351 . 14 1 1 A 37 37 GLY HA2 H 37 3.969 4.145 -0.176 1
1 352 . 14 1 1 A 37 37 GLY HA3 H 37 3.969 4.151 -0.182 1
1 353 . 14 1 1 A 37 37 GLY C C 37 174.049 173.769 0.280 1
1 354 . 14 1 1 A 38 38 GLU N N 38 120.555 126.751 -6.196 1
1 355 . 14 1 1 A 38 38 GLU H H 38 8.211 8.693 -0.482 1
1 356 . 14 1 1 A 38 38 GLU CA C 38 56.448 57.447 -0.999 1
1 357 . 14 1 1 A 38 38 GLU HA H 38 4.222 4.250 -0.028 1
1 358 . 14 1 1 A 38 38 GLU CB C 38 36.225 30.332 5.893 1
1 364 . 14 1 1 A 38 38 GLU C C 38 176.258 175.943 0.315 1
1 365 . 14 1 1 A 39 39 LYS N N 39 123.818 127.638 -3.820 1
1 366 . 14 1 1 A 39 39 LYS H H 39 8.392 8.550 -0.158 1
1 367 . 14 1 1 A 39 39 LYS CA C 39 54.059 52.723 1.336 1
1 368 . 14 1 1 A 39 39 LYS HA H 39 4.580 4.735 -0.155 1
1 369 . 14 1 1 A 39 39 LYS CB C 39 32.451 33.911 -1.460 1
1 381 . 14 1 1 A 39 39 LYS C C 39 174.049 174.085 -0.036 1
1 382 . 14 1 1 A 40 40 PRO CA C 40 63.172 62.901 0.271 1
1 383 . 14 1 1 A 40 40 PRO HA H 40 4.444 4.437 0.007 1
1 384 . 14 1 1 A 40 40 PRO CB C 40 32.143 32.341 -0.198 1
1 393 . 14 1 1 A 40 40 PRO C C 40 177.021 176.458 0.563 1
1 394 . 14 1 1 A 41 41 SER N N 41 116.548 119.860 -3.312 1
1 395 . 14 1 1 A 41 41 SER H H 41 8.473 8.427 0.046 1
1 396 . 14 1 1 A 41 41 SER CA C 41 58.308 57.813 0.495 1
1 397 . 14 1 1 A 41 41 SER HA H 41 4.455 4.737 -0.282 1
1 398 . 14 1 1 A 41 41 SER CB C 41 63.988 61.441 2.547 1
1 401 . 14 1 1 A 41 41 SER C C 41 177.006 174.008 2.998 1
1 402 . 14 1 1 A 42 42 GLY CA C 42 44.654 45.388 -0.734 1
1 403 . 14 1 1 A 42 42 GLY HA2 H 42 4.086 4.196 -0.110 1
1 404 . 14 1 1 A 42 42 GLY HA3 H 42 4.125 4.196 -0.071 1
1 405 . 14 1 1 A 43 43 PRO CA C 43 63.217 62.453 0.764 1
1 406 . 14 1 1 A 43 43 PRO HA H 43 4.445 4.508 -0.063 1
1 407 . 14 1 1 A 43 43 PRO CB C 43 32.196 33.078 -0.882 1
1 416 . 14 1 1 A 45 45 SER CA C 45 58.418 59.243 -0.825 1
1 417 . 14 1 1 A 45 45 SER HA H 45 4.478 4.079 0.399 1
1 418 . 14 1 1 A 45 45 SER CB C 45 63.838 62.048 1.790 1
1 420 . 14 1 1 A 45 45 SER C C 45 173.908 173.706 0.202 1
1 1 . 15 1 1 A 8 8 THR N N 8 112.857 112.361 0.496 1
1 2 . 15 1 1 A 8 8 THR H H 8 8.147 8.260 -0.113 1
1 3 . 15 1 1 A 8 8 THR CA C 8 61.875 62.696 -0.821 1
1 4 . 15 1 1 A 8 8 THR HA H 8 4.345 3.943 0.402 1
1 5 . 15 1 1 A 8 8 THR CB C 8 70.012 67.056 2.956 1
1 11 . 15 1 1 A 8 8 THR C C 8 175.287 173.883 1.404 1
1 12 . 15 1 1 A 9 9 GLY N N 9 110.887 107.683 3.204 1
1 13 . 15 1 1 A 9 9 GLY H H 9 8.241 8.102 0.139 1
1 14 . 15 1 1 A 9 9 GLY CA C 9 45.373 46.074 -0.701 1
1 15 . 15 1 1 A 9 9 GLY HA2 H 9 4.009 4.114 -0.105 1
1 16 . 15 1 1 A 9 9 GLY HA3 H 9 3.917 4.116 -0.199 1
1 17 . 15 1 1 A 9 9 GLY C C 9 174.121 172.923 1.198 1
1 18 . 15 1 1 A 10 10 GLU N N 10 120.584 122.606 -2.022 1
1 19 . 15 1 1 A 10 10 GLU H H 10 8.075 8.648 -0.573 1
1 20 . 15 1 1 A 10 10 GLU CA C 10 56.436 55.371 1.065 1
1 21 . 15 1 1 A 10 10 GLU HA H 10 4.224 4.697 -0.473 1
1 22 . 15 1 1 A 10 10 GLU CB C 10 30.465 30.783 -0.318 1
1 28 . 15 1 1 A 10 10 GLU C C 10 176.282 176.060 0.222 1
1 29 . 15 1 1 A 11 11 LYS N N 11 123.004 123.113 -0.109 1
1 30 . 15 1 1 A 11 11 LYS H H 11 8.295 8.280 0.015 1
1 31 . 15 1 1 A 11 11 LYS CA C 11 53.874 54.577 -0.703 1
1 32 . 15 1 1 A 11 11 LYS HA H 11 4.515 4.433 0.082 1
1 33 . 15 1 1 A 11 11 LYS CB C 11 32.609 33.507 -0.898 1
1 45 . 15 1 1 A 11 11 LYS C C 11 174.534 176.396 -1.862 1
1 46 . 15 1 1 A 12 12 PRO CA C 12 62.928 64.170 -1.242 1
1 47 . 15 1 1 A 12 12 PRO HA H 12 4.296 4.387 -0.091 1
1 48 . 15 1 1 A 12 12 PRO CB C 12 32.274 31.347 0.927 1
1 57 . 15 1 1 A 12 12 PRO C C 12 176.489 175.730 0.759 1
1 58 . 15 1 1 A 13 13 TYR N N 13 119.870 118.761 1.109 1
1 59 . 15 1 1 A 13 13 TYR H H 13 8.106 7.790 0.316 1
1 60 . 15 1 1 A 13 13 TYR CA C 13 57.209 56.648 0.561 1
1 61 . 15 1 1 A 13 13 TYR HA H 13 4.588 5.065 -0.477 1
1 62 . 15 1 1 A 13 13 TYR CB C 13 38.107 39.240 -1.133 1
1 73 . 15 1 1 A 13 13 TYR C C 13 174.089 174.259 -0.170 1
1 74 . 15 1 1 A 14 14 LYS N N 14 124.673 125.350 -0.677 1
1 75 . 15 1 1 A 14 14 LYS H H 14 8.358 8.851 -0.493 1
1 76 . 15 1 1 A 14 14 LYS CA C 14 54.730 54.729 0.001 1
1 77 . 15 1 1 A 14 14 LYS HA H 14 5.077 5.472 -0.395 1
1 78 . 15 1 1 A 14 14 LYS CB C 14 36.068 36.370 -0.302 1
1 90 . 15 1 1 A 14 14 LYS C C 14 175.181 175.320 -0.139 1
1 91 . 15 1 1 A 15 15 CYS N N 15 127.857 124.998 2.859 1
1 92 . 15 1 1 A 15 15 CYS H H 15 9.307 9.200 0.107 1
1 93 . 15 1 1 A 15 15 CYS CA C 15 59.474 60.423 -0.949 1
1 94 . 15 1 1 A 15 15 CYS HA H 15 4.524 4.525 -0.001 1
1 95 . 15 1 1 A 15 15 CYS CB C 15 29.634 28.680 0.954 1
1 98 . 15 1 1 A 15 15 CYS C C 15 176.857 176.115 0.742 1
1 99 . 15 1 1 A 16 16 ASN CA C 16 55.608 52.231 3.377 1
1 100 . 15 1 1 A 16 16 ASN HA H 16 4.497 5.000 -0.503 1
1 101 . 15 1 1 A 16 16 ASN CB C 16 38.265 38.808 -0.543 1
1 107 . 15 1 1 A 16 16 ASN C C 16 175.434 176.028 -0.594 1
1 108 . 15 1 1 A 17 17 GLU N N 17 120.770 120.187 0.583 1
1 109 . 15 1 1 A 17 17 GLU H H 17 8.702 7.543 1.159 1
1 110 . 15 1 1 A 17 17 GLU CA C 17 58.818 56.915 1.903 1
1 111 . 15 1 1 A 17 17 GLU HA H 17 4.184 4.440 -0.256 1
1 112 . 15 1 1 A 17 17 GLU CB C 17 29.358 31.273 -1.915 1
1 118 . 15 1 1 A 17 17 GLU C C 17 177.178 177.786 -0.608 1
1 119 . 15 1 1 A 18 18 CYS N N 18 127.684 115.058 12.626 1
1 120 . 15 1 1 A 18 18 CYS H H 18 7.913 8.049 -0.136 1
1 121 . 15 1 1 A 18 18 CYS CA C 18 58.271 59.288 -1.017 1
1 122 . 15 1 1 A 18 18 CYS HA H 18 5.140 4.683 0.457 1
1 123 . 15 1 1 A 18 18 CYS CB C 18 32.384 30.228 2.156 1
1 126 . 15 1 1 A 18 18 CYS C C 18 176.250 175.526 0.724 1
1 127 . 15 1 1 A 19 19 GLY N N 19 113.588 110.281 3.307 1
1 128 . 15 1 1 A 19 19 GLY H H 19 8.163 8.133 0.030 1
1 129 . 15 1 1 A 19 19 GLY CA C 19 46.206 45.220 0.986 1
1 130 . 15 1 1 A 19 19 GLY HA2 H 19 4.213 4.055 0.158 1
1 131 . 15 1 1 A 19 19 GLY HA3 H 19 3.710 4.065 -0.355 1
1 132 . 15 1 1 A 19 19 GLY C C 19 173.538 174.397 -0.859 1
1 133 . 15 1 1 A 20 20 LYS N N 20 122.672 121.793 0.879 1
1 134 . 15 1 1 A 20 20 LYS H H 20 7.898 7.951 -0.053 1
1 135 . 15 1 1 A 20 20 LYS CA C 20 58.243 55.431 2.812 1
1 136 . 15 1 1 A 20 20 LYS HA H 20 3.956 4.446 -0.490 1
1 137 . 15 1 1 A 20 20 LYS CB C 20 33.796 33.858 -0.062 1
1 149 . 15 1 1 A 20 20 LYS C C 20 174.305 175.468 -1.163 1
1 150 . 15 1 1 A 21 21 VAL N N 21 117.669 123.188 -5.519 1
1 151 . 15 1 1 A 21 21 VAL H H 21 7.616 8.067 -0.451 1
1 152 . 15 1 1 A 21 21 VAL CA C 21 60.531 60.084 0.447 1
1 153 . 15 1 1 A 21 21 VAL HA H 21 4.729 5.113 -0.384 1
1 154 . 15 1 1 A 21 21 VAL CB C 21 33.937 35.669 -1.732 1
1 164 . 15 1 1 A 21 21 VAL C C 21 175.221 174.055 1.166 1
1 165 . 15 1 1 A 22 22 PHE N N 22 121.686 122.655 -0.969 1
1 166 . 15 1 1 A 22 22 PHE H H 22 8.732 8.844 -0.112 1
1 167 . 15 1 1 A 22 22 PHE CA C 22 56.827 56.385 0.442 1
1 168 . 15 1 1 A 22 22 PHE HA H 22 4.874 5.002 -0.128 1
1 169 . 15 1 1 A 22 22 PHE CB C 22 43.461 44.012 -0.551 1
1 182 . 15 1 1 A 22 22 PHE C C 22 175.698 175.358 0.340 1
1 183 . 15 1 1 A 23 23 THR N N 23 111.308 114.808 -3.500 1
1 184 . 15 1 1 A 23 23 THR H H 23 9.483 8.847 0.636 1
1 185 . 15 1 1 A 23 23 THR CA C 23 63.243 63.680 -0.437 1
1 186 . 15 1 1 A 23 23 THR HA H 23 4.536 4.415 0.121 1
1 187 . 15 1 1 A 23 23 THR CB C 23 69.668 69.839 -0.171 1
1 193 . 15 1 1 A 23 23 THR C C 23 174.904 174.258 0.646 1
1 194 . 15 1 1 A 24 24 GLN N N 24 128.363 118.977 9.386 1
1 195 . 15 1 1 A 24 24 GLN H H 24 7.069 7.323 -0.254 1
1 196 . 15 1 1 A 24 24 GLN CA C 24 54.007 53.588 0.419 1
1 197 . 15 1 1 A 24 24 GLN HA H 24 4.503 4.060 0.443 1
1 198 . 15 1 1 A 24 24 GLN CB C 24 31.943 30.743 1.200 1
1 207 . 15 1 1 A 24 24 GLN C C 24 175.897 175.401 0.496 1
1 208 . 15 1 1 A 25 25 ASN CA C 25 56.162 57.059 -0.897 1
1 209 . 15 1 1 A 25 25 ASN HA H 25 3.578 4.246 -0.668 1
1 210 . 15 1 1 A 25 25 ASN CB C 25 38.265 38.834 -0.569 1
1 216 . 15 1 1 A 26 26 SER CA C 26 60.828 61.760 -0.932 1
1 217 . 15 1 1 A 26 26 SER HA H 26 4.010 4.042 -0.032 1
1 218 . 15 1 1 A 26 26 SER CB C 26 61.674 62.834 -1.160 1
1 221 . 15 1 1 A 26 26 SER C C 26 177.106 177.093 0.013 1
1 222 . 15 1 1 A 27 27 HIS N N 27 121.567 119.436 2.131 1
1 223 . 15 1 1 A 27 27 HIS H H 27 6.745 7.924 -1.179 1
1 224 . 15 1 1 A 27 27 HIS CA C 27 57.025 58.341 -1.316 1
1 225 . 15 1 1 A 27 27 HIS HA H 27 4.387 4.345 0.042 1
1 226 . 15 1 1 A 27 27 HIS CB C 27 31.749 29.644 2.105 1
1 233 . 15 1 1 A 27 27 HIS C C 27 178.165 177.125 1.040 1
1 234 . 15 1 1 A 28 28 LEU N N 28 122.201 120.667 1.534 1
1 235 . 15 1 1 A 28 28 LEU H H 28 6.890 7.844 -0.954 1
1 236 . 15 1 1 A 28 28 LEU CA C 28 57.568 57.161 0.407 1
1 237 . 15 1 1 A 28 28 LEU HA H 28 3.133 2.582 0.551 1
1 238 . 15 1 1 A 28 28 LEU CB C 28 40.421 41.806 -1.385 1
1 251 . 15 1 1 A 28 28 LEU C C 28 177.398 177.858 -0.460 1
1 252 . 15 1 1 A 29 29 ALA N N 29 120.974 120.208 0.766 1
1 253 . 15 1 1 A 29 29 ALA H H 29 8.291 8.651 -0.360 1
1 254 . 15 1 1 A 29 29 ALA CA C 29 55.296 55.622 -0.326 1
1 255 . 15 1 1 A 29 29 ALA HA H 29 3.906 3.982 -0.076 1
1 256 . 15 1 1 A 29 29 ALA CB C 29 17.744 18.440 -0.696 1
1 260 . 15 1 1 A 29 29 ALA C C 29 180.489 179.600 0.889 1
1 261 . 15 1 1 A 30 30 ARG N N 30 116.427 116.938 -0.511 1
1 262 . 15 1 1 A 30 30 ARG H H 30 7.431 8.377 -0.946 1
1 263 . 15 1 1 A 30 30 ARG CA C 30 58.472 58.701 -0.229 1
1 264 . 15 1 1 A 30 30 ARG HA H 30 4.022 4.070 -0.048 1
1 265 . 15 1 1 A 30 30 ARG CB C 30 30.232 30.259 -0.027 1
1 274 . 15 1 1 A 30 30 ARG C C 30 178.403 178.385 0.018 1
1 275 . 15 1 1 A 31 31 HIS N N 31 119.659 120.303 -0.644 1
1 276 . 15 1 1 A 31 31 HIS H H 31 7.576 7.997 -0.421 1
1 277 . 15 1 1 A 31 31 HIS CA C 31 58.796 59.742 -0.946 1
1 278 . 15 1 1 A 31 31 HIS HA H 31 4.203 4.228 -0.025 1
1 279 . 15 1 1 A 31 31 HIS CB C 31 28.745 29.610 -0.865 1
1 286 . 15 1 1 A 31 31 HIS C C 31 175.860 177.130 -1.270 1
1 287 . 15 1 1 A 32 32 ARG N N 32 128.186 117.667 10.519 1
1 288 . 15 1 1 A 32 32 ARG H H 32 8.021 8.173 -0.152 1
1 289 . 15 1 1 A 32 32 ARG CA C 32 59.996 58.998 0.998 1
1 290 . 15 1 1 A 32 32 ARG HA H 32 3.735 3.989 -0.254 1
1 291 . 15 1 1 A 32 32 ARG CB C 32 30.005 29.865 0.140 1
1 300 . 15 1 1 A 32 32 ARG C C 32 178.010 179.813 -1.803 1
1 301 . 15 1 1 A 33 33 GLY N N 33 118.610 108.188 10.422 1
1 302 . 15 1 1 A 33 33 GLY H H 33 7.577 7.959 -0.382 1
1 303 . 15 1 1 A 33 33 GLY CA C 33 46.501 47.309 -0.808 1
1 304 . 15 1 1 A 33 33 GLY HA2 H 33 3.856 3.601 0.255 1
1 305 . 15 1 1 A 33 33 GLY HA3 H 33 3.976 3.618 0.358 1
1 306 . 15 1 1 A 33 33 GLY C C 33 175.874 176.083 -0.209 1
1 307 . 15 1 1 A 34 34 ILE N N 34 118.491 119.469 -0.978 1
1 308 . 15 1 1 A 34 34 ILE H H 34 7.804 8.085 -0.281 1
1 309 . 15 1 1 A 34 34 ILE CA C 34 62.728 63.932 -1.204 1
1 310 . 15 1 1 A 34 34 ILE HA H 34 4.012 3.723 0.289 1
1 311 . 15 1 1 A 34 34 ILE CB C 34 37.640 37.061 0.579 1
1 324 . 15 1 1 A 34 34 ILE C C 34 177.422 177.159 0.263 1
1 325 . 15 1 1 A 35 35 HIS N N 35 117.828 119.749 -1.921 1
1 326 . 15 1 1 A 35 35 HIS H H 35 7.323 7.309 0.014 1
1 327 . 15 1 1 A 35 35 HIS CA C 35 55.311 58.491 -3.180 1
1 328 . 15 1 1 A 35 35 HIS HA H 35 4.861 4.482 0.379 1
1 329 . 15 1 1 A 35 35 HIS CB C 35 28.630 31.274 -2.644 1
1 336 . 15 1 1 A 35 35 HIS C C 35 175.768 175.916 -0.148 1
1 337 . 15 1 1 A 36 36 THR N N 36 112.063 108.509 3.554 1
1 338 . 15 1 1 A 36 36 THR H H 36 7.784 7.607 0.177 1
1 339 . 15 1 1 A 36 36 THR CA C 36 62.436 61.062 1.374 1
1 340 . 15 1 1 A 36 36 THR HA H 36 4.330 4.370 -0.040 1
1 341 . 15 1 1 A 36 36 THR CB C 36 69.703 68.577 1.126 1
1 347 . 15 1 1 A 36 36 THR C C 36 175.321 174.678 0.643 1
1 348 . 15 1 1 A 37 37 GLY N N 37 111.105 110.787 0.318 1
1 349 . 15 1 1 A 37 37 GLY H H 37 8.435 7.705 0.730 1
1 350 . 15 1 1 A 37 37 GLY CA C 37 45.313 46.039 -0.726 1
1 351 . 15 1 1 A 37 37 GLY HA2 H 37 3.969 3.997 -0.028 1
1 352 . 15 1 1 A 37 37 GLY HA3 H 37 3.969 4.008 -0.039 1
1 353 . 15 1 1 A 37 37 GLY C C 37 174.049 174.104 -0.055 1
1 354 . 15 1 1 A 38 38 GLU N N 38 120.555 121.739 -1.184 1
1 355 . 15 1 1 A 38 38 GLU H H 38 8.211 7.765 0.446 1
1 356 . 15 1 1 A 38 38 GLU CA C 38 56.448 56.612 -0.164 1
1 357 . 15 1 1 A 38 38 GLU HA H 38 4.222 4.247 -0.025 1
1 358 . 15 1 1 A 38 38 GLU CB C 38 36.225 30.629 5.596 1
1 364 . 15 1 1 A 38 38 GLU C C 38 176.258 175.791 0.467 1
1 365 . 15 1 1 A 39 39 LYS N N 39 123.818 125.776 -1.958 1
1 366 . 15 1 1 A 39 39 LYS H H 39 8.392 8.332 0.060 1
1 367 . 15 1 1 A 39 39 LYS CA C 39 54.059 54.309 -0.250 1
1 368 . 15 1 1 A 39 39 LYS HA H 39 4.580 4.404 0.176 1
1 369 . 15 1 1 A 39 39 LYS CB C 39 32.451 32.425 0.026 1
1 381 . 15 1 1 A 39 39 LYS C C 39 174.049 175.369 -1.320 1
1 382 . 15 1 1 A 40 40 PRO CA C 40 63.172 62.664 0.508 1
1 383 . 15 1 1 A 40 40 PRO HA H 40 4.444 4.680 -0.236 1
1 384 . 15 1 1 A 40 40 PRO CB C 40 32.143 33.000 -0.857 1
1 393 . 15 1 1 A 40 40 PRO C C 40 177.021 177.036 -0.015 1
1 394 . 15 1 1 A 41 41 SER N N 41 116.548 116.467 0.081 1
1 395 . 15 1 1 A 41 41 SER H H 41 8.473 8.725 -0.252 1
1 396 . 15 1 1 A 41 41 SER CA C 41 58.308 60.770 -2.462 1
1 397 . 15 1 1 A 41 41 SER HA H 41 4.455 4.373 0.082 1
1 398 . 15 1 1 A 41 41 SER CB C 41 63.988 63.688 0.300 1
1 401 . 15 1 1 A 41 41 SER C C 41 177.006 174.843 2.163 1
1 402 . 15 1 1 A 42 42 GLY CA C 42 44.654 44.264 0.390 1
1 403 . 15 1 1 A 42 42 GLY HA2 H 42 4.086 4.060 0.026 1
1 404 . 15 1 1 A 42 42 GLY HA3 H 42 4.125 4.060 0.065 1
1 405 . 15 1 1 A 43 43 PRO CA C 43 63.217 62.685 0.532 1
1 406 . 15 1 1 A 43 43 PRO HA H 43 4.445 4.702 -0.257 1
1 407 . 15 1 1 A 43 43 PRO CB C 43 32.196 30.488 1.708 1
1 416 . 15 1 1 A 45 45 SER CA C 45 58.418 57.714 0.704 1
1 417 . 15 1 1 A 45 45 SER HA H 45 4.478 4.895 -0.417 1
1 418 . 15 1 1 A 45 45 SER CB C 45 63.838 67.191 -3.353 1
1 420 . 15 1 1 A 45 45 SER C C 45 173.908 172.784 1.124 1
1 1 . 16 1 1 A 8 8 THR N N 8 112.857 114.753 -1.896 1
1 2 . 16 1 1 A 8 8 THR H H 8 8.147 7.894 0.253 1
1 3 . 16 1 1 A 8 8 THR CA C 8 61.875 61.133 0.742 1
1 4 . 16 1 1 A 8 8 THR HA H 8 4.345 4.650 -0.305 1
1 5 . 16 1 1 A 8 8 THR CB C 8 70.012 70.042 -0.030 1
1 11 . 16 1 1 A 8 8 THR C C 8 175.287 175.042 0.245 1
1 12 . 16 1 1 A 9 9 GLY N N 9 110.887 114.962 -4.075 1
1 13 . 16 1 1 A 9 9 GLY H H 9 8.241 8.530 -0.289 1
1 14 . 16 1 1 A 9 9 GLY CA C 9 45.373 44.416 0.957 1
1 15 . 16 1 1 A 9 9 GLY HA2 H 9 4.009 4.029 -0.020 1
1 16 . 16 1 1 A 9 9 GLY HA3 H 9 3.917 4.031 -0.114 1
1 17 . 16 1 1 A 9 9 GLY C C 9 174.121 172.885 1.236 1
1 18 . 16 1 1 A 10 10 GLU N N 10 120.584 120.035 0.549 1
1 19 . 16 1 1 A 10 10 GLU H H 10 8.075 8.574 -0.499 1
1 20 . 16 1 1 A 10 10 GLU CA C 10 56.436 55.336 1.100 1
1 21 . 16 1 1 A 10 10 GLU HA H 10 4.224 4.912 -0.688 1
1 22 . 16 1 1 A 10 10 GLU CB C 10 30.465 30.741 -0.276 1
1 28 . 16 1 1 A 10 10 GLU C C 10 176.282 175.405 0.877 1
1 29 . 16 1 1 A 11 11 LYS N N 11 123.004 125.283 -2.279 1
1 30 . 16 1 1 A 11 11 LYS H H 11 8.295 8.791 -0.496 1
1 31 . 16 1 1 A 11 11 LYS CA C 11 53.874 52.805 1.069 1
1 32 . 16 1 1 A 11 11 LYS HA H 11 4.515 4.882 -0.367 1
1 33 . 16 1 1 A 11 11 LYS CB C 11 32.609 34.241 -1.632 1
1 45 . 16 1 1 A 11 11 LYS C C 11 174.534 176.190 -1.656 1
1 46 . 16 1 1 A 12 12 PRO CA C 12 62.928 64.237 -1.309 1
1 47 . 16 1 1 A 12 12 PRO HA H 12 4.296 4.574 -0.278 1
1 48 . 16 1 1 A 12 12 PRO CB C 12 32.274 31.666 0.608 1
1 57 . 16 1 1 A 12 12 PRO C C 12 176.489 176.058 0.431 1
1 58 . 16 1 1 A 13 13 TYR N N 13 119.870 119.016 0.854 1
1 59 . 16 1 1 A 13 13 TYR H H 13 8.106 8.146 -0.040 1
1 60 . 16 1 1 A 13 13 TYR CA C 13 57.209 56.852 0.357 1
1 61 . 16 1 1 A 13 13 TYR HA H 13 4.588 4.801 -0.213 1
1 62 . 16 1 1 A 13 13 TYR CB C 13 38.107 36.294 1.813 1
1 73 . 16 1 1 A 13 13 TYR C C 13 174.089 174.705 -0.616 1
1 74 . 16 1 1 A 14 14 LYS N N 14 124.673 124.569 0.104 1
1 75 . 16 1 1 A 14 14 LYS H H 14 8.358 8.501 -0.143 1
1 76 . 16 1 1 A 14 14 LYS CA C 14 54.730 54.586 0.144 1
1 77 . 16 1 1 A 14 14 LYS HA H 14 5.077 5.381 -0.304 1
1 78 . 16 1 1 A 14 14 LYS CB C 14 36.068 35.619 0.449 1
1 90 . 16 1 1 A 14 14 LYS C C 14 175.181 176.254 -1.073 1
1 91 . 16 1 1 A 15 15 CYS N N 15 127.857 125.218 2.639 1
1 92 . 16 1 1 A 15 15 CYS H H 15 9.307 9.535 -0.228 1
1 93 . 16 1 1 A 15 15 CYS CA C 15 59.474 59.630 -0.156 1
1 94 . 16 1 1 A 15 15 CYS HA H 15 4.524 4.707 -0.183 1
1 95 . 16 1 1 A 15 15 CYS CB C 15 29.634 28.854 0.780 1
1 98 . 16 1 1 A 15 15 CYS C C 15 176.857 174.844 2.013 1
1 99 . 16 1 1 A 16 16 ASN CA C 16 55.608 54.151 1.457 1
1 100 . 16 1 1 A 16 16 ASN HA H 16 4.497 4.826 -0.329 1
1 101 . 16 1 1 A 16 16 ASN CB C 16 38.265 39.172 -0.907 1
1 107 . 16 1 1 A 16 16 ASN C C 16 175.434 177.110 -1.676 1
1 108 . 16 1 1 A 17 17 GLU N N 17 120.770 120.675 0.095 1
1 109 . 16 1 1 A 17 17 GLU H H 17 8.702 7.820 0.882 1
1 110 . 16 1 1 A 17 17 GLU CA C 17 58.818 58.771 0.047 1
1 111 . 16 1 1 A 17 17 GLU HA H 17 4.184 3.917 0.267 1
1 112 . 16 1 1 A 17 17 GLU CB C 17 29.358 28.465 0.893 1
1 118 . 16 1 1 A 17 17 GLU C C 17 177.178 177.931 -0.753 1
1 119 . 16 1 1 A 18 18 CYS N N 18 127.684 114.841 12.843 1
1 120 . 16 1 1 A 18 18 CYS H H 18 7.913 7.362 0.551 1
1 121 . 16 1 1 A 18 18 CYS CA C 18 58.271 59.642 -1.371 1
1 122 . 16 1 1 A 18 18 CYS HA H 18 5.140 4.580 0.560 1
1 123 . 16 1 1 A 18 18 CYS CB C 18 32.384 29.843 2.541 1
1 126 . 16 1 1 A 18 18 CYS C C 18 176.250 175.336 0.914 1
1 127 . 16 1 1 A 19 19 GLY N N 19 113.588 110.335 3.253 1
1 128 . 16 1 1 A 19 19 GLY H H 19 8.163 8.089 0.074 1
1 129 . 16 1 1 A 19 19 GLY CA C 19 46.206 45.175 1.031 1
1 130 . 16 1 1 A 19 19 GLY HA2 H 19 4.213 4.063 0.150 1
1 131 . 16 1 1 A 19 19 GLY HA3 H 19 3.710 4.080 -0.370 1
1 132 . 16 1 1 A 19 19 GLY C C 19 173.538 174.510 -0.972 1
1 133 . 16 1 1 A 20 20 LYS N N 20 122.672 121.996 0.676 1
1 134 . 16 1 1 A 20 20 LYS H H 20 7.898 7.514 0.384 1
1 135 . 16 1 1 A 20 20 LYS CA C 20 58.243 55.856 2.387 1
1 136 . 16 1 1 A 20 20 LYS HA H 20 3.956 4.340 -0.384 1
1 137 . 16 1 1 A 20 20 LYS CB C 20 33.796 33.748 0.048 1
1 149 . 16 1 1 A 20 20 LYS C C 20 174.305 175.454 -1.149 1
1 150 . 16 1 1 A 21 21 VAL N N 21 117.669 123.679 -6.010 1
1 151 . 16 1 1 A 21 21 VAL H H 21 7.616 7.982 -0.366 1
1 152 . 16 1 1 A 21 21 VAL CA C 21 60.531 60.242 0.289 1
1 153 . 16 1 1 A 21 21 VAL HA H 21 4.729 4.922 -0.193 1
1 154 . 16 1 1 A 21 21 VAL CB C 21 33.937 35.612 -1.675 1
1 164 . 16 1 1 A 21 21 VAL C C 21 175.221 174.073 1.148 1
1 165 . 16 1 1 A 22 22 PHE N N 22 121.686 124.176 -2.490 1
1 166 . 16 1 1 A 22 22 PHE H H 22 8.732 8.770 -0.038 1
1 167 . 16 1 1 A 22 22 PHE CA C 22 56.827 56.340 0.487 1
1 168 . 16 1 1 A 22 22 PHE HA H 22 4.874 5.049 -0.175 1
1 169 . 16 1 1 A 22 22 PHE CB C 22 43.461 44.027 -0.566 1
1 182 . 16 1 1 A 22 22 PHE C C 22 175.698 175.294 0.404 1
1 183 . 16 1 1 A 23 23 THR N N 23 111.308 114.119 -2.811 1
1 184 . 16 1 1 A 23 23 THR H H 23 9.483 8.383 1.100 1
1 185 . 16 1 1 A 23 23 THR CA C 23 63.243 62.877 0.366 1
1 186 . 16 1 1 A 23 23 THR HA H 23 4.536 4.274 0.262 1
1 187 . 16 1 1 A 23 23 THR CB C 23 69.668 70.214 -0.546 1
1 193 . 16 1 1 A 23 23 THR C C 23 174.904 173.924 0.980 1
1 194 . 16 1 1 A 24 24 GLN N N 24 128.363 118.922 9.441 1
1 195 . 16 1 1 A 24 24 GLN H H 24 7.069 7.588 -0.519 1
1 196 . 16 1 1 A 24 24 GLN CA C 24 54.007 54.105 -0.098 1
1 197 . 16 1 1 A 24 24 GLN HA H 24 4.503 4.308 0.195 1
1 198 . 16 1 1 A 24 24 GLN CB C 24 31.943 30.761 1.182 1
1 207 . 16 1 1 A 24 24 GLN C C 24 175.897 175.681 0.216 1
1 208 . 16 1 1 A 25 25 ASN CA C 25 56.162 56.997 -0.835 1
1 209 . 16 1 1 A 25 25 ASN HA H 25 3.578 4.674 -1.096 1
1 210 . 16 1 1 A 25 25 ASN CB C 25 38.265 38.578 -0.313 1
1 216 . 16 1 1 A 26 26 SER CA C 26 60.828 62.474 -1.646 1
1 217 . 16 1 1 A 26 26 SER HA H 26 4.010 4.181 -0.171 1
1 218 . 16 1 1 A 26 26 SER CB C 26 61.674 63.063 -1.389 1
1 221 . 16 1 1 A 26 26 SER C C 26 177.106 176.626 0.480 1
1 222 . 16 1 1 A 27 27 HIS N N 27 121.567 119.302 2.265 1
1 223 . 16 1 1 A 27 27 HIS H H 27 6.745 8.134 -1.389 1
1 224 . 16 1 1 A 27 27 HIS CA C 27 57.025 58.901 -1.876 1
1 225 . 16 1 1 A 27 27 HIS HA H 27 4.387 4.311 0.076 1
1 226 . 16 1 1 A 27 27 HIS CB C 27 31.749 29.655 2.094 1
1 233 . 16 1 1 A 27 27 HIS C C 27 178.165 177.473 0.692 1
1 234 . 16 1 1 A 28 28 LEU N N 28 122.201 120.770 1.431 1
1 235 . 16 1 1 A 28 28 LEU H H 28 6.890 7.655 -0.765 1
1 236 . 16 1 1 A 28 28 LEU CA C 28 57.568 57.383 0.185 1
1 237 . 16 1 1 A 28 28 LEU HA H 28 3.133 2.667 0.466 1
1 238 . 16 1 1 A 28 28 LEU CB C 28 40.421 41.519 -1.098 1
1 251 . 16 1 1 A 28 28 LEU C C 28 177.398 177.865 -0.467 1
1 252 . 16 1 1 A 29 29 ALA N N 29 120.974 121.051 -0.077 1
1 253 . 16 1 1 A 29 29 ALA H H 29 8.291 8.765 -0.474 1
1 254 . 16 1 1 A 29 29 ALA CA C 29 55.296 55.718 -0.422 1
1 255 . 16 1 1 A 29 29 ALA HA H 29 3.906 4.061 -0.155 1
1 256 . 16 1 1 A 29 29 ALA CB C 29 17.744 18.328 -0.584 1
1 260 . 16 1 1 A 29 29 ALA C C 29 180.489 179.575 0.914 1
1 261 . 16 1 1 A 30 30 ARG N N 30 116.427 117.250 -0.823 1
1 262 . 16 1 1 A 30 30 ARG H H 30 7.431 8.459 -1.028 1
1 263 . 16 1 1 A 30 30 ARG CA C 30 58.472 58.542 -0.070 1
1 264 . 16 1 1 A 30 30 ARG HA H 30 4.022 4.083 -0.061 1
1 265 . 16 1 1 A 30 30 ARG CB C 30 30.232 29.849 0.383 1
1 274 . 16 1 1 A 30 30 ARG C C 30 178.403 178.272 0.131 1
1 275 . 16 1 1 A 31 31 HIS N N 31 119.659 120.222 -0.563 1
1 276 . 16 1 1 A 31 31 HIS H H 31 7.576 7.645 -0.069 1
1 277 . 16 1 1 A 31 31 HIS CA C 31 58.796 59.964 -1.168 1
1 278 . 16 1 1 A 31 31 HIS HA H 31 4.203 4.197 0.006 1
1 279 . 16 1 1 A 31 31 HIS CB C 31 28.745 29.573 -0.828 1
1 286 . 16 1 1 A 31 31 HIS C C 31 175.860 177.181 -1.321 1
1 287 . 16 1 1 A 32 32 ARG N N 32 128.186 117.750 10.436 1
1 288 . 16 1 1 A 32 32 ARG H H 32 8.021 8.055 -0.034 1
1 289 . 16 1 1 A 32 32 ARG CA C 32 59.996 58.913 1.083 1
1 290 . 16 1 1 A 32 32 ARG HA H 32 3.735 3.793 -0.058 1
1 291 . 16 1 1 A 32 32 ARG CB C 32 30.005 29.955 0.050 1
1 300 . 16 1 1 A 32 32 ARG C C 32 178.010 179.510 -1.500 1
1 301 . 16 1 1 A 33 33 GLY N N 33 118.610 108.044 10.566 1
1 302 . 16 1 1 A 33 33 GLY H H 33 7.577 7.748 -0.171 1
1 303 . 16 1 1 A 33 33 GLY CA C 33 46.501 46.379 0.122 1
1 304 . 16 1 1 A 33 33 GLY HA2 H 33 3.856 3.814 0.042 1
1 305 . 16 1 1 A 33 33 GLY HA3 H 33 3.976 3.825 0.151 1
1 306 . 16 1 1 A 33 33 GLY C C 33 175.874 175.757 0.117 1
1 307 . 16 1 1 A 34 34 ILE N N 34 118.491 118.429 0.062 1
1 308 . 16 1 1 A 34 34 ILE H H 34 7.804 7.811 -0.007 1
1 309 . 16 1 1 A 34 34 ILE CA C 34 62.728 64.154 -1.426 1
1 310 . 16 1 1 A 34 34 ILE HA H 34 4.012 3.793 0.219 1
1 311 . 16 1 1 A 34 34 ILE CB C 34 37.640 36.985 0.655 1
1 324 . 16 1 1 A 34 34 ILE C C 34 177.422 177.972 -0.550 1
1 325 . 16 1 1 A 35 35 HIS N N 35 117.828 120.469 -2.641 1
1 326 . 16 1 1 A 35 35 HIS H H 35 7.323 7.328 -0.005 1
1 327 . 16 1 1 A 35 35 HIS CA C 35 55.311 59.221 -3.910 1
1 328 . 16 1 1 A 35 35 HIS HA H 35 4.861 4.446 0.415 1
1 329 . 16 1 1 A 35 35 HIS CB C 35 28.630 30.964 -2.334 1
1 336 . 16 1 1 A 35 35 HIS C C 35 175.768 178.075 -2.307 1
1 337 . 16 1 1 A 36 36 THR N N 36 112.063 110.485 1.578 1
1 338 . 16 1 1 A 36 36 THR H H 36 7.784 7.598 0.186 1
1 339 . 16 1 1 A 36 36 THR CA C 36 62.436 64.163 -1.727 1
1 340 . 16 1 1 A 36 36 THR HA H 36 4.330 4.195 0.135 1
1 341 . 16 1 1 A 36 36 THR CB C 36 69.703 69.198 0.505 1
1 347 . 16 1 1 A 36 36 THR C C 36 175.321 175.226 0.095 1
1 348 . 16 1 1 A 37 37 GLY N N 37 111.105 110.756 0.349 1
1 349 . 16 1 1 A 37 37 GLY H H 37 8.435 7.448 0.987 1
1 350 . 16 1 1 A 37 37 GLY CA C 37 45.313 44.701 0.612 1
1 351 . 16 1 1 A 37 37 GLY HA2 H 37 3.969 4.035 -0.066 1
1 352 . 16 1 1 A 37 37 GLY HA3 H 37 3.969 4.048 -0.079 1
1 353 . 16 1 1 A 37 37 GLY C C 37 174.049 173.833 0.216 1
1 354 . 16 1 1 A 38 38 GLU N N 38 120.555 120.895 -0.340 1
1 355 . 16 1 1 A 38 38 GLU H H 38 8.211 8.582 -0.371 1
1 356 . 16 1 1 A 38 38 GLU CA C 38 56.448 55.646 0.802 1
1 357 . 16 1 1 A 38 38 GLU HA H 38 4.222 4.517 -0.295 1
1 358 . 16 1 1 A 38 38 GLU CB C 38 36.225 29.810 6.415 1
1 364 . 16 1 1 A 38 38 GLU C C 38 176.258 177.635 -1.377 1
1 365 . 16 1 1 A 39 39 LYS N N 39 123.818 121.116 2.702 1
1 366 . 16 1 1 A 39 39 LYS H H 39 8.392 8.160 0.232 1
1 367 . 16 1 1 A 39 39 LYS CA C 39 54.059 61.465 -7.406 1
1 368 . 16 1 1 A 39 39 LYS HA H 39 4.580 4.099 0.481 1
1 369 . 16 1 1 A 39 39 LYS CB C 39 32.451 30.741 1.710 1
1 381 . 16 1 1 A 39 39 LYS C C 39 174.049 176.975 -2.926 1
1 382 . 16 1 1 A 40 40 PRO CA C 40 63.172 62.612 0.560 1
1 383 . 16 1 1 A 40 40 PRO HA H 40 4.444 4.527 -0.083 1
1 384 . 16 1 1 A 40 40 PRO CB C 40 32.143 32.664 -0.521 1
1 393 . 16 1 1 A 40 40 PRO C C 40 177.021 176.594 0.427 1
1 394 . 16 1 1 A 41 41 SER N N 41 116.548 116.412 0.136 1
1 395 . 16 1 1 A 41 41 SER H H 41 8.473 8.828 -0.355 1
1 396 . 16 1 1 A 41 41 SER CA C 41 58.308 59.865 -1.557 1
1 397 . 16 1 1 A 41 41 SER HA H 41 4.455 4.530 -0.075 1
1 398 . 16 1 1 A 41 41 SER CB C 41 63.988 64.081 -0.093 1
1 401 . 16 1 1 A 41 41 SER C C 41 177.006 174.438 2.568 1
1 402 . 16 1 1 A 42 42 GLY CA C 42 44.654 46.046 -1.392 1
1 403 . 16 1 1 A 42 42 GLY HA2 H 42 4.086 4.106 -0.020 1
1 404 . 16 1 1 A 42 42 GLY HA3 H 42 4.125 4.108 0.017 1
1 405 . 16 1 1 A 43 43 PRO CA C 43 63.217 62.770 0.447 1
1 406 . 16 1 1 A 43 43 PRO HA H 43 4.445 4.693 -0.248 1
1 407 . 16 1 1 A 43 43 PRO CB C 43 32.196 31.614 0.582 1
1 416 . 16 1 1 A 45 45 SER CA C 45 58.418 61.772 -3.354 1
1 417 . 16 1 1 A 45 45 SER HA H 45 4.478 4.195 0.283 1
1 418 . 16 1 1 A 45 45 SER CB C 45 63.838 63.445 0.393 1
1 420 . 16 1 1 A 45 45 SER C C 45 173.908 174.867 -0.959 1
1 1 . 17 1 1 A 8 8 THR N N 8 112.857 114.883 -2.026 1
1 2 . 17 1 1 A 8 8 THR H H 8 8.147 8.173 -0.026 1
1 3 . 17 1 1 A 8 8 THR CA C 8 61.875 63.454 -1.579 1
1 4 . 17 1 1 A 8 8 THR HA H 8 4.345 4.250 0.095 1
1 5 . 17 1 1 A 8 8 THR CB C 8 70.012 69.037 0.975 1
1 11 . 17 1 1 A 8 8 THR C C 8 175.287 175.119 0.168 1
1 12 . 17 1 1 A 9 9 GLY N N 9 110.887 115.404 -4.517 1
1 13 . 17 1 1 A 9 9 GLY H H 9 8.241 9.021 -0.780 1
1 14 . 17 1 1 A 9 9 GLY CA C 9 45.373 46.905 -1.532 1
1 15 . 17 1 1 A 9 9 GLY HA2 H 9 4.009 3.820 0.189 1
1 16 . 17 1 1 A 9 9 GLY HA3 H 9 3.917 3.824 0.093 1
1 17 . 17 1 1 A 9 9 GLY C C 9 174.121 174.775 -0.654 1
1 18 . 17 1 1 A 10 10 GLU N N 10 120.584 121.253 -0.669 1
1 19 . 17 1 1 A 10 10 GLU H H 10 8.075 8.450 -0.375 1
1 20 . 17 1 1 A 10 10 GLU CA C 10 56.436 56.322 0.114 1
1 21 . 17 1 1 A 10 10 GLU HA H 10 4.224 4.402 -0.178 1
1 22 . 17 1 1 A 10 10 GLU CB C 10 30.465 30.794 -0.329 1
1 28 . 17 1 1 A 10 10 GLU C C 10 176.282 175.493 0.789 1
1 29 . 17 1 1 A 11 11 LYS N N 11 123.004 121.717 1.287 1
1 30 . 17 1 1 A 11 11 LYS H H 11 8.295 8.422 -0.127 1
1 31 . 17 1 1 A 11 11 LYS CA C 11 53.874 53.129 0.745 1
1 32 . 17 1 1 A 11 11 LYS HA H 11 4.515 4.853 -0.338 1
1 33 . 17 1 1 A 11 11 LYS CB C 11 32.609 34.316 -1.707 1
1 45 . 17 1 1 A 11 11 LYS C C 11 174.534 176.256 -1.722 1
1 46 . 17 1 1 A 12 12 PRO CA C 12 62.928 64.307 -1.379 1
1 47 . 17 1 1 A 12 12 PRO HA H 12 4.296 4.596 -0.300 1
1 48 . 17 1 1 A 12 12 PRO CB C 12 32.274 31.818 0.456 1
1 57 . 17 1 1 A 12 12 PRO C C 12 176.489 176.116 0.373 1
1 58 . 17 1 1 A 13 13 TYR N N 13 119.870 118.105 1.765 1
1 59 . 17 1 1 A 13 13 TYR H H 13 8.106 8.073 0.033 1
1 60 . 17 1 1 A 13 13 TYR CA C 13 57.209 56.668 0.541 1
1 61 . 17 1 1 A 13 13 TYR HA H 13 4.588 4.784 -0.196 1
1 62 . 17 1 1 A 13 13 TYR CB C 13 38.107 36.882 1.225 1
1 73 . 17 1 1 A 13 13 TYR C C 13 174.089 174.717 -0.628 1
1 74 . 17 1 1 A 14 14 LYS N N 14 124.673 123.248 1.425 1
1 75 . 17 1 1 A 14 14 LYS H H 14 8.358 7.897 0.461 1
1 76 . 17 1 1 A 14 14 LYS CA C 14 54.730 54.453 0.277 1
1 77 . 17 1 1 A 14 14 LYS HA H 14 5.077 5.411 -0.334 1
1 78 . 17 1 1 A 14 14 LYS CB C 14 36.068 36.011 0.057 1
1 90 . 17 1 1 A 14 14 LYS C C 14 175.181 175.679 -0.498 1
1 91 . 17 1 1 A 15 15 CYS N N 15 127.857 125.148 2.709 1
1 92 . 17 1 1 A 15 15 CYS H H 15 9.307 9.515 -0.208 1
1 93 . 17 1 1 A 15 15 CYS CA C 15 59.474 59.703 -0.229 1
1 94 . 17 1 1 A 15 15 CYS HA H 15 4.524 4.649 -0.125 1
1 95 . 17 1 1 A 15 15 CYS CB C 15 29.634 28.748 0.886 1
1 98 . 17 1 1 A 15 15 CYS C C 15 176.857 176.025 0.832 1
1 99 . 17 1 1 A 16 16 ASN CA C 16 55.608 53.719 1.889 1
1 100 . 17 1 1 A 16 16 ASN HA H 16 4.497 4.702 -0.205 1
1 101 . 17 1 1 A 16 16 ASN CB C 16 38.265 39.681 -1.416 1
1 107 . 17 1 1 A 16 16 ASN C C 16 175.434 177.038 -1.604 1
1 108 . 17 1 1 A 17 17 GLU N N 17 120.770 120.048 0.722 1
1 109 . 17 1 1 A 17 17 GLU H H 17 8.702 7.697 1.005 1
1 110 . 17 1 1 A 17 17 GLU CA C 17 58.818 58.790 0.028 1
1 111 . 17 1 1 A 17 17 GLU HA H 17 4.184 3.918 0.266 1
1 112 . 17 1 1 A 17 17 GLU CB C 17 29.358 28.309 1.049 1
1 118 . 17 1 1 A 17 17 GLU C C 17 177.178 178.074 -0.896 1
1 119 . 17 1 1 A 18 18 CYS N N 18 127.684 115.023 12.661 1
1 120 . 17 1 1 A 18 18 CYS H H 18 7.913 7.321 0.592 1
1 121 . 17 1 1 A 18 18 CYS CA C 18 58.271 59.758 -1.487 1
1 122 . 17 1 1 A 18 18 CYS HA H 18 5.140 4.618 0.522 1
1 123 . 17 1 1 A 18 18 CYS CB C 18 32.384 29.702 2.682 1
1 126 . 17 1 1 A 18 18 CYS C C 18 176.250 175.329 0.921 1
1 127 . 17 1 1 A 19 19 GLY N N 19 113.588 110.359 3.229 1
1 128 . 17 1 1 A 19 19 GLY H H 19 8.163 8.194 -0.031 1
1 129 . 17 1 1 A 19 19 GLY CA C 19 46.206 45.241 0.965 1
1 130 . 17 1 1 A 19 19 GLY HA2 H 19 4.213 4.059 0.154 1
1 131 . 17 1 1 A 19 19 GLY HA3 H 19 3.710 4.069 -0.359 1
1 132 . 17 1 1 A 19 19 GLY C C 19 173.538 174.401 -0.863 1
1 133 . 17 1 1 A 20 20 LYS N N 20 122.672 121.727 0.945 1
1 134 . 17 1 1 A 20 20 LYS H H 20 7.898 7.434 0.464 1
1 135 . 17 1 1 A 20 20 LYS CA C 20 58.243 55.525 2.718 1
1 136 . 17 1 1 A 20 20 LYS HA H 20 3.956 4.383 -0.427 1
1 137 . 17 1 1 A 20 20 LYS CB C 20 33.796 33.649 0.147 1
1 149 . 17 1 1 A 20 20 LYS C C 20 174.305 175.336 -1.031 1
1 150 . 17 1 1 A 21 21 VAL N N 21 117.669 124.046 -6.377 1
1 151 . 17 1 1 A 21 21 VAL H H 21 7.616 7.901 -0.285 1
1 152 . 17 1 1 A 21 21 VAL CA C 21 60.531 60.433 0.098 1
1 153 . 17 1 1 A 21 21 VAL HA H 21 4.729 4.972 -0.243 1
1 154 . 17 1 1 A 21 21 VAL CB C 21 33.937 34.672 -0.735 1
1 164 . 17 1 1 A 21 21 VAL C C 21 175.221 174.299 0.922 1
1 165 . 17 1 1 A 22 22 PHE N N 22 121.686 123.704 -2.018 1
1 166 . 17 1 1 A 22 22 PHE H H 22 8.732 8.513 0.219 1
1 167 . 17 1 1 A 22 22 PHE CA C 22 56.827 56.405 0.422 1
1 168 . 17 1 1 A 22 22 PHE HA H 22 4.874 5.050 -0.176 1
1 169 . 17 1 1 A 22 22 PHE CB C 22 43.461 44.295 -0.834 1
1 182 . 17 1 1 A 22 22 PHE C C 22 175.698 174.881 0.817 1
1 183 . 17 1 1 A 23 23 THR N N 23 111.308 113.100 -1.792 1
1 184 . 17 1 1 A 23 23 THR H H 23 9.483 8.694 0.789 1
1 185 . 17 1 1 A 23 23 THR CA C 23 63.243 62.195 1.048 1
1 186 . 17 1 1 A 23 23 THR HA H 23 4.536 4.456 0.080 1
1 187 . 17 1 1 A 23 23 THR CB C 23 69.668 70.021 -0.353 1
1 193 . 17 1 1 A 23 23 THR C C 23 174.904 173.799 1.105 1
1 194 . 17 1 1 A 24 24 GLN N N 24 128.363 120.407 7.956 1
1 195 . 17 1 1 A 24 24 GLN H H 24 7.069 7.830 -0.761 1
1 196 . 17 1 1 A 24 24 GLN CA C 24 54.007 53.819 0.188 1
1 197 . 17 1 1 A 24 24 GLN HA H 24 4.503 4.428 0.075 1
1 198 . 17 1 1 A 24 24 GLN CB C 24 31.943 31.161 0.782 1
1 207 . 17 1 1 A 24 24 GLN C C 24 175.897 176.203 -0.306 1
1 208 . 17 1 1 A 25 25 ASN CA C 25 56.162 57.432 -1.270 1
1 209 . 17 1 1 A 25 25 ASN HA H 25 3.578 4.460 -0.882 1
1 210 . 17 1 1 A 25 25 ASN CB C 25 38.265 38.865 -0.600 1
1 216 . 17 1 1 A 26 26 SER CA C 26 60.828 62.388 -1.560 1
1 217 . 17 1 1 A 26 26 SER HA H 26 4.010 4.143 -0.133 1
1 218 . 17 1 1 A 26 26 SER CB C 26 61.674 63.158 -1.484 1
1 221 . 17 1 1 A 26 26 SER C C 26 177.106 176.505 0.601 1
1 222 . 17 1 1 A 27 27 HIS N N 27 121.567 119.190 2.377 1
1 223 . 17 1 1 A 27 27 HIS H H 27 6.745 7.556 -0.811 1
1 224 . 17 1 1 A 27 27 HIS CA C 27 57.025 59.501 -2.476 1
1 225 . 17 1 1 A 27 27 HIS HA H 27 4.387 4.375 0.012 1
1 226 . 17 1 1 A 27 27 HIS CB C 27 31.749 30.293 1.456 1
1 233 . 17 1 1 A 27 27 HIS C C 27 178.165 177.444 0.721 1
1 234 . 17 1 1 A 28 28 LEU N N 28 122.201 120.972 1.229 1
1 235 . 17 1 1 A 28 28 LEU H H 28 6.890 8.055 -1.165 1
1 236 . 17 1 1 A 28 28 LEU CA C 28 57.568 57.268 0.300 1
1 237 . 17 1 1 A 28 28 LEU HA H 28 3.133 2.480 0.653 1
1 238 . 17 1 1 A 28 28 LEU CB C 28 40.421 41.750 -1.329 1
1 251 . 17 1 1 A 28 28 LEU C C 28 177.398 177.783 -0.385 1
1 252 . 17 1 1 A 29 29 ALA N N 29 120.974 120.303 0.671 1
1 253 . 17 1 1 A 29 29 ALA H H 29 8.291 8.642 -0.351 1
1 254 . 17 1 1 A 29 29 ALA CA C 29 55.296 55.412 -0.116 1
1 255 . 17 1 1 A 29 29 ALA HA H 29 3.906 3.973 -0.067 1
1 256 . 17 1 1 A 29 29 ALA CB C 29 17.744 18.411 -0.667 1
1 260 . 17 1 1 A 29 29 ALA C C 29 180.489 179.575 0.914 1
1 261 . 17 1 1 A 30 30 ARG N N 30 116.427 116.977 -0.550 1
1 262 . 17 1 1 A 30 30 ARG H H 30 7.431 7.913 -0.482 1
1 263 . 17 1 1 A 30 30 ARG CA C 30 58.472 58.659 -0.187 1
1 264 . 17 1 1 A 30 30 ARG HA H 30 4.022 4.074 -0.052 1
1 265 . 17 1 1 A 30 30 ARG CB C 30 30.232 30.238 -0.006 1
1 274 . 17 1 1 A 30 30 ARG C C 30 178.403 178.342 0.061 1
1 275 . 17 1 1 A 31 31 HIS N N 31 119.659 120.342 -0.683 1
1 276 . 17 1 1 A 31 31 HIS H H 31 7.576 8.066 -0.490 1
1 277 . 17 1 1 A 31 31 HIS CA C 31 58.796 60.135 -1.339 1
1 278 . 17 1 1 A 31 31 HIS HA H 31 4.203 4.207 -0.004 1
1 279 . 17 1 1 A 31 31 HIS CB C 31 28.745 29.583 -0.838 1
1 286 . 17 1 1 A 31 31 HIS C C 31 175.860 176.866 -1.006 1
1 287 . 17 1 1 A 32 32 ARG N N 32 128.186 117.531 10.655 1
1 288 . 17 1 1 A 32 32 ARG H H 32 8.021 8.101 -0.080 1
1 289 . 17 1 1 A 32 32 ARG CA C 32 59.996 59.020 0.976 1
1 290 . 17 1 1 A 32 32 ARG HA H 32 3.735 4.040 -0.305 1
1 291 . 17 1 1 A 32 32 ARG CB C 32 30.005 30.007 -0.002 1
1 300 . 17 1 1 A 32 32 ARG C C 32 178.010 179.663 -1.653 1
1 301 . 17 1 1 A 33 33 GLY N N 33 118.610 108.030 10.580 1
1 302 . 17 1 1 A 33 33 GLY H H 33 7.577 8.041 -0.464 1
1 303 . 17 1 1 A 33 33 GLY CA C 33 46.501 46.862 -0.361 1
1 304 . 17 1 1 A 33 33 GLY HA2 H 33 3.856 3.657 0.199 1
1 305 . 17 1 1 A 33 33 GLY HA3 H 33 3.976 3.673 0.303 1
1 306 . 17 1 1 A 33 33 GLY C C 33 175.874 175.932 -0.058 1
1 307 . 17 1 1 A 34 34 ILE N N 34 118.491 118.857 -0.366 1
1 308 . 17 1 1 A 34 34 ILE H H 34 7.804 8.114 -0.310 1
1 309 . 17 1 1 A 34 34 ILE CA C 34 62.728 63.738 -1.010 1
1 310 . 17 1 1 A 34 34 ILE HA H 34 4.012 3.779 0.233 1
1 311 . 17 1 1 A 34 34 ILE CB C 34 37.640 37.059 0.581 1
1 324 . 17 1 1 A 34 34 ILE C C 34 177.422 177.101 0.321 1
1 325 . 17 1 1 A 35 35 HIS N N 35 117.828 119.414 -1.586 1
1 326 . 17 1 1 A 35 35 HIS H H 35 7.323 7.616 -0.293 1
1 327 . 17 1 1 A 35 35 HIS CA C 35 55.311 57.495 -2.184 1
1 328 . 17 1 1 A 35 35 HIS HA H 35 4.861 4.501 0.360 1
1 329 . 17 1 1 A 35 35 HIS CB C 35 28.630 31.393 -2.763 1
1 336 . 17 1 1 A 35 35 HIS C C 35 175.768 176.359 -0.591 1
1 337 . 17 1 1 A 36 36 THR N N 36 112.063 107.169 4.894 1
1 338 . 17 1 1 A 36 36 THR H H 36 7.784 7.826 -0.042 1
1 339 . 17 1 1 A 36 36 THR CA C 36 62.436 60.949 1.487 1
1 340 . 17 1 1 A 36 36 THR HA H 36 4.330 4.466 -0.136 1
1 341 . 17 1 1 A 36 36 THR CB C 36 69.703 68.675 1.028 1
1 347 . 17 1 1 A 36 36 THR C C 36 175.321 174.293 1.028 1
1 348 . 17 1 1 A 37 37 GLY N N 37 111.105 110.731 0.374 1
1 349 . 17 1 1 A 37 37 GLY H H 37 8.435 7.684 0.751 1
1 350 . 17 1 1 A 37 37 GLY CA C 37 45.313 45.496 -0.183 1
1 351 . 17 1 1 A 37 37 GLY HA2 H 37 3.969 4.067 -0.098 1
1 352 . 17 1 1 A 37 37 GLY HA3 H 37 3.969 4.081 -0.112 1
1 353 . 17 1 1 A 37 37 GLY C C 37 174.049 172.394 1.655 1
1 354 . 17 1 1 A 38 38 GLU N N 38 120.555 122.395 -1.840 1
1 355 . 17 1 1 A 38 38 GLU H H 38 8.211 8.362 -0.151 1
1 356 . 17 1 1 A 38 38 GLU CA C 38 56.448 56.378 0.070 1
1 357 . 17 1 1 A 38 38 GLU HA H 38 4.222 4.555 -0.333 1
1 358 . 17 1 1 A 38 38 GLU CB C 38 36.225 30.316 5.909 1
1 364 . 17 1 1 A 38 38 GLU C C 38 176.258 175.452 0.806 1
1 365 . 17 1 1 A 39 39 LYS N N 39 123.818 127.415 -3.597 1
1 366 . 17 1 1 A 39 39 LYS H H 39 8.392 8.599 -0.207 1
1 367 . 17 1 1 A 39 39 LYS CA C 39 54.059 53.036 1.023 1
1 368 . 17 1 1 A 39 39 LYS HA H 39 4.580 4.767 -0.187 1
1 369 . 17 1 1 A 39 39 LYS CB C 39 32.451 36.425 -3.974 1
1 381 . 17 1 1 A 39 39 LYS C C 39 174.049 174.286 -0.237 1
1 382 . 17 1 1 A 40 40 PRO CA C 40 63.172 62.879 0.293 1
1 383 . 17 1 1 A 40 40 PRO HA H 40 4.444 4.462 -0.018 1
1 384 . 17 1 1 A 40 40 PRO CB C 40 32.143 32.273 -0.130 1
1 393 . 17 1 1 A 40 40 PRO C C 40 177.021 177.076 -0.055 1
1 394 . 17 1 1 A 41 41 SER N N 41 116.548 119.005 -2.457 1
1 395 . 17 1 1 A 41 41 SER H H 41 8.473 8.362 0.111 1
1 396 . 17 1 1 A 41 41 SER CA C 41 58.308 59.850 -1.542 1
1 397 . 17 1 1 A 41 41 SER HA H 41 4.455 4.594 -0.139 1
1 398 . 17 1 1 A 41 41 SER CB C 41 63.988 63.827 0.161 1
1 401 . 17 1 1 A 41 41 SER C C 41 177.006 174.831 2.175 1
1 402 . 17 1 1 A 42 42 GLY CA C 42 44.654 45.392 -0.738 1
1 403 . 17 1 1 A 42 42 GLY HA2 H 42 4.086 4.237 -0.151 1
1 404 . 17 1 1 A 42 42 GLY HA3 H 42 4.125 4.239 -0.114 1
1 405 . 17 1 1 A 43 43 PRO CA C 43 63.217 62.708 0.509 1
1 406 . 17 1 1 A 43 43 PRO HA H 43 4.445 4.585 -0.140 1
1 407 . 17 1 1 A 43 43 PRO CB C 43 32.196 31.878 0.318 1
1 416 . 17 1 1 A 45 45 SER CA C 45 58.418 57.573 0.845 1
1 417 . 17 1 1 A 45 45 SER HA H 45 4.478 4.984 -0.506 1
1 418 . 17 1 1 A 45 45 SER CB C 45 63.838 66.278 -2.440 1
1 420 . 17 1 1 A 45 45 SER C C 45 173.908 173.582 0.326 1
1 1 . 18 1 1 A 8 8 THR N N 8 112.857 114.417 -1.560 1
1 2 . 18 1 1 A 8 8 THR H H 8 8.147 7.924 0.223 1
1 3 . 18 1 1 A 8 8 THR CA C 8 61.875 63.993 -2.118 1
1 4 . 18 1 1 A 8 8 THR HA H 8 4.345 4.327 0.018 1
1 5 . 18 1 1 A 8 8 THR CB C 8 70.012 70.124 -0.112 1
1 11 . 18 1 1 A 8 8 THR C C 8 175.287 174.398 0.889 1
1 12 . 18 1 1 A 9 9 GLY N N 9 110.887 109.049 1.838 1
1 13 . 18 1 1 A 9 9 GLY H H 9 8.241 7.826 0.415 1
1 14 . 18 1 1 A 9 9 GLY CA C 9 45.373 44.473 0.900 1
1 15 . 18 1 1 A 9 9 GLY HA2 H 9 4.009 4.014 -0.005 1
1 16 . 18 1 1 A 9 9 GLY HA3 H 9 3.917 4.015 -0.098 1
1 17 . 18 1 1 A 9 9 GLY C C 9 174.121 172.629 1.492 1
1 18 . 18 1 1 A 10 10 GLU N N 10 120.584 120.665 -0.081 1
1 19 . 18 1 1 A 10 10 GLU H H 10 8.075 8.584 -0.509 1
1 20 . 18 1 1 A 10 10 GLU CA C 10 56.436 54.789 1.647 1
1 21 . 18 1 1 A 10 10 GLU HA H 10 4.224 5.087 -0.863 1
1 22 . 18 1 1 A 10 10 GLU CB C 10 30.465 33.300 -2.835 1
1 28 . 18 1 1 A 10 10 GLU C C 10 176.282 175.638 0.644 1
1 29 . 18 1 1 A 11 11 LYS N N 11 123.004 122.378 0.626 1
1 30 . 18 1 1 A 11 11 LYS H H 11 8.295 8.575 -0.280 1
1 31 . 18 1 1 A 11 11 LYS CA C 11 53.874 53.826 0.048 1
1 32 . 18 1 1 A 11 11 LYS HA H 11 4.515 5.117 -0.602 1
1 33 . 18 1 1 A 11 11 LYS CB C 11 32.609 33.231 -0.622 1
1 45 . 18 1 1 A 11 11 LYS C C 11 174.534 175.191 -0.657 1
1 46 . 18 1 1 A 12 12 PRO CA C 12 62.928 64.482 -1.554 1
1 47 . 18 1 1 A 12 12 PRO HA H 12 4.296 4.510 -0.214 1
1 48 . 18 1 1 A 12 12 PRO CB C 12 32.274 31.653 0.621 1
1 57 . 18 1 1 A 12 12 PRO C C 12 176.489 175.864 0.625 1
1 58 . 18 1 1 A 13 13 TYR N N 13 119.870 118.571 1.299 1
1 59 . 18 1 1 A 13 13 TYR H H 13 8.106 7.751 0.355 1
1 60 . 18 1 1 A 13 13 TYR CA C 13 57.209 56.861 0.348 1
1 61 . 18 1 1 A 13 13 TYR HA H 13 4.588 5.191 -0.603 1
1 62 . 18 1 1 A 13 13 TYR CB C 13 38.107 39.799 -1.692 1
1 73 . 18 1 1 A 13 13 TYR C C 13 174.089 174.536 -0.447 1
1 74 . 18 1 1 A 14 14 LYS N N 14 124.673 124.250 0.423 1
1 75 . 18 1 1 A 14 14 LYS H H 14 8.358 8.812 -0.454 1
1 76 . 18 1 1 A 14 14 LYS CA C 14 54.730 55.422 -0.692 1
1 77 . 18 1 1 A 14 14 LYS HA H 14 5.077 5.069 0.008 1
1 78 . 18 1 1 A 14 14 LYS CB C 14 36.068 36.385 -0.317 1
1 90 . 18 1 1 A 14 14 LYS C C 14 175.181 174.538 0.643 1
1 91 . 18 1 1 A 15 15 CYS N N 15 127.857 124.810 3.047 1
1 92 . 18 1 1 A 15 15 CYS H H 15 9.307 9.244 0.063 1
1 93 . 18 1 1 A 15 15 CYS CA C 15 59.474 59.791 -0.317 1
1 94 . 18 1 1 A 15 15 CYS HA H 15 4.524 4.693 -0.169 1
1 95 . 18 1 1 A 15 15 CYS CB C 15 29.634 28.663 0.971 1
1 98 . 18 1 1 A 15 15 CYS C C 15 176.857 175.071 1.786 1
1 99 . 18 1 1 A 16 16 ASN CA C 16 55.608 54.906 0.702 1
1 100 . 18 1 1 A 16 16 ASN HA H 16 4.497 4.675 -0.178 1
1 101 . 18 1 1 A 16 16 ASN CB C 16 38.265 39.050 -0.785 1
1 107 . 18 1 1 A 16 16 ASN C C 16 175.434 177.309 -1.875 1
1 108 . 18 1 1 A 17 17 GLU N N 17 120.770 118.466 2.304 1
1 109 . 18 1 1 A 17 17 GLU H H 17 8.702 7.772 0.930 1
1 110 . 18 1 1 A 17 17 GLU CA C 17 58.818 58.705 0.113 1
1 111 . 18 1 1 A 17 17 GLU HA H 17 4.184 3.909 0.275 1
1 112 . 18 1 1 A 17 17 GLU CB C 17 29.358 28.397 0.961 1
1 118 . 18 1 1 A 17 17 GLU C C 17 177.178 178.095 -0.917 1
1 119 . 18 1 1 A 18 18 CYS N N 18 127.684 114.890 12.794 1
1 120 . 18 1 1 A 18 18 CYS H H 18 7.913 7.497 0.416 1
1 121 . 18 1 1 A 18 18 CYS CA C 18 58.271 59.759 -1.488 1
1 122 . 18 1 1 A 18 18 CYS HA H 18 5.140 4.651 0.489 1
1 123 . 18 1 1 A 18 18 CYS CB C 18 32.384 29.931 2.453 1
1 126 . 18 1 1 A 18 18 CYS C C 18 176.250 175.399 0.851 1
1 127 . 18 1 1 A 19 19 GLY N N 19 113.588 110.119 3.469 1
1 128 . 18 1 1 A 19 19 GLY H H 19 8.163 8.043 0.120 1
1 129 . 18 1 1 A 19 19 GLY CA C 19 46.206 45.169 1.037 1
1 130 . 18 1 1 A 19 19 GLY HA2 H 19 4.213 4.079 0.134 1
1 131 . 18 1 1 A 19 19 GLY HA3 H 19 3.710 4.094 -0.384 1
1 132 . 18 1 1 A 19 19 GLY C C 19 173.538 174.624 -1.086 1
1 133 . 18 1 1 A 20 20 LYS N N 20 122.672 121.962 0.710 1
1 134 . 18 1 1 A 20 20 LYS H H 20 7.898 7.477 0.421 1
1 135 . 18 1 1 A 20 20 LYS CA C 20 58.243 55.994 2.249 1
1 136 . 18 1 1 A 20 20 LYS HA H 20 3.956 4.247 -0.291 1
1 137 . 18 1 1 A 20 20 LYS CB C 20 33.796 33.741 0.055 1
1 149 . 18 1 1 A 20 20 LYS C C 20 174.305 175.486 -1.181 1
1 150 . 18 1 1 A 21 21 VAL N N 21 117.669 124.119 -6.450 1
1 151 . 18 1 1 A 21 21 VAL H H 21 7.616 7.883 -0.267 1
1 152 . 18 1 1 A 21 21 VAL CA C 21 60.531 60.306 0.225 1
1 153 . 18 1 1 A 21 21 VAL HA H 21 4.729 4.937 -0.208 1
1 154 . 18 1 1 A 21 21 VAL CB C 21 33.937 35.841 -1.904 1
1 164 . 18 1 1 A 21 21 VAL C C 21 175.221 174.126 1.095 1
1 165 . 18 1 1 A 22 22 PHE N N 22 121.686 124.260 -2.574 1
1 166 . 18 1 1 A 22 22 PHE H H 22 8.732 8.866 -0.134 1
1 167 . 18 1 1 A 22 22 PHE CA C 22 56.827 56.303 0.524 1
1 168 . 18 1 1 A 22 22 PHE HA H 22 4.874 5.027 -0.153 1
1 169 . 18 1 1 A 22 22 PHE CB C 22 43.461 43.792 -0.331 1
1 182 . 18 1 1 A 22 22 PHE C C 22 175.698 175.438 0.260 1
1 183 . 18 1 1 A 23 23 THR N N 23 111.308 116.266 -4.958 1
1 184 . 18 1 1 A 23 23 THR H H 23 9.483 8.895 0.588 1
1 185 . 18 1 1 A 23 23 THR CA C 23 63.243 63.767 -0.524 1
1 186 . 18 1 1 A 23 23 THR HA H 23 4.536 4.543 -0.007 1
1 187 . 18 1 1 A 23 23 THR CB C 23 69.668 70.512 -0.844 1
1 193 . 18 1 1 A 23 23 THR C C 23 174.904 173.517 1.387 1
1 194 . 18 1 1 A 24 24 GLN N N 24 128.363 119.815 8.548 1
1 195 . 18 1 1 A 24 24 GLN H H 24 7.069 7.798 -0.729 1
1 196 . 18 1 1 A 24 24 GLN CA C 24 54.007 53.726 0.281 1
1 197 . 18 1 1 A 24 24 GLN HA H 24 4.503 4.098 0.405 1
1 198 . 18 1 1 A 24 24 GLN CB C 24 31.943 30.433 1.510 1
1 207 . 18 1 1 A 24 24 GLN C C 24 175.897 175.434 0.463 1
1 208 . 18 1 1 A 25 25 ASN CA C 25 56.162 56.859 -0.697 1
1 209 . 18 1 1 A 25 25 ASN HA H 25 3.578 3.983 -0.405 1
1 210 . 18 1 1 A 25 25 ASN CB C 25 38.265 38.631 -0.366 1
1 216 . 18 1 1 A 26 26 SER CA C 26 60.828 62.314 -1.486 1
1 217 . 18 1 1 A 26 26 SER HA H 26 4.010 4.062 -0.052 1
1 218 . 18 1 1 A 26 26 SER CB C 26 61.674 62.634 -0.960 1
1 221 . 18 1 1 A 26 26 SER C C 26 177.106 176.482 0.624 1
1 222 . 18 1 1 A 27 27 HIS N N 27 121.567 119.189 2.378 1
1 223 . 18 1 1 A 27 27 HIS H H 27 6.745 7.649 -0.904 1
1 224 . 18 1 1 A 27 27 HIS CA C 27 57.025 58.754 -1.729 1
1 225 . 18 1 1 A 27 27 HIS HA H 27 4.387 4.229 0.158 1
1 226 . 18 1 1 A 27 27 HIS CB C 27 31.749 29.573 2.176 1
1 233 . 18 1 1 A 27 27 HIS C C 27 178.165 177.148 1.017 1
1 234 . 18 1 1 A 28 28 LEU N N 28 122.201 120.553 1.648 1
1 235 . 18 1 1 A 28 28 LEU H H 28 6.890 7.799 -0.909 1
1 236 . 18 1 1 A 28 28 LEU CA C 28 57.568 57.355 0.213 1
1 237 . 18 1 1 A 28 28 LEU HA H 28 3.133 2.820 0.313 1
1 238 . 18 1 1 A 28 28 LEU CB C 28 40.421 41.959 -1.538 1
1 251 . 18 1 1 A 28 28 LEU C C 28 177.398 177.982 -0.584 1
1 252 . 18 1 1 A 29 29 ALA N N 29 120.974 120.584 0.390 1
1 253 . 18 1 1 A 29 29 ALA H H 29 8.291 8.618 -0.327 1
1 254 . 18 1 1 A 29 29 ALA CA C 29 55.296 55.557 -0.261 1
1 255 . 18 1 1 A 29 29 ALA HA H 29 3.906 3.994 -0.088 1
1 256 . 18 1 1 A 29 29 ALA CB C 29 17.744 18.447 -0.703 1
1 260 . 18 1 1 A 29 29 ALA C C 29 180.489 179.658 0.831 1
1 261 . 18 1 1 A 30 30 ARG N N 30 116.427 116.799 -0.372 1
1 262 . 18 1 1 A 30 30 ARG H H 30 7.431 7.974 -0.543 1
1 263 . 18 1 1 A 30 30 ARG CA C 30 58.472 58.955 -0.483 1
1 264 . 18 1 1 A 30 30 ARG HA H 30 4.022 4.045 -0.023 1
1 265 . 18 1 1 A 30 30 ARG CB C 30 30.232 30.035 0.197 1
1 274 . 18 1 1 A 30 30 ARG C C 30 178.403 178.357 0.046 1
1 275 . 18 1 1 A 31 31 HIS N N 31 119.659 120.378 -0.719 1
1 276 . 18 1 1 A 31 31 HIS H H 31 7.576 8.067 -0.491 1
1 277 . 18 1 1 A 31 31 HIS CA C 31 58.796 59.914 -1.118 1
1 278 . 18 1 1 A 31 31 HIS HA H 31 4.203 4.197 0.006 1
1 279 . 18 1 1 A 31 31 HIS CB C 31 28.745 29.945 -1.200 1
1 286 . 18 1 1 A 31 31 HIS C C 31 175.860 176.625 -0.765 1
1 287 . 18 1 1 A 32 32 ARG N N 32 128.186 117.355 10.831 1
1 288 . 18 1 1 A 32 32 ARG H H 32 8.021 8.182 -0.161 1
1 289 . 18 1 1 A 32 32 ARG CA C 32 59.996 58.892 1.104 1
1 290 . 18 1 1 A 32 32 ARG HA H 32 3.735 3.907 -0.172 1
1 291 . 18 1 1 A 32 32 ARG CB C 32 30.005 29.955 0.050 1
1 300 . 18 1 1 A 32 32 ARG C C 32 178.010 179.802 -1.792 1
1 301 . 18 1 1 A 33 33 GLY N N 33 118.610 108.315 10.295 1
1 302 . 18 1 1 A 33 33 GLY H H 33 7.577 8.158 -0.581 1
1 303 . 18 1 1 A 33 33 GLY CA C 33 46.501 47.339 -0.838 1
1 304 . 18 1 1 A 33 33 GLY HA2 H 33 3.856 3.619 0.237 1
1 305 . 18 1 1 A 33 33 GLY HA3 H 33 3.976 3.640 0.336 1
1 306 . 18 1 1 A 33 33 GLY C C 33 175.874 175.973 -0.099 1
1 307 . 18 1 1 A 34 34 ILE N N 34 118.491 120.019 -1.528 1
1 308 . 18 1 1 A 34 34 ILE H H 34 7.804 8.143 -0.339 1
1 309 . 18 1 1 A 34 34 ILE CA C 34 62.728 64.311 -1.583 1
1 310 . 18 1 1 A 34 34 ILE HA H 34 4.012 3.730 0.282 1
1 311 . 18 1 1 A 34 34 ILE CB C 34 37.640 37.288 0.352 1
1 324 . 18 1 1 A 34 34 ILE C C 34 177.422 177.524 -0.102 1
1 325 . 18 1 1 A 35 35 HIS N N 35 117.828 120.195 -2.367 1
1 326 . 18 1 1 A 35 35 HIS H H 35 7.323 7.241 0.082 1
1 327 . 18 1 1 A 35 35 HIS CA C 35 55.311 59.334 -4.023 1
1 328 . 18 1 1 A 35 35 HIS HA H 35 4.861 4.412 0.449 1
1 329 . 18 1 1 A 35 35 HIS CB C 35 28.630 31.204 -2.574 1
1 336 . 18 1 1 A 35 35 HIS C C 35 175.768 176.264 -0.496 1
1 337 . 18 1 1 A 36 36 THR N N 36 112.063 111.168 0.895 1
1 338 . 18 1 1 A 36 36 THR H H 36 7.784 7.591 0.193 1
1 339 . 18 1 1 A 36 36 THR CA C 36 62.436 61.468 0.968 1
1 340 . 18 1 1 A 36 36 THR HA H 36 4.330 4.256 0.074 1
1 341 . 18 1 1 A 36 36 THR CB C 36 69.703 68.577 1.126 1
1 347 . 18 1 1 A 36 36 THR C C 36 175.321 174.452 0.869 1
1 348 . 18 1 1 A 37 37 GLY N N 37 111.105 111.124 -0.019 1
1 349 . 18 1 1 A 37 37 GLY H H 37 8.435 7.655 0.780 1
1 350 . 18 1 1 A 37 37 GLY CA C 37 45.313 45.778 -0.465 1
1 351 . 18 1 1 A 37 37 GLY HA2 H 37 3.969 4.013 -0.044 1
1 352 . 18 1 1 A 37 37 GLY HA3 H 37 3.969 4.022 -0.053 1
1 353 . 18 1 1 A 37 37 GLY C C 37 174.049 173.505 0.544 1
1 354 . 18 1 1 A 38 38 GLU N N 38 120.555 121.264 -0.709 1
1 355 . 18 1 1 A 38 38 GLU H H 38 8.211 8.171 0.040 1
1 356 . 18 1 1 A 38 38 GLU CA C 38 56.448 56.106 0.342 1
1 357 . 18 1 1 A 38 38 GLU HA H 38 4.222 4.284 -0.062 1
1 358 . 18 1 1 A 38 38 GLU CB C 38 36.225 30.391 5.834 1
1 364 . 18 1 1 A 38 38 GLU C C 38 176.258 176.310 -0.052 1
1 365 . 18 1 1 A 39 39 LYS N N 39 123.818 123.345 0.473 1
1 366 . 18 1 1 A 39 39 LYS H H 39 8.392 8.344 0.048 1
1 367 . 18 1 1 A 39 39 LYS CA C 39 54.059 55.394 -1.335 1
1 368 . 18 1 1 A 39 39 LYS HA H 39 4.580 4.268 0.312 1
1 369 . 18 1 1 A 39 39 LYS CB C 39 32.451 32.608 -0.157 1
1 381 . 18 1 1 A 39 39 LYS C C 39 174.049 175.901 -1.852 1
1 382 . 18 1 1 A 40 40 PRO CA C 40 63.172 62.502 0.670 1
1 383 . 18 1 1 A 40 40 PRO HA H 40 4.444 4.606 -0.162 1
1 384 . 18 1 1 A 40 40 PRO CB C 40 32.143 32.681 -0.538 1
1 393 . 18 1 1 A 40 40 PRO C C 40 177.021 177.345 -0.324 1
1 394 . 18 1 1 A 41 41 SER N N 41 116.548 115.412 1.136 1
1 395 . 18 1 1 A 41 41 SER H H 41 8.473 8.517 -0.044 1
1 396 . 18 1 1 A 41 41 SER CA C 41 58.308 60.406 -2.098 1
1 397 . 18 1 1 A 41 41 SER HA H 41 4.455 4.179 0.276 1
1 398 . 18 1 1 A 41 41 SER CB C 41 63.988 63.624 0.364 1
1 401 . 18 1 1 A 41 41 SER C C 41 177.006 175.125 1.881 1
1 402 . 18 1 1 A 42 42 GLY CA C 42 44.654 45.752 -1.098 1
1 403 . 18 1 1 A 42 42 GLY HA2 H 42 4.086 4.088 -0.002 1
1 404 . 18 1 1 A 42 42 GLY HA3 H 42 4.125 4.088 0.037 1
1 405 . 18 1 1 A 43 43 PRO CA C 43 63.217 62.689 0.528 1
1 406 . 18 1 1 A 43 43 PRO HA H 43 4.445 4.622 -0.177 1
1 407 . 18 1 1 A 43 43 PRO CB C 43 32.196 31.713 0.483 1
1 416 . 18 1 1 A 45 45 SER CA C 45 58.418 58.107 0.311 1
1 417 . 18 1 1 A 45 45 SER HA H 45 4.478 4.519 -0.041 1
1 418 . 18 1 1 A 45 45 SER CB C 45 63.838 64.381 -0.543 1
1 420 . 18 1 1 A 45 45 SER C C 45 173.908 174.416 -0.508 1
1 1 . 19 1 1 A 8 8 THR N N 8 112.857 119.724 -6.867 1
1 2 . 19 1 1 A 8 8 THR H H 8 8.147 8.631 -0.484 1
1 3 . 19 1 1 A 8 8 THR CA C 8 61.875 66.399 -4.524 1
1 4 . 19 1 1 A 8 8 THR HA H 8 4.345 3.901 0.444 1
1 5 . 19 1 1 A 8 8 THR CB C 8 70.012 68.392 1.620 1
1 11 . 19 1 1 A 8 8 THR C C 8 175.287 176.054 -0.767 1
1 12 . 19 1 1 A 9 9 GLY N N 9 110.887 109.209 1.678 1
1 13 . 19 1 1 A 9 9 GLY H H 9 8.241 7.741 0.500 1
1 14 . 19 1 1 A 9 9 GLY CA C 9 45.373 44.187 1.186 1
1 15 . 19 1 1 A 9 9 GLY HA2 H 9 4.009 4.042 -0.033 1
1 16 . 19 1 1 A 9 9 GLY HA3 H 9 3.917 4.044 -0.127 1
1 17 . 19 1 1 A 9 9 GLY C C 9 174.121 172.561 1.560 1
1 18 . 19 1 1 A 10 10 GLU N N 10 120.584 120.926 -0.342 1
1 19 . 19 1 1 A 10 10 GLU H H 10 8.075 8.668 -0.593 1
1 20 . 19 1 1 A 10 10 GLU CA C 10 56.436 55.217 1.219 1
1 21 . 19 1 1 A 10 10 GLU HA H 10 4.224 4.988 -0.764 1
1 22 . 19 1 1 A 10 10 GLU CB C 10 30.465 33.470 -3.005 1
1 28 . 19 1 1 A 10 10 GLU C C 10 176.282 173.943 2.339 1
1 29 . 19 1 1 A 11 11 LYS N N 11 123.004 123.686 -0.682 1
1 30 . 19 1 1 A 11 11 LYS H H 11 8.295 8.778 -0.483 1
1 31 . 19 1 1 A 11 11 LYS CA C 11 53.874 53.455 0.419 1
1 32 . 19 1 1 A 11 11 LYS HA H 11 4.515 4.781 -0.266 1
1 33 . 19 1 1 A 11 11 LYS CB C 11 32.609 32.415 0.194 1
1 45 . 19 1 1 A 11 11 LYS C C 11 174.534 176.481 -1.947 1
1 46 . 19 1 1 A 12 12 PRO CA C 12 62.928 64.396 -1.468 1
1 47 . 19 1 1 A 12 12 PRO HA H 12 4.296 4.448 -0.152 1
1 48 . 19 1 1 A 12 12 PRO CB C 12 32.274 31.502 0.772 1
1 57 . 19 1 1 A 12 12 PRO C C 12 176.489 175.828 0.661 1
1 58 . 19 1 1 A 13 13 TYR N N 13 119.870 118.176 1.694 1
1 59 . 19 1 1 A 13 13 TYR H H 13 8.106 7.629 0.477 1
1 60 . 19 1 1 A 13 13 TYR CA C 13 57.209 56.610 0.599 1
1 61 . 19 1 1 A 13 13 TYR HA H 13 4.588 5.230 -0.642 1
1 62 . 19 1 1 A 13 13 TYR CB C 13 38.107 40.223 -2.116 1
1 73 . 19 1 1 A 13 13 TYR C C 13 174.089 174.191 -0.102 1
1 74 . 19 1 1 A 14 14 LYS N N 14 124.673 124.949 -0.276 1
1 75 . 19 1 1 A 14 14 LYS H H 14 8.358 8.993 -0.635 1
1 76 . 19 1 1 A 14 14 LYS CA C 14 54.730 54.648 0.082 1
1 77 . 19 1 1 A 14 14 LYS HA H 14 5.077 5.398 -0.321 1
1 78 . 19 1 1 A 14 14 LYS CB C 14 36.068 36.383 -0.315 1
1 90 . 19 1 1 A 14 14 LYS C C 14 175.181 174.924 0.257 1
1 91 . 19 1 1 A 15 15 CYS N N 15 127.857 124.955 2.902 1
1 92 . 19 1 1 A 15 15 CYS H H 15 9.307 9.302 0.005 1
1 93 . 19 1 1 A 15 15 CYS CA C 15 59.474 59.423 0.051 1
1 94 . 19 1 1 A 15 15 CYS HA H 15 4.524 4.718 -0.194 1
1 95 . 19 1 1 A 15 15 CYS CB C 15 29.634 28.983 0.651 1
1 98 . 19 1 1 A 15 15 CYS C C 15 176.857 174.776 2.081 1
1 99 . 19 1 1 A 16 16 ASN CA C 16 55.608 54.170 1.438 1
1 100 . 19 1 1 A 16 16 ASN HA H 16 4.497 4.900 -0.403 1
1 101 . 19 1 1 A 16 16 ASN CB C 16 38.265 39.663 -1.398 1
1 107 . 19 1 1 A 16 16 ASN C C 16 175.434 177.237 -1.803 1
1 108 . 19 1 1 A 17 17 GLU N N 17 120.770 119.795 0.975 1
1 109 . 19 1 1 A 17 17 GLU H H 17 8.702 7.763 0.939 1
1 110 . 19 1 1 A 17 17 GLU CA C 17 58.818 58.908 -0.090 1
1 111 . 19 1 1 A 17 17 GLU HA H 17 4.184 3.941 0.243 1
1 112 . 19 1 1 A 17 17 GLU CB C 17 29.358 28.542 0.816 1
1 118 . 19 1 1 A 17 17 GLU C C 17 177.178 178.152 -0.974 1
1 119 . 19 1 1 A 18 18 CYS N N 18 127.684 114.992 12.692 1
1 120 . 19 1 1 A 18 18 CYS H H 18 7.913 7.346 0.567 1
1 121 . 19 1 1 A 18 18 CYS CA C 18 58.271 59.828 -1.557 1
1 122 . 19 1 1 A 18 18 CYS HA H 18 5.140 4.597 0.543 1
1 123 . 19 1 1 A 18 18 CYS CB C 18 32.384 29.533 2.851 1
1 126 . 19 1 1 A 18 18 CYS C C 18 176.250 175.326 0.924 1
1 127 . 19 1 1 A 19 19 GLY N N 19 113.588 110.363 3.225 1
1 128 . 19 1 1 A 19 19 GLY H H 19 8.163 8.206 -0.043 1
1 129 . 19 1 1 A 19 19 GLY CA C 19 46.206 45.227 0.979 1
1 130 . 19 1 1 A 19 19 GLY HA2 H 19 4.213 4.057 0.156 1
1 131 . 19 1 1 A 19 19 GLY HA3 H 19 3.710 4.071 -0.361 1
1 132 . 19 1 1 A 19 19 GLY C C 19 173.538 174.474 -0.936 1
1 133 . 19 1 1 A 20 20 LYS N N 20 122.672 121.831 0.841 1
1 134 . 19 1 1 A 20 20 LYS H H 20 7.898 7.463 0.435 1
1 135 . 19 1 1 A 20 20 LYS CA C 20 58.243 55.725 2.518 1
1 136 . 19 1 1 A 20 20 LYS HA H 20 3.956 4.305 -0.349 1
1 137 . 19 1 1 A 20 20 LYS CB C 20 33.796 33.561 0.235 1
1 149 . 19 1 1 A 20 20 LYS C C 20 174.305 175.315 -1.010 1
1 150 . 19 1 1 A 21 21 VAL N N 21 117.669 124.214 -6.545 1
1 151 . 19 1 1 A 21 21 VAL H H 21 7.616 7.966 -0.350 1
1 152 . 19 1 1 A 21 21 VAL CA C 21 60.531 60.442 0.089 1
1 153 . 19 1 1 A 21 21 VAL HA H 21 4.729 4.954 -0.225 1
1 154 . 19 1 1 A 21 21 VAL CB C 21 33.937 35.223 -1.286 1
1 164 . 19 1 1 A 21 21 VAL C C 21 175.221 174.386 0.835 1
1 165 . 19 1 1 A 22 22 PHE N N 22 121.686 124.542 -2.856 1
1 166 . 19 1 1 A 22 22 PHE H H 22 8.732 9.092 -0.360 1
1 167 . 19 1 1 A 22 22 PHE CA C 22 56.827 56.342 0.485 1
1 168 . 19 1 1 A 22 22 PHE HA H 22 4.874 5.011 -0.137 1
1 169 . 19 1 1 A 22 22 PHE CB C 22 43.461 43.631 -0.170 1
1 182 . 19 1 1 A 22 22 PHE C C 22 175.698 174.813 0.885 1
1 183 . 19 1 1 A 23 23 THR N N 23 111.308 116.840 -5.532 1
1 184 . 19 1 1 A 23 23 THR H H 23 9.483 8.848 0.635 1
1 185 . 19 1 1 A 23 23 THR CA C 23 63.243 61.407 1.836 1
1 186 . 19 1 1 A 23 23 THR HA H 23 4.536 4.737 -0.201 1
1 187 . 19 1 1 A 23 23 THR CB C 23 69.668 69.778 -0.110 1
1 193 . 19 1 1 A 23 23 THR C C 23 174.904 173.783 1.121 1
1 194 . 19 1 1 A 24 24 GLN N N 24 128.363 122.101 6.262 1
1 195 . 19 1 1 A 24 24 GLN H H 24 7.069 7.545 -0.476 1
1 196 . 19 1 1 A 24 24 GLN CA C 24 54.007 55.474 -1.467 1
1 197 . 19 1 1 A 24 24 GLN HA H 24 4.503 4.122 0.381 1
1 198 . 19 1 1 A 24 24 GLN CB C 24 31.943 30.140 1.803 1
1 207 . 19 1 1 A 24 24 GLN C C 24 175.897 174.817 1.080 1
1 208 . 19 1 1 A 25 25 ASN CA C 25 56.162 55.510 0.652 1
1 209 . 19 1 1 A 25 25 ASN HA H 25 3.578 3.735 -0.157 1
1 210 . 19 1 1 A 25 25 ASN CB C 25 38.265 37.623 0.642 1
1 216 . 19 1 1 A 26 26 SER CA C 26 60.828 61.585 -0.757 1
1 217 . 19 1 1 A 26 26 SER HA H 26 4.010 4.013 -0.003 1
1 218 . 19 1 1 A 26 26 SER CB C 26 61.674 62.925 -1.251 1
1 221 . 19 1 1 A 26 26 SER C C 26 177.106 177.012 0.094 1
1 222 . 19 1 1 A 27 27 HIS N N 27 121.567 118.801 2.766 1
1 223 . 19 1 1 A 27 27 HIS H H 27 6.745 7.925 -1.180 1
1 224 . 19 1 1 A 27 27 HIS CA C 27 57.025 58.359 -1.334 1
1 225 . 19 1 1 A 27 27 HIS HA H 27 4.387 4.298 0.089 1
1 226 . 19 1 1 A 27 27 HIS CB C 27 31.749 29.424 2.325 1
1 233 . 19 1 1 A 27 27 HIS C C 27 178.165 176.991 1.174 1
1 234 . 19 1 1 A 28 28 LEU N N 28 122.201 120.540 1.661 1
1 235 . 19 1 1 A 28 28 LEU H H 28 6.890 7.558 -0.668 1
1 236 . 19 1 1 A 28 28 LEU CA C 28 57.568 57.596 -0.028 1
1 237 . 19 1 1 A 28 28 LEU HA H 28 3.133 3.093 0.040 1
1 238 . 19 1 1 A 28 28 LEU CB C 28 40.421 41.971 -1.550 1
1 251 . 19 1 1 A 28 28 LEU C C 28 177.398 177.987 -0.589 1
1 252 . 19 1 1 A 29 29 ALA N N 29 120.974 120.317 0.657 1
1 253 . 19 1 1 A 29 29 ALA H H 29 8.291 8.651 -0.360 1
1 254 . 19 1 1 A 29 29 ALA CA C 29 55.296 55.396 -0.100 1
1 255 . 19 1 1 A 29 29 ALA HA H 29 3.906 3.974 -0.068 1
1 256 . 19 1 1 A 29 29 ALA CB C 29 17.744 18.389 -0.645 1
1 260 . 19 1 1 A 29 29 ALA C C 29 180.489 179.597 0.892 1
1 261 . 19 1 1 A 30 30 ARG N N 30 116.427 116.717 -0.290 1
1 262 . 19 1 1 A 30 30 ARG H H 30 7.431 7.897 -0.466 1
1 263 . 19 1 1 A 30 30 ARG CA C 30 58.472 59.022 -0.550 1
1 264 . 19 1 1 A 30 30 ARG HA H 30 4.022 4.052 -0.030 1
1 265 . 19 1 1 A 30 30 ARG CB C 30 30.232 29.775 0.457 1
1 274 . 19 1 1 A 30 30 ARG C C 30 178.403 178.342 0.061 1
1 275 . 19 1 1 A 31 31 HIS N N 31 119.659 120.048 -0.389 1
1 276 . 19 1 1 A 31 31 HIS H H 31 7.576 8.403 -0.827 1
1 277 . 19 1 1 A 31 31 HIS CA C 31 58.796 59.810 -1.014 1
1 278 . 19 1 1 A 31 31 HIS HA H 31 4.203 4.165 0.038 1
1 279 . 19 1 1 A 31 31 HIS CB C 31 28.745 29.537 -0.792 1
1 286 . 19 1 1 A 31 31 HIS C C 31 175.860 177.230 -1.370 1
1 287 . 19 1 1 A 32 32 ARG N N 32 128.186 117.926 10.260 1
1 288 . 19 1 1 A 32 32 ARG H H 32 8.021 8.232 -0.211 1
1 289 . 19 1 1 A 32 32 ARG CA C 32 59.996 58.892 1.104 1
1 290 . 19 1 1 A 32 32 ARG HA H 32 3.735 3.939 -0.204 1
1 291 . 19 1 1 A 32 32 ARG CB C 32 30.005 29.928 0.077 1
1 300 . 19 1 1 A 32 32 ARG C C 32 178.010 179.787 -1.777 1
1 301 . 19 1 1 A 33 33 GLY N N 33 118.610 108.341 10.269 1
1 302 . 19 1 1 A 33 33 GLY H H 33 7.577 8.298 -0.721 1
1 303 . 19 1 1 A 33 33 GLY CA C 33 46.501 47.337 -0.836 1
1 304 . 19 1 1 A 33 33 GLY HA2 H 33 3.856 3.602 0.254 1
1 305 . 19 1 1 A 33 33 GLY HA3 H 33 3.976 3.624 0.352 1
1 306 . 19 1 1 A 33 33 GLY C C 33 175.874 175.830 0.044 1
1 307 . 19 1 1 A 34 34 ILE N N 34 118.491 120.045 -1.554 1
1 308 . 19 1 1 A 34 34 ILE H H 34 7.804 7.982 -0.178 1
1 309 . 19 1 1 A 34 34 ILE CA C 34 62.728 63.926 -1.198 1
1 310 . 19 1 1 A 34 34 ILE HA H 34 4.012 3.751 0.261 1
1 311 . 19 1 1 A 34 34 ILE CB C 34 37.640 37.322 0.318 1
1 324 . 19 1 1 A 34 34 ILE C C 34 177.422 177.344 0.078 1
1 325 . 19 1 1 A 35 35 HIS N N 35 117.828 119.588 -1.760 1
1 326 . 19 1 1 A 35 35 HIS H H 35 7.323 7.360 -0.037 1
1 327 . 19 1 1 A 35 35 HIS CA C 35 55.311 57.368 -2.057 1
1 328 . 19 1 1 A 35 35 HIS HA H 35 4.861 4.516 0.345 1
1 329 . 19 1 1 A 35 35 HIS CB C 35 28.630 31.430 -2.800 1
1 336 . 19 1 1 A 35 35 HIS C C 35 175.768 175.408 0.360 1
1 337 . 19 1 1 A 36 36 THR N N 36 112.063 111.272 0.791 1
1 338 . 19 1 1 A 36 36 THR H H 36 7.784 7.787 -0.003 1
1 339 . 19 1 1 A 36 36 THR CA C 36 62.436 59.796 2.640 1
1 340 . 19 1 1 A 36 36 THR HA H 36 4.330 4.654 -0.324 1
1 341 . 19 1 1 A 36 36 THR CB C 36 69.703 70.635 -0.932 1
1 347 . 19 1 1 A 36 36 THR C C 36 175.321 173.913 1.408 1
1 348 . 19 1 1 A 37 37 GLY N N 37 111.105 114.577 -3.472 1
1 349 . 19 1 1 A 37 37 GLY H H 37 8.435 8.244 0.191 1
1 350 . 19 1 1 A 37 37 GLY CA C 37 45.313 45.500 -0.187 1
1 351 . 19 1 1 A 37 37 GLY HA2 H 37 3.969 3.990 -0.021 1
1 352 . 19 1 1 A 37 37 GLY HA3 H 37 3.969 3.998 -0.029 1
1 353 . 19 1 1 A 37 37 GLY C C 37 174.049 174.236 -0.187 1
1 354 . 19 1 1 A 38 38 GLU N N 38 120.555 116.994 3.561 1
1 355 . 19 1 1 A 38 38 GLU H H 38 8.211 8.084 0.127 1
1 356 . 19 1 1 A 38 38 GLU CA C 38 56.448 55.240 1.208 1
1 357 . 19 1 1 A 38 38 GLU HA H 38 4.222 4.517 -0.295 1
1 358 . 19 1 1 A 38 38 GLU CB C 38 36.225 29.373 6.852 1
1 364 . 19 1 1 A 38 38 GLU C C 38 176.258 176.693 -0.435 1
1 365 . 19 1 1 A 39 39 LYS N N 39 123.818 122.936 0.882 1
1 366 . 19 1 1 A 39 39 LYS H H 39 8.392 7.297 1.095 1
1 367 . 19 1 1 A 39 39 LYS CA C 39 54.059 55.252 -1.193 1
1 368 . 19 1 1 A 39 39 LYS HA H 39 4.580 4.331 0.249 1
1 369 . 19 1 1 A 39 39 LYS CB C 39 32.451 32.111 0.340 1
1 381 . 19 1 1 A 39 39 LYS C C 39 174.049 176.997 -2.948 1
1 382 . 19 1 1 A 40 40 PRO CA C 40 63.172 64.806 -1.634 1
1 383 . 19 1 1 A 40 40 PRO HA H 40 4.444 4.470 -0.026 1
1 384 . 19 1 1 A 40 40 PRO CB C 40 32.143 32.145 -0.002 1
1 393 . 19 1 1 A 40 40 PRO C C 40 177.021 176.697 0.324 1
1 394 . 19 1 1 A 41 41 SER N N 41 116.548 113.260 3.288 1
1 395 . 19 1 1 A 41 41 SER H H 41 8.473 7.794 0.679 1
1 396 . 19 1 1 A 41 41 SER CA C 41 58.308 57.559 0.749 1
1 397 . 19 1 1 A 41 41 SER HA H 41 4.455 4.963 -0.508 1
1 398 . 19 1 1 A 41 41 SER CB C 41 63.988 67.398 -3.410 1
1 401 . 19 1 1 A 41 41 SER C C 41 177.006 173.671 3.335 1
1 402 . 19 1 1 A 42 42 GLY CA C 42 44.654 46.155 -1.501 1
1 403 . 19 1 1 A 42 42 GLY HA2 H 42 4.086 4.079 0.007 1
1 404 . 19 1 1 A 42 42 GLY HA3 H 42 4.125 4.080 0.045 1
1 405 . 19 1 1 A 43 43 PRO CA C 43 63.217 62.388 0.829 1
1 406 . 19 1 1 A 43 43 PRO HA H 43 4.445 4.695 -0.250 1
1 407 . 19 1 1 A 43 43 PRO CB C 43 32.196 29.574 2.622 1
1 416 . 19 1 1 A 45 45 SER CA C 45 58.418 59.510 -1.092 1
1 417 . 19 1 1 A 45 45 SER HA H 45 4.478 4.226 0.252 1
1 418 . 19 1 1 A 45 45 SER CB C 45 63.838 61.864 1.974 1
1 420 . 19 1 1 A 45 45 SER C C 45 173.908 174.578 -0.670 1
1 1 . 20 1 1 A 8 8 THR N N 8 112.857 112.442 0.415 1
1 2 . 20 1 1 A 8 8 THR H H 8 8.147 7.755 0.392 1
1 3 . 20 1 1 A 8 8 THR CA C 8 61.875 60.546 1.329 1
1 4 . 20 1 1 A 8 8 THR HA H 8 4.345 5.188 -0.843 1
1 5 . 20 1 1 A 8 8 THR CB C 8 70.012 70.154 -0.142 1
1 11 . 20 1 1 A 8 8 THR C C 8 175.287 173.812 1.475 1
1 12 . 20 1 1 A 9 9 GLY N N 9 110.887 109.792 1.095 1
1 13 . 20 1 1 A 9 9 GLY H H 9 8.241 8.415 -0.174 1
1 14 . 20 1 1 A 9 9 GLY CA C 9 45.373 45.211 0.162 1
1 15 . 20 1 1 A 9 9 GLY HA2 H 9 4.009 4.150 -0.141 1
1 16 . 20 1 1 A 9 9 GLY HA3 H 9 3.917 4.156 -0.239 1
1 17 . 20 1 1 A 9 9 GLY C C 9 174.121 172.665 1.456 1
1 18 . 20 1 1 A 10 10 GLU N N 10 120.584 121.623 -1.039 1
1 19 . 20 1 1 A 10 10 GLU H H 10 8.075 8.879 -0.804 1
1 20 . 20 1 1 A 10 10 GLU CA C 10 56.436 54.550 1.886 1
1 21 . 20 1 1 A 10 10 GLU HA H 10 4.224 4.950 -0.726 1
1 22 . 20 1 1 A 10 10 GLU CB C 10 30.465 34.147 -3.682 1
1 28 . 20 1 1 A 10 10 GLU C C 10 176.282 174.289 1.993 1
1 29 . 20 1 1 A 11 11 LYS N N 11 123.004 118.249 4.755 1
1 30 . 20 1 1 A 11 11 LYS H H 11 8.295 8.512 -0.217 1
1 31 . 20 1 1 A 11 11 LYS CA C 11 53.874 53.407 0.467 1
1 32 . 20 1 1 A 11 11 LYS HA H 11 4.515 4.767 -0.252 1
1 33 . 20 1 1 A 11 11 LYS CB C 11 32.609 32.503 0.106 1
1 45 . 20 1 1 A 11 11 LYS C C 11 174.534 176.444 -1.910 1
1 46 . 20 1 1 A 12 12 PRO CA C 12 62.928 64.189 -1.261 1
1 47 . 20 1 1 A 12 12 PRO HA H 12 4.296 4.434 -0.138 1
1 48 . 20 1 1 A 12 12 PRO CB C 12 32.274 31.463 0.811 1
1 57 . 20 1 1 A 12 12 PRO C C 12 176.489 175.761 0.728 1
1 58 . 20 1 1 A 13 13 TYR N N 13 119.870 118.234 1.636 1
1 59 . 20 1 1 A 13 13 TYR H H 13 8.106 7.569 0.537 1
1 60 . 20 1 1 A 13 13 TYR CA C 13 57.209 56.555 0.654 1
1 61 . 20 1 1 A 13 13 TYR HA H 13 4.588 5.269 -0.681 1
1 62 . 20 1 1 A 13 13 TYR CB C 13 38.107 40.462 -2.355 1
1 73 . 20 1 1 A 13 13 TYR C C 13 174.089 174.145 -0.056 1
1 74 . 20 1 1 A 14 14 LYS N N 14 124.673 125.019 -0.346 1
1 75 . 20 1 1 A 14 14 LYS H H 14 8.358 9.008 -0.650 1
1 76 . 20 1 1 A 14 14 LYS CA C 14 54.730 54.771 -0.041 1
1 77 . 20 1 1 A 14 14 LYS HA H 14 5.077 5.384 -0.307 1
1 78 . 20 1 1 A 14 14 LYS CB C 14 36.068 36.226 -0.158 1
1 90 . 20 1 1 A 14 14 LYS C C 14 175.181 175.144 0.037 1
1 91 . 20 1 1 A 15 15 CYS N N 15 127.857 125.384 2.473 1
1 92 . 20 1 1 A 15 15 CYS H H 15 9.307 9.347 -0.040 1
1 93 . 20 1 1 A 15 15 CYS CA C 15 59.474 59.740 -0.266 1
1 94 . 20 1 1 A 15 15 CYS HA H 15 4.524 4.639 -0.115 1
1 95 . 20 1 1 A 15 15 CYS CB C 15 29.634 28.735 0.899 1
1 98 . 20 1 1 A 15 15 CYS C C 15 176.857 174.837 2.020 1
1 99 . 20 1 1 A 16 16 ASN CA C 16 55.608 54.520 1.088 1
1 100 . 20 1 1 A 16 16 ASN HA H 16 4.497 4.698 -0.201 1
1 101 . 20 1 1 A 16 16 ASN CB C 16 38.265 39.568 -1.303 1
1 107 . 20 1 1 A 16 16 ASN C C 16 175.434 177.395 -1.961 1
1 108 . 20 1 1 A 17 17 GLU N N 17 120.770 118.483 2.287 1
1 109 . 20 1 1 A 17 17 GLU H H 17 8.702 7.838 0.864 1
1 110 . 20 1 1 A 17 17 GLU CA C 17 58.818 58.841 -0.023 1
1 111 . 20 1 1 A 17 17 GLU HA H 17 4.184 3.938 0.246 1
1 112 . 20 1 1 A 17 17 GLU CB C 17 29.358 28.613 0.745 1
1 118 . 20 1 1 A 17 17 GLU C C 17 177.178 178.042 -0.864 1
1 119 . 20 1 1 A 18 18 CYS N N 18 127.684 114.818 12.866 1
1 120 . 20 1 1 A 18 18 CYS H H 18 7.913 7.480 0.433 1
1 121 . 20 1 1 A 18 18 CYS CA C 18 58.271 59.614 -1.343 1
1 122 . 20 1 1 A 18 18 CYS HA H 18 5.140 4.584 0.556 1
1 123 . 20 1 1 A 18 18 CYS CB C 18 32.384 29.742 2.642 1
1 126 . 20 1 1 A 18 18 CYS C C 18 176.250 175.280 0.970 1
1 127 . 20 1 1 A 19 19 GLY N N 19 113.588 110.329 3.259 1
1 128 . 20 1 1 A 19 19 GLY H H 19 8.163 8.105 0.058 1
1 129 . 20 1 1 A 19 19 GLY CA C 19 46.206 45.172 1.034 1
1 130 . 20 1 1 A 19 19 GLY HA2 H 19 4.213 4.066 0.147 1
1 131 . 20 1 1 A 19 19 GLY HA3 H 19 3.710 4.083 -0.373 1
1 132 . 20 1 1 A 19 19 GLY C C 19 173.538 174.666 -1.128 1
1 133 . 20 1 1 A 20 20 LYS N N 20 122.672 121.993 0.679 1
1 134 . 20 1 1 A 20 20 LYS H H 20 7.898 7.488 0.410 1
1 135 . 20 1 1 A 20 20 LYS CA C 20 58.243 55.925 2.318 1
1 136 . 20 1 1 A 20 20 LYS HA H 20 3.956 4.273 -0.317 1
1 137 . 20 1 1 A 20 20 LYS CB C 20 33.796 33.617 0.179 1
1 149 . 20 1 1 A 20 20 LYS C C 20 174.305 175.455 -1.150 1
1 150 . 20 1 1 A 21 21 VAL N N 21 117.669 124.259 -6.590 1
1 151 . 20 1 1 A 21 21 VAL H H 21 7.616 7.961 -0.345 1
1 152 . 20 1 1 A 21 21 VAL CA C 21 60.531 60.546 -0.015 1
1 153 . 20 1 1 A 21 21 VAL HA H 21 4.729 5.201 -0.472 1
1 154 . 20 1 1 A 21 21 VAL CB C 21 33.937 35.281 -1.344 1
1 164 . 20 1 1 A 21 21 VAL C C 21 175.221 174.325 0.896 1
1 165 . 20 1 1 A 22 22 PHE N N 22 121.686 124.296 -2.610 1
1 166 . 20 1 1 A 22 22 PHE H H 22 8.732 9.183 -0.451 1
1 167 . 20 1 1 A 22 22 PHE CA C 22 56.827 56.503 0.324 1
1 168 . 20 1 1 A 22 22 PHE HA H 22 4.874 5.091 -0.217 1
1 169 . 20 1 1 A 22 22 PHE CB C 22 43.461 43.960 -0.499 1
1 182 . 20 1 1 A 22 22 PHE C C 22 175.698 175.590 0.108 1
1 183 . 20 1 1 A 23 23 THR N N 23 111.308 113.466 -2.158 1
1 184 . 20 1 1 A 23 23 THR H H 23 9.483 8.826 0.657 1
1 185 . 20 1 1 A 23 23 THR CA C 23 63.243 62.397 0.846 1
1 186 . 20 1 1 A 23 23 THR HA H 23 4.536 4.731 -0.195 1
1 187 . 20 1 1 A 23 23 THR CB C 23 69.668 69.887 -0.219 1
1 193 . 20 1 1 A 23 23 THR C C 23 174.904 173.785 1.119 1
1 194 . 20 1 1 A 24 24 GLN N N 24 128.363 120.651 7.712 1
1 195 . 20 1 1 A 24 24 GLN H H 24 7.069 7.293 -0.224 1
1 196 . 20 1 1 A 24 24 GLN CA C 24 54.007 53.599 0.408 1
1 197 . 20 1 1 A 24 24 GLN HA H 24 4.503 4.178 0.325 1
1 198 . 20 1 1 A 24 24 GLN CB C 24 31.943 30.148 1.795 1
1 207 . 20 1 1 A 24 24 GLN C C 24 175.897 176.109 -0.212 1
1 208 . 20 1 1 A 25 25 ASN CA C 25 56.162 55.779 0.383 1
1 209 . 20 1 1 A 25 25 ASN HA H 25 3.578 3.926 -0.348 1
1 210 . 20 1 1 A 25 25 ASN CB C 25 38.265 37.587 0.678 1
1 216 . 20 1 1 A 26 26 SER CA C 26 60.828 61.711 -0.883 1
1 217 . 20 1 1 A 26 26 SER HA H 26 4.010 3.986 0.024 1
1 218 . 20 1 1 A 26 26 SER CB C 26 61.674 62.859 -1.185 1
1 221 . 20 1 1 A 26 26 SER C C 26 177.106 177.007 0.099 1
1 222 . 20 1 1 A 27 27 HIS N N 27 121.567 119.227 2.340 1
1 223 . 20 1 1 A 27 27 HIS H H 27 6.745 7.615 -0.870 1
1 224 . 20 1 1 A 27 27 HIS CA C 27 57.025 58.429 -1.404 1
1 225 . 20 1 1 A 27 27 HIS HA H 27 4.387 4.271 0.116 1
1 226 . 20 1 1 A 27 27 HIS CB C 27 31.749 29.540 2.209 1
1 233 . 20 1 1 A 27 27 HIS C C 27 178.165 176.963 1.202 1
1 234 . 20 1 1 A 28 28 LEU N N 28 122.201 120.621 1.580 1
1 235 . 20 1 1 A 28 28 LEU H H 28 6.890 7.783 -0.893 1
1 236 . 20 1 1 A 28 28 LEU CA C 28 57.568 57.439 0.129 1
1 237 . 20 1 1 A 28 28 LEU HA H 28 3.133 3.084 0.049 1
1 238 . 20 1 1 A 28 28 LEU CB C 28 40.421 41.916 -1.495 1
1 251 . 20 1 1 A 28 28 LEU C C 28 177.398 177.999 -0.601 1
1 252 . 20 1 1 A 29 29 ALA N N 29 120.974 120.317 0.657 1
1 253 . 20 1 1 A 29 29 ALA H H 29 8.291 8.671 -0.380 1
1 254 . 20 1 1 A 29 29 ALA CA C 29 55.296 55.416 -0.120 1
1 255 . 20 1 1 A 29 29 ALA HA H 29 3.906 3.997 -0.091 1
1 256 . 20 1 1 A 29 29 ALA CB C 29 17.744 18.495 -0.751 1
1 260 . 20 1 1 A 29 29 ALA C C 29 180.489 179.671 0.818 1
1 261 . 20 1 1 A 30 30 ARG N N 30 116.427 116.977 -0.550 1
1 262 . 20 1 1 A 30 30 ARG H H 30 7.431 8.178 -0.747 1
1 263 . 20 1 1 A 30 30 ARG CA C 30 58.472 58.901 -0.429 1
1 264 . 20 1 1 A 30 30 ARG HA H 30 4.022 4.043 -0.021 1
1 265 . 20 1 1 A 30 30 ARG CB C 30 30.232 29.904 0.328 1
1 274 . 20 1 1 A 30 30 ARG C C 30 178.403 178.371 0.032 1
1 275 . 20 1 1 A 31 31 HIS N N 31 119.659 120.118 -0.459 1
1 276 . 20 1 1 A 31 31 HIS H H 31 7.576 7.996 -0.420 1
1 277 . 20 1 1 A 31 31 HIS CA C 31 58.796 59.873 -1.077 1
1 278 . 20 1 1 A 31 31 HIS HA H 31 4.203 4.173 0.030 1
1 279 . 20 1 1 A 31 31 HIS CB C 31 28.745 29.289 -0.544 1
1 286 . 20 1 1 A 31 31 HIS C C 31 175.860 177.121 -1.261 1
1 287 . 20 1 1 A 32 32 ARG N N 32 128.186 117.552 10.634 1
1 288 . 20 1 1 A 32 32 ARG H H 32 8.021 8.325 -0.304 1
1 289 . 20 1 1 A 32 32 ARG CA C 32 59.996 58.951 1.045 1
1 290 . 20 1 1 A 32 32 ARG HA H 32 3.735 3.886 -0.151 1
1 291 . 20 1 1 A 32 32 ARG CB C 32 30.005 29.921 0.084 1
1 300 . 20 1 1 A 32 32 ARG C C 32 178.010 179.624 -1.614 1
1 301 . 20 1 1 A 33 33 GLY N N 33 118.610 107.996 10.614 1
1 302 . 20 1 1 A 33 33 GLY H H 33 7.577 8.005 -0.428 1
1 303 . 20 1 1 A 33 33 GLY CA C 33 46.501 46.667 -0.166 1
1 304 . 20 1 1 A 33 33 GLY HA2 H 33 3.856 3.687 0.169 1
1 305 . 20 1 1 A 33 33 GLY HA3 H 33 3.976 3.705 0.271 1
1 306 . 20 1 1 A 33 33 GLY C C 33 175.874 175.983 -0.109 1
1 307 . 20 1 1 A 34 34 ILE N N 34 118.491 119.003 -0.512 1
1 308 . 20 1 1 A 34 34 ILE H H 34 7.804 7.944 -0.140 1
1 309 . 20 1 1 A 34 34 ILE CA C 34 62.728 64.380 -1.652 1
1 310 . 20 1 1 A 34 34 ILE HA H 34 4.012 3.707 0.305 1
1 311 . 20 1 1 A 34 34 ILE CB C 34 37.640 36.928 0.712 1
1 324 . 20 1 1 A 34 34 ILE C C 34 177.422 177.713 -0.291 1
1 325 . 20 1 1 A 35 35 HIS N N 35 117.828 119.490 -1.662 1
1 326 . 20 1 1 A 35 35 HIS H H 35 7.323 7.239 0.084 1
1 327 . 20 1 1 A 35 35 HIS CA C 35 55.311 59.202 -3.891 1
1 328 . 20 1 1 A 35 35 HIS HA H 35 4.861 4.423 0.438 1
1 329 . 20 1 1 A 35 35 HIS CB C 35 28.630 31.038 -2.408 1
1 336 . 20 1 1 A 35 35 HIS C C 35 175.768 175.910 -0.142 1
1 337 . 20 1 1 A 36 36 THR N N 36 112.063 106.939 5.124 1
1 338 . 20 1 1 A 36 36 THR H H 36 7.784 7.539 0.245 1
1 339 . 20 1 1 A 36 36 THR CA C 36 62.436 61.658 0.778 1
1 340 . 20 1 1 A 36 36 THR HA H 36 4.330 4.273 0.057 1
1 341 . 20 1 1 A 36 36 THR CB C 36 69.703 68.219 1.484 1
1 347 . 20 1 1 A 36 36 THR C C 36 175.321 174.947 0.374 1
1 348 . 20 1 1 A 37 37 GLY N N 37 111.105 112.667 -1.562 1
1 349 . 20 1 1 A 37 37 GLY H H 37 8.435 8.309 0.126 1
1 350 . 20 1 1 A 37 37 GLY CA C 37 45.313 45.198 0.115 1
1 351 . 20 1 1 A 37 37 GLY HA2 H 37 3.969 4.077 -0.108 1
1 352 . 20 1 1 A 37 37 GLY HA3 H 37 3.969 4.084 -0.115 1
1 353 . 20 1 1 A 37 37 GLY C C 37 174.049 173.976 0.073 1
1 354 . 20 1 1 A 38 38 GLU N N 38 120.555 120.113 0.442 1
1 355 . 20 1 1 A 38 38 GLU H H 38 8.211 7.863 0.348 1
1 356 . 20 1 1 A 38 38 GLU CA C 38 56.448 55.364 1.084 1
1 357 . 20 1 1 A 38 38 GLU HA H 38 4.222 4.738 -0.516 1
1 358 . 20 1 1 A 38 38 GLU CB C 38 36.225 30.409 5.816 1
1 364 . 20 1 1 A 38 38 GLU C C 38 176.258 174.866 1.392 1
1 365 . 20 1 1 A 39 39 LYS N N 39 123.818 121.477 2.341 1
1 366 . 20 1 1 A 39 39 LYS H H 39 8.392 8.148 0.244 1
1 367 . 20 1 1 A 39 39 LYS CA C 39 54.059 53.575 0.484 1
1 368 . 20 1 1 A 39 39 LYS HA H 39 4.580 4.837 -0.257 1
1 369 . 20 1 1 A 39 39 LYS CB C 39 32.451 33.061 -0.610 1
1 381 . 20 1 1 A 39 39 LYS C C 39 174.049 175.640 -1.591 1
1 382 . 20 1 1 A 40 40 PRO CA C 40 63.172 64.822 -1.650 1
1 383 . 20 1 1 A 40 40 PRO HA H 40 4.444 4.459 -0.015 1
1 384 . 20 1 1 A 40 40 PRO CB C 40 32.143 32.109 0.034 1
1 393 . 20 1 1 A 40 40 PRO C C 40 177.021 176.757 0.264 1
1 394 . 20 1 1 A 41 41 SER N N 41 116.548 113.152 3.396 1
1 395 . 20 1 1 A 41 41 SER H H 41 8.473 7.708 0.765 1
1 396 . 20 1 1 A 41 41 SER CA C 41 58.308 57.883 0.425 1
1 397 . 20 1 1 A 41 41 SER HA H 41 4.455 5.147 -0.692 1
1 398 . 20 1 1 A 41 41 SER CB C 41 63.988 66.637 -2.649 1
1 401 . 20 1 1 A 41 41 SER C C 41 177.006 173.484 3.522 1
1 402 . 20 1 1 A 42 42 GLY CA C 42 44.654 43.828 0.826 1
1 403 . 20 1 1 A 42 42 GLY HA2 H 42 4.086 4.190 -0.104 1
1 404 . 20 1 1 A 42 42 GLY HA3 H 42 4.125 4.190 -0.065 1
1 405 . 20 1 1 A 43 43 PRO CA C 43 63.217 62.860 0.357 1
1 406 . 20 1 1 A 43 43 PRO HA H 43 4.445 4.436 0.009 1
1 407 . 20 1 1 A 43 43 PRO CB C 43 32.196 32.046 0.150 1
1 416 . 20 1 1 A 45 45 SER CA C 45 58.418 57.984 0.434 1
1 417 . 20 1 1 A 45 45 SER HA H 45 4.478 4.943 -0.465 1
1 418 . 20 1 1 A 45 45 SER CB C 45 63.838 64.388 -0.550 1
1 420 . 20 1 1 A 45 45 SER C C 45 173.908 174.109 -0.201 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 34 1.085 1
2 1 1 1 "RMS(OBS, PRED)" CA 37 1.123 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.673 1
4 1 1 1 "RMS(OBS, PRED)" H 29 0.544 1
5 1 1 1 "RMS(OBS, PRED)" HA 42 0.314 1
6 1 1 1 "RMS(OBS, PRED)" N 29 4.670 1
7 1 2 1 "RMS(OBS, PRED)" C 34 1.286 1
8 1 2 1 "RMS(OBS, PRED)" CA 37 1.358 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.512 1
10 1 2 1 "RMS(OBS, PRED)" H 29 0.555 1
11 1 2 1 "RMS(OBS, PRED)" HA 42 0.342 1
12 1 2 1 "RMS(OBS, PRED)" N 29 4.721 1
13 1 3 1 "RMS(OBS, PRED)" C 34 1.197 1
14 1 3 1 "RMS(OBS, PRED)" CA 37 1.356 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.675 1
16 1 3 1 "RMS(OBS, PRED)" H 29 0.523 1
17 1 3 1 "RMS(OBS, PRED)" HA 42 0.297 1
18 1 3 1 "RMS(OBS, PRED)" N 29 4.624 1
19 1 4 1 "RMS(OBS, PRED)" C 34 1.141 1
20 1 4 1 "RMS(OBS, PRED)" CA 37 1.239 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.509 1
22 1 4 1 "RMS(OBS, PRED)" H 29 0.497 1
23 1 4 1 "RMS(OBS, PRED)" HA 42 0.283 1
24 1 4 1 "RMS(OBS, PRED)" N 29 4.566 1
25 1 5 1 "RMS(OBS, PRED)" C 34 1.194 1
26 1 5 1 "RMS(OBS, PRED)" CA 37 1.118 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.377 1
28 1 5 1 "RMS(OBS, PRED)" H 29 0.520 1
29 1 5 1 "RMS(OBS, PRED)" HA 42 0.306 1
30 1 5 1 "RMS(OBS, PRED)" N 29 4.891 1
31 1 6 1 "RMS(OBS, PRED)" C 34 1.120 1
32 1 6 1 "RMS(OBS, PRED)" CA 37 1.438 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.629 1
34 1 6 1 "RMS(OBS, PRED)" H 29 0.479 1
35 1 6 1 "RMS(OBS, PRED)" HA 42 0.308 1
36 1 6 1 "RMS(OBS, PRED)" N 29 4.873 1
37 1 7 1 "RMS(OBS, PRED)" C 34 1.232 1
38 1 7 1 "RMS(OBS, PRED)" CA 37 1.161 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.680 1
40 1 7 1 "RMS(OBS, PRED)" H 29 0.553 1
41 1 7 1 "RMS(OBS, PRED)" HA 42 0.286 1
42 1 7 1 "RMS(OBS, PRED)" N 29 4.607 1
43 1 8 1 "RMS(OBS, PRED)" C 34 1.110 1
44 1 8 1 "RMS(OBS, PRED)" CA 37 1.144 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.674 1
46 1 8 1 "RMS(OBS, PRED)" H 29 0.546 1
47 1 8 1 "RMS(OBS, PRED)" HA 42 0.313 1
48 1 8 1 "RMS(OBS, PRED)" N 29 4.607 1
49 1 9 1 "RMS(OBS, PRED)" C 34 0.994 1
50 1 9 1 "RMS(OBS, PRED)" CA 37 1.376 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.860 1
52 1 9 1 "RMS(OBS, PRED)" H 29 0.521 1
53 1 9 1 "RMS(OBS, PRED)" HA 42 0.278 1
54 1 9 1 "RMS(OBS, PRED)" N 29 4.708 1
55 1 10 1 "RMS(OBS, PRED)" C 34 1.028 1
56 1 10 1 "RMS(OBS, PRED)" CA 37 1.467 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.641 1
58 1 10 1 "RMS(OBS, PRED)" H 29 0.523 1
59 1 10 1 "RMS(OBS, PRED)" HA 42 0.281 1
60 1 10 1 "RMS(OBS, PRED)" N 29 4.938 1
61 1 11 1 "RMS(OBS, PRED)" C 34 1.244 1
62 1 11 1 "RMS(OBS, PRED)" CA 37 1.713 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.730 1
64 1 11 1 "RMS(OBS, PRED)" H 29 0.477 1
65 1 11 1 "RMS(OBS, PRED)" HA 42 0.337 1
66 1 11 1 "RMS(OBS, PRED)" N 29 4.832 1
67 1 12 1 "RMS(OBS, PRED)" C 34 1.272 1
68 1 12 1 "RMS(OBS, PRED)" CA 37 1.158 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.759 1
70 1 12 1 "RMS(OBS, PRED)" H 29 0.500 1
71 1 12 1 "RMS(OBS, PRED)" HA 42 0.354 1
72 1 12 1 "RMS(OBS, PRED)" N 29 4.793 1
73 1 13 1 "RMS(OBS, PRED)" C 34 1.215 1
74 1 13 1 "RMS(OBS, PRED)" CA 37 1.690 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.604 1
76 1 13 1 "RMS(OBS, PRED)" H 29 0.498 1
77 1 13 1 "RMS(OBS, PRED)" HA 42 0.308 1
78 1 13 1 "RMS(OBS, PRED)" N 29 4.698 1
79 1 14 1 "RMS(OBS, PRED)" C 34 1.237 1
80 1 14 1 "RMS(OBS, PRED)" CA 37 1.041 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.631 1
82 1 14 1 "RMS(OBS, PRED)" H 29 0.466 1
83 1 14 1 "RMS(OBS, PRED)" HA 42 0.307 1
84 1 14 1 "RMS(OBS, PRED)" N 29 4.910 1
85 1 15 1 "RMS(OBS, PRED)" C 34 0.937 1
86 1 15 1 "RMS(OBS, PRED)" CA 37 1.278 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.707 1
88 1 15 1 "RMS(OBS, PRED)" H 29 0.512 1
89 1 15 1 "RMS(OBS, PRED)" HA 42 0.301 1
90 1 15 1 "RMS(OBS, PRED)" N 29 4.542 1
91 1 16 1 "RMS(OBS, PRED)" C 34 1.224 1
92 1 16 1 "RMS(OBS, PRED)" CA 37 1.818 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.605 1
94 1 16 1 "RMS(OBS, PRED)" H 29 0.558 1
95 1 16 1 "RMS(OBS, PRED)" HA 42 0.318 1
96 1 16 1 "RMS(OBS, PRED)" N 29 4.608 1
97 1 17 1 "RMS(OBS, PRED)" C 34 0.950 1
98 1 17 1 "RMS(OBS, PRED)" CA 37 1.172 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.725 1
100 1 17 1 "RMS(OBS, PRED)" H 29 0.521 1
101 1 17 1 "RMS(OBS, PRED)" HA 42 0.289 1
102 1 17 1 "RMS(OBS, PRED)" N 29 4.650 1
103 1 18 1 "RMS(OBS, PRED)" C 34 1.015 1
104 1 18 1 "RMS(OBS, PRED)" CA 37 1.270 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.608 1
106 1 18 1 "RMS(OBS, PRED)" H 29 0.482 1
107 1 18 1 "RMS(OBS, PRED)" HA 42 0.288 1
108 1 18 1 "RMS(OBS, PRED)" N 29 4.583 1
109 1 19 1 "RMS(OBS, PRED)" C 34 1.329 1
110 1 19 1 "RMS(OBS, PRED)" CA 37 1.420 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.987 1
112 1 19 1 "RMS(OBS, PRED)" H 29 0.572 1
113 1 19 1 "RMS(OBS, PRED)" HA 42 0.295 1
114 1 19 1 "RMS(OBS, PRED)" N 29 4.706 1
115 1 20 1 "RMS(OBS, PRED)" C 34 1.239 1
116 1 20 1 "RMS(OBS, PRED)" CA 37 1.146 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.753 1
118 1 20 1 "RMS(OBS, PRED)" H 29 0.503 1
119 1 20 1 "RMS(OBS, PRED)" HA 42 0.337 1
120 1 20 1 "RMS(OBS, PRED)" N 29 4.682 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 8 8 THR N N 8 112.857 115.488 -2.631 2
1 2 . 1 1 A 8 8 THR H H 8 8.147 8.265 -0.118 2
1 3 . 1 1 A 8 8 THR CA C 8 61.875 61.824 0.051 2
1 4 . 1 1 A 8 8 THR HA H 8 4.345 4.601 -0.256 2
1 5 . 1 1 A 8 8 THR CB C 8 70.012 69.948 0.064 2
1 11 . 1 1 A 8 8 THR C C 8 175.287 174.580 0.707 2
1 12 . 1 1 A 9 9 GLY N N 9 110.887 111.132 -0.245 2
1 13 . 1 1 A 9 9 GLY H H 9 8.241 8.337 -0.096 2
1 14 . 1 1 A 9 9 GLY CA C 9 45.373 45.428 -0.055 2
1 15 . 1 1 A 9 9 GLY HA2 H 9 4.009 4.030 -0.021 2
1 16 . 1 1 A 9 9 GLY HA3 H 9 3.917 4.033 -0.116 2
1 17 . 1 1 A 9 9 GLY C C 9 174.121 173.269 0.852 2
1 18 . 1 1 A 10 10 GLU N N 10 120.584 120.845 -0.261 2
1 19 . 1 1 A 10 10 GLU H H 10 8.075 8.516 -0.441 2
1 20 . 1 1 A 10 10 GLU CA C 10 56.436 55.404 1.032 2
1 21 . 1 1 A 10 10 GLU HA H 10 4.224 4.764 -0.540 2
1 22 . 1 1 A 10 10 GLU CB C 10 30.465 31.740 -1.275 2
1 28 . 1 1 A 10 10 GLU C C 10 176.282 175.431 0.851 2
1 29 . 1 1 A 11 11 LYS N N 11 123.004 122.742 0.262 2
1 30 . 1 1 A 11 11 LYS H H 11 8.295 8.558 -0.263 2
1 31 . 1 1 A 11 11 LYS CA C 11 53.874 53.725 0.149 2
1 32 . 1 1 A 11 11 LYS HA H 11 4.515 4.715 -0.200 2
1 33 . 1 1 A 11 11 LYS CB C 11 32.609 32.946 -0.337 2
1 45 . 1 1 A 11 11 LYS C C 11 174.534 176.365 -1.831 2
1 46 . 1 1 A 12 12 PRO CA C 12 62.928 64.203 -1.275 2
1 47 . 1 1 A 12 12 PRO HA H 12 4.296 4.455 -0.159 2
1 48 . 1 1 A 12 12 PRO CB C 12 32.274 31.524 0.750 2
1 57 . 1 1 A 12 12 PRO C C 12 176.489 175.883 0.606 2
1 58 . 1 1 A 13 13 TYR N N 13 119.870 118.152 1.718 2
1 59 . 1 1 A 13 13 TYR H H 13 8.106 7.936 0.170 2
1 60 . 1 1 A 13 13 TYR CA C 13 57.209 56.871 0.338 2
1 61 . 1 1 A 13 13 TYR HA H 13 4.588 4.980 -0.392 2
1 62 . 1 1 A 13 13 TYR CB C 13 38.107 38.391 -0.284 2
1 73 . 1 1 A 13 13 TYR C C 13 174.089 174.790 -0.701 2
1 74 . 1 1 A 14 14 LYS N N 14 124.673 123.442 1.231 2
1 75 . 1 1 A 14 14 LYS H H 14 8.358 8.239 0.119 2
1 76 . 1 1 A 14 14 LYS CA C 14 54.730 55.055 -0.325 2
1 77 . 1 1 A 14 14 LYS HA H 14 5.077 5.242 -0.165 2
1 78 . 1 1 A 14 14 LYS CB C 14 36.068 35.210 0.858 2
1 90 . 1 1 A 14 14 LYS C C 14 175.181 175.820 -0.639 2
1 91 . 1 1 A 15 15 CYS N N 15 127.857 125.166 2.691 2
1 92 . 1 1 A 15 15 CYS H H 15 9.307 9.199 0.108 2
1 93 . 1 1 A 15 15 CYS CA C 15 59.474 59.756 -0.282 2
1 94 . 1 1 A 15 15 CYS HA H 15 4.524 4.650 -0.126 2
1 95 . 1 1 A 15 15 CYS CB C 15 29.634 28.780 0.854 2
1 98 . 1 1 A 15 15 CYS C C 15 176.857 175.220 1.637 2
1 99 . 1 1 A 16 16 ASN CA C 16 55.608 54.234 1.374 2
1 100 . 1 1 A 16 16 ASN HA H 16 4.497 4.781 -0.284 2
1 101 . 1 1 A 16 16 ASN CB C 16 38.265 39.224 -0.959 2
1 107 . 1 1 A 16 16 ASN C C 16 175.434 177.005 -1.571 2
1 108 . 1 1 A 17 17 GLU N N 17 120.770 119.399 1.371 2
1 109 . 1 1 A 17 17 GLU H H 17 8.702 7.806 0.895 2
1 110 . 1 1 A 17 17 GLU CA C 17 58.818 58.570 0.248 2
1 111 . 1 1 A 17 17 GLU HA H 17 4.184 3.997 0.187 2
1 112 . 1 1 A 17 17 GLU CB C 17 29.358 28.932 0.426 2
1 118 . 1 1 A 17 17 GLU C C 17 177.178 178.014 -0.836 2
1 119 . 1 1 A 18 18 CYS N N 18 127.684 114.951 12.733 2
1 120 . 1 1 A 18 18 CYS H H 18 7.913 7.584 0.329 2
1 121 . 1 1 A 18 18 CYS CA C 18 58.271 59.653 -1.382 2
1 122 . 1 1 A 18 18 CYS HA H 18 5.140 4.619 0.521 2
1 123 . 1 1 A 18 18 CYS CB C 18 32.384 29.839 2.545 2
1 126 . 1 1 A 18 18 CYS C C 18 176.250 175.390 0.860 2
1 127 . 1 1 A 19 19 GLY N N 19 113.588 110.244 3.344 2
1 128 . 1 1 A 19 19 GLY H H 19 8.163 8.090 0.073 2
1 129 . 1 1 A 19 19 GLY CA C 19 46.206 45.188 1.018 2
1 130 . 1 1 A 19 19 GLY HA2 H 19 4.213 4.064 0.149 2
1 131 . 1 1 A 19 19 GLY HA3 H 19 3.710 4.079 -0.369 2
1 132 . 1 1 A 19 19 GLY C C 19 173.538 174.522 -0.984 2
1 133 . 1 1 A 20 20 LYS N N 20 122.672 121.619 1.053 2
1 134 . 1 1 A 20 20 LYS H H 20 7.898 7.719 0.179 2
1 135 . 1 1 A 20 20 LYS CA C 20 58.243 55.753 2.490 2
1 136 . 1 1 A 20 20 LYS HA H 20 3.956 4.344 -0.388 2
1 137 . 1 1 A 20 20 LYS CB C 20 33.796 33.747 0.049 2
1 149 . 1 1 A 20 20 LYS C C 20 174.305 175.343 -1.038 2
1 150 . 1 1 A 21 21 VAL N N 21 117.669 123.276 -5.607 2
1 151 . 1 1 A 21 21 VAL H H 21 7.616 7.942 -0.326 2
1 152 . 1 1 A 21 21 VAL CA C 21 60.531 60.403 0.128 2
1 153 . 1 1 A 21 21 VAL HA H 21 4.729 4.952 -0.223 2
1 154 . 1 1 A 21 21 VAL CB C 21 33.937 35.447 -1.511 2
1 164 . 1 1 A 21 21 VAL C C 21 175.221 174.188 1.033 2
1 165 . 1 1 A 22 22 PHE N N 22 121.686 124.026 -2.340 2
1 166 . 1 1 A 22 22 PHE H H 22 8.732 8.893 -0.161 2
1 167 . 1 1 A 22 22 PHE CA C 22 56.827 56.362 0.465 2
1 168 . 1 1 A 22 22 PHE HA H 22 4.874 5.033 -0.159 2
1 169 . 1 1 A 22 22 PHE CB C 22 43.461 43.883 -0.422 2
1 182 . 1 1 A 22 22 PHE C C 22 175.698 175.357 0.341 2
1 183 . 1 1 A 23 23 THR N N 23 111.308 115.141 -3.833 2
1 184 . 1 1 A 23 23 THR H H 23 9.483 8.751 0.732 2
1 185 . 1 1 A 23 23 THR CA C 23 63.243 62.885 0.358 2
1 186 . 1 1 A 23 23 THR HA H 23 4.536 4.444 0.092 2
1 187 . 1 1 A 23 23 THR CB C 23 69.668 70.011 -0.343 2
1 193 . 1 1 A 23 23 THR C C 23 174.904 173.907 0.997 2
1 194 . 1 1 A 24 24 GLN N N 24 128.363 119.637 8.726 2
1 195 . 1 1 A 24 24 GLN H H 24 7.069 7.603 -0.534 2
1 196 . 1 1 A 24 24 GLN CA C 24 54.007 53.940 0.067 2
1 197 . 1 1 A 24 24 GLN HA H 24 4.503 4.211 0.292 2
1 198 . 1 1 A 24 24 GLN CB C 24 31.943 30.763 1.180 2
1 207 . 1 1 A 24 24 GLN C C 24 175.897 175.725 0.172 2
1 208 . 1 1 A 25 25 ASN CA C 25 56.162 56.583 -0.421 2
1 209 . 1 1 A 25 25 ASN HA H 25 3.578 4.369 -0.791 2
1 210 . 1 1 A 25 25 ASN CB C 25 38.265 38.309 -0.043 2
1 216 . 1 1 A 26 26 SER CA C 26 60.828 61.959 -1.131 2
1 217 . 1 1 A 26 26 SER HA H 26 4.010 4.086 -0.076 2
1 218 . 1 1 A 26 26 SER CB C 26 61.674 62.853 -1.179 2
1 221 . 1 1 A 26 26 SER C C 26 177.106 176.844 0.262 2
1 222 . 1 1 A 27 27 HIS N N 27 121.567 119.082 2.485 2
1 223 . 1 1 A 27 27 HIS H H 27 6.745 7.856 -1.111 2
1 224 . 1 1 A 27 27 HIS CA C 27 57.025 58.841 -1.816 2
1 225 . 1 1 A 27 27 HIS HA H 27 4.387 4.287 0.100 2
1 226 . 1 1 A 27 27 HIS CB C 27 31.749 29.680 2.069 2
1 233 . 1 1 A 27 27 HIS C C 27 178.165 177.293 0.872 2
1 234 . 1 1 A 28 28 LEU N N 28 122.201 120.693 1.508 2
1 235 . 1 1 A 28 28 LEU H H 28 6.890 7.858 -0.968 2
1 236 . 1 1 A 28 28 LEU CA C 28 57.568 57.408 0.160 2
1 237 . 1 1 A 28 28 LEU HA H 28 3.133 2.782 0.351 2
1 238 . 1 1 A 28 28 LEU CB C 28 40.421 41.845 -1.424 2
1 251 . 1 1 A 28 28 LEU C C 28 177.398 177.943 -0.545 2
1 252 . 1 1 A 29 29 ALA N N 29 120.974 120.435 0.539 2
1 253 . 1 1 A 29 29 ALA H H 29 8.291 8.644 -0.353 2
1 254 . 1 1 A 29 29 ALA CA C 29 55.296 55.528 -0.232 2
1 255 . 1 1 A 29 29 ALA HA H 29 3.906 4.008 -0.102 2
1 256 . 1 1 A 29 29 ALA CB C 29 17.744 18.431 -0.687 2
1 260 . 1 1 A 29 29 ALA C C 29 180.489 179.638 0.851 2
1 261 . 1 1 A 30 30 ARG N N 30 116.427 117.016 -0.589 2
1 262 . 1 1 A 30 30 ARG H H 30 7.431 8.170 -0.739 2
1 263 . 1 1 A 30 30 ARG CA C 30 58.472 58.732 -0.260 2
1 264 . 1 1 A 30 30 ARG HA H 30 4.022 4.066 -0.044 2
1 265 . 1 1 A 30 30 ARG CB C 30 30.232 30.088 0.144 2
1 274 . 1 1 A 30 30 ARG C C 30 178.403 178.352 0.051 2
1 275 . 1 1 A 31 31 HIS N N 31 119.659 120.261 -0.602 2
1 276 . 1 1 A 31 31 HIS H H 31 7.576 7.986 -0.410 2
1 277 . 1 1 A 31 31 HIS CA C 31 58.796 59.845 -1.049 2
1 278 . 1 1 A 31 31 HIS HA H 31 4.203 4.199 0.004 2
1 279 . 1 1 A 31 31 HIS CB C 31 28.745 29.621 -0.876 2
1 286 . 1 1 A 31 31 HIS C C 31 175.860 177.024 -1.164 2
1 287 . 1 1 A 32 32 ARG N N 32 128.186 117.560 10.626 2
1 288 . 1 1 A 32 32 ARG H H 32 8.021 8.232 -0.211 2
1 289 . 1 1 A 32 32 ARG CA C 32 59.996 58.935 1.061 2
1 290 . 1 1 A 32 32 ARG HA H 32 3.735 3.918 -0.183 2
1 291 . 1 1 A 32 32 ARG CB C 32 30.005 29.892 0.113 2
1 300 . 1 1 A 32 32 ARG C C 32 178.010 179.715 -1.705 2
1 301 . 1 1 A 33 33 GLY N N 33 118.610 108.208 10.402 2
1 302 . 1 1 A 33 33 GLY H H 33 7.577 8.025 -0.448 2
1 303 . 1 1 A 33 33 GLY CA C 33 46.501 47.118 -0.617 2
1 304 . 1 1 A 33 33 GLY HA2 H 33 3.856 3.637 0.219 2
1 305 . 1 1 A 33 33 GLY HA3 H 33 3.976 3.654 0.322 2
1 306 . 1 1 A 33 33 GLY C C 33 175.874 176.012 -0.137 2
1 307 . 1 1 A 34 34 ILE N N 34 118.491 119.552 -1.061 2
1 308 . 1 1 A 34 34 ILE H H 34 7.804 8.026 -0.222 2
1 309 . 1 1 A 34 34 ILE CA C 34 62.728 64.182 -1.454 2
1 310 . 1 1 A 34 34 ILE HA H 34 4.012 3.730 0.282 2
1 311 . 1 1 A 34 34 ILE CB C 34 37.640 37.143 0.497 2
1 324 . 1 1 A 34 34 ILE C C 34 177.422 177.456 -0.034 2
1 325 . 1 1 A 35 35 HIS N N 35 117.828 119.632 -1.804 2
1 326 . 1 1 A 35 35 HIS H H 35 7.323 7.312 0.011 2
1 327 . 1 1 A 35 35 HIS CA C 35 55.311 58.360 -3.049 2
1 328 . 1 1 A 35 35 HIS HA H 35 4.861 4.452 0.409 2
1 329 . 1 1 A 35 35 HIS CB C 35 28.630 31.136 -2.506 2
1 336 . 1 1 A 35 35 HIS C C 35 175.768 175.785 -0.017 2
1 337 . 1 1 A 36 36 THR N N 36 112.063 109.556 2.507 2
1 338 . 1 1 A 36 36 THR H H 36 7.784 7.629 0.155 2
1 339 . 1 1 A 36 36 THR CA C 36 62.436 61.327 1.109 2
1 340 . 1 1 A 36 36 THR HA H 36 4.330 4.404 -0.074 2
1 341 . 1 1 A 36 36 THR CB C 36 69.703 69.285 0.418 2
1 347 . 1 1 A 36 36 THR C C 36 175.321 174.236 1.085 2
1 348 . 1 1 A 37 37 GLY N N 37 111.105 111.597 -0.492 2
1 349 . 1 1 A 37 37 GLY H H 37 8.435 8.254 0.181 2
1 350 . 1 1 A 37 37 GLY CA C 37 45.313 45.612 -0.299 2
1 351 . 1 1 A 37 37 GLY HA2 H 37 3.969 4.094 -0.125 2
1 352 . 1 1 A 37 37 GLY HA3 H 37 3.969 4.100 -0.131 2
1 353 . 1 1 A 37 37 GLY C C 37 174.049 173.378 0.671 2
1 354 . 1 1 A 38 38 GLU N N 38 120.555 121.422 -0.867 2
1 355 . 1 1 A 38 38 GLU H H 38 8.211 8.247 -0.036 2
1 356 . 1 1 A 38 38 GLU CA C 38 56.448 56.049 0.399 2
1 357 . 1 1 A 38 38 GLU HA H 38 4.222 4.460 -0.238 2
1 358 . 1 1 A 38 38 GLU CB C 38 36.225 30.402 5.823 2
1 364 . 1 1 A 38 38 GLU C C 38 176.258 176.027 0.231 2
1 365 . 1 1 A 39 39 LYS N N 39 123.818 123.881 -0.063 2
1 366 . 1 1 A 39 39 LYS H H 39 8.392 8.374 0.018 2
1 367 . 1 1 A 39 39 LYS CA C 39 54.059 55.090 -1.031 2
1 368 . 1 1 A 39 39 LYS HA H 39 4.580 4.554 0.026 2
1 369 . 1 1 A 39 39 LYS CB C 39 32.451 33.198 -0.747 2
1 381 . 1 1 A 39 39 LYS C C 39 174.049 175.587 -1.538 2
1 382 . 1 1 A 40 40 PRO CA C 40 63.172 63.086 0.086 2
1 383 . 1 1 A 40 40 PRO HA H 40 4.444 4.547 -0.103 2
1 384 . 1 1 A 40 40 PRO CB C 40 32.143 32.451 -0.308 2
1 393 . 1 1 A 40 40 PRO C C 40 177.021 176.745 0.276 2
1 394 . 1 1 A 41 41 SER N N 41 116.548 116.024 0.524 2
1 395 . 1 1 A 41 41 SER H H 41 8.473 8.423 0.050 2
1 396 . 1 1 A 41 41 SER CA C 41 58.308 59.244 -0.936 2
1 397 . 1 1 A 41 41 SER HA H 41 4.455 4.543 -0.088 2
1 398 . 1 1 A 41 41 SER CB C 41 63.988 63.837 0.151 2
1 401 . 1 1 A 41 41 SER C C 41 177.006 174.381 2.625 2
1 402 . 1 1 A 42 42 GLY CA C 42 44.654 45.130 -0.476 2
1 403 . 1 1 A 42 42 GLY HA2 H 42 4.086 4.137 -0.051 2
1 404 . 1 1 A 42 42 GLY HA3 H 42 4.125 4.138 -0.013 2
1 405 . 1 1 A 43 43 PRO CA C 43 63.217 63.120 0.097 2
1 406 . 1 1 A 43 43 PRO HA H 43 4.445 4.570 -0.125 2
1 407 . 1 1 A 43 43 PRO CB C 43 32.196 31.636 0.560 2
1 416 . 1 1 A 45 45 SER CA C 45 58.418 59.012 -0.594 2
1 417 . 1 1 A 45 45 SER HA H 45 4.478 4.528 -0.050 2
1 418 . 1 1 A 45 45 SER CB C 45 63.838 64.186 -0.348 2
1 420 . 1 1 A 45 45 SER C C 45 173.908 174.391 -0.483 2
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