data_10181_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10181
_Entry.PDB_ID 2EM9
_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 6 6 SER CA C 6 58.575 57.631 0.944 1
1 2 . 1 1 1 A 6 6 SER HA H 6 4.453 4.946 -0.493 1
1 3 . 1 1 1 A 6 6 SER CB C 6 63.817 63.963 -0.146 1
1 5 . 1 1 1 A 6 6 SER C C 6 175.107 174.949 0.158 1
1 7 . 1 1 1 A 7 7 GLY N N 7 110.865 114.846 -3.981 1
1 8 . 1 1 1 A 7 7 GLY H H 7 8.455 8.681 -0.226 1
1 9 . 1 1 1 A 7 7 GLY CA C 7 45.447 45.206 0.241 1
1 10 . 1 1 1 A 7 7 GLY HA3 H 7 4.006 4.060 -0.054 1
1 11 . 1 1 1 A 7 7 GLY C C 7 174.454 174.439 0.015 1
1 12 . 1 1 1 A 7 7 GLY HA2 H 7 4.006 4.060 -0.054 1
1 13 . 1 1 1 A 8 8 THR N N 8 112.847 116.311 -3.464 1
1 14 . 1 1 1 A 8 8 THR H H 8 8.139 7.947 0.192 1
1 15 . 1 1 1 A 8 8 THR CA C 8 61.905 61.586 0.319 1
1 16 . 1 1 1 A 8 8 THR HA H 8 4.353 4.248 0.105 1
1 17 . 1 1 1 A 8 8 THR CB C 8 69.843 67.194 2.649 1
1 23 . 1 1 1 A 8 8 THR C C 8 175.228 173.977 1.251 1
1 24 . 1 1 1 A 9 9 GLY N N 9 110.821 113.449 -2.628 1
1 25 . 1 1 1 A 9 9 GLY H H 9 8.421 8.453 -0.032 1
1 26 . 1 1 1 A 9 9 GLY CA C 9 45.254 44.710 0.544 1
1 27 . 1 1 1 A 9 9 GLY HA3 H 9 3.949 4.213 -0.264 1
1 28 . 1 1 1 A 9 9 GLY C C 9 174.011 172.285 1.726 1
1 29 . 1 1 1 A 9 9 GLY HA2 H 9 3.892 4.213 -0.321 1
1 30 . 1 1 1 A 10 10 GLU N N 10 120.237 121.816 -1.579 1
1 31 . 1 1 1 A 10 10 GLU H H 10 8.182 9.311 -1.129 1
1 32 . 1 1 1 A 10 10 GLU CA C 10 56.937 54.670 2.267 1
1 33 . 1 1 1 A 10 10 GLU HA H 10 4.144 5.074 -0.930 1
1 34 . 1 1 1 A 10 10 GLU CB C 10 30.378 33.495 -3.117 1
1 38 . 1 1 1 A 10 10 GLU C C 10 176.184 175.154 1.030 1
1 41 . 1 1 1 A 11 11 LYS N N 11 121.342 123.125 -1.783 1
1 42 . 1 1 1 A 11 11 LYS H H 11 8.229 8.491 -0.262 1
1 43 . 1 1 1 A 11 11 LYS CA C 11 53.834 54.914 -1.080 1
1 44 . 1 1 1 A 11 11 LYS HA H 11 4.484 4.298 0.186 1
1 45 . 1 1 1 A 11 11 LYS CB C 11 32.967 31.830 1.137 1
1 57 . 1 1 1 A 12 12 PRO CA C 12 63.387 65.015 -1.628 1
1 58 . 1 1 1 A 12 12 PRO HA H 12 4.316 4.283 0.033 1
1 59 . 1 1 1 A 12 12 PRO CB C 12 32.242 31.721 0.521 1
1 65 . 1 1 1 A 12 12 PRO C C 12 176.139 175.864 0.275 1
1 69 . 1 1 1 A 13 13 TYR N N 13 118.364 118.191 0.173 1
1 70 . 1 1 1 A 13 13 TYR H H 13 7.941 7.223 0.718 1
1 71 . 1 1 1 A 13 13 TYR CA C 13 57.734 57.922 -0.188 1
1 72 . 1 1 1 A 13 13 TYR HA H 13 4.583 4.868 -0.285 1
1 73 . 1 1 1 A 13 13 TYR CB C 13 38.810 39.947 -1.137 1
1 83 . 1 1 1 A 13 13 TYR C C 13 174.591 175.413 -0.822 1
1 85 . 1 1 1 A 14 14 ASN N N 14 121.715 118.244 3.471 1
1 86 . 1 1 1 A 14 14 ASN H H 14 8.714 9.245 -0.531 1
1 87 . 1 1 1 A 14 14 ASN CA C 14 52.503 51.593 0.910 1
1 88 . 1 1 1 A 14 14 ASN HA H 14 5.345 5.896 -0.551 1
1 89 . 1 1 1 A 14 14 ASN CB C 14 41.570 41.650 -0.080 1
1 94 . 1 1 1 A 14 14 ASN C C 14 173.463 173.712 -0.249 1
1 96 . 1 1 1 A 15 15 CYS N N 15 124.857 124.329 0.528 1
1 97 . 1 1 1 A 15 15 CYS H H 15 9.202 9.075 0.127 1
1 98 . 1 1 1 A 15 15 CYS CA C 15 59.089 59.852 -0.763 1
1 99 . 1 1 1 A 15 15 CYS HA H 15 4.627 4.544 0.083 1
1 100 . 1 1 1 A 15 15 CYS CB C 15 29.702 28.302 1.400 1
1 102 . 1 1 1 A 15 15 CYS C C 15 177.005 174.930 2.075 1
1 104 . 1 1 1 A 16 16 LYS N N 16 131.671 126.637 5.034 1
1 105 . 1 1 1 A 16 16 LYS H H 16 9.303 8.955 0.348 1
1 106 . 1 1 1 A 16 16 LYS CA C 16 58.569 57.903 0.666 1
1 107 . 1 1 1 A 16 16 LYS HA H 16 4.162 4.393 -0.231 1
1 108 . 1 1 1 A 16 16 LYS CB C 16 32.192 33.286 -1.094 1
1 116 . 1 1 1 A 16 16 LYS C C 16 177.048 178.782 -1.734 1
1 121 . 1 1 1 A 17 17 GLU N N 17 119.887 118.872 1.015 1
1 122 . 1 1 1 A 17 17 GLU H H 17 8.581 7.611 0.970 1
1 123 . 1 1 1 A 17 17 GLU CA C 17 58.433 59.146 -0.713 1
1 124 . 1 1 1 A 17 17 GLU HA H 17 4.186 3.907 0.279 1
1 125 . 1 1 1 A 17 17 GLU CB C 17 29.328 28.285 1.043 1
1 129 . 1 1 1 A 17 17 GLU C C 17 177.219 177.966 -0.747 1
1 132 . 1 1 1 A 18 18 CYS N N 18 114.441 114.810 -0.369 1
1 133 . 1 1 1 A 18 18 CYS H H 18 7.918 7.863 0.055 1
1 134 . 1 1 1 A 18 18 CYS CA C 18 58.398 59.626 -1.228 1
1 135 . 1 1 1 A 18 18 CYS HA H 18 5.178 4.621 0.557 1
1 136 . 1 1 1 A 18 18 CYS CB C 18 32.515 29.756 2.759 1
1 138 . 1 1 1 A 18 18 CYS C C 18 176.163 175.427 0.736 1
1 140 . 1 1 1 A 19 19 GLY N N 19 113.399 110.230 3.169 1
1 141 . 1 1 1 A 19 19 GLY H H 19 8.276 8.177 0.099 1
1 142 . 1 1 1 A 19 19 GLY CA C 19 46.239 45.532 0.707 1
1 143 . 1 1 1 A 19 19 GLY HA3 H 19 4.238 4.060 0.178 1
1 144 . 1 1 1 A 19 19 GLY C C 19 174.108 174.307 -0.199 1
1 145 . 1 1 1 A 19 19 GLY HA2 H 19 3.895 4.046 -0.151 1
1 146 . 1 1 1 A 20 20 LYS N N 20 122.801 119.433 3.368 1
1 147 . 1 1 1 A 20 20 LYS H H 20 7.927 7.936 -0.009 1
1 148 . 1 1 1 A 20 20 LYS CA C 20 58.073 54.797 3.276 1
1 149 . 1 1 1 A 20 20 LYS HA H 20 4.028 4.659 -0.631 1
1 150 . 1 1 1 A 20 20 LYS CB C 20 33.995 34.276 -0.281 1
1 158 . 1 1 1 A 20 20 LYS C C 20 174.252 175.291 -1.039 1
1 163 . 1 1 1 A 21 21 SER N N 21 115.354 112.438 2.916 1
1 164 . 1 1 1 A 21 21 SER H H 21 7.753 8.528 -0.775 1
1 165 . 1 1 1 A 21 21 SER CA C 21 56.907 55.763 1.144 1
1 166 . 1 1 1 A 21 21 SER HA H 21 5.264 5.570 -0.306 1
1 167 . 1 1 1 A 21 21 SER CB C 21 65.905 66.684 -0.779 1
1 169 . 1 1 1 A 21 21 SER C C 21 173.109 172.978 0.131 1
1 171 . 1 1 1 A 22 22 PHE N N 22 118.558 117.888 0.670 1
1 172 . 1 1 1 A 22 22 PHE H H 22 8.756 8.695 0.061 1
1 173 . 1 1 1 A 22 22 PHE CA C 22 57.139 56.625 0.514 1
1 174 . 1 1 1 A 22 22 PHE HA H 22 4.743 4.826 -0.083 1
1 175 . 1 1 1 A 22 22 PHE CB C 22 43.854 43.315 0.539 1
1 187 . 1 1 1 A 22 22 PHE C C 22 174.812 175.609 -0.797 1
1 189 . 1 1 1 A 23 23 ARG N N 23 121.492 121.960 -0.468 1
1 190 . 1 1 1 A 23 23 ARG H H 23 9.062 8.832 0.230 1
1 191 . 1 1 1 A 23 23 ARG CA C 23 58.297 58.272 0.025 1
1 192 . 1 1 1 A 23 23 ARG HA H 23 4.148 4.325 -0.177 1
1 193 . 1 1 1 A 23 23 ARG CB C 23 30.777 30.683 0.094 1
1 199 . 1 1 1 A 23 23 ARG C C 23 175.059 176.443 -1.384 1
1 203 . 1 1 1 A 24 24 TRP N N 24 135.582 118.173 17.409 1
1 204 . 1 1 1 A 24 24 TRP H H 24 7.265 8.018 -0.753 1
1 205 . 1 1 1 A 24 24 TRP CA C 24 55.009 57.002 -1.993 1
1 206 . 1 1 1 A 24 24 TRP HA H 24 5.251 4.955 0.296 1
1 207 . 1 1 1 A 24 24 TRP CB C 24 32.664 31.910 0.754 1
1 221 . 1 1 1 A 24 24 TRP C C 24 176.478 176.174 0.304 1
1 223 . 1 1 1 A 25 25 ALA N N 25 127.796 125.556 2.240 1
1 224 . 1 1 1 A 25 25 ALA H H 25 8.590 8.862 -0.272 1
1 225 . 1 1 1 A 25 25 ALA CA C 25 55.039 55.132 -0.093 1
1 226 . 1 1 1 A 25 25 ALA HA H 25 3.100 3.293 -0.193 1
1 227 . 1 1 1 A 25 25 ALA CB C 25 17.676 18.539 -0.863 1
1 231 . 1 1 1 A 26 26 SER CA C 26 61.568 61.300 0.268 1
1 232 . 1 1 1 A 26 26 SER HA H 26 3.889 4.111 -0.222 1
1 233 . 1 1 1 A 26 26 SER CB C 26 60.859 62.519 -1.660 1
1 235 . 1 1 1 A 26 26 SER C C 26 177.407 176.895 0.512 1
1 237 . 1 1 1 A 27 27 CYS N N 27 122.821 119.601 3.220 1
1 238 . 1 1 1 A 27 27 CYS H H 27 7.093 8.269 -1.176 1
1 239 . 1 1 1 A 27 27 CYS CA C 27 62.747 63.832 -1.085 1
1 240 . 1 1 1 A 27 27 CYS HA H 27 4.000 4.140 -0.140 1
1 241 . 1 1 1 A 27 27 CYS CB C 27 28.498 27.647 0.851 1
1 242 . 1 1 1 A 27 27 CYS C C 27 178.084 176.577 1.507 1
1 244 . 1 1 1 A 28 28 LEU N N 28 121.440 121.111 0.329 1
1 245 . 1 1 1 A 28 28 LEU H H 28 6.965 7.796 -0.831 1
1 246 . 1 1 1 A 28 28 LEU CA C 28 57.672 56.848 0.824 1
1 247 . 1 1 1 A 28 28 LEU HA H 28 3.210 2.753 0.457 1
1 248 . 1 1 1 A 28 28 LEU CB C 28 40.463 41.443 -0.980 1
1 260 . 1 1 1 A 28 28 LEU C C 28 177.411 177.817 -0.406 1
1 262 . 1 1 1 A 29 29 LEU N N 29 119.582 119.566 0.016 1
1 263 . 1 1 1 A 29 29 LEU H H 29 7.918 7.980 -0.062 1
1 264 . 1 1 1 A 29 29 LEU CA C 29 58.172 58.021 0.151 1
1 265 . 1 1 1 A 29 29 LEU HA H 29 4.085 3.897 0.188 1
1 266 . 1 1 1 A 29 29 LEU CB C 29 41.634 41.791 -0.157 1
1 278 . 1 1 1 A 29 29 LEU C C 29 179.868 178.424 1.444 1
1 280 . 1 1 1 A 30 30 LYS N N 30 117.949 119.440 -1.491 1
1 281 . 1 1 1 A 30 30 LYS H H 30 7.494 8.038 -0.544 1
1 282 . 1 1 1 A 30 30 LYS CA C 30 59.428 58.897 0.531 1
1 283 . 1 1 1 A 30 30 LYS HA H 30 3.947 3.879 0.068 1
1 284 . 1 1 1 A 30 30 LYS CB C 30 32.538 32.080 0.458 1
1 292 . 1 1 1 A 30 30 LYS C C 30 179.147 178.818 0.329 1
1 297 . 1 1 1 A 31 31 HIS N N 31 118.910 120.031 -1.121 1
1 298 . 1 1 1 A 31 31 HIS H H 31 7.688 8.191 -0.503 1
1 299 . 1 1 1 A 31 31 HIS CA C 31 58.850 59.819 -0.969 1
1 300 . 1 1 1 A 31 31 HIS HA H 31 4.237 4.118 0.119 1
1 301 . 1 1 1 A 31 31 HIS CB C 31 28.584 29.767 -1.183 1
1 307 . 1 1 1 A 31 31 HIS C C 31 176.001 177.421 -1.420 1
1 309 . 1 1 1 A 32 32 GLN N N 32 115.428 118.189 -2.761 1
1 310 . 1 1 1 A 32 32 GLN H H 32 8.230 8.021 0.209 1
1 311 . 1 1 1 A 32 32 GLN CA C 32 59.190 58.253 0.937 1
1 312 . 1 1 1 A 32 32 GLN HA H 32 3.706 3.896 -0.190 1
1 313 . 1 1 1 A 32 32 GLN CB C 32 28.135 28.243 -0.108 1
1 320 . 1 1 1 A 32 32 GLN C C 32 177.623 178.234 -0.611 1
1 323 . 1 1 1 A 33 33 ARG N N 33 118.204 119.533 -1.329 1
1 324 . 1 1 1 A 33 33 ARG H H 33 7.197 7.715 -0.518 1
1 325 . 1 1 1 A 33 33 ARG CA C 33 58.506 58.614 -0.108 1
1 326 . 1 1 1 A 33 33 ARG HA H 33 4.134 4.016 0.118 1
1 327 . 1 1 1 A 33 33 ARG CB C 33 29.842 29.720 0.122 1
1 333 . 1 1 1 A 33 33 ARG C C 33 178.649 178.892 -0.243 1
1 337 . 1 1 1 A 34 34 VAL N N 34 116.486 116.412 0.074 1
1 338 . 1 1 1 A 34 34 VAL H H 34 7.902 7.466 0.436 1
1 339 . 1 1 1 A 34 34 VAL CA C 34 64.123 65.119 -0.996 1
1 340 . 1 1 1 A 34 34 VAL HA H 34 3.905 3.797 0.108 1
1 341 . 1 1 1 A 34 34 VAL CB C 34 31.069 30.913 0.156 1
1 351 . 1 1 1 A 34 34 VAL C C 34 177.281 176.429 0.852 1
1 352 . 1 1 1 A 35 35 HIS N N 35 117.033 120.238 -3.205 1
1 353 . 1 1 1 A 35 35 HIS H H 35 7.126 7.295 -0.169 1
1 354 . 1 1 1 A 35 35 HIS CA C 35 54.996 55.755 -0.759 1
1 355 . 1 1 1 A 35 35 HIS HA H 35 4.875 4.566 0.309 1
1 356 . 1 1 1 A 35 35 HIS CB C 35 28.704 29.109 -0.405 1
1 362 . 1 1 1 A 35 35 HIS C C 35 175.499 175.895 -0.396 1
1 364 . 1 1 1 A 36 36 SER N N 36 114.731 113.463 1.268 1
1 365 . 1 1 1 A 36 36 SER H H 36 7.792 7.450 0.342 1
1 366 . 1 1 1 A 36 36 SER CA C 36 59.098 59.542 -0.444 1
1 367 . 1 1 1 A 36 36 SER HA H 36 4.463 4.513 -0.050 1
1 368 . 1 1 1 A 36 36 SER CB C 36 64.002 65.488 -1.486 1
1 370 . 1 1 1 A 36 36 SER C C 36 175.139 174.087 1.052 1
1 372 . 1 1 1 A 37 37 GLY N N 37 110.777 106.055 4.722 1
1 373 . 1 1 1 A 37 37 GLY H H 37 8.316 7.462 0.854 1
1 374 . 1 1 1 A 37 37 GLY CA C 37 45.362 44.778 0.584 1
1 375 . 1 1 1 A 37 37 GLY HA3 H 37 4.002 4.179 -0.177 1
1 376 . 1 1 1 A 37 37 GLY C C 37 174.036 172.853 1.183 1
1 377 . 1 1 1 A 37 37 GLY HA2 H 37 4.002 4.172 -0.170 1
1 378 . 1 1 1 A 38 38 GLU N N 38 120.515 124.499 -3.984 1
1 379 . 1 1 1 A 38 38 GLU H H 38 8.100 8.691 -0.591 1
1 380 . 1 1 1 A 38 38 GLU CA C 38 56.424 56.870 -0.446 1
1 381 . 1 1 1 A 38 38 GLU HA H 38 4.269 4.349 -0.080 1
1 382 . 1 1 1 A 38 38 GLU CB C 38 30.494 30.532 -0.038 1
1 386 . 1 1 1 A 38 38 GLU C C 38 176.249 176.294 -0.045 1
1 389 . 1 1 1 A 39 39 LYS N N 39 123.799 122.125 1.674 1
1 390 . 1 1 1 A 39 39 LYS H H 39 8.409 8.381 0.028 1
1 391 . 1 1 1 A 39 39 LYS CA C 39 54.163 52.786 1.377 1
1 392 . 1 1 1 A 39 39 LYS HA H 39 4.622 4.753 -0.131 1
1 393 . 1 1 1 A 39 39 LYS CB C 39 32.492 33.901 -1.409 1
1 405 . 1 1 1 A 40 40 PRO CA C 40 63.257 62.481 0.776 1
1 406 . 1 1 1 A 40 40 PRO HA H 40 4.475 4.676 -0.201 1
1 407 . 1 1 1 A 40 40 PRO CB C 40 32.139 29.932 2.207 1
1 416 . 1 1 1 A 45 45 SER CA C 45 58.385 57.256 1.129 1
1 417 . 1 1 1 A 45 45 SER HA H 45 4.458 4.454 0.004 1
1 418 . 1 1 1 A 45 45 SER CB C 45 64.084 62.079 2.005 1
1 420 . 1 1 1 A 45 45 SER C C 45 173.896 174.208 -0.312 1
1 1 . 2 1 1 A 6 6 SER CA C 6 58.575 56.493 2.082 1
1 2 . 2 1 1 A 6 6 SER HA H 6 4.453 4.815 -0.362 1
1 3 . 2 1 1 A 6 6 SER CB C 6 63.817 64.475 -0.658 1
1 5 . 2 1 1 A 6 6 SER C C 6 175.107 174.086 1.021 1
1 7 . 2 1 1 A 7 7 GLY N N 7 110.865 115.130 -4.265 1
1 8 . 2 1 1 A 7 7 GLY H H 7 8.455 8.831 -0.376 1
1 9 . 2 1 1 A 7 7 GLY CA C 7 45.447 46.536 -1.089 1
1 10 . 2 1 1 A 7 7 GLY HA3 H 7 4.006 3.995 0.011 1
1 11 . 2 1 1 A 7 7 GLY C C 7 174.454 175.465 -1.011 1
1 12 . 2 1 1 A 7 7 GLY HA2 H 7 4.006 3.994 0.012 1
1 13 . 2 1 1 A 8 8 THR N N 8 112.847 114.405 -1.558 1
1 14 . 2 1 1 A 8 8 THR H H 8 8.139 8.130 0.009 1
1 15 . 2 1 1 A 8 8 THR CA C 8 61.905 64.298 -2.393 1
1 16 . 2 1 1 A 8 8 THR HA H 8 4.353 4.042 0.311 1
1 17 . 2 1 1 A 8 8 THR CB C 8 69.843 69.365 0.478 1
1 23 . 2 1 1 A 8 8 THR C C 8 175.228 175.527 -0.299 1
1 24 . 2 1 1 A 9 9 GLY N N 9 110.821 111.041 -0.220 1
1 25 . 2 1 1 A 9 9 GLY H H 9 8.421 8.072 0.349 1
1 26 . 2 1 1 A 9 9 GLY CA C 9 45.254 46.292 -1.038 1
1 27 . 2 1 1 A 9 9 GLY HA3 H 9 3.949 3.913 0.036 1
1 28 . 2 1 1 A 9 9 GLY C C 9 174.011 174.636 -0.625 1
1 29 . 2 1 1 A 9 9 GLY HA2 H 9 3.892 3.913 -0.021 1
1 30 . 2 1 1 A 10 10 GLU N N 10 120.237 121.225 -0.988 1
1 31 . 2 1 1 A 10 10 GLU H H 10 8.182 8.101 0.081 1
1 32 . 2 1 1 A 10 10 GLU CA C 10 56.937 56.560 0.377 1
1 33 . 2 1 1 A 10 10 GLU HA H 10 4.144 4.287 -0.143 1
1 34 . 2 1 1 A 10 10 GLU CB C 10 30.378 30.857 -0.479 1
1 38 . 2 1 1 A 10 10 GLU C C 10 176.184 175.900 0.284 1
1 41 . 2 1 1 A 11 11 LYS N N 11 121.342 125.906 -4.564 1
1 42 . 2 1 1 A 11 11 LYS H H 11 8.229 8.515 -0.286 1
1 43 . 2 1 1 A 11 11 LYS CA C 11 53.834 52.814 1.020 1
1 44 . 2 1 1 A 11 11 LYS HA H 11 4.484 4.737 -0.253 1
1 45 . 2 1 1 A 11 11 LYS CB C 11 32.967 33.834 -0.867 1
1 57 . 2 1 1 A 12 12 PRO CA C 12 63.387 64.762 -1.375 1
1 58 . 2 1 1 A 12 12 PRO HA H 12 4.316 4.282 0.034 1
1 59 . 2 1 1 A 12 12 PRO CB C 12 32.242 31.880 0.362 1
1 65 . 2 1 1 A 12 12 PRO C C 12 176.139 175.825 0.314 1
1 69 . 2 1 1 A 13 13 TYR N N 13 118.364 118.487 -0.123 1
1 70 . 2 1 1 A 13 13 TYR H H 13 7.941 7.332 0.609 1
1 71 . 2 1 1 A 13 13 TYR CA C 13 57.734 57.249 0.485 1
1 72 . 2 1 1 A 13 13 TYR HA H 13 4.583 5.075 -0.492 1
1 73 . 2 1 1 A 13 13 TYR CB C 13 38.810 40.454 -1.644 1
1 83 . 2 1 1 A 13 13 TYR C C 13 174.591 175.262 -0.671 1
1 85 . 2 1 1 A 14 14 ASN N N 14 121.715 118.600 3.115 1
1 86 . 2 1 1 A 14 14 ASN H H 14 8.714 9.219 -0.505 1
1 87 . 2 1 1 A 14 14 ASN CA C 14 52.503 51.971 0.532 1
1 88 . 2 1 1 A 14 14 ASN HA H 14 5.345 5.851 -0.506 1
1 89 . 2 1 1 A 14 14 ASN CB C 14 41.570 40.934 0.636 1
1 94 . 2 1 1 A 14 14 ASN C C 14 173.463 173.682 -0.219 1
1 96 . 2 1 1 A 15 15 CYS N N 15 124.857 124.547 0.310 1
1 97 . 2 1 1 A 15 15 CYS H H 15 9.202 8.975 0.227 1
1 98 . 2 1 1 A 15 15 CYS CA C 15 59.089 60.184 -1.095 1
1 99 . 2 1 1 A 15 15 CYS HA H 15 4.627 4.576 0.051 1
1 100 . 2 1 1 A 15 15 CYS CB C 15 29.702 28.178 1.524 1
1 102 . 2 1 1 A 15 15 CYS C C 15 177.005 174.693 2.312 1
1 104 . 2 1 1 A 16 16 LYS N N 16 131.671 128.221 3.450 1
1 105 . 2 1 1 A 16 16 LYS H H 16 9.303 8.921 0.382 1
1 106 . 2 1 1 A 16 16 LYS CA C 16 58.569 57.146 1.423 1
1 107 . 2 1 1 A 16 16 LYS HA H 16 4.162 4.337 -0.175 1
1 108 . 2 1 1 A 16 16 LYS CB C 16 32.192 32.301 -0.109 1
1 116 . 2 1 1 A 16 16 LYS C C 16 177.048 178.396 -1.348 1
1 121 . 2 1 1 A 17 17 GLU N N 17 119.887 119.814 0.073 1
1 122 . 2 1 1 A 17 17 GLU H H 17 8.581 8.288 0.293 1
1 123 . 2 1 1 A 17 17 GLU CA C 17 58.433 59.203 -0.770 1
1 124 . 2 1 1 A 17 17 GLU HA H 17 4.186 3.945 0.241 1
1 125 . 2 1 1 A 17 17 GLU CB C 17 29.328 28.685 0.643 1
1 129 . 2 1 1 A 17 17 GLU C C 17 177.219 178.515 -1.296 1
1 132 . 2 1 1 A 18 18 CYS N N 18 114.441 115.056 -0.615 1
1 133 . 2 1 1 A 18 18 CYS H H 18 7.918 7.852 0.066 1
1 134 . 2 1 1 A 18 18 CYS CA C 18 58.398 59.802 -1.404 1
1 135 . 2 1 1 A 18 18 CYS HA H 18 5.178 4.634 0.544 1
1 136 . 2 1 1 A 18 18 CYS CB C 18 32.515 29.537 2.978 1
1 138 . 2 1 1 A 18 18 CYS C C 18 176.163 175.313 0.850 1
1 140 . 2 1 1 A 19 19 GLY N N 19 113.399 110.166 3.233 1
1 141 . 2 1 1 A 19 19 GLY H H 19 8.276 8.125 0.151 1
1 142 . 2 1 1 A 19 19 GLY CA C 19 46.239 45.429 0.810 1
1 143 . 2 1 1 A 19 19 GLY HA3 H 19 4.238 4.075 0.163 1
1 144 . 2 1 1 A 19 19 GLY C C 19 174.108 174.235 -0.127 1
1 145 . 2 1 1 A 19 19 GLY HA2 H 19 3.895 4.064 -0.169 1
1 146 . 2 1 1 A 20 20 LYS N N 20 122.801 119.247 3.554 1
1 147 . 2 1 1 A 20 20 LYS H H 20 7.927 7.984 -0.057 1
1 148 . 2 1 1 A 20 20 LYS CA C 20 58.073 54.793 3.280 1
1 149 . 2 1 1 A 20 20 LYS HA H 20 4.028 4.570 -0.542 1
1 150 . 2 1 1 A 20 20 LYS CB C 20 33.995 34.224 -0.229 1
1 158 . 2 1 1 A 20 20 LYS C C 20 174.252 175.432 -1.180 1
1 163 . 2 1 1 A 21 21 SER N N 21 115.354 115.194 0.160 1
1 164 . 2 1 1 A 21 21 SER H H 21 7.753 8.301 -0.548 1
1 165 . 2 1 1 A 21 21 SER CA C 21 56.907 57.126 -0.219 1
1 166 . 2 1 1 A 21 21 SER HA H 21 5.264 5.375 -0.111 1
1 167 . 2 1 1 A 21 21 SER CB C 21 65.905 66.156 -0.251 1
1 169 . 2 1 1 A 21 21 SER C C 21 173.109 172.441 0.668 1
1 171 . 2 1 1 A 22 22 PHE N N 22 118.558 120.824 -2.266 1
1 172 . 2 1 1 A 22 22 PHE H H 22 8.756 8.766 -0.010 1
1 173 . 2 1 1 A 22 22 PHE CA C 22 57.139 56.545 0.594 1
1 174 . 2 1 1 A 22 22 PHE HA H 22 4.743 4.939 -0.196 1
1 175 . 2 1 1 A 22 22 PHE CB C 22 43.854 43.463 0.391 1
1 187 . 2 1 1 A 22 22 PHE C C 22 174.812 175.658 -0.846 1
1 189 . 2 1 1 A 23 23 ARG N N 23 121.492 120.976 0.516 1
1 190 . 2 1 1 A 23 23 ARG H H 23 9.062 9.080 -0.018 1
1 191 . 2 1 1 A 23 23 ARG CA C 23 58.297 58.140 0.157 1
1 192 . 2 1 1 A 23 23 ARG HA H 23 4.148 4.331 -0.183 1
1 193 . 2 1 1 A 23 23 ARG CB C 23 30.777 30.781 -0.004 1
1 199 . 2 1 1 A 23 23 ARG C C 23 175.059 176.458 -1.399 1
1 203 . 2 1 1 A 24 24 TRP N N 24 135.582 118.034 17.548 1
1 204 . 2 1 1 A 24 24 TRP H H 24 7.265 8.016 -0.751 1
1 205 . 2 1 1 A 24 24 TRP CA C 24 55.009 57.052 -2.043 1
1 206 . 2 1 1 A 24 24 TRP HA H 24 5.251 5.093 0.158 1
1 207 . 2 1 1 A 24 24 TRP CB C 24 32.664 31.932 0.732 1
1 221 . 2 1 1 A 24 24 TRP C C 24 176.478 175.795 0.683 1
1 223 . 2 1 1 A 25 25 ALA N N 25 127.796 123.862 3.934 1
1 224 . 2 1 1 A 25 25 ALA H H 25 8.590 8.802 -0.212 1
1 225 . 2 1 1 A 25 25 ALA CA C 25 55.039 54.803 0.236 1
1 226 . 2 1 1 A 25 25 ALA HA H 25 3.100 3.055 0.045 1
1 227 . 2 1 1 A 25 25 ALA CB C 25 17.676 18.531 -0.855 1
1 231 . 2 1 1 A 26 26 SER CA C 26 61.568 61.329 0.239 1
1 232 . 2 1 1 A 26 26 SER HA H 26 3.889 4.122 -0.233 1
1 233 . 2 1 1 A 26 26 SER CB C 26 60.859 62.778 -1.919 1
1 235 . 2 1 1 A 26 26 SER C C 26 177.407 176.799 0.608 1
1 237 . 2 1 1 A 27 27 CYS N N 27 122.821 119.525 3.296 1
1 238 . 2 1 1 A 27 27 CYS H H 27 7.093 8.311 -1.218 1
1 239 . 2 1 1 A 27 27 CYS CA C 27 62.747 63.494 -0.747 1
1 240 . 2 1 1 A 27 27 CYS HA H 27 4.000 3.994 0.006 1
1 241 . 2 1 1 A 27 27 CYS CB C 27 28.498 27.141 1.357 1
1 242 . 2 1 1 A 27 27 CYS C C 27 178.084 176.761 1.323 1
1 244 . 2 1 1 A 28 28 LEU N N 28 121.440 121.000 0.440 1
1 245 . 2 1 1 A 28 28 LEU H H 28 6.965 7.663 -0.698 1
1 246 . 2 1 1 A 28 28 LEU CA C 28 57.672 57.220 0.452 1
1 247 . 2 1 1 A 28 28 LEU HA H 28 3.210 2.522 0.688 1
1 248 . 2 1 1 A 28 28 LEU CB C 28 40.463 41.178 -0.715 1
1 260 . 2 1 1 A 28 28 LEU C C 28 177.411 177.663 -0.252 1
1 262 . 2 1 1 A 29 29 LEU N N 29 119.582 119.771 -0.189 1
1 263 . 2 1 1 A 29 29 LEU H H 29 7.918 8.112 -0.194 1
1 264 . 2 1 1 A 29 29 LEU CA C 29 58.172 58.506 -0.334 1
1 265 . 2 1 1 A 29 29 LEU HA H 29 4.085 3.908 0.177 1
1 266 . 2 1 1 A 29 29 LEU CB C 29 41.634 41.578 0.056 1
1 278 . 2 1 1 A 29 29 LEU C C 29 179.868 178.488 1.380 1
1 280 . 2 1 1 A 30 30 LYS N N 30 117.949 118.206 -0.257 1
1 281 . 2 1 1 A 30 30 LYS H H 30 7.494 8.203 -0.709 1
1 282 . 2 1 1 A 30 30 LYS CA C 30 59.428 57.916 1.512 1
1 283 . 2 1 1 A 30 30 LYS HA H 30 3.947 4.034 -0.087 1
1 284 . 2 1 1 A 30 30 LYS CB C 30 32.538 32.455 0.083 1
1 292 . 2 1 1 A 30 30 LYS C C 30 179.147 178.196 0.951 1
1 297 . 2 1 1 A 31 31 HIS N N 31 118.910 120.765 -1.855 1
1 298 . 2 1 1 A 31 31 HIS H H 31 7.688 7.663 0.025 1
1 299 . 2 1 1 A 31 31 HIS CA C 31 58.850 59.496 -0.646 1
1 300 . 2 1 1 A 31 31 HIS HA H 31 4.237 4.202 0.035 1
1 301 . 2 1 1 A 31 31 HIS CB C 31 28.584 29.708 -1.124 1
1 307 . 2 1 1 A 31 31 HIS C C 31 176.001 177.493 -1.492 1
1 309 . 2 1 1 A 32 32 GLN N N 32 115.428 118.115 -2.687 1
1 310 . 2 1 1 A 32 32 GLN H H 32 8.230 8.215 0.015 1
1 311 . 2 1 1 A 32 32 GLN CA C 32 59.190 59.068 0.122 1
1 312 . 2 1 1 A 32 32 GLN HA H 32 3.706 3.794 -0.088 1
1 313 . 2 1 1 A 32 32 GLN CB C 32 28.135 28.275 -0.140 1
1 320 . 2 1 1 A 32 32 GLN C C 32 177.623 178.620 -0.997 1
1 323 . 2 1 1 A 33 33 ARG N N 33 118.204 120.661 -2.457 1
1 324 . 2 1 1 A 33 33 ARG H H 33 7.197 8.046 -0.849 1
1 325 . 2 1 1 A 33 33 ARG CA C 33 58.506 59.188 -0.682 1
1 326 . 2 1 1 A 33 33 ARG HA H 33 4.134 3.933 0.201 1
1 327 . 2 1 1 A 33 33 ARG CB C 33 29.842 29.756 0.086 1
1 333 . 2 1 1 A 33 33 ARG C C 33 178.649 178.407 0.242 1
1 337 . 2 1 1 A 34 34 VAL N N 34 116.486 117.167 -0.681 1
1 338 . 2 1 1 A 34 34 VAL H H 34 7.902 7.614 0.288 1
1 339 . 2 1 1 A 34 34 VAL CA C 34 64.123 65.315 -1.192 1
1 340 . 2 1 1 A 34 34 VAL HA H 34 3.905 3.747 0.158 1
1 341 . 2 1 1 A 34 34 VAL CB C 34 31.069 31.093 -0.024 1
1 351 . 2 1 1 A 34 34 VAL C C 34 177.281 177.115 0.166 1
1 352 . 2 1 1 A 35 35 HIS N N 35 117.033 120.117 -3.084 1
1 353 . 2 1 1 A 35 35 HIS H H 35 7.126 7.689 -0.563 1
1 354 . 2 1 1 A 35 35 HIS CA C 35 54.996 56.221 -1.225 1
1 355 . 2 1 1 A 35 35 HIS HA H 35 4.875 4.614 0.261 1
1 356 . 2 1 1 A 35 35 HIS CB C 35 28.704 29.155 -0.451 1
1 362 . 2 1 1 A 35 35 HIS C C 35 175.499 175.997 -0.498 1
1 364 . 2 1 1 A 36 36 SER N N 36 114.731 114.354 0.377 1
1 365 . 2 1 1 A 36 36 SER H H 36 7.792 7.897 -0.105 1
1 366 . 2 1 1 A 36 36 SER CA C 36 59.098 59.835 -0.737 1
1 367 . 2 1 1 A 36 36 SER HA H 36 4.463 4.182 0.281 1
1 368 . 2 1 1 A 36 36 SER CB C 36 64.002 63.687 0.315 1
1 370 . 2 1 1 A 36 36 SER C C 36 175.139 174.460 0.679 1
1 372 . 2 1 1 A 37 37 GLY N N 37 110.777 110.328 0.449 1
1 373 . 2 1 1 A 37 37 GLY H H 37 8.316 7.894 0.422 1
1 374 . 2 1 1 A 37 37 GLY CA C 37 45.362 46.482 -1.120 1
1 375 . 2 1 1 A 37 37 GLY HA3 H 37 4.002 3.958 0.044 1
1 376 . 2 1 1 A 37 37 GLY C C 37 174.036 174.047 -0.011 1
1 377 . 2 1 1 A 37 37 GLY HA2 H 37 4.002 3.952 0.050 1
1 378 . 2 1 1 A 38 38 GLU N N 38 120.515 121.677 -1.162 1
1 379 . 2 1 1 A 38 38 GLU H H 38 8.100 8.342 -0.242 1
1 380 . 2 1 1 A 38 38 GLU CA C 38 56.424 56.187 0.237 1
1 381 . 2 1 1 A 38 38 GLU HA H 38 4.269 4.420 -0.151 1
1 382 . 2 1 1 A 38 38 GLU CB C 38 30.494 30.388 0.106 1
1 386 . 2 1 1 A 38 38 GLU C C 38 176.249 175.853 0.396 1
1 389 . 2 1 1 A 39 39 LYS N N 39 123.799 122.316 1.483 1
1 390 . 2 1 1 A 39 39 LYS H H 39 8.409 8.823 -0.414 1
1 391 . 2 1 1 A 39 39 LYS CA C 39 54.163 54.213 -0.050 1
1 392 . 2 1 1 A 39 39 LYS HA H 39 4.622 4.491 0.131 1
1 393 . 2 1 1 A 39 39 LYS CB C 39 32.492 31.913 0.579 1
1 405 . 2 1 1 A 40 40 PRO CA C 40 63.257 64.210 -0.953 1
1 406 . 2 1 1 A 40 40 PRO HA H 40 4.475 4.378 0.097 1
1 407 . 2 1 1 A 40 40 PRO CB C 40 32.139 31.991 0.148 1
1 416 . 2 1 1 A 45 45 SER CA C 45 58.385 57.306 1.079 1
1 417 . 2 1 1 A 45 45 SER HA H 45 4.458 4.849 -0.391 1
1 418 . 2 1 1 A 45 45 SER CB C 45 64.084 63.791 0.293 1
1 420 . 2 1 1 A 45 45 SER C C 45 173.896 174.727 -0.831 1
1 1 . 3 1 1 A 6 6 SER CA C 6 58.575 56.720 1.855 1
1 2 . 3 1 1 A 6 6 SER HA H 6 4.453 4.752 -0.299 1
1 3 . 3 1 1 A 6 6 SER CB C 6 63.817 64.062 -0.245 1
1 5 . 3 1 1 A 6 6 SER C C 6 175.107 173.671 1.436 1
1 7 . 3 1 1 A 7 7 GLY N N 7 110.865 114.809 -3.944 1
1 8 . 3 1 1 A 7 7 GLY H H 7 8.455 8.240 0.215 1
1 9 . 3 1 1 A 7 7 GLY CA C 7 45.447 45.299 0.148 1
1 10 . 3 1 1 A 7 7 GLY HA3 H 7 4.006 4.149 -0.143 1
1 11 . 3 1 1 A 7 7 GLY C C 7 174.454 174.999 -0.545 1
1 12 . 3 1 1 A 7 7 GLY HA2 H 7 4.006 4.147 -0.141 1
1 13 . 3 1 1 A 8 8 THR N N 8 112.847 116.401 -3.554 1
1 14 . 3 1 1 A 8 8 THR H H 8 8.139 8.201 -0.062 1
1 15 . 3 1 1 A 8 8 THR CA C 8 61.905 65.997 -4.092 1
1 16 . 3 1 1 A 8 8 THR HA H 8 4.353 3.883 0.470 1
1 17 . 3 1 1 A 8 8 THR CB C 8 69.843 68.739 1.104 1
1 23 . 3 1 1 A 8 8 THR C C 8 175.228 175.159 0.069 1
1 24 . 3 1 1 A 9 9 GLY N N 9 110.821 105.541 5.280 1
1 25 . 3 1 1 A 9 9 GLY H H 9 8.421 7.433 0.988 1
1 26 . 3 1 1 A 9 9 GLY CA C 9 45.254 46.041 -0.787 1
1 27 . 3 1 1 A 9 9 GLY HA3 H 9 3.949 4.013 -0.064 1
1 28 . 3 1 1 A 9 9 GLY C C 9 174.011 171.660 2.351 1
1 29 . 3 1 1 A 9 9 GLY HA2 H 9 3.892 4.007 -0.115 1
1 30 . 3 1 1 A 10 10 GLU N N 10 120.237 121.309 -1.072 1
1 31 . 3 1 1 A 10 10 GLU H H 10 8.182 8.623 -0.441 1
1 32 . 3 1 1 A 10 10 GLU CA C 10 56.937 55.432 1.505 1
1 33 . 3 1 1 A 10 10 GLU HA H 10 4.144 4.953 -0.809 1
1 34 . 3 1 1 A 10 10 GLU CB C 10 30.378 33.115 -2.737 1
1 38 . 3 1 1 A 10 10 GLU C C 10 176.184 175.219 0.965 1
1 41 . 3 1 1 A 11 11 LYS N N 11 121.342 126.861 -5.519 1
1 42 . 3 1 1 A 11 11 LYS H H 11 8.229 8.454 -0.225 1
1 43 . 3 1 1 A 11 11 LYS CA C 11 53.834 54.890 -1.056 1
1 44 . 3 1 1 A 11 11 LYS HA H 11 4.484 4.232 0.252 1
1 45 . 3 1 1 A 11 11 LYS CB C 11 32.967 31.875 1.092 1
1 57 . 3 1 1 A 12 12 PRO CA C 12 63.387 64.681 -1.294 1
1 58 . 3 1 1 A 12 12 PRO HA H 12 4.316 4.329 -0.013 1
1 59 . 3 1 1 A 12 12 PRO CB C 12 32.242 31.803 0.439 1
1 65 . 3 1 1 A 12 12 PRO C C 12 176.139 175.748 0.391 1
1 69 . 3 1 1 A 13 13 TYR N N 13 118.364 118.309 0.055 1
1 70 . 3 1 1 A 13 13 TYR H H 13 7.941 7.299 0.642 1
1 71 . 3 1 1 A 13 13 TYR CA C 13 57.734 57.441 0.293 1
1 72 . 3 1 1 A 13 13 TYR HA H 13 4.583 5.050 -0.467 1
1 73 . 3 1 1 A 13 13 TYR CB C 13 38.810 41.041 -2.231 1
1 83 . 3 1 1 A 13 13 TYR C C 13 174.591 175.098 -0.507 1
1 85 . 3 1 1 A 14 14 ASN N N 14 121.715 117.926 3.789 1
1 86 . 3 1 1 A 14 14 ASN H H 14 8.714 9.307 -0.593 1
1 87 . 3 1 1 A 14 14 ASN CA C 14 52.503 52.050 0.453 1
1 88 . 3 1 1 A 14 14 ASN HA H 14 5.345 5.973 -0.628 1
1 89 . 3 1 1 A 14 14 ASN CB C 14 41.570 41.150 0.420 1
1 94 . 3 1 1 A 14 14 ASN C C 14 173.463 173.446 0.017 1
1 96 . 3 1 1 A 15 15 CYS N N 15 124.857 124.391 0.466 1
1 97 . 3 1 1 A 15 15 CYS H H 15 9.202 9.181 0.021 1
1 98 . 3 1 1 A 15 15 CYS CA C 15 59.089 59.637 -0.548 1
1 99 . 3 1 1 A 15 15 CYS HA H 15 4.627 4.623 0.004 1
1 100 . 3 1 1 A 15 15 CYS CB C 15 29.702 28.577 1.125 1
1 102 . 3 1 1 A 15 15 CYS C C 15 177.005 175.776 1.229 1
1 104 . 3 1 1 A 16 16 LYS N N 16 131.671 128.736 2.935 1
1 105 . 3 1 1 A 16 16 LYS H H 16 9.303 8.744 0.559 1
1 106 . 3 1 1 A 16 16 LYS CA C 16 58.569 59.489 -0.920 1
1 107 . 3 1 1 A 16 16 LYS HA H 16 4.162 3.956 0.206 1
1 108 . 3 1 1 A 16 16 LYS CB C 16 32.192 32.141 0.051 1
1 116 . 3 1 1 A 16 16 LYS C C 16 177.048 178.319 -1.271 1
1 121 . 3 1 1 A 17 17 GLU N N 17 119.887 118.148 1.739 1
1 122 . 3 1 1 A 17 17 GLU H H 17 8.581 8.391 0.190 1
1 123 . 3 1 1 A 17 17 GLU CA C 17 58.433 59.058 -0.625 1
1 124 . 3 1 1 A 17 17 GLU HA H 17 4.186 3.917 0.269 1
1 125 . 3 1 1 A 17 17 GLU CB C 17 29.328 28.660 0.668 1
1 129 . 3 1 1 A 17 17 GLU C C 17 177.219 178.367 -1.148 1
1 132 . 3 1 1 A 18 18 CYS N N 18 114.441 114.878 -0.437 1
1 133 . 3 1 1 A 18 18 CYS H H 18 7.918 7.852 0.066 1
1 134 . 3 1 1 A 18 18 CYS CA C 18 58.398 59.705 -1.307 1
1 135 . 3 1 1 A 18 18 CYS HA H 18 5.178 4.620 0.558 1
1 136 . 3 1 1 A 18 18 CYS CB C 18 32.515 29.564 2.951 1
1 138 . 3 1 1 A 18 18 CYS C C 18 176.163 175.397 0.766 1
1 140 . 3 1 1 A 19 19 GLY N N 19 113.399 110.388 3.011 1
1 141 . 3 1 1 A 19 19 GLY H H 19 8.276 8.142 0.134 1
1 142 . 3 1 1 A 19 19 GLY CA C 19 46.239 45.527 0.712 1
1 143 . 3 1 1 A 19 19 GLY HA3 H 19 4.238 4.061 0.177 1
1 144 . 3 1 1 A 19 19 GLY C C 19 174.108 174.172 -0.064 1
1 145 . 3 1 1 A 19 19 GLY HA2 H 19 3.895 4.051 -0.156 1
1 146 . 3 1 1 A 20 20 LYS N N 20 122.801 119.245 3.556 1
1 147 . 3 1 1 A 20 20 LYS H H 20 7.927 7.544 0.383 1
1 148 . 3 1 1 A 20 20 LYS CA C 20 58.073 54.608 3.465 1
1 149 . 3 1 1 A 20 20 LYS HA H 20 4.028 4.706 -0.678 1
1 150 . 3 1 1 A 20 20 LYS CB C 20 33.995 34.493 -0.498 1
1 158 . 3 1 1 A 20 20 LYS C C 20 174.252 175.700 -1.448 1
1 163 . 3 1 1 A 21 21 SER N N 21 115.354 116.295 -0.941 1
1 164 . 3 1 1 A 21 21 SER H H 21 7.753 8.582 -0.829 1
1 165 . 3 1 1 A 21 21 SER CA C 21 56.907 56.785 0.122 1
1 166 . 3 1 1 A 21 21 SER HA H 21 5.264 5.778 -0.514 1
1 167 . 3 1 1 A 21 21 SER CB C 21 65.905 66.536 -0.631 1
1 169 . 3 1 1 A 21 21 SER C C 21 173.109 172.852 0.257 1
1 171 . 3 1 1 A 22 22 PHE N N 22 118.558 120.722 -2.164 1
1 172 . 3 1 1 A 22 22 PHE H H 22 8.756 8.707 0.049 1
1 173 . 3 1 1 A 22 22 PHE CA C 22 57.139 56.459 0.680 1
1 174 . 3 1 1 A 22 22 PHE HA H 22 4.743 4.856 -0.113 1
1 175 . 3 1 1 A 22 22 PHE CB C 22 43.854 43.002 0.852 1
1 187 . 3 1 1 A 22 22 PHE C C 22 174.812 175.717 -0.905 1
1 189 . 3 1 1 A 23 23 ARG N N 23 121.492 123.737 -2.245 1
1 190 . 3 1 1 A 23 23 ARG H H 23 9.062 8.837 0.225 1
1 191 . 3 1 1 A 23 23 ARG CA C 23 58.297 58.583 -0.286 1
1 192 . 3 1 1 A 23 23 ARG HA H 23 4.148 4.111 0.037 1
1 193 . 3 1 1 A 23 23 ARG CB C 23 30.777 30.843 -0.066 1
1 199 . 3 1 1 A 23 23 ARG C C 23 175.059 175.638 -0.579 1
1 203 . 3 1 1 A 24 24 TRP N N 24 135.582 117.430 18.152 1
1 204 . 3 1 1 A 24 24 TRP H H 24 7.265 8.016 -0.751 1
1 205 . 3 1 1 A 24 24 TRP CA C 24 55.009 56.745 -1.736 1
1 206 . 3 1 1 A 24 24 TRP HA H 24 5.251 5.053 0.198 1
1 207 . 3 1 1 A 24 24 TRP CB C 24 32.664 32.131 0.533 1
1 221 . 3 1 1 A 24 24 TRP C C 24 176.478 175.916 0.562 1
1 223 . 3 1 1 A 25 25 ALA N N 25 127.796 123.853 3.943 1
1 224 . 3 1 1 A 25 25 ALA H H 25 8.590 8.849 -0.259 1
1 225 . 3 1 1 A 25 25 ALA CA C 25 55.039 55.112 -0.073 1
1 226 . 3 1 1 A 25 25 ALA HA H 25 3.100 3.329 -0.229 1
1 227 . 3 1 1 A 25 25 ALA CB C 25 17.676 18.408 -0.732 1
1 231 . 3 1 1 A 26 26 SER CA C 26 61.568 62.483 -0.915 1
1 232 . 3 1 1 A 26 26 SER HA H 26 3.889 4.044 -0.155 1
1 233 . 3 1 1 A 26 26 SER CB C 26 60.859 62.703 -1.844 1
1 235 . 3 1 1 A 26 26 SER C C 26 177.407 176.742 0.665 1
1 237 . 3 1 1 A 27 27 CYS N N 27 122.821 119.817 3.004 1
1 238 . 3 1 1 A 27 27 CYS H H 27 7.093 8.394 -1.301 1
1 239 . 3 1 1 A 27 27 CYS CA C 27 62.747 63.575 -0.828 1
1 240 . 3 1 1 A 27 27 CYS HA H 27 4.000 4.135 -0.135 1
1 241 . 3 1 1 A 27 27 CYS CB C 27 28.498 27.375 1.123 1
1 242 . 3 1 1 A 27 27 CYS C C 27 178.084 177.038 1.046 1
1 244 . 3 1 1 A 28 28 LEU N N 28 121.440 120.900 0.540 1
1 245 . 3 1 1 A 28 28 LEU H H 28 6.965 7.550 -0.585 1
1 246 . 3 1 1 A 28 28 LEU CA C 28 57.672 56.869 0.803 1
1 247 . 3 1 1 A 28 28 LEU HA H 28 3.210 1.992 1.218 1
1 248 . 3 1 1 A 28 28 LEU CB C 28 40.463 40.970 -0.507 1
1 260 . 3 1 1 A 28 28 LEU C C 28 177.411 178.085 -0.674 1
1 262 . 3 1 1 A 29 29 LEU N N 29 119.582 118.599 0.983 1
1 263 . 3 1 1 A 29 29 LEU H H 29 7.918 8.168 -0.250 1
1 264 . 3 1 1 A 29 29 LEU CA C 29 58.172 57.978 0.194 1
1 265 . 3 1 1 A 29 29 LEU HA H 29 4.085 3.746 0.339 1
1 266 . 3 1 1 A 29 29 LEU CB C 29 41.634 41.783 -0.149 1
1 278 . 3 1 1 A 29 29 LEU C C 29 179.868 178.612 1.256 1
1 280 . 3 1 1 A 30 30 LYS N N 30 117.949 117.067 0.882 1
1 281 . 3 1 1 A 30 30 LYS H H 30 7.494 8.103 -0.609 1
1 282 . 3 1 1 A 30 30 LYS CA C 30 59.428 58.739 0.689 1
1 283 . 3 1 1 A 30 30 LYS HA H 30 3.947 4.007 -0.060 1
1 284 . 3 1 1 A 30 30 LYS CB C 30 32.538 32.446 0.092 1
1 292 . 3 1 1 A 30 30 LYS C C 30 179.147 178.686 0.461 1
1 297 . 3 1 1 A 31 31 HIS N N 31 118.910 120.590 -1.680 1
1 298 . 3 1 1 A 31 31 HIS H H 31 7.688 8.037 -0.349 1
1 299 . 3 1 1 A 31 31 HIS CA C 31 58.850 59.562 -0.712 1
1 300 . 3 1 1 A 31 31 HIS HA H 31 4.237 4.252 -0.015 1
1 301 . 3 1 1 A 31 31 HIS CB C 31 28.584 30.156 -1.572 1
1 307 . 3 1 1 A 31 31 HIS C C 31 176.001 177.255 -1.254 1
1 309 . 3 1 1 A 32 32 GLN N N 32 115.428 118.262 -2.834 1
1 310 . 3 1 1 A 32 32 GLN H H 32 8.230 8.116 0.114 1
1 311 . 3 1 1 A 32 32 GLN CA C 32 59.190 58.974 0.216 1
1 312 . 3 1 1 A 32 32 GLN HA H 32 3.706 3.799 -0.093 1
1 313 . 3 1 1 A 32 32 GLN CB C 32 28.135 28.269 -0.134 1
1 320 . 3 1 1 A 32 32 GLN C C 32 177.623 178.416 -0.793 1
1 323 . 3 1 1 A 33 33 ARG N N 33 118.204 120.223 -2.019 1
1 324 . 3 1 1 A 33 33 ARG H H 33 7.197 7.568 -0.371 1
1 325 . 3 1 1 A 33 33 ARG CA C 33 58.506 58.965 -0.459 1
1 326 . 3 1 1 A 33 33 ARG HA H 33 4.134 3.997 0.137 1
1 327 . 3 1 1 A 33 33 ARG CB C 33 29.842 29.913 -0.071 1
1 333 . 3 1 1 A 33 33 ARG C C 33 178.649 178.872 -0.223 1
1 337 . 3 1 1 A 34 34 VAL N N 34 116.486 116.505 -0.019 1
1 338 . 3 1 1 A 34 34 VAL H H 34 7.902 7.816 0.086 1
1 339 . 3 1 1 A 34 34 VAL CA C 34 64.123 65.129 -1.006 1
1 340 . 3 1 1 A 34 34 VAL HA H 34 3.905 3.708 0.197 1
1 341 . 3 1 1 A 34 34 VAL CB C 34 31.069 31.174 -0.105 1
1 351 . 3 1 1 A 34 34 VAL C C 34 177.281 176.528 0.753 1
1 352 . 3 1 1 A 35 35 HIS N N 35 117.033 119.686 -2.653 1
1 353 . 3 1 1 A 35 35 HIS H H 35 7.126 7.617 -0.491 1
1 354 . 3 1 1 A 35 35 HIS CA C 35 54.996 55.146 -0.150 1
1 355 . 3 1 1 A 35 35 HIS HA H 35 4.875 4.670 0.205 1
1 356 . 3 1 1 A 35 35 HIS CB C 35 28.704 29.160 -0.456 1
1 362 . 3 1 1 A 35 35 HIS C C 35 175.499 174.529 0.970 1
1 364 . 3 1 1 A 36 36 SER N N 36 114.731 116.181 -1.450 1
1 365 . 3 1 1 A 36 36 SER H H 36 7.792 7.723 0.069 1
1 366 . 3 1 1 A 36 36 SER CA C 36 59.098 56.766 2.332 1
1 367 . 3 1 1 A 36 36 SER HA H 36 4.463 4.873 -0.410 1
1 368 . 3 1 1 A 36 36 SER CB C 36 64.002 65.141 -1.139 1
1 370 . 3 1 1 A 36 36 SER C C 36 175.139 173.615 1.524 1
1 372 . 3 1 1 A 37 37 GLY N N 37 110.777 113.678 -2.901 1
1 373 . 3 1 1 A 37 37 GLY H H 37 8.316 8.459 -0.143 1
1 374 . 3 1 1 A 37 37 GLY CA C 37 45.362 43.960 1.402 1
1 375 . 3 1 1 A 37 37 GLY HA3 H 37 4.002 4.147 -0.145 1
1 376 . 3 1 1 A 37 37 GLY C C 37 174.036 171.548 2.488 1
1 377 . 3 1 1 A 37 37 GLY HA2 H 37 4.002 4.147 -0.145 1
1 378 . 3 1 1 A 38 38 GLU N N 38 120.515 120.103 0.412 1
1 379 . 3 1 1 A 38 38 GLU H H 38 8.100 8.537 -0.437 1
1 380 . 3 1 1 A 38 38 GLU CA C 38 56.424 55.763 0.661 1
1 381 . 3 1 1 A 38 38 GLU HA H 38 4.269 4.863 -0.594 1
1 382 . 3 1 1 A 38 38 GLU CB C 38 30.494 33.207 -2.713 1
1 386 . 3 1 1 A 38 38 GLU C C 38 176.249 175.219 1.030 1
1 389 . 3 1 1 A 39 39 LYS N N 39 123.799 127.176 -3.377 1
1 390 . 3 1 1 A 39 39 LYS H H 39 8.409 8.412 -0.003 1
1 391 . 3 1 1 A 39 39 LYS CA C 39 54.163 55.055 -0.892 1
1 392 . 3 1 1 A 39 39 LYS HA H 39 4.622 4.412 0.210 1
1 393 . 3 1 1 A 39 39 LYS CB C 39 32.492 31.512 0.980 1
1 405 . 3 1 1 A 40 40 PRO CA C 40 63.257 62.801 0.456 1
1 406 . 3 1 1 A 40 40 PRO HA H 40 4.475 4.635 -0.160 1
1 407 . 3 1 1 A 40 40 PRO CB C 40 32.139 32.429 -0.290 1
1 416 . 3 1 1 A 45 45 SER CA C 45 58.385 59.142 -0.757 1
1 417 . 3 1 1 A 45 45 SER HA H 45 4.458 4.200 0.258 1
1 418 . 3 1 1 A 45 45 SER CB C 45 64.084 61.599 2.485 1
1 420 . 3 1 1 A 45 45 SER C C 45 173.896 174.452 -0.556 1
1 1 . 4 1 1 A 6 6 SER CA C 6 58.575 60.427 -1.852 1
1 2 . 4 1 1 A 6 6 SER HA H 6 4.453 4.434 0.019 1
1 3 . 4 1 1 A 6 6 SER CB C 6 63.817 63.657 0.160 1
1 5 . 4 1 1 A 6 6 SER C C 6 175.107 174.689 0.418 1
1 7 . 4 1 1 A 7 7 GLY N N 7 110.865 104.680 6.185 1
1 8 . 4 1 1 A 7 7 GLY H H 7 8.455 7.324 1.131 1
1 9 . 4 1 1 A 7 7 GLY CA C 7 45.447 46.012 -0.565 1
1 10 . 4 1 1 A 7 7 GLY HA3 H 7 4.006 4.033 -0.027 1
1 11 . 4 1 1 A 7 7 GLY C C 7 174.454 174.097 0.357 1
1 12 . 4 1 1 A 7 7 GLY HA2 H 7 4.006 4.031 -0.025 1
1 13 . 4 1 1 A 8 8 THR N N 8 112.847 115.323 -2.476 1
1 14 . 4 1 1 A 8 8 THR H H 8 8.139 8.668 -0.529 1
1 15 . 4 1 1 A 8 8 THR CA C 8 61.905 64.594 -2.689 1
1 16 . 4 1 1 A 8 8 THR HA H 8 4.353 4.308 0.045 1
1 17 . 4 1 1 A 8 8 THR CB C 8 69.843 69.266 0.577 1
1 23 . 4 1 1 A 8 8 THR C C 8 175.228 175.034 0.194 1
1 24 . 4 1 1 A 9 9 GLY N N 9 110.821 107.144 3.677 1
1 25 . 4 1 1 A 9 9 GLY H H 9 8.421 7.576 0.845 1
1 26 . 4 1 1 A 9 9 GLY CA C 9 45.254 45.455 -0.201 1
1 27 . 4 1 1 A 9 9 GLY HA3 H 9 3.949 4.083 -0.134 1
1 28 . 4 1 1 A 9 9 GLY C C 9 174.011 174.783 -0.772 1
1 29 . 4 1 1 A 9 9 GLY HA2 H 9 3.892 4.076 -0.184 1
1 30 . 4 1 1 A 10 10 GLU N N 10 120.237 120.567 -0.330 1
1 31 . 4 1 1 A 10 10 GLU H H 10 8.182 8.178 0.004 1
1 32 . 4 1 1 A 10 10 GLU CA C 10 56.937 56.012 0.925 1
1 33 . 4 1 1 A 10 10 GLU HA H 10 4.144 4.342 -0.198 1
1 34 . 4 1 1 A 10 10 GLU CB C 10 30.378 28.766 1.612 1
1 38 . 4 1 1 A 10 10 GLU C C 10 176.184 176.109 0.075 1
1 41 . 4 1 1 A 11 11 LYS N N 11 121.342 124.518 -3.176 1
1 42 . 4 1 1 A 11 11 LYS H H 11 8.229 7.871 0.358 1
1 43 . 4 1 1 A 11 11 LYS CA C 11 53.834 53.075 0.759 1
1 44 . 4 1 1 A 11 11 LYS HA H 11 4.484 4.752 -0.268 1
1 45 . 4 1 1 A 11 11 LYS CB C 11 32.967 33.920 -0.953 1
1 57 . 4 1 1 A 12 12 PRO CA C 12 63.387 64.660 -1.273 1
1 58 . 4 1 1 A 12 12 PRO HA H 12 4.316 4.280 0.036 1
1 59 . 4 1 1 A 12 12 PRO CB C 12 32.242 31.688 0.554 1
1 65 . 4 1 1 A 12 12 PRO C C 12 176.139 175.828 0.311 1
1 69 . 4 1 1 A 13 13 TYR N N 13 118.364 118.454 -0.090 1
1 70 . 4 1 1 A 13 13 TYR H H 13 7.941 7.223 0.718 1
1 71 . 4 1 1 A 13 13 TYR CA C 13 57.734 57.676 0.058 1
1 72 . 4 1 1 A 13 13 TYR HA H 13 4.583 5.018 -0.435 1
1 73 . 4 1 1 A 13 13 TYR CB C 13 38.810 40.400 -1.590 1
1 83 . 4 1 1 A 13 13 TYR C C 13 174.591 175.349 -0.758 1
1 85 . 4 1 1 A 14 14 ASN N N 14 121.715 118.367 3.348 1
1 86 . 4 1 1 A 14 14 ASN H H 14 8.714 9.285 -0.571 1
1 87 . 4 1 1 A 14 14 ASN CA C 14 52.503 52.102 0.401 1
1 88 . 4 1 1 A 14 14 ASN HA H 14 5.345 5.992 -0.647 1
1 89 . 4 1 1 A 14 14 ASN CB C 14 41.570 40.941 0.629 1
1 94 . 4 1 1 A 14 14 ASN C C 14 173.463 173.794 -0.331 1
1 96 . 4 1 1 A 15 15 CYS N N 15 124.857 124.374 0.483 1
1 97 . 4 1 1 A 15 15 CYS H H 15 9.202 8.786 0.416 1
1 98 . 4 1 1 A 15 15 CYS CA C 15 59.089 60.203 -1.114 1
1 99 . 4 1 1 A 15 15 CYS HA H 15 4.627 4.575 0.052 1
1 100 . 4 1 1 A 15 15 CYS CB C 15 29.702 28.869 0.833 1
1 102 . 4 1 1 A 15 15 CYS C C 15 177.005 175.934 1.071 1
1 104 . 4 1 1 A 16 16 LYS N N 16 131.671 128.497 3.174 1
1 105 . 4 1 1 A 16 16 LYS H H 16 9.303 8.799 0.504 1
1 106 . 4 1 1 A 16 16 LYS CA C 16 58.569 59.588 -1.019 1
1 107 . 4 1 1 A 16 16 LYS HA H 16 4.162 4.030 0.132 1
1 108 . 4 1 1 A 16 16 LYS CB C 16 32.192 32.476 -0.284 1
1 116 . 4 1 1 A 16 16 LYS C C 16 177.048 179.026 -1.978 1
1 121 . 4 1 1 A 17 17 GLU N N 17 119.887 119.275 0.612 1
1 122 . 4 1 1 A 17 17 GLU H H 17 8.581 8.326 0.255 1
1 123 . 4 1 1 A 17 17 GLU CA C 17 58.433 59.187 -0.754 1
1 124 . 4 1 1 A 17 17 GLU HA H 17 4.186 3.933 0.253 1
1 125 . 4 1 1 A 17 17 GLU CB C 17 29.328 28.797 0.531 1
1 129 . 4 1 1 A 17 17 GLU C C 17 177.219 178.354 -1.135 1
1 132 . 4 1 1 A 18 18 CYS N N 18 114.441 114.898 -0.457 1
1 133 . 4 1 1 A 18 18 CYS H H 18 7.918 7.876 0.042 1
1 134 . 4 1 1 A 18 18 CYS CA C 18 58.398 59.717 -1.319 1
1 135 . 4 1 1 A 18 18 CYS HA H 18 5.178 4.640 0.538 1
1 136 . 4 1 1 A 18 18 CYS CB C 18 32.515 29.585 2.930 1
1 138 . 4 1 1 A 18 18 CYS C C 18 176.163 175.432 0.731 1
1 140 . 4 1 1 A 19 19 GLY N N 19 113.399 110.241 3.158 1
1 141 . 4 1 1 A 19 19 GLY H H 19 8.276 8.207 0.069 1
1 142 . 4 1 1 A 19 19 GLY CA C 19 46.239 45.511 0.728 1
1 143 . 4 1 1 A 19 19 GLY HA3 H 19 4.238 4.048 0.190 1
1 144 . 4 1 1 A 19 19 GLY C C 19 174.108 174.273 -0.165 1
1 145 . 4 1 1 A 19 19 GLY HA2 H 19 3.895 4.040 -0.145 1
1 146 . 4 1 1 A 20 20 LYS N N 20 122.801 119.397 3.404 1
1 147 . 4 1 1 A 20 20 LYS H H 20 7.927 7.568 0.359 1
1 148 . 4 1 1 A 20 20 LYS CA C 20 58.073 54.650 3.423 1
1 149 . 4 1 1 A 20 20 LYS HA H 20 4.028 4.579 -0.551 1
1 150 . 4 1 1 A 20 20 LYS CB C 20 33.995 34.237 -0.242 1
1 158 . 4 1 1 A 20 20 LYS C C 20 174.252 175.594 -1.342 1
1 163 . 4 1 1 A 21 21 SER N N 21 115.354 116.245 -0.891 1
1 164 . 4 1 1 A 21 21 SER H H 21 7.753 8.412 -0.659 1
1 165 . 4 1 1 A 21 21 SER CA C 21 56.907 56.588 0.319 1
1 166 . 4 1 1 A 21 21 SER HA H 21 5.264 5.520 -0.256 1
1 167 . 4 1 1 A 21 21 SER CB C 21 65.905 65.994 -0.089 1
1 169 . 4 1 1 A 21 21 SER C C 21 173.109 172.581 0.528 1
1 171 . 4 1 1 A 22 22 PHE N N 22 118.558 121.704 -3.146 1
1 172 . 4 1 1 A 22 22 PHE H H 22 8.756 8.886 -0.130 1
1 173 . 4 1 1 A 22 22 PHE CA C 22 57.139 56.209 0.930 1
1 174 . 4 1 1 A 22 22 PHE HA H 22 4.743 4.918 -0.175 1
1 175 . 4 1 1 A 22 22 PHE CB C 22 43.854 42.983 0.871 1
1 187 . 4 1 1 A 22 22 PHE C C 22 174.812 175.708 -0.896 1
1 189 . 4 1 1 A 23 23 ARG N N 23 121.492 124.139 -2.647 1
1 190 . 4 1 1 A 23 23 ARG H H 23 9.062 8.874 0.188 1
1 191 . 4 1 1 A 23 23 ARG CA C 23 58.297 58.718 -0.421 1
1 192 . 4 1 1 A 23 23 ARG HA H 23 4.148 4.161 -0.013 1
1 193 . 4 1 1 A 23 23 ARG CB C 23 30.777 30.716 0.061 1
1 199 . 4 1 1 A 23 23 ARG C C 23 175.059 175.777 -0.718 1
1 203 . 4 1 1 A 24 24 TRP N N 24 135.582 117.996 17.586 1
1 204 . 4 1 1 A 24 24 TRP H H 24 7.265 8.032 -0.767 1
1 205 . 4 1 1 A 24 24 TRP CA C 24 55.009 56.995 -1.986 1
1 206 . 4 1 1 A 24 24 TRP HA H 24 5.251 5.084 0.167 1
1 207 . 4 1 1 A 24 24 TRP CB C 24 32.664 32.099 0.565 1
1 221 . 4 1 1 A 24 24 TRP C C 24 176.478 176.074 0.404 1
1 223 . 4 1 1 A 25 25 ALA N N 25 127.796 124.174 3.622 1
1 224 . 4 1 1 A 25 25 ALA H H 25 8.590 8.751 -0.161 1
1 225 . 4 1 1 A 25 25 ALA CA C 25 55.039 54.593 0.446 1
1 226 . 4 1 1 A 25 25 ALA HA H 25 3.100 3.138 -0.038 1
1 227 . 4 1 1 A 25 25 ALA CB C 25 17.676 18.547 -0.871 1
1 231 . 4 1 1 A 26 26 SER CA C 26 61.568 61.183 0.385 1
1 232 . 4 1 1 A 26 26 SER HA H 26 3.889 4.232 -0.343 1
1 233 . 4 1 1 A 26 26 SER CB C 26 60.859 62.523 -1.664 1
1 235 . 4 1 1 A 26 26 SER C C 26 177.407 176.726 0.681 1
1 237 . 4 1 1 A 27 27 CYS N N 27 122.821 120.618 2.203 1
1 238 . 4 1 1 A 27 27 CYS H H 27 7.093 8.018 -0.925 1
1 239 . 4 1 1 A 27 27 CYS CA C 27 62.747 62.188 0.559 1
1 240 . 4 1 1 A 27 27 CYS HA H 27 4.000 4.133 -0.133 1
1 241 . 4 1 1 A 27 27 CYS CB C 27 28.498 27.343 1.155 1
1 242 . 4 1 1 A 27 27 CYS C C 27 178.084 177.016 1.068 1
1 244 . 4 1 1 A 28 28 LEU N N 28 121.440 121.788 -0.348 1
1 245 . 4 1 1 A 28 28 LEU H H 28 6.965 7.790 -0.825 1
1 246 . 4 1 1 A 28 28 LEU CA C 28 57.672 56.921 0.751 1
1 247 . 4 1 1 A 28 28 LEU HA H 28 3.210 2.547 0.663 1
1 248 . 4 1 1 A 28 28 LEU CB C 28 40.463 41.513 -1.050 1
1 260 . 4 1 1 A 28 28 LEU C C 28 177.411 177.806 -0.395 1
1 262 . 4 1 1 A 29 29 LEU N N 29 119.582 119.827 -0.245 1
1 263 . 4 1 1 A 29 29 LEU H H 29 7.918 7.794 0.124 1
1 264 . 4 1 1 A 29 29 LEU CA C 29 58.172 58.457 -0.285 1
1 265 . 4 1 1 A 29 29 LEU HA H 29 4.085 3.931 0.154 1
1 266 . 4 1 1 A 29 29 LEU CB C 29 41.634 41.510 0.124 1
1 278 . 4 1 1 A 29 29 LEU C C 29 179.868 178.519 1.349 1
1 280 . 4 1 1 A 30 30 LYS N N 30 117.949 118.289 -0.340 1
1 281 . 4 1 1 A 30 30 LYS H H 30 7.494 7.788 -0.294 1
1 282 . 4 1 1 A 30 30 LYS CA C 30 59.428 58.169 1.259 1
1 283 . 4 1 1 A 30 30 LYS HA H 30 3.947 4.021 -0.074 1
1 284 . 4 1 1 A 30 30 LYS CB C 30 32.538 32.096 0.442 1
1 292 . 4 1 1 A 30 30 LYS C C 30 179.147 178.676 0.471 1
1 297 . 4 1 1 A 31 31 HIS N N 31 118.910 120.812 -1.902 1
1 298 . 4 1 1 A 31 31 HIS H H 31 7.688 8.044 -0.356 1
1 299 . 4 1 1 A 31 31 HIS CA C 31 58.850 59.568 -0.718 1
1 300 . 4 1 1 A 31 31 HIS HA H 31 4.237 4.200 0.037 1
1 301 . 4 1 1 A 31 31 HIS CB C 31 28.584 29.461 -0.877 1
1 307 . 4 1 1 A 31 31 HIS C C 31 176.001 177.605 -1.604 1
1 309 . 4 1 1 A 32 32 GLN N N 32 115.428 118.091 -2.663 1
1 310 . 4 1 1 A 32 32 GLN H H 32 8.230 7.998 0.232 1
1 311 . 4 1 1 A 32 32 GLN CA C 32 59.190 58.988 0.202 1
1 312 . 4 1 1 A 32 32 GLN HA H 32 3.706 3.854 -0.148 1
1 313 . 4 1 1 A 32 32 GLN CB C 32 28.135 28.205 -0.070 1
1 320 . 4 1 1 A 32 32 GLN C C 32 177.623 178.668 -1.045 1
1 323 . 4 1 1 A 33 33 ARG N N 33 118.204 120.138 -1.934 1
1 324 . 4 1 1 A 33 33 ARG H H 33 7.197 7.986 -0.789 1
1 325 . 4 1 1 A 33 33 ARG CA C 33 58.506 59.122 -0.616 1
1 326 . 4 1 1 A 33 33 ARG HA H 33 4.134 4.076 0.058 1
1 327 . 4 1 1 A 33 33 ARG CB C 33 29.842 29.946 -0.104 1
1 333 . 4 1 1 A 33 33 ARG C C 33 178.649 179.067 -0.418 1
1 337 . 4 1 1 A 34 34 VAL N N 34 116.486 116.725 -0.239 1
1 338 . 4 1 1 A 34 34 VAL H H 34 7.902 7.705 0.197 1
1 339 . 4 1 1 A 34 34 VAL CA C 34 64.123 65.070 -0.947 1
1 340 . 4 1 1 A 34 34 VAL HA H 34 3.905 3.741 0.164 1
1 341 . 4 1 1 A 34 34 VAL CB C 34 31.069 31.055 0.014 1
1 351 . 4 1 1 A 34 34 VAL C C 34 177.281 176.407 0.874 1
1 352 . 4 1 1 A 35 35 HIS N N 35 117.033 119.552 -2.519 1
1 353 . 4 1 1 A 35 35 HIS H H 35 7.126 7.417 -0.291 1
1 354 . 4 1 1 A 35 35 HIS CA C 35 54.996 55.593 -0.597 1
1 355 . 4 1 1 A 35 35 HIS HA H 35 4.875 4.607 0.268 1
1 356 . 4 1 1 A 35 35 HIS CB C 35 28.704 29.767 -1.063 1
1 362 . 4 1 1 A 35 35 HIS C C 35 175.499 173.902 1.597 1
1 364 . 4 1 1 A 36 36 SER N N 36 114.731 111.602 3.129 1
1 365 . 4 1 1 A 36 36 SER H H 36 7.792 7.925 -0.133 1
1 366 . 4 1 1 A 36 36 SER CA C 36 59.098 59.219 -0.121 1
1 367 . 4 1 1 A 36 36 SER HA H 36 4.463 4.129 0.334 1
1 368 . 4 1 1 A 36 36 SER CB C 36 64.002 61.524 2.478 1
1 370 . 4 1 1 A 36 36 SER C C 36 175.139 174.911 0.228 1
1 372 . 4 1 1 A 37 37 GLY N N 37 110.777 108.127 2.650 1
1 373 . 4 1 1 A 37 37 GLY H H 37 8.316 7.470 0.846 1
1 374 . 4 1 1 A 37 37 GLY CA C 37 45.362 47.299 -1.937 1
1 375 . 4 1 1 A 37 37 GLY HA3 H 37 4.002 3.863 0.139 1
1 376 . 4 1 1 A 37 37 GLY C C 37 174.036 175.010 -0.974 1
1 377 . 4 1 1 A 37 37 GLY HA2 H 37 4.002 3.855 0.147 1
1 378 . 4 1 1 A 38 38 GLU N N 38 120.515 117.729 2.786 1
1 379 . 4 1 1 A 38 38 GLU H H 38 8.100 7.880 0.220 1
1 380 . 4 1 1 A 38 38 GLU CA C 38 56.424 56.435 -0.011 1
1 381 . 4 1 1 A 38 38 GLU HA H 38 4.269 4.389 -0.120 1
1 382 . 4 1 1 A 38 38 GLU CB C 38 30.494 30.070 0.424 1
1 386 . 4 1 1 A 38 38 GLU C C 38 176.249 176.186 0.063 1
1 389 . 4 1 1 A 39 39 LYS N N 39 123.799 121.823 1.976 1
1 390 . 4 1 1 A 39 39 LYS H H 39 8.409 8.363 0.046 1
1 391 . 4 1 1 A 39 39 LYS CA C 39 54.163 52.935 1.228 1
1 392 . 4 1 1 A 39 39 LYS HA H 39 4.622 4.807 -0.185 1
1 393 . 4 1 1 A 39 39 LYS CB C 39 32.492 34.107 -1.615 1
1 405 . 4 1 1 A 40 40 PRO CA C 40 63.257 63.587 -0.330 1
1 406 . 4 1 1 A 40 40 PRO HA H 40 4.475 4.452 0.023 1
1 407 . 4 1 1 A 40 40 PRO CB C 40 32.139 32.057 0.082 1
1 416 . 4 1 1 A 45 45 SER CA C 45 58.385 57.564 0.821 1
1 417 . 4 1 1 A 45 45 SER HA H 45 4.458 4.667 -0.209 1
1 418 . 4 1 1 A 45 45 SER CB C 45 64.084 63.449 0.635 1
1 420 . 4 1 1 A 45 45 SER C C 45 173.896 174.410 -0.514 1
1 1 . 5 1 1 A 6 6 SER CA C 6 58.575 57.581 0.994 1
1 2 . 5 1 1 A 6 6 SER HA H 6 4.453 5.039 -0.586 1
1 3 . 5 1 1 A 6 6 SER CB C 6 63.817 65.808 -1.991 1
1 5 . 5 1 1 A 6 6 SER C C 6 175.107 172.906 2.201 1
1 7 . 5 1 1 A 7 7 GLY N N 7 110.865 108.720 2.145 1
1 8 . 5 1 1 A 7 7 GLY H H 7 8.455 8.482 -0.027 1
1 9 . 5 1 1 A 7 7 GLY CA C 7 45.447 45.196 0.251 1
1 10 . 5 1 1 A 7 7 GLY HA3 H 7 4.006 4.171 -0.165 1
1 11 . 5 1 1 A 7 7 GLY C C 7 174.454 172.516 1.938 1
1 12 . 5 1 1 A 7 7 GLY HA2 H 7 4.006 4.166 -0.160 1
1 13 . 5 1 1 A 8 8 THR N N 8 112.847 115.031 -2.184 1
1 14 . 5 1 1 A 8 8 THR H H 8 8.139 8.400 -0.261 1
1 15 . 5 1 1 A 8 8 THR CA C 8 61.905 60.410 1.495 1
1 16 . 5 1 1 A 8 8 THR HA H 8 4.353 5.090 -0.737 1
1 17 . 5 1 1 A 8 8 THR CB C 8 69.843 70.264 -0.421 1
1 23 . 5 1 1 A 8 8 THR C C 8 175.228 174.077 1.151 1
1 24 . 5 1 1 A 9 9 GLY N N 9 110.821 113.877 -3.056 1
1 25 . 5 1 1 A 9 9 GLY H H 9 8.421 8.306 0.115 1
1 26 . 5 1 1 A 9 9 GLY CA C 9 45.254 44.636 0.618 1
1 27 . 5 1 1 A 9 9 GLY HA3 H 9 3.949 4.160 -0.211 1
1 28 . 5 1 1 A 9 9 GLY C C 9 174.011 172.880 1.131 1
1 29 . 5 1 1 A 9 9 GLY HA2 H 9 3.892 4.156 -0.264 1
1 30 . 5 1 1 A 10 10 GLU N N 10 120.237 123.233 -2.996 1
1 31 . 5 1 1 A 10 10 GLU H H 10 8.182 8.566 -0.384 1
1 32 . 5 1 1 A 10 10 GLU CA C 10 56.937 56.607 0.330 1
1 33 . 5 1 1 A 10 10 GLU HA H 10 4.144 4.253 -0.109 1
1 34 . 5 1 1 A 10 10 GLU CB C 10 30.378 30.318 0.060 1
1 38 . 5 1 1 A 10 10 GLU C C 10 176.184 176.271 -0.087 1
1 41 . 5 1 1 A 11 11 LYS N N 11 121.342 125.890 -4.548 1
1 42 . 5 1 1 A 11 11 LYS H H 11 8.229 8.960 -0.731 1
1 43 . 5 1 1 A 11 11 LYS CA C 11 53.834 53.399 0.435 1
1 44 . 5 1 1 A 11 11 LYS HA H 11 4.484 4.591 -0.107 1
1 45 . 5 1 1 A 11 11 LYS CB C 11 32.967 32.124 0.843 1
1 57 . 5 1 1 A 12 12 PRO CA C 12 63.387 64.704 -1.317 1
1 58 . 5 1 1 A 12 12 PRO HA H 12 4.316 4.297 0.019 1
1 59 . 5 1 1 A 12 12 PRO CB C 12 32.242 31.917 0.325 1
1 65 . 5 1 1 A 12 12 PRO C C 12 176.139 175.777 0.362 1
1 69 . 5 1 1 A 13 13 TYR N N 13 118.364 118.310 0.054 1
1 70 . 5 1 1 A 13 13 TYR H H 13 7.941 7.221 0.720 1
1 71 . 5 1 1 A 13 13 TYR CA C 13 57.734 57.475 0.259 1
1 72 . 5 1 1 A 13 13 TYR HA H 13 4.583 5.112 -0.529 1
1 73 . 5 1 1 A 13 13 TYR CB C 13 38.810 41.052 -2.242 1
1 83 . 5 1 1 A 13 13 TYR C C 13 174.591 174.733 -0.142 1
1 85 . 5 1 1 A 14 14 ASN N N 14 121.715 119.826 1.889 1
1 86 . 5 1 1 A 14 14 ASN H H 14 8.714 9.094 -0.380 1
1 87 . 5 1 1 A 14 14 ASN CA C 14 52.503 52.632 -0.129 1
1 88 . 5 1 1 A 14 14 ASN HA H 14 5.345 5.315 0.030 1
1 89 . 5 1 1 A 14 14 ASN CB C 14 41.570 42.741 -1.171 1
1 94 . 5 1 1 A 14 14 ASN C C 14 173.463 173.155 0.308 1
1 96 . 5 1 1 A 15 15 CYS N N 15 124.857 124.079 0.778 1
1 97 . 5 1 1 A 15 15 CYS H H 15 9.202 8.928 0.274 1
1 98 . 5 1 1 A 15 15 CYS CA C 15 59.089 58.103 0.986 1
1 99 . 5 1 1 A 15 15 CYS HA H 15 4.627 4.672 -0.045 1
1 100 . 5 1 1 A 15 15 CYS CB C 15 29.702 27.769 1.933 1
1 102 . 5 1 1 A 15 15 CYS C C 15 177.005 175.814 1.191 1
1 104 . 5 1 1 A 16 16 LYS N N 16 131.671 126.022 5.649 1
1 105 . 5 1 1 A 16 16 LYS H H 16 9.303 8.571 0.732 1
1 106 . 5 1 1 A 16 16 LYS CA C 16 58.569 59.181 -0.612 1
1 107 . 5 1 1 A 16 16 LYS HA H 16 4.162 4.057 0.105 1
1 108 . 5 1 1 A 16 16 LYS CB C 16 32.192 32.101 0.091 1
1 116 . 5 1 1 A 16 16 LYS C C 16 177.048 178.321 -1.273 1
1 121 . 5 1 1 A 17 17 GLU N N 17 119.887 118.816 1.071 1
1 122 . 5 1 1 A 17 17 GLU H H 17 8.581 8.481 0.100 1
1 123 . 5 1 1 A 17 17 GLU CA C 17 58.433 58.926 -0.493 1
1 124 . 5 1 1 A 17 17 GLU HA H 17 4.186 3.926 0.260 1
1 125 . 5 1 1 A 17 17 GLU CB C 17 29.328 28.505 0.823 1
1 129 . 5 1 1 A 17 17 GLU C C 17 177.219 178.030 -0.811 1
1 132 . 5 1 1 A 18 18 CYS N N 18 114.441 114.708 -0.267 1
1 133 . 5 1 1 A 18 18 CYS H H 18 7.918 7.842 0.076 1
1 134 . 5 1 1 A 18 18 CYS CA C 18 58.398 59.605 -1.207 1
1 135 . 5 1 1 A 18 18 CYS HA H 18 5.178 4.635 0.543 1
1 136 . 5 1 1 A 18 18 CYS CB C 18 32.515 29.812 2.703 1
1 138 . 5 1 1 A 18 18 CYS C C 18 176.163 175.305 0.858 1
1 140 . 5 1 1 A 19 19 GLY N N 19 113.399 110.299 3.100 1
1 141 . 5 1 1 A 19 19 GLY H H 19 8.276 8.324 -0.048 1
1 142 . 5 1 1 A 19 19 GLY CA C 19 46.239 45.234 1.005 1
1 143 . 5 1 1 A 19 19 GLY HA3 H 19 4.238 4.050 0.188 1
1 144 . 5 1 1 A 19 19 GLY C C 19 174.108 174.443 -0.335 1
1 145 . 5 1 1 A 19 19 GLY HA2 H 19 3.895 4.045 -0.150 1
1 146 . 5 1 1 A 20 20 LYS N N 20 122.801 119.648 3.153 1
1 147 . 5 1 1 A 20 20 LYS H H 20 7.927 7.847 0.080 1
1 148 . 5 1 1 A 20 20 LYS CA C 20 58.073 55.506 2.567 1
1 149 . 5 1 1 A 20 20 LYS HA H 20 4.028 4.491 -0.463 1
1 150 . 5 1 1 A 20 20 LYS CB C 20 33.995 34.193 -0.198 1
1 158 . 5 1 1 A 20 20 LYS C C 20 174.252 175.101 -0.849 1
1 163 . 5 1 1 A 21 21 SER N N 21 115.354 112.014 3.340 1
1 164 . 5 1 1 A 21 21 SER H H 21 7.753 8.361 -0.608 1
1 165 . 5 1 1 A 21 21 SER CA C 21 56.907 56.071 0.836 1
1 166 . 5 1 1 A 21 21 SER HA H 21 5.264 5.298 -0.034 1
1 167 . 5 1 1 A 21 21 SER CB C 21 65.905 66.441 -0.536 1
1 169 . 5 1 1 A 21 21 SER C C 21 173.109 172.914 0.195 1
1 171 . 5 1 1 A 22 22 PHE N N 22 118.558 118.104 0.454 1
1 172 . 5 1 1 A 22 22 PHE H H 22 8.756 8.520 0.236 1
1 173 . 5 1 1 A 22 22 PHE CA C 22 57.139 56.442 0.697 1
1 174 . 5 1 1 A 22 22 PHE HA H 22 4.743 4.961 -0.218 1
1 175 . 5 1 1 A 22 22 PHE CB C 22 43.854 43.461 0.393 1
1 187 . 5 1 1 A 22 22 PHE C C 22 174.812 175.782 -0.970 1
1 189 . 5 1 1 A 23 23 ARG N N 23 121.492 121.202 0.290 1
1 190 . 5 1 1 A 23 23 ARG H H 23 9.062 9.060 0.002 1
1 191 . 5 1 1 A 23 23 ARG CA C 23 58.297 58.019 0.278 1
1 192 . 5 1 1 A 23 23 ARG HA H 23 4.148 4.302 -0.154 1
1 193 . 5 1 1 A 23 23 ARG CB C 23 30.777 30.724 0.053 1
1 199 . 5 1 1 A 23 23 ARG C C 23 175.059 176.324 -1.265 1
1 203 . 5 1 1 A 24 24 TRP N N 24 135.582 117.826 17.756 1
1 204 . 5 1 1 A 24 24 TRP H H 24 7.265 7.965 -0.700 1
1 205 . 5 1 1 A 24 24 TRP CA C 24 55.009 56.811 -1.802 1
1 206 . 5 1 1 A 24 24 TRP HA H 24 5.251 5.060 0.191 1
1 207 . 5 1 1 A 24 24 TRP CB C 24 32.664 31.942 0.722 1
1 221 . 5 1 1 A 24 24 TRP C C 24 176.478 175.831 0.647 1
1 223 . 5 1 1 A 25 25 ALA N N 25 127.796 123.682 4.114 1
1 224 . 5 1 1 A 25 25 ALA H H 25 8.590 8.768 -0.178 1
1 225 . 5 1 1 A 25 25 ALA CA C 25 55.039 54.823 0.216 1
1 226 . 5 1 1 A 25 25 ALA HA H 25 3.100 2.960 0.140 1
1 227 . 5 1 1 A 25 25 ALA CB C 25 17.676 18.546 -0.870 1
1 231 . 5 1 1 A 26 26 SER CA C 26 61.568 61.214 0.354 1
1 232 . 5 1 1 A 26 26 SER HA H 26 3.889 4.062 -0.173 1
1 233 . 5 1 1 A 26 26 SER CB C 26 60.859 62.484 -1.625 1
1 235 . 5 1 1 A 26 26 SER C C 26 177.407 176.453 0.954 1
1 237 . 5 1 1 A 27 27 CYS N N 27 122.821 119.394 3.427 1
1 238 . 5 1 1 A 27 27 CYS H H 27 7.093 8.250 -1.157 1
1 239 . 5 1 1 A 27 27 CYS CA C 27 62.747 63.155 -0.408 1
1 240 . 5 1 1 A 27 27 CYS HA H 27 4.000 3.965 0.035 1
1 241 . 5 1 1 A 27 27 CYS CB C 27 28.498 27.034 1.464 1
1 242 . 5 1 1 A 27 27 CYS C C 27 178.084 176.584 1.500 1
1 244 . 5 1 1 A 28 28 LEU N N 28 121.440 120.967 0.473 1
1 245 . 5 1 1 A 28 28 LEU H H 28 6.965 7.482 -0.517 1
1 246 . 5 1 1 A 28 28 LEU CA C 28 57.672 57.461 0.211 1
1 247 . 5 1 1 A 28 28 LEU HA H 28 3.210 2.532 0.678 1
1 248 . 5 1 1 A 28 28 LEU CB C 28 40.463 41.396 -0.933 1
1 260 . 5 1 1 A 28 28 LEU C C 28 177.411 177.975 -0.564 1
1 262 . 5 1 1 A 29 29 LEU N N 29 119.582 119.606 -0.024 1
1 263 . 5 1 1 A 29 29 LEU H H 29 7.918 7.809 0.109 1
1 264 . 5 1 1 A 29 29 LEU CA C 29 58.172 58.510 -0.338 1
1 265 . 5 1 1 A 29 29 LEU HA H 29 4.085 3.917 0.168 1
1 266 . 5 1 1 A 29 29 LEU CB C 29 41.634 41.572 0.062 1
1 278 . 5 1 1 A 29 29 LEU C C 29 179.868 178.502 1.366 1
1 280 . 5 1 1 A 30 30 LYS N N 30 117.949 117.936 0.013 1
1 281 . 5 1 1 A 30 30 LYS H H 30 7.494 8.293 -0.799 1
1 282 . 5 1 1 A 30 30 LYS CA C 30 59.428 57.984 1.444 1
1 283 . 5 1 1 A 30 30 LYS HA H 30 3.947 4.030 -0.083 1
1 284 . 5 1 1 A 30 30 LYS CB C 30 32.538 32.401 0.137 1
1 292 . 5 1 1 A 30 30 LYS C C 30 179.147 178.225 0.922 1
1 297 . 5 1 1 A 31 31 HIS N N 31 118.910 120.964 -2.054 1
1 298 . 5 1 1 A 31 31 HIS H H 31 7.688 7.699 -0.011 1
1 299 . 5 1 1 A 31 31 HIS CA C 31 58.850 59.189 -0.339 1
1 300 . 5 1 1 A 31 31 HIS HA H 31 4.237 4.249 -0.012 1
1 301 . 5 1 1 A 31 31 HIS CB C 31 28.584 29.991 -1.407 1
1 307 . 5 1 1 A 31 31 HIS C C 31 176.001 177.493 -1.492 1
1 309 . 5 1 1 A 32 32 GLN N N 32 115.428 118.009 -2.581 1
1 310 . 5 1 1 A 32 32 GLN H H 32 8.230 8.432 -0.202 1
1 311 . 5 1 1 A 32 32 GLN CA C 32 59.190 59.041 0.149 1
1 312 . 5 1 1 A 32 32 GLN HA H 32 3.706 3.861 -0.155 1
1 313 . 5 1 1 A 32 32 GLN CB C 32 28.135 28.255 -0.120 1
1 320 . 5 1 1 A 32 32 GLN C C 32 177.623 178.557 -0.934 1
1 323 . 5 1 1 A 33 33 ARG N N 33 118.204 120.167 -1.963 1
1 324 . 5 1 1 A 33 33 ARG H H 33 7.197 7.633 -0.436 1
1 325 . 5 1 1 A 33 33 ARG CA C 33 58.506 59.132 -0.626 1
1 326 . 5 1 1 A 33 33 ARG HA H 33 4.134 3.963 0.171 1
1 327 . 5 1 1 A 33 33 ARG CB C 33 29.842 29.744 0.098 1
1 333 . 5 1 1 A 33 33 ARG C C 33 178.649 178.729 -0.080 1
1 337 . 5 1 1 A 34 34 VAL N N 34 116.486 116.881 -0.395 1
1 338 . 5 1 1 A 34 34 VAL H H 34 7.902 7.715 0.187 1
1 339 . 5 1 1 A 34 34 VAL CA C 34 64.123 65.282 -1.159 1
1 340 . 5 1 1 A 34 34 VAL HA H 34 3.905 3.673 0.232 1
1 341 . 5 1 1 A 34 34 VAL CB C 34 31.069 31.206 -0.137 1
1 351 . 5 1 1 A 34 34 VAL C C 34 177.281 176.916 0.365 1
1 352 . 5 1 1 A 35 35 HIS N N 35 117.033 120.320 -3.287 1
1 353 . 5 1 1 A 35 35 HIS H H 35 7.126 7.600 -0.474 1
1 354 . 5 1 1 A 35 35 HIS CA C 35 54.996 57.840 -2.844 1
1 355 . 5 1 1 A 35 35 HIS HA H 35 4.875 4.477 0.398 1
1 356 . 5 1 1 A 35 35 HIS CB C 35 28.704 31.129 -2.425 1
1 362 . 5 1 1 A 35 35 HIS C C 35 175.499 175.725 -0.226 1
1 364 . 5 1 1 A 36 36 SER N N 36 114.731 111.237 3.494 1
1 365 . 5 1 1 A 36 36 SER H H 36 7.792 8.277 -0.485 1
1 366 . 5 1 1 A 36 36 SER CA C 36 59.098 56.837 2.261 1
1 367 . 5 1 1 A 36 36 SER HA H 36 4.463 4.659 -0.196 1
1 368 . 5 1 1 A 36 36 SER CB C 36 64.002 64.382 -0.380 1
1 370 . 5 1 1 A 36 36 SER C C 36 175.139 173.158 1.981 1
1 372 . 5 1 1 A 37 37 GLY N N 37 110.777 111.330 -0.553 1
1 373 . 5 1 1 A 37 37 GLY H H 37 8.316 8.670 -0.354 1
1 374 . 5 1 1 A 37 37 GLY CA C 37 45.362 45.051 0.311 1
1 375 . 5 1 1 A 37 37 GLY HA3 H 37 4.002 4.154 -0.152 1
1 376 . 5 1 1 A 37 37 GLY C C 37 174.036 173.725 0.311 1
1 377 . 5 1 1 A 37 37 GLY HA2 H 37 4.002 4.151 -0.149 1
1 378 . 5 1 1 A 38 38 GLU N N 38 120.515 119.559 0.956 1
1 379 . 5 1 1 A 38 38 GLU H H 38 8.100 8.399 -0.299 1
1 380 . 5 1 1 A 38 38 GLU CA C 38 56.424 55.552 0.872 1
1 381 . 5 1 1 A 38 38 GLU HA H 38 4.269 4.542 -0.273 1
1 382 . 5 1 1 A 38 38 GLU CB C 38 30.494 29.206 1.288 1
1 386 . 5 1 1 A 38 38 GLU C C 38 176.249 175.865 0.384 1
1 389 . 5 1 1 A 39 39 LYS N N 39 123.799 120.481 3.318 1
1 390 . 5 1 1 A 39 39 LYS H H 39 8.409 7.582 0.827 1
1 391 . 5 1 1 A 39 39 LYS CA C 39 54.163 52.793 1.370 1
1 392 . 5 1 1 A 39 39 LYS HA H 39 4.622 4.828 -0.206 1
1 393 . 5 1 1 A 39 39 LYS CB C 39 32.492 33.877 -1.385 1
1 405 . 5 1 1 A 40 40 PRO CA C 40 63.257 62.606 0.651 1
1 406 . 5 1 1 A 40 40 PRO HA H 40 4.475 4.616 -0.141 1
1 407 . 5 1 1 A 40 40 PRO CB C 40 32.139 31.582 0.557 1
1 416 . 5 1 1 A 45 45 SER CA C 45 58.385 57.197 1.188 1
1 417 . 5 1 1 A 45 45 SER HA H 45 4.458 4.982 -0.524 1
1 418 . 5 1 1 A 45 45 SER CB C 45 64.084 66.748 -2.664 1
1 420 . 5 1 1 A 45 45 SER C C 45 173.896 173.799 0.097 1
1 1 . 6 1 1 A 6 6 SER CA C 6 58.575 58.695 -0.120 1
1 2 . 6 1 1 A 6 6 SER HA H 6 4.453 4.594 -0.141 1
1 3 . 6 1 1 A 6 6 SER CB C 6 63.817 63.872 -0.055 1
1 5 . 6 1 1 A 6 6 SER C C 6 175.107 174.876 0.231 1
1 7 . 6 1 1 A 7 7 GLY N N 7 110.865 115.099 -4.234 1
1 8 . 6 1 1 A 7 7 GLY H H 7 8.455 8.868 -0.413 1
1 9 . 6 1 1 A 7 7 GLY CA C 7 45.447 46.937 -1.490 1
1 10 . 6 1 1 A 7 7 GLY HA3 H 7 4.006 3.933 0.073 1
1 11 . 6 1 1 A 7 7 GLY C C 7 174.454 174.440 0.014 1
1 12 . 6 1 1 A 7 7 GLY HA2 H 7 4.006 3.931 0.075 1
1 13 . 6 1 1 A 8 8 THR N N 8 112.847 114.589 -1.742 1
1 14 . 6 1 1 A 8 8 THR H H 8 8.139 7.911 0.228 1
1 15 . 6 1 1 A 8 8 THR CA C 8 61.905 62.852 -0.947 1
1 16 . 6 1 1 A 8 8 THR HA H 8 4.353 4.585 -0.232 1
1 17 . 6 1 1 A 8 8 THR CB C 8 69.843 71.513 -1.670 1
1 23 . 6 1 1 A 8 8 THR C C 8 175.228 174.343 0.885 1
1 24 . 6 1 1 A 9 9 GLY N N 9 110.821 108.327 2.494 1
1 25 . 6 1 1 A 9 9 GLY H H 9 8.421 7.233 1.188 1
1 26 . 6 1 1 A 9 9 GLY CA C 9 45.254 45.614 -0.360 1
1 27 . 6 1 1 A 9 9 GLY HA3 H 9 3.949 4.044 -0.095 1
1 28 . 6 1 1 A 9 9 GLY C C 9 174.011 173.013 0.998 1
1 29 . 6 1 1 A 9 9 GLY HA2 H 9 3.892 4.043 -0.151 1
1 30 . 6 1 1 A 10 10 GLU N N 10 120.237 125.443 -5.206 1
1 31 . 6 1 1 A 10 10 GLU H H 10 8.182 8.983 -0.801 1
1 32 . 6 1 1 A 10 10 GLU CA C 10 56.937 55.852 1.085 1
1 33 . 6 1 1 A 10 10 GLU HA H 10 4.144 4.764 -0.620 1
1 34 . 6 1 1 A 10 10 GLU CB C 10 30.378 30.896 -0.518 1
1 38 . 6 1 1 A 10 10 GLU C C 10 176.184 175.487 0.697 1
1 41 . 6 1 1 A 11 11 LYS N N 11 121.342 126.075 -4.733 1
1 42 . 6 1 1 A 11 11 LYS H H 11 8.229 8.358 -0.129 1
1 43 . 6 1 1 A 11 11 LYS CA C 11 53.834 53.043 0.791 1
1 44 . 6 1 1 A 11 11 LYS HA H 11 4.484 4.822 -0.338 1
1 45 . 6 1 1 A 11 11 LYS CB C 11 32.967 34.306 -1.339 1
1 57 . 6 1 1 A 12 12 PRO CA C 12 63.387 64.678 -1.291 1
1 58 . 6 1 1 A 12 12 PRO HA H 12 4.316 4.288 0.028 1
1 59 . 6 1 1 A 12 12 PRO CB C 12 32.242 31.641 0.601 1
1 65 . 6 1 1 A 12 12 PRO C C 12 176.139 175.869 0.270 1
1 69 . 6 1 1 A 13 13 TYR N N 13 118.364 118.196 0.168 1
1 70 . 6 1 1 A 13 13 TYR H H 13 7.941 7.366 0.575 1
1 71 . 6 1 1 A 13 13 TYR CA C 13 57.734 57.805 -0.071 1
1 72 . 6 1 1 A 13 13 TYR HA H 13 4.583 4.928 -0.345 1
1 73 . 6 1 1 A 13 13 TYR CB C 13 38.810 40.135 -1.325 1
1 83 . 6 1 1 A 13 13 TYR C C 13 174.591 175.380 -0.789 1
1 85 . 6 1 1 A 14 14 ASN N N 14 121.715 118.584 3.131 1
1 86 . 6 1 1 A 14 14 ASN H H 14 8.714 9.275 -0.561 1
1 87 . 6 1 1 A 14 14 ASN CA C 14 52.503 51.767 0.736 1
1 88 . 6 1 1 A 14 14 ASN HA H 14 5.345 5.840 -0.495 1
1 89 . 6 1 1 A 14 14 ASN CB C 14 41.570 41.080 0.490 1
1 94 . 6 1 1 A 14 14 ASN C C 14 173.463 173.699 -0.236 1
1 96 . 6 1 1 A 15 15 CYS N N 15 124.857 124.363 0.494 1
1 97 . 6 1 1 A 15 15 CYS H H 15 9.202 8.912 0.290 1
1 98 . 6 1 1 A 15 15 CYS CA C 15 59.089 59.915 -0.826 1
1 99 . 6 1 1 A 15 15 CYS HA H 15 4.627 4.599 0.028 1
1 100 . 6 1 1 A 15 15 CYS CB C 15 29.702 28.911 0.791 1
1 102 . 6 1 1 A 15 15 CYS C C 15 177.005 176.502 0.503 1
1 104 . 6 1 1 A 16 16 LYS N N 16 131.671 124.563 7.108 1
1 105 . 6 1 1 A 16 16 LYS H H 16 9.303 8.610 0.693 1
1 106 . 6 1 1 A 16 16 LYS CA C 16 58.569 59.174 -0.605 1
1 107 . 6 1 1 A 16 16 LYS HA H 16 4.162 4.097 0.065 1
1 108 . 6 1 1 A 16 16 LYS CB C 16 32.192 32.299 -0.107 1
1 116 . 6 1 1 A 16 16 LYS C C 16 177.048 178.553 -1.505 1
1 121 . 6 1 1 A 17 17 GLU N N 17 119.887 119.160 0.727 1
1 122 . 6 1 1 A 17 17 GLU H H 17 8.581 8.498 0.083 1
1 123 . 6 1 1 A 17 17 GLU CA C 17 58.433 58.985 -0.552 1
1 124 . 6 1 1 A 17 17 GLU HA H 17 4.186 3.913 0.273 1
1 125 . 6 1 1 A 17 17 GLU CB C 17 29.328 28.686 0.642 1
1 129 . 6 1 1 A 17 17 GLU C C 17 177.219 178.098 -0.879 1
1 132 . 6 1 1 A 18 18 CYS N N 18 114.441 114.751 -0.310 1
1 133 . 6 1 1 A 18 18 CYS H H 18 7.918 7.973 -0.055 1
1 134 . 6 1 1 A 18 18 CYS CA C 18 58.398 59.632 -1.234 1
1 135 . 6 1 1 A 18 18 CYS HA H 18 5.178 4.675 0.503 1
1 136 . 6 1 1 A 18 18 CYS CB C 18 32.515 29.773 2.742 1
1 138 . 6 1 1 A 18 18 CYS C C 18 176.163 175.348 0.815 1
1 140 . 6 1 1 A 19 19 GLY N N 19 113.399 110.405 2.994 1
1 141 . 6 1 1 A 19 19 GLY H H 19 8.276 7.832 0.444 1
1 142 . 6 1 1 A 19 19 GLY CA C 19 46.239 45.367 0.872 1
1 143 . 6 1 1 A 19 19 GLY HA3 H 19 4.238 4.062 0.176 1
1 144 . 6 1 1 A 19 19 GLY C C 19 174.108 174.311 -0.203 1
1 145 . 6 1 1 A 19 19 GLY HA2 H 19 3.895 4.054 -0.159 1
1 146 . 6 1 1 A 20 20 LYS N N 20 122.801 119.368 3.433 1
1 147 . 6 1 1 A 20 20 LYS H H 20 7.927 7.950 -0.023 1
1 148 . 6 1 1 A 20 20 LYS CA C 20 58.073 54.891 3.182 1
1 149 . 6 1 1 A 20 20 LYS HA H 20 4.028 4.560 -0.532 1
1 150 . 6 1 1 A 20 20 LYS CB C 20 33.995 34.213 -0.218 1
1 158 . 6 1 1 A 20 20 LYS C C 20 174.252 175.418 -1.166 1
1 163 . 6 1 1 A 21 21 SER N N 21 115.354 115.407 -0.053 1
1 164 . 6 1 1 A 21 21 SER H H 21 7.753 8.314 -0.561 1
1 165 . 6 1 1 A 21 21 SER CA C 21 56.907 56.812 0.095 1
1 166 . 6 1 1 A 21 21 SER HA H 21 5.264 5.379 -0.115 1
1 167 . 6 1 1 A 21 21 SER CB C 21 65.905 66.058 -0.153 1
1 169 . 6 1 1 A 21 21 SER C C 21 173.109 172.340 0.769 1
1 171 . 6 1 1 A 22 22 PHE N N 22 118.558 120.277 -1.719 1
1 172 . 6 1 1 A 22 22 PHE H H 22 8.756 9.151 -0.395 1
1 173 . 6 1 1 A 22 22 PHE CA C 22 57.139 56.422 0.717 1
1 174 . 6 1 1 A 22 22 PHE HA H 22 4.743 5.001 -0.258 1
1 175 . 6 1 1 A 22 22 PHE CB C 22 43.854 43.336 0.518 1
1 187 . 6 1 1 A 22 22 PHE C C 22 174.812 174.611 0.201 1
1 189 . 6 1 1 A 23 23 ARG N N 23 121.492 123.460 -1.968 1
1 190 . 6 1 1 A 23 23 ARG H H 23 9.062 8.900 0.162 1
1 191 . 6 1 1 A 23 23 ARG CA C 23 58.297 55.537 2.760 1
1 192 . 6 1 1 A 23 23 ARG HA H 23 4.148 4.743 -0.595 1
1 193 . 6 1 1 A 23 23 ARG CB C 23 30.777 30.414 0.363 1
1 199 . 6 1 1 A 23 23 ARG C C 23 175.059 174.411 0.648 1
1 203 . 6 1 1 A 24 24 TRP N N 24 135.582 122.655 12.927 1
1 204 . 6 1 1 A 24 24 TRP H H 24 7.265 7.677 -0.412 1
1 205 . 6 1 1 A 24 24 TRP CA C 24 55.009 55.598 -0.589 1
1 206 . 6 1 1 A 24 24 TRP HA H 24 5.251 5.101 0.150 1
1 207 . 6 1 1 A 24 24 TRP CB C 24 32.664 33.603 -0.939 1
1 221 . 6 1 1 A 24 24 TRP C C 24 176.478 174.785 1.693 1
1 223 . 6 1 1 A 25 25 ALA N N 25 127.796 123.556 4.240 1
1 224 . 6 1 1 A 25 25 ALA H H 25 8.590 8.987 -0.397 1
1 225 . 6 1 1 A 25 25 ALA CA C 25 55.039 54.056 0.983 1
1 226 . 6 1 1 A 25 25 ALA HA H 25 3.100 3.434 -0.334 1
1 227 . 6 1 1 A 25 25 ALA CB C 25 17.676 19.158 -1.482 1
1 231 . 6 1 1 A 26 26 SER CA C 26 61.568 61.502 0.066 1
1 232 . 6 1 1 A 26 26 SER HA H 26 3.889 4.098 -0.209 1
1 233 . 6 1 1 A 26 26 SER CB C 26 60.859 62.445 -1.586 1
1 235 . 6 1 1 A 26 26 SER C C 26 177.407 176.232 1.175 1
1 237 . 6 1 1 A 27 27 CYS N N 27 122.821 120.290 2.531 1
1 238 . 6 1 1 A 27 27 CYS H H 27 7.093 8.031 -0.938 1
1 239 . 6 1 1 A 27 27 CYS CA C 27 62.747 62.474 0.273 1
1 240 . 6 1 1 A 27 27 CYS HA H 27 4.000 3.852 0.148 1
1 241 . 6 1 1 A 27 27 CYS CB C 27 28.498 26.759 1.739 1
1 242 . 6 1 1 A 27 27 CYS C C 27 178.084 176.912 1.172 1
1 244 . 6 1 1 A 28 28 LEU N N 28 121.440 121.579 -0.139 1
1 245 . 6 1 1 A 28 28 LEU H H 28 6.965 7.759 -0.794 1
1 246 . 6 1 1 A 28 28 LEU CA C 28 57.672 57.312 0.360 1
1 247 . 6 1 1 A 28 28 LEU HA H 28 3.210 2.629 0.581 1
1 248 . 6 1 1 A 28 28 LEU CB C 28 40.463 41.274 -0.811 1
1 260 . 6 1 1 A 28 28 LEU C C 28 177.411 178.228 -0.817 1
1 262 . 6 1 1 A 29 29 LEU N N 29 119.582 118.678 0.904 1
1 263 . 6 1 1 A 29 29 LEU H H 29 7.918 7.827 0.091 1
1 264 . 6 1 1 A 29 29 LEU CA C 29 58.172 57.986 0.186 1
1 265 . 6 1 1 A 29 29 LEU HA H 29 4.085 3.772 0.313 1
1 266 . 6 1 1 A 29 29 LEU CB C 29 41.634 41.774 -0.140 1
1 278 . 6 1 1 A 29 29 LEU C C 29 179.868 178.756 1.112 1
1 280 . 6 1 1 A 30 30 LYS N N 30 117.949 118.748 -0.799 1
1 281 . 6 1 1 A 30 30 LYS H H 30 7.494 8.180 -0.686 1
1 282 . 6 1 1 A 30 30 LYS CA C 30 59.428 59.417 0.011 1
1 283 . 6 1 1 A 30 30 LYS HA H 30 3.947 3.900 0.047 1
1 284 . 6 1 1 A 30 30 LYS CB C 30 32.538 32.183 0.355 1
1 292 . 6 1 1 A 30 30 LYS C C 30 179.147 178.662 0.485 1
1 297 . 6 1 1 A 31 31 HIS N N 31 118.910 119.441 -0.531 1
1 298 . 6 1 1 A 31 31 HIS H H 31 7.688 7.494 0.194 1
1 299 . 6 1 1 A 31 31 HIS CA C 31 58.850 59.530 -0.680 1
1 300 . 6 1 1 A 31 31 HIS HA H 31 4.237 4.209 0.028 1
1 301 . 6 1 1 A 31 31 HIS CB C 31 28.584 30.003 -1.419 1
1 307 . 6 1 1 A 31 31 HIS C C 31 176.001 177.415 -1.414 1
1 309 . 6 1 1 A 32 32 GLN N N 32 115.428 117.620 -2.192 1
1 310 . 6 1 1 A 32 32 GLN H H 32 8.230 8.220 0.010 1
1 311 . 6 1 1 A 32 32 GLN CA C 32 59.190 58.944 0.246 1
1 312 . 6 1 1 A 32 32 GLN HA H 32 3.706 3.819 -0.113 1
1 313 . 6 1 1 A 32 32 GLN CB C 32 28.135 28.259 -0.124 1
1 320 . 6 1 1 A 32 32 GLN C C 32 177.623 178.530 -0.907 1
1 323 . 6 1 1 A 33 33 ARG N N 33 118.204 120.460 -2.256 1
1 324 . 6 1 1 A 33 33 ARG H H 33 7.197 7.994 -0.797 1
1 325 . 6 1 1 A 33 33 ARG CA C 33 58.506 59.051 -0.545 1
1 326 . 6 1 1 A 33 33 ARG HA H 33 4.134 4.011 0.123 1
1 327 . 6 1 1 A 33 33 ARG CB C 33 29.842 29.766 0.076 1
1 333 . 6 1 1 A 33 33 ARG C C 33 178.649 179.018 -0.369 1
1 337 . 6 1 1 A 34 34 VAL N N 34 116.486 117.237 -0.751 1
1 338 . 6 1 1 A 34 34 VAL H H 34 7.902 7.852 0.050 1
1 339 . 6 1 1 A 34 34 VAL CA C 34 64.123 65.229 -1.106 1
1 340 . 6 1 1 A 34 34 VAL HA H 34 3.905 3.714 0.191 1
1 341 . 6 1 1 A 34 34 VAL CB C 34 31.069 31.180 -0.111 1
1 351 . 6 1 1 A 34 34 VAL C C 34 177.281 176.753 0.528 1
1 352 . 6 1 1 A 35 35 HIS N N 35 117.033 120.034 -3.001 1
1 353 . 6 1 1 A 35 35 HIS H H 35 7.126 7.433 -0.307 1
1 354 . 6 1 1 A 35 35 HIS CA C 35 54.996 57.230 -2.234 1
1 355 . 6 1 1 A 35 35 HIS HA H 35 4.875 4.527 0.348 1
1 356 . 6 1 1 A 35 35 HIS CB C 35 28.704 30.752 -2.048 1
1 362 . 6 1 1 A 35 35 HIS C C 35 175.499 175.479 0.020 1
1 364 . 6 1 1 A 36 36 SER N N 36 114.731 114.335 0.396 1
1 365 . 6 1 1 A 36 36 SER H H 36 7.792 8.355 -0.563 1
1 366 . 6 1 1 A 36 36 SER CA C 36 59.098 56.598 2.500 1
1 367 . 6 1 1 A 36 36 SER HA H 36 4.463 4.752 -0.289 1
1 368 . 6 1 1 A 36 36 SER CB C 36 64.002 65.382 -1.380 1
1 370 . 6 1 1 A 36 36 SER C C 36 175.139 174.104 1.035 1
1 372 . 6 1 1 A 37 37 GLY N N 37 110.777 114.481 -3.704 1
1 373 . 6 1 1 A 37 37 GLY H H 37 8.316 8.607 -0.291 1
1 374 . 6 1 1 A 37 37 GLY CA C 37 45.362 45.636 -0.274 1
1 375 . 6 1 1 A 37 37 GLY HA3 H 37 4.002 3.876 0.126 1
1 376 . 6 1 1 A 37 37 GLY C C 37 174.036 173.339 0.697 1
1 377 . 6 1 1 A 37 37 GLY HA2 H 37 4.002 3.871 0.131 1
1 378 . 6 1 1 A 38 38 GLU N N 38 120.515 119.476 1.039 1
1 379 . 6 1 1 A 38 38 GLU H H 38 8.100 7.954 0.146 1
1 380 . 6 1 1 A 38 38 GLU CA C 38 56.424 54.484 1.940 1
1 381 . 6 1 1 A 38 38 GLU HA H 38 4.269 4.926 -0.657 1
1 382 . 6 1 1 A 38 38 GLU CB C 38 30.494 33.607 -3.113 1
1 386 . 6 1 1 A 38 38 GLU C C 38 176.249 174.895 1.354 1
1 389 . 6 1 1 A 39 39 LYS N N 39 123.799 119.480 4.319 1
1 390 . 6 1 1 A 39 39 LYS H H 39 8.409 8.479 -0.070 1
1 391 . 6 1 1 A 39 39 LYS CA C 39 54.163 52.994 1.169 1
1 392 . 6 1 1 A 39 39 LYS HA H 39 4.622 4.822 -0.200 1
1 393 . 6 1 1 A 39 39 LYS CB C 39 32.492 34.359 -1.867 1
1 405 . 6 1 1 A 40 40 PRO CA C 40 63.257 63.395 -0.138 1
1 406 . 6 1 1 A 40 40 PRO HA H 40 4.475 4.482 -0.007 1
1 407 . 6 1 1 A 40 40 PRO CB C 40 32.139 32.085 0.054 1
1 416 . 6 1 1 A 45 45 SER CA C 45 58.385 57.630 0.755 1
1 417 . 6 1 1 A 45 45 SER HA H 45 4.458 4.803 -0.345 1
1 418 . 6 1 1 A 45 45 SER CB C 45 64.084 65.658 -1.574 1
1 420 . 6 1 1 A 45 45 SER C C 45 173.896 172.722 1.174 1
1 1 . 7 1 1 A 6 6 SER CA C 6 58.575 56.036 2.539 1
1 2 . 7 1 1 A 6 6 SER HA H 6 4.453 5.054 -0.601 1
1 3 . 7 1 1 A 6 6 SER CB C 6 63.817 65.847 -2.030 1
1 5 . 7 1 1 A 6 6 SER C C 6 175.107 174.420 0.687 1
1 7 . 7 1 1 A 7 7 GLY N N 7 110.865 112.412 -1.547 1
1 8 . 7 1 1 A 7 7 GLY H H 7 8.455 8.762 -0.307 1
1 9 . 7 1 1 A 7 7 GLY CA C 7 45.447 46.803 -1.356 1
1 10 . 7 1 1 A 7 7 GLY HA3 H 7 4.006 3.976 0.030 1
1 11 . 7 1 1 A 7 7 GLY C C 7 174.454 175.198 -0.744 1
1 12 . 7 1 1 A 7 7 GLY HA2 H 7 4.006 3.975 0.031 1
1 13 . 7 1 1 A 8 8 THR N N 8 112.847 111.877 0.970 1
1 14 . 7 1 1 A 8 8 THR H H 8 8.139 8.098 0.041 1
1 15 . 7 1 1 A 8 8 THR CA C 8 61.905 65.879 -3.974 1
1 16 . 7 1 1 A 8 8 THR HA H 8 4.353 3.958 0.395 1
1 17 . 7 1 1 A 8 8 THR CB C 8 69.843 69.421 0.422 1
1 23 . 7 1 1 A 8 8 THR C C 8 175.228 175.270 -0.042 1
1 24 . 7 1 1 A 9 9 GLY N N 9 110.821 108.584 2.237 1
1 25 . 7 1 1 A 9 9 GLY H H 9 8.421 7.984 0.437 1
1 26 . 7 1 1 A 9 9 GLY CA C 9 45.254 46.628 -1.374 1
1 27 . 7 1 1 A 9 9 GLY HA3 H 9 3.949 3.910 0.039 1
1 28 . 7 1 1 A 9 9 GLY C C 9 174.011 174.672 -0.661 1
1 29 . 7 1 1 A 9 9 GLY HA2 H 9 3.892 3.908 -0.016 1
1 30 . 7 1 1 A 10 10 GLU N N 10 120.237 119.645 0.592 1
1 31 . 7 1 1 A 10 10 GLU H H 10 8.182 8.167 0.015 1
1 32 . 7 1 1 A 10 10 GLU CA C 10 56.937 56.746 0.191 1
1 33 . 7 1 1 A 10 10 GLU HA H 10 4.144 4.285 -0.141 1
1 34 . 7 1 1 A 10 10 GLU CB C 10 30.378 30.238 0.140 1
1 38 . 7 1 1 A 10 10 GLU C C 10 176.184 175.731 0.453 1
1 41 . 7 1 1 A 11 11 LYS N N 11 121.342 125.661 -4.319 1
1 42 . 7 1 1 A 11 11 LYS H H 11 8.229 8.687 -0.458 1
1 43 . 7 1 1 A 11 11 LYS CA C 11 53.834 52.833 1.001 1
1 44 . 7 1 1 A 11 11 LYS HA H 11 4.484 4.764 -0.280 1
1 45 . 7 1 1 A 11 11 LYS CB C 11 32.967 33.971 -1.004 1
1 57 . 7 1 1 A 12 12 PRO CA C 12 63.387 64.767 -1.380 1
1 58 . 7 1 1 A 12 12 PRO HA H 12 4.316 4.283 0.033 1
1 59 . 7 1 1 A 12 12 PRO CB C 12 32.242 31.654 0.588 1
1 65 . 7 1 1 A 12 12 PRO C C 12 176.139 175.864 0.275 1
1 69 . 7 1 1 A 13 13 TYR N N 13 118.364 118.212 0.152 1
1 70 . 7 1 1 A 13 13 TYR H H 13 7.941 7.235 0.706 1
1 71 . 7 1 1 A 13 13 TYR CA C 13 57.734 57.704 0.030 1
1 72 . 7 1 1 A 13 13 TYR HA H 13 4.583 4.907 -0.324 1
1 73 . 7 1 1 A 13 13 TYR CB C 13 38.810 40.121 -1.311 1
1 83 . 7 1 1 A 13 13 TYR C C 13 174.591 175.404 -0.813 1
1 85 . 7 1 1 A 14 14 ASN N N 14 121.715 118.013 3.702 1
1 86 . 7 1 1 A 14 14 ASN H H 14 8.714 9.213 -0.499 1
1 87 . 7 1 1 A 14 14 ASN CA C 14 52.503 52.079 0.424 1
1 88 . 7 1 1 A 14 14 ASN HA H 14 5.345 5.887 -0.542 1
1 89 . 7 1 1 A 14 14 ASN CB C 14 41.570 41.092 0.478 1
1 94 . 7 1 1 A 14 14 ASN C C 14 173.463 173.696 -0.233 1
1 96 . 7 1 1 A 15 15 CYS N N 15 124.857 124.531 0.326 1
1 97 . 7 1 1 A 15 15 CYS H H 15 9.202 8.866 0.336 1
1 98 . 7 1 1 A 15 15 CYS CA C 15 59.089 60.259 -1.170 1
1 99 . 7 1 1 A 15 15 CYS HA H 15 4.627 4.494 0.133 1
1 100 . 7 1 1 A 15 15 CYS CB C 15 29.702 28.314 1.388 1
1 102 . 7 1 1 A 15 15 CYS C C 15 177.005 174.740 2.265 1
1 104 . 7 1 1 A 16 16 LYS N N 16 131.671 128.071 3.600 1
1 105 . 7 1 1 A 16 16 LYS H H 16 9.303 8.875 0.428 1
1 106 . 7 1 1 A 16 16 LYS CA C 16 58.569 57.804 0.765 1
1 107 . 7 1 1 A 16 16 LYS HA H 16 4.162 4.325 -0.163 1
1 108 . 7 1 1 A 16 16 LYS CB C 16 32.192 32.260 -0.068 1
1 116 . 7 1 1 A 16 16 LYS C C 16 177.048 178.802 -1.754 1
1 121 . 7 1 1 A 17 17 GLU N N 17 119.887 119.774 0.113 1
1 122 . 7 1 1 A 17 17 GLU H H 17 8.581 8.299 0.282 1
1 123 . 7 1 1 A 17 17 GLU CA C 17 58.433 59.081 -0.648 1
1 124 . 7 1 1 A 17 17 GLU HA H 17 4.186 3.944 0.242 1
1 125 . 7 1 1 A 17 17 GLU CB C 17 29.328 28.757 0.571 1
1 129 . 7 1 1 A 17 17 GLU C C 17 177.219 178.581 -1.362 1
1 132 . 7 1 1 A 18 18 CYS N N 18 114.441 115.179 -0.738 1
1 133 . 7 1 1 A 18 18 CYS H H 18 7.918 7.880 0.038 1
1 134 . 7 1 1 A 18 18 CYS CA C 18 58.398 59.913 -1.515 1
1 135 . 7 1 1 A 18 18 CYS HA H 18 5.178 4.582 0.596 1
1 136 . 7 1 1 A 18 18 CYS CB C 18 32.515 29.433 3.082 1
1 138 . 7 1 1 A 18 18 CYS C C 18 176.163 175.392 0.771 1
1 140 . 7 1 1 A 19 19 GLY N N 19 113.399 110.046 3.353 1
1 141 . 7 1 1 A 19 19 GLY H H 19 8.276 8.159 0.117 1
1 142 . 7 1 1 A 19 19 GLY CA C 19 46.239 45.463 0.776 1
1 143 . 7 1 1 A 19 19 GLY HA3 H 19 4.238 4.099 0.139 1
1 144 . 7 1 1 A 19 19 GLY C C 19 174.108 174.200 -0.092 1
1 145 . 7 1 1 A 19 19 GLY HA2 H 19 3.895 4.087 -0.192 1
1 146 . 7 1 1 A 20 20 LYS N N 20 122.801 119.254 3.547 1
1 147 . 7 1 1 A 20 20 LYS H H 20 7.927 7.906 0.021 1
1 148 . 7 1 1 A 20 20 LYS CA C 20 58.073 54.786 3.287 1
1 149 . 7 1 1 A 20 20 LYS HA H 20 4.028 4.684 -0.656 1
1 150 . 7 1 1 A 20 20 LYS CB C 20 33.995 34.347 -0.352 1
1 158 . 7 1 1 A 20 20 LYS C C 20 174.252 175.303 -1.051 1
1 163 . 7 1 1 A 21 21 SER N N 21 115.354 112.516 2.838 1
1 164 . 7 1 1 A 21 21 SER H H 21 7.753 8.640 -0.887 1
1 165 . 7 1 1 A 21 21 SER CA C 21 56.907 55.665 1.242 1
1 166 . 7 1 1 A 21 21 SER HA H 21 5.264 5.640 -0.376 1
1 167 . 7 1 1 A 21 21 SER CB C 21 65.905 66.688 -0.783 1
1 169 . 7 1 1 A 21 21 SER C C 21 173.109 173.236 -0.127 1
1 171 . 7 1 1 A 22 22 PHE N N 22 118.558 117.884 0.674 1
1 172 . 7 1 1 A 22 22 PHE H H 22 8.756 8.809 -0.053 1
1 173 . 7 1 1 A 22 22 PHE CA C 22 57.139 56.622 0.517 1
1 174 . 7 1 1 A 22 22 PHE HA H 22 4.743 4.867 -0.124 1
1 175 . 7 1 1 A 22 22 PHE CB C 22 43.854 43.065 0.789 1
1 187 . 7 1 1 A 22 22 PHE C C 22 174.812 175.710 -0.898 1
1 189 . 7 1 1 A 23 23 ARG N N 23 121.492 121.992 -0.500 1
1 190 . 7 1 1 A 23 23 ARG H H 23 9.062 8.834 0.228 1
1 191 . 7 1 1 A 23 23 ARG CA C 23 58.297 58.411 -0.114 1
1 192 . 7 1 1 A 23 23 ARG HA H 23 4.148 4.314 -0.166 1
1 193 . 7 1 1 A 23 23 ARG CB C 23 30.777 30.820 -0.043 1
1 199 . 7 1 1 A 23 23 ARG C C 23 175.059 176.516 -1.457 1
1 203 . 7 1 1 A 24 24 TRP N N 24 135.582 118.151 17.431 1
1 204 . 7 1 1 A 24 24 TRP H H 24 7.265 8.059 -0.794 1
1 205 . 7 1 1 A 24 24 TRP CA C 24 55.009 57.031 -2.022 1
1 206 . 7 1 1 A 24 24 TRP HA H 24 5.251 5.050 0.201 1
1 207 . 7 1 1 A 24 24 TRP CB C 24 32.664 31.679 0.985 1
1 221 . 7 1 1 A 24 24 TRP C C 24 176.478 176.391 0.087 1
1 223 . 7 1 1 A 25 25 ALA N N 25 127.796 125.867 1.929 1
1 224 . 7 1 1 A 25 25 ALA H H 25 8.590 8.861 -0.271 1
1 225 . 7 1 1 A 25 25 ALA CA C 25 55.039 55.010 0.029 1
1 226 . 7 1 1 A 25 25 ALA HA H 25 3.100 3.138 -0.038 1
1 227 . 7 1 1 A 25 25 ALA CB C 25 17.676 18.174 -0.498 1
1 231 . 7 1 1 A 26 26 SER CA C 26 61.568 62.348 -0.780 1
1 232 . 7 1 1 A 26 26 SER HA H 26 3.889 4.038 -0.149 1
1 233 . 7 1 1 A 26 26 SER CB C 26 60.859 62.651 -1.792 1
1 235 . 7 1 1 A 26 26 SER C C 26 177.407 175.874 1.533 1
1 237 . 7 1 1 A 27 27 CYS N N 27 122.821 120.742 2.079 1
1 238 . 7 1 1 A 27 27 CYS H H 27 7.093 8.278 -1.185 1
1 239 . 7 1 1 A 27 27 CYS CA C 27 62.747 62.743 0.004 1
1 240 . 7 1 1 A 27 27 CYS HA H 27 4.000 4.034 -0.034 1
1 241 . 7 1 1 A 27 27 CYS CB C 27 28.498 27.240 1.258 1
1 242 . 7 1 1 A 27 27 CYS C C 27 178.084 176.922 1.162 1
1 244 . 7 1 1 A 28 28 LEU N N 28 121.440 121.525 -0.085 1
1 245 . 7 1 1 A 28 28 LEU H H 28 6.965 7.458 -0.493 1
1 246 . 7 1 1 A 28 28 LEU CA C 28 57.672 57.364 0.308 1
1 247 . 7 1 1 A 28 28 LEU HA H 28 3.210 2.335 0.875 1
1 248 . 7 1 1 A 28 28 LEU CB C 28 40.463 40.959 -0.496 1
1 260 . 7 1 1 A 28 28 LEU C C 28 177.411 178.076 -0.665 1
1 262 . 7 1 1 A 29 29 LEU N N 29 119.582 119.643 -0.061 1
1 263 . 7 1 1 A 29 29 LEU H H 29 7.918 7.945 -0.027 1
1 264 . 7 1 1 A 29 29 LEU CA C 29 58.172 58.412 -0.240 1
1 265 . 7 1 1 A 29 29 LEU HA H 29 4.085 3.897 0.188 1
1 266 . 7 1 1 A 29 29 LEU CB C 29 41.634 41.553 0.081 1
1 278 . 7 1 1 A 29 29 LEU C C 29 179.868 178.305 1.563 1
1 280 . 7 1 1 A 30 30 LYS N N 30 117.949 118.355 -0.406 1
1 281 . 7 1 1 A 30 30 LYS H H 30 7.494 7.857 -0.363 1
1 282 . 7 1 1 A 30 30 LYS CA C 30 59.428 59.172 0.256 1
1 283 . 7 1 1 A 30 30 LYS HA H 30 3.947 3.915 0.032 1
1 284 . 7 1 1 A 30 30 LYS CB C 30 32.538 32.195 0.343 1
1 292 . 7 1 1 A 30 30 LYS C C 30 179.147 178.967 0.180 1
1 297 . 7 1 1 A 31 31 HIS N N 31 118.910 119.540 -0.630 1
1 298 . 7 1 1 A 31 31 HIS H H 31 7.688 7.787 -0.099 1
1 299 . 7 1 1 A 31 31 HIS CA C 31 58.850 60.058 -1.208 1
1 300 . 7 1 1 A 31 31 HIS HA H 31 4.237 4.251 -0.014 1
1 301 . 7 1 1 A 31 31 HIS CB C 31 28.584 29.789 -1.205 1
1 307 . 7 1 1 A 31 31 HIS C C 31 176.001 177.040 -1.039 1
1 309 . 7 1 1 A 32 32 GLN N N 32 115.428 117.248 -1.820 1
1 310 . 7 1 1 A 32 32 GLN H H 32 8.230 8.202 0.028 1
1 311 . 7 1 1 A 32 32 GLN CA C 32 59.190 58.872 0.318 1
1 312 . 7 1 1 A 32 32 GLN HA H 32 3.706 3.700 0.006 1
1 313 . 7 1 1 A 32 32 GLN CB C 32 28.135 28.243 -0.108 1
1 320 . 7 1 1 A 32 32 GLN C C 32 177.623 178.626 -1.003 1
1 323 . 7 1 1 A 33 33 ARG N N 33 118.204 120.617 -2.413 1
1 324 . 7 1 1 A 33 33 ARG H H 33 7.197 8.060 -0.863 1
1 325 . 7 1 1 A 33 33 ARG CA C 33 58.506 59.097 -0.591 1
1 326 . 7 1 1 A 33 33 ARG HA H 33 4.134 3.935 0.199 1
1 327 . 7 1 1 A 33 33 ARG CB C 33 29.842 29.667 0.175 1
1 333 . 7 1 1 A 33 33 ARG C C 33 178.649 178.863 -0.214 1
1 337 . 7 1 1 A 34 34 VAL N N 34 116.486 116.565 -0.079 1
1 338 . 7 1 1 A 34 34 VAL H H 34 7.902 7.748 0.154 1
1 339 . 7 1 1 A 34 34 VAL CA C 34 64.123 64.959 -0.836 1
1 340 . 7 1 1 A 34 34 VAL HA H 34 3.905 3.742 0.163 1
1 341 . 7 1 1 A 34 34 VAL CB C 34 31.069 31.259 -0.190 1
1 351 . 7 1 1 A 34 34 VAL C C 34 177.281 176.581 0.700 1
1 352 . 7 1 1 A 35 35 HIS N N 35 117.033 120.226 -3.193 1
1 353 . 7 1 1 A 35 35 HIS H H 35 7.126 7.746 -0.620 1
1 354 . 7 1 1 A 35 35 HIS CA C 35 54.996 55.773 -0.777 1
1 355 . 7 1 1 A 35 35 HIS HA H 35 4.875 4.627 0.248 1
1 356 . 7 1 1 A 35 35 HIS CB C 35 28.704 29.114 -0.410 1
1 362 . 7 1 1 A 35 35 HIS C C 35 175.499 175.711 -0.212 1
1 364 . 7 1 1 A 36 36 SER N N 36 114.731 114.749 -0.018 1
1 365 . 7 1 1 A 36 36 SER H H 36 7.792 7.819 -0.027 1
1 366 . 7 1 1 A 36 36 SER CA C 36 59.098 59.368 -0.270 1
1 367 . 7 1 1 A 36 36 SER HA H 36 4.463 4.372 0.091 1
1 368 . 7 1 1 A 36 36 SER CB C 36 64.002 64.522 -0.520 1
1 370 . 7 1 1 A 36 36 SER C C 36 175.139 174.662 0.477 1
1 372 . 7 1 1 A 37 37 GLY N N 37 110.777 107.915 2.862 1
1 373 . 7 1 1 A 37 37 GLY H H 37 8.316 8.226 0.090 1
1 374 . 7 1 1 A 37 37 GLY CA C 37 45.362 46.211 -0.849 1
1 375 . 7 1 1 A 37 37 GLY HA3 H 37 4.002 3.987 0.015 1
1 376 . 7 1 1 A 37 37 GLY C C 37 174.036 174.298 -0.262 1
1 377 . 7 1 1 A 37 37 GLY HA2 H 37 4.002 3.987 0.015 1
1 378 . 7 1 1 A 38 38 GLU N N 38 120.515 119.779 0.736 1
1 379 . 7 1 1 A 38 38 GLU H H 38 8.100 8.126 -0.026 1
1 380 . 7 1 1 A 38 38 GLU CA C 38 56.424 55.154 1.270 1
1 381 . 7 1 1 A 38 38 GLU HA H 38 4.269 4.844 -0.575 1
1 382 . 7 1 1 A 38 38 GLU CB C 38 30.494 32.351 -1.857 1
1 386 . 7 1 1 A 38 38 GLU C C 38 176.249 175.107 1.142 1
1 389 . 7 1 1 A 39 39 LYS N N 39 123.799 121.466 2.333 1
1 390 . 7 1 1 A 39 39 LYS H H 39 8.409 8.721 -0.312 1
1 391 . 7 1 1 A 39 39 LYS CA C 39 54.163 54.685 -0.522 1
1 392 . 7 1 1 A 39 39 LYS HA H 39 4.622 4.861 -0.239 1
1 393 . 7 1 1 A 39 39 LYS CB C 39 32.492 35.952 -3.460 1
1 405 . 7 1 1 A 40 40 PRO CA C 40 63.257 62.765 0.492 1
1 406 . 7 1 1 A 40 40 PRO HA H 40 4.475 4.767 -0.292 1
1 407 . 7 1 1 A 40 40 PRO CB C 40 32.139 32.512 -0.373 1
1 416 . 7 1 1 A 45 45 SER CA C 45 58.385 55.882 2.503 1
1 417 . 7 1 1 A 45 45 SER HA H 45 4.458 4.894 -0.436 1
1 418 . 7 1 1 A 45 45 SER CB C 45 64.084 65.881 -1.797 1
1 420 . 7 1 1 A 45 45 SER C C 45 173.896 174.600 -0.704 1
1 1 . 8 1 1 A 6 6 SER CA C 6 58.575 57.271 1.304 1
1 2 . 8 1 1 A 6 6 SER HA H 6 4.453 4.822 -0.369 1
1 3 . 8 1 1 A 6 6 SER CB C 6 63.817 64.802 -0.985 1
1 5 . 8 1 1 A 6 6 SER C C 6 175.107 172.722 2.385 1
1 7 . 8 1 1 A 7 7 GLY N N 7 110.865 113.171 -2.306 1
1 8 . 8 1 1 A 7 7 GLY H H 7 8.455 8.344 0.111 1
1 9 . 8 1 1 A 7 7 GLY CA C 7 45.447 45.764 -0.317 1
1 10 . 8 1 1 A 7 7 GLY HA3 H 7 4.006 4.062 -0.056 1
1 11 . 8 1 1 A 7 7 GLY C C 7 174.454 173.601 0.853 1
1 12 . 8 1 1 A 7 7 GLY HA2 H 7 4.006 4.061 -0.055 1
1 13 . 8 1 1 A 8 8 THR N N 8 112.847 110.142 2.705 1
1 14 . 8 1 1 A 8 8 THR H H 8 8.139 8.138 0.001 1
1 15 . 8 1 1 A 8 8 THR CA C 8 61.905 59.339 2.566 1
1 16 . 8 1 1 A 8 8 THR HA H 8 4.353 4.862 -0.509 1
1 17 . 8 1 1 A 8 8 THR CB C 8 69.843 71.523 -1.680 1
1 23 . 8 1 1 A 8 8 THR C C 8 175.228 174.307 0.921 1
1 24 . 8 1 1 A 9 9 GLY N N 9 110.821 111.227 -0.406 1
1 25 . 8 1 1 A 9 9 GLY H H 9 8.421 8.551 -0.130 1
1 26 . 8 1 1 A 9 9 GLY CA C 9 45.254 45.794 -0.540 1
1 27 . 8 1 1 A 9 9 GLY HA3 H 9 3.949 4.041 -0.092 1
1 28 . 8 1 1 A 9 9 GLY C C 9 174.011 173.411 0.600 1
1 29 . 8 1 1 A 9 9 GLY HA2 H 9 3.892 4.037 -0.145 1
1 30 . 8 1 1 A 10 10 GLU N N 10 120.237 121.408 -1.171 1
1 31 . 8 1 1 A 10 10 GLU H H 10 8.182 7.879 0.303 1
1 32 . 8 1 1 A 10 10 GLU CA C 10 56.937 55.428 1.509 1
1 33 . 8 1 1 A 10 10 GLU HA H 10 4.144 4.840 -0.696 1
1 34 . 8 1 1 A 10 10 GLU CB C 10 30.378 33.795 -3.417 1
1 38 . 8 1 1 A 10 10 GLU C C 10 176.184 174.286 1.898 1
1 41 . 8 1 1 A 11 11 LYS N N 11 121.342 126.351 -5.009 1
1 42 . 8 1 1 A 11 11 LYS H H 11 8.229 8.691 -0.462 1
1 43 . 8 1 1 A 11 11 LYS CA C 11 53.834 53.757 0.077 1
1 44 . 8 1 1 A 11 11 LYS HA H 11 4.484 4.572 -0.088 1
1 45 . 8 1 1 A 11 11 LYS CB C 11 32.967 32.232 0.735 1
1 57 . 8 1 1 A 12 12 PRO CA C 12 63.387 64.992 -1.605 1
1 58 . 8 1 1 A 12 12 PRO HA H 12 4.316 4.286 0.030 1
1 59 . 8 1 1 A 12 12 PRO CB C 12 32.242 31.611 0.631 1
1 65 . 8 1 1 A 12 12 PRO C C 12 176.139 175.908 0.231 1
1 69 . 8 1 1 A 13 13 TYR N N 13 118.364 118.239 0.125 1
1 70 . 8 1 1 A 13 13 TYR H H 13 7.941 7.269 0.672 1
1 71 . 8 1 1 A 13 13 TYR CA C 13 57.734 58.473 -0.739 1
1 72 . 8 1 1 A 13 13 TYR HA H 13 4.583 4.726 -0.143 1
1 73 . 8 1 1 A 13 13 TYR CB C 13 38.810 39.771 -0.961 1
1 83 . 8 1 1 A 13 13 TYR C C 13 174.591 175.425 -0.834 1
1 85 . 8 1 1 A 14 14 ASN N N 14 121.715 120.773 0.942 1
1 86 . 8 1 1 A 14 14 ASN H H 14 8.714 9.101 -0.387 1
1 87 . 8 1 1 A 14 14 ASN CA C 14 52.503 52.673 -0.170 1
1 88 . 8 1 1 A 14 14 ASN HA H 14 5.345 5.392 -0.047 1
1 89 . 8 1 1 A 14 14 ASN CB C 14 41.570 42.638 -1.068 1
1 94 . 8 1 1 A 14 14 ASN C C 14 173.463 173.328 0.135 1
1 96 . 8 1 1 A 15 15 CYS N N 15 124.857 124.016 0.841 1
1 97 . 8 1 1 A 15 15 CYS H H 15 9.202 9.199 0.003 1
1 98 . 8 1 1 A 15 15 CYS CA C 15 59.089 58.255 0.834 1
1 99 . 8 1 1 A 15 15 CYS HA H 15 4.627 4.799 -0.172 1
1 100 . 8 1 1 A 15 15 CYS CB C 15 29.702 29.625 0.077 1
1 102 . 8 1 1 A 15 15 CYS C C 15 177.005 174.923 2.082 1
1 104 . 8 1 1 A 16 16 LYS N N 16 131.671 128.006 3.665 1
1 105 . 8 1 1 A 16 16 LYS H H 16 9.303 8.928 0.375 1
1 106 . 8 1 1 A 16 16 LYS CA C 16 58.569 57.096 1.473 1
1 107 . 8 1 1 A 16 16 LYS HA H 16 4.162 4.334 -0.172 1
1 108 . 8 1 1 A 16 16 LYS CB C 16 32.192 32.368 -0.176 1
1 116 . 8 1 1 A 16 16 LYS C C 16 177.048 178.380 -1.332 1
1 121 . 8 1 1 A 17 17 GLU N N 17 119.887 119.825 0.062 1
1 122 . 8 1 1 A 17 17 GLU H H 17 8.581 8.240 0.341 1
1 123 . 8 1 1 A 17 17 GLU CA C 17 58.433 59.205 -0.772 1
1 124 . 8 1 1 A 17 17 GLU HA H 17 4.186 3.944 0.242 1
1 125 . 8 1 1 A 17 17 GLU CB C 17 29.328 28.544 0.784 1
1 129 . 8 1 1 A 17 17 GLU C C 17 177.219 178.413 -1.194 1
1 132 . 8 1 1 A 18 18 CYS N N 18 114.441 115.078 -0.637 1
1 133 . 8 1 1 A 18 18 CYS H H 18 7.918 7.898 0.020 1
1 134 . 8 1 1 A 18 18 CYS CA C 18 58.398 59.789 -1.391 1
1 135 . 8 1 1 A 18 18 CYS HA H 18 5.178 4.659 0.519 1
1 136 . 8 1 1 A 18 18 CYS CB C 18 32.515 29.570 2.945 1
1 138 . 8 1 1 A 18 18 CYS C C 18 176.163 175.386 0.777 1
1 140 . 8 1 1 A 19 19 GLY N N 19 113.399 110.243 3.156 1
1 141 . 8 1 1 A 19 19 GLY H H 19 8.276 8.180 0.096 1
1 142 . 8 1 1 A 19 19 GLY CA C 19 46.239 45.672 0.567 1
1 143 . 8 1 1 A 19 19 GLY HA3 H 19 4.238 4.098 0.140 1
1 144 . 8 1 1 A 19 19 GLY C C 19 174.108 174.112 -0.004 1
1 145 . 8 1 1 A 19 19 GLY HA2 H 19 3.895 4.086 -0.191 1
1 146 . 8 1 1 A 20 20 LYS N N 20 122.801 119.206 3.595 1
1 147 . 8 1 1 A 20 20 LYS H H 20 7.927 7.877 0.050 1
1 148 . 8 1 1 A 20 20 LYS CA C 20 58.073 54.585 3.488 1
1 149 . 8 1 1 A 20 20 LYS HA H 20 4.028 4.695 -0.667 1
1 150 . 8 1 1 A 20 20 LYS CB C 20 33.995 34.722 -0.727 1
1 158 . 8 1 1 A 20 20 LYS C C 20 174.252 175.427 -1.175 1
1 163 . 8 1 1 A 21 21 SER N N 21 115.354 115.973 -0.619 1
1 164 . 8 1 1 A 21 21 SER H H 21 7.753 8.453 -0.700 1
1 165 . 8 1 1 A 21 21 SER CA C 21 56.907 57.125 -0.218 1
1 166 . 8 1 1 A 21 21 SER HA H 21 5.264 5.472 -0.208 1
1 167 . 8 1 1 A 21 21 SER CB C 21 65.905 66.243 -0.338 1
1 169 . 8 1 1 A 21 21 SER C C 21 173.109 172.662 0.447 1
1 171 . 8 1 1 A 22 22 PHE N N 22 118.558 120.164 -1.606 1
1 172 . 8 1 1 A 22 22 PHE H H 22 8.756 8.929 -0.173 1
1 173 . 8 1 1 A 22 22 PHE CA C 22 57.139 56.375 0.764 1
1 174 . 8 1 1 A 22 22 PHE HA H 22 4.743 4.864 -0.121 1
1 175 . 8 1 1 A 22 22 PHE CB C 22 43.854 43.357 0.497 1
1 187 . 8 1 1 A 22 22 PHE C C 22 174.812 175.486 -0.674 1
1 189 . 8 1 1 A 23 23 ARG N N 23 121.492 122.978 -1.486 1
1 190 . 8 1 1 A 23 23 ARG H H 23 9.062 8.842 0.220 1
1 191 . 8 1 1 A 23 23 ARG CA C 23 58.297 57.776 0.521 1
1 192 . 8 1 1 A 23 23 ARG HA H 23 4.148 4.285 -0.137 1
1 193 . 8 1 1 A 23 23 ARG CB C 23 30.777 30.969 -0.192 1
1 199 . 8 1 1 A 23 23 ARG C C 23 175.059 175.693 -0.634 1
1 203 . 8 1 1 A 24 24 TRP N N 24 135.582 117.870 17.712 1
1 204 . 8 1 1 A 24 24 TRP H H 24 7.265 7.939 -0.674 1
1 205 . 8 1 1 A 24 24 TRP CA C 24 55.009 56.737 -1.728 1
1 206 . 8 1 1 A 24 24 TRP HA H 24 5.251 4.935 0.316 1
1 207 . 8 1 1 A 24 24 TRP CB C 24 32.664 31.943 0.721 1
1 221 . 8 1 1 A 24 24 TRP C C 24 176.478 176.000 0.478 1
1 223 . 8 1 1 A 25 25 ALA N N 25 127.796 125.402 2.394 1
1 224 . 8 1 1 A 25 25 ALA H H 25 8.590 8.719 -0.129 1
1 225 . 8 1 1 A 25 25 ALA CA C 25 55.039 55.008 0.031 1
1 226 . 8 1 1 A 25 25 ALA HA H 25 3.100 3.290 -0.190 1
1 227 . 8 1 1 A 25 25 ALA CB C 25 17.676 18.577 -0.901 1
1 231 . 8 1 1 A 26 26 SER CA C 26 61.568 62.349 -0.781 1
1 232 . 8 1 1 A 26 26 SER HA H 26 3.889 4.008 -0.119 1
1 233 . 8 1 1 A 26 26 SER CB C 26 60.859 62.576 -1.717 1
1 235 . 8 1 1 A 26 26 SER C C 26 177.407 176.716 0.691 1
1 237 . 8 1 1 A 27 27 CYS N N 27 122.821 119.748 3.073 1
1 238 . 8 1 1 A 27 27 CYS H H 27 7.093 8.370 -1.277 1
1 239 . 8 1 1 A 27 27 CYS CA C 27 62.747 63.274 -0.527 1
1 240 . 8 1 1 A 27 27 CYS HA H 27 4.000 4.068 -0.068 1
1 241 . 8 1 1 A 27 27 CYS CB C 27 28.498 27.283 1.215 1
1 242 . 8 1 1 A 27 27 CYS C C 27 178.084 176.937 1.147 1
1 244 . 8 1 1 A 28 28 LEU N N 28 121.440 120.932 0.508 1
1 245 . 8 1 1 A 28 28 LEU H H 28 6.965 7.589 -0.624 1
1 246 . 8 1 1 A 28 28 LEU CA C 28 57.672 57.276 0.396 1
1 247 . 8 1 1 A 28 28 LEU HA H 28 3.210 2.296 0.914 1
1 248 . 8 1 1 A 28 28 LEU CB C 28 40.463 41.192 -0.729 1
1 260 . 8 1 1 A 28 28 LEU C C 28 177.411 177.912 -0.501 1
1 262 . 8 1 1 A 29 29 LEU N N 29 119.582 119.600 -0.018 1
1 263 . 8 1 1 A 29 29 LEU H H 29 7.918 7.791 0.127 1
1 264 . 8 1 1 A 29 29 LEU CA C 29 58.172 58.410 -0.238 1
1 265 . 8 1 1 A 29 29 LEU HA H 29 4.085 3.920 0.165 1
1 266 . 8 1 1 A 29 29 LEU CB C 29 41.634 41.564 0.070 1
1 278 . 8 1 1 A 29 29 LEU C C 29 179.868 178.504 1.364 1
1 280 . 8 1 1 A 30 30 LYS N N 30 117.949 118.939 -0.990 1
1 281 . 8 1 1 A 30 30 LYS H H 30 7.494 8.265 -0.771 1
1 282 . 8 1 1 A 30 30 LYS CA C 30 59.428 59.248 0.180 1
1 283 . 8 1 1 A 30 30 LYS HA H 30 3.947 3.872 0.075 1
1 284 . 8 1 1 A 30 30 LYS CB C 30 32.538 32.077 0.461 1
1 292 . 8 1 1 A 30 30 LYS C C 30 179.147 178.958 0.189 1
1 297 . 8 1 1 A 31 31 HIS N N 31 118.910 119.415 -0.505 1
1 298 . 8 1 1 A 31 31 HIS H H 31 7.688 8.016 -0.328 1
1 299 . 8 1 1 A 31 31 HIS CA C 31 58.850 59.867 -1.017 1
1 300 . 8 1 1 A 31 31 HIS HA H 31 4.237 4.214 0.023 1
1 301 . 8 1 1 A 31 31 HIS CB C 31 28.584 29.740 -1.156 1
1 307 . 8 1 1 A 31 31 HIS C C 31 176.001 177.275 -1.274 1
1 309 . 8 1 1 A 32 32 GLN N N 32 115.428 118.031 -2.603 1
1 310 . 8 1 1 A 32 32 GLN H H 32 8.230 8.053 0.177 1
1 311 . 8 1 1 A 32 32 GLN CA C 32 59.190 58.934 0.256 1
1 312 . 8 1 1 A 32 32 GLN HA H 32 3.706 3.710 -0.004 1
1 313 . 8 1 1 A 32 32 GLN CB C 32 28.135 28.261 -0.126 1
1 320 . 8 1 1 A 32 32 GLN C C 32 177.623 178.897 -1.274 1
1 323 . 8 1 1 A 33 33 ARG N N 33 118.204 120.418 -2.214 1
1 324 . 8 1 1 A 33 33 ARG H H 33 7.197 7.766 -0.569 1
1 325 . 8 1 1 A 33 33 ARG CA C 33 58.506 59.049 -0.543 1
1 326 . 8 1 1 A 33 33 ARG HA H 33 4.134 3.940 0.194 1
1 327 . 8 1 1 A 33 33 ARG CB C 33 29.842 29.788 0.054 1
1 333 . 8 1 1 A 33 33 ARG C C 33 178.649 178.483 0.166 1
1 337 . 8 1 1 A 34 34 VAL N N 34 116.486 116.968 -0.482 1
1 338 . 8 1 1 A 34 34 VAL H H 34 7.902 7.800 0.102 1
1 339 . 8 1 1 A 34 34 VAL CA C 34 64.123 65.277 -1.154 1
1 340 . 8 1 1 A 34 34 VAL HA H 34 3.905 3.667 0.238 1
1 341 . 8 1 1 A 34 34 VAL CB C 34 31.069 31.235 -0.166 1
1 351 . 8 1 1 A 34 34 VAL C C 34 177.281 177.441 -0.160 1
1 352 . 8 1 1 A 35 35 HIS N N 35 117.033 120.224 -3.191 1
1 353 . 8 1 1 A 35 35 HIS H H 35 7.126 7.801 -0.675 1
1 354 . 8 1 1 A 35 35 HIS CA C 35 54.996 58.179 -3.183 1
1 355 . 8 1 1 A 35 35 HIS HA H 35 4.875 4.446 0.429 1
1 356 . 8 1 1 A 35 35 HIS CB C 35 28.704 30.820 -2.116 1
1 362 . 8 1 1 A 35 35 HIS C C 35 175.499 176.181 -0.682 1
1 364 . 8 1 1 A 36 36 SER N N 36 114.731 113.925 0.806 1
1 365 . 8 1 1 A 36 36 SER H H 36 7.792 7.978 -0.186 1
1 366 . 8 1 1 A 36 36 SER CA C 36 59.098 59.832 -0.734 1
1 367 . 8 1 1 A 36 36 SER HA H 36 4.463 4.187 0.276 1
1 368 . 8 1 1 A 36 36 SER CB C 36 64.002 62.464 1.538 1
1 370 . 8 1 1 A 36 36 SER C C 36 175.139 173.838 1.301 1
1 372 . 8 1 1 A 37 37 GLY N N 37 110.777 113.209 -2.432 1
1 373 . 8 1 1 A 37 37 GLY H H 37 8.316 8.249 0.067 1
1 374 . 8 1 1 A 37 37 GLY CA C 37 45.362 44.678 0.684 1
1 375 . 8 1 1 A 37 37 GLY HA3 H 37 4.002 4.132 -0.130 1
1 376 . 8 1 1 A 37 37 GLY C C 37 174.036 171.052 2.984 1
1 377 . 8 1 1 A 37 37 GLY HA2 H 37 4.002 4.130 -0.128 1
1 378 . 8 1 1 A 38 38 GLU N N 38 120.515 121.385 -0.870 1
1 379 . 8 1 1 A 38 38 GLU H H 38 8.100 8.657 -0.557 1
1 380 . 8 1 1 A 38 38 GLU CA C 38 56.424 55.332 1.092 1
1 381 . 8 1 1 A 38 38 GLU HA H 38 4.269 5.166 -0.897 1
1 382 . 8 1 1 A 38 38 GLU CB C 38 30.494 32.677 -2.183 1
1 386 . 8 1 1 A 38 38 GLU C C 38 176.249 175.110 1.139 1
1 389 . 8 1 1 A 39 39 LYS N N 39 123.799 124.752 -0.953 1
1 390 . 8 1 1 A 39 39 LYS H H 39 8.409 8.925 -0.516 1
1 391 . 8 1 1 A 39 39 LYS CA C 39 54.163 53.724 0.439 1
1 392 . 8 1 1 A 39 39 LYS HA H 39 4.622 4.972 -0.350 1
1 393 . 8 1 1 A 39 39 LYS CB C 39 32.492 34.048 -1.556 1
1 405 . 8 1 1 A 40 40 PRO CA C 40 63.257 62.788 0.469 1
1 406 . 8 1 1 A 40 40 PRO HA H 40 4.475 4.752 -0.277 1
1 407 . 8 1 1 A 40 40 PRO CB C 40 32.139 31.529 0.610 1
1 416 . 8 1 1 A 45 45 SER CA C 45 58.385 60.583 -2.198 1
1 417 . 8 1 1 A 45 45 SER HA H 45 4.458 4.271 0.187 1
1 418 . 8 1 1 A 45 45 SER CB C 45 64.084 63.597 0.487 1
1 420 . 8 1 1 A 45 45 SER C C 45 173.896 174.885 -0.989 1
1 1 . 9 1 1 A 6 6 SER CA C 6 58.575 57.494 1.081 1
1 2 . 9 1 1 A 6 6 SER HA H 6 4.453 4.643 -0.190 1
1 3 . 9 1 1 A 6 6 SER CB C 6 63.817 63.331 0.486 1
1 5 . 9 1 1 A 6 6 SER C C 6 175.107 175.103 0.004 1
1 7 . 9 1 1 A 7 7 GLY N N 7 110.865 109.527 1.338 1
1 8 . 9 1 1 A 7 7 GLY H H 7 8.455 7.938 0.517 1
1 9 . 9 1 1 A 7 7 GLY CA C 7 45.447 47.098 -1.651 1
1 10 . 9 1 1 A 7 7 GLY HA3 H 7 4.006 3.906 0.100 1
1 11 . 9 1 1 A 7 7 GLY C C 7 174.454 174.597 -0.143 1
1 12 . 9 1 1 A 7 7 GLY HA2 H 7 4.006 3.906 0.100 1
1 13 . 9 1 1 A 8 8 THR N N 8 112.847 114.889 -2.042 1
1 14 . 9 1 1 A 8 8 THR H H 8 8.139 7.863 0.276 1
1 15 . 9 1 1 A 8 8 THR CA C 8 61.905 63.632 -1.727 1
1 16 . 9 1 1 A 8 8 THR HA H 8 4.353 4.058 0.295 1
1 17 . 9 1 1 A 8 8 THR CB C 8 69.843 68.354 1.489 1
1 23 . 9 1 1 A 8 8 THR C C 8 175.228 175.340 -0.112 1
1 24 . 9 1 1 A 9 9 GLY N N 9 110.821 116.089 -5.268 1
1 25 . 9 1 1 A 9 9 GLY H H 9 8.421 8.782 -0.361 1
1 26 . 9 1 1 A 9 9 GLY CA C 9 45.254 45.659 -0.405 1
1 27 . 9 1 1 A 9 9 GLY HA3 H 9 3.949 4.166 -0.217 1
1 28 . 9 1 1 A 9 9 GLY C C 9 174.011 173.659 0.352 1
1 29 . 9 1 1 A 9 9 GLY HA2 H 9 3.892 4.161 -0.269 1
1 30 . 9 1 1 A 10 10 GLU N N 10 120.237 120.496 -0.259 1
1 31 . 9 1 1 A 10 10 GLU H H 10 8.182 7.948 0.234 1
1 32 . 9 1 1 A 10 10 GLU CA C 10 56.937 54.492 2.445 1
1 33 . 9 1 1 A 10 10 GLU HA H 10 4.144 4.915 -0.771 1
1 34 . 9 1 1 A 10 10 GLU CB C 10 30.378 33.378 -3.000 1
1 38 . 9 1 1 A 10 10 GLU C C 10 176.184 175.038 1.146 1
1 41 . 9 1 1 A 11 11 LYS N N 11 121.342 125.034 -3.692 1
1 42 . 9 1 1 A 11 11 LYS H H 11 8.229 8.511 -0.282 1
1 43 . 9 1 1 A 11 11 LYS CA C 11 53.834 55.095 -1.261 1
1 44 . 9 1 1 A 11 11 LYS HA H 11 4.484 4.273 0.211 1
1 45 . 9 1 1 A 11 11 LYS CB C 11 32.967 31.905 1.062 1
1 57 . 9 1 1 A 12 12 PRO CA C 12 63.387 64.925 -1.538 1
1 58 . 9 1 1 A 12 12 PRO HA H 12 4.316 4.251 0.065 1
1 59 . 9 1 1 A 12 12 PRO CB C 12 32.242 31.695 0.547 1
1 65 . 9 1 1 A 12 12 PRO C C 12 176.139 175.732 0.407 1
1 69 . 9 1 1 A 13 13 TYR N N 13 118.364 118.840 -0.476 1
1 70 . 9 1 1 A 13 13 TYR H H 13 7.941 7.195 0.746 1
1 71 . 9 1 1 A 13 13 TYR CA C 13 57.734 57.832 -0.098 1
1 72 . 9 1 1 A 13 13 TYR HA H 13 4.583 4.882 -0.299 1
1 73 . 9 1 1 A 13 13 TYR CB C 13 38.810 40.366 -1.556 1
1 83 . 9 1 1 A 13 13 TYR C C 13 174.591 175.444 -0.853 1
1 85 . 9 1 1 A 14 14 ASN N N 14 121.715 117.959 3.756 1
1 86 . 9 1 1 A 14 14 ASN H H 14 8.714 9.272 -0.558 1
1 87 . 9 1 1 A 14 14 ASN CA C 14 52.503 51.828 0.675 1
1 88 . 9 1 1 A 14 14 ASN HA H 14 5.345 5.761 -0.416 1
1 89 . 9 1 1 A 14 14 ASN CB C 14 41.570 41.923 -0.353 1
1 94 . 9 1 1 A 14 14 ASN C C 14 173.463 173.512 -0.049 1
1 96 . 9 1 1 A 15 15 CYS N N 15 124.857 123.751 1.106 1
1 97 . 9 1 1 A 15 15 CYS H H 15 9.202 9.065 0.137 1
1 98 . 9 1 1 A 15 15 CYS CA C 15 59.089 59.903 -0.814 1
1 99 . 9 1 1 A 15 15 CYS HA H 15 4.627 4.549 0.078 1
1 100 . 9 1 1 A 15 15 CYS CB C 15 29.702 28.293 1.409 1
1 102 . 9 1 1 A 15 15 CYS C C 15 177.005 174.700 2.305 1
1 104 . 9 1 1 A 16 16 LYS N N 16 131.671 127.985 3.686 1
1 105 . 9 1 1 A 16 16 LYS H H 16 9.303 8.871 0.432 1
1 106 . 9 1 1 A 16 16 LYS CA C 16 58.569 58.325 0.244 1
1 107 . 9 1 1 A 16 16 LYS HA H 16 4.162 4.289 -0.127 1
1 108 . 9 1 1 A 16 16 LYS CB C 16 32.192 32.510 -0.318 1
1 116 . 9 1 1 A 16 16 LYS C C 16 177.048 178.880 -1.832 1
1 121 . 9 1 1 A 17 17 GLU N N 17 119.887 119.717 0.170 1
1 122 . 9 1 1 A 17 17 GLU H H 17 8.581 8.366 0.215 1
1 123 . 9 1 1 A 17 17 GLU CA C 17 58.433 59.020 -0.587 1
1 124 . 9 1 1 A 17 17 GLU HA H 17 4.186 3.928 0.258 1
1 125 . 9 1 1 A 17 17 GLU CB C 17 29.328 28.711 0.617 1
1 129 . 9 1 1 A 17 17 GLU C C 17 177.219 178.404 -1.185 1
1 132 . 9 1 1 A 18 18 CYS N N 18 114.441 114.930 -0.489 1
1 133 . 9 1 1 A 18 18 CYS H H 18 7.918 7.906 0.012 1
1 134 . 9 1 1 A 18 18 CYS CA C 18 58.398 59.791 -1.393 1
1 135 . 9 1 1 A 18 18 CYS HA H 18 5.178 4.653 0.525 1
1 136 . 9 1 1 A 18 18 CYS CB C 18 32.515 29.567 2.948 1
1 138 . 9 1 1 A 18 18 CYS C C 18 176.163 175.402 0.761 1
1 140 . 9 1 1 A 19 19 GLY N N 19 113.399 110.251 3.148 1
1 141 . 9 1 1 A 19 19 GLY H H 19 8.276 8.180 0.096 1
1 142 . 9 1 1 A 19 19 GLY CA C 19 46.239 45.659 0.580 1
1 143 . 9 1 1 A 19 19 GLY HA3 H 19 4.238 4.105 0.133 1
1 144 . 9 1 1 A 19 19 GLY C C 19 174.108 174.062 0.046 1
1 145 . 9 1 1 A 19 19 GLY HA2 H 19 3.895 4.095 -0.200 1
1 146 . 9 1 1 A 20 20 LYS N N 20 122.801 119.415 3.386 1
1 147 . 9 1 1 A 20 20 LYS H H 20 7.927 7.862 0.065 1
1 148 . 9 1 1 A 20 20 LYS CA C 20 58.073 54.519 3.554 1
1 149 . 9 1 1 A 20 20 LYS HA H 20 4.028 4.732 -0.704 1
1 150 . 9 1 1 A 20 20 LYS CB C 20 33.995 34.754 -0.759 1
1 158 . 9 1 1 A 20 20 LYS C C 20 174.252 175.517 -1.265 1
1 163 . 9 1 1 A 21 21 SER N N 21 115.354 116.478 -1.124 1
1 164 . 9 1 1 A 21 21 SER H H 21 7.753 8.606 -0.853 1
1 165 . 9 1 1 A 21 21 SER CA C 21 56.907 56.851 0.056 1
1 166 . 9 1 1 A 21 21 SER HA H 21 5.264 5.668 -0.404 1
1 167 . 9 1 1 A 21 21 SER CB C 21 65.905 66.352 -0.447 1
1 169 . 9 1 1 A 21 21 SER C C 21 173.109 173.011 0.098 1
1 171 . 9 1 1 A 22 22 PHE N N 22 118.558 120.275 -1.717 1
1 172 . 9 1 1 A 22 22 PHE H H 22 8.756 8.953 -0.197 1
1 173 . 9 1 1 A 22 22 PHE CA C 22 57.139 56.404 0.735 1
1 174 . 9 1 1 A 22 22 PHE HA H 22 4.743 5.060 -0.317 1
1 175 . 9 1 1 A 22 22 PHE CB C 22 43.854 43.354 0.500 1
1 187 . 9 1 1 A 22 22 PHE C C 22 174.812 174.747 0.065 1
1 189 . 9 1 1 A 23 23 ARG N N 23 121.492 124.274 -2.782 1
1 190 . 9 1 1 A 23 23 ARG H H 23 9.062 8.899 0.163 1
1 191 . 9 1 1 A 23 23 ARG CA C 23 58.297 55.449 2.848 1
1 192 . 9 1 1 A 23 23 ARG HA H 23 4.148 4.561 -0.413 1
1 193 . 9 1 1 A 23 23 ARG CB C 23 30.777 29.674 1.103 1
1 199 . 9 1 1 A 23 23 ARG C C 23 175.059 174.677 0.382 1
1 203 . 9 1 1 A 24 24 TRP N N 24 135.582 121.412 14.170 1
1 204 . 9 1 1 A 24 24 TRP H H 24 7.265 7.653 -0.388 1
1 205 . 9 1 1 A 24 24 TRP CA C 24 55.009 55.837 -0.828 1
1 206 . 9 1 1 A 24 24 TRP HA H 24 5.251 5.098 0.153 1
1 207 . 9 1 1 A 24 24 TRP CB C 24 32.664 33.576 -0.912 1
1 221 . 9 1 1 A 24 24 TRP C C 24 176.478 175.732 0.746 1
1 223 . 9 1 1 A 25 25 ALA N N 25 127.796 125.913 1.883 1
1 224 . 9 1 1 A 25 25 ALA H H 25 8.590 8.996 -0.406 1
1 225 . 9 1 1 A 25 25 ALA CA C 25 55.039 55.027 0.012 1
1 226 . 9 1 1 A 25 25 ALA HA H 25 3.100 3.247 -0.147 1
1 227 . 9 1 1 A 25 25 ALA CB C 25 17.676 17.967 -0.291 1
1 231 . 9 1 1 A 26 26 SER CA C 26 61.568 62.477 -0.909 1
1 232 . 9 1 1 A 26 26 SER HA H 26 3.889 4.038 -0.149 1
1 233 . 9 1 1 A 26 26 SER CB C 26 60.859 62.698 -1.839 1
1 235 . 9 1 1 A 26 26 SER C C 26 177.407 175.650 1.757 1
1 237 . 9 1 1 A 27 27 CYS N N 27 122.821 120.813 2.008 1
1 238 . 9 1 1 A 27 27 CYS H H 27 7.093 8.147 -1.054 1
1 239 . 9 1 1 A 27 27 CYS CA C 27 62.747 62.652 0.095 1
1 240 . 9 1 1 A 27 27 CYS HA H 27 4.000 3.993 0.007 1
1 241 . 9 1 1 A 27 27 CYS CB C 27 28.498 27.116 1.382 1
1 242 . 9 1 1 A 27 27 CYS C C 27 178.084 177.197 0.887 1
1 244 . 9 1 1 A 28 28 LEU N N 28 121.440 121.540 -0.100 1
1 245 . 9 1 1 A 28 28 LEU H H 28 6.965 7.643 -0.678 1
1 246 . 9 1 1 A 28 28 LEU CA C 28 57.672 57.502 0.170 1
1 247 . 9 1 1 A 28 28 LEU HA H 28 3.210 2.467 0.743 1
1 248 . 9 1 1 A 28 28 LEU CB C 28 40.463 41.212 -0.749 1
1 260 . 9 1 1 A 28 28 LEU C C 28 177.411 178.242 -0.831 1
1 262 . 9 1 1 A 29 29 LEU N N 29 119.582 118.850 0.732 1
1 263 . 9 1 1 A 29 29 LEU H H 29 7.918 7.850 0.068 1
1 264 . 9 1 1 A 29 29 LEU CA C 29 58.172 57.978 0.194 1
1 265 . 9 1 1 A 29 29 LEU HA H 29 4.085 3.750 0.335 1
1 266 . 9 1 1 A 29 29 LEU CB C 29 41.634 41.780 -0.146 1
1 278 . 9 1 1 A 29 29 LEU C C 29 179.868 178.609 1.259 1
1 280 . 9 1 1 A 30 30 LYS N N 30 117.949 117.361 0.588 1
1 281 . 9 1 1 A 30 30 LYS H H 30 7.494 8.197 -0.703 1
1 282 . 9 1 1 A 30 30 LYS CA C 30 59.428 59.017 0.411 1
1 283 . 9 1 1 A 30 30 LYS HA H 30 3.947 3.953 -0.006 1
1 284 . 9 1 1 A 30 30 LYS CB C 30 32.538 32.402 0.136 1
1 292 . 9 1 1 A 30 30 LYS C C 30 179.147 178.789 0.358 1
1 297 . 9 1 1 A 31 31 HIS N N 31 118.910 119.783 -0.873 1
1 298 . 9 1 1 A 31 31 HIS H H 31 7.688 7.709 -0.021 1
1 299 . 9 1 1 A 31 31 HIS CA C 31 58.850 59.961 -1.111 1
1 300 . 9 1 1 A 31 31 HIS HA H 31 4.237 4.203 0.034 1
1 301 . 9 1 1 A 31 31 HIS CB C 31 28.584 29.612 -1.028 1
1 307 . 9 1 1 A 31 31 HIS C C 31 176.001 177.263 -1.262 1
1 309 . 9 1 1 A 32 32 GLN N N 32 115.428 117.124 -1.696 1
1 310 . 9 1 1 A 32 32 GLN H H 32 8.230 8.048 0.182 1
1 311 . 9 1 1 A 32 32 GLN CA C 32 59.190 59.095 0.095 1
1 312 . 9 1 1 A 32 32 GLN HA H 32 3.706 3.739 -0.033 1
1 313 . 9 1 1 A 32 32 GLN CB C 32 28.135 28.285 -0.150 1
1 320 . 9 1 1 A 32 32 GLN C C 32 177.623 178.499 -0.876 1
1 323 . 9 1 1 A 33 33 ARG N N 33 118.204 120.182 -1.978 1
1 324 . 9 1 1 A 33 33 ARG H H 33 7.197 7.773 -0.576 1
1 325 . 9 1 1 A 33 33 ARG CA C 33 58.506 59.084 -0.578 1
1 326 . 9 1 1 A 33 33 ARG HA H 33 4.134 3.975 0.159 1
1 327 . 9 1 1 A 33 33 ARG CB C 33 29.842 29.768 0.074 1
1 333 . 9 1 1 A 33 33 ARG C C 33 178.649 178.979 -0.330 1
1 337 . 9 1 1 A 34 34 VAL N N 34 116.486 117.263 -0.777 1
1 338 . 9 1 1 A 34 34 VAL H H 34 7.902 8.012 -0.110 1
1 339 . 9 1 1 A 34 34 VAL CA C 34 64.123 65.158 -1.035 1
1 340 . 9 1 1 A 34 34 VAL HA H 34 3.905 3.732 0.173 1
1 341 . 9 1 1 A 34 34 VAL CB C 34 31.069 31.128 -0.059 1
1 351 . 9 1 1 A 34 34 VAL C C 34 177.281 176.785 0.496 1
1 352 . 9 1 1 A 35 35 HIS N N 35 117.033 119.837 -2.804 1
1 353 . 9 1 1 A 35 35 HIS H H 35 7.126 7.537 -0.411 1
1 354 . 9 1 1 A 35 35 HIS CA C 35 54.996 57.672 -2.676 1
1 355 . 9 1 1 A 35 35 HIS HA H 35 4.875 4.475 0.400 1
1 356 . 9 1 1 A 35 35 HIS CB C 35 28.704 31.236 -2.532 1
1 362 . 9 1 1 A 35 35 HIS C C 35 175.499 176.266 -0.767 1
1 364 . 9 1 1 A 36 36 SER N N 36 114.731 113.791 0.940 1
1 365 . 9 1 1 A 36 36 SER H H 36 7.792 7.683 0.109 1
1 366 . 9 1 1 A 36 36 SER CA C 36 59.098 57.030 2.068 1
1 367 . 9 1 1 A 36 36 SER HA H 36 4.463 4.427 0.036 1
1 368 . 9 1 1 A 36 36 SER CB C 36 64.002 62.646 1.356 1
1 370 . 9 1 1 A 36 36 SER C C 36 175.139 173.593 1.546 1
1 372 . 9 1 1 A 37 37 GLY N N 37 110.777 114.218 -3.441 1
1 373 . 9 1 1 A 37 37 GLY H H 37 8.316 8.495 -0.179 1
1 374 . 9 1 1 A 37 37 GLY CA C 37 45.362 44.607 0.755 1
1 375 . 9 1 1 A 37 37 GLY HA3 H 37 4.002 4.043 -0.041 1
1 376 . 9 1 1 A 37 37 GLY C C 37 174.036 173.286 0.750 1
1 377 . 9 1 1 A 37 37 GLY HA2 H 37 4.002 4.040 -0.038 1
1 378 . 9 1 1 A 38 38 GLU N N 38 120.515 122.514 -1.999 1
1 379 . 9 1 1 A 38 38 GLU H H 38 8.100 8.505 -0.405 1
1 380 . 9 1 1 A 38 38 GLU CA C 38 56.424 55.616 0.808 1
1 381 . 9 1 1 A 38 38 GLU HA H 38 4.269 4.600 -0.331 1
1 382 . 9 1 1 A 38 38 GLU CB C 38 30.494 29.864 0.630 1
1 386 . 9 1 1 A 38 38 GLU C C 38 176.249 176.312 -0.063 1
1 389 . 9 1 1 A 39 39 LYS N N 39 123.799 122.433 1.366 1
1 390 . 9 1 1 A 39 39 LYS H H 39 8.409 8.614 -0.205 1
1 391 . 9 1 1 A 39 39 LYS CA C 39 54.163 53.775 0.388 1
1 392 . 9 1 1 A 39 39 LYS HA H 39 4.622 4.913 -0.291 1
1 393 . 9 1 1 A 39 39 LYS CB C 39 32.492 33.841 -1.349 1
1 405 . 9 1 1 A 40 40 PRO CA C 40 63.257 62.743 0.514 1
1 406 . 9 1 1 A 40 40 PRO HA H 40 4.475 4.707 -0.232 1
1 407 . 9 1 1 A 40 40 PRO CB C 40 32.139 31.683 0.456 1
1 416 . 9 1 1 A 45 45 SER CA C 45 58.385 59.831 -1.446 1
1 417 . 9 1 1 A 45 45 SER HA H 45 4.458 4.405 0.053 1
1 418 . 9 1 1 A 45 45 SER CB C 45 64.084 64.511 -0.427 1
1 420 . 9 1 1 A 45 45 SER C C 45 173.896 175.147 -1.251 1
1 1 . 10 1 1 A 6 6 SER CA C 6 58.575 57.440 1.135 1
1 2 . 10 1 1 A 6 6 SER HA H 6 4.453 4.864 -0.411 1
1 3 . 10 1 1 A 6 6 SER CB C 6 63.817 65.820 -2.003 1
1 5 . 10 1 1 A 6 6 SER C C 6 175.107 174.392 0.715 1
1 7 . 10 1 1 A 7 7 GLY N N 7 110.865 111.522 -0.657 1
1 8 . 10 1 1 A 7 7 GLY H H 7 8.455 8.753 -0.298 1
1 9 . 10 1 1 A 7 7 GLY CA C 7 45.447 44.957 0.490 1
1 10 . 10 1 1 A 7 7 GLY HA3 H 7 4.006 3.927 0.079 1
1 11 . 10 1 1 A 7 7 GLY C C 7 174.454 172.769 1.685 1
1 12 . 10 1 1 A 7 7 GLY HA2 H 7 4.006 3.925 0.081 1
1 13 . 10 1 1 A 8 8 THR N N 8 112.847 114.315 -1.468 1
1 14 . 10 1 1 A 8 8 THR H H 8 8.139 8.206 -0.067 1
1 15 . 10 1 1 A 8 8 THR CA C 8 61.905 60.659 1.246 1
1 16 . 10 1 1 A 8 8 THR HA H 8 4.353 4.978 -0.625 1
1 17 . 10 1 1 A 8 8 THR CB C 8 69.843 70.812 -0.969 1
1 23 . 10 1 1 A 8 8 THR C C 8 175.228 174.020 1.208 1
1 24 . 10 1 1 A 9 9 GLY N N 9 110.821 112.110 -1.289 1
1 25 . 10 1 1 A 9 9 GLY H H 9 8.421 8.526 -0.105 1
1 26 . 10 1 1 A 9 9 GLY CA C 9 45.254 45.127 0.127 1
1 27 . 10 1 1 A 9 9 GLY HA3 H 9 3.949 4.137 -0.188 1
1 28 . 10 1 1 A 9 9 GLY C C 9 174.011 172.424 1.587 1
1 29 . 10 1 1 A 9 9 GLY HA2 H 9 3.892 4.135 -0.243 1
1 30 . 10 1 1 A 10 10 GLU N N 10 120.237 122.412 -2.175 1
1 31 . 10 1 1 A 10 10 GLU H H 10 8.182 9.025 -0.843 1
1 32 . 10 1 1 A 10 10 GLU CA C 10 56.937 55.269 1.668 1
1 33 . 10 1 1 A 10 10 GLU HA H 10 4.144 5.022 -0.878 1
1 34 . 10 1 1 A 10 10 GLU CB C 10 30.378 31.022 -0.644 1
1 38 . 10 1 1 A 10 10 GLU C C 10 176.184 175.240 0.944 1
1 41 . 10 1 1 A 11 11 LYS N N 11 121.342 125.673 -4.331 1
1 42 . 10 1 1 A 11 11 LYS H H 11 8.229 8.619 -0.390 1
1 43 . 10 1 1 A 11 11 LYS CA C 11 53.834 52.797 1.037 1
1 44 . 10 1 1 A 11 11 LYS HA H 11 4.484 4.737 -0.253 1
1 45 . 10 1 1 A 11 11 LYS CB C 11 32.967 33.913 -0.946 1
1 57 . 10 1 1 A 12 12 PRO CA C 12 63.387 64.905 -1.518 1
1 58 . 10 1 1 A 12 12 PRO HA H 12 4.316 4.274 0.042 1
1 59 . 10 1 1 A 12 12 PRO CB C 12 32.242 31.631 0.611 1
1 65 . 10 1 1 A 12 12 PRO C C 12 176.139 175.867 0.272 1
1 69 . 10 1 1 A 13 13 TYR N N 13 118.364 118.146 0.218 1
1 70 . 10 1 1 A 13 13 TYR H H 13 7.941 7.752 0.189 1
1 71 . 10 1 1 A 13 13 TYR CA C 13 57.734 57.894 -0.160 1
1 72 . 10 1 1 A 13 13 TYR HA H 13 4.583 4.890 -0.307 1
1 73 . 10 1 1 A 13 13 TYR CB C 13 38.810 39.943 -1.133 1
1 83 . 10 1 1 A 13 13 TYR C C 13 174.591 175.978 -1.387 1
1 85 . 10 1 1 A 14 14 ASN N N 14 121.715 120.745 0.970 1
1 86 . 10 1 1 A 14 14 ASN H H 14 8.714 8.954 -0.240 1
1 87 . 10 1 1 A 14 14 ASN CA C 14 52.503 52.416 0.087 1
1 88 . 10 1 1 A 14 14 ASN HA H 14 5.345 5.635 -0.290 1
1 89 . 10 1 1 A 14 14 ASN CB C 14 41.570 41.577 -0.007 1
1 94 . 10 1 1 A 14 14 ASN C C 14 173.463 174.502 -1.039 1
1 96 . 10 1 1 A 15 15 CYS N N 15 124.857 125.311 -0.454 1
1 97 . 10 1 1 A 15 15 CYS H H 15 9.202 8.784 0.418 1
1 98 . 10 1 1 A 15 15 CYS CA C 15 59.089 60.313 -1.224 1
1 99 . 10 1 1 A 15 15 CYS HA H 15 4.627 4.398 0.229 1
1 100 . 10 1 1 A 15 15 CYS CB C 15 29.702 28.586 1.116 1
1 102 . 10 1 1 A 15 15 CYS C C 15 177.005 174.809 2.196 1
1 104 . 10 1 1 A 16 16 LYS N N 16 131.671 128.097 3.574 1
1 105 . 10 1 1 A 16 16 LYS H H 16 9.303 8.868 0.435 1
1 106 . 10 1 1 A 16 16 LYS CA C 16 58.569 57.138 1.431 1
1 107 . 10 1 1 A 16 16 LYS HA H 16 4.162 4.335 -0.173 1
1 108 . 10 1 1 A 16 16 LYS CB C 16 32.192 32.374 -0.182 1
1 116 . 10 1 1 A 16 16 LYS C C 16 177.048 178.264 -1.216 1
1 121 . 10 1 1 A 17 17 GLU N N 17 119.887 119.812 0.075 1
1 122 . 10 1 1 A 17 17 GLU H H 17 8.581 8.269 0.312 1
1 123 . 10 1 1 A 17 17 GLU CA C 17 58.433 59.069 -0.636 1
1 124 . 10 1 1 A 17 17 GLU HA H 17 4.186 3.897 0.289 1
1 125 . 10 1 1 A 17 17 GLU CB C 17 29.328 28.677 0.651 1
1 129 . 10 1 1 A 17 17 GLU C C 17 177.219 178.550 -1.331 1
1 132 . 10 1 1 A 18 18 CYS N N 18 114.441 114.995 -0.554 1
1 133 . 10 1 1 A 18 18 CYS H H 18 7.918 7.829 0.089 1
1 134 . 10 1 1 A 18 18 CYS CA C 18 58.398 59.772 -1.374 1
1 135 . 10 1 1 A 18 18 CYS HA H 18 5.178 4.550 0.628 1
1 136 . 10 1 1 A 18 18 CYS CB C 18 32.515 29.428 3.087 1
1 138 . 10 1 1 A 18 18 CYS C C 18 176.163 175.394 0.769 1
1 140 . 10 1 1 A 19 19 GLY N N 19 113.399 110.053 3.346 1
1 141 . 10 1 1 A 19 19 GLY H H 19 8.276 8.151 0.125 1
1 142 . 10 1 1 A 19 19 GLY CA C 19 46.239 45.544 0.695 1
1 143 . 10 1 1 A 19 19 GLY HA3 H 19 4.238 4.073 0.165 1
1 144 . 10 1 1 A 19 19 GLY C C 19 174.108 174.210 -0.102 1
1 145 . 10 1 1 A 19 19 GLY HA2 H 19 3.895 4.058 -0.163 1
1 146 . 10 1 1 A 20 20 LYS N N 20 122.801 119.368 3.433 1
1 147 . 10 1 1 A 20 20 LYS H H 20 7.927 7.937 -0.010 1
1 148 . 10 1 1 A 20 20 LYS CA C 20 58.073 54.827 3.246 1
1 149 . 10 1 1 A 20 20 LYS HA H 20 4.028 4.719 -0.691 1
1 150 . 10 1 1 A 20 20 LYS CB C 20 33.995 34.447 -0.452 1
1 158 . 10 1 1 A 20 20 LYS C C 20 174.252 175.536 -1.284 1
1 163 . 10 1 1 A 21 21 SER N N 21 115.354 116.256 -0.902 1
1 164 . 10 1 1 A 21 21 SER H H 21 7.753 8.570 -0.817 1
1 165 . 10 1 1 A 21 21 SER CA C 21 56.907 56.802 0.105 1
1 166 . 10 1 1 A 21 21 SER HA H 21 5.264 5.578 -0.314 1
1 167 . 10 1 1 A 21 21 SER CB C 21 65.905 66.180 -0.275 1
1 169 . 10 1 1 A 21 21 SER C C 21 173.109 172.671 0.438 1
1 171 . 10 1 1 A 22 22 PHE N N 22 118.558 121.633 -3.075 1
1 172 . 10 1 1 A 22 22 PHE H H 22 8.756 8.864 -0.108 1
1 173 . 10 1 1 A 22 22 PHE CA C 22 57.139 56.612 0.527 1
1 174 . 10 1 1 A 22 22 PHE HA H 22 4.743 4.948 -0.205 1
1 175 . 10 1 1 A 22 22 PHE CB C 22 43.854 43.416 0.438 1
1 187 . 10 1 1 A 22 22 PHE C C 22 174.812 175.381 -0.569 1
1 189 . 10 1 1 A 23 23 ARG N N 23 121.492 122.542 -1.050 1
1 190 . 10 1 1 A 23 23 ARG H H 23 9.062 8.939 0.123 1
1 191 . 10 1 1 A 23 23 ARG CA C 23 58.297 57.573 0.724 1
1 192 . 10 1 1 A 23 23 ARG HA H 23 4.148 4.318 -0.170 1
1 193 . 10 1 1 A 23 23 ARG CB C 23 30.777 31.151 -0.374 1
1 199 . 10 1 1 A 23 23 ARG C C 23 175.059 175.855 -0.796 1
1 203 . 10 1 1 A 24 24 TRP N N 24 135.582 118.498 17.084 1
1 204 . 10 1 1 A 24 24 TRP H H 24 7.265 7.949 -0.684 1
1 205 . 10 1 1 A 24 24 TRP CA C 24 55.009 57.403 -2.394 1
1 206 . 10 1 1 A 24 24 TRP HA H 24 5.251 4.812 0.439 1
1 207 . 10 1 1 A 24 24 TRP CB C 24 32.664 30.608 2.056 1
1 221 . 10 1 1 A 24 24 TRP C C 24 176.478 177.030 -0.552 1
1 223 . 10 1 1 A 25 25 ALA N N 25 127.796 126.445 1.351 1
1 224 . 10 1 1 A 25 25 ALA H H 25 8.590 8.747 -0.157 1
1 225 . 10 1 1 A 25 25 ALA CA C 25 55.039 55.277 -0.238 1
1 226 . 10 1 1 A 25 25 ALA HA H 25 3.100 3.284 -0.184 1
1 227 . 10 1 1 A 25 25 ALA CB C 25 17.676 18.058 -0.382 1
1 231 . 10 1 1 A 26 26 SER CA C 26 61.568 61.243 0.325 1
1 232 . 10 1 1 A 26 26 SER HA H 26 3.889 4.087 -0.198 1
1 233 . 10 1 1 A 26 26 SER CB C 26 60.859 62.484 -1.625 1
1 235 . 10 1 1 A 26 26 SER C C 26 177.407 176.646 0.761 1
1 237 . 10 1 1 A 27 27 CYS N N 27 122.821 120.327 2.494 1
1 238 . 10 1 1 A 27 27 CYS H H 27 7.093 8.161 -1.068 1
1 239 . 10 1 1 A 27 27 CYS CA C 27 62.747 62.663 0.084 1
1 240 . 10 1 1 A 27 27 CYS HA H 27 4.000 4.026 -0.026 1
1 241 . 10 1 1 A 27 27 CYS CB C 27 28.498 27.110 1.388 1
1 242 . 10 1 1 A 27 27 CYS C C 27 178.084 177.221 0.863 1
1 244 . 10 1 1 A 28 28 LEU N N 28 121.440 122.071 -0.631 1
1 245 . 10 1 1 A 28 28 LEU H H 28 6.965 7.772 -0.807 1
1 246 . 10 1 1 A 28 28 LEU CA C 28 57.672 57.099 0.573 1
1 247 . 10 1 1 A 28 28 LEU HA H 28 3.210 2.673 0.537 1
1 248 . 10 1 1 A 28 28 LEU CB C 28 40.463 41.174 -0.711 1
1 260 . 10 1 1 A 28 28 LEU C C 28 177.411 177.766 -0.355 1
1 262 . 10 1 1 A 29 29 LEU N N 29 119.582 119.778 -0.196 1
1 263 . 10 1 1 A 29 29 LEU H H 29 7.918 7.974 -0.056 1
1 264 . 10 1 1 A 29 29 LEU CA C 29 58.172 58.648 -0.476 1
1 265 . 10 1 1 A 29 29 LEU HA H 29 4.085 3.894 0.191 1
1 266 . 10 1 1 A 29 29 LEU CB C 29 41.634 41.603 0.031 1
1 278 . 10 1 1 A 29 29 LEU C C 29 179.868 178.395 1.473 1
1 280 . 10 1 1 A 30 30 LYS N N 30 117.949 119.120 -1.171 1
1 281 . 10 1 1 A 30 30 LYS H H 30 7.494 8.211 -0.717 1
1 282 . 10 1 1 A 30 30 LYS CA C 30 59.428 59.452 -0.024 1
1 283 . 10 1 1 A 30 30 LYS HA H 30 3.947 3.924 0.023 1
1 284 . 10 1 1 A 30 30 LYS CB C 30 32.538 32.144 0.394 1
1 292 . 10 1 1 A 30 30 LYS C C 30 179.147 178.675 0.472 1
1 297 . 10 1 1 A 31 31 HIS N N 31 118.910 119.394 -0.484 1
1 298 . 10 1 1 A 31 31 HIS H H 31 7.688 7.602 0.086 1
1 299 . 10 1 1 A 31 31 HIS CA C 31 58.850 60.076 -1.226 1
1 300 . 10 1 1 A 31 31 HIS HA H 31 4.237 4.185 0.052 1
1 301 . 10 1 1 A 31 31 HIS CB C 31 28.584 29.431 -0.847 1
1 307 . 10 1 1 A 31 31 HIS C C 31 176.001 177.210 -1.209 1
1 309 . 10 1 1 A 32 32 GLN N N 32 115.428 117.384 -1.956 1
1 310 . 10 1 1 A 32 32 GLN H H 32 8.230 7.952 0.278 1
1 311 . 10 1 1 A 32 32 GLN CA C 32 59.190 58.747 0.443 1
1 312 . 10 1 1 A 32 32 GLN HA H 32 3.706 3.683 0.023 1
1 313 . 10 1 1 A 32 32 GLN CB C 32 28.135 28.247 -0.112 1
1 320 . 10 1 1 A 32 32 GLN C C 32 177.623 178.719 -1.096 1
1 323 . 10 1 1 A 33 33 ARG N N 33 118.204 120.577 -2.373 1
1 324 . 10 1 1 A 33 33 ARG H H 33 7.197 7.835 -0.638 1
1 325 . 10 1 1 A 33 33 ARG CA C 33 58.506 59.017 -0.511 1
1 326 . 10 1 1 A 33 33 ARG HA H 33 4.134 3.915 0.219 1
1 327 . 10 1 1 A 33 33 ARG CB C 33 29.842 29.973 -0.131 1
1 333 . 10 1 1 A 33 33 ARG C C 33 178.649 178.250 0.399 1
1 337 . 10 1 1 A 34 34 VAL N N 34 116.486 116.722 -0.236 1
1 338 . 10 1 1 A 34 34 VAL H H 34 7.902 7.755 0.147 1
1 339 . 10 1 1 A 34 34 VAL CA C 34 64.123 65.425 -1.302 1
1 340 . 10 1 1 A 34 34 VAL HA H 34 3.905 3.689 0.216 1
1 341 . 10 1 1 A 34 34 VAL CB C 34 31.069 31.116 -0.047 1
1 351 . 10 1 1 A 34 34 VAL C C 34 177.281 177.650 -0.369 1
1 352 . 10 1 1 A 35 35 HIS N N 35 117.033 120.714 -3.681 1
1 353 . 10 1 1 A 35 35 HIS H H 35 7.126 7.734 -0.608 1
1 354 . 10 1 1 A 35 35 HIS CA C 35 54.996 58.496 -3.500 1
1 355 . 10 1 1 A 35 35 HIS HA H 35 4.875 4.411 0.464 1
1 356 . 10 1 1 A 35 35 HIS CB C 35 28.704 31.107 -2.403 1
1 362 . 10 1 1 A 35 35 HIS C C 35 175.499 175.380 0.119 1
1 364 . 10 1 1 A 36 36 SER N N 36 114.731 113.288 1.443 1
1 365 . 10 1 1 A 36 36 SER H H 36 7.792 7.654 0.138 1
1 366 . 10 1 1 A 36 36 SER CA C 36 59.098 57.493 1.605 1
1 367 . 10 1 1 A 36 36 SER HA H 36 4.463 4.602 -0.139 1
1 368 . 10 1 1 A 36 36 SER CB C 36 64.002 62.241 1.761 1
1 370 . 10 1 1 A 36 36 SER C C 36 175.139 174.920 0.219 1
1 372 . 10 1 1 A 37 37 GLY N N 37 110.777 112.169 -1.392 1
1 373 . 10 1 1 A 37 37 GLY H H 37 8.316 8.644 -0.328 1
1 374 . 10 1 1 A 37 37 GLY CA C 37 45.362 47.221 -1.859 1
1 375 . 10 1 1 A 37 37 GLY HA3 H 37 4.002 3.774 0.228 1
1 376 . 10 1 1 A 37 37 GLY C C 37 174.036 174.525 -0.489 1
1 377 . 10 1 1 A 37 37 GLY HA2 H 37 4.002 3.766 0.236 1
1 378 . 10 1 1 A 38 38 GLU N N 38 120.515 118.018 2.497 1
1 379 . 10 1 1 A 38 38 GLU H H 38 8.100 7.711 0.389 1
1 380 . 10 1 1 A 38 38 GLU CA C 38 56.424 56.052 0.372 1
1 381 . 10 1 1 A 38 38 GLU HA H 38 4.269 4.711 -0.442 1
1 382 . 10 1 1 A 38 38 GLU CB C 38 30.494 33.303 -2.809 1
1 386 . 10 1 1 A 38 38 GLU C C 38 176.249 174.559 1.690 1
1 389 . 10 1 1 A 39 39 LYS N N 39 123.799 125.513 -1.714 1
1 390 . 10 1 1 A 39 39 LYS H H 39 8.409 8.843 -0.434 1
1 391 . 10 1 1 A 39 39 LYS CA C 39 54.163 53.343 0.820 1
1 392 . 10 1 1 A 39 39 LYS HA H 39 4.622 4.899 -0.277 1
1 393 . 10 1 1 A 39 39 LYS CB C 39 32.492 35.440 -2.948 1
1 405 . 10 1 1 A 40 40 PRO CA C 40 63.257 64.911 -1.654 1
1 406 . 10 1 1 A 40 40 PRO HA H 40 4.475 4.439 0.036 1
1 407 . 10 1 1 A 40 40 PRO CB C 40 32.139 32.031 0.108 1
1 416 . 10 1 1 A 45 45 SER CA C 45 58.385 59.474 -1.089 1
1 417 . 10 1 1 A 45 45 SER HA H 45 4.458 4.199 0.259 1
1 418 . 10 1 1 A 45 45 SER CB C 45 64.084 61.843 2.241 1
1 420 . 10 1 1 A 45 45 SER C C 45 173.896 174.520 -0.624 1
1 1 . 11 1 1 A 6 6 SER CA C 6 58.575 55.980 2.595 1
1 2 . 11 1 1 A 6 6 SER HA H 6 4.453 5.052 -0.599 1
1 3 . 11 1 1 A 6 6 SER CB C 6 63.817 66.406 -2.589 1
1 5 . 11 1 1 A 6 6 SER C C 6 175.107 174.028 1.079 1
1 7 . 11 1 1 A 7 7 GLY N N 7 110.865 111.907 -1.042 1
1 8 . 11 1 1 A 7 7 GLY H H 7 8.455 8.683 -0.228 1
1 9 . 11 1 1 A 7 7 GLY CA C 7 45.447 45.932 -0.485 1
1 10 . 11 1 1 A 7 7 GLY HA3 H 7 4.006 3.952 0.054 1
1 11 . 11 1 1 A 7 7 GLY C C 7 174.454 173.736 0.718 1
1 12 . 11 1 1 A 7 7 GLY HA2 H 7 4.006 3.945 0.061 1
1 13 . 11 1 1 A 8 8 THR N N 8 112.847 118.384 -5.537 1
1 14 . 11 1 1 A 8 8 THR H H 8 8.139 8.422 -0.283 1
1 15 . 11 1 1 A 8 8 THR CA C 8 61.905 60.683 1.222 1
1 16 . 11 1 1 A 8 8 THR HA H 8 4.353 4.881 -0.528 1
1 17 . 11 1 1 A 8 8 THR CB C 8 69.843 70.853 -1.010 1
1 23 . 11 1 1 A 8 8 THR C C 8 175.228 172.953 2.275 1
1 24 . 11 1 1 A 9 9 GLY N N 9 110.821 112.226 -1.405 1
1 25 . 11 1 1 A 9 9 GLY H H 9 8.421 8.490 -0.069 1
1 26 . 11 1 1 A 9 9 GLY CA C 9 45.254 45.523 -0.269 1
1 27 . 11 1 1 A 9 9 GLY HA3 H 9 3.949 4.131 -0.182 1
1 28 . 11 1 1 A 9 9 GLY C C 9 174.011 172.345 1.666 1
1 29 . 11 1 1 A 9 9 GLY HA2 H 9 3.892 4.123 -0.231 1
1 30 . 11 1 1 A 10 10 GLU N N 10 120.237 122.481 -2.244 1
1 31 . 11 1 1 A 10 10 GLU H H 10 8.182 8.380 -0.198 1
1 32 . 11 1 1 A 10 10 GLU CA C 10 56.937 56.304 0.633 1
1 33 . 11 1 1 A 10 10 GLU HA H 10 4.144 4.529 -0.385 1
1 34 . 11 1 1 A 10 10 GLU CB C 10 30.378 30.160 0.218 1
1 38 . 11 1 1 A 10 10 GLU C C 10 176.184 175.933 0.251 1
1 41 . 11 1 1 A 11 11 LYS N N 11 121.342 125.209 -3.867 1
1 42 . 11 1 1 A 11 11 LYS H H 11 8.229 8.328 -0.099 1
1 43 . 11 1 1 A 11 11 LYS CA C 11 53.834 53.055 0.779 1
1 44 . 11 1 1 A 11 11 LYS HA H 11 4.484 4.733 -0.249 1
1 45 . 11 1 1 A 11 11 LYS CB C 11 32.967 34.020 -1.053 1
1 57 . 11 1 1 A 12 12 PRO CA C 12 63.387 64.882 -1.495 1
1 58 . 11 1 1 A 12 12 PRO HA H 12 4.316 4.278 0.038 1
1 59 . 11 1 1 A 12 12 PRO CB C 12 32.242 31.656 0.586 1
1 65 . 11 1 1 A 12 12 PRO C C 12 176.139 175.908 0.231 1
1 69 . 11 1 1 A 13 13 TYR N N 13 118.364 118.172 0.192 1
1 70 . 11 1 1 A 13 13 TYR H H 13 7.941 7.790 0.151 1
1 71 . 11 1 1 A 13 13 TYR CA C 13 57.734 58.116 -0.382 1
1 72 . 11 1 1 A 13 13 TYR HA H 13 4.583 4.827 -0.244 1
1 73 . 11 1 1 A 13 13 TYR CB C 13 38.810 40.350 -1.540 1
1 83 . 11 1 1 A 13 13 TYR C C 13 174.591 176.249 -1.658 1
1 85 . 11 1 1 A 14 14 ASN N N 14 121.715 120.108 1.607 1
1 86 . 11 1 1 A 14 14 ASN H H 14 8.714 9.032 -0.318 1
1 87 . 11 1 1 A 14 14 ASN CA C 14 52.503 52.353 0.150 1
1 88 . 11 1 1 A 14 14 ASN HA H 14 5.345 5.509 -0.164 1
1 89 . 11 1 1 A 14 14 ASN CB C 14 41.570 41.993 -0.423 1
1 94 . 11 1 1 A 14 14 ASN C C 14 173.463 174.590 -1.127 1
1 96 . 11 1 1 A 15 15 CYS N N 15 124.857 124.632 0.225 1
1 97 . 11 1 1 A 15 15 CYS H H 15 9.202 8.974 0.228 1
1 98 . 11 1 1 A 15 15 CYS CA C 15 59.089 59.678 -0.589 1
1 99 . 11 1 1 A 15 15 CYS HA H 15 4.627 4.694 -0.067 1
1 100 . 11 1 1 A 15 15 CYS CB C 15 29.702 28.590 1.112 1
1 102 . 11 1 1 A 15 15 CYS C C 15 177.005 175.332 1.673 1
1 104 . 11 1 1 A 16 16 LYS N N 16 131.671 127.990 3.681 1
1 105 . 11 1 1 A 16 16 LYS H H 16 9.303 8.850 0.453 1
1 106 . 11 1 1 A 16 16 LYS CA C 16 58.569 59.045 -0.476 1
1 107 . 11 1 1 A 16 16 LYS HA H 16 4.162 4.136 0.026 1
1 108 . 11 1 1 A 16 16 LYS CB C 16 32.192 32.474 -0.282 1
1 116 . 11 1 1 A 16 16 LYS C C 16 177.048 178.875 -1.827 1
1 121 . 11 1 1 A 17 17 GLU N N 17 119.887 119.752 0.135 1
1 122 . 11 1 1 A 17 17 GLU H H 17 8.581 8.458 0.123 1
1 123 . 11 1 1 A 17 17 GLU CA C 17 58.433 59.026 -0.593 1
1 124 . 11 1 1 A 17 17 GLU HA H 17 4.186 3.868 0.318 1
1 125 . 11 1 1 A 17 17 GLU CB C 17 29.328 28.545 0.783 1
1 129 . 11 1 1 A 17 17 GLU C C 17 177.219 178.392 -1.173 1
1 132 . 11 1 1 A 18 18 CYS N N 18 114.441 114.801 -0.360 1
1 133 . 11 1 1 A 18 18 CYS H H 18 7.918 7.756 0.162 1
1 134 . 11 1 1 A 18 18 CYS CA C 18 58.398 59.741 -1.343 1
1 135 . 11 1 1 A 18 18 CYS HA H 18 5.178 4.590 0.588 1
1 136 . 11 1 1 A 18 18 CYS CB C 18 32.515 29.554 2.961 1
1 138 . 11 1 1 A 18 18 CYS C C 18 176.163 175.232 0.931 1
1 140 . 11 1 1 A 19 19 GLY N N 19 113.399 110.399 3.000 1
1 141 . 11 1 1 A 19 19 GLY H H 19 8.276 7.824 0.452 1
1 142 . 11 1 1 A 19 19 GLY CA C 19 46.239 45.238 1.001 1
1 143 . 11 1 1 A 19 19 GLY HA3 H 19 4.238 4.076 0.162 1
1 144 . 11 1 1 A 19 19 GLY C C 19 174.108 174.358 -0.250 1
1 145 . 11 1 1 A 19 19 GLY HA2 H 19 3.895 4.065 -0.170 1
1 146 . 11 1 1 A 20 20 LYS N N 20 122.801 119.686 3.115 1
1 147 . 11 1 1 A 20 20 LYS H H 20 7.927 7.964 -0.037 1
1 148 . 11 1 1 A 20 20 LYS CA C 20 58.073 55.469 2.604 1
1 149 . 11 1 1 A 20 20 LYS HA H 20 4.028 4.545 -0.517 1
1 150 . 11 1 1 A 20 20 LYS CB C 20 33.995 34.212 -0.217 1
1 158 . 11 1 1 A 20 20 LYS C C 20 174.252 174.956 -0.704 1
1 163 . 11 1 1 A 21 21 SER N N 21 115.354 111.985 3.369 1
1 164 . 11 1 1 A 21 21 SER H H 21 7.753 8.272 -0.519 1
1 165 . 11 1 1 A 21 21 SER CA C 21 56.907 56.896 0.011 1
1 166 . 11 1 1 A 21 21 SER HA H 21 5.264 5.283 -0.019 1
1 167 . 11 1 1 A 21 21 SER CB C 21 65.905 66.275 -0.370 1
1 169 . 11 1 1 A 21 21 SER C C 21 173.109 172.534 0.575 1
1 171 . 11 1 1 A 22 22 PHE N N 22 118.558 118.507 0.051 1
1 172 . 11 1 1 A 22 22 PHE H H 22 8.756 8.607 0.149 1
1 173 . 11 1 1 A 22 22 PHE CA C 22 57.139 56.674 0.465 1
1 174 . 11 1 1 A 22 22 PHE HA H 22 4.743 4.948 -0.205 1
1 175 . 11 1 1 A 22 22 PHE CB C 22 43.854 43.866 -0.012 1
1 187 . 11 1 1 A 22 22 PHE C C 22 174.812 175.765 -0.953 1
1 189 . 11 1 1 A 23 23 ARG N N 23 121.492 120.791 0.701 1
1 190 . 11 1 1 A 23 23 ARG H H 23 9.062 9.109 -0.047 1
1 191 . 11 1 1 A 23 23 ARG CA C 23 58.297 58.298 -0.001 1
1 192 . 11 1 1 A 23 23 ARG HA H 23 4.148 4.377 -0.229 1
1 193 . 11 1 1 A 23 23 ARG CB C 23 30.777 31.008 -0.231 1
1 199 . 11 1 1 A 23 23 ARG C C 23 175.059 176.778 -1.719 1
1 203 . 11 1 1 A 24 24 TRP N N 24 135.582 119.010 16.572 1
1 204 . 11 1 1 A 24 24 TRP H H 24 7.265 7.833 -0.568 1
1 205 . 11 1 1 A 24 24 TRP CA C 24 55.009 57.200 -2.191 1
1 206 . 11 1 1 A 24 24 TRP HA H 24 5.251 4.913 0.338 1
1 207 . 11 1 1 A 24 24 TRP CB C 24 32.664 30.736 1.928 1
1 221 . 11 1 1 A 24 24 TRP C C 24 176.478 176.079 0.399 1
1 223 . 11 1 1 A 25 25 ALA N N 25 127.796 123.591 4.205 1
1 224 . 11 1 1 A 25 25 ALA H H 25 8.590 8.851 -0.261 1
1 225 . 11 1 1 A 25 25 ALA CA C 25 55.039 53.968 1.071 1
1 226 . 11 1 1 A 25 25 ALA HA H 25 3.100 3.052 0.048 1
1 227 . 11 1 1 A 25 25 ALA CB C 25 17.676 19.207 -1.531 1
1 231 . 11 1 1 A 26 26 SER CA C 26 61.568 61.433 0.135 1
1 232 . 11 1 1 A 26 26 SER HA H 26 3.889 4.142 -0.253 1
1 233 . 11 1 1 A 26 26 SER CB C 26 60.859 62.689 -1.830 1
1 235 . 11 1 1 A 26 26 SER C C 26 177.407 176.868 0.539 1
1 237 . 11 1 1 A 27 27 CYS N N 27 122.821 118.391 4.430 1
1 238 . 11 1 1 A 27 27 CYS H H 27 7.093 8.380 -1.287 1
1 239 . 11 1 1 A 27 27 CYS CA C 27 62.747 61.839 0.908 1
1 240 . 11 1 1 A 27 27 CYS HA H 27 4.000 4.170 -0.170 1
1 241 . 11 1 1 A 27 27 CYS CB C 27 28.498 27.307 1.191 1
1 242 . 11 1 1 A 27 27 CYS C C 27 178.084 176.672 1.412 1
1 244 . 11 1 1 A 28 28 LEU N N 28 121.440 121.735 -0.295 1
1 245 . 11 1 1 A 28 28 LEU H H 28 6.965 7.979 -1.014 1
1 246 . 11 1 1 A 28 28 LEU CA C 28 57.672 57.545 0.127 1
1 247 . 11 1 1 A 28 28 LEU HA H 28 3.210 3.010 0.200 1
1 248 . 11 1 1 A 28 28 LEU CB C 28 40.463 41.277 -0.814 1
1 260 . 11 1 1 A 28 28 LEU C C 28 177.411 177.840 -0.429 1
1 262 . 11 1 1 A 29 29 LEU N N 29 119.582 119.675 -0.093 1
1 263 . 11 1 1 A 29 29 LEU H H 29 7.918 7.749 0.169 1
1 264 . 11 1 1 A 29 29 LEU CA C 29 58.172 58.449 -0.277 1
1 265 . 11 1 1 A 29 29 LEU HA H 29 4.085 3.922 0.163 1
1 266 . 11 1 1 A 29 29 LEU CB C 29 41.634 41.415 0.219 1
1 278 . 11 1 1 A 29 29 LEU C C 29 179.868 178.494 1.374 1
1 280 . 11 1 1 A 30 30 LYS N N 30 117.949 118.536 -0.587 1
1 281 . 11 1 1 A 30 30 LYS H H 30 7.494 8.070 -0.576 1
1 282 . 11 1 1 A 30 30 LYS CA C 30 59.428 58.822 0.606 1
1 283 . 11 1 1 A 30 30 LYS HA H 30 3.947 3.947 0.000 1
1 284 . 11 1 1 A 30 30 LYS CB C 30 32.538 31.976 0.562 1
1 292 . 11 1 1 A 30 30 LYS C C 30 179.147 178.841 0.306 1
1 297 . 11 1 1 A 31 31 HIS N N 31 118.910 119.904 -0.994 1
1 298 . 11 1 1 A 31 31 HIS H H 31 7.688 7.831 -0.143 1
1 299 . 11 1 1 A 31 31 HIS CA C 31 58.850 59.952 -1.102 1
1 300 . 11 1 1 A 31 31 HIS HA H 31 4.237 4.160 0.077 1
1 301 . 11 1 1 A 31 31 HIS CB C 31 28.584 29.452 -0.868 1
1 307 . 11 1 1 A 31 31 HIS C C 31 176.001 177.239 -1.238 1
1 309 . 11 1 1 A 32 32 GLN N N 32 115.428 117.324 -1.896 1
1 310 . 11 1 1 A 32 32 GLN H H 32 8.230 8.306 -0.076 1
1 311 . 11 1 1 A 32 32 GLN CA C 32 59.190 59.076 0.114 1
1 312 . 11 1 1 A 32 32 GLN HA H 32 3.706 3.759 -0.053 1
1 313 . 11 1 1 A 32 32 GLN CB C 32 28.135 28.263 -0.128 1
1 320 . 11 1 1 A 32 32 GLN C C 32 177.623 178.667 -1.044 1
1 323 . 11 1 1 A 33 33 ARG N N 33 118.204 120.376 -2.172 1
1 324 . 11 1 1 A 33 33 ARG H H 33 7.197 7.782 -0.585 1
1 325 . 11 1 1 A 33 33 ARG CA C 33 58.506 58.951 -0.445 1
1 326 . 11 1 1 A 33 33 ARG HA H 33 4.134 4.165 -0.031 1
1 327 . 11 1 1 A 33 33 ARG CB C 33 29.842 29.834 0.008 1
1 333 . 11 1 1 A 33 33 ARG C C 33 178.649 178.249 0.400 1
1 337 . 11 1 1 A 34 34 VAL N N 34 116.486 117.182 -0.696 1
1 338 . 11 1 1 A 34 34 VAL H H 34 7.902 7.712 0.190 1
1 339 . 11 1 1 A 34 34 VAL CA C 34 64.123 65.232 -1.109 1
1 340 . 11 1 1 A 34 34 VAL HA H 34 3.905 3.713 0.192 1
1 341 . 11 1 1 A 34 34 VAL CB C 34 31.069 30.971 0.098 1
1 351 . 11 1 1 A 34 34 VAL C C 34 177.281 177.077 0.204 1
1 352 . 11 1 1 A 35 35 HIS N N 35 117.033 119.897 -2.864 1
1 353 . 11 1 1 A 35 35 HIS H H 35 7.126 7.651 -0.525 1
1 354 . 11 1 1 A 35 35 HIS CA C 35 54.996 55.234 -0.238 1
1 355 . 11 1 1 A 35 35 HIS HA H 35 4.875 4.681 0.194 1
1 356 . 11 1 1 A 35 35 HIS CB C 35 28.704 29.131 -0.427 1
1 362 . 11 1 1 A 35 35 HIS C C 35 175.499 174.438 1.061 1
1 364 . 11 1 1 A 36 36 SER N N 36 114.731 116.455 -1.724 1
1 365 . 11 1 1 A 36 36 SER H H 36 7.792 7.898 -0.106 1
1 366 . 11 1 1 A 36 36 SER CA C 36 59.098 57.533 1.565 1
1 367 . 11 1 1 A 36 36 SER HA H 36 4.463 4.697 -0.234 1
1 368 . 11 1 1 A 36 36 SER CB C 36 64.002 64.239 -0.237 1
1 370 . 11 1 1 A 36 36 SER C C 36 175.139 174.967 0.172 1
1 372 . 11 1 1 A 37 37 GLY N N 37 110.777 111.661 -0.884 1
1 373 . 11 1 1 A 37 37 GLY H H 37 8.316 8.507 -0.191 1
1 374 . 11 1 1 A 37 37 GLY CA C 37 45.362 45.331 0.031 1
1 375 . 11 1 1 A 37 37 GLY HA3 H 37 4.002 4.087 -0.085 1
1 376 . 11 1 1 A 37 37 GLY C C 37 174.036 175.302 -1.266 1
1 377 . 11 1 1 A 37 37 GLY HA2 H 37 4.002 4.084 -0.082 1
1 378 . 11 1 1 A 38 38 GLU N N 38 120.515 118.551 1.964 1
1 379 . 11 1 1 A 38 38 GLU H H 38 8.100 8.455 -0.355 1
1 380 . 11 1 1 A 38 38 GLU CA C 38 56.424 55.408 1.016 1
1 381 . 11 1 1 A 38 38 GLU HA H 38 4.269 4.666 -0.397 1
1 382 . 11 1 1 A 38 38 GLU CB C 38 30.494 29.891 0.603 1
1 386 . 11 1 1 A 38 38 GLU C C 38 176.249 175.953 0.296 1
1 389 . 11 1 1 A 39 39 LYS N N 39 123.799 119.625 4.174 1
1 390 . 11 1 1 A 39 39 LYS H H 39 8.409 7.482 0.927 1
1 391 . 11 1 1 A 39 39 LYS CA C 39 54.163 52.984 1.179 1
1 392 . 11 1 1 A 39 39 LYS HA H 39 4.622 4.751 -0.129 1
1 393 . 11 1 1 A 39 39 LYS CB C 39 32.492 34.241 -1.749 1
1 405 . 11 1 1 A 40 40 PRO CA C 40 63.257 65.059 -1.802 1
1 406 . 11 1 1 A 40 40 PRO HA H 40 4.475 4.396 0.079 1
1 407 . 11 1 1 A 40 40 PRO CB C 40 32.139 32.020 0.119 1
1 416 . 11 1 1 A 45 45 SER CA C 45 58.385 57.446 0.939 1
1 417 . 11 1 1 A 45 45 SER HA H 45 4.458 4.936 -0.478 1
1 418 . 11 1 1 A 45 45 SER CB C 45 64.084 65.066 -0.982 1
1 420 . 11 1 1 A 45 45 SER C C 45 173.896 174.442 -0.546 1
1 1 . 12 1 1 A 6 6 SER CA C 6 58.575 56.310 2.265 1
1 2 . 12 1 1 A 6 6 SER HA H 6 4.453 5.316 -0.863 1
1 3 . 12 1 1 A 6 6 SER CB C 6 63.817 65.986 -2.169 1
1 5 . 12 1 1 A 6 6 SER C C 6 175.107 173.801 1.306 1
1 7 . 12 1 1 A 7 7 GLY N N 7 110.865 107.853 3.012 1
1 8 . 12 1 1 A 7 7 GLY H H 7 8.455 8.356 0.099 1
1 9 . 12 1 1 A 7 7 GLY CA C 7 45.447 45.705 -0.258 1
1 10 . 12 1 1 A 7 7 GLY HA3 H 7 4.006 4.107 -0.101 1
1 11 . 12 1 1 A 7 7 GLY C C 7 174.454 172.063 2.391 1
1 12 . 12 1 1 A 7 7 GLY HA2 H 7 4.006 4.105 -0.099 1
1 13 . 12 1 1 A 8 8 THR N N 8 112.847 117.753 -4.906 1
1 14 . 12 1 1 A 8 8 THR H H 8 8.139 8.695 -0.556 1
1 15 . 12 1 1 A 8 8 THR CA C 8 61.905 59.652 2.253 1
1 16 . 12 1 1 A 8 8 THR HA H 8 4.353 5.055 -0.702 1
1 17 . 12 1 1 A 8 8 THR CB C 8 69.843 72.051 -2.208 1
1 23 . 12 1 1 A 8 8 THR C C 8 175.228 172.994 2.234 1
1 24 . 12 1 1 A 9 9 GLY N N 9 110.821 114.603 -3.782 1
1 25 . 12 1 1 A 9 9 GLY H H 9 8.421 8.712 -0.291 1
1 26 . 12 1 1 A 9 9 GLY CA C 9 45.254 44.300 0.954 1
1 27 . 12 1 1 A 9 9 GLY HA3 H 9 3.949 4.081 -0.132 1
1 28 . 12 1 1 A 9 9 GLY C C 9 174.011 172.887 1.124 1
1 29 . 12 1 1 A 9 9 GLY HA2 H 9 3.892 4.074 -0.182 1
1 30 . 12 1 1 A 10 10 GLU N N 10 120.237 120.310 -0.073 1
1 31 . 12 1 1 A 10 10 GLU H H 10 8.182 8.593 -0.411 1
1 32 . 12 1 1 A 10 10 GLU CA C 10 56.937 54.955 1.982 1
1 33 . 12 1 1 A 10 10 GLU HA H 10 4.144 5.042 -0.898 1
1 34 . 12 1 1 A 10 10 GLU CB C 10 30.378 32.417 -2.039 1
1 38 . 12 1 1 A 10 10 GLU C C 10 176.184 175.054 1.130 1
1 41 . 12 1 1 A 11 11 LYS N N 11 121.342 124.539 -3.197 1
1 42 . 12 1 1 A 11 11 LYS H H 11 8.229 8.457 -0.228 1
1 43 . 12 1 1 A 11 11 LYS CA C 11 53.834 53.039 0.795 1
1 44 . 12 1 1 A 11 11 LYS HA H 11 4.484 4.815 -0.331 1
1 45 . 12 1 1 A 11 11 LYS CB C 11 32.967 34.218 -1.251 1
1 57 . 12 1 1 A 12 12 PRO CA C 12 63.387 64.745 -1.358 1
1 58 . 12 1 1 A 12 12 PRO HA H 12 4.316 4.314 0.002 1
1 59 . 12 1 1 A 12 12 PRO CB C 12 32.242 31.792 0.450 1
1 65 . 12 1 1 A 12 12 PRO C C 12 176.139 175.893 0.246 1
1 69 . 12 1 1 A 13 13 TYR N N 13 118.364 118.414 -0.050 1
1 70 . 12 1 1 A 13 13 TYR H H 13 7.941 7.230 0.711 1
1 71 . 12 1 1 A 13 13 TYR CA C 13 57.734 57.886 -0.152 1
1 72 . 12 1 1 A 13 13 TYR HA H 13 4.583 4.890 -0.307 1
1 73 . 12 1 1 A 13 13 TYR CB C 13 38.810 40.095 -1.285 1
1 83 . 12 1 1 A 13 13 TYR C C 13 174.591 176.021 -1.430 1
1 85 . 12 1 1 A 14 14 ASN N N 14 121.715 119.956 1.759 1
1 86 . 12 1 1 A 14 14 ASN H H 14 8.714 8.994 -0.280 1
1 87 . 12 1 1 A 14 14 ASN CA C 14 52.503 52.269 0.234 1
1 88 . 12 1 1 A 14 14 ASN HA H 14 5.345 5.662 -0.317 1
1 89 . 12 1 1 A 14 14 ASN CB C 14 41.570 41.829 -0.259 1
1 94 . 12 1 1 A 14 14 ASN C C 14 173.463 174.232 -0.769 1
1 96 . 12 1 1 A 15 15 CYS N N 15 124.857 125.033 -0.176 1
1 97 . 12 1 1 A 15 15 CYS H H 15 9.202 9.098 0.104 1
1 98 . 12 1 1 A 15 15 CYS CA C 15 59.089 59.652 -0.563 1
1 99 . 12 1 1 A 15 15 CYS HA H 15 4.627 4.564 0.063 1
1 100 . 12 1 1 A 15 15 CYS CB C 15 29.702 28.976 0.726 1
1 102 . 12 1 1 A 15 15 CYS C C 15 177.005 174.774 2.231 1
1 104 . 12 1 1 A 16 16 LYS N N 16 131.671 125.732 5.939 1
1 105 . 12 1 1 A 16 16 LYS H H 16 9.303 8.925 0.378 1
1 106 . 12 1 1 A 16 16 LYS CA C 16 58.569 57.812 0.757 1
1 107 . 12 1 1 A 16 16 LYS HA H 16 4.162 4.433 -0.271 1
1 108 . 12 1 1 A 16 16 LYS CB C 16 32.192 33.312 -1.120 1
1 116 . 12 1 1 A 16 16 LYS C C 16 177.048 178.712 -1.664 1
1 121 . 12 1 1 A 17 17 GLU N N 17 119.887 118.730 1.157 1
1 122 . 12 1 1 A 17 17 GLU H H 17 8.581 8.177 0.404 1
1 123 . 12 1 1 A 17 17 GLU CA C 17 58.433 59.030 -0.597 1
1 124 . 12 1 1 A 17 17 GLU HA H 17 4.186 3.906 0.280 1
1 125 . 12 1 1 A 17 17 GLU CB C 17 29.328 28.453 0.875 1
1 129 . 12 1 1 A 17 17 GLU C C 17 177.219 178.263 -1.044 1
1 132 . 12 1 1 A 18 18 CYS N N 18 114.441 114.753 -0.312 1
1 133 . 12 1 1 A 18 18 CYS H H 18 7.918 7.325 0.593 1
1 134 . 12 1 1 A 18 18 CYS CA C 18 58.398 59.688 -1.290 1
1 135 . 12 1 1 A 18 18 CYS HA H 18 5.178 4.612 0.566 1
1 136 . 12 1 1 A 18 18 CYS CB C 18 32.515 29.595 2.920 1
1 138 . 12 1 1 A 18 18 CYS C C 18 176.163 175.390 0.773 1
1 140 . 12 1 1 A 19 19 GLY N N 19 113.399 110.467 2.932 1
1 141 . 12 1 1 A 19 19 GLY H H 19 8.276 8.316 -0.040 1
1 142 . 12 1 1 A 19 19 GLY CA C 19 46.239 45.446 0.793 1
1 143 . 12 1 1 A 19 19 GLY HA3 H 19 4.238 4.041 0.197 1
1 144 . 12 1 1 A 19 19 GLY C C 19 174.108 174.640 -0.532 1
1 145 . 12 1 1 A 19 19 GLY HA2 H 19 3.895 4.024 -0.129 1
1 146 . 12 1 1 A 20 20 LYS N N 20 122.801 120.420 2.381 1
1 147 . 12 1 1 A 20 20 LYS H H 20 7.927 7.442 0.485 1
1 148 . 12 1 1 A 20 20 LYS CA C 20 58.073 55.896 2.177 1
1 149 . 12 1 1 A 20 20 LYS HA H 20 4.028 4.468 -0.440 1
1 150 . 12 1 1 A 20 20 LYS CB C 20 33.995 34.230 -0.235 1
1 158 . 12 1 1 A 20 20 LYS C C 20 174.252 175.329 -1.077 1
1 163 . 12 1 1 A 21 21 SER N N 21 115.354 115.269 0.085 1
1 164 . 12 1 1 A 21 21 SER H H 21 7.753 8.235 -0.482 1
1 165 . 12 1 1 A 21 21 SER CA C 21 56.907 57.112 -0.205 1
1 166 . 12 1 1 A 21 21 SER HA H 21 5.264 5.484 -0.220 1
1 167 . 12 1 1 A 21 21 SER CB C 21 65.905 66.181 -0.276 1
1 169 . 12 1 1 A 21 21 SER C C 21 173.109 172.517 0.592 1
1 171 . 12 1 1 A 22 22 PHE N N 22 118.558 121.264 -2.706 1
1 172 . 12 1 1 A 22 22 PHE H H 22 8.756 8.564 0.192 1
1 173 . 12 1 1 A 22 22 PHE CA C 22 57.139 56.716 0.423 1
1 174 . 12 1 1 A 22 22 PHE HA H 22 4.743 4.953 -0.210 1
1 175 . 12 1 1 A 22 22 PHE CB C 22 43.854 43.646 0.208 1
1 187 . 12 1 1 A 22 22 PHE C C 22 174.812 175.635 -0.823 1
1 189 . 12 1 1 A 23 23 ARG N N 23 121.492 120.957 0.535 1
1 190 . 12 1 1 A 23 23 ARG H H 23 9.062 9.117 -0.055 1
1 191 . 12 1 1 A 23 23 ARG CA C 23 58.297 57.806 0.491 1
1 192 . 12 1 1 A 23 23 ARG HA H 23 4.148 4.404 -0.256 1
1 193 . 12 1 1 A 23 23 ARG CB C 23 30.777 30.841 -0.064 1
1 199 . 12 1 1 A 23 23 ARG C C 23 175.059 176.477 -1.418 1
1 203 . 12 1 1 A 24 24 TRP N N 24 135.582 118.246 17.336 1
1 204 . 12 1 1 A 24 24 TRP H H 24 7.265 8.012 -0.747 1
1 205 . 12 1 1 A 24 24 TRP CA C 24 55.009 56.972 -1.963 1
1 206 . 12 1 1 A 24 24 TRP HA H 24 5.251 4.893 0.358 1
1 207 . 12 1 1 A 24 24 TRP CB C 24 32.664 31.819 0.845 1
1 221 . 12 1 1 A 24 24 TRP C C 24 176.478 176.433 0.045 1
1 223 . 12 1 1 A 25 25 ALA N N 25 127.796 125.802 1.994 1
1 224 . 12 1 1 A 25 25 ALA H H 25 8.590 8.973 -0.383 1
1 225 . 12 1 1 A 25 25 ALA CA C 25 55.039 55.363 -0.324 1
1 226 . 12 1 1 A 25 25 ALA HA H 25 3.100 3.550 -0.450 1
1 227 . 12 1 1 A 25 25 ALA CB C 25 17.676 18.186 -0.510 1
1 231 . 12 1 1 A 26 26 SER CA C 26 61.568 61.189 0.379 1
1 232 . 12 1 1 A 26 26 SER HA H 26 3.889 4.082 -0.193 1
1 233 . 12 1 1 A 26 26 SER CB C 26 60.859 62.539 -1.680 1
1 235 . 12 1 1 A 26 26 SER C C 26 177.407 176.786 0.621 1
1 237 . 12 1 1 A 27 27 CYS N N 27 122.821 119.534 3.287 1
1 238 . 12 1 1 A 27 27 CYS H H 27 7.093 8.409 -1.316 1
1 239 . 12 1 1 A 27 27 CYS CA C 27 62.747 63.304 -0.557 1
1 240 . 12 1 1 A 27 27 CYS HA H 27 4.000 4.024 -0.024 1
1 241 . 12 1 1 A 27 27 CYS CB C 27 28.498 27.521 0.977 1
1 242 . 12 1 1 A 27 27 CYS C C 27 178.084 176.334 1.750 1
1 244 . 12 1 1 A 28 28 LEU N N 28 121.440 121.227 0.213 1
1 245 . 12 1 1 A 28 28 LEU H H 28 6.965 7.644 -0.679 1
1 246 . 12 1 1 A 28 28 LEU CA C 28 57.672 56.648 1.024 1
1 247 . 12 1 1 A 28 28 LEU HA H 28 3.210 2.306 0.904 1
1 248 . 12 1 1 A 28 28 LEU CB C 28 40.463 41.684 -1.221 1
1 260 . 12 1 1 A 28 28 LEU C C 28 177.411 177.804 -0.393 1
1 262 . 12 1 1 A 29 29 LEU N N 29 119.582 119.847 -0.265 1
1 263 . 12 1 1 A 29 29 LEU H H 29 7.918 8.116 -0.198 1
1 264 . 12 1 1 A 29 29 LEU CA C 29 58.172 58.412 -0.240 1
1 265 . 12 1 1 A 29 29 LEU HA H 29 4.085 3.885 0.200 1
1 266 . 12 1 1 A 29 29 LEU CB C 29 41.634 41.721 -0.087 1
1 278 . 12 1 1 A 29 29 LEU C C 29 179.868 178.433 1.435 1
1 280 . 12 1 1 A 30 30 LYS N N 30 117.949 119.109 -1.160 1
1 281 . 12 1 1 A 30 30 LYS H H 30 7.494 8.494 -1.000 1
1 282 . 12 1 1 A 30 30 LYS CA C 30 59.428 59.218 0.210 1
1 283 . 12 1 1 A 30 30 LYS HA H 30 3.947 3.911 0.036 1
1 284 . 12 1 1 A 30 30 LYS CB C 30 32.538 32.105 0.433 1
1 292 . 12 1 1 A 30 30 LYS C C 30 179.147 178.783 0.364 1
1 297 . 12 1 1 A 31 31 HIS N N 31 118.910 119.483 -0.573 1
1 298 . 12 1 1 A 31 31 HIS H H 31 7.688 8.016 -0.328 1
1 299 . 12 1 1 A 31 31 HIS CA C 31 58.850 59.296 -0.446 1
1 300 . 12 1 1 A 31 31 HIS HA H 31 4.237 4.206 0.031 1
1 301 . 12 1 1 A 31 31 HIS CB C 31 28.584 29.853 -1.269 1
1 307 . 12 1 1 A 31 31 HIS C C 31 176.001 177.326 -1.325 1
1 309 . 12 1 1 A 32 32 GLN N N 32 115.428 117.182 -1.754 1
1 310 . 12 1 1 A 32 32 GLN H H 32 8.230 8.140 0.090 1
1 311 . 12 1 1 A 32 32 GLN CA C 32 59.190 59.018 0.172 1
1 312 . 12 1 1 A 32 32 GLN HA H 32 3.706 3.666 0.040 1
1 313 . 12 1 1 A 32 32 GLN CB C 32 28.135 28.261 -0.126 1
1 320 . 12 1 1 A 32 32 GLN C C 32 177.623 178.634 -1.011 1
1 323 . 12 1 1 A 33 33 ARG N N 33 118.204 120.189 -1.985 1
1 324 . 12 1 1 A 33 33 ARG H H 33 7.197 7.566 -0.369 1
1 325 . 12 1 1 A 33 33 ARG CA C 33 58.506 59.038 -0.532 1
1 326 . 12 1 1 A 33 33 ARG HA H 33 4.134 3.945 0.189 1
1 327 . 12 1 1 A 33 33 ARG CB C 33 29.842 29.773 0.069 1
1 333 . 12 1 1 A 33 33 ARG C C 33 178.649 178.363 0.286 1
1 337 . 12 1 1 A 34 34 VAL N N 34 116.486 117.226 -0.740 1
1 338 . 12 1 1 A 34 34 VAL H H 34 7.902 7.965 -0.063 1
1 339 . 12 1 1 A 34 34 VAL CA C 34 64.123 65.670 -1.547 1
1 340 . 12 1 1 A 34 34 VAL HA H 34 3.905 3.754 0.151 1
1 341 . 12 1 1 A 34 34 VAL CB C 34 31.069 30.943 0.126 1
1 351 . 12 1 1 A 34 34 VAL C C 34 177.281 178.268 -0.987 1
1 352 . 12 1 1 A 35 35 HIS N N 35 117.033 120.549 -3.516 1
1 353 . 12 1 1 A 35 35 HIS H H 35 7.126 7.264 -0.138 1
1 354 . 12 1 1 A 35 35 HIS CA C 35 54.996 59.505 -4.509 1
1 355 . 12 1 1 A 35 35 HIS HA H 35 4.875 4.194 0.681 1
1 356 . 12 1 1 A 35 35 HIS CB C 35 28.704 29.414 -0.710 1
1 362 . 12 1 1 A 35 35 HIS C C 35 175.499 174.710 0.789 1
1 364 . 12 1 1 A 36 36 SER N N 36 114.731 112.254 2.477 1
1 365 . 12 1 1 A 36 36 SER H H 36 7.792 7.875 -0.083 1
1 366 . 12 1 1 A 36 36 SER CA C 36 59.098 59.151 -0.053 1
1 367 . 12 1 1 A 36 36 SER HA H 36 4.463 4.120 0.343 1
1 368 . 12 1 1 A 36 36 SER CB C 36 64.002 61.467 2.535 1
1 370 . 12 1 1 A 36 36 SER C C 36 175.139 174.977 0.162 1
1 372 . 12 1 1 A 37 37 GLY N N 37 110.777 107.826 2.951 1
1 373 . 12 1 1 A 37 37 GLY H H 37 8.316 7.863 0.453 1
1 374 . 12 1 1 A 37 37 GLY CA C 37 45.362 47.362 -2.000 1
1 375 . 12 1 1 A 37 37 GLY HA3 H 37 4.002 3.871 0.131 1
1 376 . 12 1 1 A 37 37 GLY C C 37 174.036 174.488 -0.452 1
1 377 . 12 1 1 A 37 37 GLY HA2 H 37 4.002 3.867 0.135 1
1 378 . 12 1 1 A 38 38 GLU N N 38 120.515 118.630 1.885 1
1 379 . 12 1 1 A 38 38 GLU H H 38 8.100 7.785 0.315 1
1 380 . 12 1 1 A 38 38 GLU CA C 38 56.424 55.793 0.631 1
1 381 . 12 1 1 A 38 38 GLU HA H 38 4.269 4.758 -0.489 1
1 382 . 12 1 1 A 38 38 GLU CB C 38 30.494 33.270 -2.776 1
1 386 . 12 1 1 A 38 38 GLU C C 38 176.249 174.506 1.743 1
1 389 . 12 1 1 A 39 39 LYS N N 39 123.799 122.026 1.773 1
1 390 . 12 1 1 A 39 39 LYS H H 39 8.409 8.623 -0.214 1
1 391 . 12 1 1 A 39 39 LYS CA C 39 54.163 53.412 0.751 1
1 392 . 12 1 1 A 39 39 LYS HA H 39 4.622 4.918 -0.296 1
1 393 . 12 1 1 A 39 39 LYS CB C 39 32.492 35.697 -3.205 1
1 405 . 12 1 1 A 40 40 PRO CA C 40 63.257 64.393 -1.136 1
1 406 . 12 1 1 A 40 40 PRO HA H 40 4.475 4.432 0.043 1
1 407 . 12 1 1 A 40 40 PRO CB C 40 32.139 31.796 0.343 1
1 416 . 12 1 1 A 45 45 SER CA C 45 58.385 58.686 -0.301 1
1 417 . 12 1 1 A 45 45 SER HA H 45 4.458 4.613 -0.155 1
1 418 . 12 1 1 A 45 45 SER CB C 45 64.084 62.137 1.947 1
1 420 . 12 1 1 A 45 45 SER C C 45 173.896 175.036 -1.140 1
1 1 . 13 1 1 A 6 6 SER CA C 6 58.575 56.907 1.668 1
1 2 . 13 1 1 A 6 6 SER HA H 6 4.453 4.791 -0.338 1
1 3 . 13 1 1 A 6 6 SER CB C 6 63.817 64.046 -0.229 1
1 5 . 13 1 1 A 6 6 SER C C 6 175.107 174.457 0.650 1
1 7 . 13 1 1 A 7 7 GLY N N 7 110.865 113.962 -3.097 1
1 8 . 13 1 1 A 7 7 GLY H H 7 8.455 8.194 0.261 1
1 9 . 13 1 1 A 7 7 GLY CA C 7 45.447 46.050 -0.603 1
1 10 . 13 1 1 A 7 7 GLY HA3 H 7 4.006 4.076 -0.070 1
1 11 . 13 1 1 A 7 7 GLY C C 7 174.454 174.476 -0.022 1
1 12 . 13 1 1 A 7 7 GLY HA2 H 7 4.006 4.075 -0.069 1
1 13 . 13 1 1 A 8 8 THR N N 8 112.847 114.652 -1.805 1
1 14 . 13 1 1 A 8 8 THR H H 8 8.139 8.242 -0.103 1
1 15 . 13 1 1 A 8 8 THR CA C 8 61.905 61.693 0.212 1
1 16 . 13 1 1 A 8 8 THR HA H 8 4.353 4.663 -0.310 1
1 17 . 13 1 1 A 8 8 THR CB C 8 69.843 70.405 -0.562 1
1 23 . 13 1 1 A 8 8 THR C C 8 175.228 174.826 0.402 1
1 24 . 13 1 1 A 9 9 GLY N N 9 110.821 111.671 -0.850 1
1 25 . 13 1 1 A 9 9 GLY H H 9 8.421 8.206 0.215 1
1 26 . 13 1 1 A 9 9 GLY CA C 9 45.254 45.891 -0.637 1
1 27 . 13 1 1 A 9 9 GLY HA3 H 9 3.949 4.165 -0.216 1
1 28 . 13 1 1 A 9 9 GLY C C 9 174.011 171.457 2.554 1
1 29 . 13 1 1 A 9 9 GLY HA2 H 9 3.892 4.160 -0.268 1
1 30 . 13 1 1 A 10 10 GLU N N 10 120.237 119.937 0.300 1
1 31 . 13 1 1 A 10 10 GLU H H 10 8.182 8.565 -0.383 1
1 32 . 13 1 1 A 10 10 GLU CA C 10 56.937 54.754 2.183 1
1 33 . 13 1 1 A 10 10 GLU HA H 10 4.144 4.898 -0.754 1
1 34 . 13 1 1 A 10 10 GLU CB C 10 30.378 32.551 -2.173 1
1 38 . 13 1 1 A 10 10 GLU C C 10 176.184 175.703 0.481 1
1 41 . 13 1 1 A 11 11 LYS N N 11 121.342 125.110 -3.768 1
1 42 . 13 1 1 A 11 11 LYS H H 11 8.229 8.501 -0.272 1
1 43 . 13 1 1 A 11 11 LYS CA C 11 53.834 54.985 -1.151 1
1 44 . 13 1 1 A 11 11 LYS HA H 11 4.484 4.240 0.244 1
1 45 . 13 1 1 A 11 11 LYS CB C 11 32.967 31.861 1.106 1
1 57 . 13 1 1 A 12 12 PRO CA C 12 63.387 64.639 -1.252 1
1 58 . 13 1 1 A 12 12 PRO HA H 12 4.316 4.288 0.028 1
1 59 . 13 1 1 A 12 12 PRO CB C 12 32.242 31.730 0.512 1
1 65 . 13 1 1 A 12 12 PRO C C 12 176.139 175.704 0.435 1
1 69 . 13 1 1 A 13 13 TYR N N 13 118.364 118.419 -0.055 1
1 70 . 13 1 1 A 13 13 TYR H H 13 7.941 7.152 0.789 1
1 71 . 13 1 1 A 13 13 TYR CA C 13 57.734 57.252 0.482 1
1 72 . 13 1 1 A 13 13 TYR HA H 13 4.583 5.062 -0.479 1
1 73 . 13 1 1 A 13 13 TYR CB C 13 38.810 41.026 -2.216 1
1 83 . 13 1 1 A 13 13 TYR C C 13 174.591 175.320 -0.729 1
1 85 . 13 1 1 A 14 14 ASN N N 14 121.715 118.166 3.549 1
1 86 . 13 1 1 A 14 14 ASN H H 14 8.714 9.241 -0.527 1
1 87 . 13 1 1 A 14 14 ASN CA C 14 52.503 51.555 0.948 1
1 88 . 13 1 1 A 14 14 ASN HA H 14 5.345 5.929 -0.584 1
1 89 . 13 1 1 A 14 14 ASN CB C 14 41.570 42.123 -0.553 1
1 94 . 13 1 1 A 14 14 ASN C C 14 173.463 173.474 -0.011 1
1 96 . 13 1 1 A 15 15 CYS N N 15 124.857 123.666 1.191 1
1 97 . 13 1 1 A 15 15 CYS H H 15 9.202 9.216 -0.014 1
1 98 . 13 1 1 A 15 15 CYS CA C 15 59.089 59.842 -0.753 1
1 99 . 13 1 1 A 15 15 CYS HA H 15 4.627 4.558 0.069 1
1 100 . 13 1 1 A 15 15 CYS CB C 15 29.702 28.558 1.144 1
1 102 . 13 1 1 A 15 15 CYS C C 15 177.005 176.578 0.427 1
1 104 . 13 1 1 A 16 16 LYS N N 16 131.671 124.436 7.235 1
1 105 . 13 1 1 A 16 16 LYS H H 16 9.303 8.575 0.728 1
1 106 . 13 1 1 A 16 16 LYS CA C 16 58.569 58.189 0.380 1
1 107 . 13 1 1 A 16 16 LYS HA H 16 4.162 4.296 -0.134 1
1 108 . 13 1 1 A 16 16 LYS CB C 16 32.192 33.281 -1.089 1
1 116 . 13 1 1 A 16 16 LYS C C 16 177.048 178.787 -1.739 1
1 121 . 13 1 1 A 17 17 GLU N N 17 119.887 118.942 0.945 1
1 122 . 13 1 1 A 17 17 GLU H H 17 8.581 8.212 0.369 1
1 123 . 13 1 1 A 17 17 GLU CA C 17 58.433 59.169 -0.736 1
1 124 . 13 1 1 A 17 17 GLU HA H 17 4.186 3.948 0.238 1
1 125 . 13 1 1 A 17 17 GLU CB C 17 29.328 28.431 0.897 1
1 129 . 13 1 1 A 17 17 GLU C C 17 177.219 177.963 -0.744 1
1 132 . 13 1 1 A 18 18 CYS N N 18 114.441 114.731 -0.290 1
1 133 . 13 1 1 A 18 18 CYS H H 18 7.918 7.950 -0.032 1
1 134 . 13 1 1 A 18 18 CYS CA C 18 58.398 59.680 -1.282 1
1 135 . 13 1 1 A 18 18 CYS HA H 18 5.178 4.693 0.485 1
1 136 . 13 1 1 A 18 18 CYS CB C 18 32.515 29.920 2.595 1
1 138 . 13 1 1 A 18 18 CYS C C 18 176.163 175.471 0.692 1
1 140 . 13 1 1 A 19 19 GLY N N 19 113.399 110.421 2.978 1
1 141 . 13 1 1 A 19 19 GLY H H 19 8.276 8.287 -0.011 1
1 142 . 13 1 1 A 19 19 GLY CA C 19 46.239 45.818 0.421 1
1 143 . 13 1 1 A 19 19 GLY HA3 H 19 4.238 4.033 0.205 1
1 144 . 13 1 1 A 19 19 GLY C C 19 174.108 174.204 -0.096 1
1 145 . 13 1 1 A 19 19 GLY HA2 H 19 3.895 4.021 -0.126 1
1 146 . 13 1 1 A 20 20 LYS N N 20 122.801 119.251 3.550 1
1 147 . 13 1 1 A 20 20 LYS H H 20 7.927 7.908 0.019 1
1 148 . 13 1 1 A 20 20 LYS CA C 20 58.073 54.656 3.417 1
1 149 . 13 1 1 A 20 20 LYS HA H 20 4.028 4.685 -0.657 1
1 150 . 13 1 1 A 20 20 LYS CB C 20 33.995 34.335 -0.340 1
1 158 . 13 1 1 A 20 20 LYS C C 20 174.252 175.621 -1.369 1
1 163 . 13 1 1 A 21 21 SER N N 21 115.354 116.138 -0.784 1
1 164 . 13 1 1 A 21 21 SER H H 21 7.753 8.457 -0.704 1
1 165 . 13 1 1 A 21 21 SER CA C 21 56.907 56.748 0.159 1
1 166 . 13 1 1 A 21 21 SER HA H 21 5.264 5.586 -0.322 1
1 167 . 13 1 1 A 21 21 SER CB C 21 65.905 66.018 -0.113 1
1 169 . 13 1 1 A 21 21 SER C C 21 173.109 172.782 0.327 1
1 171 . 13 1 1 A 22 22 PHE N N 22 118.558 121.968 -3.410 1
1 172 . 13 1 1 A 22 22 PHE H H 22 8.756 9.077 -0.321 1
1 173 . 13 1 1 A 22 22 PHE CA C 22 57.139 56.319 0.820 1
1 174 . 13 1 1 A 22 22 PHE HA H 22 4.743 4.952 -0.209 1
1 175 . 13 1 1 A 22 22 PHE CB C 22 43.854 42.705 1.149 1
1 187 . 13 1 1 A 22 22 PHE C C 22 174.812 175.810 -0.998 1
1 189 . 13 1 1 A 23 23 ARG N N 23 121.492 122.887 -1.395 1
1 190 . 13 1 1 A 23 23 ARG H H 23 9.062 8.708 0.354 1
1 191 . 13 1 1 A 23 23 ARG CA C 23 58.297 59.545 -1.248 1
1 192 . 13 1 1 A 23 23 ARG HA H 23 4.148 4.128 0.020 1
1 193 . 13 1 1 A 23 23 ARG CB C 23 30.777 30.540 0.237 1
1 199 . 13 1 1 A 23 23 ARG C C 23 175.059 176.714 -1.655 1
1 203 . 13 1 1 A 24 24 TRP N N 24 135.582 118.711 16.871 1
1 204 . 13 1 1 A 24 24 TRP H H 24 7.265 8.045 -0.780 1
1 205 . 13 1 1 A 24 24 TRP CA C 24 55.009 57.441 -2.432 1
1 206 . 13 1 1 A 24 24 TRP HA H 24 5.251 4.925 0.326 1
1 207 . 13 1 1 A 24 24 TRP CB C 24 32.664 31.345 1.319 1
1 221 . 13 1 1 A 24 24 TRP C C 24 176.478 176.458 0.020 1
1 223 . 13 1 1 A 25 25 ALA N N 25 127.796 126.014 1.782 1
1 224 . 13 1 1 A 25 25 ALA H H 25 8.590 8.822 -0.232 1
1 225 . 13 1 1 A 25 25 ALA CA C 25 55.039 55.002 0.037 1
1 226 . 13 1 1 A 25 25 ALA HA H 25 3.100 3.101 -0.001 1
1 227 . 13 1 1 A 25 25 ALA CB C 25 17.676 18.087 -0.411 1
1 231 . 13 1 1 A 26 26 SER CA C 26 61.568 62.068 -0.500 1
1 232 . 13 1 1 A 26 26 SER HA H 26 3.889 4.046 -0.157 1
1 233 . 13 1 1 A 26 26 SER CB C 26 60.859 62.653 -1.794 1
1 235 . 13 1 1 A 26 26 SER C C 26 177.407 175.917 1.490 1
1 237 . 13 1 1 A 27 27 CYS N N 27 122.821 121.025 1.796 1
1 238 . 13 1 1 A 27 27 CYS H H 27 7.093 8.237 -1.144 1
1 239 . 13 1 1 A 27 27 CYS CA C 27 62.747 62.544 0.203 1
1 240 . 13 1 1 A 27 27 CYS HA H 27 4.000 3.982 0.018 1
1 241 . 13 1 1 A 27 27 CYS CB C 27 28.498 26.740 1.758 1
1 242 . 13 1 1 A 27 27 CYS C C 27 178.084 177.165 0.919 1
1 244 . 13 1 1 A 28 28 LEU N N 28 121.440 121.846 -0.406 1
1 245 . 13 1 1 A 28 28 LEU H H 28 6.965 7.502 -0.537 1
1 246 . 13 1 1 A 28 28 LEU CA C 28 57.672 57.384 0.288 1
1 247 . 13 1 1 A 28 28 LEU HA H 28 3.210 2.521 0.689 1
1 248 . 13 1 1 A 28 28 LEU CB C 28 40.463 41.111 -0.648 1
1 260 . 13 1 1 A 28 28 LEU C C 28 177.411 178.080 -0.669 1
1 262 . 13 1 1 A 29 29 LEU N N 29 119.582 119.788 -0.206 1
1 263 . 13 1 1 A 29 29 LEU H H 29 7.918 7.983 -0.065 1
1 264 . 13 1 1 A 29 29 LEU CA C 29 58.172 58.450 -0.278 1
1 265 . 13 1 1 A 29 29 LEU HA H 29 4.085 3.893 0.192 1
1 266 . 13 1 1 A 29 29 LEU CB C 29 41.634 41.497 0.137 1
1 278 . 13 1 1 A 29 29 LEU C C 29 179.868 178.328 1.540 1
1 280 . 13 1 1 A 30 30 LYS N N 30 117.949 118.960 -1.011 1
1 281 . 13 1 1 A 30 30 LYS H H 30 7.494 8.224 -0.730 1
1 282 . 13 1 1 A 30 30 LYS CA C 30 59.428 59.230 0.198 1
1 283 . 13 1 1 A 30 30 LYS HA H 30 3.947 3.902 0.045 1
1 284 . 13 1 1 A 30 30 LYS CB C 30 32.538 32.076 0.462 1
1 292 . 13 1 1 A 30 30 LYS C C 30 179.147 178.736 0.411 1
1 297 . 13 1 1 A 31 31 HIS N N 31 118.910 119.528 -0.618 1
1 298 . 13 1 1 A 31 31 HIS H H 31 7.688 8.017 -0.329 1
1 299 . 13 1 1 A 31 31 HIS CA C 31 58.850 60.207 -1.357 1
1 300 . 13 1 1 A 31 31 HIS HA H 31 4.237 4.171 0.066 1
1 301 . 13 1 1 A 31 31 HIS CB C 31 28.584 29.592 -1.008 1
1 307 . 13 1 1 A 31 31 HIS C C 31 176.001 177.165 -1.164 1
1 309 . 13 1 1 A 32 32 GLN N N 32 115.428 117.718 -2.290 1
1 310 . 13 1 1 A 32 32 GLN H H 32 8.230 8.047 0.183 1
1 311 . 13 1 1 A 32 32 GLN CA C 32 59.190 59.027 0.163 1
1 312 . 13 1 1 A 32 32 GLN HA H 32 3.706 3.775 -0.069 1
1 313 . 13 1 1 A 32 32 GLN CB C 32 28.135 28.363 -0.228 1
1 320 . 13 1 1 A 32 32 GLN C C 32 177.623 178.489 -0.866 1
1 323 . 13 1 1 A 33 33 ARG N N 33 118.204 120.139 -1.935 1
1 324 . 13 1 1 A 33 33 ARG H H 33 7.197 7.925 -0.728 1
1 325 . 13 1 1 A 33 33 ARG CA C 33 58.506 59.039 -0.533 1
1 326 . 13 1 1 A 33 33 ARG HA H 33 4.134 3.945 0.189 1
1 327 . 13 1 1 A 33 33 ARG CB C 33 29.842 29.732 0.110 1
1 333 . 13 1 1 A 33 33 ARG C C 33 178.649 179.003 -0.354 1
1 337 . 13 1 1 A 34 34 VAL N N 34 116.486 117.025 -0.539 1
1 338 . 13 1 1 A 34 34 VAL H H 34 7.902 7.868 0.034 1
1 339 . 13 1 1 A 34 34 VAL CA C 34 64.123 65.318 -1.195 1
1 340 . 13 1 1 A 34 34 VAL HA H 34 3.905 3.707 0.198 1
1 341 . 13 1 1 A 34 34 VAL CB C 34 31.069 31.160 -0.091 1
1 351 . 13 1 1 A 34 34 VAL C C 34 177.281 176.643 0.638 1
1 352 . 13 1 1 A 35 35 HIS N N 35 117.033 120.475 -3.442 1
1 353 . 13 1 1 A 35 35 HIS H H 35 7.126 7.628 -0.502 1
1 354 . 13 1 1 A 35 35 HIS CA C 35 54.996 58.130 -3.134 1
1 355 . 13 1 1 A 35 35 HIS HA H 35 4.875 4.468 0.407 1
1 356 . 13 1 1 A 35 35 HIS CB C 35 28.704 30.683 -1.979 1
1 362 . 13 1 1 A 35 35 HIS C C 35 175.499 177.269 -1.770 1
1 364 . 13 1 1 A 36 36 SER N N 36 114.731 116.251 -1.520 1
1 365 . 13 1 1 A 36 36 SER H H 36 7.792 8.203 -0.411 1
1 366 . 13 1 1 A 36 36 SER CA C 36 59.098 62.706 -3.608 1
1 367 . 13 1 1 A 36 36 SER HA H 36 4.463 4.111 0.352 1
1 368 . 13 1 1 A 36 36 SER CB C 36 64.002 62.456 1.546 1
1 370 . 13 1 1 A 36 36 SER C C 36 175.139 176.472 -1.333 1
1 372 . 13 1 1 A 37 37 GLY N N 37 110.777 108.384 2.393 1
1 373 . 13 1 1 A 37 37 GLY H H 37 8.316 7.967 0.349 1
1 374 . 13 1 1 A 37 37 GLY CA C 37 45.362 46.492 -1.130 1
1 375 . 13 1 1 A 37 37 GLY HA3 H 37 4.002 3.823 0.179 1
1 376 . 13 1 1 A 37 37 GLY C C 37 174.036 175.373 -1.337 1
1 377 . 13 1 1 A 37 37 GLY HA2 H 37 4.002 3.814 0.188 1
1 378 . 13 1 1 A 38 38 GLU N N 38 120.515 119.769 0.746 1
1 379 . 13 1 1 A 38 38 GLU H H 38 8.100 8.343 -0.243 1
1 380 . 13 1 1 A 38 38 GLU CA C 38 56.424 57.607 -1.183 1
1 381 . 13 1 1 A 38 38 GLU HA H 38 4.269 4.202 0.067 1
1 382 . 13 1 1 A 38 38 GLU CB C 38 30.494 28.541 1.953 1
1 386 . 13 1 1 A 38 38 GLU C C 38 176.249 175.229 1.020 1
1 389 . 13 1 1 A 39 39 LYS N N 39 123.799 118.869 4.930 1
1 390 . 13 1 1 A 39 39 LYS H H 39 8.409 7.578 0.831 1
1 391 . 13 1 1 A 39 39 LYS CA C 39 54.163 54.373 -0.210 1
1 392 . 13 1 1 A 39 39 LYS HA H 39 4.622 4.569 0.053 1
1 393 . 13 1 1 A 39 39 LYS CB C 39 32.492 35.846 -3.354 1
1 405 . 13 1 1 A 40 40 PRO CA C 40 63.257 62.794 0.463 1
1 406 . 13 1 1 A 40 40 PRO HA H 40 4.475 4.612 -0.137 1
1 407 . 13 1 1 A 40 40 PRO CB C 40 32.139 31.668 0.471 1
1 416 . 13 1 1 A 45 45 SER CA C 45 58.385 56.977 1.408 1
1 417 . 13 1 1 A 45 45 SER HA H 45 4.458 4.874 -0.416 1
1 418 . 13 1 1 A 45 45 SER CB C 45 64.084 64.946 -0.862 1
1 420 . 13 1 1 A 45 45 SER C C 45 173.896 176.177 -2.281 1
1 1 . 14 1 1 A 6 6 SER CA C 6 58.575 57.559 1.016 1
1 2 . 14 1 1 A 6 6 SER HA H 6 4.453 4.810 -0.357 1
1 3 . 14 1 1 A 6 6 SER CB C 6 63.817 65.522 -1.705 1
1 5 . 14 1 1 A 6 6 SER C C 6 175.107 173.161 1.946 1
1 7 . 14 1 1 A 7 7 GLY N N 7 110.865 108.461 2.404 1
1 8 . 14 1 1 A 7 7 GLY H H 7 8.455 8.577 -0.122 1
1 9 . 14 1 1 A 7 7 GLY CA C 7 45.447 46.356 -0.909 1
1 10 . 14 1 1 A 7 7 GLY HA3 H 7 4.006 4.151 -0.145 1
1 11 . 14 1 1 A 7 7 GLY C C 7 174.454 173.581 0.873 1
1 12 . 14 1 1 A 7 7 GLY HA2 H 7 4.006 4.151 -0.145 1
1 13 . 14 1 1 A 8 8 THR N N 8 112.847 117.203 -4.356 1
1 14 . 14 1 1 A 8 8 THR H H 8 8.139 7.938 0.201 1
1 15 . 14 1 1 A 8 8 THR CA C 8 61.905 64.061 -2.156 1
1 16 . 14 1 1 A 8 8 THR HA H 8 4.353 4.082 0.271 1
1 17 . 14 1 1 A 8 8 THR CB C 8 69.843 69.101 0.742 1
1 23 . 14 1 1 A 8 8 THR C C 8 175.228 175.531 -0.303 1
1 24 . 14 1 1 A 9 9 GLY N N 9 110.821 113.121 -2.300 1
1 25 . 14 1 1 A 9 9 GLY H H 9 8.421 8.665 -0.244 1
1 26 . 14 1 1 A 9 9 GLY CA C 9 45.254 45.828 -0.574 1
1 27 . 14 1 1 A 9 9 GLY HA3 H 9 3.949 3.954 -0.005 1
1 28 . 14 1 1 A 9 9 GLY C C 9 174.011 173.404 0.607 1
1 29 . 14 1 1 A 9 9 GLY HA2 H 9 3.892 3.949 -0.057 1
1 30 . 14 1 1 A 10 10 GLU N N 10 120.237 123.146 -2.909 1
1 31 . 14 1 1 A 10 10 GLU H H 10 8.182 8.636 -0.454 1
1 32 . 14 1 1 A 10 10 GLU CA C 10 56.937 56.567 0.370 1
1 33 . 14 1 1 A 10 10 GLU HA H 10 4.144 4.494 -0.350 1
1 34 . 14 1 1 A 10 10 GLU CB C 10 30.378 30.112 0.266 1
1 38 . 14 1 1 A 10 10 GLU C C 10 176.184 175.461 0.723 1
1 41 . 14 1 1 A 11 11 LYS N N 11 121.342 127.143 -5.801 1
1 42 . 14 1 1 A 11 11 LYS H H 11 8.229 8.686 -0.457 1
1 43 . 14 1 1 A 11 11 LYS CA C 11 53.834 52.805 1.029 1
1 44 . 14 1 1 A 11 11 LYS HA H 11 4.484 4.747 -0.263 1
1 45 . 14 1 1 A 11 11 LYS CB C 11 32.967 33.998 -1.031 1
1 57 . 14 1 1 A 12 12 PRO CA C 12 63.387 64.793 -1.406 1
1 58 . 14 1 1 A 12 12 PRO HA H 12 4.316 4.283 0.033 1
1 59 . 14 1 1 A 12 12 PRO CB C 12 32.242 31.668 0.574 1
1 65 . 14 1 1 A 12 12 PRO C C 12 176.139 175.884 0.255 1
1 69 . 14 1 1 A 13 13 TYR N N 13 118.364 118.168 0.196 1
1 70 . 14 1 1 A 13 13 TYR H H 13 7.941 7.344 0.597 1
1 71 . 14 1 1 A 13 13 TYR CA C 13 57.734 57.901 -0.167 1
1 72 . 14 1 1 A 13 13 TYR HA H 13 4.583 4.881 -0.298 1
1 73 . 14 1 1 A 13 13 TYR CB C 13 38.810 39.739 -0.929 1
1 83 . 14 1 1 A 13 13 TYR C C 13 174.591 175.964 -1.373 1
1 85 . 14 1 1 A 14 14 ASN N N 14 121.715 120.968 0.747 1
1 86 . 14 1 1 A 14 14 ASN H H 14 8.714 8.966 -0.252 1
1 87 . 14 1 1 A 14 14 ASN CA C 14 52.503 52.390 0.113 1
1 88 . 14 1 1 A 14 14 ASN HA H 14 5.345 5.660 -0.315 1
1 89 . 14 1 1 A 14 14 ASN CB C 14 41.570 41.734 -0.164 1
1 94 . 14 1 1 A 14 14 ASN C C 14 173.463 174.270 -0.807 1
1 96 . 14 1 1 A 15 15 CYS N N 15 124.857 125.128 -0.271 1
1 97 . 14 1 1 A 15 15 CYS H H 15 9.202 9.046 0.156 1
1 98 . 14 1 1 A 15 15 CYS CA C 15 59.089 60.080 -0.991 1
1 99 . 14 1 1 A 15 15 CYS HA H 15 4.627 4.411 0.216 1
1 100 . 14 1 1 A 15 15 CYS CB C 15 29.702 28.369 1.333 1
1 102 . 14 1 1 A 15 15 CYS C C 15 177.005 174.845 2.160 1
1 104 . 14 1 1 A 16 16 LYS N N 16 131.671 127.364 4.307 1
1 105 . 14 1 1 A 16 16 LYS H H 16 9.303 8.878 0.425 1
1 106 . 14 1 1 A 16 16 LYS CA C 16 58.569 56.818 1.751 1
1 107 . 14 1 1 A 16 16 LYS HA H 16 4.162 4.376 -0.214 1
1 108 . 14 1 1 A 16 16 LYS CB C 16 32.192 32.757 -0.565 1
1 116 . 14 1 1 A 16 16 LYS C C 16 177.048 178.387 -1.339 1
1 121 . 14 1 1 A 17 17 GLU N N 17 119.887 119.729 0.158 1
1 122 . 14 1 1 A 17 17 GLU H H 17 8.581 7.804 0.777 1
1 123 . 14 1 1 A 17 17 GLU CA C 17 58.433 59.002 -0.569 1
1 124 . 14 1 1 A 17 17 GLU HA H 17 4.186 3.921 0.265 1
1 125 . 14 1 1 A 17 17 GLU CB C 17 29.328 28.627 0.701 1
1 129 . 14 1 1 A 17 17 GLU C C 17 177.219 178.541 -1.322 1
1 132 . 14 1 1 A 18 18 CYS N N 18 114.441 114.921 -0.480 1
1 133 . 14 1 1 A 18 18 CYS H H 18 7.918 7.277 0.641 1
1 134 . 14 1 1 A 18 18 CYS CA C 18 58.398 59.886 -1.488 1
1 135 . 14 1 1 A 18 18 CYS HA H 18 5.178 4.570 0.608 1
1 136 . 14 1 1 A 18 18 CYS CB C 18 32.515 29.442 3.073 1
1 138 . 14 1 1 A 18 18 CYS C C 18 176.163 175.270 0.893 1
1 140 . 14 1 1 A 19 19 GLY N N 19 113.399 110.431 2.968 1
1 141 . 14 1 1 A 19 19 GLY H H 19 8.276 8.109 0.167 1
1 142 . 14 1 1 A 19 19 GLY CA C 19 46.239 45.377 0.862 1
1 143 . 14 1 1 A 19 19 GLY HA3 H 19 4.238 4.071 0.167 1
1 144 . 14 1 1 A 19 19 GLY C C 19 174.108 174.503 -0.395 1
1 145 . 14 1 1 A 19 19 GLY HA2 H 19 3.895 4.057 -0.162 1
1 146 . 14 1 1 A 20 20 LYS N N 20 122.801 119.712 3.089 1
1 147 . 14 1 1 A 20 20 LYS H H 20 7.927 7.384 0.543 1
1 148 . 14 1 1 A 20 20 LYS CA C 20 58.073 55.583 2.490 1
1 149 . 14 1 1 A 20 20 LYS HA H 20 4.028 4.549 -0.521 1
1 150 . 14 1 1 A 20 20 LYS CB C 20 33.995 34.298 -0.303 1
1 158 . 14 1 1 A 20 20 LYS C C 20 174.252 175.434 -1.182 1
1 163 . 14 1 1 A 21 21 SER N N 21 115.354 112.379 2.975 1
1 164 . 14 1 1 A 21 21 SER H H 21 7.753 8.387 -0.634 1
1 165 . 14 1 1 A 21 21 SER CA C 21 56.907 55.434 1.473 1
1 166 . 14 1 1 A 21 21 SER HA H 21 5.264 5.601 -0.337 1
1 167 . 14 1 1 A 21 21 SER CB C 21 65.905 66.511 -0.606 1
1 169 . 14 1 1 A 21 21 SER C C 21 173.109 173.014 0.095 1
1 171 . 14 1 1 A 22 22 PHE N N 22 118.558 118.000 0.558 1
1 172 . 14 1 1 A 22 22 PHE H H 22 8.756 8.781 -0.025 1
1 173 . 14 1 1 A 22 22 PHE CA C 22 57.139 56.483 0.656 1
1 174 . 14 1 1 A 22 22 PHE HA H 22 4.743 4.883 -0.140 1
1 175 . 14 1 1 A 22 22 PHE CB C 22 43.854 43.459 0.395 1
1 187 . 14 1 1 A 22 22 PHE C C 22 174.812 175.412 -0.600 1
1 189 . 14 1 1 A 23 23 ARG N N 23 121.492 122.944 -1.452 1
1 190 . 14 1 1 A 23 23 ARG H H 23 9.062 8.848 0.214 1
1 191 . 14 1 1 A 23 23 ARG CA C 23 58.297 57.746 0.551 1
1 192 . 14 1 1 A 23 23 ARG HA H 23 4.148 4.287 -0.139 1
1 193 . 14 1 1 A 23 23 ARG CB C 23 30.777 30.972 -0.195 1
1 199 . 14 1 1 A 23 23 ARG C C 23 175.059 175.734 -0.675 1
1 203 . 14 1 1 A 24 24 TRP N N 24 135.582 118.176 17.406 1
1 204 . 14 1 1 A 24 24 TRP H H 24 7.265 7.956 -0.691 1
1 205 . 14 1 1 A 24 24 TRP CA C 24 55.009 56.642 -1.633 1
1 206 . 14 1 1 A 24 24 TRP HA H 24 5.251 4.874 0.377 1
1 207 . 14 1 1 A 24 24 TRP CB C 24 32.664 31.607 1.057 1
1 221 . 14 1 1 A 24 24 TRP C C 24 176.478 176.299 0.179 1
1 223 . 14 1 1 A 25 25 ALA N N 25 127.796 125.843 1.953 1
1 224 . 14 1 1 A 25 25 ALA H H 25 8.590 8.690 -0.100 1
1 225 . 14 1 1 A 25 25 ALA CA C 25 55.039 55.117 -0.078 1
1 226 . 14 1 1 A 25 25 ALA HA H 25 3.100 3.365 -0.265 1
1 227 . 14 1 1 A 25 25 ALA CB C 25 17.676 18.062 -0.386 1
1 231 . 14 1 1 A 26 26 SER CA C 26 61.568 61.187 0.381 1
1 232 . 14 1 1 A 26 26 SER HA H 26 3.889 4.182 -0.293 1
1 233 . 14 1 1 A 26 26 SER CB C 26 60.859 62.587 -1.728 1
1 235 . 14 1 1 A 26 26 SER C C 26 177.407 177.181 0.226 1
1 237 . 14 1 1 A 27 27 CYS N N 27 122.821 119.337 3.484 1
1 238 . 14 1 1 A 27 27 CYS H H 27 7.093 8.219 -1.126 1
1 239 . 14 1 1 A 27 27 CYS CA C 27 62.747 64.032 -1.285 1
1 240 . 14 1 1 A 27 27 CYS HA H 27 4.000 4.129 -0.129 1
1 241 . 14 1 1 A 27 27 CYS CB C 27 28.498 27.588 0.910 1
1 242 . 14 1 1 A 27 27 CYS C C 27 178.084 176.636 1.448 1
1 244 . 14 1 1 A 28 28 LEU N N 28 121.440 121.785 -0.345 1
1 245 . 14 1 1 A 28 28 LEU H H 28 6.965 7.635 -0.670 1
1 246 . 14 1 1 A 28 28 LEU CA C 28 57.672 56.989 0.683 1
1 247 . 14 1 1 A 28 28 LEU HA H 28 3.210 2.650 0.560 1
1 248 . 14 1 1 A 28 28 LEU CB C 28 40.463 41.437 -0.974 1
1 260 . 14 1 1 A 28 28 LEU C C 28 177.411 177.818 -0.407 1
1 262 . 14 1 1 A 29 29 LEU N N 29 119.582 119.851 -0.269 1
1 263 . 14 1 1 A 29 29 LEU H H 29 7.918 7.912 0.006 1
1 264 . 14 1 1 A 29 29 LEU CA C 29 58.172 58.398 -0.226 1
1 265 . 14 1 1 A 29 29 LEU HA H 29 4.085 3.920 0.165 1
1 266 . 14 1 1 A 29 29 LEU CB C 29 41.634 41.542 0.092 1
1 278 . 14 1 1 A 29 29 LEU C C 29 179.868 178.244 1.624 1
1 280 . 14 1 1 A 30 30 LYS N N 30 117.949 119.248 -1.299 1
1 281 . 14 1 1 A 30 30 LYS H H 30 7.494 8.110 -0.616 1
1 282 . 14 1 1 A 30 30 LYS CA C 30 59.428 59.219 0.209 1
1 283 . 14 1 1 A 30 30 LYS HA H 30 3.947 3.862 0.085 1
1 284 . 14 1 1 A 30 30 LYS CB C 30 32.538 32.140 0.398 1
1 292 . 14 1 1 A 30 30 LYS C C 30 179.147 178.478 0.669 1
1 297 . 14 1 1 A 31 31 HIS N N 31 118.910 119.935 -1.025 1
1 298 . 14 1 1 A 31 31 HIS H H 31 7.688 7.703 -0.015 1
1 299 . 14 1 1 A 31 31 HIS CA C 31 58.850 59.999 -1.149 1
1 300 . 14 1 1 A 31 31 HIS HA H 31 4.237 4.286 -0.049 1
1 301 . 14 1 1 A 31 31 HIS CB C 31 28.584 29.538 -0.954 1
1 307 . 14 1 1 A 31 31 HIS C C 31 176.001 177.254 -1.253 1
1 309 . 14 1 1 A 32 32 GLN N N 32 115.428 117.297 -1.869 1
1 310 . 14 1 1 A 32 32 GLN H H 32 8.230 8.059 0.171 1
1 311 . 14 1 1 A 32 32 GLN CA C 32 59.190 58.884 0.306 1
1 312 . 14 1 1 A 32 32 GLN HA H 32 3.706 3.727 -0.021 1
1 313 . 14 1 1 A 32 32 GLN CB C 32 28.135 28.224 -0.089 1
1 320 . 14 1 1 A 32 32 GLN C C 32 177.623 178.641 -1.018 1
1 323 . 14 1 1 A 33 33 ARG N N 33 118.204 120.302 -2.098 1
1 324 . 14 1 1 A 33 33 ARG H H 33 7.197 7.996 -0.799 1
1 325 . 14 1 1 A 33 33 ARG CA C 33 58.506 58.967 -0.461 1
1 326 . 14 1 1 A 33 33 ARG HA H 33 4.134 3.968 0.166 1
1 327 . 14 1 1 A 33 33 ARG CB C 33 29.842 29.843 -0.001 1
1 333 . 14 1 1 A 33 33 ARG C C 33 178.649 178.717 -0.068 1
1 337 . 14 1 1 A 34 34 VAL N N 34 116.486 117.000 -0.514 1
1 338 . 14 1 1 A 34 34 VAL H H 34 7.902 7.795 0.107 1
1 339 . 14 1 1 A 34 34 VAL CA C 34 64.123 65.312 -1.189 1
1 340 . 14 1 1 A 34 34 VAL HA H 34 3.905 3.669 0.236 1
1 341 . 14 1 1 A 34 34 VAL CB C 34 31.069 31.217 -0.148 1
1 351 . 14 1 1 A 34 34 VAL C C 34 177.281 177.511 -0.230 1
1 352 . 14 1 1 A 35 35 HIS N N 35 117.033 119.978 -2.945 1
1 353 . 14 1 1 A 35 35 HIS H H 35 7.126 7.617 -0.491 1
1 354 . 14 1 1 A 35 35 HIS CA C 35 54.996 58.547 -3.551 1
1 355 . 14 1 1 A 35 35 HIS HA H 35 4.875 4.403 0.472 1
1 356 . 14 1 1 A 35 35 HIS CB C 35 28.704 30.431 -1.727 1
1 362 . 14 1 1 A 35 35 HIS C C 35 175.499 175.895 -0.396 1
1 364 . 14 1 1 A 36 36 SER N N 36 114.731 114.625 0.106 1
1 365 . 14 1 1 A 36 36 SER H H 36 7.792 7.899 -0.107 1
1 366 . 14 1 1 A 36 36 SER CA C 36 59.098 59.009 0.089 1
1 367 . 14 1 1 A 36 36 SER HA H 36 4.463 4.431 0.032 1
1 368 . 14 1 1 A 36 36 SER CB C 36 64.002 64.620 -0.618 1
1 370 . 14 1 1 A 36 36 SER C C 36 175.139 174.930 0.209 1
1 372 . 14 1 1 A 37 37 GLY N N 37 110.777 109.946 0.831 1
1 373 . 14 1 1 A 37 37 GLY H H 37 8.316 8.571 -0.255 1
1 374 . 14 1 1 A 37 37 GLY CA C 37 45.362 44.414 0.948 1
1 375 . 14 1 1 A 37 37 GLY HA3 H 37 4.002 4.088 -0.086 1
1 376 . 14 1 1 A 37 37 GLY C C 37 174.036 175.031 -0.995 1
1 377 . 14 1 1 A 37 37 GLY HA2 H 37 4.002 4.085 -0.083 1
1 378 . 14 1 1 A 38 38 GLU N N 38 120.515 119.801 0.714 1
1 379 . 14 1 1 A 38 38 GLU H H 38 8.100 8.922 -0.822 1
1 380 . 14 1 1 A 38 38 GLU CA C 38 56.424 57.267 -0.843 1
1 381 . 14 1 1 A 38 38 GLU HA H 38 4.269 4.039 0.230 1
1 382 . 14 1 1 A 38 38 GLU CB C 38 30.494 27.429 3.065 1
1 386 . 14 1 1 A 38 38 GLU C C 38 176.249 175.771 0.478 1
1 389 . 14 1 1 A 39 39 LYS N N 39 123.799 122.334 1.465 1
1 390 . 14 1 1 A 39 39 LYS H H 39 8.409 7.726 0.683 1
1 391 . 14 1 1 A 39 39 LYS CA C 39 54.163 53.156 1.007 1
1 392 . 14 1 1 A 39 39 LYS HA H 39 4.622 4.764 -0.142 1
1 393 . 14 1 1 A 39 39 LYS CB C 39 32.492 35.025 -2.533 1
1 405 . 14 1 1 A 40 40 PRO CA C 40 63.257 62.275 0.982 1
1 406 . 14 1 1 A 40 40 PRO HA H 40 4.475 4.650 -0.175 1
1 407 . 14 1 1 A 40 40 PRO CB C 40 32.139 32.660 -0.521 1
1 416 . 14 1 1 A 45 45 SER CA C 45 58.385 56.683 1.702 1
1 417 . 14 1 1 A 45 45 SER HA H 45 4.458 4.808 -0.350 1
1 418 . 14 1 1 A 45 45 SER CB C 45 64.084 66.044 -1.960 1
1 420 . 14 1 1 A 45 45 SER C C 45 173.896 173.470 0.426 1
1 1 . 15 1 1 A 6 6 SER CA C 6 58.575 58.971 -0.396 1
1 2 . 15 1 1 A 6 6 SER HA H 6 4.453 4.164 0.289 1
1 3 . 15 1 1 A 6 6 SER CB C 6 63.817 61.190 2.627 1
1 5 . 15 1 1 A 6 6 SER C C 6 175.107 174.184 0.923 1
1 7 . 15 1 1 A 7 7 GLY N N 7 110.865 110.041 0.824 1
1 8 . 15 1 1 A 7 7 GLY H H 7 8.455 7.873 0.582 1
1 9 . 15 1 1 A 7 7 GLY CA C 7 45.447 45.556 -0.109 1
1 10 . 15 1 1 A 7 7 GLY HA3 H 7 4.006 4.005 0.001 1
1 11 . 15 1 1 A 7 7 GLY C C 7 174.454 174.943 -0.489 1
1 12 . 15 1 1 A 7 7 GLY HA2 H 7 4.006 4.001 0.005 1
1 13 . 15 1 1 A 8 8 THR N N 8 112.847 115.710 -2.863 1
1 14 . 15 1 1 A 8 8 THR H H 8 8.139 8.736 -0.597 1
1 15 . 15 1 1 A 8 8 THR CA C 8 61.905 66.557 -4.652 1
1 16 . 15 1 1 A 8 8 THR HA H 8 4.353 3.866 0.487 1
1 17 . 15 1 1 A 8 8 THR CB C 8 69.843 69.192 0.651 1
1 23 . 15 1 1 A 8 8 THR C C 8 175.228 175.258 -0.030 1
1 24 . 15 1 1 A 9 9 GLY N N 9 110.821 108.231 2.590 1
1 25 . 15 1 1 A 9 9 GLY H H 9 8.421 8.112 0.309 1
1 26 . 15 1 1 A 9 9 GLY CA C 9 45.254 46.854 -1.600 1
1 27 . 15 1 1 A 9 9 GLY HA3 H 9 3.949 3.882 0.067 1
1 28 . 15 1 1 A 9 9 GLY C C 9 174.011 174.675 -0.664 1
1 29 . 15 1 1 A 9 9 GLY HA2 H 9 3.892 3.878 0.014 1
1 30 . 15 1 1 A 10 10 GLU N N 10 120.237 120.039 0.198 1
1 31 . 15 1 1 A 10 10 GLU H H 10 8.182 7.880 0.302 1
1 32 . 15 1 1 A 10 10 GLU CA C 10 56.937 55.319 1.618 1
1 33 . 15 1 1 A 10 10 GLU HA H 10 4.144 4.418 -0.274 1
1 34 . 15 1 1 A 10 10 GLU CB C 10 30.378 29.225 1.153 1
1 38 . 15 1 1 A 10 10 GLU C C 10 176.184 175.019 1.165 1
1 41 . 15 1 1 A 11 11 LYS N N 11 121.342 125.504 -4.162 1
1 42 . 15 1 1 A 11 11 LYS H H 11 8.229 7.970 0.259 1
1 43 . 15 1 1 A 11 11 LYS CA C 11 53.834 52.897 0.937 1
1 44 . 15 1 1 A 11 11 LYS HA H 11 4.484 4.740 -0.256 1
1 45 . 15 1 1 A 11 11 LYS CB C 11 32.967 34.049 -1.082 1
1 57 . 15 1 1 A 12 12 PRO CA C 12 63.387 64.737 -1.350 1
1 58 . 15 1 1 A 12 12 PRO HA H 12 4.316 4.281 0.035 1
1 59 . 15 1 1 A 12 12 PRO CB C 12 32.242 31.801 0.441 1
1 65 . 15 1 1 A 12 12 PRO C C 12 176.139 175.823 0.316 1
1 69 . 15 1 1 A 13 13 TYR N N 13 118.364 118.452 -0.088 1
1 70 . 15 1 1 A 13 13 TYR H H 13 7.941 7.721 0.220 1
1 71 . 15 1 1 A 13 13 TYR CA C 13 57.734 57.671 0.063 1
1 72 . 15 1 1 A 13 13 TYR HA H 13 4.583 5.012 -0.429 1
1 73 . 15 1 1 A 13 13 TYR CB C 13 38.810 40.391 -1.581 1
1 83 . 15 1 1 A 13 13 TYR C C 13 174.591 175.401 -0.810 1
1 85 . 15 1 1 A 14 14 ASN N N 14 121.715 119.984 1.731 1
1 86 . 15 1 1 A 14 14 ASN H H 14 8.714 8.969 -0.255 1
1 87 . 15 1 1 A 14 14 ASN CA C 14 52.503 52.449 0.054 1
1 88 . 15 1 1 A 14 14 ASN HA H 14 5.345 5.481 -0.136 1
1 89 . 15 1 1 A 14 14 ASN CB C 14 41.570 42.428 -0.858 1
1 94 . 15 1 1 A 14 14 ASN C C 14 173.463 174.487 -1.024 1
1 96 . 15 1 1 A 15 15 CYS N N 15 124.857 123.993 0.864 1
1 97 . 15 1 1 A 15 15 CYS H H 15 9.202 9.357 -0.155 1
1 98 . 15 1 1 A 15 15 CYS CA C 15 59.089 59.394 -0.305 1
1 99 . 15 1 1 A 15 15 CYS HA H 15 4.627 4.729 -0.102 1
1 100 . 15 1 1 A 15 15 CYS CB C 15 29.702 28.532 1.170 1
1 102 . 15 1 1 A 15 15 CYS C C 15 177.005 175.352 1.653 1
1 104 . 15 1 1 A 16 16 LYS N N 16 131.671 128.080 3.591 1
1 105 . 15 1 1 A 16 16 LYS H H 16 9.303 8.860 0.443 1
1 106 . 15 1 1 A 16 16 LYS CA C 16 58.569 58.956 -0.387 1
1 107 . 15 1 1 A 16 16 LYS HA H 16 4.162 4.128 0.034 1
1 108 . 15 1 1 A 16 16 LYS CB C 16 32.192 32.503 -0.311 1
1 116 . 15 1 1 A 16 16 LYS C C 16 177.048 178.978 -1.930 1
1 121 . 15 1 1 A 17 17 GLU N N 17 119.887 119.712 0.175 1
1 122 . 15 1 1 A 17 17 GLU H H 17 8.581 8.383 0.198 1
1 123 . 15 1 1 A 17 17 GLU CA C 17 58.433 59.238 -0.805 1
1 124 . 15 1 1 A 17 17 GLU HA H 17 4.186 3.960 0.226 1
1 125 . 15 1 1 A 17 17 GLU CB C 17 29.328 28.820 0.508 1
1 129 . 15 1 1 A 17 17 GLU C C 17 177.219 178.620 -1.401 1
1 132 . 15 1 1 A 18 18 CYS N N 18 114.441 115.130 -0.689 1
1 133 . 15 1 1 A 18 18 CYS H H 18 7.918 7.857 0.061 1
1 134 . 15 1 1 A 18 18 CYS CA C 18 58.398 59.808 -1.410 1
1 135 . 15 1 1 A 18 18 CYS HA H 18 5.178 4.604 0.574 1
1 136 . 15 1 1 A 18 18 CYS CB C 18 32.515 29.443 3.072 1
1 138 . 15 1 1 A 18 18 CYS C C 18 176.163 175.271 0.892 1
1 140 . 15 1 1 A 19 19 GLY N N 19 113.399 110.420 2.979 1
1 141 . 15 1 1 A 19 19 GLY H H 19 8.276 7.808 0.468 1
1 142 . 15 1 1 A 19 19 GLY CA C 19 46.239 45.337 0.902 1
1 143 . 15 1 1 A 19 19 GLY HA3 H 19 4.238 4.081 0.157 1
1 144 . 15 1 1 A 19 19 GLY C C 19 174.108 174.235 -0.127 1
1 145 . 15 1 1 A 19 19 GLY HA2 H 19 3.895 4.073 -0.178 1
1 146 . 15 1 1 A 20 20 LYS N N 20 122.801 119.455 3.346 1
1 147 . 15 1 1 A 20 20 LYS H H 20 7.927 7.955 -0.028 1
1 148 . 15 1 1 A 20 20 LYS CA C 20 58.073 54.803 3.270 1
1 149 . 15 1 1 A 20 20 LYS HA H 20 4.028 4.665 -0.637 1
1 150 . 15 1 1 A 20 20 LYS CB C 20 33.995 34.428 -0.433 1
1 158 . 15 1 1 A 20 20 LYS C C 20 174.252 175.233 -0.981 1
1 163 . 15 1 1 A 21 21 SER N N 21 115.354 115.152 0.202 1
1 164 . 15 1 1 A 21 21 SER H H 21 7.753 8.573 -0.820 1
1 165 . 15 1 1 A 21 21 SER CA C 21 56.907 56.428 0.479 1
1 166 . 15 1 1 A 21 21 SER HA H 21 5.264 5.395 -0.131 1
1 167 . 15 1 1 A 21 21 SER CB C 21 65.905 66.244 -0.339 1
1 169 . 15 1 1 A 21 21 SER C C 21 173.109 172.248 0.861 1
1 171 . 15 1 1 A 22 22 PHE N N 22 118.558 120.471 -1.913 1
1 172 . 15 1 1 A 22 22 PHE H H 22 8.756 8.521 0.235 1
1 173 . 15 1 1 A 22 22 PHE CA C 22 57.139 56.645 0.494 1
1 174 . 15 1 1 A 22 22 PHE HA H 22 4.743 4.899 -0.156 1
1 175 . 15 1 1 A 22 22 PHE CB C 22 43.854 43.129 0.725 1
1 187 . 15 1 1 A 22 22 PHE C C 22 174.812 175.607 -0.795 1
1 189 . 15 1 1 A 23 23 ARG N N 23 121.492 121.971 -0.479 1
1 190 . 15 1 1 A 23 23 ARG H H 23 9.062 8.852 0.210 1
1 191 . 15 1 1 A 23 23 ARG CA C 23 58.297 58.642 -0.345 1
1 192 . 15 1 1 A 23 23 ARG HA H 23 4.148 4.294 -0.146 1
1 193 . 15 1 1 A 23 23 ARG CB C 23 30.777 30.822 -0.045 1
1 199 . 15 1 1 A 23 23 ARG C C 23 175.059 176.446 -1.387 1
1 203 . 15 1 1 A 24 24 TRP N N 24 135.582 118.036 17.546 1
1 204 . 15 1 1 A 24 24 TRP H H 24 7.265 8.034 -0.769 1
1 205 . 15 1 1 A 24 24 TRP CA C 24 55.009 57.020 -2.011 1
1 206 . 15 1 1 A 24 24 TRP HA H 24 5.251 5.054 0.197 1
1 207 . 15 1 1 A 24 24 TRP CB C 24 32.664 31.895 0.769 1
1 221 . 15 1 1 A 24 24 TRP C C 24 176.478 176.167 0.311 1
1 223 . 15 1 1 A 25 25 ALA N N 25 127.796 123.648 4.148 1
1 224 . 15 1 1 A 25 25 ALA H H 25 8.590 8.881 -0.291 1
1 225 . 15 1 1 A 25 25 ALA CA C 25 55.039 54.755 0.284 1
1 226 . 15 1 1 A 25 25 ALA HA H 25 3.100 3.295 -0.195 1
1 227 . 15 1 1 A 25 25 ALA CB C 25 17.676 18.672 -0.996 1
1 231 . 15 1 1 A 26 26 SER CA C 26 61.568 61.274 0.294 1
1 232 . 15 1 1 A 26 26 SER HA H 26 3.889 4.186 -0.297 1
1 233 . 15 1 1 A 26 26 SER CB C 26 60.859 62.401 -1.542 1
1 235 . 15 1 1 A 26 26 SER C C 26 177.407 177.239 0.168 1
1 237 . 15 1 1 A 27 27 CYS N N 27 122.821 119.631 3.190 1
1 238 . 15 1 1 A 27 27 CYS H H 27 7.093 8.148 -1.055 1
1 239 . 15 1 1 A 27 27 CYS CA C 27 62.747 64.258 -1.511 1
1 240 . 15 1 1 A 27 27 CYS HA H 27 4.000 4.136 -0.136 1
1 241 . 15 1 1 A 27 27 CYS CB C 27 28.498 27.553 0.945 1
1 242 . 15 1 1 A 27 27 CYS C C 27 178.084 176.617 1.467 1
1 244 . 15 1 1 A 28 28 LEU N N 28 121.440 121.135 0.305 1
1 245 . 15 1 1 A 28 28 LEU H H 28 6.965 7.748 -0.783 1
1 246 . 15 1 1 A 28 28 LEU CA C 28 57.672 56.731 0.941 1
1 247 . 15 1 1 A 28 28 LEU HA H 28 3.210 2.389 0.821 1
1 248 . 15 1 1 A 28 28 LEU CB C 28 40.463 41.515 -1.052 1
1 260 . 15 1 1 A 28 28 LEU C C 28 177.411 177.696 -0.285 1
1 262 . 15 1 1 A 29 29 LEU N N 29 119.582 119.851 -0.269 1
1 263 . 15 1 1 A 29 29 LEU H H 29 7.918 8.026 -0.108 1
1 264 . 15 1 1 A 29 29 LEU CA C 29 58.172 58.641 -0.469 1
1 265 . 15 1 1 A 29 29 LEU HA H 29 4.085 3.888 0.197 1
1 266 . 15 1 1 A 29 29 LEU CB C 29 41.634 41.598 0.036 1
1 278 . 15 1 1 A 29 29 LEU C C 29 179.868 178.539 1.329 1
1 280 . 15 1 1 A 30 30 LYS N N 30 117.949 118.264 -0.315 1
1 281 . 15 1 1 A 30 30 LYS H H 30 7.494 7.999 -0.505 1
1 282 . 15 1 1 A 30 30 LYS CA C 30 59.428 58.812 0.616 1
1 283 . 15 1 1 A 30 30 LYS HA H 30 3.947 3.968 -0.021 1
1 284 . 15 1 1 A 30 30 LYS CB C 30 32.538 32.349 0.189 1
1 292 . 15 1 1 A 30 30 LYS C C 30 179.147 178.733 0.414 1
1 297 . 15 1 1 A 31 31 HIS N N 31 118.910 119.977 -1.067 1
1 298 . 15 1 1 A 31 31 HIS H H 31 7.688 8.068 -0.380 1
1 299 . 15 1 1 A 31 31 HIS CA C 31 58.850 59.824 -0.974 1
1 300 . 15 1 1 A 31 31 HIS HA H 31 4.237 4.239 -0.002 1
1 301 . 15 1 1 A 31 31 HIS CB C 31 28.584 29.823 -1.239 1
1 307 . 15 1 1 A 31 31 HIS C C 31 176.001 176.928 -0.927 1
1 309 . 15 1 1 A 32 32 GLN N N 32 115.428 117.228 -1.800 1
1 310 . 15 1 1 A 32 32 GLN H H 32 8.230 8.196 0.034 1
1 311 . 15 1 1 A 32 32 GLN CA C 32 59.190 59.104 0.086 1
1 312 . 15 1 1 A 32 32 GLN HA H 32 3.706 3.784 -0.078 1
1 313 . 15 1 1 A 32 32 GLN CB C 32 28.135 28.192 -0.057 1
1 320 . 15 1 1 A 32 32 GLN C C 32 177.623 178.533 -0.910 1
1 323 . 15 1 1 A 33 33 ARG N N 33 118.204 120.520 -2.316 1
1 324 . 15 1 1 A 33 33 ARG H H 33 7.197 7.797 -0.600 1
1 325 . 15 1 1 A 33 33 ARG CA C 33 58.506 59.133 -0.627 1
1 326 . 15 1 1 A 33 33 ARG HA H 33 4.134 3.918 0.216 1
1 327 . 15 1 1 A 33 33 ARG CB C 33 29.842 30.010 -0.168 1
1 333 . 15 1 1 A 33 33 ARG C C 33 178.649 177.997 0.652 1
1 337 . 15 1 1 A 34 34 VAL N N 34 116.486 116.802 -0.316 1
1 338 . 15 1 1 A 34 34 VAL H H 34 7.902 7.971 -0.069 1
1 339 . 15 1 1 A 34 34 VAL CA C 34 64.123 65.507 -1.384 1
1 340 . 15 1 1 A 34 34 VAL HA H 34 3.905 3.728 0.177 1
1 341 . 15 1 1 A 34 34 VAL CB C 34 31.069 31.043 0.026 1
1 351 . 15 1 1 A 34 34 VAL C C 34 177.281 178.116 -0.835 1
1 352 . 15 1 1 A 35 35 HIS N N 35 117.033 120.372 -3.339 1
1 353 . 15 1 1 A 35 35 HIS H H 35 7.126 7.882 -0.756 1
1 354 . 15 1 1 A 35 35 HIS CA C 35 54.996 58.789 -3.793 1
1 355 . 15 1 1 A 35 35 HIS HA H 35 4.875 4.369 0.506 1
1 356 . 15 1 1 A 35 35 HIS CB C 35 28.704 30.815 -2.111 1
1 362 . 15 1 1 A 35 35 HIS C C 35 175.499 176.076 -0.577 1
1 364 . 15 1 1 A 36 36 SER N N 36 114.731 113.946 0.785 1
1 365 . 15 1 1 A 36 36 SER H H 36 7.792 7.658 0.134 1
1 366 . 15 1 1 A 36 36 SER CA C 36 59.098 58.197 0.901 1
1 367 . 15 1 1 A 36 36 SER HA H 36 4.463 4.344 0.119 1
1 368 . 15 1 1 A 36 36 SER CB C 36 64.002 63.455 0.547 1
1 370 . 15 1 1 A 36 36 SER C C 36 175.139 173.976 1.163 1
1 372 . 15 1 1 A 37 37 GLY N N 37 110.777 113.603 -2.826 1
1 373 . 15 1 1 A 37 37 GLY H H 37 8.316 8.394 -0.078 1
1 374 . 15 1 1 A 37 37 GLY CA C 37 45.362 45.879 -0.517 1
1 375 . 15 1 1 A 37 37 GLY HA3 H 37 4.002 4.186 -0.184 1
1 376 . 15 1 1 A 37 37 GLY C C 37 174.036 172.437 1.599 1
1 377 . 15 1 1 A 37 37 GLY HA2 H 37 4.002 4.185 -0.183 1
1 378 . 15 1 1 A 38 38 GLU N N 38 120.515 120.346 0.169 1
1 379 . 15 1 1 A 38 38 GLU H H 38 8.100 8.457 -0.357 1
1 380 . 15 1 1 A 38 38 GLU CA C 38 56.424 57.328 -0.904 1
1 381 . 15 1 1 A 38 38 GLU HA H 38 4.269 4.293 -0.024 1
1 382 . 15 1 1 A 38 38 GLU CB C 38 30.494 30.347 0.147 1
1 386 . 15 1 1 A 38 38 GLU C C 38 176.249 175.386 0.863 1
1 389 . 15 1 1 A 39 39 LYS N N 39 123.799 127.002 -3.203 1
1 390 . 15 1 1 A 39 39 LYS H H 39 8.409 8.497 -0.088 1
1 391 . 15 1 1 A 39 39 LYS CA C 39 54.163 53.397 0.766 1
1 392 . 15 1 1 A 39 39 LYS HA H 39 4.622 4.635 -0.013 1
1 393 . 15 1 1 A 39 39 LYS CB C 39 32.492 36.300 -3.808 1
1 405 . 15 1 1 A 40 40 PRO CA C 40 63.257 64.588 -1.331 1
1 406 . 15 1 1 A 40 40 PRO HA H 40 4.475 4.426 0.049 1
1 407 . 15 1 1 A 40 40 PRO CB C 40 32.139 32.328 -0.189 1
1 416 . 15 1 1 A 45 45 SER CA C 45 58.385 57.209 1.176 1
1 417 . 15 1 1 A 45 45 SER HA H 45 4.458 5.028 -0.570 1
1 418 . 15 1 1 A 45 45 SER CB C 45 64.084 64.560 -0.476 1
1 420 . 15 1 1 A 45 45 SER C C 45 173.896 173.204 0.692 1
1 1 . 16 1 1 A 6 6 SER CA C 6 58.575 56.605 1.970 1
1 2 . 16 1 1 A 6 6 SER HA H 6 4.453 4.983 -0.530 1
1 3 . 16 1 1 A 6 6 SER CB C 6 63.817 65.015 -1.198 1
1 5 . 16 1 1 A 6 6 SER C C 6 175.107 173.923 1.184 1
1 7 . 16 1 1 A 7 7 GLY N N 7 110.865 113.273 -2.408 1
1 8 . 16 1 1 A 7 7 GLY H H 7 8.455 8.556 -0.101 1
1 9 . 16 1 1 A 7 7 GLY CA C 7 45.447 45.706 -0.259 1
1 10 . 16 1 1 A 7 7 GLY HA3 H 7 4.006 4.002 0.004 1
1 11 . 16 1 1 A 7 7 GLY C C 7 174.454 174.121 0.333 1
1 12 . 16 1 1 A 7 7 GLY HA2 H 7 4.006 3.996 0.010 1
1 13 . 16 1 1 A 8 8 THR N N 8 112.847 113.607 -0.760 1
1 14 . 16 1 1 A 8 8 THR H H 8 8.139 7.837 0.302 1
1 15 . 16 1 1 A 8 8 THR CA C 8 61.905 60.229 1.676 1
1 16 . 16 1 1 A 8 8 THR HA H 8 4.353 4.696 -0.343 1
1 17 . 16 1 1 A 8 8 THR CB C 8 69.843 71.777 -1.934 1
1 23 . 16 1 1 A 8 8 THR C C 8 175.228 173.961 1.267 1
1 24 . 16 1 1 A 9 9 GLY N N 9 110.821 115.599 -4.778 1
1 25 . 16 1 1 A 9 9 GLY H H 9 8.421 8.694 -0.273 1
1 26 . 16 1 1 A 9 9 GLY CA C 9 45.254 45.360 -0.106 1
1 27 . 16 1 1 A 9 9 GLY HA3 H 9 3.949 3.895 0.054 1
1 28 . 16 1 1 A 9 9 GLY C C 9 174.011 172.723 1.288 1
1 29 . 16 1 1 A 9 9 GLY HA2 H 9 3.892 3.892 0.000 1
1 30 . 16 1 1 A 10 10 GLU N N 10 120.237 120.661 -0.424 1
1 31 . 16 1 1 A 10 10 GLU H H 10 8.182 8.436 -0.254 1
1 32 . 16 1 1 A 10 10 GLU CA C 10 56.937 55.747 1.190 1
1 33 . 16 1 1 A 10 10 GLU HA H 10 4.144 4.892 -0.748 1
1 34 . 16 1 1 A 10 10 GLU CB C 10 30.378 33.216 -2.838 1
1 38 . 16 1 1 A 10 10 GLU C C 10 176.184 174.699 1.485 1
1 41 . 16 1 1 A 11 11 LYS N N 11 121.342 126.383 -5.041 1
1 42 . 16 1 1 A 11 11 LYS H H 11 8.229 8.684 -0.455 1
1 43 . 16 1 1 A 11 11 LYS CA C 11 53.834 53.380 0.454 1
1 44 . 16 1 1 A 11 11 LYS HA H 11 4.484 4.669 -0.185 1
1 45 . 16 1 1 A 11 11 LYS CB C 11 32.967 32.370 0.597 1
1 57 . 16 1 1 A 12 12 PRO CA C 12 63.387 64.962 -1.575 1
1 58 . 16 1 1 A 12 12 PRO HA H 12 4.316 4.281 0.035 1
1 59 . 16 1 1 A 12 12 PRO CB C 12 32.242 31.587 0.655 1
1 65 . 16 1 1 A 12 12 PRO C C 12 176.139 175.885 0.254 1
1 69 . 16 1 1 A 13 13 TYR N N 13 118.364 118.161 0.203 1
1 70 . 16 1 1 A 13 13 TYR H H 13 7.941 7.756 0.185 1
1 71 . 16 1 1 A 13 13 TYR CA C 13 57.734 58.133 -0.399 1
1 72 . 16 1 1 A 13 13 TYR HA H 13 4.583 4.778 -0.195 1
1 73 . 16 1 1 A 13 13 TYR CB C 13 38.810 40.241 -1.431 1
1 83 . 16 1 1 A 13 13 TYR C C 13 174.591 175.532 -0.941 1
1 85 . 16 1 1 A 14 14 ASN N N 14 121.715 117.933 3.782 1
1 86 . 16 1 1 A 14 14 ASN H H 14 8.714 9.248 -0.534 1
1 87 . 16 1 1 A 14 14 ASN CA C 14 52.503 51.712 0.791 1
1 88 . 16 1 1 A 14 14 ASN HA H 14 5.345 5.784 -0.439 1
1 89 . 16 1 1 A 14 14 ASN CB C 14 41.570 41.957 -0.387 1
1 94 . 16 1 1 A 14 14 ASN C C 14 173.463 173.513 -0.050 1
1 96 . 16 1 1 A 15 15 CYS N N 15 124.857 123.964 0.893 1
1 97 . 16 1 1 A 15 15 CYS H H 15 9.202 9.076 0.126 1
1 98 . 16 1 1 A 15 15 CYS CA C 15 59.089 59.774 -0.685 1
1 99 . 16 1 1 A 15 15 CYS HA H 15 4.627 4.605 0.022 1
1 100 . 16 1 1 A 15 15 CYS CB C 15 29.702 28.650 1.052 1
1 102 . 16 1 1 A 15 15 CYS C C 15 177.005 175.613 1.392 1
1 104 . 16 1 1 A 16 16 LYS N N 16 131.671 127.806 3.865 1
1 105 . 16 1 1 A 16 16 LYS H H 16 9.303 9.002 0.301 1
1 106 . 16 1 1 A 16 16 LYS CA C 16 58.569 58.387 0.182 1
1 107 . 16 1 1 A 16 16 LYS HA H 16 4.162 4.262 -0.100 1
1 108 . 16 1 1 A 16 16 LYS CB C 16 32.192 32.404 -0.212 1
1 116 . 16 1 1 A 16 16 LYS C C 16 177.048 178.585 -1.537 1
1 121 . 16 1 1 A 17 17 GLU N N 17 119.887 118.729 1.158 1
1 122 . 16 1 1 A 17 17 GLU H H 17 8.581 8.233 0.348 1
1 123 . 16 1 1 A 17 17 GLU CA C 17 58.433 59.060 -0.627 1
1 124 . 16 1 1 A 17 17 GLU HA H 17 4.186 3.900 0.286 1
1 125 . 16 1 1 A 17 17 GLU CB C 17 29.328 28.697 0.631 1
1 129 . 16 1 1 A 17 17 GLU C C 17 177.219 178.487 -1.268 1
1 132 . 16 1 1 A 18 18 CYS N N 18 114.441 114.965 -0.524 1
1 133 . 16 1 1 A 18 18 CYS H H 18 7.918 7.703 0.215 1
1 134 . 16 1 1 A 18 18 CYS CA C 18 58.398 59.873 -1.475 1
1 135 . 16 1 1 A 18 18 CYS HA H 18 5.178 4.548 0.630 1
1 136 . 16 1 1 A 18 18 CYS CB C 18 32.515 29.408 3.107 1
1 138 . 16 1 1 A 18 18 CYS C C 18 176.163 175.361 0.802 1
1 140 . 16 1 1 A 19 19 GLY N N 19 113.399 110.004 3.395 1
1 141 . 16 1 1 A 19 19 GLY H H 19 8.276 8.133 0.143 1
1 142 . 16 1 1 A 19 19 GLY CA C 19 46.239 45.453 0.786 1
1 143 . 16 1 1 A 19 19 GLY HA3 H 19 4.238 4.078 0.160 1
1 144 . 16 1 1 A 19 19 GLY C C 19 174.108 174.131 -0.023 1
1 145 . 16 1 1 A 19 19 GLY HA2 H 19 3.895 4.067 -0.172 1
1 146 . 16 1 1 A 20 20 LYS N N 20 122.801 119.210 3.591 1
1 147 . 16 1 1 A 20 20 LYS H H 20 7.927 7.841 0.086 1
1 148 . 16 1 1 A 20 20 LYS CA C 20 58.073 54.660 3.413 1
1 149 . 16 1 1 A 20 20 LYS HA H 20 4.028 4.627 -0.599 1
1 150 . 16 1 1 A 20 20 LYS CB C 20 33.995 34.480 -0.485 1
1 158 . 16 1 1 A 20 20 LYS C C 20 174.252 175.007 -0.755 1
1 163 . 16 1 1 A 21 21 SER N N 21 115.354 111.907 3.447 1
1 164 . 16 1 1 A 21 21 SER H H 21 7.753 8.417 -0.664 1
1 165 . 16 1 1 A 21 21 SER CA C 21 56.907 56.523 0.384 1
1 166 . 16 1 1 A 21 21 SER HA H 21 5.264 5.329 -0.065 1
1 167 . 16 1 1 A 21 21 SER CB C 21 65.905 66.515 -0.610 1
1 169 . 16 1 1 A 21 21 SER C C 21 173.109 172.636 0.473 1
1 171 . 16 1 1 A 22 22 PHE N N 22 118.558 118.144 0.414 1
1 172 . 16 1 1 A 22 22 PHE H H 22 8.756 8.521 0.235 1
1 173 . 16 1 1 A 22 22 PHE CA C 22 57.139 56.813 0.326 1
1 174 . 16 1 1 A 22 22 PHE HA H 22 4.743 4.960 -0.217 1
1 175 . 16 1 1 A 22 22 PHE CB C 22 43.854 43.507 0.347 1
1 187 . 16 1 1 A 22 22 PHE C C 22 174.812 175.816 -1.004 1
1 189 . 16 1 1 A 23 23 ARG N N 23 121.492 120.715 0.777 1
1 190 . 16 1 1 A 23 23 ARG H H 23 9.062 9.154 -0.092 1
1 191 . 16 1 1 A 23 23 ARG CA C 23 58.297 57.627 0.670 1
1 192 . 16 1 1 A 23 23 ARG HA H 23 4.148 4.440 -0.292 1
1 193 . 16 1 1 A 23 23 ARG CB C 23 30.777 30.904 -0.127 1
1 199 . 16 1 1 A 23 23 ARG C C 23 175.059 176.564 -1.505 1
1 203 . 16 1 1 A 24 24 TRP N N 24 135.582 118.904 16.678 1
1 204 . 16 1 1 A 24 24 TRP H H 24 7.265 7.921 -0.656 1
1 205 . 16 1 1 A 24 24 TRP CA C 24 55.009 57.317 -2.308 1
1 206 . 16 1 1 A 24 24 TRP HA H 24 5.251 4.909 0.342 1
1 207 . 16 1 1 A 24 24 TRP CB C 24 32.664 31.370 1.294 1
1 221 . 16 1 1 A 24 24 TRP C C 24 176.478 176.123 0.355 1
1 223 . 16 1 1 A 25 25 ALA N N 25 127.796 125.986 1.810 1
1 224 . 16 1 1 A 25 25 ALA H H 25 8.590 8.955 -0.365 1
1 225 . 16 1 1 A 25 25 ALA CA C 25 55.039 55.009 0.030 1
1 226 . 16 1 1 A 25 25 ALA HA H 25 3.100 3.009 0.091 1
1 227 . 16 1 1 A 25 25 ALA CB C 25 17.676 18.483 -0.807 1
1 231 . 16 1 1 A 26 26 SER CA C 26 61.568 62.164 -0.596 1
1 232 . 16 1 1 A 26 26 SER HA H 26 3.889 3.994 -0.105 1
1 233 . 16 1 1 A 26 26 SER CB C 26 60.859 62.539 -1.680 1
1 235 . 16 1 1 A 26 26 SER C C 26 177.407 176.633 0.774 1
1 237 . 16 1 1 A 27 27 CYS N N 27 122.821 119.544 3.277 1
1 238 . 16 1 1 A 27 27 CYS H H 27 7.093 8.361 -1.268 1
1 239 . 16 1 1 A 27 27 CYS CA C 27 62.747 63.367 -0.620 1
1 240 . 16 1 1 A 27 27 CYS HA H 27 4.000 3.940 0.060 1
1 241 . 16 1 1 A 27 27 CYS CB C 27 28.498 27.088 1.410 1
1 242 . 16 1 1 A 27 27 CYS C C 27 178.084 176.725 1.359 1
1 244 . 16 1 1 A 28 28 LEU N N 28 121.440 120.823 0.617 1
1 245 . 16 1 1 A 28 28 LEU H H 28 6.965 7.588 -0.623 1
1 246 . 16 1 1 A 28 28 LEU CA C 28 57.672 57.559 0.113 1
1 247 . 16 1 1 A 28 28 LEU HA H 28 3.210 3.012 0.198 1
1 248 . 16 1 1 A 28 28 LEU CB C 28 40.463 41.582 -1.119 1
1 260 . 16 1 1 A 28 28 LEU C C 28 177.411 177.894 -0.483 1
1 262 . 16 1 1 A 29 29 LEU N N 29 119.582 119.497 0.085 1
1 263 . 16 1 1 A 29 29 LEU H H 29 7.918 7.799 0.119 1
1 264 . 16 1 1 A 29 29 LEU CA C 29 58.172 58.358 -0.186 1
1 265 . 16 1 1 A 29 29 LEU HA H 29 4.085 3.941 0.144 1
1 266 . 16 1 1 A 29 29 LEU CB C 29 41.634 41.339 0.295 1
1 278 . 16 1 1 A 29 29 LEU C C 29 179.868 178.378 1.490 1
1 280 . 16 1 1 A 30 30 LYS N N 30 117.949 118.468 -0.519 1
1 281 . 16 1 1 A 30 30 LYS H H 30 7.494 8.101 -0.607 1
1 282 . 16 1 1 A 30 30 LYS CA C 30 59.428 58.997 0.431 1
1 283 . 16 1 1 A 30 30 LYS HA H 30 3.947 3.911 0.036 1
1 284 . 16 1 1 A 30 30 LYS CB C 30 32.538 32.032 0.506 1
1 292 . 16 1 1 A 30 30 LYS C C 30 179.147 178.860 0.287 1
1 297 . 16 1 1 A 31 31 HIS N N 31 118.910 119.850 -0.940 1
1 298 . 16 1 1 A 31 31 HIS H H 31 7.688 7.737 -0.049 1
1 299 . 16 1 1 A 31 31 HIS CA C 31 58.850 60.097 -1.247 1
1 300 . 16 1 1 A 31 31 HIS HA H 31 4.237 4.121 0.116 1
1 301 . 16 1 1 A 31 31 HIS CB C 31 28.584 29.442 -0.858 1
1 307 . 16 1 1 A 31 31 HIS C C 31 176.001 177.168 -1.167 1
1 309 . 16 1 1 A 32 32 GLN N N 32 115.428 117.337 -1.909 1
1 310 . 16 1 1 A 32 32 GLN H H 32 8.230 8.069 0.161 1
1 311 . 16 1 1 A 32 32 GLN CA C 32 59.190 58.877 0.313 1
1 312 . 16 1 1 A 32 32 GLN HA H 32 3.706 3.714 -0.008 1
1 313 . 16 1 1 A 32 32 GLN CB C 32 28.135 28.272 -0.137 1
1 320 . 16 1 1 A 32 32 GLN C C 32 177.623 178.724 -1.101 1
1 323 . 16 1 1 A 33 33 ARG N N 33 118.204 120.323 -2.119 1
1 324 . 16 1 1 A 33 33 ARG H H 33 7.197 7.903 -0.706 1
1 325 . 16 1 1 A 33 33 ARG CA C 33 58.506 59.070 -0.564 1
1 326 . 16 1 1 A 33 33 ARG HA H 33 4.134 3.913 0.221 1
1 327 . 16 1 1 A 33 33 ARG CB C 33 29.842 29.840 0.002 1
1 333 . 16 1 1 A 33 33 ARG C C 33 178.649 178.281 0.368 1
1 337 . 16 1 1 A 34 34 VAL N N 34 116.486 116.784 -0.298 1
1 338 . 16 1 1 A 34 34 VAL H H 34 7.902 7.677 0.225 1
1 339 . 16 1 1 A 34 34 VAL CA C 34 64.123 65.246 -1.123 1
1 340 . 16 1 1 A 34 34 VAL HA H 34 3.905 3.753 0.152 1
1 341 . 16 1 1 A 34 34 VAL CB C 34 31.069 31.112 -0.043 1
1 351 . 16 1 1 A 34 34 VAL C C 34 177.281 177.121 0.160 1
1 352 . 16 1 1 A 35 35 HIS N N 35 117.033 119.990 -2.957 1
1 353 . 16 1 1 A 35 35 HIS H H 35 7.126 7.729 -0.603 1
1 354 . 16 1 1 A 35 35 HIS CA C 35 54.996 55.768 -0.772 1
1 355 . 16 1 1 A 35 35 HIS HA H 35 4.875 4.624 0.251 1
1 356 . 16 1 1 A 35 35 HIS CB C 35 28.704 29.032 -0.328 1
1 362 . 16 1 1 A 35 35 HIS C C 35 175.499 175.253 0.246 1
1 364 . 16 1 1 A 36 36 SER N N 36 114.731 115.886 -1.155 1
1 365 . 16 1 1 A 36 36 SER H H 36 7.792 8.479 -0.687 1
1 366 . 16 1 1 A 36 36 SER CA C 36 59.098 59.341 -0.243 1
1 367 . 16 1 1 A 36 36 SER HA H 36 4.463 4.712 -0.249 1
1 368 . 16 1 1 A 36 36 SER CB C 36 64.002 65.712 -1.710 1
1 370 . 16 1 1 A 36 36 SER C C 36 175.139 176.083 -0.944 1
1 372 . 16 1 1 A 37 37 GLY N N 37 110.777 108.885 1.892 1
1 373 . 16 1 1 A 37 37 GLY H H 37 8.316 7.718 0.598 1
1 374 . 16 1 1 A 37 37 GLY CA C 37 45.362 46.740 -1.378 1
1 375 . 16 1 1 A 37 37 GLY HA3 H 37 4.002 3.760 0.242 1
1 376 . 16 1 1 A 37 37 GLY C C 37 174.036 174.666 -0.630 1
1 377 . 16 1 1 A 37 37 GLY HA2 H 37 4.002 3.752 0.250 1
1 378 . 16 1 1 A 38 38 GLU N N 38 120.515 119.734 0.781 1
1 379 . 16 1 1 A 38 38 GLU H H 38 8.100 7.761 0.339 1
1 380 . 16 1 1 A 38 38 GLU CA C 38 56.424 56.898 -0.474 1
1 381 . 16 1 1 A 38 38 GLU HA H 38 4.269 4.231 0.038 1
1 382 . 16 1 1 A 38 38 GLU CB C 38 30.494 30.362 0.132 1
1 386 . 16 1 1 A 38 38 GLU C C 38 176.249 175.854 0.395 1
1 389 . 16 1 1 A 39 39 LYS N N 39 123.799 127.094 -3.295 1
1 390 . 16 1 1 A 39 39 LYS H H 39 8.409 8.478 -0.069 1
1 391 . 16 1 1 A 39 39 LYS CA C 39 54.163 53.155 1.008 1
1 392 . 16 1 1 A 39 39 LYS HA H 39 4.622 4.623 -0.001 1
1 393 . 16 1 1 A 39 39 LYS CB C 39 32.492 36.618 -4.126 1
1 405 . 16 1 1 A 40 40 PRO CA C 40 63.257 64.203 -0.946 1
1 406 . 16 1 1 A 40 40 PRO HA H 40 4.475 4.365 0.110 1
1 407 . 16 1 1 A 40 40 PRO CB C 40 32.139 32.030 0.109 1
1 416 . 16 1 1 A 45 45 SER CA C 45 58.385 57.630 0.755 1
1 417 . 16 1 1 A 45 45 SER HA H 45 4.458 4.622 -0.164 1
1 418 . 16 1 1 A 45 45 SER CB C 45 64.084 62.199 1.885 1
1 420 . 16 1 1 A 45 45 SER C C 45 173.896 174.517 -0.621 1
1 1 . 17 1 1 A 6 6 SER CA C 6 58.575 61.938 -3.363 1
1 2 . 17 1 1 A 6 6 SER HA H 6 4.453 4.361 0.092 1
1 3 . 17 1 1 A 6 6 SER CB C 6 63.817 63.381 0.436 1
1 5 . 17 1 1 A 6 6 SER C C 6 175.107 174.895 0.212 1
1 7 . 17 1 1 A 7 7 GLY N N 7 110.865 104.855 6.010 1
1 8 . 17 1 1 A 7 7 GLY H H 7 8.455 7.382 1.073 1
1 9 . 17 1 1 A 7 7 GLY CA C 7 45.447 46.042 -0.595 1
1 10 . 17 1 1 A 7 7 GLY HA3 H 7 4.006 4.013 -0.007 1
1 11 . 17 1 1 A 7 7 GLY C C 7 174.454 172.640 1.814 1
1 12 . 17 1 1 A 7 7 GLY HA2 H 7 4.006 4.009 -0.003 1
1 13 . 17 1 1 A 8 8 THR N N 8 112.847 114.623 -1.776 1
1 14 . 17 1 1 A 8 8 THR H H 8 8.139 8.399 -0.260 1
1 15 . 17 1 1 A 8 8 THR CA C 8 61.905 60.938 0.967 1
1 16 . 17 1 1 A 8 8 THR HA H 8 4.353 4.627 -0.274 1
1 17 . 17 1 1 A 8 8 THR CB C 8 69.843 69.339 0.504 1
1 23 . 17 1 1 A 8 8 THR C C 8 175.228 173.596 1.632 1
1 24 . 17 1 1 A 9 9 GLY N N 9 110.821 110.025 0.796 1
1 25 . 17 1 1 A 9 9 GLY H H 9 8.421 7.232 1.189 1
1 26 . 17 1 1 A 9 9 GLY CA C 9 45.254 45.586 -0.332 1
1 27 . 17 1 1 A 9 9 GLY HA3 H 9 3.949 4.002 -0.053 1
1 28 . 17 1 1 A 9 9 GLY C C 9 174.011 172.100 1.911 1
1 29 . 17 1 1 A 9 9 GLY HA2 H 9 3.892 4.001 -0.109 1
1 30 . 17 1 1 A 10 10 GLU N N 10 120.237 120.732 -0.495 1
1 31 . 17 1 1 A 10 10 GLU H H 10 8.182 8.854 -0.672 1
1 32 . 17 1 1 A 10 10 GLU CA C 10 56.937 54.369 2.568 1
1 33 . 17 1 1 A 10 10 GLU HA H 10 4.144 5.060 -0.916 1
1 34 . 17 1 1 A 10 10 GLU CB C 10 30.378 31.748 -1.370 1
1 38 . 17 1 1 A 10 10 GLU C C 10 176.184 175.325 0.859 1
1 41 . 17 1 1 A 11 11 LYS N N 11 121.342 120.313 1.029 1
1 42 . 17 1 1 A 11 11 LYS H H 11 8.229 8.507 -0.278 1
1 43 . 17 1 1 A 11 11 LYS CA C 11 53.834 52.754 1.080 1
1 44 . 17 1 1 A 11 11 LYS HA H 11 4.484 4.751 -0.267 1
1 45 . 17 1 1 A 11 11 LYS CB C 11 32.967 33.926 -0.959 1
1 57 . 17 1 1 A 12 12 PRO CA C 12 63.387 64.772 -1.385 1
1 58 . 17 1 1 A 12 12 PRO HA H 12 4.316 4.254 0.062 1
1 59 . 17 1 1 A 12 12 PRO CB C 12 32.242 31.666 0.576 1
1 65 . 17 1 1 A 12 12 PRO C C 12 176.139 175.871 0.268 1
1 69 . 17 1 1 A 13 13 TYR N N 13 118.364 118.147 0.217 1
1 70 . 17 1 1 A 13 13 TYR H H 13 7.941 7.314 0.627 1
1 71 . 17 1 1 A 13 13 TYR CA C 13 57.734 57.884 -0.150 1
1 72 . 17 1 1 A 13 13 TYR HA H 13 4.583 4.886 -0.303 1
1 73 . 17 1 1 A 13 13 TYR CB C 13 38.810 40.111 -1.301 1
1 83 . 17 1 1 A 13 13 TYR C C 13 174.591 175.511 -0.920 1
1 85 . 17 1 1 A 14 14 ASN N N 14 121.715 117.832 3.883 1
1 86 . 17 1 1 A 14 14 ASN H H 14 8.714 9.241 -0.527 1
1 87 . 17 1 1 A 14 14 ASN CA C 14 52.503 51.493 1.010 1
1 88 . 17 1 1 A 14 14 ASN HA H 14 5.345 5.865 -0.520 1
1 89 . 17 1 1 A 14 14 ASN CB C 14 41.570 42.291 -0.721 1
1 94 . 17 1 1 A 14 14 ASN C C 14 173.463 173.539 -0.076 1
1 96 . 17 1 1 A 15 15 CYS N N 15 124.857 123.661 1.196 1
1 97 . 17 1 1 A 15 15 CYS H H 15 9.202 9.165 0.037 1
1 98 . 17 1 1 A 15 15 CYS CA C 15 59.089 59.792 -0.703 1
1 99 . 17 1 1 A 15 15 CYS HA H 15 4.627 4.583 0.044 1
1 100 . 17 1 1 A 15 15 CYS CB C 15 29.702 28.616 1.086 1
1 102 . 17 1 1 A 15 15 CYS C C 15 177.005 174.604 2.401 1
1 104 . 17 1 1 A 16 16 LYS N N 16 131.671 127.631 4.040 1
1 105 . 17 1 1 A 16 16 LYS H H 16 9.303 8.939 0.364 1
1 106 . 17 1 1 A 16 16 LYS CA C 16 58.569 56.935 1.634 1
1 107 . 17 1 1 A 16 16 LYS HA H 16 4.162 4.392 -0.230 1
1 108 . 17 1 1 A 16 16 LYS CB C 16 32.192 32.461 -0.269 1
1 116 . 17 1 1 A 16 16 LYS C C 16 177.048 178.302 -1.254 1
1 121 . 17 1 1 A 17 17 GLU N N 17 119.887 119.835 0.052 1
1 122 . 17 1 1 A 17 17 GLU H H 17 8.581 8.212 0.369 1
1 123 . 17 1 1 A 17 17 GLU CA C 17 58.433 59.111 -0.678 1
1 124 . 17 1 1 A 17 17 GLU HA H 17 4.186 3.937 0.249 1
1 125 . 17 1 1 A 17 17 GLU CB C 17 29.328 28.680 0.648 1
1 129 . 17 1 1 A 17 17 GLU C C 17 177.219 178.382 -1.163 1
1 132 . 17 1 1 A 18 18 CYS N N 18 114.441 114.901 -0.460 1
1 133 . 17 1 1 A 18 18 CYS H H 18 7.918 7.895 0.023 1
1 134 . 17 1 1 A 18 18 CYS CA C 18 58.398 59.758 -1.360 1
1 135 . 17 1 1 A 18 18 CYS HA H 18 5.178 4.631 0.547 1
1 136 . 17 1 1 A 18 18 CYS CB C 18 32.515 29.561 2.954 1
1 138 . 17 1 1 A 18 18 CYS C C 18 176.163 175.370 0.793 1
1 140 . 17 1 1 A 19 19 GLY N N 19 113.399 110.030 3.369 1
1 141 . 17 1 1 A 19 19 GLY H H 19 8.276 8.092 0.184 1
1 142 . 17 1 1 A 19 19 GLY CA C 19 46.239 45.468 0.771 1
1 143 . 17 1 1 A 19 19 GLY HA3 H 19 4.238 4.099 0.139 1
1 144 . 17 1 1 A 19 19 GLY C C 19 174.108 174.273 -0.165 1
1 145 . 17 1 1 A 19 19 GLY HA2 H 19 3.895 4.084 -0.189 1
1 146 . 17 1 1 A 20 20 LYS N N 20 122.801 119.431 3.370 1
1 147 . 17 1 1 A 20 20 LYS H H 20 7.927 7.957 -0.030 1
1 148 . 17 1 1 A 20 20 LYS CA C 20 58.073 54.780 3.293 1
1 149 . 17 1 1 A 20 20 LYS HA H 20 4.028 4.640 -0.612 1
1 150 . 17 1 1 A 20 20 LYS CB C 20 33.995 34.250 -0.255 1
1 158 . 17 1 1 A 20 20 LYS C C 20 174.252 175.515 -1.263 1
1 163 . 17 1 1 A 21 21 SER N N 21 115.354 116.052 -0.698 1
1 164 . 17 1 1 A 21 21 SER H H 21 7.753 8.495 -0.742 1
1 165 . 17 1 1 A 21 21 SER CA C 21 56.907 56.888 0.019 1
1 166 . 17 1 1 A 21 21 SER HA H 21 5.264 5.572 -0.308 1
1 167 . 17 1 1 A 21 21 SER CB C 21 65.905 66.440 -0.535 1
1 169 . 17 1 1 A 21 21 SER C C 21 173.109 172.787 0.322 1
1 171 . 17 1 1 A 22 22 PHE N N 22 118.558 119.694 -1.136 1
1 172 . 17 1 1 A 22 22 PHE H H 22 8.756 8.878 -0.122 1
1 173 . 17 1 1 A 22 22 PHE CA C 22 57.139 56.544 0.595 1
1 174 . 17 1 1 A 22 22 PHE HA H 22 4.743 4.818 -0.075 1
1 175 . 17 1 1 A 22 22 PHE CB C 22 43.854 43.023 0.831 1
1 187 . 17 1 1 A 22 22 PHE C C 22 174.812 175.507 -0.695 1
1 189 . 17 1 1 A 23 23 ARG N N 23 121.492 124.115 -2.623 1
1 190 . 17 1 1 A 23 23 ARG H H 23 9.062 8.873 0.189 1
1 191 . 17 1 1 A 23 23 ARG CA C 23 58.297 58.044 0.253 1
1 192 . 17 1 1 A 23 23 ARG HA H 23 4.148 4.171 -0.023 1
1 193 . 17 1 1 A 23 23 ARG CB C 23 30.777 30.737 0.040 1
1 199 . 17 1 1 A 23 23 ARG C C 23 175.059 175.697 -0.638 1
1 203 . 17 1 1 A 24 24 TRP N N 24 135.582 118.023 17.559 1
1 204 . 17 1 1 A 24 24 TRP H H 24 7.265 7.983 -0.718 1
1 205 . 17 1 1 A 24 24 TRP CA C 24 55.009 56.742 -1.733 1
1 206 . 17 1 1 A 24 24 TRP HA H 24 5.251 5.090 0.161 1
1 207 . 17 1 1 A 24 24 TRP CB C 24 32.664 31.603 1.061 1
1 221 . 17 1 1 A 24 24 TRP C C 24 176.478 176.255 0.223 1
1 223 . 17 1 1 A 25 25 ALA N N 25 127.796 125.500 2.296 1
1 224 . 17 1 1 A 25 25 ALA H H 25 8.590 8.638 -0.048 1
1 225 . 17 1 1 A 25 25 ALA CA C 25 55.039 54.962 0.077 1
1 226 . 17 1 1 A 25 25 ALA HA H 25 3.100 3.051 0.049 1
1 227 . 17 1 1 A 25 25 ALA CB C 25 17.676 18.048 -0.372 1
1 231 . 17 1 1 A 26 26 SER CA C 26 61.568 61.249 0.319 1
1 232 . 17 1 1 A 26 26 SER HA H 26 3.889 4.145 -0.256 1
1 233 . 17 1 1 A 26 26 SER CB C 26 60.859 62.538 -1.679 1
1 235 . 17 1 1 A 26 26 SER C C 26 177.407 176.926 0.481 1
1 237 . 17 1 1 A 27 27 CYS N N 27 122.821 119.344 3.477 1
1 238 . 17 1 1 A 27 27 CYS H H 27 7.093 8.239 -1.146 1
1 239 . 17 1 1 A 27 27 CYS CA C 27 62.747 63.955 -1.208 1
1 240 . 17 1 1 A 27 27 CYS HA H 27 4.000 4.154 -0.154 1
1 241 . 17 1 1 A 27 27 CYS CB C 27 28.498 27.685 0.813 1
1 242 . 17 1 1 A 27 27 CYS C C 27 178.084 176.746 1.338 1
1 244 . 17 1 1 A 28 28 LEU N N 28 121.440 120.895 0.545 1
1 245 . 17 1 1 A 28 28 LEU H H 28 6.965 7.860 -0.895 1
1 246 . 17 1 1 A 28 28 LEU CA C 28 57.672 56.994 0.678 1
1 247 . 17 1 1 A 28 28 LEU HA H 28 3.210 2.353 0.857 1
1 248 . 17 1 1 A 28 28 LEU CB C 28 40.463 41.077 -0.614 1
1 260 . 17 1 1 A 28 28 LEU C C 28 177.411 177.739 -0.328 1
1 262 . 17 1 1 A 29 29 LEU N N 29 119.582 119.612 -0.030 1
1 263 . 17 1 1 A 29 29 LEU H H 29 7.918 7.805 0.113 1
1 264 . 17 1 1 A 29 29 LEU CA C 29 58.172 58.268 -0.096 1
1 265 . 17 1 1 A 29 29 LEU HA H 29 4.085 3.909 0.176 1
1 266 . 17 1 1 A 29 29 LEU CB C 29 41.634 41.548 0.086 1
1 278 . 17 1 1 A 29 29 LEU C C 29 179.868 178.339 1.529 1
1 280 . 17 1 1 A 30 30 LYS N N 30 117.949 119.143 -1.194 1
1 281 . 17 1 1 A 30 30 LYS H H 30 7.494 8.384 -0.890 1
1 282 . 17 1 1 A 30 30 LYS CA C 30 59.428 59.024 0.404 1
1 283 . 17 1 1 A 30 30 LYS HA H 30 3.947 3.926 0.021 1
1 284 . 17 1 1 A 30 30 LYS CB C 30 32.538 31.984 0.554 1
1 292 . 17 1 1 A 30 30 LYS C C 30 179.147 178.755 0.392 1
1 297 . 17 1 1 A 31 31 HIS N N 31 118.910 119.430 -0.520 1
1 298 . 17 1 1 A 31 31 HIS H H 31 7.688 7.731 -0.043 1
1 299 . 17 1 1 A 31 31 HIS CA C 31 58.850 60.105 -1.255 1
1 300 . 17 1 1 A 31 31 HIS HA H 31 4.237 4.213 0.024 1
1 301 . 17 1 1 A 31 31 HIS CB C 31 28.584 29.672 -1.088 1
1 307 . 17 1 1 A 31 31 HIS C C 31 176.001 177.120 -1.119 1
1 309 . 17 1 1 A 32 32 GLN N N 32 115.428 117.528 -2.100 1
1 310 . 17 1 1 A 32 32 GLN H H 32 8.230 8.023 0.207 1
1 311 . 17 1 1 A 32 32 GLN CA C 32 59.190 59.046 0.144 1
1 312 . 17 1 1 A 32 32 GLN HA H 32 3.706 3.805 -0.099 1
1 313 . 17 1 1 A 32 32 GLN CB C 32 28.135 28.212 -0.077 1
1 320 . 17 1 1 A 32 32 GLN C C 32 177.623 178.616 -0.993 1
1 323 . 17 1 1 A 33 33 ARG N N 33 118.204 120.629 -2.425 1
1 324 . 17 1 1 A 33 33 ARG H H 33 7.197 7.778 -0.581 1
1 325 . 17 1 1 A 33 33 ARG CA C 33 58.506 58.977 -0.471 1
1 326 . 17 1 1 A 33 33 ARG HA H 33 4.134 3.934 0.200 1
1 327 . 17 1 1 A 33 33 ARG CB C 33 29.842 29.855 -0.013 1
1 333 . 17 1 1 A 33 33 ARG C C 33 178.649 178.264 0.385 1
1 337 . 17 1 1 A 34 34 VAL N N 34 116.486 116.945 -0.459 1
1 338 . 17 1 1 A 34 34 VAL H H 34 7.902 7.903 -0.001 1
1 339 . 17 1 1 A 34 34 VAL CA C 34 64.123 65.388 -1.265 1
1 340 . 17 1 1 A 34 34 VAL HA H 34 3.905 3.727 0.178 1
1 341 . 17 1 1 A 34 34 VAL CB C 34 31.069 31.017 0.052 1
1 351 . 17 1 1 A 34 34 VAL C C 34 177.281 177.631 -0.350 1
1 352 . 17 1 1 A 35 35 HIS N N 35 117.033 120.879 -3.846 1
1 353 . 17 1 1 A 35 35 HIS H H 35 7.126 7.517 -0.391 1
1 354 . 17 1 1 A 35 35 HIS CA C 35 54.996 59.007 -4.011 1
1 355 . 17 1 1 A 35 35 HIS HA H 35 4.875 4.376 0.499 1
1 356 . 17 1 1 A 35 35 HIS CB C 35 28.704 29.995 -1.291 1
1 362 . 17 1 1 A 35 35 HIS C C 35 175.499 177.862 -2.363 1
1 364 . 17 1 1 A 36 36 SER N N 36 114.731 114.735 -0.004 1
1 365 . 17 1 1 A 36 36 SER H H 36 7.792 8.107 -0.315 1
1 366 . 17 1 1 A 36 36 SER CA C 36 59.098 61.708 -2.610 1
1 367 . 17 1 1 A 36 36 SER HA H 36 4.463 4.125 0.338 1
1 368 . 17 1 1 A 36 36 SER CB C 36 64.002 63.088 0.914 1
1 370 . 17 1 1 A 36 36 SER C C 36 175.139 175.424 -0.285 1
1 372 . 17 1 1 A 37 37 GLY N N 37 110.777 107.445 3.332 1
1 373 . 17 1 1 A 37 37 GLY H H 37 8.316 7.157 1.159 1
1 374 . 17 1 1 A 37 37 GLY CA C 37 45.362 45.741 -0.379 1
1 375 . 17 1 1 A 37 37 GLY HA3 H 37 4.002 4.061 -0.059 1
1 376 . 17 1 1 A 37 37 GLY C C 37 174.036 173.016 1.020 1
1 377 . 17 1 1 A 37 37 GLY HA2 H 37 4.002 4.055 -0.053 1
1 378 . 17 1 1 A 38 38 GLU N N 38 120.515 120.838 -0.323 1
1 379 . 17 1 1 A 38 38 GLU H H 38 8.100 7.777 0.323 1
1 380 . 17 1 1 A 38 38 GLU CA C 38 56.424 55.430 0.994 1
1 381 . 17 1 1 A 38 38 GLU HA H 38 4.269 4.973 -0.704 1
1 382 . 17 1 1 A 38 38 GLU CB C 38 30.494 33.170 -2.676 1
1 386 . 17 1 1 A 38 38 GLU C C 38 176.249 174.592 1.657 1
1 389 . 17 1 1 A 39 39 LYS N N 39 123.799 125.928 -2.129 1
1 390 . 17 1 1 A 39 39 LYS H H 39 8.409 8.813 -0.404 1
1 391 . 17 1 1 A 39 39 LYS CA C 39 54.163 53.459 0.704 1
1 392 . 17 1 1 A 39 39 LYS HA H 39 4.622 4.986 -0.364 1
1 393 . 17 1 1 A 39 39 LYS CB C 39 32.492 33.252 -0.760 1
1 405 . 17 1 1 A 40 40 PRO CA C 40 63.257 62.769 0.488 1
1 406 . 17 1 1 A 40 40 PRO HA H 40 4.475 4.606 -0.131 1
1 407 . 17 1 1 A 40 40 PRO CB C 40 32.139 33.134 -0.995 1
1 416 . 17 1 1 A 45 45 SER CA C 45 58.385 58.384 0.001 1
1 417 . 17 1 1 A 45 45 SER HA H 45 4.458 4.527 -0.069 1
1 418 . 17 1 1 A 45 45 SER CB C 45 64.084 63.751 0.333 1
1 420 . 17 1 1 A 45 45 SER C C 45 173.896 175.442 -1.546 1
1 1 . 18 1 1 A 6 6 SER CA C 6 58.575 57.176 1.399 1
1 2 . 18 1 1 A 6 6 SER HA H 6 4.453 4.656 -0.203 1
1 3 . 18 1 1 A 6 6 SER CB C 6 63.817 63.397 0.420 1
1 5 . 18 1 1 A 6 6 SER C C 6 175.107 173.711 1.396 1
1 7 . 18 1 1 A 7 7 GLY N N 7 110.865 115.090 -4.225 1
1 8 . 18 1 1 A 7 7 GLY H H 7 8.455 8.383 0.072 1
1 9 . 18 1 1 A 7 7 GLY CA C 7 45.447 46.212 -0.765 1
1 10 . 18 1 1 A 7 7 GLY HA3 H 7 4.006 4.024 -0.018 1
1 11 . 18 1 1 A 7 7 GLY C C 7 174.454 174.362 0.092 1
1 12 . 18 1 1 A 7 7 GLY HA2 H 7 4.006 4.023 -0.017 1
1 13 . 18 1 1 A 8 8 THR N N 8 112.847 112.282 0.565 1
1 14 . 18 1 1 A 8 8 THR H H 8 8.139 7.671 0.468 1
1 15 . 18 1 1 A 8 8 THR CA C 8 61.905 61.545 0.360 1
1 16 . 18 1 1 A 8 8 THR HA H 8 4.353 4.392 -0.039 1
1 17 . 18 1 1 A 8 8 THR CB C 8 69.843 69.865 -0.022 1
1 23 . 18 1 1 A 8 8 THR C C 8 175.228 174.949 0.279 1
1 24 . 18 1 1 A 9 9 GLY N N 9 110.821 108.408 2.413 1
1 25 . 18 1 1 A 9 9 GLY H H 9 8.421 8.446 -0.025 1
1 26 . 18 1 1 A 9 9 GLY CA C 9 45.254 44.359 0.895 1
1 27 . 18 1 1 A 9 9 GLY HA3 H 9 3.949 4.017 -0.068 1
1 28 . 18 1 1 A 9 9 GLY C C 9 174.011 172.968 1.043 1
1 29 . 18 1 1 A 9 9 GLY HA2 H 9 3.892 4.013 -0.121 1
1 30 . 18 1 1 A 10 10 GLU N N 10 120.237 119.755 0.482 1
1 31 . 18 1 1 A 10 10 GLU H H 10 8.182 8.539 -0.357 1
1 32 . 18 1 1 A 10 10 GLU CA C 10 56.937 55.120 1.817 1
1 33 . 18 1 1 A 10 10 GLU HA H 10 4.144 4.789 -0.645 1
1 34 . 18 1 1 A 10 10 GLU CB C 10 30.378 30.298 0.080 1
1 38 . 18 1 1 A 10 10 GLU C C 10 176.184 175.602 0.582 1
1 41 . 18 1 1 A 11 11 LYS N N 11 121.342 125.239 -3.897 1
1 42 . 18 1 1 A 11 11 LYS H H 11 8.229 8.554 -0.325 1
1 43 . 18 1 1 A 11 11 LYS CA C 11 53.834 54.865 -1.031 1
1 44 . 18 1 1 A 11 11 LYS HA H 11 4.484 4.274 0.210 1
1 45 . 18 1 1 A 11 11 LYS CB C 11 32.967 31.899 1.068 1
1 57 . 18 1 1 A 12 12 PRO CA C 12 63.387 64.801 -1.414 1
1 58 . 18 1 1 A 12 12 PRO HA H 12 4.316 4.274 0.042 1
1 59 . 18 1 1 A 12 12 PRO CB C 12 32.242 31.742 0.500 1
1 65 . 18 1 1 A 12 12 PRO C C 12 176.139 175.803 0.336 1
1 69 . 18 1 1 A 13 13 TYR N N 13 118.364 118.458 -0.094 1
1 70 . 18 1 1 A 13 13 TYR H H 13 7.941 7.757 0.184 1
1 71 . 18 1 1 A 13 13 TYR CA C 13 57.734 57.665 0.069 1
1 72 . 18 1 1 A 13 13 TYR HA H 13 4.583 4.963 -0.380 1
1 73 . 18 1 1 A 13 13 TYR CB C 13 38.810 40.226 -1.416 1
1 83 . 18 1 1 A 13 13 TYR C C 13 174.591 175.396 -0.805 1
1 85 . 18 1 1 A 14 14 ASN N N 14 121.715 118.317 3.398 1
1 86 . 18 1 1 A 14 14 ASN H H 14 8.714 9.261 -0.547 1
1 87 . 18 1 1 A 14 14 ASN CA C 14 52.503 52.111 0.392 1
1 88 . 18 1 1 A 14 14 ASN HA H 14 5.345 5.915 -0.570 1
1 89 . 18 1 1 A 14 14 ASN CB C 14 41.570 40.923 0.647 1
1 94 . 18 1 1 A 14 14 ASN C C 14 173.463 173.837 -0.374 1
1 96 . 18 1 1 A 15 15 CYS N N 15 124.857 124.591 0.266 1
1 97 . 18 1 1 A 15 15 CYS H H 15 9.202 8.968 0.234 1
1 98 . 18 1 1 A 15 15 CYS CA C 15 59.089 60.060 -0.971 1
1 99 . 18 1 1 A 15 15 CYS HA H 15 4.627 4.436 0.191 1
1 100 . 18 1 1 A 15 15 CYS CB C 15 29.702 28.696 1.006 1
1 102 . 18 1 1 A 15 15 CYS C C 15 177.005 174.880 2.125 1
1 104 . 18 1 1 A 16 16 LYS N N 16 131.671 127.014 4.657 1
1 105 . 18 1 1 A 16 16 LYS H H 16 9.303 8.812 0.491 1
1 106 . 18 1 1 A 16 16 LYS CA C 16 58.569 57.031 1.538 1
1 107 . 18 1 1 A 16 16 LYS HA H 16 4.162 4.368 -0.206 1
1 108 . 18 1 1 A 16 16 LYS CB C 16 32.192 33.026 -0.834 1
1 116 . 18 1 1 A 16 16 LYS C C 16 177.048 178.659 -1.611 1
1 121 . 18 1 1 A 17 17 GLU N N 17 119.887 119.379 0.508 1
1 122 . 18 1 1 A 17 17 GLU H H 17 8.581 8.120 0.461 1
1 123 . 18 1 1 A 17 17 GLU CA C 17 58.433 59.172 -0.739 1
1 124 . 18 1 1 A 17 17 GLU HA H 17 4.186 3.930 0.256 1
1 125 . 18 1 1 A 17 17 GLU CB C 17 29.328 28.664 0.664 1
1 129 . 18 1 1 A 17 17 GLU C C 17 177.219 178.457 -1.238 1
1 132 . 18 1 1 A 18 18 CYS N N 18 114.441 114.978 -0.537 1
1 133 . 18 1 1 A 18 18 CYS H H 18 7.918 7.750 0.168 1
1 134 . 18 1 1 A 18 18 CYS CA C 18 58.398 59.752 -1.354 1
1 135 . 18 1 1 A 18 18 CYS HA H 18 5.178 4.548 0.630 1
1 136 . 18 1 1 A 18 18 CYS CB C 18 32.515 29.503 3.012 1
1 138 . 18 1 1 A 18 18 CYS C C 18 176.163 175.400 0.763 1
1 140 . 18 1 1 A 19 19 GLY N N 19 113.399 110.272 3.127 1
1 141 . 18 1 1 A 19 19 GLY H H 19 8.276 8.221 0.055 1
1 142 . 18 1 1 A 19 19 GLY CA C 19 46.239 45.817 0.422 1
1 143 . 18 1 1 A 19 19 GLY HA3 H 19 4.238 4.020 0.218 1
1 144 . 18 1 1 A 19 19 GLY C C 19 174.108 174.221 -0.113 1
1 145 . 18 1 1 A 19 19 GLY HA2 H 19 3.895 4.007 -0.112 1
1 146 . 18 1 1 A 20 20 LYS N N 20 122.801 119.233 3.568 1
1 147 . 18 1 1 A 20 20 LYS H H 20 7.927 7.895 0.032 1
1 148 . 18 1 1 A 20 20 LYS CA C 20 58.073 54.711 3.362 1
1 149 . 18 1 1 A 20 20 LYS HA H 20 4.028 4.663 -0.635 1
1 150 . 18 1 1 A 20 20 LYS CB C 20 33.995 34.431 -0.436 1
1 158 . 18 1 1 A 20 20 LYS C C 20 174.252 175.351 -1.099 1
1 163 . 18 1 1 A 21 21 SER N N 21 115.354 112.435 2.919 1
1 164 . 18 1 1 A 21 21 SER H H 21 7.753 8.519 -0.766 1
1 165 . 18 1 1 A 21 21 SER CA C 21 56.907 55.492 1.415 1
1 166 . 18 1 1 A 21 21 SER HA H 21 5.264 5.565 -0.301 1
1 167 . 18 1 1 A 21 21 SER CB C 21 65.905 66.505 -0.600 1
1 169 . 18 1 1 A 21 21 SER C C 21 173.109 173.131 -0.022 1
1 171 . 18 1 1 A 22 22 PHE N N 22 118.558 117.911 0.647 1
1 172 . 18 1 1 A 22 22 PHE H H 22 8.756 8.591 0.165 1
1 173 . 18 1 1 A 22 22 PHE CA C 22 57.139 56.573 0.566 1
1 174 . 18 1 1 A 22 22 PHE HA H 22 4.743 4.840 -0.097 1
1 175 . 18 1 1 A 22 22 PHE CB C 22 43.854 43.273 0.581 1
1 187 . 18 1 1 A 22 22 PHE C C 22 174.812 175.529 -0.717 1
1 189 . 18 1 1 A 23 23 ARG N N 23 121.492 124.144 -2.652 1
1 190 . 18 1 1 A 23 23 ARG H H 23 9.062 8.864 0.198 1
1 191 . 18 1 1 A 23 23 ARG CA C 23 58.297 58.387 -0.090 1
1 192 . 18 1 1 A 23 23 ARG HA H 23 4.148 4.247 -0.099 1
1 193 . 18 1 1 A 23 23 ARG CB C 23 30.777 31.103 -0.326 1
1 199 . 18 1 1 A 23 23 ARG C C 23 175.059 175.604 -0.545 1
1 203 . 18 1 1 A 24 24 TRP N N 24 135.582 118.080 17.502 1
1 204 . 18 1 1 A 24 24 TRP H H 24 7.265 8.053 -0.788 1
1 205 . 18 1 1 A 24 24 TRP CA C 24 55.009 57.095 -2.086 1
1 206 . 18 1 1 A 24 24 TRP HA H 24 5.251 4.983 0.268 1
1 207 . 18 1 1 A 24 24 TRP CB C 24 32.664 31.392 1.272 1
1 221 . 18 1 1 A 24 24 TRP C C 24 176.478 176.630 -0.152 1
1 223 . 18 1 1 A 25 25 ALA N N 25 127.796 126.232 1.564 1
1 224 . 18 1 1 A 25 25 ALA H H 25 8.590 8.914 -0.324 1
1 225 . 18 1 1 A 25 25 ALA CA C 25 55.039 55.188 -0.149 1
1 226 . 18 1 1 A 25 25 ALA HA H 25 3.100 3.389 -0.289 1
1 227 . 18 1 1 A 25 25 ALA CB C 25 17.676 18.209 -0.533 1
1 231 . 18 1 1 A 26 26 SER CA C 26 61.568 62.273 -0.705 1
1 232 . 18 1 1 A 26 26 SER HA H 26 3.889 4.011 -0.122 1
1 233 . 18 1 1 A 26 26 SER CB C 26 60.859 62.524 -1.665 1
1 235 . 18 1 1 A 26 26 SER C C 26 177.407 176.636 0.771 1
1 237 . 18 1 1 A 27 27 CYS N N 27 122.821 119.590 3.231 1
1 238 . 18 1 1 A 27 27 CYS H H 27 7.093 8.448 -1.355 1
1 239 . 18 1 1 A 27 27 CYS CA C 27 62.747 63.284 -0.537 1
1 240 . 18 1 1 A 27 27 CYS HA H 27 4.000 4.094 -0.094 1
1 241 . 18 1 1 A 27 27 CYS CB C 27 28.498 27.148 1.350 1
1 242 . 18 1 1 A 27 27 CYS C C 27 178.084 177.028 1.056 1
1 244 . 18 1 1 A 28 28 LEU N N 28 121.440 121.239 0.201 1
1 245 . 18 1 1 A 28 28 LEU H H 28 6.965 7.853 -0.888 1
1 246 . 18 1 1 A 28 28 LEU CA C 28 57.672 57.319 0.353 1
1 247 . 18 1 1 A 28 28 LEU HA H 28 3.210 2.086 1.124 1
1 248 . 18 1 1 A 28 28 LEU CB C 28 40.463 41.071 -0.608 1
1 260 . 18 1 1 A 28 28 LEU C C 28 177.411 178.177 -0.766 1
1 262 . 18 1 1 A 29 29 LEU N N 29 119.582 118.844 0.738 1
1 263 . 18 1 1 A 29 29 LEU H H 29 7.918 7.992 -0.074 1
1 264 . 18 1 1 A 29 29 LEU CA C 29 58.172 57.962 0.210 1
1 265 . 18 1 1 A 29 29 LEU HA H 29 4.085 3.713 0.372 1
1 266 . 18 1 1 A 29 29 LEU CB C 29 41.634 41.708 -0.074 1
1 278 . 18 1 1 A 29 29 LEU C C 29 179.868 178.669 1.199 1
1 280 . 18 1 1 A 30 30 LYS N N 30 117.949 118.743 -0.794 1
1 281 . 18 1 1 A 30 30 LYS H H 30 7.494 8.119 -0.625 1
1 282 . 18 1 1 A 30 30 LYS CA C 30 59.428 59.437 -0.009 1
1 283 . 18 1 1 A 30 30 LYS HA H 30 3.947 3.933 0.014 1
1 284 . 18 1 1 A 30 30 LYS CB C 30 32.538 32.107 0.431 1
1 292 . 18 1 1 A 30 30 LYS C C 30 179.147 178.676 0.471 1
1 297 . 18 1 1 A 31 31 HIS N N 31 118.910 119.497 -0.587 1
1 298 . 18 1 1 A 31 31 HIS H H 31 7.688 7.543 0.145 1
1 299 . 18 1 1 A 31 31 HIS CA C 31 58.850 59.606 -0.756 1
1 300 . 18 1 1 A 31 31 HIS HA H 31 4.237 4.251 -0.014 1
1 301 . 18 1 1 A 31 31 HIS CB C 31 28.584 30.047 -1.463 1
1 307 . 18 1 1 A 31 31 HIS C C 31 176.001 177.407 -1.406 1
1 309 . 18 1 1 A 32 32 GLN N N 32 115.428 117.969 -2.541 1
1 310 . 18 1 1 A 32 32 GLN H H 32 8.230 8.131 0.099 1
1 311 . 18 1 1 A 32 32 GLN CA C 32 59.190 59.039 0.151 1
1 312 . 18 1 1 A 32 32 GLN HA H 32 3.706 3.713 -0.007 1
1 313 . 18 1 1 A 32 32 GLN CB C 32 28.135 28.248 -0.113 1
1 320 . 18 1 1 A 32 32 GLN C C 32 177.623 178.576 -0.953 1
1 323 . 18 1 1 A 33 33 ARG N N 33 118.204 120.370 -2.166 1
1 324 . 18 1 1 A 33 33 ARG H H 33 7.197 7.593 -0.396 1
1 325 . 18 1 1 A 33 33 ARG CA C 33 58.506 58.951 -0.445 1
1 326 . 18 1 1 A 33 33 ARG HA H 33 4.134 3.920 0.214 1
1 327 . 18 1 1 A 33 33 ARG CB C 33 29.842 29.768 0.074 1
1 333 . 18 1 1 A 33 33 ARG C C 33 178.649 178.272 0.377 1
1 337 . 18 1 1 A 34 34 VAL N N 34 116.486 117.055 -0.569 1
1 338 . 18 1 1 A 34 34 VAL H H 34 7.902 7.736 0.166 1
1 339 . 18 1 1 A 34 34 VAL CA C 34 64.123 65.204 -1.081 1
1 340 . 18 1 1 A 34 34 VAL HA H 34 3.905 3.691 0.214 1
1 341 . 18 1 1 A 34 34 VAL CB C 34 31.069 31.129 -0.060 1
1 351 . 18 1 1 A 34 34 VAL C C 34 177.281 176.712 0.569 1
1 352 . 18 1 1 A 35 35 HIS N N 35 117.033 119.424 -2.391 1
1 353 . 18 1 1 A 35 35 HIS H H 35 7.126 7.789 -0.663 1
1 354 . 18 1 1 A 35 35 HIS CA C 35 54.996 55.371 -0.375 1
1 355 . 18 1 1 A 35 35 HIS HA H 35 4.875 4.620 0.255 1
1 356 . 18 1 1 A 35 35 HIS CB C 35 28.704 28.872 -0.168 1
1 362 . 18 1 1 A 35 35 HIS C C 35 175.499 175.453 0.046 1
1 364 . 18 1 1 A 36 36 SER N N 36 114.731 113.111 1.620 1
1 365 . 18 1 1 A 36 36 SER H H 36 7.792 8.197 -0.405 1
1 366 . 18 1 1 A 36 36 SER CA C 36 59.098 57.538 1.560 1
1 367 . 18 1 1 A 36 36 SER HA H 36 4.463 4.451 0.012 1
1 368 . 18 1 1 A 36 36 SER CB C 36 64.002 63.052 0.950 1
1 370 . 18 1 1 A 36 36 SER C C 36 175.139 174.106 1.033 1
1 372 . 18 1 1 A 37 37 GLY N N 37 110.777 109.318 1.459 1
1 373 . 18 1 1 A 37 37 GLY H H 37 8.316 7.342 0.974 1
1 374 . 18 1 1 A 37 37 GLY CA C 37 45.362 45.767 -0.405 1
1 375 . 18 1 1 A 37 37 GLY HA3 H 37 4.002 4.074 -0.072 1
1 376 . 18 1 1 A 37 37 GLY C C 37 174.036 171.827 2.209 1
1 377 . 18 1 1 A 37 37 GLY HA2 H 37 4.002 4.070 -0.068 1
1 378 . 18 1 1 A 38 38 GLU N N 38 120.515 121.801 -1.286 1
1 379 . 18 1 1 A 38 38 GLU H H 38 8.100 8.586 -0.486 1
1 380 . 18 1 1 A 38 38 GLU CA C 38 56.424 56.070 0.354 1
1 381 . 18 1 1 A 38 38 GLU HA H 38 4.269 4.808 -0.539 1
1 382 . 18 1 1 A 38 38 GLU CB C 38 30.494 30.534 -0.040 1
1 386 . 18 1 1 A 38 38 GLU C C 38 176.249 175.203 1.046 1
1 389 . 18 1 1 A 39 39 LYS N N 39 123.799 128.194 -4.395 1
1 390 . 18 1 1 A 39 39 LYS H H 39 8.409 8.872 -0.463 1
1 391 . 18 1 1 A 39 39 LYS CA C 39 54.163 53.175 0.988 1
1 392 . 18 1 1 A 39 39 LYS HA H 39 4.622 4.845 -0.223 1
1 393 . 18 1 1 A 39 39 LYS CB C 39 32.492 35.763 -3.271 1
1 405 . 18 1 1 A 40 40 PRO CA C 40 63.257 63.004 0.253 1
1 406 . 18 1 1 A 40 40 PRO HA H 40 4.475 4.744 -0.269 1
1 407 . 18 1 1 A 40 40 PRO CB C 40 32.139 31.744 0.395 1
1 416 . 18 1 1 A 45 45 SER CA C 45 58.385 59.783 -1.398 1
1 417 . 18 1 1 A 45 45 SER HA H 45 4.458 4.141 0.317 1
1 418 . 18 1 1 A 45 45 SER CB C 45 64.084 63.165 0.919 1
1 420 . 18 1 1 A 45 45 SER C C 45 173.896 175.269 -1.373 1
1 1 . 19 1 1 A 6 6 SER CA C 6 58.575 57.420 1.155 1
1 2 . 19 1 1 A 6 6 SER HA H 6 4.453 4.392 0.061 1
1 3 . 19 1 1 A 6 6 SER CB C 6 63.817 62.714 1.103 1
1 5 . 19 1 1 A 6 6 SER C C 6 175.107 174.826 0.281 1
1 7 . 19 1 1 A 7 7 GLY N N 7 110.865 109.745 1.120 1
1 8 . 19 1 1 A 7 7 GLY H H 7 8.455 7.661 0.794 1
1 9 . 19 1 1 A 7 7 GLY CA C 7 45.447 45.859 -0.412 1
1 10 . 19 1 1 A 7 7 GLY HA3 H 7 4.006 4.095 -0.089 1
1 11 . 19 1 1 A 7 7 GLY C C 7 174.454 172.995 1.459 1
1 12 . 19 1 1 A 7 7 GLY HA2 H 7 4.006 4.094 -0.088 1
1 13 . 19 1 1 A 8 8 THR N N 8 112.847 115.916 -3.069 1
1 14 . 19 1 1 A 8 8 THR H H 8 8.139 8.183 -0.044 1
1 15 . 19 1 1 A 8 8 THR CA C 8 61.905 60.300 1.605 1
1 16 . 19 1 1 A 8 8 THR HA H 8 4.353 4.893 -0.540 1
1 17 . 19 1 1 A 8 8 THR CB C 8 69.843 70.972 -1.129 1
1 23 . 19 1 1 A 8 8 THR C C 8 175.228 173.706 1.522 1
1 24 . 19 1 1 A 9 9 GLY N N 9 110.821 114.972 -4.151 1
1 25 . 19 1 1 A 9 9 GLY H H 9 8.421 9.008 -0.587 1
1 26 . 19 1 1 A 9 9 GLY CA C 9 45.254 46.345 -1.091 1
1 27 . 19 1 1 A 9 9 GLY HA3 H 9 3.949 3.944 0.005 1
1 28 . 19 1 1 A 9 9 GLY C C 9 174.011 173.389 0.622 1
1 29 . 19 1 1 A 9 9 GLY HA2 H 9 3.892 3.942 -0.050 1
1 30 . 19 1 1 A 10 10 GLU N N 10 120.237 126.711 -6.474 1
1 31 . 19 1 1 A 10 10 GLU H H 10 8.182 8.415 -0.233 1
1 32 . 19 1 1 A 10 10 GLU CA C 10 56.937 56.061 0.876 1
1 33 . 19 1 1 A 10 10 GLU HA H 10 4.144 4.393 -0.249 1
1 34 . 19 1 1 A 10 10 GLU CB C 10 30.378 30.299 0.079 1
1 38 . 19 1 1 A 10 10 GLU C C 10 176.184 176.689 -0.505 1
1 41 . 19 1 1 A 11 11 LYS N N 11 121.342 123.632 -2.290 1
1 42 . 19 1 1 A 11 11 LYS H H 11 8.229 8.567 -0.338 1
1 43 . 19 1 1 A 11 11 LYS CA C 11 53.834 54.937 -1.103 1
1 44 . 19 1 1 A 11 11 LYS HA H 11 4.484 4.276 0.208 1
1 45 . 19 1 1 A 11 11 LYS CB C 11 32.967 31.886 1.081 1
1 57 . 19 1 1 A 12 12 PRO CA C 12 63.387 64.984 -1.597 1
1 58 . 19 1 1 A 12 12 PRO HA H 12 4.316 4.279 0.037 1
1 59 . 19 1 1 A 12 12 PRO CB C 12 32.242 31.616 0.626 1
1 65 . 19 1 1 A 12 12 PRO C C 12 176.139 175.767 0.372 1
1 69 . 19 1 1 A 13 13 TYR N N 13 118.364 118.596 -0.232 1
1 70 . 19 1 1 A 13 13 TYR H H 13 7.941 7.646 0.295 1
1 71 . 19 1 1 A 13 13 TYR CA C 13 57.734 57.864 -0.130 1
1 72 . 19 1 1 A 13 13 TYR HA H 13 4.583 4.819 -0.236 1
1 73 . 19 1 1 A 13 13 TYR CB C 13 38.810 40.322 -1.512 1
1 83 . 19 1 1 A 13 13 TYR C C 13 174.591 175.499 -0.908 1
1 85 . 19 1 1 A 14 14 ASN N N 14 121.715 118.228 3.487 1
1 86 . 19 1 1 A 14 14 ASN H H 14 8.714 9.335 -0.621 1
1 87 . 19 1 1 A 14 14 ASN CA C 14 52.503 52.039 0.464 1
1 88 . 19 1 1 A 14 14 ASN HA H 14 5.345 5.988 -0.643 1
1 89 . 19 1 1 A 14 14 ASN CB C 14 41.570 41.054 0.516 1
1 94 . 19 1 1 A 14 14 ASN C C 14 173.463 173.725 -0.262 1
1 96 . 19 1 1 A 15 15 CYS N N 15 124.857 124.372 0.485 1
1 97 . 19 1 1 A 15 15 CYS H H 15 9.202 8.993 0.209 1
1 98 . 19 1 1 A 15 15 CYS CA C 15 59.089 59.779 -0.690 1
1 99 . 19 1 1 A 15 15 CYS HA H 15 4.627 4.594 0.033 1
1 100 . 19 1 1 A 15 15 CYS CB C 15 29.702 28.621 1.081 1
1 102 . 19 1 1 A 15 15 CYS C C 15 177.005 176.051 0.954 1
1 104 . 19 1 1 A 16 16 LYS N N 16 131.671 125.901 5.770 1
1 105 . 19 1 1 A 16 16 LYS H H 16 9.303 8.499 0.804 1
1 106 . 19 1 1 A 16 16 LYS CA C 16 58.569 59.260 -0.691 1
1 107 . 19 1 1 A 16 16 LYS HA H 16 4.162 4.041 0.121 1
1 108 . 19 1 1 A 16 16 LYS CB C 16 32.192 31.993 0.199 1
1 116 . 19 1 1 A 16 16 LYS C C 16 177.048 178.483 -1.435 1
1 121 . 19 1 1 A 17 17 GLU N N 17 119.887 119.171 0.716 1
1 122 . 19 1 1 A 17 17 GLU H H 17 8.581 8.338 0.243 1
1 123 . 19 1 1 A 17 17 GLU CA C 17 58.433 58.928 -0.495 1
1 124 . 19 1 1 A 17 17 GLU HA H 17 4.186 3.911 0.275 1
1 125 . 19 1 1 A 17 17 GLU CB C 17 29.328 28.656 0.672 1
1 129 . 19 1 1 A 17 17 GLU C C 17 177.219 178.308 -1.089 1
1 132 . 19 1 1 A 18 18 CYS N N 18 114.441 114.797 -0.356 1
1 133 . 19 1 1 A 18 18 CYS H H 18 7.918 7.745 0.173 1
1 134 . 19 1 1 A 18 18 CYS CA C 18 58.398 59.717 -1.319 1
1 135 . 19 1 1 A 18 18 CYS HA H 18 5.178 4.578 0.600 1
1 136 . 19 1 1 A 18 18 CYS CB C 18 32.515 29.535 2.980 1
1 138 . 19 1 1 A 18 18 CYS C C 18 176.163 175.406 0.757 1
1 140 . 19 1 1 A 19 19 GLY N N 19 113.399 110.213 3.186 1
1 141 . 19 1 1 A 19 19 GLY H H 19 8.276 8.220 0.056 1
1 142 . 19 1 1 A 19 19 GLY CA C 19 46.239 45.812 0.427 1
1 143 . 19 1 1 A 19 19 GLY HA3 H 19 4.238 4.067 0.171 1
1 144 . 19 1 1 A 19 19 GLY C C 19 174.108 174.094 0.014 1
1 145 . 19 1 1 A 19 19 GLY HA2 H 19 3.895 4.057 -0.162 1
1 146 . 19 1 1 A 20 20 LYS N N 20 122.801 119.003 3.798 1
1 147 . 19 1 1 A 20 20 LYS H H 20 7.927 7.676 0.251 1
1 148 . 19 1 1 A 20 20 LYS CA C 20 58.073 54.433 3.640 1
1 149 . 19 1 1 A 20 20 LYS HA H 20 4.028 4.770 -0.742 1
1 150 . 19 1 1 A 20 20 LYS CB C 20 33.995 35.366 -1.371 1
1 158 . 19 1 1 A 20 20 LYS C C 20 174.252 175.423 -1.171 1
1 163 . 19 1 1 A 21 21 SER N N 21 115.354 116.386 -1.032 1
1 164 . 19 1 1 A 21 21 SER H H 21 7.753 8.627 -0.874 1
1 165 . 19 1 1 A 21 21 SER CA C 21 56.907 56.863 0.044 1
1 166 . 19 1 1 A 21 21 SER HA H 21 5.264 5.590 -0.326 1
1 167 . 19 1 1 A 21 21 SER CB C 21 65.905 65.922 -0.017 1
1 169 . 19 1 1 A 21 21 SER C C 21 173.109 172.885 0.224 1
1 171 . 19 1 1 A 22 22 PHE N N 22 118.558 122.041 -3.483 1
1 172 . 19 1 1 A 22 22 PHE H H 22 8.756 8.557 0.199 1
1 173 . 19 1 1 A 22 22 PHE CA C 22 57.139 56.445 0.694 1
1 174 . 19 1 1 A 22 22 PHE HA H 22 4.743 4.965 -0.222 1
1 175 . 19 1 1 A 22 22 PHE CB C 22 43.854 43.157 0.697 1
1 187 . 19 1 1 A 22 22 PHE C C 22 174.812 175.768 -0.956 1
1 189 . 19 1 1 A 23 23 ARG N N 23 121.492 121.583 -0.091 1
1 190 . 19 1 1 A 23 23 ARG H H 23 9.062 8.973 0.089 1
1 191 . 19 1 1 A 23 23 ARG CA C 23 58.297 58.388 -0.091 1
1 192 . 19 1 1 A 23 23 ARG HA H 23 4.148 4.354 -0.206 1
1 193 . 19 1 1 A 23 23 ARG CB C 23 30.777 30.810 -0.033 1
1 199 . 19 1 1 A 23 23 ARG C C 23 175.059 176.548 -1.489 1
1 203 . 19 1 1 A 24 24 TRP N N 24 135.582 118.417 17.165 1
1 204 . 19 1 1 A 24 24 TRP H H 24 7.265 8.075 -0.810 1
1 205 . 19 1 1 A 24 24 TRP CA C 24 55.009 57.205 -2.196 1
1 206 . 19 1 1 A 24 24 TRP HA H 24 5.251 5.001 0.250 1
1 207 . 19 1 1 A 24 24 TRP CB C 24 32.664 31.503 1.161 1
1 221 . 19 1 1 A 24 24 TRP C C 24 176.478 176.513 -0.035 1
1 223 . 19 1 1 A 25 25 ALA N N 25 127.796 126.076 1.720 1
1 224 . 19 1 1 A 25 25 ALA H H 25 8.590 8.942 -0.352 1
1 225 . 19 1 1 A 25 25 ALA CA C 25 55.039 55.083 -0.044 1
1 226 . 19 1 1 A 25 25 ALA HA H 25 3.100 3.195 -0.095 1
1 227 . 19 1 1 A 25 25 ALA CB C 25 17.676 18.186 -0.510 1
1 231 . 19 1 1 A 26 26 SER CA C 26 61.568 61.898 -0.330 1
1 232 . 19 1 1 A 26 26 SER HA H 26 3.889 4.060 -0.171 1
1 233 . 19 1 1 A 26 26 SER CB C 26 60.859 62.747 -1.888 1
1 235 . 19 1 1 A 26 26 SER C C 26 177.407 176.121 1.286 1
1 237 . 19 1 1 A 27 27 CYS N N 27 122.821 121.181 1.640 1
1 238 . 19 1 1 A 27 27 CYS H H 27 7.093 8.139 -1.046 1
1 239 . 19 1 1 A 27 27 CYS CA C 27 62.747 62.562 0.185 1
1 240 . 19 1 1 A 27 27 CYS HA H 27 4.000 4.008 -0.008 1
1 241 . 19 1 1 A 27 27 CYS CB C 27 28.498 27.095 1.403 1
1 242 . 19 1 1 A 27 27 CYS C C 27 178.084 177.267 0.817 1
1 244 . 19 1 1 A 28 28 LEU N N 28 121.440 121.890 -0.450 1
1 245 . 19 1 1 A 28 28 LEU H H 28 6.965 7.984 -1.019 1
1 246 . 19 1 1 A 28 28 LEU CA C 28 57.672 57.309 0.363 1
1 247 . 19 1 1 A 28 28 LEU HA H 28 3.210 2.624 0.586 1
1 248 . 19 1 1 A 28 28 LEU CB C 28 40.463 41.079 -0.616 1
1 260 . 19 1 1 A 28 28 LEU C C 28 177.411 178.238 -0.827 1
1 262 . 19 1 1 A 29 29 LEU N N 29 119.582 118.674 0.908 1
1 263 . 19 1 1 A 29 29 LEU H H 29 7.918 7.956 -0.038 1
1 264 . 19 1 1 A 29 29 LEU CA C 29 58.172 57.985 0.187 1
1 265 . 19 1 1 A 29 29 LEU HA H 29 4.085 3.730 0.355 1
1 266 . 19 1 1 A 29 29 LEU CB C 29 41.634 41.780 -0.146 1
1 278 . 19 1 1 A 29 29 LEU C C 29 179.868 178.573 1.295 1
1 280 . 19 1 1 A 30 30 LYS N N 30 117.949 117.182 0.767 1
1 281 . 19 1 1 A 30 30 LYS H H 30 7.494 7.933 -0.439 1
1 282 . 19 1 1 A 30 30 LYS CA C 30 59.428 58.946 0.482 1
1 283 . 19 1 1 A 30 30 LYS HA H 30 3.947 3.980 -0.033 1
1 284 . 19 1 1 A 30 30 LYS CB C 30 32.538 32.351 0.187 1
1 292 . 19 1 1 A 30 30 LYS C C 30 179.147 178.861 0.286 1
1 297 . 19 1 1 A 31 31 HIS N N 31 118.910 120.985 -2.075 1
1 298 . 19 1 1 A 31 31 HIS H H 31 7.688 7.823 -0.135 1
1 299 . 19 1 1 A 31 31 HIS CA C 31 58.850 59.405 -0.555 1
1 300 . 19 1 1 A 31 31 HIS HA H 31 4.237 4.222 0.015 1
1 301 . 19 1 1 A 31 31 HIS CB C 31 28.584 29.680 -1.096 1
1 307 . 19 1 1 A 31 31 HIS C C 31 176.001 177.522 -1.521 1
1 309 . 19 1 1 A 32 32 GLN N N 32 115.428 118.177 -2.749 1
1 310 . 19 1 1 A 32 32 GLN H H 32 8.230 8.367 -0.137 1
1 311 . 19 1 1 A 32 32 GLN CA C 32 59.190 58.858 0.332 1
1 312 . 19 1 1 A 32 32 GLN HA H 32 3.706 3.778 -0.072 1
1 313 . 19 1 1 A 32 32 GLN CB C 32 28.135 28.260 -0.125 1
1 320 . 19 1 1 A 32 32 GLN C C 32 177.623 178.824 -1.201 1
1 323 . 19 1 1 A 33 33 ARG N N 33 118.204 120.753 -2.549 1
1 324 . 19 1 1 A 33 33 ARG H H 33 7.197 7.693 -0.496 1
1 325 . 19 1 1 A 33 33 ARG CA C 33 58.506 59.093 -0.587 1
1 326 . 19 1 1 A 33 33 ARG HA H 33 4.134 3.931 0.203 1
1 327 . 19 1 1 A 33 33 ARG CB C 33 29.842 29.858 -0.016 1
1 333 . 19 1 1 A 33 33 ARG C C 33 178.649 178.501 0.148 1
1 337 . 19 1 1 A 34 34 VAL N N 34 116.486 117.099 -0.613 1
1 338 . 19 1 1 A 34 34 VAL H H 34 7.902 7.421 0.481 1
1 339 . 19 1 1 A 34 34 VAL CA C 34 64.123 65.326 -1.203 1
1 340 . 19 1 1 A 34 34 VAL HA H 34 3.905 3.679 0.226 1
1 341 . 19 1 1 A 34 34 VAL CB C 34 31.069 31.148 -0.079 1
1 351 . 19 1 1 A 34 34 VAL C C 34 177.281 176.843 0.438 1
1 352 . 19 1 1 A 35 35 HIS N N 35 117.033 119.489 -2.456 1
1 353 . 19 1 1 A 35 35 HIS H H 35 7.126 7.897 -0.771 1
1 354 . 19 1 1 A 35 35 HIS CA C 35 54.996 55.396 -0.400 1
1 355 . 19 1 1 A 35 35 HIS HA H 35 4.875 4.673 0.202 1
1 356 . 19 1 1 A 35 35 HIS CB C 35 28.704 29.375 -0.671 1
1 362 . 19 1 1 A 35 35 HIS C C 35 175.499 174.900 0.599 1
1 364 . 19 1 1 A 36 36 SER N N 36 114.731 114.954 -0.223 1
1 365 . 19 1 1 A 36 36 SER H H 36 7.792 7.682 0.110 1
1 366 . 19 1 1 A 36 36 SER CA C 36 59.098 58.714 0.384 1
1 367 . 19 1 1 A 36 36 SER HA H 36 4.463 4.249 0.214 1
1 368 . 19 1 1 A 36 36 SER CB C 36 64.002 63.767 0.235 1
1 370 . 19 1 1 A 36 36 SER C C 36 175.139 174.151 0.988 1
1 372 . 19 1 1 A 37 37 GLY N N 37 110.777 108.367 2.410 1
1 373 . 19 1 1 A 37 37 GLY H H 37 8.316 8.321 -0.005 1
1 374 . 19 1 1 A 37 37 GLY CA C 37 45.362 45.670 -0.308 1
1 375 . 19 1 1 A 37 37 GLY HA3 H 37 4.002 4.153 -0.151 1
1 376 . 19 1 1 A 37 37 GLY C C 37 174.036 173.595 0.441 1
1 377 . 19 1 1 A 37 37 GLY HA2 H 37 4.002 4.148 -0.146 1
1 378 . 19 1 1 A 38 38 GLU N N 38 120.515 123.385 -2.870 1
1 379 . 19 1 1 A 38 38 GLU H H 38 8.100 8.562 -0.462 1
1 380 . 19 1 1 A 38 38 GLU CA C 38 56.424 56.082 0.342 1
1 381 . 19 1 1 A 38 38 GLU HA H 38 4.269 4.399 -0.130 1
1 382 . 19 1 1 A 38 38 GLU CB C 38 30.494 28.643 1.851 1
1 386 . 19 1 1 A 38 38 GLU C C 38 176.249 176.342 -0.093 1
1 389 . 19 1 1 A 39 39 LYS N N 39 123.799 125.300 -1.501 1
1 390 . 19 1 1 A 39 39 LYS H H 39 8.409 8.238 0.171 1
1 391 . 19 1 1 A 39 39 LYS CA C 39 54.163 54.901 -0.738 1
1 392 . 19 1 1 A 39 39 LYS HA H 39 4.622 4.319 0.303 1
1 393 . 19 1 1 A 39 39 LYS CB C 39 32.492 31.771 0.721 1
1 405 . 19 1 1 A 40 40 PRO CA C 40 63.257 63.709 -0.452 1
1 406 . 19 1 1 A 40 40 PRO HA H 40 4.475 4.537 -0.062 1
1 407 . 19 1 1 A 40 40 PRO CB C 40 32.139 32.261 -0.122 1
1 416 . 19 1 1 A 45 45 SER CA C 45 58.385 57.090 1.295 1
1 417 . 19 1 1 A 45 45 SER HA H 45 4.458 4.724 -0.266 1
1 418 . 19 1 1 A 45 45 SER CB C 45 64.084 63.969 0.115 1
1 420 . 19 1 1 A 45 45 SER C C 45 173.896 174.418 -0.522 1
1 1 . 20 1 1 A 6 6 SER CA C 6 58.575 59.482 -0.907 1
1 2 . 20 1 1 A 6 6 SER HA H 6 4.453 4.516 -0.063 1
1 3 . 20 1 1 A 6 6 SER CB C 6 63.817 64.762 -0.945 1
1 5 . 20 1 1 A 6 6 SER C C 6 175.107 174.515 0.592 1
1 7 . 20 1 1 A 7 7 GLY N N 7 110.865 107.927 2.938 1
1 8 . 20 1 1 A 7 7 GLY H H 7 8.455 8.137 0.318 1
1 9 . 20 1 1 A 7 7 GLY CA C 7 45.447 47.004 -1.557 1
1 10 . 20 1 1 A 7 7 GLY HA3 H 7 4.006 3.881 0.125 1
1 11 . 20 1 1 A 7 7 GLY C C 7 174.454 174.496 -0.042 1
1 12 . 20 1 1 A 7 7 GLY HA2 H 7 4.006 3.879 0.127 1
1 13 . 20 1 1 A 8 8 THR N N 8 112.847 117.980 -5.133 1
1 14 . 20 1 1 A 8 8 THR H H 8 8.139 8.257 -0.118 1
1 15 . 20 1 1 A 8 8 THR CA C 8 61.905 63.055 -1.150 1
1 16 . 20 1 1 A 8 8 THR HA H 8 4.353 4.323 0.030 1
1 17 . 20 1 1 A 8 8 THR CB C 8 69.843 70.269 -0.426 1
1 23 . 20 1 1 A 8 8 THR C C 8 175.228 174.608 0.620 1
1 24 . 20 1 1 A 9 9 GLY N N 9 110.821 109.192 1.629 1
1 25 . 20 1 1 A 9 9 GLY H H 9 8.421 7.881 0.540 1
1 26 . 20 1 1 A 9 9 GLY CA C 9 45.254 44.711 0.543 1
1 27 . 20 1 1 A 9 9 GLY HA3 H 9 3.949 4.057 -0.108 1
1 28 . 20 1 1 A 9 9 GLY C C 9 174.011 172.801 1.210 1
1 29 . 20 1 1 A 9 9 GLY HA2 H 9 3.892 4.051 -0.159 1
1 30 . 20 1 1 A 10 10 GLU N N 10 120.237 120.414 -0.177 1
1 31 . 20 1 1 A 10 10 GLU H H 10 8.182 8.365 -0.183 1
1 32 . 20 1 1 A 10 10 GLU CA C 10 56.937 54.789 2.148 1
1 33 . 20 1 1 A 10 10 GLU HA H 10 4.144 5.029 -0.885 1
1 34 . 20 1 1 A 10 10 GLU CB C 10 30.378 33.727 -3.349 1
1 38 . 20 1 1 A 10 10 GLU C C 10 176.184 175.521 0.663 1
1 41 . 20 1 1 A 11 11 LYS N N 11 121.342 123.768 -2.426 1
1 42 . 20 1 1 A 11 11 LYS H H 11 8.229 8.419 -0.190 1
1 43 . 20 1 1 A 11 11 LYS CA C 11 53.834 53.011 0.823 1
1 44 . 20 1 1 A 11 11 LYS HA H 11 4.484 4.801 -0.317 1
1 45 . 20 1 1 A 11 11 LYS CB C 11 32.967 34.135 -1.168 1
1 57 . 20 1 1 A 12 12 PRO CA C 12 63.387 64.721 -1.334 1
1 58 . 20 1 1 A 12 12 PRO HA H 12 4.316 4.277 0.039 1
1 59 . 20 1 1 A 12 12 PRO CB C 12 32.242 31.853 0.389 1
1 65 . 20 1 1 A 12 12 PRO C C 12 176.139 175.832 0.307 1
1 69 . 20 1 1 A 13 13 TYR N N 13 118.364 118.465 -0.101 1
1 70 . 20 1 1 A 13 13 TYR H H 13 7.941 7.380 0.561 1
1 71 . 20 1 1 A 13 13 TYR CA C 13 57.734 57.288 0.446 1
1 72 . 20 1 1 A 13 13 TYR HA H 13 4.583 5.060 -0.477 1
1 73 . 20 1 1 A 13 13 TYR CB C 13 38.810 40.867 -2.057 1
1 83 . 20 1 1 A 13 13 TYR C C 13 174.591 175.241 -0.650 1
1 85 . 20 1 1 A 14 14 ASN N N 14 121.715 118.216 3.499 1
1 86 . 20 1 1 A 14 14 ASN H H 14 8.714 9.248 -0.534 1
1 87 . 20 1 1 A 14 14 ASN CA C 14 52.503 51.498 1.005 1
1 88 . 20 1 1 A 14 14 ASN HA H 14 5.345 5.873 -0.528 1
1 89 . 20 1 1 A 14 14 ASN CB C 14 41.570 41.724 -0.154 1
1 94 . 20 1 1 A 14 14 ASN C C 14 173.463 173.558 -0.095 1
1 96 . 20 1 1 A 15 15 CYS N N 15 124.857 124.202 0.655 1
1 97 . 20 1 1 A 15 15 CYS H H 15 9.202 8.950 0.252 1
1 98 . 20 1 1 A 15 15 CYS CA C 15 59.089 60.048 -0.959 1
1 99 . 20 1 1 A 15 15 CYS HA H 15 4.627 4.600 0.027 1
1 100 . 20 1 1 A 15 15 CYS CB C 15 29.702 28.386 1.316 1
1 102 . 20 1 1 A 15 15 CYS C C 15 177.005 175.575 1.430 1
1 104 . 20 1 1 A 16 16 LYS N N 16 131.671 128.471 3.200 1
1 105 . 20 1 1 A 16 16 LYS H H 16 9.303 9.024 0.279 1
1 106 . 20 1 1 A 16 16 LYS CA C 16 58.569 58.408 0.161 1
1 107 . 20 1 1 A 16 16 LYS HA H 16 4.162 4.305 -0.143 1
1 108 . 20 1 1 A 16 16 LYS CB C 16 32.192 32.475 -0.283 1
1 116 . 20 1 1 A 16 16 LYS C C 16 177.048 178.746 -1.698 1
1 121 . 20 1 1 A 17 17 GLU N N 17 119.887 118.800 1.087 1
1 122 . 20 1 1 A 17 17 GLU H H 17 8.581 8.280 0.301 1
1 123 . 20 1 1 A 17 17 GLU CA C 17 58.433 59.055 -0.622 1
1 124 . 20 1 1 A 17 17 GLU HA H 17 4.186 3.919 0.267 1
1 125 . 20 1 1 A 17 17 GLU CB C 17 29.328 28.585 0.743 1
1 129 . 20 1 1 A 17 17 GLU C C 17 177.219 178.078 -0.859 1
1 132 . 20 1 1 A 18 18 CYS N N 18 114.441 114.773 -0.332 1
1 133 . 20 1 1 A 18 18 CYS H H 18 7.918 7.814 0.104 1
1 134 . 20 1 1 A 18 18 CYS CA C 18 58.398 59.597 -1.199 1
1 135 . 20 1 1 A 18 18 CYS HA H 18 5.178 4.587 0.591 1
1 136 . 20 1 1 A 18 18 CYS CB C 18 32.515 29.638 2.877 1
1 138 . 20 1 1 A 18 18 CYS C C 18 176.163 175.407 0.756 1
1 140 . 20 1 1 A 19 19 GLY N N 19 113.399 110.214 3.185 1
1 141 . 20 1 1 A 19 19 GLY H H 19 8.276 8.186 0.090 1
1 142 . 20 1 1 A 19 19 GLY CA C 19 46.239 45.883 0.356 1
1 143 . 20 1 1 A 19 19 GLY HA3 H 19 4.238 4.056 0.182 1
1 144 . 20 1 1 A 19 19 GLY C C 19 174.108 174.110 -0.002 1
1 145 . 20 1 1 A 19 19 GLY HA2 H 19 3.895 4.041 -0.146 1
1 146 . 20 1 1 A 20 20 LYS N N 20 122.801 119.286 3.515 1
1 147 . 20 1 1 A 20 20 LYS H H 20 7.927 7.870 0.057 1
1 148 . 20 1 1 A 20 20 LYS CA C 20 58.073 54.499 3.574 1
1 149 . 20 1 1 A 20 20 LYS HA H 20 4.028 4.660 -0.632 1
1 150 . 20 1 1 A 20 20 LYS CB C 20 33.995 34.588 -0.593 1
1 158 . 20 1 1 A 20 20 LYS C C 20 174.252 174.883 -0.631 1
1 163 . 20 1 1 A 21 21 SER N N 21 115.354 111.958 3.396 1
1 164 . 20 1 1 A 21 21 SER H H 21 7.753 8.565 -0.812 1
1 165 . 20 1 1 A 21 21 SER CA C 21 56.907 55.722 1.185 1
1 166 . 20 1 1 A 21 21 SER HA H 21 5.264 5.478 -0.214 1
1 167 . 20 1 1 A 21 21 SER CB C 21 65.905 66.395 -0.490 1
1 169 . 20 1 1 A 21 21 SER C C 21 173.109 173.227 -0.118 1
1 171 . 20 1 1 A 22 22 PHE N N 22 118.558 118.247 0.311 1
1 172 . 20 1 1 A 22 22 PHE H H 22 8.756 8.854 -0.098 1
1 173 . 20 1 1 A 22 22 PHE CA C 22 57.139 56.475 0.664 1
1 174 . 20 1 1 A 22 22 PHE HA H 22 4.743 4.874 -0.131 1
1 175 . 20 1 1 A 22 22 PHE CB C 22 43.854 43.032 0.822 1
1 187 . 20 1 1 A 22 22 PHE C C 22 174.812 175.644 -0.832 1
1 189 . 20 1 1 A 23 23 ARG N N 23 121.492 122.024 -0.532 1
1 190 . 20 1 1 A 23 23 ARG H H 23 9.062 8.798 0.264 1
1 191 . 20 1 1 A 23 23 ARG CA C 23 58.297 58.734 -0.437 1
1 192 . 20 1 1 A 23 23 ARG HA H 23 4.148 4.268 -0.120 1
1 193 . 20 1 1 A 23 23 ARG CB C 23 30.777 30.648 0.129 1
1 199 . 20 1 1 A 23 23 ARG C C 23 175.059 176.606 -1.547 1
1 203 . 20 1 1 A 24 24 TRP N N 24 135.582 118.836 16.746 1
1 204 . 20 1 1 A 24 24 TRP H H 24 7.265 7.955 -0.690 1
1 205 . 20 1 1 A 24 24 TRP CA C 24 55.009 57.394 -2.385 1
1 206 . 20 1 1 A 24 24 TRP HA H 24 5.251 4.931 0.320 1
1 207 . 20 1 1 A 24 24 TRP CB C 24 32.664 31.374 1.290 1
1 221 . 20 1 1 A 24 24 TRP C C 24 176.478 176.434 0.044 1
1 223 . 20 1 1 A 25 25 ALA N N 25 127.796 124.057 3.739 1
1 224 . 20 1 1 A 25 25 ALA H H 25 8.590 8.854 -0.264 1
1 225 . 20 1 1 A 25 25 ALA CA C 25 55.039 54.599 0.440 1
1 226 . 20 1 1 A 25 25 ALA HA H 25 3.100 2.974 0.126 1
1 227 . 20 1 1 A 25 25 ALA CB C 25 17.676 18.814 -1.138 1
1 231 . 20 1 1 A 26 26 SER CA C 26 61.568 61.417 0.151 1
1 232 . 20 1 1 A 26 26 SER HA H 26 3.889 4.084 -0.195 1
1 233 . 20 1 1 A 26 26 SER CB C 26 60.859 62.611 -1.752 1
1 235 . 20 1 1 A 26 26 SER C C 26 177.407 176.779 0.628 1
1 237 . 20 1 1 A 27 27 CYS N N 27 122.821 119.435 3.386 1
1 238 . 20 1 1 A 27 27 CYS H H 27 7.093 8.411 -1.318 1
1 239 . 20 1 1 A 27 27 CYS CA C 27 62.747 63.405 -0.658 1
1 240 . 20 1 1 A 27 27 CYS HA H 27 4.000 4.038 -0.038 1
1 241 . 20 1 1 A 27 27 CYS CB C 27 28.498 27.153 1.345 1
1 242 . 20 1 1 A 27 27 CYS C C 27 178.084 176.853 1.231 1
1 244 . 20 1 1 A 28 28 LEU N N 28 121.440 121.013 0.427 1
1 245 . 20 1 1 A 28 28 LEU H H 28 6.965 7.836 -0.871 1
1 246 . 20 1 1 A 28 28 LEU CA C 28 57.672 57.497 0.175 1
1 247 . 20 1 1 A 28 28 LEU HA H 28 3.210 2.761 0.449 1
1 248 . 20 1 1 A 28 28 LEU CB C 28 40.463 41.319 -0.856 1
1 260 . 20 1 1 A 28 28 LEU C C 28 177.411 177.982 -0.571 1
1 262 . 20 1 1 A 29 29 LEU N N 29 119.582 119.556 0.026 1
1 263 . 20 1 1 A 29 29 LEU H H 29 7.918 7.726 0.192 1
1 264 . 20 1 1 A 29 29 LEU CA C 29 58.172 58.722 -0.550 1
1 265 . 20 1 1 A 29 29 LEU HA H 29 4.085 3.901 0.184 1
1 266 . 20 1 1 A 29 29 LEU CB C 29 41.634 41.677 -0.043 1
1 278 . 20 1 1 A 29 29 LEU C C 29 179.868 178.374 1.494 1
1 280 . 20 1 1 A 30 30 LYS N N 30 117.949 118.920 -0.971 1
1 281 . 20 1 1 A 30 30 LYS H H 30 7.494 8.215 -0.721 1
1 282 . 20 1 1 A 30 30 LYS CA C 30 59.428 59.389 0.039 1
1 283 . 20 1 1 A 30 30 LYS HA H 30 3.947 3.863 0.084 1
1 284 . 20 1 1 A 30 30 LYS CB C 30 32.538 32.035 0.503 1
1 292 . 20 1 1 A 30 30 LYS C C 30 179.147 178.572 0.575 1
1 297 . 20 1 1 A 31 31 HIS N N 31 118.910 119.685 -0.775 1
1 298 . 20 1 1 A 31 31 HIS H H 31 7.688 7.819 -0.131 1
1 299 . 20 1 1 A 31 31 HIS CA C 31 58.850 60.180 -1.330 1
1 300 . 20 1 1 A 31 31 HIS HA H 31 4.237 4.213 0.024 1
1 301 . 20 1 1 A 31 31 HIS CB C 31 28.584 29.347 -0.763 1
1 307 . 20 1 1 A 31 31 HIS C C 31 176.001 177.028 -1.027 1
1 309 . 20 1 1 A 32 32 GLN N N 32 115.428 117.880 -2.452 1
1 310 . 20 1 1 A 32 32 GLN H H 32 8.230 8.121 0.109 1
1 311 . 20 1 1 A 32 32 GLN CA C 32 59.190 59.038 0.152 1
1 312 . 20 1 1 A 32 32 GLN HA H 32 3.706 3.719 -0.013 1
1 313 . 20 1 1 A 32 32 GLN CB C 32 28.135 28.260 -0.125 1
1 320 . 20 1 1 A 32 32 GLN C C 32 177.623 178.754 -1.131 1
1 323 . 20 1 1 A 33 33 ARG N N 33 118.204 120.485 -2.281 1
1 324 . 20 1 1 A 33 33 ARG H H 33 7.197 8.011 -0.814 1
1 325 . 20 1 1 A 33 33 ARG CA C 33 58.506 58.922 -0.416 1
1 326 . 20 1 1 A 33 33 ARG HA H 33 4.134 3.991 0.143 1
1 327 . 20 1 1 A 33 33 ARG CB C 33 29.842 29.950 -0.108 1
1 333 . 20 1 1 A 33 33 ARG C C 33 178.649 178.763 -0.114 1
1 337 . 20 1 1 A 34 34 VAL N N 34 116.486 116.600 -0.114 1
1 338 . 20 1 1 A 34 34 VAL H H 34 7.902 7.423 0.479 1
1 339 . 20 1 1 A 34 34 VAL CA C 34 64.123 65.210 -1.087 1
1 340 . 20 1 1 A 34 34 VAL HA H 34 3.905 3.646 0.259 1
1 341 . 20 1 1 A 34 34 VAL CB C 34 31.069 31.216 -0.147 1
1 351 . 20 1 1 A 34 34 VAL C C 34 177.281 177.592 -0.311 1
1 352 . 20 1 1 A 35 35 HIS N N 35 117.033 120.799 -3.766 1
1 353 . 20 1 1 A 35 35 HIS H H 35 7.126 7.370 -0.244 1
1 354 . 20 1 1 A 35 35 HIS CA C 35 54.996 58.859 -3.863 1
1 355 . 20 1 1 A 35 35 HIS HA H 35 4.875 4.388 0.487 1
1 356 . 20 1 1 A 35 35 HIS CB C 35 28.704 30.020 -1.316 1
1 362 . 20 1 1 A 35 35 HIS C C 35 175.499 178.000 -2.501 1
1 364 . 20 1 1 A 36 36 SER N N 36 114.731 115.009 -0.278 1
1 365 . 20 1 1 A 36 36 SER H H 36 7.792 8.290 -0.498 1
1 366 . 20 1 1 A 36 36 SER CA C 36 59.098 61.502 -2.404 1
1 367 . 20 1 1 A 36 36 SER HA H 36 4.463 4.241 0.222 1
1 368 . 20 1 1 A 36 36 SER CB C 36 64.002 62.716 1.286 1
1 370 . 20 1 1 A 36 36 SER C C 36 175.139 175.294 -0.155 1
1 372 . 20 1 1 A 37 37 GLY N N 37 110.777 109.014 1.763 1
1 373 . 20 1 1 A 37 37 GLY H H 37 8.316 7.312 1.004 1
1 374 . 20 1 1 A 37 37 GLY CA C 37 45.362 44.625 0.737 1
1 375 . 20 1 1 A 37 37 GLY HA3 H 37 4.002 4.008 -0.006 1
1 376 . 20 1 1 A 37 37 GLY C C 37 174.036 171.931 2.105 1
1 377 . 20 1 1 A 37 37 GLY HA2 H 37 4.002 4.001 0.001 1
1 378 . 20 1 1 A 38 38 GLU N N 38 120.515 123.517 -3.002 1
1 379 . 20 1 1 A 38 38 GLU H H 38 8.100 8.951 -0.851 1
1 380 . 20 1 1 A 38 38 GLU CA C 38 56.424 55.129 1.295 1
1 381 . 20 1 1 A 38 38 GLU HA H 38 4.269 5.038 -0.769 1
1 382 . 20 1 1 A 38 38 GLU CB C 38 30.494 32.321 -1.827 1
1 386 . 20 1 1 A 38 38 GLU C C 38 176.249 175.110 1.139 1
1 389 . 20 1 1 A 39 39 LYS N N 39 123.799 125.838 -2.039 1
1 390 . 20 1 1 A 39 39 LYS H H 39 8.409 8.913 -0.504 1
1 391 . 20 1 1 A 39 39 LYS CA C 39 54.163 53.084 1.079 1
1 392 . 20 1 1 A 39 39 LYS HA H 39 4.622 4.809 -0.187 1
1 393 . 20 1 1 A 39 39 LYS CB C 39 32.492 33.643 -1.151 1
1 405 . 20 1 1 A 40 40 PRO CA C 40 63.257 62.527 0.730 1
1 406 . 20 1 1 A 40 40 PRO HA H 40 4.475 4.717 -0.242 1
1 407 . 20 1 1 A 40 40 PRO CB C 40 32.139 29.689 2.450 1
1 416 . 20 1 1 A 45 45 SER CA C 45 58.385 59.279 -0.894 1
1 417 . 20 1 1 A 45 45 SER HA H 45 4.458 4.519 -0.061 1
1 418 . 20 1 1 A 45 45 SER CB C 45 64.084 65.285 -1.201 1
1 420 . 20 1 1 A 45 45 SER C C 45 173.896 174.367 -0.471 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 32 0.975 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.084 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.309 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.547 1
5 1 1 1 "RMS(OBS, PRED)" HA 40 0.299 1
6 1 1 1 "RMS(OBS, PRED)" N 31 4.059 1
7 1 2 1 "RMS(OBS, PRED)" C 32 0.944 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.180 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 0.918 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.457 1
11 1 2 1 "RMS(OBS, PRED)" HA 40 0.261 1
12 1 2 1 "RMS(OBS, PRED)" N 31 3.908 1
13 1 3 1 "RMS(OBS, PRED)" C 32 1.067 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.303 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.288 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.487 1
17 1 3 1 "RMS(OBS, PRED)" HA 40 0.374 1
18 1 3 1 "RMS(OBS, PRED)" N 31 4.268 1
19 1 4 1 "RMS(OBS, PRED)" C 32 0.888 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.162 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.067 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.527 1
23 1 4 1 "RMS(OBS, PRED)" HA 40 0.259 1
24 1 4 1 "RMS(OBS, PRED)" N 31 4.108 1
25 1 5 1 "RMS(OBS, PRED)" C 32 1.038 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.111 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.264 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.479 1
29 1 5 1 "RMS(OBS, PRED)" HA 40 0.296 1
30 1 5 1 "RMS(OBS, PRED)" N 31 4.127 1
31 1 6 1 "RMS(OBS, PRED)" C 32 0.902 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.193 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.263 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.507 1
35 1 6 1 "RMS(OBS, PRED)" HA 40 0.305 1
36 1 6 1 "RMS(OBS, PRED)" N 31 3.705 1
37 1 7 1 "RMS(OBS, PRED)" C 32 0.960 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.355 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.243 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.456 1
41 1 7 1 "RMS(OBS, PRED)" HA 40 0.313 1
42 1 7 1 "RMS(OBS, PRED)" N 31 3.800 1
43 1 8 1 "RMS(OBS, PRED)" C 32 1.183 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.280 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.286 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.463 1
47 1 8 1 "RMS(OBS, PRED)" HA 40 0.334 1
48 1 8 1 "RMS(OBS, PRED)" N 31 3.845 1
49 1 9 1 "RMS(OBS, PRED)" C 32 0.975 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.327 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.239 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.436 1
53 1 9 1 "RMS(OBS, PRED)" HA 40 0.309 1
54 1 9 1 "RMS(OBS, PRED)" N 31 3.435 1
55 1 10 1 "RMS(OBS, PRED)" C 32 1.038 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.310 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.398 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.462 1
59 1 10 1 "RMS(OBS, PRED)" HA 40 0.333 1
60 1 10 1 "RMS(OBS, PRED)" N 31 3.717 1
61 1 11 1 "RMS(OBS, PRED)" C 32 1.099 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.091 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.136 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.457 1
65 1 11 1 "RMS(OBS, PRED)" HA 40 0.265 1
66 1 11 1 "RMS(OBS, PRED)" N 31 3.899 1
67 1 12 1 "RMS(OBS, PRED)" C 32 1.223 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.326 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.452 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.481 1
71 1 12 1 "RMS(OBS, PRED)" HA 40 0.378 1
72 1 12 1 "RMS(OBS, PRED)" N 31 3.991 1
73 1 13 1 "RMS(OBS, PRED)" C 32 1.131 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.385 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.340 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.497 1
77 1 13 1 "RMS(OBS, PRED)" HA 40 0.311 1
78 1 13 1 "RMS(OBS, PRED)" N 31 3.990 1
79 1 14 1 "RMS(OBS, PRED)" C 32 0.971 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.238 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.256 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.505 1
83 1 14 1 "RMS(OBS, PRED)" HA 40 0.270 1
84 1 14 1 "RMS(OBS, PRED)" N 31 3.930 1
85 1 15 1 "RMS(OBS, PRED)" C 32 0.996 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.473 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.300 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.456 1
89 1 15 1 "RMS(OBS, PRED)" HA 40 0.288 1
90 1 15 1 "RMS(OBS, PRED)" N 31 3.871 1
91 1 16 1 "RMS(OBS, PRED)" C 32 0.955 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.102 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.406 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.462 1
95 1 16 1 "RMS(OBS, PRED)" HA 40 0.270 1
96 1 16 1 "RMS(OBS, PRED)" N 31 3.876 1
97 1 17 1 "RMS(OBS, PRED)" C 32 1.168 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.455 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.065 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.589 1
101 1 17 1 "RMS(OBS, PRED)" HA 40 0.332 1
102 1 17 1 "RMS(OBS, PRED)" N 31 3.976 1
103 1 18 1 "RMS(OBS, PRED)" C 32 1.014 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.104 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.108 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.515 1
107 1 18 1 "RMS(OBS, PRED)" HA 40 0.335 1
108 1 18 1 "RMS(OBS, PRED)" N 31 3.981 1
109 1 19 1 "RMS(OBS, PRED)" C 32 0.916 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.034 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.029 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.508 1
113 1 19 1 "RMS(OBS, PRED)" HA 40 0.283 1
114 1 19 1 "RMS(OBS, PRED)" N 31 4.092 1
115 1 20 1 "RMS(OBS, PRED)" C 32 1.022 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.374 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.331 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.544 1
119 1 20 1 "RMS(OBS, PRED)" HA 40 0.316 1
120 1 20 1 "RMS(OBS, PRED)" N 31 3.880 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 6 6 SER CA C 6 58.575 57.707 0.868 2
1 2 . 1 1 A 6 6 SER HA H 6 4.453 4.750 -0.297 2
1 3 . 1 1 A 6 6 SER CB C 6 63.817 64.403 -0.586 2
1 5 . 1 1 A 6 6 SER C C 6 175.107 174.166 0.941 2
1 7 . 1 1 A 7 7 GLY N N 7 110.865 111.151 -0.287 2
1 8 . 1 1 A 7 7 GLY H H 7 8.455 8.301 0.154 2
1 9 . 1 1 A 7 7 GLY CA C 7 45.447 46.011 -0.565 2
1 10 . 1 1 A 7 7 GLY HA3 H 7 4.006 4.026 -0.020 2
1 11 . 1 1 A 7 7 GLY C C 7 174.454 173.977 0.477 2
1 12 . 1 1 A 7 7 GLY HA2 H 7 4.006 4.024 -0.018 2
1 13 . 1 1 A 8 8 THR N N 8 112.847 115.070 -2.223 2
1 14 . 1 1 A 8 8 THR H H 8 8.139 8.197 -0.058 2
1 15 . 1 1 A 8 8 THR CA C 8 61.905 62.398 -0.493 2
1 16 . 1 1 A 8 8 THR HA H 8 4.353 4.474 -0.122 2
1 17 . 1 1 A 8 8 THR CB C 8 69.843 70.014 -0.171 2
1 23 . 1 1 A 8 8 THR C C 8 175.228 174.472 0.756 2
1 24 . 1 1 A 9 9 GLY N N 9 110.821 111.272 -0.451 2
1 25 . 1 1 A 9 9 GLY H H 9 8.421 8.218 0.203 2
1 26 . 1 1 A 9 9 GLY CA C 9 45.254 45.536 -0.282 2
1 27 . 1 1 A 9 9 GLY HA3 H 9 3.949 4.040 -0.091 2
1 28 . 1 1 A 9 9 GLY C C 9 174.011 173.109 0.902 2
1 29 . 1 1 A 9 9 GLY HA2 H 9 3.892 4.037 -0.145 2
1 30 . 1 1 A 10 10 GLU N N 10 120.237 121.587 -1.350 2
1 31 . 1 1 A 10 10 GLU H H 10 8.182 8.472 -0.290 2
1 32 . 1 1 A 10 10 GLU CA C 10 56.937 55.553 1.384 2
1 33 . 1 1 A 10 10 GLU HA H 10 4.144 4.714 -0.570 2
1 34 . 1 1 A 10 10 GLU CB C 10 30.378 31.482 -1.104 2
1 38 . 1 1 A 10 10 GLU C C 10 176.184 175.472 0.712 2
1 41 . 1 1 A 11 11 LYS N N 11 121.342 125.097 -3.755 2
1 42 . 1 1 A 11 11 LYS H H 11 8.229 8.492 -0.263 2
1 43 . 1 1 A 11 11 LYS CA C 11 53.834 53.617 0.217 2
1 44 . 1 1 A 11 11 LYS HA H 11 4.484 4.591 -0.107 2
1 45 . 1 1 A 11 11 LYS CB C 11 32.967 33.114 -0.147 2
1 57 . 1 1 A 12 12 PRO CA C 12 63.387 64.806 -1.419 2
1 58 . 1 1 A 12 12 PRO HA H 12 4.316 4.283 0.033 2
1 59 . 1 1 A 12 12 PRO CB C 12 32.242 31.718 0.524 2
1 65 . 1 1 A 12 12 PRO C C 12 176.139 175.833 0.306 2
1 69 . 1 1 A 13 13 TYR N N 13 118.364 118.342 0.022 2
1 70 . 1 1 A 13 13 TYR H H 13 7.941 7.410 0.531 2
1 71 . 1 1 A 13 13 TYR CA C 13 57.734 57.757 -0.023 2
1 72 . 1 1 A 13 13 TYR HA H 13 4.583 4.932 -0.349 2
1 73 . 1 1 A 13 13 TYR CB C 13 38.810 40.330 -1.520 2
1 83 . 1 1 A 13 13 TYR C C 13 174.591 175.481 -0.890 2
1 85 . 1 1 A 14 14 ASN N N 14 121.715 118.937 2.778 2
1 86 . 1 1 A 14 14 ASN H H 14 8.714 9.175 -0.461 2
1 87 . 1 1 A 14 14 ASN CA C 14 52.503 52.049 0.454 2
1 88 . 1 1 A 14 14 ASN HA H 14 5.345 5.760 -0.415 2
1 89 . 1 1 A 14 14 ASN CB C 14 41.570 41.689 -0.119 2
1 94 . 1 1 A 14 14 ASN C C 14 173.463 173.788 -0.325 2
1 96 . 1 1 A 15 15 CYS N N 15 124.857 124.347 0.510 2
1 97 . 1 1 A 15 15 CYS H H 15 9.202 9.031 0.171 2
1 98 . 1 1 A 15 15 CYS CA C 15 59.089 59.736 -0.647 2
1 99 . 1 1 A 15 15 CYS HA H 15 4.627 4.580 0.047 2
1 100 . 1 1 A 15 15 CYS CB C 15 29.702 28.571 1.131 2
1 102 . 1 1 A 15 15 CYS C C 15 177.005 175.321 1.684 2
1 104 . 1 1 A 16 16 LYS N N 16 131.671 127.263 4.408 2
1 105 . 1 1 A 16 16 LYS H H 16 9.303 8.825 0.478 2
1 106 . 1 1 A 16 16 LYS CA C 16 58.569 58.184 0.385 2
1 107 . 1 1 A 16 16 LYS HA H 16 4.162 4.245 -0.082 2
1 108 . 1 1 A 16 16 LYS CB C 16 32.192 32.540 -0.348 2
1 116 . 1 1 A 16 16 LYS C C 16 177.048 178.612 -1.564 2
1 121 . 1 1 A 17 17 GLU N N 17 119.887 119.300 0.587 2
1 122 . 1 1 A 17 17 GLU H H 17 8.581 8.249 0.332 2
1 123 . 1 1 A 17 17 GLU CA C 17 58.433 59.084 -0.651 2
1 124 . 1 1 A 17 17 GLU HA H 17 4.186 3.923 0.263 2
1 125 . 1 1 A 17 17 GLU CB C 17 29.328 28.623 0.705 2
1 129 . 1 1 A 17 17 GLU C C 17 177.219 178.338 -1.119 2
1 132 . 1 1 A 18 18 CYS N N 18 114.441 114.902 -0.461 2
1 133 . 1 1 A 18 18 CYS H H 18 7.918 7.792 0.126 2
1 134 . 1 1 A 18 18 CYS CA C 18 58.398 59.743 -1.345 2
1 135 . 1 1 A 18 18 CYS HA H 18 5.178 4.612 0.567 2
1 136 . 1 1 A 18 18 CYS CB C 18 32.515 29.581 2.934 2
1 138 . 1 1 A 18 18 CYS C C 18 176.163 175.369 0.794 2
1 140 . 1 1 A 19 19 GLY N N 19 113.399 110.260 3.139 2
1 141 . 1 1 A 19 19 GLY H H 19 8.276 8.134 0.142 2
1 142 . 1 1 A 19 19 GLY CA C 19 46.239 45.529 0.710 2
1 143 . 1 1 A 19 19 GLY HA3 H 19 4.238 4.068 0.170 2
1 144 . 1 1 A 19 19 GLY C C 19 174.108 174.255 -0.147 2
1 145 . 1 1 A 19 19 GLY HA2 H 19 3.895 4.056 -0.161 2
1 146 . 1 1 A 20 20 LYS N N 20 122.801 119.413 3.388 2
1 147 . 1 1 A 20 20 LYS H H 20 7.927 7.815 0.112 2
1 148 . 1 1 A 20 20 LYS CA C 20 58.073 54.873 3.200 2
1 149 . 1 1 A 20 20 LYS HA H 20 4.028 4.633 -0.605 2
1 150 . 1 1 A 20 20 LYS CB C 20 33.995 34.426 -0.431 2
1 158 . 1 1 A 20 20 LYS C C 20 174.252 175.354 -1.102 2
1 163 . 1 1 A 21 21 SER N N 21 115.354 114.424 0.930 2
1 164 . 1 1 A 21 21 SER H H 21 7.753 8.466 -0.713 2
1 165 . 1 1 A 21 21 SER CA C 21 56.907 56.485 0.422 2
1 166 . 1 1 A 21 21 SER HA H 21 5.264 5.508 -0.244 2
1 167 . 1 1 A 21 21 SER CB C 21 65.905 66.317 -0.412 2
1 169 . 1 1 A 21 21 SER C C 21 173.109 172.772 0.337 2
1 171 . 1 1 A 22 22 PHE N N 22 118.558 119.786 -1.228 2
1 172 . 1 1 A 22 22 PHE H H 22 8.756 8.762 -0.006 2
1 173 . 1 1 A 22 22 PHE CA C 22 57.139 56.520 0.619 2
1 174 . 1 1 A 22 22 PHE HA H 22 4.743 4.917 -0.174 2
1 175 . 1 1 A 22 22 PHE CB C 22 43.854 43.277 0.577 2
1 187 . 1 1 A 22 22 PHE C C 22 174.812 175.545 -0.733 2
1 189 . 1 1 A 23 23 ARG N N 23 121.492 122.470 -0.978 2
1 190 . 1 1 A 23 23 ARG H H 23 9.062 8.920 0.142 2
1 191 . 1 1 A 23 23 ARG CA C 23 58.297 57.985 0.312 2
1 192 . 1 1 A 23 23 ARG HA H 23 4.148 4.321 -0.173 2
1 193 . 1 1 A 23 23 ARG CB C 23 30.777 30.758 0.019 2
1 199 . 1 1 A 23 23 ARG C C 23 175.059 176.048 -0.989 2
1 203 . 1 1 A 24 24 TRP N N 24 135.582 118.624 16.958 2
1 204 . 1 1 A 24 24 TRP H H 24 7.265 7.960 -0.695 2
1 205 . 1 1 A 24 24 TRP CA C 24 55.009 56.912 -1.903 2
1 206 . 1 1 A 24 24 TRP HA H 24 5.251 4.991 0.260 2
1 207 . 1 1 A 24 24 TRP CB C 24 32.664 31.803 0.861 2
1 221 . 1 1 A 24 24 TRP C C 24 176.478 176.156 0.322 2
1 223 . 1 1 A 25 25 ALA N N 25 127.796 125.053 2.743 2
1 224 . 1 1 A 25 25 ALA H H 25 8.590 8.843 -0.253 2
1 225 . 1 1 A 25 25 ALA CA C 25 55.039 54.894 0.145 2
1 226 . 1 1 A 25 25 ALA HA H 25 3.100 3.207 -0.107 2
1 227 . 1 1 A 25 25 ALA CB C 25 17.676 18.423 -0.747 2
1 231 . 1 1 A 26 26 SER CA C 26 61.568 61.679 -0.111 2
1 232 . 1 1 A 26 26 SER HA H 26 3.889 4.089 -0.200 2
1 233 . 1 1 A 26 26 SER CB C 26 60.859 62.584 -1.725 2
1 235 . 1 1 A 26 26 SER C C 26 177.407 176.591 0.816 2
1 237 . 1 1 A 27 27 CYS N N 27 122.821 119.894 2.927 2
1 238 . 1 1 A 27 27 CYS H H 27 7.093 8.261 -1.168 2
1 239 . 1 1 A 27 27 CYS CA C 27 62.747 63.130 -0.383 2
1 240 . 1 1 A 27 27 CYS HA H 27 4.000 4.051 -0.051 2
1 241 . 1 1 A 27 27 CYS CB C 27 28.498 27.246 1.252 2
1 242 . 1 1 A 27 27 CYS C C 27 178.084 176.860 1.224 2
1 244 . 1 1 A 28 28 LEU N N 28 121.440 121.350 0.090 2
1 245 . 1 1 A 28 28 LEU H H 28 6.965 7.707 -0.742 2
1 246 . 1 1 A 28 28 LEU CA C 28 57.672 57.192 0.480 2
1 247 . 1 1 A 28 28 LEU HA H 28 3.210 2.523 0.687 2
1 248 . 1 1 A 28 28 LEU CB C 28 40.463 41.273 -0.810 2
1 260 . 1 1 A 28 28 LEU C C 28 177.411 177.942 -0.531 2
1 262 . 1 1 A 29 29 LEU N N 29 119.582 119.456 0.126 2
1 263 . 1 1 A 29 29 LEU H H 29 7.918 7.916 0.002 2
1 264 . 1 1 A 29 29 LEU CA C 29 58.172 58.328 -0.156 2
1 265 . 1 1 A 29 29 LEU HA H 29 4.085 3.867 0.218 2
1 266 . 1 1 A 29 29 LEU CB C 29 41.634 41.617 0.017 2
1 278 . 1 1 A 29 29 LEU C C 29 179.868 178.474 1.394 2
1 280 . 1 1 A 30 30 LYS N N 30 117.949 118.502 -0.553 2
1 281 . 1 1 A 30 30 LYS H H 30 7.494 8.139 -0.645 2
1 282 . 1 1 A 30 30 LYS CA C 30 59.428 58.955 0.473 2
1 283 . 1 1 A 30 30 LYS HA H 30 3.947 3.937 0.010 2
1 284 . 1 1 A 30 30 LYS CB C 30 32.538 32.182 0.356 2
1 292 . 1 1 A 30 30 LYS C C 30 179.147 178.697 0.450 2
1 297 . 1 1 A 31 31 HIS N N 31 118.910 119.950 -1.040 2
1 298 . 1 1 A 31 31 HIS H H 31 7.688 7.827 -0.139 2
1 299 . 1 1 A 31 31 HIS CA C 31 58.850 59.790 -0.940 2
1 300 . 1 1 A 31 31 HIS HA H 31 4.237 4.208 0.029 2
1 301 . 1 1 A 31 31 HIS CB C 31 28.584 29.705 -1.121 2
1 307 . 1 1 A 31 31 HIS C C 31 176.001 177.281 -1.280 2
1 309 . 1 1 A 32 32 GLN N N 32 115.428 117.686 -2.258 2
1 310 . 1 1 A 32 32 GLN H H 32 8.230 8.136 0.094 2
1 311 . 1 1 A 32 32 GLN CA C 32 59.190 58.944 0.246 2
1 312 . 1 1 A 32 32 GLN HA H 32 3.706 3.765 -0.059 2
1 313 . 1 1 A 32 32 GLN CB C 32 28.135 28.255 -0.120 2
1 320 . 1 1 A 32 32 GLN C C 32 177.623 178.611 -0.988 2
1 323 . 1 1 A 33 33 ARG N N 33 118.204 120.353 -2.149 2
1 324 . 1 1 A 33 33 ARG H H 33 7.197 7.821 -0.624 2
1 325 . 1 1 A 33 33 ARG CA C 33 58.506 59.023 -0.517 2
1 326 . 1 1 A 33 33 ARG HA H 33 4.134 3.970 0.164 2
1 327 . 1 1 A 33 33 ARG CB C 33 29.842 29.825 0.017 2
1 333 . 1 1 A 33 33 ARG C C 33 178.649 178.599 0.050 2
1 337 . 1 1 A 34 34 VAL N N 34 116.486 116.908 -0.422 2
1 338 . 1 1 A 34 34 VAL H H 34 7.902 7.748 0.154 2
1 339 . 1 1 A 34 34 VAL CA C 34 64.123 65.269 -1.146 2
1 340 . 1 1 A 34 34 VAL HA H 34 3.905 3.714 0.191 2
1 341 . 1 1 A 34 34 VAL CB C 34 31.069 31.116 -0.047 2
1 351 . 1 1 A 34 34 VAL C C 34 177.281 177.106 0.175 2
1 352 . 1 1 A 35 35 HIS N N 35 117.033 120.140 -3.107 2
1 353 . 1 1 A 35 35 HIS H H 35 7.126 7.611 -0.485 2
1 354 . 1 1 A 35 35 HIS CA C 35 54.996 57.126 -2.130 2
1 355 . 1 1 A 35 35 HIS HA H 35 4.875 4.511 0.364 2
1 356 . 1 1 A 35 35 HIS CB C 35 28.704 29.956 -1.252 2
1 362 . 1 1 A 35 35 HIS C C 35 175.499 175.746 -0.247 2
1 364 . 1 1 A 36 36 SER N N 36 114.731 114.208 0.523 2
1 365 . 1 1 A 36 36 SER H H 36 7.792 7.952 -0.160 2
1 366 . 1 1 A 36 36 SER CA C 36 59.098 58.896 0.202 2
1 367 . 1 1 A 36 36 SER HA H 36 4.463 4.409 0.054 2
1 368 . 1 1 A 36 36 SER CB C 36 64.002 63.602 0.400 2
1 370 . 1 1 A 36 36 SER C C 36 175.139 174.586 0.553 2
1 372 . 1 1 A 37 37 GLY N N 37 110.777 110.298 0.479 2
1 373 . 1 1 A 37 37 GLY H H 37 8.316 8.066 0.250 2
1 374 . 1 1 A 37 37 GLY CA C 37 45.362 45.697 -0.335 2
1 375 . 1 1 A 37 37 GLY HA3 H 37 4.002 4.011 -0.009 2
1 376 . 1 1 A 37 37 GLY C C 37 174.036 173.567 0.469 2
1 377 . 1 1 A 37 37 GLY HA2 H 37 4.002 4.007 -0.005 2
1 378 . 1 1 A 38 38 GLU N N 38 120.515 120.556 -0.041 2
1 379 . 1 1 A 38 38 GLU H H 38 8.100 8.320 -0.220 2
1 380 . 1 1 A 38 38 GLU CA C 38 56.424 56.023 0.401 2
1 381 . 1 1 A 38 38 GLU HA H 38 4.269 4.611 -0.342 2
1 382 . 1 1 A 38 38 GLU CB C 38 30.494 30.986 -0.492 2
1 386 . 1 1 A 38 38 GLU C C 38 176.249 175.467 0.782 2
1 389 . 1 1 A 39 39 LYS N N 39 123.799 123.489 0.310 2
1 390 . 1 1 A 39 39 LYS H H 39 8.409 8.418 -0.009 2
1 391 . 1 1 A 39 39 LYS CA C 39 54.163 53.570 0.593 2
1 392 . 1 1 A 39 39 LYS HA H 39 4.622 4.749 -0.127 2
1 393 . 1 1 A 39 39 LYS CB C 39 32.492 34.355 -1.863 2
1 405 . 1 1 A 40 40 PRO CA C 40 63.257 63.380 -0.123 2
1 406 . 1 1 A 40 40 PRO HA H 40 4.475 4.569 -0.094 2
1 407 . 1 1 A 40 40 PRO CB C 40 32.139 31.858 0.281 2
1 416 . 1 1 A 45 45 SER CA C 45 58.385 58.052 0.333 2
1 417 . 1 1 A 45 45 SER HA H 45 4.458 4.626 -0.168 2
1 418 . 1 1 A 45 45 SER CB C 45 64.084 64.014 0.070 2
1 420 . 1 1 A 45 45 SER C C 45 173.896 174.491 -0.595 2
stop_
save_