data_10204_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10204
_Entry.PDB_ID 2EMJ
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY CA C 7 45.446 45.648 -0.202 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 4.044 4.290 -0.246 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.517 173.009 1.508 1
1 4 . 1 1 1 A 8 8 THR N N 8 112.820 113.228 -0.408 1
1 5 . 1 1 1 A 8 8 THR H H 8 8.156 8.299 -0.143 1
1 6 . 1 1 1 A 8 8 THR CA C 8 61.841 60.513 1.328 1
1 7 . 1 1 1 A 8 8 THR HA H 8 4.387 4.632 -0.245 1
1 8 . 1 1 1 A 8 8 THR CB C 8 69.860 68.733 1.127 1
1 14 . 1 1 1 A 8 8 THR C C 8 175.270 174.156 1.114 1
1 15 . 1 1 1 A 9 9 GLY N N 9 110.629 109.494 1.135 1
1 16 . 1 1 1 A 9 9 GLY H H 9 8.224 7.953 0.271 1
1 17 . 1 1 1 A 9 9 GLY CA C 9 45.301 46.943 -1.642 1
1 18 . 1 1 1 A 9 9 GLY HA2 H 9 3.936 3.909 0.027 1
1 19 . 1 1 1 A 9 9 GLY HA3 H 9 3.974 3.914 0.060 1
1 20 . 1 1 1 A 10 10 GLU N N 10 120.185 120.119 0.066 1
1 21 . 1 1 1 A 10 10 GLU H H 10 8.244 8.450 -0.206 1
1 22 . 1 1 1 A 10 10 GLU CA C 10 56.913 56.038 0.875 1
1 23 . 1 1 1 A 10 10 GLU HA H 10 4.206 4.560 -0.354 1
1 24 . 1 1 1 A 10 10 GLU CB C 10 30.432 31.601 -1.169 1
1 30 . 1 1 1 A 11 11 LYS N N 11 121.853 120.015 1.838 1
1 31 . 1 1 1 A 11 11 LYS H H 11 8.314 8.350 -0.036 1
1 32 . 1 1 1 A 11 11 LYS CA C 11 53.894 53.108 0.786 1
1 33 . 1 1 1 A 11 11 LYS HA H 11 4.547 4.742 -0.195 1
1 34 . 1 1 1 A 11 11 LYS CB C 11 32.861 35.651 -2.790 1
1 45 . 1 1 1 A 11 11 LYS C C 11 174.542 176.104 -1.562 1
1 46 . 1 1 1 A 12 12 PRO CA C 12 63.480 64.678 -1.198 1
1 47 . 1 1 1 A 12 12 PRO HA H 12 4.305 4.290 0.015 1
1 48 . 1 1 1 A 12 12 PRO CB C 12 32.288 31.883 0.405 1
1 57 . 1 1 1 A 12 12 PRO C C 12 176.266 176.123 0.143 1
1 58 . 1 1 1 A 13 13 PHE N N 13 118.209 117.397 0.812 1
1 59 . 1 1 1 A 13 13 PHE H H 13 8.027 7.996 0.031 1
1 60 . 1 1 1 A 13 13 PHE CA C 13 57.480 56.696 0.784 1
1 61 . 1 1 1 A 13 13 PHE HA H 13 4.646 4.837 -0.191 1
1 62 . 1 1 1 A 13 13 PHE CB C 13 39.143 37.863 1.280 1
1 75 . 1 1 1 A 13 13 PHE C C 13 174.299 174.518 -0.219 1
1 76 . 1 1 1 A 14 14 GLU N N 14 124.594 125.451 -0.857 1
1 77 . 1 1 1 A 14 14 GLU H H 14 8.557 9.007 -0.450 1
1 78 . 1 1 1 A 14 14 GLU CA C 14 55.040 55.069 -0.029 1
1 79 . 1 1 1 A 14 14 GLU HA H 14 4.808 5.068 -0.260 1
1 80 . 1 1 1 A 14 14 GLU CB C 14 32.995 32.350 0.645 1
1 86 . 1 1 1 A 14 14 GLU C C 14 175.064 174.769 0.295 1
1 87 . 1 1 1 A 15 15 CYS N N 15 127.042 124.704 2.338 1
1 88 . 1 1 1 A 15 15 CYS H H 15 9.223 9.193 0.030 1
1 89 . 1 1 1 A 15 15 CYS CA C 15 59.448 57.391 2.057 1
1 90 . 1 1 1 A 15 15 CYS HA H 15 4.559 5.059 -0.500 1
1 91 . 1 1 1 A 15 15 CYS CB C 15 29.596 30.094 -0.498 1
1 94 . 1 1 1 A 15 15 CYS C C 15 176.934 175.368 1.566 1
1 95 . 1 1 1 A 16 16 ALA N N 16 121.197 129.729 -8.532 1
1 96 . 1 1 1 A 16 16 ALA H H 16 9.386 8.749 0.637 1
1 97 . 1 1 1 A 16 16 ALA CA C 16 54.526 51.603 2.923 1
1 98 . 1 1 1 A 16 16 ALA HA H 16 4.243 4.631 -0.388 1
1 99 . 1 1 1 A 16 16 ALA CB C 16 18.918 19.190 -0.272 1
1 103 . 1 1 1 A 16 16 ALA C C 16 178.161 177.062 1.099 1
1 104 . 1 1 1 A 17 17 GLU N N 17 118.104 117.588 0.516 1
1 105 . 1 1 1 A 17 17 GLU H H 17 8.565 7.487 1.078 1
1 106 . 1 1 1 A 17 17 GLU CA C 17 58.342 56.911 1.431 1
1 107 . 1 1 1 A 17 17 GLU HA H 17 4.183 4.401 -0.218 1
1 108 . 1 1 1 A 17 17 GLU CB C 17 29.540 31.285 -1.745 1
1 114 . 1 1 1 A 17 17 GLU C C 17 177.383 177.918 -0.535 1
1 115 . 1 1 1 A 18 18 CYS N N 18 114.477 114.540 -0.063 1
1 116 . 1 1 1 A 18 18 CYS H H 18 7.922 7.568 0.354 1
1 117 . 1 1 1 A 18 18 CYS CA C 18 58.458 59.544 -1.086 1
1 118 . 1 1 1 A 18 18 CYS HA H 18 5.191 4.750 0.441 1
1 119 . 1 1 1 A 18 18 CYS CB C 18 32.615 30.362 2.253 1
1 122 . 1 1 1 A 18 18 CYS C C 18 176.327 175.487 0.840 1
1 123 . 1 1 1 A 19 19 GLY N N 19 113.483 109.837 3.646 1
1 124 . 1 1 1 A 19 19 GLY H H 19 8.278 7.995 0.283 1
1 125 . 1 1 1 A 19 19 GLY CA C 19 46.201 45.201 1.000 1
1 126 . 1 1 1 A 19 19 GLY HA2 H 19 4.245 4.061 0.184 1
1 127 . 1 1 1 A 19 19 GLY HA3 H 19 3.885 4.064 -0.179 1
1 128 . 1 1 1 A 19 19 GLY C C 19 173.983 173.996 -0.013 1
1 129 . 1 1 1 A 20 20 LYS N N 20 122.831 119.398 3.433 1
1 130 . 1 1 1 A 20 20 LYS H H 20 7.964 7.859 0.105 1
1 131 . 1 1 1 A 20 20 LYS CA C 20 57.920 54.516 3.404 1
1 132 . 1 1 1 A 20 20 LYS HA H 20 4.054 4.645 -0.591 1
1 133 . 1 1 1 A 20 20 LYS CB C 20 33.613 34.512 -0.899 1
1 145 . 1 1 1 A 20 20 LYS C C 20 174.311 174.880 -0.569 1
1 146 . 1 1 1 A 21 21 SER N N 21 115.065 112.236 2.829 1
1 147 . 1 1 1 A 21 21 SER H H 21 7.780 7.935 -0.155 1
1 148 . 1 1 1 A 21 21 SER CA C 21 56.653 57.070 -0.417 1
1 149 . 1 1 1 A 21 21 SER HA H 21 5.311 5.097 0.214 1
1 150 . 1 1 1 A 21 21 SER CB C 21 66.094 66.146 -0.052 1
1 153 . 1 1 1 A 21 21 SER C C 21 173.133 172.128 1.005 1
1 154 . 1 1 1 A 22 22 PHE N N 22 117.950 118.067 -0.117 1
1 155 . 1 1 1 A 22 22 PHE H H 22 8.696 8.592 0.104 1
1 156 . 1 1 1 A 22 22 PHE CA C 22 57.415 56.694 0.721 1
1 157 . 1 1 1 A 22 22 PHE HA H 22 4.824 5.003 -0.179 1
1 158 . 1 1 1 A 22 22 PHE CB C 22 43.800 44.063 -0.263 1
1 171 . 1 1 1 A 22 22 PHE C C 22 175.440 175.539 -0.099 1
1 172 . 1 1 1 A 23 23 SER N N 23 116.091 115.577 0.514 1
1 173 . 1 1 1 A 23 23 SER H H 23 9.091 8.958 0.133 1
1 174 . 1 1 1 A 23 23 SER CA C 23 61.106 60.780 0.326 1
1 175 . 1 1 1 A 23 23 SER HA H 23 4.681 4.655 0.026 1
1 176 . 1 1 1 A 23 23 SER CB C 23 64.301 64.110 0.191 1
1 179 . 1 1 1 A 23 23 SER C C 23 173.898 174.677 -0.779 1
1 180 . 1 1 1 A 24 24 ILE N N 24 114.094 118.038 -3.944 1
1 181 . 1 1 1 A 24 24 ILE H H 24 7.324 7.521 -0.197 1
1 182 . 1 1 1 A 24 24 ILE CA C 24 59.668 58.579 1.089 1
1 183 . 1 1 1 A 24 24 ILE HA H 24 4.710 4.519 0.191 1
1 184 . 1 1 1 A 24 24 ILE CB C 24 41.565 40.639 0.926 1
1 197 . 1 1 1 A 24 24 ILE C C 24 176.812 176.053 0.759 1
1 198 . 1 1 1 A 25 25 SER N N 25 122.408 117.446 4.962 1
1 199 . 1 1 1 A 25 25 SER H H 25 8.516 8.573 -0.057 1
1 200 . 1 1 1 A 25 25 SER CA C 25 61.632 60.918 0.714 1
1 201 . 1 1 1 A 25 25 SER HA H 25 2.913 3.143 -0.230 1
1 202 . 1 1 1 A 25 25 SER CB C 25 61.900 62.699 -0.799 1
1 205 . 1 1 1 A 25 25 SER C C 25 175.441 176.449 -1.008 1
1 206 . 1 1 1 A 26 26 SER CA C 26 60.783 61.864 -1.081 1
1 207 . 1 1 1 A 26 26 SER HA H 26 4.116 4.038 0.078 1
1 208 . 1 1 1 A 26 26 SER CB C 26 61.616 62.853 -1.237 1
1 211 . 1 1 1 A 26 26 SER C C 26 177.043 176.688 0.355 1
1 212 . 1 1 1 A 27 27 GLN N N 27 120.773 121.048 -0.275 1
1 213 . 1 1 1 A 27 27 GLN H H 27 6.969 7.899 -0.930 1
1 214 . 1 1 1 A 27 27 GLN CA C 27 57.897 58.675 -0.778 1
1 215 . 1 1 1 A 27 27 GLN HA H 27 4.039 3.803 0.236 1
1 216 . 1 1 1 A 27 27 GLN CB C 27 28.426 27.985 0.441 1
1 225 . 1 1 1 A 27 27 GLN C C 27 178.938 177.932 1.006 1
1 226 . 1 1 1 A 28 28 LEU N N 28 120.821 121.314 -0.493 1
1 227 . 1 1 1 A 28 28 LEU H H 28 6.728 7.638 -0.910 1
1 228 . 1 1 1 A 28 28 LEU CA C 28 57.617 57.273 0.344 1
1 229 . 1 1 1 A 28 28 LEU HA H 28 3.384 3.162 0.222 1
1 230 . 1 1 1 A 28 28 LEU CB C 28 40.143 41.322 -1.179 1
1 243 . 1 1 1 A 28 28 LEU C C 28 177.298 178.306 -1.008 1
1 244 . 1 1 1 A 29 29 ALA N N 29 121.094 121.062 0.032 1
1 245 . 1 1 1 A 29 29 ALA H H 29 7.783 8.306 -0.523 1
1 246 . 1 1 1 A 29 29 ALA CA C 29 55.263 55.203 0.060 1
1 247 . 1 1 1 A 29 29 ALA HA H 29 4.170 4.053 0.117 1
1 248 . 1 1 1 A 29 29 ALA CB C 29 17.736 18.576 -0.840 1
1 252 . 1 1 1 A 29 29 ALA C C 29 180.735 180.052 0.683 1
1 253 . 1 1 1 A 30 30 THR N N 30 113.821 113.277 0.544 1
1 254 . 1 1 1 A 30 30 THR H H 30 7.746 7.936 -0.190 1
1 255 . 1 1 1 A 30 30 THR CA C 30 66.306 65.158 1.148 1
1 256 . 1 1 1 A 30 30 THR HA H 30 3.817 3.951 -0.134 1
1 257 . 1 1 1 A 30 30 THR CB C 30 68.819 68.427 0.392 1
1 263 . 1 1 1 A 30 30 THR C C 30 176.566 176.522 0.044 1
1 264 . 1 1 1 A 31 31 HIS N N 31 121.819 120.629 1.190 1
1 265 . 1 1 1 A 31 31 HIS H H 31 7.543 7.548 -0.005 1
1 266 . 1 1 1 A 31 31 HIS CA C 31 59.405 59.082 0.323 1
1 267 . 1 1 1 A 31 31 HIS HA H 31 4.166 4.184 -0.018 1
1 268 . 1 1 1 A 31 31 HIS CB C 31 28.632 30.271 -1.639 1
1 275 . 1 1 1 A 31 31 HIS C C 31 176.084 177.074 -0.990 1
1 276 . 1 1 1 A 32 32 GLN N N 32 115.014 117.818 -2.804 1
1 277 . 1 1 1 A 32 32 GLN H H 32 8.439 8.588 -0.149 1
1 278 . 1 1 1 A 32 32 GLN CA C 32 59.346 59.352 -0.006 1
1 279 . 1 1 1 A 32 32 GLN HA H 32 3.717 4.013 -0.296 1
1 280 . 1 1 1 A 32 32 GLN CB C 32 28.356 28.337 0.019 1
1 289 . 1 1 1 A 32 32 GLN C C 32 177.457 178.593 -1.136 1
1 290 . 1 1 1 A 33 33 ARG N N 33 117.225 120.227 -3.002 1
1 291 . 1 1 1 A 33 33 ARG H H 33 7.124 7.829 -0.705 1
1 292 . 1 1 1 A 33 33 ARG CA C 33 58.406 58.966 -0.560 1
1 293 . 1 1 1 A 33 33 ARG HA H 33 4.151 4.124 0.027 1
1 294 . 1 1 1 A 33 33 ARG CB C 33 29.973 29.953 0.020 1
1 303 . 1 1 1 A 33 33 ARG C C 33 178.610 178.874 -0.264 1
1 304 . 1 1 1 A 34 34 ILE N N 34 116.430 116.988 -0.558 1
1 305 . 1 1 1 A 34 34 ILE H H 34 7.824 7.733 0.091 1
1 306 . 1 1 1 A 34 34 ILE CA C 34 63.156 63.211 -0.055 1
1 307 . 1 1 1 A 34 34 ILE HA H 34 3.975 3.791 0.184 1
1 308 . 1 1 1 A 34 34 ILE CB C 34 37.697 37.357 0.340 1
1 321 . 1 1 1 A 34 34 ILE C C 34 177.432 176.848 0.584 1
1 322 . 1 1 1 A 35 35 HIS N N 35 117.622 119.205 -1.583 1
1 323 . 1 1 1 A 35 35 HIS H H 35 7.205 7.973 -0.768 1
1 324 . 1 1 1 A 35 35 HIS CA C 35 55.332 57.214 -1.882 1
1 325 . 1 1 1 A 35 35 HIS HA H 35 4.866 4.574 0.292 1
1 326 . 1 1 1 A 35 35 HIS CB C 35 28.598 31.657 -3.059 1
1 333 . 1 1 1 A 35 35 HIS C C 35 175.877 175.210 0.667 1
1 334 . 1 1 1 A 36 36 THR N N 36 111.682 110.703 0.979 1
1 335 . 1 1 1 A 36 36 THR H H 36 7.791 7.964 -0.173 1
1 336 . 1 1 1 A 36 36 THR CA C 36 62.540 62.231 0.309 1
1 337 . 1 1 1 A 36 36 THR HA H 36 4.366 4.209 0.157 1
1 338 . 1 1 1 A 36 36 THR CB C 36 69.869 68.974 0.895 1
1 344 . 1 1 1 A 36 36 THR C C 36 175.490 174.742 0.748 1
1 345 . 1 1 1 A 37 37 GLY N N 37 111.018 111.572 -0.554 1
1 346 . 1 1 1 A 37 37 GLY H H 37 8.462 8.437 0.025 1
1 347 . 1 1 1 A 37 37 GLY CA C 37 45.323 45.468 -0.145 1
1 348 . 1 1 1 A 37 37 GLY HA2 H 37 3.967 3.998 -0.031 1
1 349 . 1 1 1 A 37 37 GLY HA3 H 37 4.042 3.998 0.044 1
1 350 . 1 1 1 A 37 37 GLY C C 37 174.068 174.931 -0.863 1
1 351 . 1 1 1 A 38 38 GLU N N 38 120.568 120.835 -0.267 1
1 352 . 1 1 1 A 38 38 GLU H H 38 8.092 7.953 0.139 1
1 353 . 1 1 1 A 38 38 GLU CA C 38 56.475 56.359 0.116 1
1 354 . 1 1 1 A 38 38 GLU HA H 38 4.262 4.382 -0.120 1
1 355 . 1 1 1 A 38 38 GLU CB C 38 30.555 31.449 -0.894 1
1 361 . 1 1 1 A 38 38 GLU C C 38 176.242 175.106 1.136 1
1 362 . 1 1 1 A 39 39 LYS N N 39 123.829 120.050 3.779 1
1 363 . 1 1 1 A 39 39 LYS H H 39 8.398 8.293 0.105 1
1 364 . 1 1 1 A 39 39 LYS CA C 39 54.142 53.767 0.375 1
1 365 . 1 1 1 A 39 39 LYS HA H 39 4.624 5.038 -0.414 1
1 366 . 1 1 1 A 39 39 LYS CB C 39 32.528 33.096 -0.568 1
1 378 . 1 1 1 A 40 40 PRO CA C 40 63.167 64.929 -1.762 1
1 379 . 1 1 1 A 40 40 PRO HA H 40 4.470 4.389 0.081 1
1 380 . 1 1 1 A 40 40 PRO CB C 40 32.193 32.091 0.102 1
1 389 . 1 1 1 A 40 40 PRO C C 40 177.019 176.529 0.490 1
1 390 . 1 1 1 A 41 41 SER N N 41 116.494 113.521 2.973 1
1 391 . 1 1 1 A 41 41 SER H H 41 8.475 7.778 0.697 1
1 392 . 1 1 1 A 41 41 SER CA C 41 58.355 57.380 0.975 1
1 393 . 1 1 1 A 41 41 SER HA H 41 4.472 4.947 -0.475 1
1 394 . 1 1 1 A 41 41 SER CB C 41 64.047 66.810 -2.763 1
1 396 . 1 1 1 A 41 41 SER C C 41 174.761 175.193 -0.432 1
1 397 . 1 1 1 A 42 42 GLY CA C 42 44.674 47.348 -2.674 1
1 398 . 1 1 1 A 42 42 GLY HA2 H 42 4.117 3.907 0.210 1
1 399 . 1 1 1 A 42 42 GLY HA3 H 42 4.175 3.907 0.268 1
1 400 . 1 1 1 A 43 43 PRO CA C 43 63.252 62.470 0.782 1
1 401 . 1 1 1 A 43 43 PRO HA H 43 4.485 4.595 -0.110 1
1 402 . 1 1 1 A 43 43 PRO CB C 43 32.259 32.471 -0.212 1
1 411 . 1 1 1 A 45 45 SER CA C 45 58.354 61.938 -3.584 1
1 412 . 1 1 1 A 45 45 SER HA H 45 4.511 4.136 0.375 1
1 413 . 1 1 1 A 45 45 SER CB C 45 64.043 63.254 0.789 1
1 416 . 1 1 1 A 45 45 SER C C 45 173.934 174.368 -0.434 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.446 45.415 0.031 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 4.044 4.129 -0.085 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.517 173.992 0.525 1
1 4 . 2 1 1 A 8 8 THR N N 8 112.820 117.542 -4.722 1
1 5 . 2 1 1 A 8 8 THR H H 8 8.156 8.527 -0.371 1
1 6 . 2 1 1 A 8 8 THR CA C 8 61.841 63.830 -1.989 1
1 7 . 2 1 1 A 8 8 THR HA H 8 4.387 4.296 0.091 1
1 8 . 2 1 1 A 8 8 THR CB C 8 69.860 69.553 0.307 1
1 14 . 2 1 1 A 8 8 THR C C 8 175.270 174.835 0.435 1
1 15 . 2 1 1 A 9 9 GLY N N 9 110.629 110.058 0.571 1
1 16 . 2 1 1 A 9 9 GLY H H 9 8.224 7.765 0.459 1
1 17 . 2 1 1 A 9 9 GLY CA C 9 45.301 44.414 0.887 1
1 18 . 2 1 1 A 9 9 GLY HA2 H 9 3.936 4.059 -0.123 1
1 19 . 2 1 1 A 9 9 GLY HA3 H 9 3.974 4.059 -0.085 1
1 20 . 2 1 1 A 10 10 GLU N N 10 120.185 120.311 -0.126 1
1 21 . 2 1 1 A 10 10 GLU H H 10 8.244 8.520 -0.276 1
1 22 . 2 1 1 A 10 10 GLU CA C 10 56.913 55.510 1.403 1
1 23 . 2 1 1 A 10 10 GLU HA H 10 4.206 4.983 -0.777 1
1 24 . 2 1 1 A 10 10 GLU CB C 10 30.432 33.272 -2.840 1
1 30 . 2 1 1 A 11 11 LYS N N 11 121.853 125.214 -3.361 1
1 31 . 2 1 1 A 11 11 LYS H H 11 8.314 8.554 -0.240 1
1 32 . 2 1 1 A 11 11 LYS CA C 11 53.894 54.257 -0.363 1
1 33 . 2 1 1 A 11 11 LYS HA H 11 4.547 4.836 -0.289 1
1 34 . 2 1 1 A 11 11 LYS CB C 11 32.861 33.217 -0.356 1
1 45 . 2 1 1 A 11 11 LYS C C 11 174.542 176.327 -1.785 1
1 46 . 2 1 1 A 12 12 PRO CA C 12 63.480 64.427 -0.947 1
1 47 . 2 1 1 A 12 12 PRO HA H 12 4.305 4.253 0.052 1
1 48 . 2 1 1 A 12 12 PRO CB C 12 32.288 31.800 0.488 1
1 57 . 2 1 1 A 12 12 PRO C C 12 176.266 176.147 0.119 1
1 58 . 2 1 1 A 13 13 PHE N N 13 118.209 117.433 0.776 1
1 59 . 2 1 1 A 13 13 PHE H H 13 8.027 7.662 0.365 1
1 60 . 2 1 1 A 13 13 PHE CA C 13 57.480 56.425 1.055 1
1 61 . 2 1 1 A 13 13 PHE HA H 13 4.646 5.231 -0.585 1
1 62 . 2 1 1 A 13 13 PHE CB C 13 39.143 40.804 -1.661 1
1 75 . 2 1 1 A 13 13 PHE C C 13 174.299 174.141 0.158 1
1 76 . 2 1 1 A 14 14 GLU N N 14 124.594 124.838 -0.244 1
1 77 . 2 1 1 A 14 14 GLU H H 14 8.557 9.028 -0.471 1
1 78 . 2 1 1 A 14 14 GLU CA C 14 55.040 54.917 0.123 1
1 79 . 2 1 1 A 14 14 GLU HA H 14 4.808 5.156 -0.348 1
1 80 . 2 1 1 A 14 14 GLU CB C 14 32.995 33.467 -0.472 1
1 86 . 2 1 1 A 14 14 GLU C C 14 175.064 175.430 -0.366 1
1 87 . 2 1 1 A 15 15 CYS N N 15 127.042 126.261 0.781 1
1 88 . 2 1 1 A 15 15 CYS H H 15 9.223 9.447 -0.224 1
1 89 . 2 1 1 A 15 15 CYS CA C 15 59.448 59.254 0.194 1
1 90 . 2 1 1 A 15 15 CYS HA H 15 4.559 4.568 -0.009 1
1 91 . 2 1 1 A 15 15 CYS CB C 15 29.596 28.348 1.248 1
1 94 . 2 1 1 A 15 15 CYS C C 15 176.934 176.222 0.712 1
1 95 . 2 1 1 A 16 16 ALA N N 16 121.197 129.543 -8.346 1
1 96 . 2 1 1 A 16 16 ALA H H 16 9.386 8.742 0.644 1
1 97 . 2 1 1 A 16 16 ALA CA C 16 54.526 51.601 2.925 1
1 98 . 2 1 1 A 16 16 ALA HA H 16 4.243 4.634 -0.391 1
1 99 . 2 1 1 A 16 16 ALA CB C 16 18.918 19.720 -0.802 1
1 103 . 2 1 1 A 16 16 ALA C C 16 178.161 178.139 0.022 1
1 104 . 2 1 1 A 17 17 GLU N N 17 118.104 118.225 -0.121 1
1 105 . 2 1 1 A 17 17 GLU H H 17 8.565 7.761 0.804 1
1 106 . 2 1 1 A 17 17 GLU CA C 17 58.342 58.682 -0.340 1
1 107 . 2 1 1 A 17 17 GLU HA H 17 4.183 4.262 -0.079 1
1 108 . 2 1 1 A 17 17 GLU CB C 17 29.540 30.349 -0.809 1
1 114 . 2 1 1 A 17 17 GLU C C 17 177.383 178.160 -0.777 1
1 115 . 2 1 1 A 18 18 CYS N N 18 114.477 114.831 -0.354 1
1 116 . 2 1 1 A 18 18 CYS H H 18 7.922 8.028 -0.106 1
1 117 . 2 1 1 A 18 18 CYS CA C 18 58.458 59.249 -0.791 1
1 118 . 2 1 1 A 18 18 CYS HA H 18 5.191 4.834 0.357 1
1 119 . 2 1 1 A 18 18 CYS CB C 18 32.615 30.532 2.083 1
1 122 . 2 1 1 A 18 18 CYS C C 18 176.327 175.662 0.665 1
1 123 . 2 1 1 A 19 19 GLY N N 19 113.483 110.175 3.308 1
1 124 . 2 1 1 A 19 19 GLY H H 19 8.278 8.534 -0.256 1
1 125 . 2 1 1 A 19 19 GLY CA C 19 46.201 46.331 -0.130 1
1 126 . 2 1 1 A 19 19 GLY HA2 H 19 4.245 4.027 0.218 1
1 127 . 2 1 1 A 19 19 GLY HA3 H 19 3.885 4.032 -0.147 1
1 128 . 2 1 1 A 19 19 GLY C C 19 173.983 173.766 0.217 1
1 129 . 2 1 1 A 20 20 LYS N N 20 122.831 120.209 2.622 1
1 130 . 2 1 1 A 20 20 LYS H H 20 7.964 7.680 0.284 1
1 131 . 2 1 1 A 20 20 LYS CA C 20 57.920 54.509 3.411 1
1 132 . 2 1 1 A 20 20 LYS HA H 20 4.054 4.841 -0.787 1
1 133 . 2 1 1 A 20 20 LYS CB C 20 33.613 36.399 -2.786 1
1 145 . 2 1 1 A 20 20 LYS C C 20 174.311 174.409 -0.098 1
1 146 . 2 1 1 A 21 21 SER N N 21 115.065 115.058 0.007 1
1 147 . 2 1 1 A 21 21 SER H H 21 7.780 8.615 -0.835 1
1 148 . 2 1 1 A 21 21 SER CA C 21 56.653 55.874 0.779 1
1 149 . 2 1 1 A 21 21 SER HA H 21 5.311 5.551 -0.240 1
1 150 . 2 1 1 A 21 21 SER CB C 21 66.094 66.810 -0.716 1
1 153 . 2 1 1 A 21 21 SER C C 21 173.133 172.696 0.437 1
1 154 . 2 1 1 A 22 22 PHE N N 22 117.950 117.929 0.021 1
1 155 . 2 1 1 A 22 22 PHE H H 22 8.696 8.284 0.412 1
1 156 . 2 1 1 A 22 22 PHE CA C 22 57.415 56.518 0.897 1
1 157 . 2 1 1 A 22 22 PHE HA H 22 4.824 5.012 -0.188 1
1 158 . 2 1 1 A 22 22 PHE CB C 22 43.800 43.980 -0.180 1
1 171 . 2 1 1 A 22 22 PHE C C 22 175.440 175.413 0.027 1
1 172 . 2 1 1 A 23 23 SER N N 23 116.091 116.545 -0.454 1
1 173 . 2 1 1 A 23 23 SER H H 23 9.091 9.130 -0.039 1
1 174 . 2 1 1 A 23 23 SER CA C 23 61.106 58.957 2.149 1
1 175 . 2 1 1 A 23 23 SER HA H 23 4.681 4.701 -0.020 1
1 176 . 2 1 1 A 23 23 SER CB C 23 64.301 64.749 -0.448 1
1 179 . 2 1 1 A 23 23 SER C C 23 173.898 174.225 -0.327 1
1 180 . 2 1 1 A 24 24 ILE N N 24 114.094 116.433 -2.339 1
1 181 . 2 1 1 A 24 24 ILE H H 24 7.324 7.286 0.038 1
1 182 . 2 1 1 A 24 24 ILE CA C 24 59.668 58.400 1.268 1
1 183 . 2 1 1 A 24 24 ILE HA H 24 4.710 4.409 0.301 1
1 184 . 2 1 1 A 24 24 ILE CB C 24 41.565 41.555 0.010 1
1 197 . 2 1 1 A 24 24 ILE C C 24 176.812 175.321 1.491 1
1 198 . 2 1 1 A 25 25 SER N N 25 122.408 119.338 3.070 1
1 199 . 2 1 1 A 25 25 SER H H 25 8.516 8.615 -0.099 1
1 200 . 2 1 1 A 25 25 SER CA C 25 61.632 60.999 0.633 1
1 201 . 2 1 1 A 25 25 SER HA H 25 2.913 3.505 -0.592 1
1 202 . 2 1 1 A 25 25 SER CB C 25 61.900 62.373 -0.473 1
1 205 . 2 1 1 A 25 25 SER C C 25 175.441 176.303 -0.862 1
1 206 . 2 1 1 A 26 26 SER CA C 26 60.783 61.326 -0.543 1
1 207 . 2 1 1 A 26 26 SER HA H 26 4.116 3.949 0.167 1
1 208 . 2 1 1 A 26 26 SER CB C 26 61.616 62.870 -1.254 1
1 211 . 2 1 1 A 26 26 SER C C 26 177.043 176.894 0.149 1
1 212 . 2 1 1 A 27 27 GLN N N 27 120.773 121.416 -0.643 1
1 213 . 2 1 1 A 27 27 GLN H H 27 6.969 7.461 -0.492 1
1 214 . 2 1 1 A 27 27 GLN CA C 27 57.897 58.447 -0.550 1
1 215 . 2 1 1 A 27 27 GLN HA H 27 4.039 4.007 0.032 1
1 216 . 2 1 1 A 27 27 GLN CB C 27 28.426 28.298 0.128 1
1 225 . 2 1 1 A 27 27 GLN C C 27 178.938 177.939 0.999 1
1 226 . 2 1 1 A 28 28 LEU N N 28 120.821 121.518 -0.697 1
1 227 . 2 1 1 A 28 28 LEU H H 28 6.728 7.356 -0.628 1
1 228 . 2 1 1 A 28 28 LEU CA C 28 57.617 57.262 0.355 1
1 229 . 2 1 1 A 28 28 LEU HA H 28 3.384 2.656 0.728 1
1 230 . 2 1 1 A 28 28 LEU CB C 28 40.143 40.877 -0.734 1
1 243 . 2 1 1 A 28 28 LEU C C 28 177.298 178.207 -0.909 1
1 244 . 2 1 1 A 29 29 ALA N N 29 121.094 120.976 0.118 1
1 245 . 2 1 1 A 29 29 ALA H H 29 7.783 8.293 -0.510 1
1 246 . 2 1 1 A 29 29 ALA CA C 29 55.263 55.189 0.074 1
1 247 . 2 1 1 A 29 29 ALA HA H 29 4.170 4.024 0.146 1
1 248 . 2 1 1 A 29 29 ALA CB C 29 17.736 18.574 -0.838 1
1 252 . 2 1 1 A 29 29 ALA C C 29 180.735 180.053 0.682 1
1 253 . 2 1 1 A 30 30 THR N N 30 113.821 113.324 0.497 1
1 254 . 2 1 1 A 30 30 THR H H 30 7.746 7.738 0.008 1
1 255 . 2 1 1 A 30 30 THR CA C 30 66.306 65.179 1.127 1
1 256 . 2 1 1 A 30 30 THR HA H 30 3.817 4.006 -0.189 1
1 257 . 2 1 1 A 30 30 THR CB C 30 68.819 68.479 0.340 1
1 263 . 2 1 1 A 30 30 THR C C 30 176.566 176.309 0.257 1
1 264 . 2 1 1 A 31 31 HIS N N 31 121.819 120.946 0.873 1
1 265 . 2 1 1 A 31 31 HIS H H 31 7.543 7.354 0.189 1
1 266 . 2 1 1 A 31 31 HIS CA C 31 59.405 58.948 0.457 1
1 267 . 2 1 1 A 31 31 HIS HA H 31 4.166 4.269 -0.103 1
1 268 . 2 1 1 A 31 31 HIS CB C 31 28.632 30.117 -1.485 1
1 275 . 2 1 1 A 31 31 HIS C C 31 176.084 177.212 -1.128 1
1 276 . 2 1 1 A 32 32 GLN N N 32 115.014 118.683 -3.669 1
1 277 . 2 1 1 A 32 32 GLN H H 32 8.439 8.225 0.214 1
1 278 . 2 1 1 A 32 32 GLN CA C 32 59.346 59.235 0.111 1
1 279 . 2 1 1 A 32 32 GLN HA H 32 3.717 3.942 -0.225 1
1 280 . 2 1 1 A 32 32 GLN CB C 32 28.356 28.372 -0.016 1
1 289 . 2 1 1 A 32 32 GLN C C 32 177.457 178.834 -1.377 1
1 290 . 2 1 1 A 33 33 ARG N N 33 117.225 120.124 -2.899 1
1 291 . 2 1 1 A 33 33 ARG H H 33 7.124 7.473 -0.349 1
1 292 . 2 1 1 A 33 33 ARG CA C 33 58.406 59.240 -0.834 1
1 293 . 2 1 1 A 33 33 ARG HA H 33 4.151 4.087 0.064 1
1 294 . 2 1 1 A 33 33 ARG CB C 33 29.973 30.192 -0.219 1
1 303 . 2 1 1 A 33 33 ARG C C 33 178.610 179.106 -0.496 1
1 304 . 2 1 1 A 34 34 ILE N N 34 116.430 117.810 -1.380 1
1 305 . 2 1 1 A 34 34 ILE H H 34 7.824 7.563 0.261 1
1 306 . 2 1 1 A 34 34 ILE CA C 34 63.156 63.782 -0.626 1
1 307 . 2 1 1 A 34 34 ILE HA H 34 3.975 3.771 0.204 1
1 308 . 2 1 1 A 34 34 ILE CB C 34 37.697 37.367 0.330 1
1 321 . 2 1 1 A 34 34 ILE C C 34 177.432 177.460 -0.028 1
1 322 . 2 1 1 A 35 35 HIS N N 35 117.622 119.522 -1.900 1
1 323 . 2 1 1 A 35 35 HIS H H 35 7.205 7.472 -0.267 1
1 324 . 2 1 1 A 35 35 HIS CA C 35 55.332 59.588 -4.256 1
1 325 . 2 1 1 A 35 35 HIS HA H 35 4.866 4.303 0.563 1
1 326 . 2 1 1 A 35 35 HIS CB C 35 28.598 30.744 -2.146 1
1 333 . 2 1 1 A 35 35 HIS C C 35 175.877 175.615 0.262 1
1 334 . 2 1 1 A 36 36 THR N N 36 111.682 114.517 -2.835 1
1 335 . 2 1 1 A 36 36 THR H H 36 7.791 7.970 -0.179 1
1 336 . 2 1 1 A 36 36 THR CA C 36 62.540 63.787 -1.247 1
1 337 . 2 1 1 A 36 36 THR HA H 36 4.366 3.899 0.467 1
1 338 . 2 1 1 A 36 36 THR CB C 36 69.869 68.824 1.045 1
1 344 . 2 1 1 A 36 36 THR C C 36 175.490 174.866 0.624 1
1 345 . 2 1 1 A 37 37 GLY N N 37 111.018 115.698 -4.680 1
1 346 . 2 1 1 A 37 37 GLY H H 37 8.462 8.779 -0.317 1
1 347 . 2 1 1 A 37 37 GLY CA C 37 45.323 45.074 0.249 1
1 348 . 2 1 1 A 37 37 GLY HA2 H 37 3.967 3.968 -0.001 1
1 349 . 2 1 1 A 37 37 GLY HA3 H 37 4.042 3.972 0.070 1
1 350 . 2 1 1 A 37 37 GLY C C 37 174.068 172.406 1.662 1
1 351 . 2 1 1 A 38 38 GLU N N 38 120.568 120.414 0.154 1
1 352 . 2 1 1 A 38 38 GLU H H 38 8.092 8.403 -0.311 1
1 353 . 2 1 1 A 38 38 GLU CA C 38 56.475 55.196 1.279 1
1 354 . 2 1 1 A 38 38 GLU HA H 38 4.262 5.001 -0.739 1
1 355 . 2 1 1 A 38 38 GLU CB C 38 30.555 34.069 -3.514 1
1 361 . 2 1 1 A 38 38 GLU C C 38 176.242 174.873 1.369 1
1 362 . 2 1 1 A 39 39 LYS N N 39 123.829 124.898 -1.069 1
1 363 . 2 1 1 A 39 39 LYS H H 39 8.398 8.622 -0.224 1
1 364 . 2 1 1 A 39 39 LYS CA C 39 54.142 54.336 -0.194 1
1 365 . 2 1 1 A 39 39 LYS HA H 39 4.624 4.495 0.129 1
1 366 . 2 1 1 A 39 39 LYS CB C 39 32.528 31.748 0.780 1
1 378 . 2 1 1 A 40 40 PRO CA C 40 63.167 64.330 -1.163 1
1 379 . 2 1 1 A 40 40 PRO HA H 40 4.470 4.453 0.017 1
1 380 . 2 1 1 A 40 40 PRO CB C 40 32.193 32.011 0.182 1
1 389 . 2 1 1 A 40 40 PRO C C 40 177.019 177.662 -0.643 1
1 390 . 2 1 1 A 41 41 SER N N 41 116.494 114.064 2.430 1
1 391 . 2 1 1 A 41 41 SER H H 41 8.475 8.601 -0.126 1
1 392 . 2 1 1 A 41 41 SER CA C 41 58.355 62.058 -3.703 1
1 393 . 2 1 1 A 41 41 SER HA H 41 4.472 4.132 0.340 1
1 394 . 2 1 1 A 41 41 SER CB C 41 64.047 62.832 1.215 1
1 396 . 2 1 1 A 41 41 SER C C 41 174.761 174.682 0.079 1
1 397 . 2 1 1 A 42 42 GLY CA C 42 44.674 44.648 0.026 1
1 398 . 2 1 1 A 42 42 GLY HA2 H 42 4.117 4.162 -0.045 1
1 399 . 2 1 1 A 42 42 GLY HA3 H 42 4.175 4.163 0.012 1
1 400 . 2 1 1 A 43 43 PRO CA C 43 63.252 62.819 0.433 1
1 401 . 2 1 1 A 43 43 PRO HA H 43 4.485 4.820 -0.335 1
1 402 . 2 1 1 A 43 43 PRO CB C 43 32.259 33.276 -1.017 1
1 411 . 2 1 1 A 45 45 SER CA C 45 58.354 61.099 -2.745 1
1 412 . 2 1 1 A 45 45 SER HA H 45 4.511 4.250 0.261 1
1 413 . 2 1 1 A 45 45 SER CB C 45 64.043 63.449 0.594 1
1 416 . 2 1 1 A 45 45 SER C C 45 173.934 174.393 -0.459 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.446 46.902 -1.456 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 4.044 3.877 0.167 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.517 174.496 0.021 1
1 4 . 3 1 1 A 8 8 THR N N 8 112.820 114.530 -1.710 1
1 5 . 3 1 1 A 8 8 THR H H 8 8.156 7.759 0.397 1
1 6 . 3 1 1 A 8 8 THR CA C 8 61.841 60.940 0.901 1
1 7 . 3 1 1 A 8 8 THR HA H 8 4.387 4.543 -0.156 1
1 8 . 3 1 1 A 8 8 THR CB C 8 69.860 69.805 0.055 1
1 14 . 3 1 1 A 8 8 THR C C 8 175.270 173.953 1.317 1
1 15 . 3 1 1 A 9 9 GLY N N 9 110.629 114.230 -3.601 1
1 16 . 3 1 1 A 9 9 GLY H H 9 8.224 8.334 -0.110 1
1 17 . 3 1 1 A 9 9 GLY CA C 9 45.301 45.389 -0.088 1
1 18 . 3 1 1 A 9 9 GLY HA2 H 9 3.936 4.115 -0.179 1
1 19 . 3 1 1 A 9 9 GLY HA3 H 9 3.974 4.116 -0.142 1
1 20 . 3 1 1 A 10 10 GLU N N 10 120.185 120.795 -0.610 1
1 21 . 3 1 1 A 10 10 GLU H H 10 8.244 8.267 -0.023 1
1 22 . 3 1 1 A 10 10 GLU CA C 10 56.913 58.115 -1.202 1
1 23 . 3 1 1 A 10 10 GLU HA H 10 4.206 4.182 0.024 1
1 24 . 3 1 1 A 10 10 GLU CB C 10 30.432 30.464 -0.032 1
1 30 . 3 1 1 A 11 11 LYS N N 11 121.853 119.696 2.157 1
1 31 . 3 1 1 A 11 11 LYS H H 11 8.314 7.529 0.785 1
1 32 . 3 1 1 A 11 11 LYS CA C 11 53.894 53.597 0.297 1
1 33 . 3 1 1 A 11 11 LYS HA H 11 4.547 4.523 0.024 1
1 34 . 3 1 1 A 11 11 LYS CB C 11 32.861 32.514 0.347 1
1 45 . 3 1 1 A 11 11 LYS C C 11 174.542 176.241 -1.699 1
1 46 . 3 1 1 A 12 12 PRO CA C 12 63.480 64.627 -1.147 1
1 47 . 3 1 1 A 12 12 PRO HA H 12 4.305 4.254 0.051 1
1 48 . 3 1 1 A 12 12 PRO CB C 12 32.288 31.809 0.479 1
1 57 . 3 1 1 A 12 12 PRO C C 12 176.266 176.147 0.119 1
1 58 . 3 1 1 A 13 13 PHE N N 13 118.209 117.770 0.439 1
1 59 . 3 1 1 A 13 13 PHE H H 13 8.027 7.777 0.250 1
1 60 . 3 1 1 A 13 13 PHE CA C 13 57.480 56.743 0.737 1
1 61 . 3 1 1 A 13 13 PHE HA H 13 4.646 4.999 -0.353 1
1 62 . 3 1 1 A 13 13 PHE CB C 13 39.143 39.732 -0.589 1
1 75 . 3 1 1 A 13 13 PHE C C 13 174.299 174.231 0.068 1
1 76 . 3 1 1 A 14 14 GLU N N 14 124.594 124.950 -0.356 1
1 77 . 3 1 1 A 14 14 GLU H H 14 8.557 9.039 -0.482 1
1 78 . 3 1 1 A 14 14 GLU CA C 14 55.040 54.784 0.256 1
1 79 . 3 1 1 A 14 14 GLU HA H 14 4.808 5.228 -0.420 1
1 80 . 3 1 1 A 14 14 GLU CB C 14 32.995 33.568 -0.573 1
1 86 . 3 1 1 A 14 14 GLU C C 14 175.064 175.041 0.023 1
1 87 . 3 1 1 A 15 15 CYS N N 15 127.042 125.420 1.622 1
1 88 . 3 1 1 A 15 15 CYS H H 15 9.223 9.402 -0.179 1
1 89 . 3 1 1 A 15 15 CYS CA C 15 59.448 58.822 0.626 1
1 90 . 3 1 1 A 15 15 CYS HA H 15 4.559 4.890 -0.331 1
1 91 . 3 1 1 A 15 15 CYS CB C 15 29.596 29.060 0.536 1
1 94 . 3 1 1 A 15 15 CYS C C 15 176.934 175.725 1.209 1
1 95 . 3 1 1 A 16 16 ALA N N 16 121.197 128.741 -7.544 1
1 96 . 3 1 1 A 16 16 ALA H H 16 9.386 8.491 0.895 1
1 97 . 3 1 1 A 16 16 ALA CA C 16 54.526 51.056 3.470 1
1 98 . 3 1 1 A 16 16 ALA HA H 16 4.243 4.750 -0.507 1
1 99 . 3 1 1 A 16 16 ALA CB C 16 18.918 19.114 -0.196 1
1 103 . 3 1 1 A 16 16 ALA C C 16 178.161 177.368 0.793 1
1 104 . 3 1 1 A 17 17 GLU N N 17 118.104 117.704 0.400 1
1 105 . 3 1 1 A 17 17 GLU H H 17 8.565 7.624 0.941 1
1 106 . 3 1 1 A 17 17 GLU CA C 17 58.342 57.279 1.063 1
1 107 . 3 1 1 A 17 17 GLU HA H 17 4.183 4.452 -0.269 1
1 108 . 3 1 1 A 17 17 GLU CB C 17 29.540 31.520 -1.980 1
1 114 . 3 1 1 A 17 17 GLU C C 17 177.383 177.676 -0.293 1
1 115 . 3 1 1 A 18 18 CYS N N 18 114.477 114.956 -0.479 1
1 116 . 3 1 1 A 18 18 CYS H H 18 7.922 7.788 0.134 1
1 117 . 3 1 1 A 18 18 CYS CA C 18 58.458 59.757 -1.299 1
1 118 . 3 1 1 A 18 18 CYS HA H 18 5.191 4.668 0.523 1
1 119 . 3 1 1 A 18 18 CYS CB C 18 32.615 29.860 2.755 1
1 122 . 3 1 1 A 18 18 CYS C C 18 176.327 175.359 0.968 1
1 123 . 3 1 1 A 19 19 GLY N N 19 113.483 109.519 3.964 1
1 124 . 3 1 1 A 19 19 GLY H H 19 8.278 8.232 0.046 1
1 125 . 3 1 1 A 19 19 GLY CA C 19 46.201 45.745 0.456 1
1 126 . 3 1 1 A 19 19 GLY HA2 H 19 4.245 4.065 0.180 1
1 127 . 3 1 1 A 19 19 GLY HA3 H 19 3.885 4.069 -0.184 1
1 128 . 3 1 1 A 19 19 GLY C C 19 173.983 173.902 0.081 1
1 129 . 3 1 1 A 20 20 LYS N N 20 122.831 119.794 3.037 1
1 130 . 3 1 1 A 20 20 LYS H H 20 7.964 7.792 0.172 1
1 131 . 3 1 1 A 20 20 LYS CA C 20 57.920 54.121 3.799 1
1 132 . 3 1 1 A 20 20 LYS HA H 20 4.054 4.732 -0.678 1
1 133 . 3 1 1 A 20 20 LYS CB C 20 33.613 35.600 -1.987 1
1 145 . 3 1 1 A 20 20 LYS C C 20 174.311 175.034 -0.723 1
1 146 . 3 1 1 A 21 21 SER N N 21 115.065 118.358 -3.293 1
1 147 . 3 1 1 A 21 21 SER H H 21 7.780 8.338 -0.558 1
1 148 . 3 1 1 A 21 21 SER CA C 21 56.653 56.572 0.081 1
1 149 . 3 1 1 A 21 21 SER HA H 21 5.311 5.432 -0.121 1
1 150 . 3 1 1 A 21 21 SER CB C 21 66.094 66.548 -0.454 1
1 153 . 3 1 1 A 21 21 SER C C 21 173.133 172.434 0.699 1
1 154 . 3 1 1 A 22 22 PHE N N 22 117.950 120.962 -3.012 1
1 155 . 3 1 1 A 22 22 PHE H H 22 8.696 8.127 0.569 1
1 156 . 3 1 1 A 22 22 PHE CA C 22 57.415 56.753 0.662 1
1 157 . 3 1 1 A 22 22 PHE HA H 22 4.824 4.986 -0.162 1
1 158 . 3 1 1 A 22 22 PHE CB C 22 43.800 43.698 0.102 1
1 171 . 3 1 1 A 22 22 PHE C C 22 175.440 175.846 -0.406 1
1 172 . 3 1 1 A 23 23 SER N N 23 116.091 115.615 0.476 1
1 173 . 3 1 1 A 23 23 SER H H 23 9.091 9.111 -0.020 1
1 174 . 3 1 1 A 23 23 SER CA C 23 61.106 60.130 0.976 1
1 175 . 3 1 1 A 23 23 SER HA H 23 4.681 4.739 -0.058 1
1 176 . 3 1 1 A 23 23 SER CB C 23 64.301 64.547 -0.246 1
1 179 . 3 1 1 A 23 23 SER C C 23 173.898 174.454 -0.556 1
1 180 . 3 1 1 A 24 24 ILE N N 24 114.094 117.721 -3.627 1
1 181 . 3 1 1 A 24 24 ILE H H 24 7.324 7.406 -0.082 1
1 182 . 3 1 1 A 24 24 ILE CA C 24 59.668 58.361 1.307 1
1 183 . 3 1 1 A 24 24 ILE HA H 24 4.710 4.441 0.269 1
1 184 . 3 1 1 A 24 24 ILE CB C 24 41.565 40.811 0.754 1
1 197 . 3 1 1 A 24 24 ILE C C 24 176.812 175.529 1.283 1
1 198 . 3 1 1 A 25 25 SER N N 25 122.408 119.709 2.699 1
1 199 . 3 1 1 A 25 25 SER H H 25 8.516 8.264 0.252 1
1 200 . 3 1 1 A 25 25 SER CA C 25 61.632 60.818 0.814 1
1 201 . 3 1 1 A 25 25 SER HA H 25 2.913 3.252 -0.339 1
1 202 . 3 1 1 A 25 25 SER CB C 25 61.900 62.365 -0.465 1
1 205 . 3 1 1 A 25 25 SER C C 25 175.441 176.372 -0.931 1
1 206 . 3 1 1 A 26 26 SER CA C 26 60.783 61.363 -0.580 1
1 207 . 3 1 1 A 26 26 SER HA H 26 4.116 4.073 0.043 1
1 208 . 3 1 1 A 26 26 SER CB C 26 61.616 62.213 -0.597 1
1 211 . 3 1 1 A 26 26 SER C C 26 177.043 176.866 0.177 1
1 212 . 3 1 1 A 27 27 GLN N N 27 120.773 120.275 0.498 1
1 213 . 3 1 1 A 27 27 GLN H H 27 6.969 7.886 -0.917 1
1 214 . 3 1 1 A 27 27 GLN CA C 27 57.897 58.644 -0.747 1
1 215 . 3 1 1 A 27 27 GLN HA H 27 4.039 3.841 0.198 1
1 216 . 3 1 1 A 27 27 GLN CB C 27 28.426 28.154 0.272 1
1 225 . 3 1 1 A 27 27 GLN C C 27 178.938 177.804 1.134 1
1 226 . 3 1 1 A 28 28 LEU N N 28 120.821 121.647 -0.826 1
1 227 . 3 1 1 A 28 28 LEU H H 28 6.728 7.454 -0.726 1
1 228 . 3 1 1 A 28 28 LEU CA C 28 57.617 57.736 -0.119 1
1 229 . 3 1 1 A 28 28 LEU HA H 28 3.384 2.694 0.690 1
1 230 . 3 1 1 A 28 28 LEU CB C 28 40.143 41.453 -1.310 1
1 243 . 3 1 1 A 28 28 LEU C C 28 177.298 177.938 -0.640 1
1 244 . 3 1 1 A 29 29 ALA N N 29 121.094 119.968 1.126 1
1 245 . 3 1 1 A 29 29 ALA H H 29 7.783 8.446 -0.663 1
1 246 . 3 1 1 A 29 29 ALA CA C 29 55.263 55.113 0.150 1
1 247 . 3 1 1 A 29 29 ALA HA H 29 4.170 4.034 0.136 1
1 248 . 3 1 1 A 29 29 ALA CB C 29 17.736 18.529 -0.793 1
1 252 . 3 1 1 A 29 29 ALA C C 29 180.735 179.609 1.126 1
1 253 . 3 1 1 A 30 30 THR N N 30 113.821 114.710 -0.889 1
1 254 . 3 1 1 A 30 30 THR H H 30 7.746 7.690 0.056 1
1 255 . 3 1 1 A 30 30 THR CA C 30 66.306 66.271 0.035 1
1 256 . 3 1 1 A 30 30 THR HA H 30 3.817 3.835 -0.018 1
1 257 . 3 1 1 A 30 30 THR CB C 30 68.819 68.200 0.619 1
1 263 . 3 1 1 A 30 30 THR C C 30 176.566 176.720 -0.154 1
1 264 . 3 1 1 A 31 31 HIS N N 31 121.819 121.031 0.788 1
1 265 . 3 1 1 A 31 31 HIS H H 31 7.543 7.659 -0.116 1
1 266 . 3 1 1 A 31 31 HIS CA C 31 59.405 59.887 -0.482 1
1 267 . 3 1 1 A 31 31 HIS HA H 31 4.166 4.267 -0.101 1
1 268 . 3 1 1 A 31 31 HIS CB C 31 28.632 29.942 -1.310 1
1 275 . 3 1 1 A 31 31 HIS C C 31 176.084 177.683 -1.599 1
1 276 . 3 1 1 A 32 32 GLN N N 32 115.014 118.490 -3.476 1
1 277 . 3 1 1 A 32 32 GLN H H 32 8.439 8.084 0.355 1
1 278 . 3 1 1 A 32 32 GLN CA C 32 59.346 58.413 0.933 1
1 279 . 3 1 1 A 32 32 GLN HA H 32 3.717 3.963 -0.246 1
1 280 . 3 1 1 A 32 32 GLN CB C 32 28.356 28.198 0.158 1
1 289 . 3 1 1 A 32 32 GLN C C 32 177.457 178.850 -1.393 1
1 290 . 3 1 1 A 33 33 ARG N N 33 117.225 119.808 -2.583 1
1 291 . 3 1 1 A 33 33 ARG H H 33 7.124 8.001 -0.877 1
1 292 . 3 1 1 A 33 33 ARG CA C 33 58.406 59.140 -0.734 1
1 293 . 3 1 1 A 33 33 ARG HA H 33 4.151 4.092 0.059 1
1 294 . 3 1 1 A 33 33 ARG CB C 33 29.973 30.062 -0.089 1
1 303 . 3 1 1 A 33 33 ARG C C 33 178.610 179.193 -0.583 1
1 304 . 3 1 1 A 34 34 ILE N N 34 116.430 117.006 -0.576 1
1 305 . 3 1 1 A 34 34 ILE H H 34 7.824 7.487 0.337 1
1 306 . 3 1 1 A 34 34 ILE CA C 34 63.156 63.052 0.104 1
1 307 . 3 1 1 A 34 34 ILE HA H 34 3.975 3.842 0.133 1
1 308 . 3 1 1 A 34 34 ILE CB C 34 37.697 37.454 0.243 1
1 321 . 3 1 1 A 34 34 ILE C C 34 177.432 177.202 0.230 1
1 322 . 3 1 1 A 35 35 HIS N N 35 117.622 119.347 -1.725 1
1 323 . 3 1 1 A 35 35 HIS H H 35 7.205 7.418 -0.213 1
1 324 . 3 1 1 A 35 35 HIS CA C 35 55.332 57.818 -2.486 1
1 325 . 3 1 1 A 35 35 HIS HA H 35 4.866 4.513 0.353 1
1 326 . 3 1 1 A 35 35 HIS CB C 35 28.598 31.331 -2.733 1
1 333 . 3 1 1 A 35 35 HIS C C 35 175.877 175.533 0.344 1
1 334 . 3 1 1 A 36 36 THR N N 36 111.682 107.627 4.055 1
1 335 . 3 1 1 A 36 36 THR H H 36 7.791 7.574 0.217 1
1 336 . 3 1 1 A 36 36 THR CA C 36 62.540 61.076 1.464 1
1 337 . 3 1 1 A 36 36 THR HA H 36 4.366 4.375 -0.009 1
1 338 . 3 1 1 A 36 36 THR CB C 36 69.869 68.428 1.441 1
1 344 . 3 1 1 A 36 36 THR C C 36 175.490 174.333 1.157 1
1 345 . 3 1 1 A 37 37 GLY N N 37 111.018 112.345 -1.327 1
1 346 . 3 1 1 A 37 37 GLY H H 37 8.462 8.683 -0.221 1
1 347 . 3 1 1 A 37 37 GLY CA C 37 45.323 44.465 0.858 1
1 348 . 3 1 1 A 37 37 GLY HA2 H 37 3.967 4.072 -0.105 1
1 349 . 3 1 1 A 37 37 GLY HA3 H 37 4.042 4.078 -0.036 1
1 350 . 3 1 1 A 37 37 GLY C C 37 174.068 172.923 1.145 1
1 351 . 3 1 1 A 38 38 GLU N N 38 120.568 117.230 3.338 1
1 352 . 3 1 1 A 38 38 GLU H H 38 8.092 8.922 -0.830 1
1 353 . 3 1 1 A 38 38 GLU CA C 38 56.475 55.325 1.150 1
1 354 . 3 1 1 A 38 38 GLU HA H 38 4.262 5.185 -0.923 1
1 355 . 3 1 1 A 38 38 GLU CB C 38 30.555 33.310 -2.755 1
1 361 . 3 1 1 A 38 38 GLU C C 38 176.242 174.266 1.976 1
1 362 . 3 1 1 A 39 39 LYS N N 39 123.829 120.429 3.400 1
1 363 . 3 1 1 A 39 39 LYS H H 39 8.398 8.647 -0.249 1
1 364 . 3 1 1 A 39 39 LYS CA C 39 54.142 53.105 1.037 1
1 365 . 3 1 1 A 39 39 LYS HA H 39 4.624 4.860 -0.236 1
1 366 . 3 1 1 A 39 39 LYS CB C 39 32.528 36.182 -3.654 1
1 378 . 3 1 1 A 40 40 PRO CA C 40 63.167 64.538 -1.371 1
1 379 . 3 1 1 A 40 40 PRO HA H 40 4.470 4.390 0.080 1
1 380 . 3 1 1 A 40 40 PRO CB C 40 32.193 31.902 0.291 1
1 389 . 3 1 1 A 40 40 PRO C C 40 177.019 177.252 -0.233 1
1 390 . 3 1 1 A 41 41 SER N N 41 116.494 111.905 4.589 1
1 391 . 3 1 1 A 41 41 SER H H 41 8.475 8.249 0.226 1
1 392 . 3 1 1 A 41 41 SER CA C 41 58.355 61.011 -2.656 1
1 393 . 3 1 1 A 41 41 SER HA H 41 4.472 4.220 0.252 1
1 394 . 3 1 1 A 41 41 SER CB C 41 64.047 63.072 0.975 1
1 396 . 3 1 1 A 41 41 SER C C 41 174.761 175.131 -0.370 1
1 397 . 3 1 1 A 42 42 GLY CA C 42 44.674 46.148 -1.474 1
1 398 . 3 1 1 A 42 42 GLY HA2 H 42 4.117 4.245 -0.128 1
1 399 . 3 1 1 A 42 42 GLY HA3 H 42 4.175 4.245 -0.070 1
1 400 . 3 1 1 A 43 43 PRO CA C 43 63.252 62.511 0.741 1
1 401 . 3 1 1 A 43 43 PRO HA H 43 4.485 4.652 -0.167 1
1 402 . 3 1 1 A 43 43 PRO CB C 43 32.259 33.212 -0.953 1
1 411 . 3 1 1 A 45 45 SER CA C 45 58.354 57.154 1.200 1
1 412 . 3 1 1 A 45 45 SER HA H 45 4.511 4.828 -0.317 1
1 413 . 3 1 1 A 45 45 SER CB C 45 64.043 65.954 -1.911 1
1 416 . 3 1 1 A 45 45 SER C C 45 173.934 172.919 1.015 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.446 46.002 -0.556 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 4.044 3.917 0.127 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.517 174.809 -0.292 1
1 4 . 4 1 1 A 8 8 THR N N 8 112.820 118.199 -5.379 1
1 5 . 4 1 1 A 8 8 THR H H 8 8.156 8.575 -0.419 1
1 6 . 4 1 1 A 8 8 THR CA C 8 61.841 61.722 0.119 1
1 7 . 4 1 1 A 8 8 THR HA H 8 4.387 4.488 -0.101 1
1 8 . 4 1 1 A 8 8 THR CB C 8 69.860 68.455 1.405 1
1 14 . 4 1 1 A 8 8 THR C C 8 175.270 173.751 1.519 1
1 15 . 4 1 1 A 9 9 GLY N N 9 110.629 110.549 0.080 1
1 16 . 4 1 1 A 9 9 GLY H H 9 8.224 7.268 0.956 1
1 17 . 4 1 1 A 9 9 GLY CA C 9 45.301 45.052 0.249 1
1 18 . 4 1 1 A 9 9 GLY HA2 H 9 3.936 4.082 -0.146 1
1 19 . 4 1 1 A 9 9 GLY HA3 H 9 3.974 4.085 -0.111 1
1 20 . 4 1 1 A 10 10 GLU N N 10 120.185 120.338 -0.153 1
1 21 . 4 1 1 A 10 10 GLU H H 10 8.244 8.537 -0.293 1
1 22 . 4 1 1 A 10 10 GLU CA C 10 56.913 55.320 1.593 1
1 23 . 4 1 1 A 10 10 GLU HA H 10 4.206 4.958 -0.752 1
1 24 . 4 1 1 A 10 10 GLU CB C 10 30.432 31.489 -1.057 1
1 30 . 4 1 1 A 11 11 LYS N N 11 121.853 126.508 -4.655 1
1 31 . 4 1 1 A 11 11 LYS H H 11 8.314 8.731 -0.417 1
1 32 . 4 1 1 A 11 11 LYS CA C 11 53.894 53.625 0.269 1
1 33 . 4 1 1 A 11 11 LYS HA H 11 4.547 5.104 -0.557 1
1 34 . 4 1 1 A 11 11 LYS CB C 11 32.861 33.093 -0.232 1
1 45 . 4 1 1 A 11 11 LYS C C 11 174.542 175.294 -0.752 1
1 46 . 4 1 1 A 12 12 PRO CA C 12 63.480 64.317 -0.837 1
1 47 . 4 1 1 A 12 12 PRO HA H 12 4.305 4.566 -0.261 1
1 48 . 4 1 1 A 12 12 PRO CB C 12 32.288 32.043 0.245 1
1 57 . 4 1 1 A 12 12 PRO C C 12 176.266 176.351 -0.085 1
1 58 . 4 1 1 A 13 13 PHE N N 13 118.209 117.547 0.662 1
1 59 . 4 1 1 A 13 13 PHE H H 13 8.027 7.753 0.274 1
1 60 . 4 1 1 A 13 13 PHE CA C 13 57.480 56.560 0.920 1
1 61 . 4 1 1 A 13 13 PHE HA H 13 4.646 5.162 -0.516 1
1 62 . 4 1 1 A 13 13 PHE CB C 13 39.143 42.239 -3.096 1
1 75 . 4 1 1 A 13 13 PHE C C 13 174.299 174.934 -0.635 1
1 76 . 4 1 1 A 14 14 GLU N N 14 124.594 120.406 4.188 1
1 77 . 4 1 1 A 14 14 GLU H H 14 8.557 9.194 -0.637 1
1 78 . 4 1 1 A 14 14 GLU CA C 14 55.040 54.800 0.240 1
1 79 . 4 1 1 A 14 14 GLU HA H 14 4.808 5.128 -0.320 1
1 80 . 4 1 1 A 14 14 GLU CB C 14 32.995 33.622 -0.627 1
1 86 . 4 1 1 A 14 14 GLU C C 14 175.064 174.543 0.521 1
1 87 . 4 1 1 A 15 15 CYS N N 15 127.042 120.347 6.695 1
1 88 . 4 1 1 A 15 15 CYS H H 15 9.223 8.943 0.280 1
1 89 . 4 1 1 A 15 15 CYS CA C 15 59.448 57.827 1.621 1
1 90 . 4 1 1 A 15 15 CYS HA H 15 4.559 5.011 -0.452 1
1 91 . 4 1 1 A 15 15 CYS CB C 15 29.596 29.944 -0.348 1
1 94 . 4 1 1 A 15 15 CYS C C 15 176.934 175.576 1.358 1
1 95 . 4 1 1 A 16 16 ALA N N 16 121.197 128.716 -7.519 1
1 96 . 4 1 1 A 16 16 ALA H H 16 9.386 8.465 0.921 1
1 97 . 4 1 1 A 16 16 ALA CA C 16 54.526 51.423 3.103 1
1 98 . 4 1 1 A 16 16 ALA HA H 16 4.243 4.689 -0.446 1
1 99 . 4 1 1 A 16 16 ALA CB C 16 18.918 19.341 -0.423 1
1 103 . 4 1 1 A 16 16 ALA C C 16 178.161 177.273 0.888 1
1 104 . 4 1 1 A 17 17 GLU N N 17 118.104 117.658 0.446 1
1 105 . 4 1 1 A 17 17 GLU H H 17 8.565 7.573 0.992 1
1 106 . 4 1 1 A 17 17 GLU CA C 17 58.342 57.258 1.084 1
1 107 . 4 1 1 A 17 17 GLU HA H 17 4.183 4.509 -0.326 1
1 108 . 4 1 1 A 17 17 GLU CB C 17 29.540 31.679 -2.139 1
1 114 . 4 1 1 A 17 17 GLU C C 17 177.383 177.791 -0.408 1
1 115 . 4 1 1 A 18 18 CYS N N 18 114.477 114.985 -0.508 1
1 116 . 4 1 1 A 18 18 CYS H H 18 7.922 7.667 0.255 1
1 117 . 4 1 1 A 18 18 CYS CA C 18 58.458 59.855 -1.397 1
1 118 . 4 1 1 A 18 18 CYS HA H 18 5.191 4.627 0.564 1
1 119 . 4 1 1 A 18 18 CYS CB C 18 32.615 29.488 3.127 1
1 122 . 4 1 1 A 18 18 CYS C C 18 176.327 175.341 0.986 1
1 123 . 4 1 1 A 19 19 GLY N N 19 113.483 109.761 3.722 1
1 124 . 4 1 1 A 19 19 GLY H H 19 8.278 8.356 -0.078 1
1 125 . 4 1 1 A 19 19 GLY CA C 19 46.201 46.054 0.147 1
1 126 . 4 1 1 A 19 19 GLY HA2 H 19 4.245 4.053 0.192 1
1 127 . 4 1 1 A 19 19 GLY HA3 H 19 3.885 4.053 -0.168 1
1 128 . 4 1 1 A 19 19 GLY C C 19 173.983 173.982 0.001 1
1 129 . 4 1 1 A 20 20 LYS N N 20 122.831 119.809 3.022 1
1 130 . 4 1 1 A 20 20 LYS H H 20 7.964 7.767 0.197 1
1 131 . 4 1 1 A 20 20 LYS CA C 20 57.920 54.706 3.214 1
1 132 . 4 1 1 A 20 20 LYS HA H 20 4.054 4.577 -0.523 1
1 133 . 4 1 1 A 20 20 LYS CB C 20 33.613 35.386 -1.773 1
1 145 . 4 1 1 A 20 20 LYS C C 20 174.311 175.147 -0.836 1
1 146 . 4 1 1 A 21 21 SER N N 21 115.065 119.419 -4.354 1
1 147 . 4 1 1 A 21 21 SER H H 21 7.780 8.735 -0.955 1
1 148 . 4 1 1 A 21 21 SER CA C 21 56.653 56.235 0.418 1
1 149 . 4 1 1 A 21 21 SER HA H 21 5.311 5.155 0.156 1
1 150 . 4 1 1 A 21 21 SER CB C 21 66.094 65.334 0.760 1
1 153 . 4 1 1 A 21 21 SER C C 21 173.133 173.307 -0.174 1
1 154 . 4 1 1 A 22 22 PHE N N 22 117.950 118.079 -0.129 1
1 155 . 4 1 1 A 22 22 PHE H H 22 8.696 8.896 -0.200 1
1 156 . 4 1 1 A 22 22 PHE CA C 22 57.415 56.592 0.823 1
1 157 . 4 1 1 A 22 22 PHE HA H 22 4.824 5.057 -0.233 1
1 158 . 4 1 1 A 22 22 PHE CB C 22 43.800 43.773 0.027 1
1 171 . 4 1 1 A 22 22 PHE C C 22 175.440 175.703 -0.263 1
1 172 . 4 1 1 A 23 23 SER N N 23 116.091 116.562 -0.471 1
1 173 . 4 1 1 A 23 23 SER H H 23 9.091 9.244 -0.153 1
1 174 . 4 1 1 A 23 23 SER CA C 23 61.106 59.948 1.158 1
1 175 . 4 1 1 A 23 23 SER HA H 23 4.681 4.579 0.102 1
1 176 . 4 1 1 A 23 23 SER CB C 23 64.301 64.854 -0.553 1
1 179 . 4 1 1 A 23 23 SER C C 23 173.898 174.275 -0.377 1
1 180 . 4 1 1 A 24 24 ILE N N 24 114.094 116.608 -2.514 1
1 181 . 4 1 1 A 24 24 ILE H H 24 7.324 7.415 -0.091 1
1 182 . 4 1 1 A 24 24 ILE CA C 24 59.668 58.551 1.117 1
1 183 . 4 1 1 A 24 24 ILE HA H 24 4.710 4.409 0.301 1
1 184 . 4 1 1 A 24 24 ILE CB C 24 41.565 40.433 1.132 1
1 197 . 4 1 1 A 24 24 ILE C C 24 176.812 175.924 0.888 1
1 198 . 4 1 1 A 25 25 SER N N 25 122.408 116.876 5.532 1
1 199 . 4 1 1 A 25 25 SER H H 25 8.516 8.394 0.122 1
1 200 . 4 1 1 A 25 25 SER CA C 25 61.632 60.752 0.880 1
1 201 . 4 1 1 A 25 25 SER HA H 25 2.913 3.472 -0.559 1
1 202 . 4 1 1 A 25 25 SER CB C 25 61.900 62.183 -0.283 1
1 205 . 4 1 1 A 25 25 SER C C 25 175.441 176.494 -1.053 1
1 206 . 4 1 1 A 26 26 SER CA C 26 60.783 61.199 -0.416 1
1 207 . 4 1 1 A 26 26 SER HA H 26 4.116 4.044 0.072 1
1 208 . 4 1 1 A 26 26 SER CB C 26 61.616 62.960 -1.344 1
1 211 . 4 1 1 A 26 26 SER C C 26 177.043 176.737 0.306 1
1 212 . 4 1 1 A 27 27 GLN N N 27 120.773 121.361 -0.588 1
1 213 . 4 1 1 A 27 27 GLN H H 27 6.969 7.561 -0.592 1
1 214 . 4 1 1 A 27 27 GLN CA C 27 57.897 58.348 -0.451 1
1 215 . 4 1 1 A 27 27 GLN HA H 27 4.039 3.918 0.121 1
1 216 . 4 1 1 A 27 27 GLN CB C 27 28.426 28.385 0.041 1
1 225 . 4 1 1 A 27 27 GLN C C 27 178.938 177.786 1.152 1
1 226 . 4 1 1 A 28 28 LEU N N 28 120.821 121.340 -0.519 1
1 227 . 4 1 1 A 28 28 LEU H H 28 6.728 7.165 -0.437 1
1 228 . 4 1 1 A 28 28 LEU CA C 28 57.617 57.121 0.496 1
1 229 . 4 1 1 A 28 28 LEU HA H 28 3.384 3.254 0.130 1
1 230 . 4 1 1 A 28 28 LEU CB C 28 40.143 41.369 -1.226 1
1 243 . 4 1 1 A 28 28 LEU C C 28 177.298 178.509 -1.211 1
1 244 . 4 1 1 A 29 29 ALA N N 29 121.094 121.089 0.005 1
1 245 . 4 1 1 A 29 29 ALA H H 29 7.783 8.521 -0.738 1
1 246 . 4 1 1 A 29 29 ALA CA C 29 55.263 55.215 0.048 1
1 247 . 4 1 1 A 29 29 ALA HA H 29 4.170 4.057 0.113 1
1 248 . 4 1 1 A 29 29 ALA CB C 29 17.736 18.407 -0.671 1
1 252 . 4 1 1 A 29 29 ALA C C 29 180.735 180.233 0.502 1
1 253 . 4 1 1 A 30 30 THR N N 30 113.821 114.442 -0.621 1
1 254 . 4 1 1 A 30 30 THR H H 30 7.746 7.614 0.132 1
1 255 . 4 1 1 A 30 30 THR CA C 30 66.306 65.320 0.986 1
1 256 . 4 1 1 A 30 30 THR HA H 30 3.817 3.985 -0.168 1
1 257 . 4 1 1 A 30 30 THR CB C 30 68.819 68.401 0.418 1
1 263 . 4 1 1 A 30 30 THR C C 30 176.566 176.380 0.186 1
1 264 . 4 1 1 A 31 31 HIS N N 31 121.819 120.980 0.839 1
1 265 . 4 1 1 A 31 31 HIS H H 31 7.543 7.809 -0.266 1
1 266 . 4 1 1 A 31 31 HIS CA C 31 59.405 58.939 0.466 1
1 267 . 4 1 1 A 31 31 HIS HA H 31 4.166 4.222 -0.056 1
1 268 . 4 1 1 A 31 31 HIS CB C 31 28.632 30.129 -1.497 1
1 275 . 4 1 1 A 31 31 HIS C C 31 176.084 177.389 -1.305 1
1 276 . 4 1 1 A 32 32 GLN N N 32 115.014 118.442 -3.428 1
1 277 . 4 1 1 A 32 32 GLN H H 32 8.439 8.519 -0.080 1
1 278 . 4 1 1 A 32 32 GLN CA C 32 59.346 58.437 0.909 1
1 279 . 4 1 1 A 32 32 GLN HA H 32 3.717 4.027 -0.310 1
1 280 . 4 1 1 A 32 32 GLN CB C 32 28.356 28.446 -0.090 1
1 289 . 4 1 1 A 32 32 GLN C C 32 177.457 178.979 -1.522 1
1 290 . 4 1 1 A 33 33 ARG N N 33 117.225 119.657 -2.432 1
1 291 . 4 1 1 A 33 33 ARG H H 33 7.124 7.962 -0.838 1
1 292 . 4 1 1 A 33 33 ARG CA C 33 58.406 59.245 -0.839 1
1 293 . 4 1 1 A 33 33 ARG HA H 33 4.151 4.052 0.099 1
1 294 . 4 1 1 A 33 33 ARG CB C 33 29.973 30.162 -0.189 1
1 303 . 4 1 1 A 33 33 ARG C C 33 178.610 179.203 -0.593 1
1 304 . 4 1 1 A 34 34 ILE N N 34 116.430 116.946 -0.516 1
1 305 . 4 1 1 A 34 34 ILE H H 34 7.824 7.426 0.398 1
1 306 . 4 1 1 A 34 34 ILE CA C 34 63.156 63.016 0.140 1
1 307 . 4 1 1 A 34 34 ILE HA H 34 3.975 3.913 0.062 1
1 308 . 4 1 1 A 34 34 ILE CB C 34 37.697 37.420 0.277 1
1 321 . 4 1 1 A 34 34 ILE C C 34 177.432 176.958 0.474 1
1 322 . 4 1 1 A 35 35 HIS N N 35 117.622 119.063 -1.441 1
1 323 . 4 1 1 A 35 35 HIS H H 35 7.205 7.745 -0.540 1
1 324 . 4 1 1 A 35 35 HIS CA C 35 55.332 57.103 -1.771 1
1 325 . 4 1 1 A 35 35 HIS HA H 35 4.866 4.553 0.313 1
1 326 . 4 1 1 A 35 35 HIS CB C 35 28.598 31.798 -3.200 1
1 333 . 4 1 1 A 35 35 HIS C C 35 175.877 175.072 0.805 1
1 334 . 4 1 1 A 36 36 THR N N 36 111.682 112.463 -0.781 1
1 335 . 4 1 1 A 36 36 THR H H 36 7.791 7.603 0.188 1
1 336 . 4 1 1 A 36 36 THR CA C 36 62.540 60.071 2.469 1
1 337 . 4 1 1 A 36 36 THR HA H 36 4.366 4.586 -0.220 1
1 338 . 4 1 1 A 36 36 THR CB C 36 69.869 70.625 -0.756 1
1 344 . 4 1 1 A 36 36 THR C C 36 175.490 173.761 1.729 1
1 345 . 4 1 1 A 37 37 GLY N N 37 111.018 113.820 -2.802 1
1 346 . 4 1 1 A 37 37 GLY H H 37 8.462 8.223 0.239 1
1 347 . 4 1 1 A 37 37 GLY CA C 37 45.323 45.980 -0.657 1
1 348 . 4 1 1 A 37 37 GLY HA2 H 37 3.967 4.010 -0.043 1
1 349 . 4 1 1 A 37 37 GLY HA3 H 37 4.042 4.014 0.028 1
1 350 . 4 1 1 A 37 37 GLY C C 37 174.068 173.479 0.589 1
1 351 . 4 1 1 A 38 38 GLU N N 38 120.568 117.317 3.251 1
1 352 . 4 1 1 A 38 38 GLU H H 38 8.092 7.852 0.240 1
1 353 . 4 1 1 A 38 38 GLU CA C 38 56.475 54.794 1.681 1
1 354 . 4 1 1 A 38 38 GLU HA H 38 4.262 4.806 -0.544 1
1 355 . 4 1 1 A 38 38 GLU CB C 38 30.555 33.728 -3.173 1
1 361 . 4 1 1 A 38 38 GLU C C 38 176.242 174.659 1.583 1
1 362 . 4 1 1 A 39 39 LYS N N 39 123.829 126.347 -2.518 1
1 363 . 4 1 1 A 39 39 LYS H H 39 8.398 8.962 -0.564 1
1 364 . 4 1 1 A 39 39 LYS CA C 39 54.142 52.833 1.309 1
1 365 . 4 1 1 A 39 39 LYS HA H 39 4.624 4.954 -0.330 1
1 366 . 4 1 1 A 39 39 LYS CB C 39 32.528 33.748 -1.220 1
1 378 . 4 1 1 A 40 40 PRO CA C 40 63.167 64.213 -1.046 1
1 379 . 4 1 1 A 40 40 PRO HA H 40 4.470 4.542 -0.072 1
1 380 . 4 1 1 A 40 40 PRO CB C 40 32.193 31.627 0.566 1
1 389 . 4 1 1 A 40 40 PRO C C 40 177.019 176.031 0.988 1
1 390 . 4 1 1 A 41 41 SER N N 41 116.494 113.551 2.943 1
1 391 . 4 1 1 A 41 41 SER H H 41 8.475 7.830 0.645 1
1 392 . 4 1 1 A 41 41 SER CA C 41 58.355 57.309 1.046 1
1 393 . 4 1 1 A 41 41 SER HA H 41 4.472 4.562 -0.090 1
1 394 . 4 1 1 A 41 41 SER CB C 41 64.047 64.657 -0.610 1
1 396 . 4 1 1 A 41 41 SER C C 41 174.761 174.458 0.303 1
1 397 . 4 1 1 A 42 42 GLY CA C 42 44.674 47.023 -2.349 1
1 398 . 4 1 1 A 42 42 GLY HA2 H 42 4.117 3.925 0.192 1
1 399 . 4 1 1 A 42 42 GLY HA3 H 42 4.175 3.926 0.249 1
1 400 . 4 1 1 A 43 43 PRO CA C 43 63.252 64.196 -0.944 1
1 401 . 4 1 1 A 43 43 PRO HA H 43 4.485 4.533 -0.048 1
1 402 . 4 1 1 A 43 43 PRO CB C 43 32.259 31.966 0.293 1
1 411 . 4 1 1 A 45 45 SER CA C 45 58.354 57.369 0.985 1
1 412 . 4 1 1 A 45 45 SER HA H 45 4.511 5.127 -0.616 1
1 413 . 4 1 1 A 45 45 SER CB C 45 64.043 64.074 -0.031 1
1 416 . 4 1 1 A 45 45 SER C C 45 173.934 174.478 -0.544 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.446 44.697 0.749 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 4.044 4.117 -0.073 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.517 174.539 -0.022 1
1 4 . 5 1 1 A 8 8 THR N N 8 112.820 115.406 -2.586 1
1 5 . 5 1 1 A 8 8 THR H H 8 8.156 8.594 -0.438 1
1 6 . 5 1 1 A 8 8 THR CA C 8 61.841 62.858 -1.017 1
1 7 . 5 1 1 A 8 8 THR HA H 8 4.387 4.506 -0.119 1
1 8 . 5 1 1 A 8 8 THR CB C 8 69.860 70.746 -0.886 1
1 14 . 5 1 1 A 8 8 THR C C 8 175.270 174.565 0.705 1
1 15 . 5 1 1 A 9 9 GLY N N 9 110.629 107.448 3.181 1
1 16 . 5 1 1 A 9 9 GLY H H 9 8.224 7.897 0.327 1
1 17 . 5 1 1 A 9 9 GLY CA C 9 45.301 45.166 0.135 1
1 18 . 5 1 1 A 9 9 GLY HA2 H 9 3.936 4.045 -0.109 1
1 19 . 5 1 1 A 9 9 GLY HA3 H 9 3.974 4.045 -0.071 1
1 20 . 5 1 1 A 10 10 GLU N N 10 120.185 119.942 0.243 1
1 21 . 5 1 1 A 10 10 GLU H H 10 8.244 8.546 -0.302 1
1 22 . 5 1 1 A 10 10 GLU CA C 10 56.913 55.557 1.356 1
1 23 . 5 1 1 A 10 10 GLU HA H 10 4.206 4.789 -0.583 1
1 24 . 5 1 1 A 10 10 GLU CB C 10 30.432 29.459 0.973 1
1 30 . 5 1 1 A 11 11 LYS N N 11 121.853 123.357 -1.504 1
1 31 . 5 1 1 A 11 11 LYS H H 11 8.314 7.925 0.389 1
1 32 . 5 1 1 A 11 11 LYS CA C 11 53.894 53.372 0.522 1
1 33 . 5 1 1 A 11 11 LYS HA H 11 4.547 4.738 -0.191 1
1 34 . 5 1 1 A 11 11 LYS CB C 11 32.861 33.236 -0.375 1
1 45 . 5 1 1 A 11 11 LYS C C 11 174.542 176.388 -1.846 1
1 46 . 5 1 1 A 12 12 PRO CA C 12 63.480 64.508 -1.028 1
1 47 . 5 1 1 A 12 12 PRO HA H 12 4.305 4.244 0.061 1
1 48 . 5 1 1 A 12 12 PRO CB C 12 32.288 31.761 0.527 1
1 57 . 5 1 1 A 12 12 PRO C C 12 176.266 176.192 0.074 1
1 58 . 5 1 1 A 13 13 PHE N N 13 118.209 117.649 0.560 1
1 59 . 5 1 1 A 13 13 PHE H H 13 8.027 7.684 0.343 1
1 60 . 5 1 1 A 13 13 PHE CA C 13 57.480 56.473 1.007 1
1 61 . 5 1 1 A 13 13 PHE HA H 13 4.646 5.045 -0.399 1
1 62 . 5 1 1 A 13 13 PHE CB C 13 39.143 40.034 -0.891 1
1 75 . 5 1 1 A 13 13 PHE C C 13 174.299 174.172 0.127 1
1 76 . 5 1 1 A 14 14 GLU N N 14 124.594 125.150 -0.556 1
1 77 . 5 1 1 A 14 14 GLU H H 14 8.557 9.052 -0.495 1
1 78 . 5 1 1 A 14 14 GLU CA C 14 55.040 54.594 0.446 1
1 79 . 5 1 1 A 14 14 GLU HA H 14 4.808 5.153 -0.345 1
1 80 . 5 1 1 A 14 14 GLU CB C 14 32.995 33.073 -0.078 1
1 86 . 5 1 1 A 14 14 GLU C C 14 175.064 175.673 -0.609 1
1 87 . 5 1 1 A 15 15 CYS N N 15 127.042 126.214 0.828 1
1 88 . 5 1 1 A 15 15 CYS H H 15 9.223 9.128 0.095 1
1 89 . 5 1 1 A 15 15 CYS CA C 15 59.448 59.638 -0.190 1
1 90 . 5 1 1 A 15 15 CYS HA H 15 4.559 4.644 -0.085 1
1 91 . 5 1 1 A 15 15 CYS CB C 15 29.596 28.334 1.262 1
1 94 . 5 1 1 A 15 15 CYS C C 15 176.934 176.471 0.463 1
1 95 . 5 1 1 A 16 16 ALA N N 16 121.197 130.485 -9.288 1
1 96 . 5 1 1 A 16 16 ALA H H 16 9.386 8.901 0.485 1
1 97 . 5 1 1 A 16 16 ALA CA C 16 54.526 51.661 2.865 1
1 98 . 5 1 1 A 16 16 ALA HA H 16 4.243 4.597 -0.354 1
1 99 . 5 1 1 A 16 16 ALA CB C 16 18.918 19.099 -0.181 1
1 103 . 5 1 1 A 16 16 ALA C C 16 178.161 177.264 0.897 1
1 104 . 5 1 1 A 17 17 GLU N N 17 118.104 117.558 0.546 1
1 105 . 5 1 1 A 17 17 GLU H H 17 8.565 7.931 0.634 1
1 106 . 5 1 1 A 17 17 GLU CA C 17 58.342 57.113 1.229 1
1 107 . 5 1 1 A 17 17 GLU HA H 17 4.183 4.420 -0.237 1
1 108 . 5 1 1 A 17 17 GLU CB C 17 29.540 31.308 -1.768 1
1 114 . 5 1 1 A 17 17 GLU C C 17 177.383 177.750 -0.367 1
1 115 . 5 1 1 A 18 18 CYS N N 18 114.477 114.654 -0.177 1
1 116 . 5 1 1 A 18 18 CYS H H 18 7.922 8.144 -0.222 1
1 117 . 5 1 1 A 18 18 CYS CA C 18 58.458 59.798 -1.340 1
1 118 . 5 1 1 A 18 18 CYS HA H 18 5.191 4.690 0.501 1
1 119 . 5 1 1 A 18 18 CYS CB C 18 32.615 29.889 2.726 1
1 122 . 5 1 1 A 18 18 CYS C C 18 176.327 175.381 0.946 1
1 123 . 5 1 1 A 19 19 GLY N N 19 113.483 109.839 3.644 1
1 124 . 5 1 1 A 19 19 GLY H H 19 8.278 8.289 -0.011 1
1 125 . 5 1 1 A 19 19 GLY CA C 19 46.201 45.500 0.701 1
1 126 . 5 1 1 A 19 19 GLY HA2 H 19 4.245 4.059 0.186 1
1 127 . 5 1 1 A 19 19 GLY HA3 H 19 3.885 4.063 -0.178 1
1 128 . 5 1 1 A 19 19 GLY C C 19 173.983 174.032 -0.049 1
1 129 . 5 1 1 A 20 20 LYS N N 20 122.831 119.564 3.267 1
1 130 . 5 1 1 A 20 20 LYS H H 20 7.964 7.851 0.113 1
1 131 . 5 1 1 A 20 20 LYS CA C 20 57.920 54.355 3.565 1
1 132 . 5 1 1 A 20 20 LYS HA H 20 4.054 4.645 -0.591 1
1 133 . 5 1 1 A 20 20 LYS CB C 20 33.613 35.081 -1.468 1
1 145 . 5 1 1 A 20 20 LYS C C 20 174.311 174.942 -0.631 1
1 146 . 5 1 1 A 21 21 SER N N 21 115.065 116.150 -1.085 1
1 147 . 5 1 1 A 21 21 SER H H 21 7.780 8.715 -0.935 1
1 148 . 5 1 1 A 21 21 SER CA C 21 56.653 56.042 0.611 1
1 149 . 5 1 1 A 21 21 SER HA H 21 5.311 5.594 -0.283 1
1 150 . 5 1 1 A 21 21 SER CB C 21 66.094 65.916 0.178 1
1 153 . 5 1 1 A 21 21 SER C C 21 173.133 173.534 -0.401 1
1 154 . 5 1 1 A 22 22 PHE N N 22 117.950 117.983 -0.033 1
1 155 . 5 1 1 A 22 22 PHE H H 22 8.696 8.421 0.275 1
1 156 . 5 1 1 A 22 22 PHE CA C 22 57.415 56.910 0.505 1
1 157 . 5 1 1 A 22 22 PHE HA H 22 4.824 4.907 -0.083 1
1 158 . 5 1 1 A 22 22 PHE CB C 22 43.800 43.461 0.339 1
1 171 . 5 1 1 A 22 22 PHE C C 22 175.440 175.789 -0.349 1
1 172 . 5 1 1 A 23 23 SER N N 23 116.091 116.702 -0.611 1
1 173 . 5 1 1 A 23 23 SER H H 23 9.091 9.060 0.031 1
1 174 . 5 1 1 A 23 23 SER CA C 23 61.106 61.592 -0.486 1
1 175 . 5 1 1 A 23 23 SER HA H 23 4.681 4.523 0.158 1
1 176 . 5 1 1 A 23 23 SER CB C 23 64.301 63.520 0.781 1
1 179 . 5 1 1 A 23 23 SER C C 23 173.898 174.472 -0.574 1
1 180 . 5 1 1 A 24 24 ILE N N 24 114.094 116.742 -2.648 1
1 181 . 5 1 1 A 24 24 ILE H H 24 7.324 7.523 -0.199 1
1 182 . 5 1 1 A 24 24 ILE CA C 24 59.668 58.649 1.019 1
1 183 . 5 1 1 A 24 24 ILE HA H 24 4.710 4.780 -0.070 1
1 184 . 5 1 1 A 24 24 ILE CB C 24 41.565 40.734 0.831 1
1 197 . 5 1 1 A 24 24 ILE C C 24 176.812 175.931 0.881 1
1 198 . 5 1 1 A 25 25 SER N N 25 122.408 116.230 6.178 1
1 199 . 5 1 1 A 25 25 SER H H 25 8.516 8.485 0.031 1
1 200 . 5 1 1 A 25 25 SER CA C 25 61.632 60.818 0.814 1
1 201 . 5 1 1 A 25 25 SER HA H 25 2.913 2.963 -0.050 1
1 202 . 5 1 1 A 25 25 SER CB C 25 61.900 62.214 -0.314 1
1 205 . 5 1 1 A 25 25 SER C C 25 175.441 176.141 -0.700 1
1 206 . 5 1 1 A 26 26 SER CA C 26 60.783 61.995 -1.212 1
1 207 . 5 1 1 A 26 26 SER HA H 26 4.116 3.996 0.120 1
1 208 . 5 1 1 A 26 26 SER CB C 26 61.616 62.546 -0.930 1
1 211 . 5 1 1 A 26 26 SER C C 26 177.043 176.776 0.267 1
1 212 . 5 1 1 A 27 27 GLN N N 27 120.773 120.944 -0.171 1
1 213 . 5 1 1 A 27 27 GLN H H 27 6.969 8.035 -1.066 1
1 214 . 5 1 1 A 27 27 GLN CA C 27 57.897 58.823 -0.926 1
1 215 . 5 1 1 A 27 27 GLN HA H 27 4.039 3.783 0.256 1
1 216 . 5 1 1 A 27 27 GLN CB C 27 28.426 28.293 0.133 1
1 225 . 5 1 1 A 27 27 GLN C C 27 178.938 177.784 1.154 1
1 226 . 5 1 1 A 28 28 LEU N N 28 120.821 121.438 -0.617 1
1 227 . 5 1 1 A 28 28 LEU H H 28 6.728 7.438 -0.710 1
1 228 . 5 1 1 A 28 28 LEU CA C 28 57.617 57.513 0.104 1
1 229 . 5 1 1 A 28 28 LEU HA H 28 3.384 2.605 0.779 1
1 230 . 5 1 1 A 28 28 LEU CB C 28 40.143 41.117 -0.974 1
1 243 . 5 1 1 A 28 28 LEU C C 28 177.298 178.091 -0.793 1
1 244 . 5 1 1 A 29 29 ALA N N 29 121.094 120.435 0.659 1
1 245 . 5 1 1 A 29 29 ALA H H 29 7.783 8.228 -0.445 1
1 246 . 5 1 1 A 29 29 ALA CA C 29 55.263 55.048 0.215 1
1 247 . 5 1 1 A 29 29 ALA HA H 29 4.170 4.030 0.140 1
1 248 . 5 1 1 A 29 29 ALA CB C 29 17.736 18.460 -0.724 1
1 252 . 5 1 1 A 29 29 ALA C C 29 180.735 179.691 1.044 1
1 253 . 5 1 1 A 30 30 THR N N 30 113.821 114.417 -0.596 1
1 254 . 5 1 1 A 30 30 THR H H 30 7.746 7.808 -0.062 1
1 255 . 5 1 1 A 30 30 THR CA C 30 66.306 64.808 1.498 1
1 256 . 5 1 1 A 30 30 THR HA H 30 3.817 3.929 -0.112 1
1 257 . 5 1 1 A 30 30 THR CB C 30 68.819 68.371 0.448 1
1 263 . 5 1 1 A 30 30 THR C C 30 176.566 176.501 0.065 1
1 264 . 5 1 1 A 31 31 HIS N N 31 121.819 120.894 0.925 1
1 265 . 5 1 1 A 31 31 HIS H H 31 7.543 7.884 -0.341 1
1 266 . 5 1 1 A 31 31 HIS CA C 31 59.405 58.956 0.449 1
1 267 . 5 1 1 A 31 31 HIS HA H 31 4.166 4.202 -0.036 1
1 268 . 5 1 1 A 31 31 HIS CB C 31 28.632 30.259 -1.627 1
1 275 . 5 1 1 A 31 31 HIS C C 31 176.084 177.122 -1.038 1
1 276 . 5 1 1 A 32 32 GLN N N 32 115.014 117.757 -2.743 1
1 277 . 5 1 1 A 32 32 GLN H H 32 8.439 8.441 -0.002 1
1 278 . 5 1 1 A 32 32 GLN CA C 32 59.346 58.974 0.372 1
1 279 . 5 1 1 A 32 32 GLN HA H 32 3.717 3.809 -0.092 1
1 280 . 5 1 1 A 32 32 GLN CB C 32 28.356 28.362 -0.006 1
1 289 . 5 1 1 A 32 32 GLN C C 32 177.457 178.279 -0.822 1
1 290 . 5 1 1 A 33 33 ARG N N 33 117.225 117.789 -0.564 1
1 291 . 5 1 1 A 33 33 ARG H H 33 7.124 7.745 -0.621 1
1 292 . 5 1 1 A 33 33 ARG CA C 33 58.406 58.667 -0.261 1
1 293 . 5 1 1 A 33 33 ARG HA H 33 4.151 4.175 -0.024 1
1 294 . 5 1 1 A 33 33 ARG CB C 33 29.973 30.127 -0.154 1
1 303 . 5 1 1 A 33 33 ARG C C 33 178.610 177.685 0.925 1
1 304 . 5 1 1 A 34 34 ILE N N 34 116.430 115.810 0.620 1
1 305 . 5 1 1 A 34 34 ILE H H 34 7.824 7.788 0.036 1
1 306 . 5 1 1 A 34 34 ILE CA C 34 63.156 63.328 -0.172 1
1 307 . 5 1 1 A 34 34 ILE HA H 34 3.975 3.814 0.161 1
1 308 . 5 1 1 A 34 34 ILE CB C 34 37.697 37.208 0.489 1
1 321 . 5 1 1 A 34 34 ILE C C 34 177.432 177.377 0.055 1
1 322 . 5 1 1 A 35 35 HIS N N 35 117.622 120.328 -2.706 1
1 323 . 5 1 1 A 35 35 HIS H H 35 7.205 7.883 -0.678 1
1 324 . 5 1 1 A 35 35 HIS CA C 35 55.332 58.968 -3.636 1
1 325 . 5 1 1 A 35 35 HIS HA H 35 4.866 4.470 0.396 1
1 326 . 5 1 1 A 35 35 HIS CB C 35 28.598 30.834 -2.236 1
1 333 . 5 1 1 A 35 35 HIS C C 35 175.877 177.699 -1.822 1
1 334 . 5 1 1 A 36 36 THR N N 36 111.682 108.026 3.656 1
1 335 . 5 1 1 A 36 36 THR H H 36 7.791 7.876 -0.085 1
1 336 . 5 1 1 A 36 36 THR CA C 36 62.540 62.907 -0.367 1
1 337 . 5 1 1 A 36 36 THR HA H 36 4.366 4.188 0.178 1
1 338 . 5 1 1 A 36 36 THR CB C 36 69.869 70.239 -0.370 1
1 344 . 5 1 1 A 36 36 THR C C 36 175.490 175.418 0.072 1
1 345 . 5 1 1 A 37 37 GLY N N 37 111.018 110.632 0.386 1
1 346 . 5 1 1 A 37 37 GLY H H 37 8.462 8.352 0.110 1
1 347 . 5 1 1 A 37 37 GLY CA C 37 45.323 46.530 -1.207 1
1 348 . 5 1 1 A 37 37 GLY HA2 H 37 3.967 3.941 0.026 1
1 349 . 5 1 1 A 37 37 GLY HA3 H 37 4.042 3.954 0.088 1
1 350 . 5 1 1 A 37 37 GLY C C 37 174.068 174.411 -0.343 1
1 351 . 5 1 1 A 38 38 GLU N N 38 120.568 120.097 0.471 1
1 352 . 5 1 1 A 38 38 GLU H H 38 8.092 7.869 0.223 1
1 353 . 5 1 1 A 38 38 GLU CA C 38 56.475 55.083 1.392 1
1 354 . 5 1 1 A 38 38 GLU HA H 38 4.262 4.616 -0.354 1
1 355 . 5 1 1 A 38 38 GLU CB C 38 30.555 29.349 1.206 1
1 361 . 5 1 1 A 38 38 GLU C C 38 176.242 174.697 1.545 1
1 362 . 5 1 1 A 39 39 LYS N N 39 123.829 120.492 3.337 1
1 363 . 5 1 1 A 39 39 LYS H H 39 8.398 7.843 0.555 1
1 364 . 5 1 1 A 39 39 LYS CA C 39 54.142 53.361 0.781 1
1 365 . 5 1 1 A 39 39 LYS HA H 39 4.624 4.927 -0.303 1
1 366 . 5 1 1 A 39 39 LYS CB C 39 32.528 35.227 -2.699 1
1 378 . 5 1 1 A 40 40 PRO CA C 40 63.167 63.673 -0.506 1
1 379 . 5 1 1 A 40 40 PRO HA H 40 4.470 4.400 0.070 1
1 380 . 5 1 1 A 40 40 PRO CB C 40 32.193 31.921 0.272 1
1 389 . 5 1 1 A 40 40 PRO C C 40 177.019 176.741 0.278 1
1 390 . 5 1 1 A 41 41 SER N N 41 116.494 112.402 4.092 1
1 391 . 5 1 1 A 41 41 SER H H 41 8.475 8.021 0.454 1
1 392 . 5 1 1 A 41 41 SER CA C 41 58.355 59.503 -1.148 1
1 393 . 5 1 1 A 41 41 SER HA H 41 4.472 4.154 0.318 1
1 394 . 5 1 1 A 41 41 SER CB C 41 64.047 61.348 2.699 1
1 396 . 5 1 1 A 41 41 SER C C 41 174.761 173.303 1.458 1
1 397 . 5 1 1 A 42 42 GLY CA C 42 44.674 45.696 -1.022 1
1 398 . 5 1 1 A 42 42 GLY HA2 H 42 4.117 4.078 0.039 1
1 399 . 5 1 1 A 42 42 GLY HA3 H 42 4.175 4.078 0.097 1
1 400 . 5 1 1 A 43 43 PRO CA C 43 63.252 63.786 -0.534 1
1 401 . 5 1 1 A 43 43 PRO HA H 43 4.485 4.393 0.092 1
1 402 . 5 1 1 A 43 43 PRO CB C 43 32.259 31.897 0.362 1
1 411 . 5 1 1 A 45 45 SER CA C 45 58.354 57.551 0.803 1
1 412 . 5 1 1 A 45 45 SER HA H 45 4.511 4.715 -0.204 1
1 413 . 5 1 1 A 45 45 SER CB C 45 64.043 65.450 -1.407 1
1 416 . 5 1 1 A 45 45 SER C C 45 173.934 173.042 0.892 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.446 45.367 0.079 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 4.044 4.048 -0.004 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.517 173.249 1.268 1
1 4 . 6 1 1 A 8 8 THR N N 8 112.820 117.669 -4.849 1
1 5 . 6 1 1 A 8 8 THR H H 8 8.156 8.577 -0.421 1
1 6 . 6 1 1 A 8 8 THR CA C 8 61.841 60.830 1.011 1
1 7 . 6 1 1 A 8 8 THR HA H 8 4.387 4.637 -0.250 1
1 8 . 6 1 1 A 8 8 THR CB C 8 69.860 69.829 0.031 1
1 14 . 6 1 1 A 8 8 THR C C 8 175.270 174.256 1.014 1
1 15 . 6 1 1 A 9 9 GLY N N 9 110.629 109.257 1.372 1
1 16 . 6 1 1 A 9 9 GLY H H 9 8.224 7.418 0.806 1
1 17 . 6 1 1 A 9 9 GLY CA C 9 45.301 45.369 -0.068 1
1 18 . 6 1 1 A 9 9 GLY HA2 H 9 3.936 4.119 -0.183 1
1 19 . 6 1 1 A 9 9 GLY HA3 H 9 3.974 4.120 -0.146 1
1 20 . 6 1 1 A 10 10 GLU N N 10 120.185 117.222 2.963 1
1 21 . 6 1 1 A 10 10 GLU H H 10 8.244 8.358 -0.114 1
1 22 . 6 1 1 A 10 10 GLU CA C 10 56.913 57.604 -0.691 1
1 23 . 6 1 1 A 10 10 GLU HA H 10 4.206 4.247 -0.041 1
1 24 . 6 1 1 A 10 10 GLU CB C 10 30.432 30.498 -0.066 1
1 30 . 6 1 1 A 11 11 LYS N N 11 121.853 118.080 3.773 1
1 31 . 6 1 1 A 11 11 LYS H H 11 8.314 7.648 0.666 1
1 32 . 6 1 1 A 11 11 LYS CA C 11 53.894 53.037 0.857 1
1 33 . 6 1 1 A 11 11 LYS HA H 11 4.547 4.776 -0.229 1
1 34 . 6 1 1 A 11 11 LYS CB C 11 32.861 34.470 -1.609 1
1 45 . 6 1 1 A 11 11 LYS C C 11 174.542 176.102 -1.560 1
1 46 . 6 1 1 A 12 12 PRO CA C 12 63.480 64.426 -0.946 1
1 47 . 6 1 1 A 12 12 PRO HA H 12 4.305 4.348 -0.043 1
1 48 . 6 1 1 A 12 12 PRO CB C 12 32.288 31.892 0.396 1
1 57 . 6 1 1 A 12 12 PRO C C 12 176.266 176.294 -0.028 1
1 58 . 6 1 1 A 13 13 PHE N N 13 118.209 117.474 0.735 1
1 59 . 6 1 1 A 13 13 PHE H H 13 8.027 7.825 0.202 1
1 60 . 6 1 1 A 13 13 PHE CA C 13 57.480 56.345 1.135 1
1 61 . 6 1 1 A 13 13 PHE HA H 13 4.646 5.043 -0.397 1
1 62 . 6 1 1 A 13 13 PHE CB C 13 39.143 39.698 -0.555 1
1 75 . 6 1 1 A 13 13 PHE C C 13 174.299 174.152 0.147 1
1 76 . 6 1 1 A 14 14 GLU N N 14 124.594 125.420 -0.826 1
1 77 . 6 1 1 A 14 14 GLU H H 14 8.557 9.151 -0.594 1
1 78 . 6 1 1 A 14 14 GLU CA C 14 55.040 54.702 0.338 1
1 79 . 6 1 1 A 14 14 GLU HA H 14 4.808 5.189 -0.381 1
1 80 . 6 1 1 A 14 14 GLU CB C 14 32.995 32.551 0.444 1
1 86 . 6 1 1 A 14 14 GLU C C 14 175.064 176.146 -1.082 1
1 87 . 6 1 1 A 15 15 CYS N N 15 127.042 125.483 1.559 1
1 88 . 6 1 1 A 15 15 CYS H H 15 9.223 9.336 -0.113 1
1 89 . 6 1 1 A 15 15 CYS CA C 15 59.448 60.291 -0.843 1
1 90 . 6 1 1 A 15 15 CYS HA H 15 4.559 4.595 -0.036 1
1 91 . 6 1 1 A 15 15 CYS CB C 15 29.596 28.679 0.917 1
1 94 . 6 1 1 A 15 15 CYS C C 15 176.934 176.357 0.577 1
1 95 . 6 1 1 A 16 16 ALA N N 16 121.197 130.389 -9.192 1
1 96 . 6 1 1 A 16 16 ALA H H 16 9.386 8.936 0.450 1
1 97 . 6 1 1 A 16 16 ALA CA C 16 54.526 51.721 2.805 1
1 98 . 6 1 1 A 16 16 ALA HA H 16 4.243 4.590 -0.347 1
1 99 . 6 1 1 A 16 16 ALA CB C 16 18.918 19.151 -0.233 1
1 103 . 6 1 1 A 16 16 ALA C C 16 178.161 177.215 0.946 1
1 104 . 6 1 1 A 17 17 GLU N N 17 118.104 117.501 0.603 1
1 105 . 6 1 1 A 17 17 GLU H H 17 8.565 7.960 0.605 1
1 106 . 6 1 1 A 17 17 GLU CA C 17 58.342 57.012 1.330 1
1 107 . 6 1 1 A 17 17 GLU HA H 17 4.183 4.489 -0.306 1
1 108 . 6 1 1 A 17 17 GLU CB C 17 29.540 32.126 -2.586 1
1 114 . 6 1 1 A 17 17 GLU C C 17 177.383 177.849 -0.466 1
1 115 . 6 1 1 A 18 18 CYS N N 18 114.477 114.729 -0.252 1
1 116 . 6 1 1 A 18 18 CYS H H 18 7.922 8.095 -0.173 1
1 117 . 6 1 1 A 18 18 CYS CA C 18 58.458 59.585 -1.127 1
1 118 . 6 1 1 A 18 18 CYS HA H 18 5.191 4.667 0.524 1
1 119 . 6 1 1 A 18 18 CYS CB C 18 32.615 29.872 2.743 1
1 122 . 6 1 1 A 18 18 CYS C C 18 176.327 175.443 0.884 1
1 123 . 6 1 1 A 19 19 GLY N N 19 113.483 109.427 4.056 1
1 124 . 6 1 1 A 19 19 GLY H H 19 8.278 7.992 0.286 1
1 125 . 6 1 1 A 19 19 GLY CA C 19 46.201 45.150 1.051 1
1 126 . 6 1 1 A 19 19 GLY HA2 H 19 4.245 4.070 0.175 1
1 127 . 6 1 1 A 19 19 GLY HA3 H 19 3.885 4.077 -0.192 1
1 128 . 6 1 1 A 19 19 GLY C C 19 173.983 174.205 -0.222 1
1 129 . 6 1 1 A 20 20 LYS N N 20 122.831 121.636 1.195 1
1 130 . 6 1 1 A 20 20 LYS H H 20 7.964 7.901 0.063 1
1 131 . 6 1 1 A 20 20 LYS CA C 20 57.920 55.207 2.713 1
1 132 . 6 1 1 A 20 20 LYS HA H 20 4.054 4.511 -0.457 1
1 133 . 6 1 1 A 20 20 LYS CB C 20 33.613 34.194 -0.581 1
1 145 . 6 1 1 A 20 20 LYS C C 20 174.311 175.104 -0.793 1
1 146 . 6 1 1 A 21 21 SER N N 21 115.065 115.619 -0.554 1
1 147 . 6 1 1 A 21 21 SER H H 21 7.780 8.339 -0.559 1
1 148 . 6 1 1 A 21 21 SER CA C 21 56.653 55.397 1.256 1
1 149 . 6 1 1 A 21 21 SER HA H 21 5.311 5.419 -0.108 1
1 150 . 6 1 1 A 21 21 SER CB C 21 66.094 66.476 -0.382 1
1 153 . 6 1 1 A 21 21 SER C C 21 173.133 172.862 0.271 1
1 154 . 6 1 1 A 22 22 PHE N N 22 117.950 118.430 -0.480 1
1 155 . 6 1 1 A 22 22 PHE H H 22 8.696 8.264 0.432 1
1 156 . 6 1 1 A 22 22 PHE CA C 22 57.415 56.739 0.676 1
1 157 . 6 1 1 A 22 22 PHE HA H 22 4.824 5.013 -0.189 1
1 158 . 6 1 1 A 22 22 PHE CB C 22 43.800 44.085 -0.285 1
1 171 . 6 1 1 A 22 22 PHE C C 22 175.440 175.494 -0.054 1
1 172 . 6 1 1 A 23 23 SER N N 23 116.091 115.546 0.545 1
1 173 . 6 1 1 A 23 23 SER H H 23 9.091 9.060 0.031 1
1 174 . 6 1 1 A 23 23 SER CA C 23 61.106 61.241 -0.135 1
1 175 . 6 1 1 A 23 23 SER HA H 23 4.681 4.612 0.069 1
1 176 . 6 1 1 A 23 23 SER CB C 23 64.301 63.911 0.390 1
1 179 . 6 1 1 A 23 23 SER C C 23 173.898 174.718 -0.820 1
1 180 . 6 1 1 A 24 24 ILE N N 24 114.094 118.005 -3.911 1
1 181 . 6 1 1 A 24 24 ILE H H 24 7.324 7.610 -0.286 1
1 182 . 6 1 1 A 24 24 ILE CA C 24 59.668 58.665 1.003 1
1 183 . 6 1 1 A 24 24 ILE HA H 24 4.710 4.703 0.007 1
1 184 . 6 1 1 A 24 24 ILE CB C 24 41.565 40.785 0.780 1
1 197 . 6 1 1 A 24 24 ILE C C 24 176.812 176.657 0.155 1
1 198 . 6 1 1 A 25 25 SER N N 25 122.408 116.402 6.006 1
1 199 . 6 1 1 A 25 25 SER H H 25 8.516 8.441 0.075 1
1 200 . 6 1 1 A 25 25 SER CA C 25 61.632 60.779 0.853 1
1 201 . 6 1 1 A 25 25 SER HA H 25 2.913 2.874 0.039 1
1 202 . 6 1 1 A 25 25 SER CB C 25 61.900 61.974 -0.074 1
1 205 . 6 1 1 A 25 25 SER C C 25 175.441 176.104 -0.663 1
1 206 . 6 1 1 A 26 26 SER CA C 26 60.783 61.823 -1.040 1
1 207 . 6 1 1 A 26 26 SER HA H 26 4.116 4.020 0.096 1
1 208 . 6 1 1 A 26 26 SER CB C 26 61.616 62.765 -1.149 1
1 211 . 6 1 1 A 26 26 SER C C 26 177.043 176.770 0.273 1
1 212 . 6 1 1 A 27 27 GLN N N 27 120.773 121.091 -0.318 1
1 213 . 6 1 1 A 27 27 GLN H H 27 6.969 8.010 -1.041 1
1 214 . 6 1 1 A 27 27 GLN CA C 27 57.897 58.837 -0.940 1
1 215 . 6 1 1 A 27 27 GLN HA H 27 4.039 3.882 0.157 1
1 216 . 6 1 1 A 27 27 GLN CB C 27 28.426 28.071 0.355 1
1 225 . 6 1 1 A 27 27 GLN C C 27 178.938 178.041 0.897 1
1 226 . 6 1 1 A 28 28 LEU N N 28 120.821 121.465 -0.644 1
1 227 . 6 1 1 A 28 28 LEU H H 28 6.728 7.617 -0.889 1
1 228 . 6 1 1 A 28 28 LEU CA C 28 57.617 57.312 0.305 1
1 229 . 6 1 1 A 28 28 LEU HA H 28 3.384 2.889 0.495 1
1 230 . 6 1 1 A 28 28 LEU CB C 28 40.143 41.316 -1.173 1
1 243 . 6 1 1 A 28 28 LEU C C 28 177.298 177.979 -0.681 1
1 244 . 6 1 1 A 29 29 ALA N N 29 121.094 120.820 0.274 1
1 245 . 6 1 1 A 29 29 ALA H H 29 7.783 8.377 -0.594 1
1 246 . 6 1 1 A 29 29 ALA CA C 29 55.263 55.207 0.056 1
1 247 . 6 1 1 A 29 29 ALA HA H 29 4.170 4.004 0.166 1
1 248 . 6 1 1 A 29 29 ALA CB C 29 17.736 18.484 -0.748 1
1 252 . 6 1 1 A 29 29 ALA C C 29 180.735 180.071 0.664 1
1 253 . 6 1 1 A 30 30 THR N N 30 113.821 113.592 0.229 1
1 254 . 6 1 1 A 30 30 THR H H 30 7.746 8.009 -0.263 1
1 255 . 6 1 1 A 30 30 THR CA C 30 66.306 65.202 1.104 1
1 256 . 6 1 1 A 30 30 THR HA H 30 3.817 3.984 -0.167 1
1 257 . 6 1 1 A 30 30 THR CB C 30 68.819 68.372 0.447 1
1 263 . 6 1 1 A 30 30 THR C C 30 176.566 176.492 0.074 1
1 264 . 6 1 1 A 31 31 HIS N N 31 121.819 120.785 1.034 1
1 265 . 6 1 1 A 31 31 HIS H H 31 7.543 7.774 -0.231 1
1 266 . 6 1 1 A 31 31 HIS CA C 31 59.405 58.932 0.473 1
1 267 . 6 1 1 A 31 31 HIS HA H 31 4.166 4.179 -0.013 1
1 268 . 6 1 1 A 31 31 HIS CB C 31 28.632 30.156 -1.524 1
1 275 . 6 1 1 A 31 31 HIS C C 31 176.084 176.944 -0.860 1
1 276 . 6 1 1 A 32 32 GLN N N 32 115.014 117.675 -2.661 1
1 277 . 6 1 1 A 32 32 GLN H H 32 8.439 8.528 -0.089 1
1 278 . 6 1 1 A 32 32 GLN CA C 32 59.346 59.110 0.236 1
1 279 . 6 1 1 A 32 32 GLN HA H 32 3.717 3.693 0.024 1
1 280 . 6 1 1 A 32 32 GLN CB C 32 28.356 28.375 -0.019 1
1 289 . 6 1 1 A 32 32 GLN C C 32 177.457 178.255 -0.798 1
1 290 . 6 1 1 A 33 33 ARG N N 33 117.225 117.861 -0.636 1
1 291 . 6 1 1 A 33 33 ARG H H 33 7.124 7.774 -0.650 1
1 292 . 6 1 1 A 33 33 ARG CA C 33 58.406 58.677 -0.271 1
1 293 . 6 1 1 A 33 33 ARG HA H 33 4.151 4.035 0.116 1
1 294 . 6 1 1 A 33 33 ARG CB C 33 29.973 30.019 -0.046 1
1 303 . 6 1 1 A 33 33 ARG C C 33 178.610 177.729 0.881 1
1 304 . 6 1 1 A 34 34 ILE N N 34 116.430 115.610 0.820 1
1 305 . 6 1 1 A 34 34 ILE H H 34 7.824 7.859 -0.035 1
1 306 . 6 1 1 A 34 34 ILE CA C 34 63.156 63.650 -0.494 1
1 307 . 6 1 1 A 34 34 ILE HA H 34 3.975 3.735 0.240 1
1 308 . 6 1 1 A 34 34 ILE CB C 34 37.697 37.089 0.608 1
1 321 . 6 1 1 A 34 34 ILE C C 34 177.432 177.642 -0.210 1
1 322 . 6 1 1 A 35 35 HIS N N 35 117.622 119.432 -1.810 1
1 323 . 6 1 1 A 35 35 HIS H H 35 7.205 7.689 -0.484 1
1 324 . 6 1 1 A 35 35 HIS CA C 35 55.332 58.403 -3.071 1
1 325 . 6 1 1 A 35 35 HIS HA H 35 4.866 4.368 0.498 1
1 326 . 6 1 1 A 35 35 HIS CB C 35 28.598 31.185 -2.587 1
1 333 . 6 1 1 A 35 35 HIS C C 35 175.877 175.121 0.756 1
1 334 . 6 1 1 A 36 36 THR N N 36 111.682 113.095 -1.413 1
1 335 . 6 1 1 A 36 36 THR H H 36 7.791 7.725 0.066 1
1 336 . 6 1 1 A 36 36 THR CA C 36 62.540 60.921 1.619 1
1 337 . 6 1 1 A 36 36 THR HA H 36 4.366 4.550 -0.184 1
1 338 . 6 1 1 A 36 36 THR CB C 36 69.869 70.974 -1.105 1
1 344 . 6 1 1 A 36 36 THR C C 36 175.490 174.248 1.242 1
1 345 . 6 1 1 A 37 37 GLY N N 37 111.018 113.636 -2.618 1
1 346 . 6 1 1 A 37 37 GLY H H 37 8.462 8.128 0.334 1
1 347 . 6 1 1 A 37 37 GLY CA C 37 45.323 45.417 -0.094 1
1 348 . 6 1 1 A 37 37 GLY HA2 H 37 3.967 4.128 -0.161 1
1 349 . 6 1 1 A 37 37 GLY HA3 H 37 4.042 4.130 -0.088 1
1 350 . 6 1 1 A 37 37 GLY C C 37 174.068 172.049 2.019 1
1 351 . 6 1 1 A 38 38 GLU N N 38 120.568 124.878 -4.310 1
1 352 . 6 1 1 A 38 38 GLU H H 38 8.092 8.531 -0.439 1
1 353 . 6 1 1 A 38 38 GLU CA C 38 56.475 55.098 1.377 1
1 354 . 6 1 1 A 38 38 GLU HA H 38 4.262 4.990 -0.728 1
1 355 . 6 1 1 A 38 38 GLU CB C 38 30.555 33.303 -2.748 1
1 361 . 6 1 1 A 38 38 GLU C C 38 176.242 174.548 1.694 1
1 362 . 6 1 1 A 39 39 LYS N N 39 123.829 124.903 -1.074 1
1 363 . 6 1 1 A 39 39 LYS H H 39 8.398 8.490 -0.092 1
1 364 . 6 1 1 A 39 39 LYS CA C 39 54.142 54.275 -0.133 1
1 365 . 6 1 1 A 39 39 LYS HA H 39 4.624 4.630 -0.006 1
1 366 . 6 1 1 A 39 39 LYS CB C 39 32.528 36.322 -3.794 1
1 378 . 6 1 1 A 40 40 PRO CA C 40 63.167 62.335 0.832 1
1 379 . 6 1 1 A 40 40 PRO HA H 40 4.470 4.709 -0.239 1
1 380 . 6 1 1 A 40 40 PRO CB C 40 32.193 29.809 2.384 1
1 389 . 6 1 1 A 40 40 PRO C C 40 177.019 175.961 1.058 1
1 390 . 6 1 1 A 41 41 SER N N 41 116.494 115.410 1.084 1
1 391 . 6 1 1 A 41 41 SER H H 41 8.475 8.208 0.267 1
1 392 . 6 1 1 A 41 41 SER CA C 41 58.355 57.499 0.856 1
1 393 . 6 1 1 A 41 41 SER HA H 41 4.472 4.962 -0.490 1
1 394 . 6 1 1 A 41 41 SER CB C 41 64.047 64.426 -0.379 1
1 396 . 6 1 1 A 41 41 SER C C 41 174.761 174.867 -0.106 1
1 397 . 6 1 1 A 42 42 GLY CA C 42 44.674 44.892 -0.218 1
1 398 . 6 1 1 A 42 42 GLY HA2 H 42 4.117 4.048 0.069 1
1 399 . 6 1 1 A 42 42 GLY HA3 H 42 4.175 4.048 0.127 1
1 400 . 6 1 1 A 43 43 PRO CA C 43 63.252 63.916 -0.664 1
1 401 . 6 1 1 A 43 43 PRO HA H 43 4.485 4.536 -0.051 1
1 402 . 6 1 1 A 43 43 PRO CB C 43 32.259 32.046 0.213 1
1 411 . 6 1 1 A 45 45 SER CA C 45 58.354 59.081 -0.727 1
1 412 . 6 1 1 A 45 45 SER HA H 45 4.511 4.446 0.065 1
1 413 . 6 1 1 A 45 45 SER CB C 45 64.043 63.382 0.661 1
1 416 . 6 1 1 A 45 45 SER C C 45 173.934 175.329 -1.395 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.446 46.709 -1.263 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 4.044 4.020 0.024 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.517 173.535 0.982 1
1 4 . 7 1 1 A 8 8 THR N N 8 112.820 114.242 -1.422 1
1 5 . 7 1 1 A 8 8 THR H H 8 8.156 8.348 -0.192 1
1 6 . 7 1 1 A 8 8 THR CA C 8 61.841 60.789 1.052 1
1 7 . 7 1 1 A 8 8 THR HA H 8 4.387 4.664 -0.277 1
1 8 . 7 1 1 A 8 8 THR CB C 8 69.860 68.692 1.168 1
1 14 . 7 1 1 A 8 8 THR C C 8 175.270 174.715 0.555 1
1 15 . 7 1 1 A 9 9 GLY N N 9 110.629 113.206 -2.577 1
1 16 . 7 1 1 A 9 9 GLY H H 9 8.224 8.799 -0.575 1
1 17 . 7 1 1 A 9 9 GLY CA C 9 45.301 46.969 -1.668 1
1 18 . 7 1 1 A 9 9 GLY HA2 H 9 3.936 3.872 0.064 1
1 19 . 7 1 1 A 9 9 GLY HA3 H 9 3.974 3.874 0.100 1
1 20 . 7 1 1 A 10 10 GLU N N 10 120.185 118.876 1.309 1
1 21 . 7 1 1 A 10 10 GLU H H 10 8.244 8.057 0.187 1
1 22 . 7 1 1 A 10 10 GLU CA C 10 56.913 56.128 0.785 1
1 23 . 7 1 1 A 10 10 GLU HA H 10 4.206 4.376 -0.170 1
1 24 . 7 1 1 A 10 10 GLU CB C 10 30.432 31.215 -0.783 1
1 30 . 7 1 1 A 11 11 LYS N N 11 121.853 121.327 0.526 1
1 31 . 7 1 1 A 11 11 LYS H H 11 8.314 8.697 -0.383 1
1 32 . 7 1 1 A 11 11 LYS CA C 11 53.894 54.235 -0.341 1
1 33 . 7 1 1 A 11 11 LYS HA H 11 4.547 4.544 0.003 1
1 34 . 7 1 1 A 11 11 LYS CB C 11 32.861 31.884 0.977 1
1 45 . 7 1 1 A 11 11 LYS C C 11 174.542 176.456 -1.914 1
1 46 . 7 1 1 A 12 12 PRO CA C 12 63.480 63.992 -0.512 1
1 47 . 7 1 1 A 12 12 PRO HA H 12 4.305 4.260 0.045 1
1 48 . 7 1 1 A 12 12 PRO CB C 12 32.288 31.355 0.933 1
1 57 . 7 1 1 A 12 12 PRO C C 12 176.266 175.946 0.320 1
1 58 . 7 1 1 A 13 13 PHE N N 13 118.209 118.271 -0.062 1
1 59 . 7 1 1 A 13 13 PHE H H 13 8.027 7.593 0.434 1
1 60 . 7 1 1 A 13 13 PHE CA C 13 57.480 56.447 1.033 1
1 61 . 7 1 1 A 13 13 PHE HA H 13 4.646 5.158 -0.512 1
1 62 . 7 1 1 A 13 13 PHE CB C 13 39.143 41.201 -2.058 1
1 75 . 7 1 1 A 13 13 PHE C C 13 174.299 174.119 0.180 1
1 76 . 7 1 1 A 14 14 GLU N N 14 124.594 124.892 -0.298 1
1 77 . 7 1 1 A 14 14 GLU H H 14 8.557 9.015 -0.458 1
1 78 . 7 1 1 A 14 14 GLU CA C 14 55.040 54.905 0.135 1
1 79 . 7 1 1 A 14 14 GLU HA H 14 4.808 5.312 -0.504 1
1 80 . 7 1 1 A 14 14 GLU CB C 14 32.995 33.325 -0.330 1
1 86 . 7 1 1 A 14 14 GLU C C 14 175.064 175.501 -0.437 1
1 87 . 7 1 1 A 15 15 CYS N N 15 127.042 125.496 1.546 1
1 88 . 7 1 1 A 15 15 CYS H H 15 9.223 9.428 -0.205 1
1 89 . 7 1 1 A 15 15 CYS CA C 15 59.448 60.302 -0.854 1
1 90 . 7 1 1 A 15 15 CYS HA H 15 4.559 4.394 0.165 1
1 91 . 7 1 1 A 15 15 CYS CB C 15 29.596 28.834 0.762 1
1 94 . 7 1 1 A 15 15 CYS C C 15 176.934 176.364 0.570 1
1 95 . 7 1 1 A 16 16 ALA N N 16 121.197 130.024 -8.827 1
1 96 . 7 1 1 A 16 16 ALA H H 16 9.386 8.815 0.571 1
1 97 . 7 1 1 A 16 16 ALA CA C 16 54.526 51.666 2.860 1
1 98 . 7 1 1 A 16 16 ALA HA H 16 4.243 4.599 -0.356 1
1 99 . 7 1 1 A 16 16 ALA CB C 16 18.918 19.146 -0.228 1
1 103 . 7 1 1 A 16 16 ALA C C 16 178.161 177.234 0.927 1
1 104 . 7 1 1 A 17 17 GLU N N 17 118.104 117.597 0.507 1
1 105 . 7 1 1 A 17 17 GLU H H 17 8.565 7.899 0.666 1
1 106 . 7 1 1 A 17 17 GLU CA C 17 58.342 57.162 1.180 1
1 107 . 7 1 1 A 17 17 GLU HA H 17 4.183 4.468 -0.285 1
1 108 . 7 1 1 A 17 17 GLU CB C 17 29.540 31.402 -1.862 1
1 114 . 7 1 1 A 17 17 GLU C C 17 177.383 177.840 -0.457 1
1 115 . 7 1 1 A 18 18 CYS N N 18 114.477 114.816 -0.339 1
1 116 . 7 1 1 A 18 18 CYS H H 18 7.922 8.120 -0.198 1
1 117 . 7 1 1 A 18 18 CYS CA C 18 58.458 59.861 -1.403 1
1 118 . 7 1 1 A 18 18 CYS HA H 18 5.191 4.717 0.474 1
1 119 . 7 1 1 A 18 18 CYS CB C 18 32.615 29.551 3.064 1
1 122 . 7 1 1 A 18 18 CYS C C 18 176.327 175.355 0.972 1
1 123 . 7 1 1 A 19 19 GLY N N 19 113.483 109.764 3.719 1
1 124 . 7 1 1 A 19 19 GLY H H 19 8.278 7.957 0.321 1
1 125 . 7 1 1 A 19 19 GLY CA C 19 46.201 45.324 0.877 1
1 126 . 7 1 1 A 19 19 GLY HA2 H 19 4.245 4.078 0.167 1
1 127 . 7 1 1 A 19 19 GLY HA3 H 19 3.885 4.078 -0.193 1
1 128 . 7 1 1 A 19 19 GLY C C 19 173.983 174.182 -0.199 1
1 129 . 7 1 1 A 20 20 LYS N N 20 122.831 121.276 1.555 1
1 130 . 7 1 1 A 20 20 LYS H H 20 7.964 7.761 0.203 1
1 131 . 7 1 1 A 20 20 LYS CA C 20 57.920 54.711 3.209 1
1 132 . 7 1 1 A 20 20 LYS HA H 20 4.054 4.581 -0.527 1
1 133 . 7 1 1 A 20 20 LYS CB C 20 33.613 34.847 -1.234 1
1 145 . 7 1 1 A 20 20 LYS C C 20 174.311 175.214 -0.903 1
1 146 . 7 1 1 A 21 21 SER N N 21 115.065 118.611 -3.546 1
1 147 . 7 1 1 A 21 21 SER H H 21 7.780 8.631 -0.851 1
1 148 . 7 1 1 A 21 21 SER CA C 21 56.653 55.841 0.812 1
1 149 . 7 1 1 A 21 21 SER HA H 21 5.311 5.542 -0.231 1
1 150 . 7 1 1 A 21 21 SER CB C 21 66.094 66.045 0.049 1
1 153 . 7 1 1 A 21 21 SER C C 21 173.133 173.234 -0.101 1
1 154 . 7 1 1 A 22 22 PHE N N 22 117.950 118.878 -0.928 1
1 155 . 7 1 1 A 22 22 PHE H H 22 8.696 9.039 -0.343 1
1 156 . 7 1 1 A 22 22 PHE CA C 22 57.415 56.672 0.743 1
1 157 . 7 1 1 A 22 22 PHE HA H 22 4.824 4.948 -0.124 1
1 158 . 7 1 1 A 22 22 PHE CB C 22 43.800 43.837 -0.037 1
1 171 . 7 1 1 A 22 22 PHE C C 22 175.440 175.651 -0.211 1
1 172 . 7 1 1 A 23 23 SER N N 23 116.091 115.562 0.529 1
1 173 . 7 1 1 A 23 23 SER H H 23 9.091 9.012 0.079 1
1 174 . 7 1 1 A 23 23 SER CA C 23 61.106 60.764 0.342 1
1 175 . 7 1 1 A 23 23 SER HA H 23 4.681 4.671 0.010 1
1 176 . 7 1 1 A 23 23 SER CB C 23 64.301 64.123 0.178 1
1 179 . 7 1 1 A 23 23 SER C C 23 173.898 174.599 -0.701 1
1 180 . 7 1 1 A 24 24 ILE N N 24 114.094 118.531 -4.437 1
1 181 . 7 1 1 A 24 24 ILE H H 24 7.324 7.639 -0.315 1
1 182 . 7 1 1 A 24 24 ILE CA C 24 59.668 58.690 0.978 1
1 183 . 7 1 1 A 24 24 ILE HA H 24 4.710 4.490 0.220 1
1 184 . 7 1 1 A 24 24 ILE CB C 24 41.565 40.681 0.884 1
1 197 . 7 1 1 A 24 24 ILE C C 24 176.812 176.206 0.606 1
1 198 . 7 1 1 A 25 25 SER N N 25 122.408 117.763 4.645 1
1 199 . 7 1 1 A 25 25 SER H H 25 8.516 8.613 -0.097 1
1 200 . 7 1 1 A 25 25 SER CA C 25 61.632 60.834 0.798 1
1 201 . 7 1 1 A 25 25 SER HA H 25 2.913 3.117 -0.204 1
1 202 . 7 1 1 A 25 25 SER CB C 25 61.900 62.505 -0.605 1
1 205 . 7 1 1 A 25 25 SER C C 25 175.441 176.331 -0.890 1
1 206 . 7 1 1 A 26 26 SER CA C 26 60.783 61.612 -0.829 1
1 207 . 7 1 1 A 26 26 SER HA H 26 4.116 3.966 0.150 1
1 208 . 7 1 1 A 26 26 SER CB C 26 61.616 62.935 -1.319 1
1 211 . 7 1 1 A 26 26 SER C C 26 177.043 177.161 -0.118 1
1 212 . 7 1 1 A 27 27 GLN N N 27 120.773 120.776 -0.003 1
1 213 . 7 1 1 A 27 27 GLN H H 27 6.969 8.149 -1.180 1
1 214 . 7 1 1 A 27 27 GLN CA C 27 57.897 59.068 -1.171 1
1 215 . 7 1 1 A 27 27 GLN HA H 27 4.039 3.892 0.147 1
1 216 . 7 1 1 A 27 27 GLN CB C 27 28.426 28.440 -0.014 1
1 225 . 7 1 1 A 27 27 GLN C C 27 178.938 178.004 0.934 1
1 226 . 7 1 1 A 28 28 LEU N N 28 120.821 121.528 -0.707 1
1 227 . 7 1 1 A 28 28 LEU H H 28 6.728 7.315 -0.587 1
1 228 . 7 1 1 A 28 28 LEU CA C 28 57.617 57.576 0.041 1
1 229 . 7 1 1 A 28 28 LEU HA H 28 3.384 2.396 0.988 1
1 230 . 7 1 1 A 28 28 LEU CB C 28 40.143 41.148 -1.005 1
1 243 . 7 1 1 A 28 28 LEU C C 28 177.298 177.935 -0.637 1
1 244 . 7 1 1 A 29 29 ALA N N 29 121.094 120.194 0.900 1
1 245 . 7 1 1 A 29 29 ALA H H 29 7.783 8.322 -0.539 1
1 246 . 7 1 1 A 29 29 ALA CA C 29 55.263 55.297 -0.034 1
1 247 . 7 1 1 A 29 29 ALA HA H 29 4.170 4.001 0.169 1
1 248 . 7 1 1 A 29 29 ALA CB C 29 17.736 18.576 -0.840 1
1 252 . 7 1 1 A 29 29 ALA C C 29 180.735 179.808 0.927 1
1 253 . 7 1 1 A 30 30 THR N N 30 113.821 114.411 -0.590 1
1 254 . 7 1 1 A 30 30 THR H H 30 7.746 8.266 -0.520 1
1 255 . 7 1 1 A 30 30 THR CA C 30 66.306 64.912 1.394 1
1 256 . 7 1 1 A 30 30 THR HA H 30 3.817 4.005 -0.188 1
1 257 . 7 1 1 A 30 30 THR CB C 30 68.819 68.495 0.324 1
1 263 . 7 1 1 A 30 30 THR C C 30 176.566 176.403 0.163 1
1 264 . 7 1 1 A 31 31 HIS N N 31 121.819 121.064 0.755 1
1 265 . 7 1 1 A 31 31 HIS H H 31 7.543 8.020 -0.477 1
1 266 . 7 1 1 A 31 31 HIS CA C 31 59.405 58.950 0.455 1
1 267 . 7 1 1 A 31 31 HIS HA H 31 4.166 4.274 -0.108 1
1 268 . 7 1 1 A 31 31 HIS CB C 31 28.632 30.161 -1.529 1
1 275 . 7 1 1 A 31 31 HIS C C 31 176.084 177.241 -1.157 1
1 276 . 7 1 1 A 32 32 GLN N N 32 115.014 118.550 -3.536 1
1 277 . 7 1 1 A 32 32 GLN H H 32 8.439 8.656 -0.217 1
1 278 . 7 1 1 A 32 32 GLN CA C 32 59.346 59.124 0.222 1
1 279 . 7 1 1 A 32 32 GLN HA H 32 3.717 4.111 -0.394 1
1 280 . 7 1 1 A 32 32 GLN CB C 32 28.356 28.382 -0.026 1
1 289 . 7 1 1 A 32 32 GLN C C 32 177.457 178.688 -1.231 1
1 290 . 7 1 1 A 33 33 ARG N N 33 117.225 118.101 -0.876 1
1 291 . 7 1 1 A 33 33 ARG H H 33 7.124 7.754 -0.630 1
1 292 . 7 1 1 A 33 33 ARG CA C 33 58.406 58.666 -0.260 1
1 293 . 7 1 1 A 33 33 ARG HA H 33 4.151 4.349 -0.198 1
1 294 . 7 1 1 A 33 33 ARG CB C 33 29.973 30.227 -0.254 1
1 303 . 7 1 1 A 33 33 ARG C C 33 178.610 177.859 0.751 1
1 304 . 7 1 1 A 34 34 ILE N N 34 116.430 116.202 0.228 1
1 305 . 7 1 1 A 34 34 ILE H H 34 7.824 7.742 0.082 1
1 306 . 7 1 1 A 34 34 ILE CA C 34 63.156 64.228 -1.072 1
1 307 . 7 1 1 A 34 34 ILE HA H 34 3.975 3.737 0.238 1
1 308 . 7 1 1 A 34 34 ILE CB C 34 37.697 37.276 0.421 1
1 321 . 7 1 1 A 34 34 ILE C C 34 177.432 177.527 -0.095 1
1 322 . 7 1 1 A 35 35 HIS N N 35 117.622 120.390 -2.768 1
1 323 . 7 1 1 A 35 35 HIS H H 35 7.205 7.661 -0.456 1
1 324 . 7 1 1 A 35 35 HIS CA C 35 55.332 59.560 -4.228 1
1 325 . 7 1 1 A 35 35 HIS HA H 35 4.866 4.349 0.517 1
1 326 . 7 1 1 A 35 35 HIS CB C 35 28.598 31.106 -2.508 1
1 333 . 7 1 1 A 35 35 HIS C C 35 175.877 176.076 -0.199 1
1 334 . 7 1 1 A 36 36 THR N N 36 111.682 106.798 4.884 1
1 335 . 7 1 1 A 36 36 THR H H 36 7.791 7.378 0.413 1
1 336 . 7 1 1 A 36 36 THR CA C 36 62.540 61.023 1.517 1
1 337 . 7 1 1 A 36 36 THR HA H 36 4.366 4.389 -0.023 1
1 338 . 7 1 1 A 36 36 THR CB C 36 69.869 68.538 1.331 1
1 344 . 7 1 1 A 36 36 THR C C 36 175.490 174.688 0.802 1
1 345 . 7 1 1 A 37 37 GLY N N 37 111.018 111.128 -0.110 1
1 346 . 7 1 1 A 37 37 GLY H H 37 8.462 8.220 0.242 1
1 347 . 7 1 1 A 37 37 GLY CA C 37 45.323 44.311 1.012 1
1 348 . 7 1 1 A 37 37 GLY HA2 H 37 3.967 4.101 -0.134 1
1 349 . 7 1 1 A 37 37 GLY HA3 H 37 4.042 4.112 -0.070 1
1 350 . 7 1 1 A 37 37 GLY C C 37 174.068 172.500 1.568 1
1 351 . 7 1 1 A 38 38 GLU N N 38 120.568 121.754 -1.186 1
1 352 . 7 1 1 A 38 38 GLU H H 38 8.092 8.501 -0.409 1
1 353 . 7 1 1 A 38 38 GLU CA C 38 56.475 55.373 1.102 1
1 354 . 7 1 1 A 38 38 GLU HA H 38 4.262 4.586 -0.324 1
1 355 . 7 1 1 A 38 38 GLU CB C 38 30.555 29.901 0.654 1
1 361 . 7 1 1 A 38 38 GLU C C 38 176.242 174.790 1.452 1
1 362 . 7 1 1 A 39 39 LYS N N 39 123.829 121.999 1.830 1
1 363 . 7 1 1 A 39 39 LYS H H 39 8.398 8.360 0.038 1
1 364 . 7 1 1 A 39 39 LYS CA C 39 54.142 54.069 0.073 1
1 365 . 7 1 1 A 39 39 LYS HA H 39 4.624 4.954 -0.330 1
1 366 . 7 1 1 A 39 39 LYS CB C 39 32.528 35.667 -3.139 1
1 378 . 7 1 1 A 40 40 PRO CA C 40 63.167 62.475 0.692 1
1 379 . 7 1 1 A 40 40 PRO HA H 40 4.470 4.753 -0.283 1
1 380 . 7 1 1 A 40 40 PRO CB C 40 32.193 30.232 1.961 1
1 389 . 7 1 1 A 40 40 PRO C C 40 177.019 175.201 1.818 1
1 390 . 7 1 1 A 41 41 SER N N 41 116.494 118.642 -2.148 1
1 391 . 7 1 1 A 41 41 SER H H 41 8.475 8.474 0.001 1
1 392 . 7 1 1 A 41 41 SER CA C 41 58.355 56.533 1.822 1
1 393 . 7 1 1 A 41 41 SER HA H 41 4.472 4.955 -0.483 1
1 394 . 7 1 1 A 41 41 SER CB C 41 64.047 65.851 -1.804 1
1 396 . 7 1 1 A 41 41 SER C C 41 174.761 173.668 1.093 1
1 397 . 7 1 1 A 42 42 GLY CA C 42 44.674 47.036 -2.362 1
1 398 . 7 1 1 A 42 42 GLY HA2 H 42 4.117 3.878 0.239 1
1 399 . 7 1 1 A 42 42 GLY HA3 H 42 4.175 3.882 0.293 1
1 400 . 7 1 1 A 43 43 PRO CA C 43 63.252 65.141 -1.889 1
1 401 . 7 1 1 A 43 43 PRO HA H 43 4.485 4.319 0.166 1
1 402 . 7 1 1 A 43 43 PRO CB C 43 32.259 31.584 0.675 1
1 411 . 7 1 1 A 45 45 SER CA C 45 58.354 56.913 1.441 1
1 412 . 7 1 1 A 45 45 SER HA H 45 4.511 4.766 -0.255 1
1 413 . 7 1 1 A 45 45 SER CB C 45 64.043 63.088 0.955 1
1 416 . 7 1 1 A 45 45 SER C C 45 173.934 174.136 -0.202 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.446 46.069 -0.623 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 4.044 4.106 -0.062 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.517 174.777 -0.260 1
1 4 . 8 1 1 A 8 8 THR N N 8 112.820 112.535 0.285 1
1 5 . 8 1 1 A 8 8 THR H H 8 8.156 8.173 -0.017 1
1 6 . 8 1 1 A 8 8 THR CA C 8 61.841 62.310 -0.469 1
1 7 . 8 1 1 A 8 8 THR HA H 8 4.387 4.573 -0.186 1
1 8 . 8 1 1 A 8 8 THR CB C 8 69.860 70.453 -0.593 1
1 14 . 8 1 1 A 8 8 THR C C 8 175.270 174.511 0.759 1
1 15 . 8 1 1 A 9 9 GLY N N 9 110.629 109.823 0.806 1
1 16 . 8 1 1 A 9 9 GLY H H 9 8.224 7.713 0.511 1
1 17 . 8 1 1 A 9 9 GLY CA C 9 45.301 44.600 0.701 1
1 18 . 8 1 1 A 9 9 GLY HA2 H 9 3.936 4.017 -0.081 1
1 19 . 8 1 1 A 9 9 GLY HA3 H 9 3.974 4.021 -0.047 1
1 20 . 8 1 1 A 10 10 GLU N N 10 120.185 119.730 0.455 1
1 21 . 8 1 1 A 10 10 GLU H H 10 8.244 8.782 -0.538 1
1 22 . 8 1 1 A 10 10 GLU CA C 10 56.913 54.668 2.245 1
1 23 . 8 1 1 A 10 10 GLU HA H 10 4.206 5.046 -0.840 1
1 24 . 8 1 1 A 10 10 GLU CB C 10 30.432 32.754 -2.322 1
1 30 . 8 1 1 A 11 11 LYS N N 11 121.853 123.083 -1.230 1
1 31 . 8 1 1 A 11 11 LYS H H 11 8.314 8.592 -0.278 1
1 32 . 8 1 1 A 11 11 LYS CA C 11 53.894 52.967 0.927 1
1 33 . 8 1 1 A 11 11 LYS HA H 11 4.547 4.782 -0.235 1
1 34 . 8 1 1 A 11 11 LYS CB C 11 32.861 34.020 -1.159 1
1 45 . 8 1 1 A 11 11 LYS C C 11 174.542 176.112 -1.570 1
1 46 . 8 1 1 A 12 12 PRO CA C 12 63.480 64.317 -0.837 1
1 47 . 8 1 1 A 12 12 PRO HA H 12 4.305 4.312 -0.007 1
1 48 . 8 1 1 A 12 12 PRO CB C 12 32.288 31.487 0.801 1
1 57 . 8 1 1 A 12 12 PRO C C 12 176.266 176.160 0.106 1
1 58 . 8 1 1 A 13 13 PHE N N 13 118.209 117.914 0.295 1
1 59 . 8 1 1 A 13 13 PHE H H 13 8.027 7.706 0.321 1
1 60 . 8 1 1 A 13 13 PHE CA C 13 57.480 56.467 1.013 1
1 61 . 8 1 1 A 13 13 PHE HA H 13 4.646 5.060 -0.414 1
1 62 . 8 1 1 A 13 13 PHE CB C 13 39.143 40.020 -0.877 1
1 75 . 8 1 1 A 13 13 PHE C C 13 174.299 174.533 -0.234 1
1 76 . 8 1 1 A 14 14 GLU N N 14 124.594 123.364 1.230 1
1 77 . 8 1 1 A 14 14 GLU H H 14 8.557 8.986 -0.429 1
1 78 . 8 1 1 A 14 14 GLU CA C 14 55.040 54.652 0.388 1
1 79 . 8 1 1 A 14 14 GLU HA H 14 4.808 5.032 -0.224 1
1 80 . 8 1 1 A 14 14 GLU CB C 14 32.995 33.256 -0.261 1
1 86 . 8 1 1 A 14 14 GLU C C 14 175.064 175.084 -0.020 1
1 87 . 8 1 1 A 15 15 CYS N N 15 127.042 123.326 3.716 1
1 88 . 8 1 1 A 15 15 CYS H H 15 9.223 9.261 -0.038 1
1 89 . 8 1 1 A 15 15 CYS CA C 15 59.448 58.353 1.095 1
1 90 . 8 1 1 A 15 15 CYS HA H 15 4.559 4.892 -0.333 1
1 91 . 8 1 1 A 15 15 CYS CB C 15 29.596 29.017 0.579 1
1 94 . 8 1 1 A 15 15 CYS C C 15 176.934 176.177 0.757 1
1 95 . 8 1 1 A 16 16 ALA N N 16 121.197 130.498 -9.301 1
1 96 . 8 1 1 A 16 16 ALA H H 16 9.386 8.877 0.509 1
1 97 . 8 1 1 A 16 16 ALA CA C 16 54.526 51.709 2.817 1
1 98 . 8 1 1 A 16 16 ALA HA H 16 4.243 4.619 -0.376 1
1 99 . 8 1 1 A 16 16 ALA CB C 16 18.918 19.075 -0.157 1
1 103 . 8 1 1 A 16 16 ALA C C 16 178.161 176.881 1.280 1
1 104 . 8 1 1 A 17 17 GLU N N 17 118.104 117.622 0.482 1
1 105 . 8 1 1 A 17 17 GLU H H 17 8.565 8.041 0.524 1
1 106 . 8 1 1 A 17 17 GLU CA C 17 58.342 57.367 0.975 1
1 107 . 8 1 1 A 17 17 GLU HA H 17 4.183 4.469 -0.286 1
1 108 . 8 1 1 A 17 17 GLU CB C 17 29.540 31.467 -1.927 1
1 114 . 8 1 1 A 17 17 GLU C C 17 177.383 178.119 -0.736 1
1 115 . 8 1 1 A 18 18 CYS N N 18 114.477 115.024 -0.547 1
1 116 . 8 1 1 A 18 18 CYS H H 18 7.922 8.045 -0.123 1
1 117 . 8 1 1 A 18 18 CYS CA C 18 58.458 59.964 -1.506 1
1 118 . 8 1 1 A 18 18 CYS HA H 18 5.191 4.512 0.679 1
1 119 . 8 1 1 A 18 18 CYS CB C 18 32.615 29.190 3.425 1
1 122 . 8 1 1 A 18 18 CYS C C 18 176.327 175.145 1.182 1
1 123 . 8 1 1 A 19 19 GLY N N 19 113.483 109.691 3.792 1
1 124 . 8 1 1 A 19 19 GLY H H 19 8.278 7.994 0.284 1
1 125 . 8 1 1 A 19 19 GLY CA C 19 46.201 45.252 0.949 1
1 126 . 8 1 1 A 19 19 GLY HA2 H 19 4.245 4.055 0.190 1
1 127 . 8 1 1 A 19 19 GLY HA3 H 19 3.885 4.055 -0.170 1
1 128 . 8 1 1 A 19 19 GLY C C 19 173.983 173.944 0.039 1
1 129 . 8 1 1 A 20 20 LYS N N 20 122.831 119.511 3.320 1
1 130 . 8 1 1 A 20 20 LYS H H 20 7.964 7.716 0.248 1
1 131 . 8 1 1 A 20 20 LYS CA C 20 57.920 54.002 3.918 1
1 132 . 8 1 1 A 20 20 LYS HA H 20 4.054 4.756 -0.702 1
1 133 . 8 1 1 A 20 20 LYS CB C 20 33.613 35.176 -1.563 1
1 145 . 8 1 1 A 20 20 LYS C C 20 174.311 175.159 -0.848 1
1 146 . 8 1 1 A 21 21 SER N N 21 115.065 115.551 -0.486 1
1 147 . 8 1 1 A 21 21 SER H H 21 7.780 8.346 -0.566 1
1 148 . 8 1 1 A 21 21 SER CA C 21 56.653 56.812 -0.159 1
1 149 . 8 1 1 A 21 21 SER HA H 21 5.311 5.256 0.055 1
1 150 . 8 1 1 A 21 21 SER CB C 21 66.094 66.322 -0.228 1
1 153 . 8 1 1 A 21 21 SER C C 21 173.133 172.581 0.552 1
1 154 . 8 1 1 A 22 22 PHE N N 22 117.950 120.248 -2.298 1
1 155 . 8 1 1 A 22 22 PHE H H 22 8.696 8.306 0.390 1
1 156 . 8 1 1 A 22 22 PHE CA C 22 57.415 56.729 0.686 1
1 157 . 8 1 1 A 22 22 PHE HA H 22 4.824 4.941 -0.117 1
1 158 . 8 1 1 A 22 22 PHE CB C 22 43.800 43.628 0.172 1
1 171 . 8 1 1 A 22 22 PHE C C 22 175.440 175.719 -0.279 1
1 172 . 8 1 1 A 23 23 SER N N 23 116.091 115.383 0.708 1
1 173 . 8 1 1 A 23 23 SER H H 23 9.091 8.972 0.119 1
1 174 . 8 1 1 A 23 23 SER CA C 23 61.106 60.922 0.184 1
1 175 . 8 1 1 A 23 23 SER HA H 23 4.681 4.595 0.086 1
1 176 . 8 1 1 A 23 23 SER CB C 23 64.301 64.223 0.078 1
1 179 . 8 1 1 A 23 23 SER C C 23 173.898 174.555 -0.657 1
1 180 . 8 1 1 A 24 24 ILE N N 24 114.094 118.489 -4.395 1
1 181 . 8 1 1 A 24 24 ILE H H 24 7.324 7.651 -0.327 1
1 182 . 8 1 1 A 24 24 ILE CA C 24 59.668 58.604 1.064 1
1 183 . 8 1 1 A 24 24 ILE HA H 24 4.710 4.645 0.065 1
1 184 . 8 1 1 A 24 24 ILE CB C 24 41.565 40.796 0.769 1
1 197 . 8 1 1 A 24 24 ILE C C 24 176.812 176.107 0.705 1
1 198 . 8 1 1 A 25 25 SER N N 25 122.408 116.651 5.757 1
1 199 . 8 1 1 A 25 25 SER H H 25 8.516 8.499 0.017 1
1 200 . 8 1 1 A 25 25 SER CA C 25 61.632 60.032 1.600 1
1 201 . 8 1 1 A 25 25 SER HA H 25 2.913 3.331 -0.418 1
1 202 . 8 1 1 A 25 25 SER CB C 25 61.900 62.664 -0.764 1
1 205 . 8 1 1 A 25 25 SER C C 25 175.441 176.512 -1.071 1
1 206 . 8 1 1 A 26 26 SER CA C 26 60.783 61.334 -0.551 1
1 207 . 8 1 1 A 26 26 SER HA H 26 4.116 4.085 0.031 1
1 208 . 8 1 1 A 26 26 SER CB C 26 61.616 62.695 -1.079 1
1 211 . 8 1 1 A 26 26 SER C C 26 177.043 176.923 0.120 1
1 212 . 8 1 1 A 27 27 GLN N N 27 120.773 121.105 -0.332 1
1 213 . 8 1 1 A 27 27 GLN H H 27 6.969 7.783 -0.814 1
1 214 . 8 1 1 A 27 27 GLN CA C 27 57.897 58.821 -0.924 1
1 215 . 8 1 1 A 27 27 GLN HA H 27 4.039 3.889 0.150 1
1 216 . 8 1 1 A 27 27 GLN CB C 27 28.426 28.139 0.287 1
1 225 . 8 1 1 A 27 27 GLN C C 27 178.938 178.082 0.856 1
1 226 . 8 1 1 A 28 28 LEU N N 28 120.821 120.938 -0.117 1
1 227 . 8 1 1 A 28 28 LEU H H 28 6.728 7.671 -0.943 1
1 228 . 8 1 1 A 28 28 LEU CA C 28 57.617 57.029 0.588 1
1 229 . 8 1 1 A 28 28 LEU HA H 28 3.384 2.672 0.712 1
1 230 . 8 1 1 A 28 28 LEU CB C 28 40.143 41.147 -1.004 1
1 243 . 8 1 1 A 28 28 LEU C C 28 177.298 177.992 -0.694 1
1 244 . 8 1 1 A 29 29 ALA N N 29 121.094 120.935 0.159 1
1 245 . 8 1 1 A 29 29 ALA H H 29 7.783 8.184 -0.401 1
1 246 . 8 1 1 A 29 29 ALA CA C 29 55.263 55.146 0.117 1
1 247 . 8 1 1 A 29 29 ALA HA H 29 4.170 4.016 0.154 1
1 248 . 8 1 1 A 29 29 ALA CB C 29 17.736 18.536 -0.800 1
1 252 . 8 1 1 A 29 29 ALA C C 29 180.735 180.048 0.687 1
1 253 . 8 1 1 A 30 30 THR N N 30 113.821 113.608 0.213 1
1 254 . 8 1 1 A 30 30 THR H H 30 7.746 8.074 -0.328 1
1 255 . 8 1 1 A 30 30 THR CA C 30 66.306 64.423 1.883 1
1 256 . 8 1 1 A 30 30 THR HA H 30 3.817 4.081 -0.264 1
1 257 . 8 1 1 A 30 30 THR CB C 30 68.819 68.055 0.764 1
1 263 . 8 1 1 A 30 30 THR C C 30 176.566 176.500 0.066 1
1 264 . 8 1 1 A 31 31 HIS N N 31 121.819 120.742 1.077 1
1 265 . 8 1 1 A 31 31 HIS H H 31 7.543 7.852 -0.309 1
1 266 . 8 1 1 A 31 31 HIS CA C 31 59.405 59.051 0.354 1
1 267 . 8 1 1 A 31 31 HIS HA H 31 4.166 4.145 0.021 1
1 268 . 8 1 1 A 31 31 HIS CB C 31 28.632 30.178 -1.546 1
1 275 . 8 1 1 A 31 31 HIS C C 31 176.084 176.940 -0.856 1
1 276 . 8 1 1 A 32 32 GLN N N 32 115.014 117.575 -2.561 1
1 277 . 8 1 1 A 32 32 GLN H H 32 8.439 8.553 -0.114 1
1 278 . 8 1 1 A 32 32 GLN CA C 32 59.346 59.316 0.030 1
1 279 . 8 1 1 A 32 32 GLN HA H 32 3.717 3.948 -0.231 1
1 280 . 8 1 1 A 32 32 GLN CB C 32 28.356 28.243 0.113 1
1 289 . 8 1 1 A 32 32 GLN C C 32 177.457 178.558 -1.101 1
1 290 . 8 1 1 A 33 33 ARG N N 33 117.225 119.945 -2.720 1
1 291 . 8 1 1 A 33 33 ARG H H 33 7.124 8.126 -1.002 1
1 292 . 8 1 1 A 33 33 ARG CA C 33 58.406 59.059 -0.653 1
1 293 . 8 1 1 A 33 33 ARG HA H 33 4.151 4.192 -0.041 1
1 294 . 8 1 1 A 33 33 ARG CB C 33 29.973 29.876 0.097 1
1 303 . 8 1 1 A 33 33 ARG C C 33 178.610 178.613 -0.003 1
1 304 . 8 1 1 A 34 34 ILE N N 34 116.430 117.369 -0.939 1
1 305 . 8 1 1 A 34 34 ILE H H 34 7.824 7.802 0.022 1
1 306 . 8 1 1 A 34 34 ILE CA C 34 63.156 63.671 -0.515 1
1 307 . 8 1 1 A 34 34 ILE HA H 34 3.975 3.705 0.270 1
1 308 . 8 1 1 A 34 34 ILE CB C 34 37.697 37.261 0.436 1
1 321 . 8 1 1 A 34 34 ILE C C 34 177.432 177.113 0.319 1
1 322 . 8 1 1 A 35 35 HIS N N 35 117.622 119.810 -2.188 1
1 323 . 8 1 1 A 35 35 HIS H H 35 7.205 7.765 -0.560 1
1 324 . 8 1 1 A 35 35 HIS CA C 35 55.332 58.647 -3.315 1
1 325 . 8 1 1 A 35 35 HIS HA H 35 4.866 4.435 0.431 1
1 326 . 8 1 1 A 35 35 HIS CB C 35 28.598 31.069 -2.471 1
1 333 . 8 1 1 A 35 35 HIS C C 35 175.877 176.024 -0.147 1
1 334 . 8 1 1 A 36 36 THR N N 36 111.682 110.831 0.851 1
1 335 . 8 1 1 A 36 36 THR H H 36 7.791 7.808 -0.017 1
1 336 . 8 1 1 A 36 36 THR CA C 36 62.540 61.622 0.918 1
1 337 . 8 1 1 A 36 36 THR HA H 36 4.366 4.339 0.027 1
1 338 . 8 1 1 A 36 36 THR CB C 36 69.869 68.757 1.112 1
1 344 . 8 1 1 A 36 36 THR C C 36 175.490 175.502 -0.012 1
1 345 . 8 1 1 A 37 37 GLY N N 37 111.018 111.441 -0.423 1
1 346 . 8 1 1 A 37 37 GLY H H 37 8.462 8.292 0.170 1
1 347 . 8 1 1 A 37 37 GLY CA C 37 45.323 46.765 -1.442 1
1 348 . 8 1 1 A 37 37 GLY HA2 H 37 3.967 3.885 0.082 1
1 349 . 8 1 1 A 37 37 GLY HA3 H 37 4.042 3.885 0.157 1
1 350 . 8 1 1 A 37 37 GLY C C 37 174.068 174.463 -0.395 1
1 351 . 8 1 1 A 38 38 GLU N N 38 120.568 118.935 1.633 1
1 352 . 8 1 1 A 38 38 GLU H H 38 8.092 7.886 0.206 1
1 353 . 8 1 1 A 38 38 GLU CA C 38 56.475 56.424 0.051 1
1 354 . 8 1 1 A 38 38 GLU HA H 38 4.262 4.403 -0.141 1
1 355 . 8 1 1 A 38 38 GLU CB C 38 30.555 30.123 0.432 1
1 361 . 8 1 1 A 38 38 GLU C C 38 176.242 175.731 0.511 1
1 362 . 8 1 1 A 39 39 LYS N N 39 123.829 124.571 -0.742 1
1 363 . 8 1 1 A 39 39 LYS H H 39 8.398 8.490 -0.092 1
1 364 . 8 1 1 A 39 39 LYS CA C 39 54.142 53.327 0.815 1
1 365 . 8 1 1 A 39 39 LYS HA H 39 4.624 4.767 -0.143 1
1 366 . 8 1 1 A 39 39 LYS CB C 39 32.528 35.016 -2.488 1
1 378 . 8 1 1 A 40 40 PRO CA C 40 63.167 62.824 0.343 1
1 379 . 8 1 1 A 40 40 PRO HA H 40 4.470 4.699 -0.229 1
1 380 . 8 1 1 A 40 40 PRO CB C 40 32.193 31.657 0.536 1
1 389 . 8 1 1 A 40 40 PRO C C 40 177.019 175.424 1.595 1
1 390 . 8 1 1 A 41 41 SER N N 41 116.494 118.483 -1.989 1
1 391 . 8 1 1 A 41 41 SER H H 41 8.475 8.677 -0.202 1
1 392 . 8 1 1 A 41 41 SER CA C 41 58.355 56.949 1.406 1
1 393 . 8 1 1 A 41 41 SER HA H 41 4.472 4.835 -0.363 1
1 394 . 8 1 1 A 41 41 SER CB C 41 64.047 63.887 0.160 1
1 396 . 8 1 1 A 41 41 SER C C 41 174.761 173.406 1.355 1
1 397 . 8 1 1 A 42 42 GLY CA C 42 44.674 45.590 -0.916 1
1 398 . 8 1 1 A 42 42 GLY HA2 H 42 4.117 4.386 -0.269 1
1 399 . 8 1 1 A 42 42 GLY HA3 H 42 4.175 4.386 -0.211 1
1 400 . 8 1 1 A 43 43 PRO CA C 43 63.252 62.821 0.431 1
1 401 . 8 1 1 A 43 43 PRO HA H 43 4.485 4.662 -0.177 1
1 402 . 8 1 1 A 43 43 PRO CB C 43 32.259 33.613 -1.354 1
1 411 . 8 1 1 A 45 45 SER CA C 45 58.354 58.062 0.292 1
1 412 . 8 1 1 A 45 45 SER HA H 45 4.511 4.479 0.032 1
1 413 . 8 1 1 A 45 45 SER CB C 45 64.043 64.224 -0.181 1
1 416 . 8 1 1 A 45 45 SER C C 45 173.934 174.617 -0.683 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.446 46.091 -0.645 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 4.044 3.849 0.195 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.517 175.449 -0.932 1
1 4 . 9 1 1 A 8 8 THR N N 8 112.820 115.209 -2.389 1
1 5 . 9 1 1 A 8 8 THR H H 8 8.156 8.596 -0.440 1
1 6 . 9 1 1 A 8 8 THR CA C 8 61.841 61.434 0.407 1
1 7 . 9 1 1 A 8 8 THR HA H 8 4.387 4.452 -0.065 1
1 8 . 9 1 1 A 8 8 THR CB C 8 69.860 68.529 1.331 1
1 14 . 9 1 1 A 8 8 THR C C 8 175.270 174.439 0.831 1
1 15 . 9 1 1 A 9 9 GLY N N 9 110.629 110.932 -0.303 1
1 16 . 9 1 1 A 9 9 GLY H H 9 8.224 8.098 0.126 1
1 17 . 9 1 1 A 9 9 GLY CA C 9 45.301 44.137 1.164 1
1 18 . 9 1 1 A 9 9 GLY HA2 H 9 3.936 4.117 -0.181 1
1 19 . 9 1 1 A 9 9 GLY HA3 H 9 3.974 4.119 -0.145 1
1 20 . 9 1 1 A 10 10 GLU N N 10 120.185 120.760 -0.575 1
1 21 . 9 1 1 A 10 10 GLU H H 10 8.244 8.459 -0.215 1
1 22 . 9 1 1 A 10 10 GLU CA C 10 56.913 55.831 1.082 1
1 23 . 9 1 1 A 10 10 GLU HA H 10 4.206 4.750 -0.544 1
1 24 . 9 1 1 A 10 10 GLU CB C 10 30.432 31.200 -0.768 1
1 30 . 9 1 1 A 11 11 LYS N N 11 121.853 126.942 -5.089 1
1 31 . 9 1 1 A 11 11 LYS H H 11 8.314 8.353 -0.039 1
1 32 . 9 1 1 A 11 11 LYS CA C 11 53.894 53.674 0.220 1
1 33 . 9 1 1 A 11 11 LYS HA H 11 4.547 5.098 -0.551 1
1 34 . 9 1 1 A 11 11 LYS CB C 11 32.861 33.144 -0.283 1
1 45 . 9 1 1 A 11 11 LYS C C 11 174.542 175.214 -0.672 1
1 46 . 9 1 1 A 12 12 PRO CA C 12 63.480 64.787 -1.307 1
1 47 . 9 1 1 A 12 12 PRO HA H 12 4.305 4.536 -0.231 1
1 48 . 9 1 1 A 12 12 PRO CB C 12 32.288 32.230 0.058 1
1 57 . 9 1 1 A 12 12 PRO C C 12 176.266 176.318 -0.052 1
1 58 . 9 1 1 A 13 13 PHE N N 13 118.209 117.880 0.329 1
1 59 . 9 1 1 A 13 13 PHE H H 13 8.027 7.349 0.678 1
1 60 . 9 1 1 A 13 13 PHE CA C 13 57.480 56.823 0.657 1
1 61 . 9 1 1 A 13 13 PHE HA H 13 4.646 5.244 -0.598 1
1 62 . 9 1 1 A 13 13 PHE CB C 13 39.143 41.888 -2.745 1
1 75 . 9 1 1 A 13 13 PHE C C 13 174.299 175.067 -0.768 1
1 76 . 9 1 1 A 14 14 GLU N N 14 124.594 121.909 2.685 1
1 77 . 9 1 1 A 14 14 GLU H H 14 8.557 8.666 -0.109 1
1 78 . 9 1 1 A 14 14 GLU CA C 14 55.040 54.700 0.340 1
1 79 . 9 1 1 A 14 14 GLU HA H 14 4.808 5.473 -0.665 1
1 80 . 9 1 1 A 14 14 GLU CB C 14 32.995 33.220 -0.225 1
1 86 . 9 1 1 A 14 14 GLU C C 14 175.064 175.552 -0.488 1
1 87 . 9 1 1 A 15 15 CYS N N 15 127.042 124.417 2.625 1
1 88 . 9 1 1 A 15 15 CYS H H 15 9.223 9.637 -0.414 1
1 89 . 9 1 1 A 15 15 CYS CA C 15 59.448 59.637 -0.189 1
1 90 . 9 1 1 A 15 15 CYS HA H 15 4.559 4.631 -0.072 1
1 91 . 9 1 1 A 15 15 CYS CB C 15 29.596 28.837 0.759 1
1 94 . 9 1 1 A 15 15 CYS C C 15 176.934 174.589 2.345 1
1 95 . 9 1 1 A 16 16 ALA N N 16 121.197 126.782 -5.585 1
1 96 . 9 1 1 A 16 16 ALA H H 16 9.386 8.269 1.117 1
1 97 . 9 1 1 A 16 16 ALA CA C 16 54.526 52.825 1.701 1
1 98 . 9 1 1 A 16 16 ALA HA H 16 4.243 4.361 -0.118 1
1 99 . 9 1 1 A 16 16 ALA CB C 16 18.918 20.887 -1.969 1
1 103 . 9 1 1 A 16 16 ALA C C 16 178.161 178.720 -0.559 1
1 104 . 9 1 1 A 17 17 GLU N N 17 118.104 118.676 -0.572 1
1 105 . 9 1 1 A 17 17 GLU H H 17 8.565 8.428 0.137 1
1 106 . 9 1 1 A 17 17 GLU CA C 17 58.342 59.324 -0.982 1
1 107 . 9 1 1 A 17 17 GLU HA H 17 4.183 3.933 0.250 1
1 108 . 9 1 1 A 17 17 GLU CB C 17 29.540 28.945 0.595 1
1 114 . 9 1 1 A 17 17 GLU C C 17 177.383 178.039 -0.656 1
1 115 . 9 1 1 A 18 18 CYS N N 18 114.477 114.928 -0.451 1
1 116 . 9 1 1 A 18 18 CYS H H 18 7.922 7.945 -0.023 1
1 117 . 9 1 1 A 18 18 CYS CA C 18 58.458 59.818 -1.360 1
1 118 . 9 1 1 A 18 18 CYS HA H 18 5.191 4.773 0.418 1
1 119 . 9 1 1 A 18 18 CYS CB C 18 32.615 30.075 2.540 1
1 122 . 9 1 1 A 18 18 CYS C C 18 176.327 175.617 0.710 1
1 123 . 9 1 1 A 19 19 GLY N N 19 113.483 110.360 3.123 1
1 124 . 9 1 1 A 19 19 GLY H H 19 8.278 8.374 -0.096 1
1 125 . 9 1 1 A 19 19 GLY CA C 19 46.201 45.839 0.362 1
1 126 . 9 1 1 A 19 19 GLY HA2 H 19 4.245 4.089 0.156 1
1 127 . 9 1 1 A 19 19 GLY HA3 H 19 3.885 4.098 -0.213 1
1 128 . 9 1 1 A 19 19 GLY C C 19 173.983 173.938 0.045 1
1 129 . 9 1 1 A 20 20 LYS N N 20 122.831 120.654 2.177 1
1 130 . 9 1 1 A 20 20 LYS H H 20 7.964 7.727 0.237 1
1 131 . 9 1 1 A 20 20 LYS CA C 20 57.920 54.660 3.260 1
1 132 . 9 1 1 A 20 20 LYS HA H 20 4.054 4.775 -0.721 1
1 133 . 9 1 1 A 20 20 LYS CB C 20 33.613 35.590 -1.977 1
1 145 . 9 1 1 A 20 20 LYS C C 20 174.311 175.247 -0.936 1
1 146 . 9 1 1 A 21 21 SER N N 21 115.065 117.070 -2.005 1
1 147 . 9 1 1 A 21 21 SER H H 21 7.780 8.727 -0.947 1
1 148 . 9 1 1 A 21 21 SER CA C 21 56.653 55.403 1.250 1
1 149 . 9 1 1 A 21 21 SER HA H 21 5.311 5.594 -0.283 1
1 150 . 9 1 1 A 21 21 SER CB C 21 66.094 66.261 -0.167 1
1 153 . 9 1 1 A 21 21 SER C C 21 173.133 173.396 -0.263 1
1 154 . 9 1 1 A 22 22 PHE N N 22 117.950 117.938 0.012 1
1 155 . 9 1 1 A 22 22 PHE H H 22 8.696 8.778 -0.082 1
1 156 . 9 1 1 A 22 22 PHE CA C 22 57.415 56.750 0.665 1
1 157 . 9 1 1 A 22 22 PHE HA H 22 4.824 4.949 -0.125 1
1 158 . 9 1 1 A 22 22 PHE CB C 22 43.800 43.480 0.320 1
1 171 . 9 1 1 A 22 22 PHE C C 22 175.440 175.707 -0.267 1
1 172 . 9 1 1 A 23 23 SER N N 23 116.091 115.352 0.739 1
1 173 . 9 1 1 A 23 23 SER H H 23 9.091 9.077 0.014 1
1 174 . 9 1 1 A 23 23 SER CA C 23 61.106 61.011 0.095 1
1 175 . 9 1 1 A 23 23 SER HA H 23 4.681 4.565 0.116 1
1 176 . 9 1 1 A 23 23 SER CB C 23 64.301 64.107 0.194 1
1 179 . 9 1 1 A 23 23 SER C C 23 173.898 174.756 -0.858 1
1 180 . 9 1 1 A 24 24 ILE N N 24 114.094 118.357 -4.263 1
1 181 . 9 1 1 A 24 24 ILE H H 24 7.324 7.558 -0.234 1
1 182 . 9 1 1 A 24 24 ILE CA C 24 59.668 58.907 0.761 1
1 183 . 9 1 1 A 24 24 ILE HA H 24 4.710 4.677 0.033 1
1 184 . 9 1 1 A 24 24 ILE CB C 24 41.565 40.649 0.916 1
1 197 . 9 1 1 A 24 24 ILE C C 24 176.812 176.198 0.614 1
1 198 . 9 1 1 A 25 25 SER N N 25 122.408 116.495 5.913 1
1 199 . 9 1 1 A 25 25 SER H H 25 8.516 8.682 -0.166 1
1 200 . 9 1 1 A 25 25 SER CA C 25 61.632 60.810 0.822 1
1 201 . 9 1 1 A 25 25 SER HA H 25 2.913 3.144 -0.231 1
1 202 . 9 1 1 A 25 25 SER CB C 25 61.900 62.495 -0.595 1
1 205 . 9 1 1 A 25 25 SER C C 25 175.441 176.035 -0.594 1
1 206 . 9 1 1 A 26 26 SER CA C 26 60.783 61.530 -0.747 1
1 207 . 9 1 1 A 26 26 SER HA H 26 4.116 3.992 0.124 1
1 208 . 9 1 1 A 26 26 SER CB C 26 61.616 63.064 -1.448 1
1 211 . 9 1 1 A 26 26 SER C C 26 177.043 176.990 0.053 1
1 212 . 9 1 1 A 27 27 GLN N N 27 120.773 121.372 -0.599 1
1 213 . 9 1 1 A 27 27 GLN H H 27 6.969 8.149 -1.180 1
1 214 . 9 1 1 A 27 27 GLN CA C 27 57.897 59.055 -1.158 1
1 215 . 9 1 1 A 27 27 GLN HA H 27 4.039 3.956 0.083 1
1 216 . 9 1 1 A 27 27 GLN CB C 27 28.426 28.487 -0.061 1
1 225 . 9 1 1 A 27 27 GLN C C 27 178.938 178.153 0.785 1
1 226 . 9 1 1 A 28 28 LEU N N 28 120.821 121.605 -0.784 1
1 227 . 9 1 1 A 28 28 LEU H H 28 6.728 7.682 -0.954 1
1 228 . 9 1 1 A 28 28 LEU CA C 28 57.617 57.471 0.146 1
1 229 . 9 1 1 A 28 28 LEU HA H 28 3.384 2.714 0.670 1
1 230 . 9 1 1 A 28 28 LEU CB C 28 40.143 40.952 -0.809 1
1 243 . 9 1 1 A 28 28 LEU C C 28 177.298 177.914 -0.616 1
1 244 . 9 1 1 A 29 29 ALA N N 29 121.094 120.470 0.624 1
1 245 . 9 1 1 A 29 29 ALA H H 29 7.783 8.244 -0.461 1
1 246 . 9 1 1 A 29 29 ALA CA C 29 55.263 55.287 -0.024 1
1 247 . 9 1 1 A 29 29 ALA HA H 29 4.170 3.984 0.186 1
1 248 . 9 1 1 A 29 29 ALA CB C 29 17.736 18.576 -0.840 1
1 252 . 9 1 1 A 29 29 ALA C C 29 180.735 179.974 0.761 1
1 253 . 9 1 1 A 30 30 THR N N 30 113.821 113.897 -0.076 1
1 254 . 9 1 1 A 30 30 THR H H 30 7.746 8.150 -0.404 1
1 255 . 9 1 1 A 30 30 THR CA C 30 66.306 65.338 0.968 1
1 256 . 9 1 1 A 30 30 THR HA H 30 3.817 4.039 -0.222 1
1 257 . 9 1 1 A 30 30 THR CB C 30 68.819 68.481 0.338 1
1 263 . 9 1 1 A 30 30 THR C C 30 176.566 176.588 -0.022 1
1 264 . 9 1 1 A 31 31 HIS N N 31 121.819 121.038 0.781 1
1 265 . 9 1 1 A 31 31 HIS H H 31 7.543 8.079 -0.536 1
1 266 . 9 1 1 A 31 31 HIS CA C 31 59.405 59.176 0.229 1
1 267 . 9 1 1 A 31 31 HIS HA H 31 4.166 4.260 -0.094 1
1 268 . 9 1 1 A 31 31 HIS CB C 31 28.632 30.206 -1.574 1
1 275 . 9 1 1 A 31 31 HIS C C 31 176.084 177.128 -1.044 1
1 276 . 9 1 1 A 32 32 GLN N N 32 115.014 117.671 -2.657 1
1 277 . 9 1 1 A 32 32 GLN H H 32 8.439 8.657 -0.218 1
1 278 . 9 1 1 A 32 32 GLN CA C 32 59.346 59.272 0.074 1
1 279 . 9 1 1 A 32 32 GLN HA H 32 3.717 3.966 -0.249 1
1 280 . 9 1 1 A 32 32 GLN CB C 32 28.356 28.293 0.063 1
1 289 . 9 1 1 A 32 32 GLN C C 32 177.457 178.618 -1.161 1
1 290 . 9 1 1 A 33 33 ARG N N 33 117.225 119.937 -2.712 1
1 291 . 9 1 1 A 33 33 ARG H H 33 7.124 7.620 -0.496 1
1 292 . 9 1 1 A 33 33 ARG CA C 33 58.406 58.983 -0.577 1
1 293 . 9 1 1 A 33 33 ARG HA H 33 4.151 3.976 0.175 1
1 294 . 9 1 1 A 33 33 ARG CB C 33 29.973 29.897 0.076 1
1 303 . 9 1 1 A 33 33 ARG C C 33 178.610 179.018 -0.408 1
1 304 . 9 1 1 A 34 34 ILE N N 34 116.430 118.035 -1.605 1
1 305 . 9 1 1 A 34 34 ILE H H 34 7.824 8.059 -0.235 1
1 306 . 9 1 1 A 34 34 ILE CA C 34 63.156 63.858 -0.702 1
1 307 . 9 1 1 A 34 34 ILE HA H 34 3.975 3.767 0.208 1
1 308 . 9 1 1 A 34 34 ILE CB C 34 37.697 37.306 0.391 1
1 321 . 9 1 1 A 34 34 ILE C C 34 177.432 176.713 0.719 1
1 322 . 9 1 1 A 35 35 HIS N N 35 117.622 119.922 -2.300 1
1 323 . 9 1 1 A 35 35 HIS H H 35 7.205 7.861 -0.656 1
1 324 . 9 1 1 A 35 35 HIS CA C 35 55.332 56.438 -1.106 1
1 325 . 9 1 1 A 35 35 HIS HA H 35 4.866 4.624 0.242 1
1 326 . 9 1 1 A 35 35 HIS CB C 35 28.598 29.081 -0.483 1
1 333 . 9 1 1 A 35 35 HIS C C 35 175.877 176.038 -0.161 1
1 334 . 9 1 1 A 36 36 THR N N 36 111.682 112.973 -1.291 1
1 335 . 9 1 1 A 36 36 THR H H 36 7.791 8.032 -0.241 1
1 336 . 9 1 1 A 36 36 THR CA C 36 62.540 64.125 -1.585 1
1 337 . 9 1 1 A 36 36 THR HA H 36 4.366 4.042 0.324 1
1 338 . 9 1 1 A 36 36 THR CB C 36 69.869 68.944 0.925 1
1 344 . 9 1 1 A 36 36 THR C C 36 175.490 175.050 0.440 1
1 345 . 9 1 1 A 37 37 GLY N N 37 111.018 110.202 0.816 1
1 346 . 9 1 1 A 37 37 GLY H H 37 8.462 7.885 0.577 1
1 347 . 9 1 1 A 37 37 GLY CA C 37 45.323 45.644 -0.321 1
1 348 . 9 1 1 A 37 37 GLY HA2 H 37 3.967 3.903 0.064 1
1 349 . 9 1 1 A 37 37 GLY HA3 H 37 4.042 3.915 0.127 1
1 350 . 9 1 1 A 37 37 GLY C C 37 174.068 175.062 -0.994 1
1 351 . 9 1 1 A 38 38 GLU N N 38 120.568 122.088 -1.520 1
1 352 . 9 1 1 A 38 38 GLU H H 38 8.092 8.911 -0.819 1
1 353 . 9 1 1 A 38 38 GLU CA C 38 56.475 56.267 0.208 1
1 354 . 9 1 1 A 38 38 GLU HA H 38 4.262 4.495 -0.233 1
1 355 . 9 1 1 A 38 38 GLU CB C 38 30.555 30.027 0.528 1
1 361 . 9 1 1 A 38 38 GLU C C 38 176.242 175.389 0.853 1
1 362 . 9 1 1 A 39 39 LYS N N 39 123.829 120.419 3.410 1
1 363 . 9 1 1 A 39 39 LYS H H 39 8.398 7.387 1.011 1
1 364 . 9 1 1 A 39 39 LYS CA C 39 54.142 53.429 0.713 1
1 365 . 9 1 1 A 39 39 LYS HA H 39 4.624 4.688 -0.064 1
1 366 . 9 1 1 A 39 39 LYS CB C 39 32.528 35.716 -3.188 1
1 378 . 9 1 1 A 40 40 PRO CA C 40 63.167 62.495 0.672 1
1 379 . 9 1 1 A 40 40 PRO HA H 40 4.470 4.724 -0.254 1
1 380 . 9 1 1 A 40 40 PRO CB C 40 32.193 30.023 2.170 1
1 389 . 9 1 1 A 40 40 PRO C C 40 177.019 176.090 0.929 1
1 390 . 9 1 1 A 41 41 SER N N 41 116.494 113.880 2.614 1
1 391 . 9 1 1 A 41 41 SER H H 41 8.475 8.049 0.426 1
1 392 . 9 1 1 A 41 41 SER CA C 41 58.355 56.569 1.786 1
1 393 . 9 1 1 A 41 41 SER HA H 41 4.472 4.941 -0.469 1
1 394 . 9 1 1 A 41 41 SER CB C 41 64.047 65.836 -1.789 1
1 396 . 9 1 1 A 41 41 SER C C 41 174.761 174.826 -0.065 1
1 397 . 9 1 1 A 42 42 GLY CA C 42 44.674 44.227 0.447 1
1 398 . 9 1 1 A 42 42 GLY HA2 H 42 4.117 4.093 0.024 1
1 399 . 9 1 1 A 42 42 GLY HA3 H 42 4.175 4.094 0.081 1
1 400 . 9 1 1 A 43 43 PRO CA C 43 63.252 62.448 0.804 1
1 401 . 9 1 1 A 43 43 PRO HA H 43 4.485 4.601 -0.116 1
1 402 . 9 1 1 A 43 43 PRO CB C 43 32.259 33.045 -0.786 1
1 411 . 9 1 1 A 45 45 SER CA C 45 58.354 57.770 0.584 1
1 412 . 9 1 1 A 45 45 SER HA H 45 4.511 4.866 -0.355 1
1 413 . 9 1 1 A 45 45 SER CB C 45 64.043 64.843 -0.800 1
1 416 . 9 1 1 A 45 45 SER C C 45 173.934 174.689 -0.755 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.446 45.806 -0.360 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 4.044 4.211 -0.167 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.517 174.055 0.462 1
1 4 . 10 1 1 A 8 8 THR N N 8 112.820 115.278 -2.458 1
1 5 . 10 1 1 A 8 8 THR H H 8 8.156 8.568 -0.412 1
1 6 . 10 1 1 A 8 8 THR CA C 8 61.841 63.469 -1.628 1
1 7 . 10 1 1 A 8 8 THR HA H 8 4.387 4.386 0.001 1
1 8 . 10 1 1 A 8 8 THR CB C 8 69.860 70.653 -0.793 1
1 14 . 10 1 1 A 8 8 THR C C 8 175.270 174.908 0.362 1
1 15 . 10 1 1 A 9 9 GLY N N 9 110.629 108.696 1.933 1
1 16 . 10 1 1 A 9 9 GLY H H 9 8.224 7.600 0.624 1
1 17 . 10 1 1 A 9 9 GLY CA C 9 45.301 45.453 -0.152 1
1 18 . 10 1 1 A 9 9 GLY HA2 H 9 3.936 3.979 -0.043 1
1 19 . 10 1 1 A 9 9 GLY HA3 H 9 3.974 3.985 -0.011 1
1 20 . 10 1 1 A 10 10 GLU N N 10 120.185 115.786 4.399 1
1 21 . 10 1 1 A 10 10 GLU H H 10 8.244 8.091 0.153 1
1 22 . 10 1 1 A 10 10 GLU CA C 10 56.913 57.532 -0.619 1
1 23 . 10 1 1 A 10 10 GLU HA H 10 4.206 3.805 0.401 1
1 24 . 10 1 1 A 10 10 GLU CB C 10 30.432 27.275 3.157 1
1 30 . 10 1 1 A 11 11 LYS N N 11 121.853 119.567 2.286 1
1 31 . 10 1 1 A 11 11 LYS H H 11 8.314 8.078 0.236 1
1 32 . 10 1 1 A 11 11 LYS CA C 11 53.894 53.277 0.617 1
1 33 . 10 1 1 A 11 11 LYS HA H 11 4.547 4.741 -0.194 1
1 34 . 10 1 1 A 11 11 LYS CB C 11 32.861 33.349 -0.488 1
1 45 . 10 1 1 A 11 11 LYS C C 11 174.542 176.353 -1.811 1
1 46 . 10 1 1 A 12 12 PRO CA C 12 63.480 64.552 -1.072 1
1 47 . 10 1 1 A 12 12 PRO HA H 12 4.305 4.323 -0.018 1
1 48 . 10 1 1 A 12 12 PRO CB C 12 32.288 31.640 0.648 1
1 57 . 10 1 1 A 12 12 PRO C C 12 176.266 176.126 0.140 1
1 58 . 10 1 1 A 13 13 PHE N N 13 118.209 117.595 0.614 1
1 59 . 10 1 1 A 13 13 PHE H H 13 8.027 7.758 0.269 1
1 60 . 10 1 1 A 13 13 PHE CA C 13 57.480 56.977 0.503 1
1 61 . 10 1 1 A 13 13 PHE HA H 13 4.646 4.745 -0.099 1
1 62 . 10 1 1 A 13 13 PHE CB C 13 39.143 38.266 0.877 1
1 75 . 10 1 1 A 13 13 PHE C C 13 174.299 174.760 -0.461 1
1 76 . 10 1 1 A 14 14 GLU N N 14 124.594 125.618 -1.024 1
1 77 . 10 1 1 A 14 14 GLU H H 14 8.557 9.058 -0.501 1
1 78 . 10 1 1 A 14 14 GLU CA C 14 55.040 54.659 0.381 1
1 79 . 10 1 1 A 14 14 GLU HA H 14 4.808 5.154 -0.346 1
1 80 . 10 1 1 A 14 14 GLU CB C 14 32.995 33.105 -0.110 1
1 86 . 10 1 1 A 14 14 GLU C C 14 175.064 175.868 -0.804 1
1 87 . 10 1 1 A 15 15 CYS N N 15 127.042 125.670 1.372 1
1 88 . 10 1 1 A 15 15 CYS H H 15 9.223 9.197 0.026 1
1 89 . 10 1 1 A 15 15 CYS CA C 15 59.448 59.203 0.245 1
1 90 . 10 1 1 A 15 15 CYS HA H 15 4.559 4.746 -0.187 1
1 91 . 10 1 1 A 15 15 CYS CB C 15 29.596 29.083 0.513 1
1 94 . 10 1 1 A 15 15 CYS C C 15 176.934 175.290 1.644 1
1 95 . 10 1 1 A 16 16 ALA N N 16 121.197 126.621 -5.424 1
1 96 . 10 1 1 A 16 16 ALA H H 16 9.386 8.466 0.920 1
1 97 . 10 1 1 A 16 16 ALA CA C 16 54.526 52.528 1.998 1
1 98 . 10 1 1 A 16 16 ALA HA H 16 4.243 4.459 -0.216 1
1 99 . 10 1 1 A 16 16 ALA CB C 16 18.918 20.606 -1.688 1
1 103 . 10 1 1 A 16 16 ALA C C 16 178.161 178.476 -0.315 1
1 104 . 10 1 1 A 17 17 GLU N N 17 118.104 117.640 0.464 1
1 105 . 10 1 1 A 17 17 GLU H H 17 8.565 8.152 0.413 1
1 106 . 10 1 1 A 17 17 GLU CA C 17 58.342 59.066 -0.724 1
1 107 . 10 1 1 A 17 17 GLU HA H 17 4.183 4.068 0.115 1
1 108 . 10 1 1 A 17 17 GLU CB C 17 29.540 29.809 -0.269 1
1 114 . 10 1 1 A 17 17 GLU C C 17 177.383 177.752 -0.369 1
1 115 . 10 1 1 A 18 18 CYS N N 18 114.477 115.217 -0.740 1
1 116 . 10 1 1 A 18 18 CYS H H 18 7.922 7.970 -0.048 1
1 117 . 10 1 1 A 18 18 CYS CA C 18 58.458 59.515 -1.057 1
1 118 . 10 1 1 A 18 18 CYS HA H 18 5.191 4.648 0.543 1
1 119 . 10 1 1 A 18 18 CYS CB C 18 32.615 29.999 2.616 1
1 122 . 10 1 1 A 18 18 CYS C C 18 176.327 175.635 0.692 1
1 123 . 10 1 1 A 19 19 GLY N N 19 113.483 110.358 3.125 1
1 124 . 10 1 1 A 19 19 GLY H H 19 8.278 8.277 0.001 1
1 125 . 10 1 1 A 19 19 GLY CA C 19 46.201 45.017 1.184 1
1 126 . 10 1 1 A 19 19 GLY HA2 H 19 4.245 4.061 0.184 1
1 127 . 10 1 1 A 19 19 GLY HA3 H 19 3.885 4.081 -0.196 1
1 128 . 10 1 1 A 19 19 GLY C C 19 173.983 174.318 -0.335 1
1 129 . 10 1 1 A 20 20 LYS N N 20 122.831 123.043 -0.212 1
1 130 . 10 1 1 A 20 20 LYS H H 20 7.964 7.689 0.275 1
1 131 . 10 1 1 A 20 20 LYS CA C 20 57.920 55.922 1.998 1
1 132 . 10 1 1 A 20 20 LYS HA H 20 4.054 4.301 -0.247 1
1 133 . 10 1 1 A 20 20 LYS CB C 20 33.613 33.401 0.212 1
1 145 . 10 1 1 A 20 20 LYS C C 20 174.311 175.939 -1.628 1
1 146 . 10 1 1 A 21 21 SER N N 21 115.065 117.858 -2.793 1
1 147 . 10 1 1 A 21 21 SER H H 21 7.780 8.233 -0.453 1
1 148 . 10 1 1 A 21 21 SER CA C 21 56.653 57.227 -0.574 1
1 149 . 10 1 1 A 21 21 SER HA H 21 5.311 5.233 0.078 1
1 150 . 10 1 1 A 21 21 SER CB C 21 66.094 65.633 0.461 1
1 153 . 10 1 1 A 21 21 SER C C 21 173.133 173.636 -0.503 1
1 154 . 10 1 1 A 22 22 PHE N N 22 117.950 117.961 -0.011 1
1 155 . 10 1 1 A 22 22 PHE H H 22 8.696 8.471 0.225 1
1 156 . 10 1 1 A 22 22 PHE CA C 22 57.415 57.023 0.392 1
1 157 . 10 1 1 A 22 22 PHE HA H 22 4.824 4.902 -0.078 1
1 158 . 10 1 1 A 22 22 PHE CB C 22 43.800 43.235 0.565 1
1 171 . 10 1 1 A 22 22 PHE C C 22 175.440 175.764 -0.324 1
1 172 . 10 1 1 A 23 23 SER N N 23 116.091 116.562 -0.471 1
1 173 . 10 1 1 A 23 23 SER H H 23 9.091 8.848 0.243 1
1 174 . 10 1 1 A 23 23 SER CA C 23 61.106 62.367 -1.261 1
1 175 . 10 1 1 A 23 23 SER HA H 23 4.681 4.425 0.256 1
1 176 . 10 1 1 A 23 23 SER CB C 23 64.301 63.584 0.717 1
1 179 . 10 1 1 A 23 23 SER C C 23 173.898 174.964 -1.066 1
1 180 . 10 1 1 A 24 24 ILE N N 24 114.094 118.213 -4.119 1
1 181 . 10 1 1 A 24 24 ILE H H 24 7.324 7.482 -0.158 1
1 182 . 10 1 1 A 24 24 ILE CA C 24 59.668 58.648 1.020 1
1 183 . 10 1 1 A 24 24 ILE HA H 24 4.710 4.714 -0.004 1
1 184 . 10 1 1 A 24 24 ILE CB C 24 41.565 40.300 1.265 1
1 197 . 10 1 1 A 24 24 ILE C C 24 176.812 175.930 0.882 1
1 198 . 10 1 1 A 25 25 SER N N 25 122.408 116.933 5.475 1
1 199 . 10 1 1 A 25 25 SER H H 25 8.516 8.345 0.171 1
1 200 . 10 1 1 A 25 25 SER CA C 25 61.632 60.606 1.026 1
1 201 . 10 1 1 A 25 25 SER HA H 25 2.913 3.329 -0.416 1
1 202 . 10 1 1 A 25 25 SER CB C 25 61.900 62.399 -0.499 1
1 205 . 10 1 1 A 25 25 SER C C 25 175.441 176.337 -0.896 1
1 206 . 10 1 1 A 26 26 SER CA C 26 60.783 61.848 -1.065 1
1 207 . 10 1 1 A 26 26 SER HA H 26 4.116 4.032 0.084 1
1 208 . 10 1 1 A 26 26 SER CB C 26 61.616 62.757 -1.141 1
1 211 . 10 1 1 A 26 26 SER C C 26 177.043 176.831 0.212 1
1 212 . 10 1 1 A 27 27 GLN N N 27 120.773 121.124 -0.351 1
1 213 . 10 1 1 A 27 27 GLN H H 27 6.969 7.983 -1.014 1
1 214 . 10 1 1 A 27 27 GLN CA C 27 57.897 58.786 -0.889 1
1 215 . 10 1 1 A 27 27 GLN HA H 27 4.039 3.951 0.088 1
1 216 . 10 1 1 A 27 27 GLN CB C 27 28.426 28.077 0.349 1
1 225 . 10 1 1 A 27 27 GLN C C 27 178.938 178.223 0.715 1
1 226 . 10 1 1 A 28 28 LEU N N 28 120.821 121.189 -0.368 1
1 227 . 10 1 1 A 28 28 LEU H H 28 6.728 7.779 -1.051 1
1 228 . 10 1 1 A 28 28 LEU CA C 28 57.617 57.358 0.259 1
1 229 . 10 1 1 A 28 28 LEU HA H 28 3.384 2.831 0.553 1
1 230 . 10 1 1 A 28 28 LEU CB C 28 40.143 41.387 -1.244 1
1 243 . 10 1 1 A 28 28 LEU C C 28 177.298 178.026 -0.728 1
1 244 . 10 1 1 A 29 29 ALA N N 29 121.094 120.703 0.391 1
1 245 . 10 1 1 A 29 29 ALA H H 29 7.783 8.440 -0.657 1
1 246 . 10 1 1 A 29 29 ALA CA C 29 55.263 55.233 0.030 1
1 247 . 10 1 1 A 29 29 ALA HA H 29 4.170 4.003 0.167 1
1 248 . 10 1 1 A 29 29 ALA CB C 29 17.736 18.515 -0.779 1
1 252 . 10 1 1 A 29 29 ALA C C 29 180.735 180.028 0.707 1
1 253 . 10 1 1 A 30 30 THR N N 30 113.821 113.542 0.279 1
1 254 . 10 1 1 A 30 30 THR H H 30 7.746 8.162 -0.416 1
1 255 . 10 1 1 A 30 30 THR CA C 30 66.306 64.586 1.720 1
1 256 . 10 1 1 A 30 30 THR HA H 30 3.817 4.029 -0.212 1
1 257 . 10 1 1 A 30 30 THR CB C 30 68.819 68.126 0.693 1
1 263 . 10 1 1 A 30 30 THR C C 30 176.566 176.289 0.277 1
1 264 . 10 1 1 A 31 31 HIS N N 31 121.819 120.709 1.110 1
1 265 . 10 1 1 A 31 31 HIS H H 31 7.543 7.726 -0.183 1
1 266 . 10 1 1 A 31 31 HIS CA C 31 59.405 59.004 0.401 1
1 267 . 10 1 1 A 31 31 HIS HA H 31 4.166 4.135 0.031 1
1 268 . 10 1 1 A 31 31 HIS CB C 31 28.632 29.913 -1.281 1
1 275 . 10 1 1 A 31 31 HIS C C 31 176.084 177.148 -1.064 1
1 276 . 10 1 1 A 32 32 GLN N N 32 115.014 117.672 -2.658 1
1 277 . 10 1 1 A 32 32 GLN H H 32 8.439 8.558 -0.119 1
1 278 . 10 1 1 A 32 32 GLN CA C 32 59.346 58.856 0.490 1
1 279 . 10 1 1 A 32 32 GLN HA H 32 3.717 3.662 0.055 1
1 280 . 10 1 1 A 32 32 GLN CB C 32 28.356 28.294 0.062 1
1 289 . 10 1 1 A 32 32 GLN C C 32 177.457 178.242 -0.785 1
1 290 . 10 1 1 A 33 33 ARG N N 33 117.225 118.101 -0.876 1
1 291 . 10 1 1 A 33 33 ARG H H 33 7.124 7.620 -0.496 1
1 292 . 10 1 1 A 33 33 ARG CA C 33 58.406 58.722 -0.316 1
1 293 . 10 1 1 A 33 33 ARG HA H 33 4.151 4.028 0.123 1
1 294 . 10 1 1 A 33 33 ARG CB C 33 29.973 30.235 -0.262 1
1 303 . 10 1 1 A 33 33 ARG C C 33 178.610 177.772 0.838 1
1 304 . 10 1 1 A 34 34 ILE N N 34 116.430 115.821 0.609 1
1 305 . 10 1 1 A 34 34 ILE H H 34 7.824 7.655 0.169 1
1 306 . 10 1 1 A 34 34 ILE CA C 34 63.156 63.871 -0.715 1
1 307 . 10 1 1 A 34 34 ILE HA H 34 3.975 3.737 0.238 1
1 308 . 10 1 1 A 34 34 ILE CB C 34 37.697 37.056 0.641 1
1 321 . 10 1 1 A 34 34 ILE C C 34 177.432 177.756 -0.324 1
1 322 . 10 1 1 A 35 35 HIS N N 35 117.622 119.870 -2.248 1
1 323 . 10 1 1 A 35 35 HIS H H 35 7.205 7.423 -0.218 1
1 324 . 10 1 1 A 35 35 HIS CA C 35 55.332 59.390 -4.058 1
1 325 . 10 1 1 A 35 35 HIS HA H 35 4.866 4.252 0.614 1
1 326 . 10 1 1 A 35 35 HIS CB C 35 28.598 30.536 -1.938 1
1 333 . 10 1 1 A 35 35 HIS C C 35 175.877 176.110 -0.233 1
1 334 . 10 1 1 A 36 36 THR N N 36 111.682 106.762 4.920 1
1 335 . 10 1 1 A 36 36 THR H H 36 7.791 7.633 0.158 1
1 336 . 10 1 1 A 36 36 THR CA C 36 62.540 60.955 1.585 1
1 337 . 10 1 1 A 36 36 THR HA H 36 4.366 4.462 -0.096 1
1 338 . 10 1 1 A 36 36 THR CB C 36 69.869 68.911 0.958 1
1 344 . 10 1 1 A 36 36 THR C C 36 175.490 174.320 1.170 1
1 345 . 10 1 1 A 37 37 GLY N N 37 111.018 109.972 1.046 1
1 346 . 10 1 1 A 37 37 GLY H H 37 8.462 7.406 1.056 1
1 347 . 10 1 1 A 37 37 GLY CA C 37 45.323 45.526 -0.203 1
1 348 . 10 1 1 A 37 37 GLY HA2 H 37 3.967 4.131 -0.164 1
1 349 . 10 1 1 A 37 37 GLY HA3 H 37 4.042 4.140 -0.098 1
1 350 . 10 1 1 A 37 37 GLY C C 37 174.068 174.940 -0.872 1
1 351 . 10 1 1 A 38 38 GLU N N 38 120.568 116.936 3.632 1
1 352 . 10 1 1 A 38 38 GLU H H 38 8.092 8.179 -0.087 1
1 353 . 10 1 1 A 38 38 GLU CA C 38 56.475 56.072 0.403 1
1 354 . 10 1 1 A 38 38 GLU HA H 38 4.262 4.469 -0.207 1
1 355 . 10 1 1 A 38 38 GLU CB C 38 30.555 31.468 -0.913 1
1 361 . 10 1 1 A 38 38 GLU C C 38 176.242 176.102 0.140 1
1 362 . 10 1 1 A 39 39 LYS N N 39 123.829 117.562 6.267 1
1 363 . 10 1 1 A 39 39 LYS H H 39 8.398 7.350 1.048 1
1 364 . 10 1 1 A 39 39 LYS CA C 39 54.142 54.098 0.044 1
1 365 . 10 1 1 A 39 39 LYS HA H 39 4.624 4.742 -0.118 1
1 366 . 10 1 1 A 39 39 LYS CB C 39 32.528 33.479 -0.951 1
1 378 . 10 1 1 A 40 40 PRO CA C 40 63.167 64.625 -1.458 1
1 379 . 10 1 1 A 40 40 PRO HA H 40 4.470 4.352 0.118 1
1 380 . 10 1 1 A 40 40 PRO CB C 40 32.193 31.867 0.326 1
1 389 . 10 1 1 A 40 40 PRO C C 40 177.019 177.647 -0.628 1
1 390 . 10 1 1 A 41 41 SER N N 41 116.494 113.986 2.508 1
1 391 . 10 1 1 A 41 41 SER H H 41 8.475 8.128 0.347 1
1 392 . 10 1 1 A 41 41 SER CA C 41 58.355 59.609 -1.254 1
1 393 . 10 1 1 A 41 41 SER HA H 41 4.472 4.086 0.386 1
1 394 . 10 1 1 A 41 41 SER CB C 41 64.047 61.942 2.105 1
1 396 . 10 1 1 A 41 41 SER C C 41 174.761 173.270 1.491 1
1 397 . 10 1 1 A 42 42 GLY CA C 42 44.674 43.806 0.868 1
1 398 . 10 1 1 A 42 42 GLY HA2 H 42 4.117 4.187 -0.070 1
1 399 . 10 1 1 A 42 42 GLY HA3 H 42 4.175 4.187 -0.012 1
1 400 . 10 1 1 A 43 43 PRO CA C 43 63.252 62.423 0.829 1
1 401 . 10 1 1 A 43 43 PRO HA H 43 4.485 4.612 -0.127 1
1 402 . 10 1 1 A 43 43 PRO CB C 43 32.259 33.278 -1.019 1
1 411 . 10 1 1 A 45 45 SER CA C 45 58.354 57.721 0.633 1
1 412 . 10 1 1 A 45 45 SER HA H 45 4.511 4.877 -0.366 1
1 413 . 10 1 1 A 45 45 SER CB C 45 64.043 67.110 -3.067 1
1 416 . 10 1 1 A 45 45 SER C C 45 173.934 173.290 0.644 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.446 45.319 0.127 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 4.044 4.324 -0.280 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.517 173.633 0.884 1
1 4 . 11 1 1 A 8 8 THR N N 8 112.820 117.339 -4.519 1
1 5 . 11 1 1 A 8 8 THR H H 8 8.156 8.668 -0.512 1
1 6 . 11 1 1 A 8 8 THR CA C 8 61.841 62.831 -0.990 1
1 7 . 11 1 1 A 8 8 THR HA H 8 4.387 4.538 -0.151 1
1 8 . 11 1 1 A 8 8 THR CB C 8 69.860 71.746 -1.886 1
1 14 . 11 1 1 A 8 8 THR C C 8 175.270 173.773 1.497 1
1 15 . 11 1 1 A 9 9 GLY N N 9 110.629 108.767 1.862 1
1 16 . 11 1 1 A 9 9 GLY H H 9 8.224 7.792 0.432 1
1 17 . 11 1 1 A 9 9 GLY CA C 9 45.301 44.992 0.309 1
1 18 . 11 1 1 A 9 9 GLY HA2 H 9 3.936 4.264 -0.328 1
1 19 . 11 1 1 A 9 9 GLY HA3 H 9 3.974 4.267 -0.293 1
1 20 . 11 1 1 A 10 10 GLU N N 10 120.185 122.316 -2.131 1
1 21 . 11 1 1 A 10 10 GLU H H 10 8.244 9.026 -0.782 1
1 22 . 11 1 1 A 10 10 GLU CA C 10 56.913 55.757 1.156 1
1 23 . 11 1 1 A 10 10 GLU HA H 10 4.206 4.788 -0.582 1
1 24 . 11 1 1 A 10 10 GLU CB C 10 30.432 29.894 0.538 1
1 30 . 11 1 1 A 11 11 LYS N N 11 121.853 123.995 -2.142 1
1 31 . 11 1 1 A 11 11 LYS H H 11 8.314 8.141 0.173 1
1 32 . 11 1 1 A 11 11 LYS CA C 11 53.894 53.265 0.629 1
1 33 . 11 1 1 A 11 11 LYS HA H 11 4.547 4.825 -0.278 1
1 34 . 11 1 1 A 11 11 LYS CB C 11 32.861 33.516 -0.655 1
1 45 . 11 1 1 A 11 11 LYS C C 11 174.542 176.268 -1.726 1
1 46 . 11 1 1 A 12 12 PRO CA C 12 63.480 64.053 -0.573 1
1 47 . 11 1 1 A 12 12 PRO HA H 12 4.305 4.284 0.021 1
1 48 . 11 1 1 A 12 12 PRO CB C 12 32.288 31.405 0.883 1
1 57 . 11 1 1 A 12 12 PRO C C 12 176.266 175.991 0.275 1
1 58 . 11 1 1 A 13 13 PHE N N 13 118.209 118.009 0.200 1
1 59 . 11 1 1 A 13 13 PHE H H 13 8.027 7.568 0.459 1
1 60 . 11 1 1 A 13 13 PHE CA C 13 57.480 56.497 0.983 1
1 61 . 11 1 1 A 13 13 PHE HA H 13 4.646 5.180 -0.534 1
1 62 . 11 1 1 A 13 13 PHE CB C 13 39.143 41.219 -2.076 1
1 75 . 11 1 1 A 13 13 PHE C C 13 174.299 174.202 0.097 1
1 76 . 11 1 1 A 14 14 GLU N N 14 124.594 124.776 -0.182 1
1 77 . 11 1 1 A 14 14 GLU H H 14 8.557 9.080 -0.523 1
1 78 . 11 1 1 A 14 14 GLU CA C 14 55.040 54.609 0.431 1
1 79 . 11 1 1 A 14 14 GLU HA H 14 4.808 5.279 -0.471 1
1 80 . 11 1 1 A 14 14 GLU CB C 14 32.995 33.605 -0.610 1
1 86 . 11 1 1 A 14 14 GLU C C 14 175.064 175.174 -0.110 1
1 87 . 11 1 1 A 15 15 CYS N N 15 127.042 124.234 2.808 1
1 88 . 11 1 1 A 15 15 CYS H H 15 9.223 9.055 0.168 1
1 89 . 11 1 1 A 15 15 CYS CA C 15 59.448 58.587 0.861 1
1 90 . 11 1 1 A 15 15 CYS HA H 15 4.559 4.780 -0.221 1
1 91 . 11 1 1 A 15 15 CYS CB C 15 29.596 28.782 0.814 1
1 94 . 11 1 1 A 15 15 CYS C C 15 176.934 176.024 0.910 1
1 95 . 11 1 1 A 16 16 ALA N N 16 121.197 129.939 -8.742 1
1 96 . 11 1 1 A 16 16 ALA H H 16 9.386 8.752 0.634 1
1 97 . 11 1 1 A 16 16 ALA CA C 16 54.526 51.638 2.888 1
1 98 . 11 1 1 A 16 16 ALA HA H 16 4.243 4.618 -0.375 1
1 99 . 11 1 1 A 16 16 ALA CB C 16 18.918 19.209 -0.291 1
1 103 . 11 1 1 A 16 16 ALA C C 16 178.161 177.264 0.897 1
1 104 . 11 1 1 A 17 17 GLU N N 17 118.104 117.446 0.658 1
1 105 . 11 1 1 A 17 17 GLU H H 17 8.565 7.536 1.029 1
1 106 . 11 1 1 A 17 17 GLU CA C 17 58.342 57.156 1.186 1
1 107 . 11 1 1 A 17 17 GLU HA H 17 4.183 4.482 -0.299 1
1 108 . 11 1 1 A 17 17 GLU CB C 17 29.540 31.428 -1.888 1
1 114 . 11 1 1 A 17 17 GLU C C 17 177.383 177.845 -0.462 1
1 115 . 11 1 1 A 18 18 CYS N N 18 114.477 115.017 -0.540 1
1 116 . 11 1 1 A 18 18 CYS H H 18 7.922 7.851 0.071 1
1 117 . 11 1 1 A 18 18 CYS CA C 18 58.458 59.791 -1.333 1
1 118 . 11 1 1 A 18 18 CYS HA H 18 5.191 4.701 0.490 1
1 119 . 11 1 1 A 18 18 CYS CB C 18 32.615 29.758 2.857 1
1 122 . 11 1 1 A 18 18 CYS C C 18 176.327 175.367 0.960 1
1 123 . 11 1 1 A 19 19 GLY N N 19 113.483 109.558 3.925 1
1 124 . 11 1 1 A 19 19 GLY H H 19 8.278 8.216 0.062 1
1 125 . 11 1 1 A 19 19 GLY CA C 19 46.201 45.736 0.465 1
1 126 . 11 1 1 A 19 19 GLY HA2 H 19 4.245 4.065 0.180 1
1 127 . 11 1 1 A 19 19 GLY HA3 H 19 3.885 4.069 -0.184 1
1 128 . 11 1 1 A 19 19 GLY C C 19 173.983 174.071 -0.088 1
1 129 . 11 1 1 A 20 20 LYS N N 20 122.831 119.966 2.865 1
1 130 . 11 1 1 A 20 20 LYS H H 20 7.964 7.872 0.092 1
1 131 . 11 1 1 A 20 20 LYS CA C 20 57.920 54.537 3.383 1
1 132 . 11 1 1 A 20 20 LYS HA H 20 4.054 4.535 -0.481 1
1 133 . 11 1 1 A 20 20 LYS CB C 20 33.613 35.064 -1.451 1
1 145 . 11 1 1 A 20 20 LYS C C 20 174.311 175.344 -1.033 1
1 146 . 11 1 1 A 21 21 SER N N 21 115.065 120.608 -5.543 1
1 147 . 11 1 1 A 21 21 SER H H 21 7.780 8.736 -0.956 1
1 148 . 11 1 1 A 21 21 SER CA C 21 56.653 57.998 -1.345 1
1 149 . 11 1 1 A 21 21 SER HA H 21 5.311 4.972 0.339 1
1 150 . 11 1 1 A 21 21 SER CB C 21 66.094 64.635 1.459 1
1 153 . 11 1 1 A 21 21 SER C C 21 173.133 173.104 0.029 1
1 154 . 11 1 1 A 22 22 PHE N N 22 117.950 121.693 -3.743 1
1 155 . 11 1 1 A 22 22 PHE H H 22 8.696 8.627 0.069 1
1 156 . 11 1 1 A 22 22 PHE CA C 22 57.415 56.986 0.429 1
1 157 . 11 1 1 A 22 22 PHE HA H 22 4.824 4.935 -0.111 1
1 158 . 11 1 1 A 22 22 PHE CB C 22 43.800 42.798 1.002 1
1 171 . 11 1 1 A 22 22 PHE C C 22 175.440 175.832 -0.392 1
1 172 . 11 1 1 A 23 23 SER N N 23 116.091 116.365 -0.274 1
1 173 . 11 1 1 A 23 23 SER H H 23 9.091 8.455 0.636 1
1 174 . 11 1 1 A 23 23 SER CA C 23 61.106 61.642 -0.536 1
1 175 . 11 1 1 A 23 23 SER HA H 23 4.681 4.561 0.120 1
1 176 . 11 1 1 A 23 23 SER CB C 23 64.301 64.221 0.080 1
1 179 . 11 1 1 A 23 23 SER C C 23 173.898 174.637 -0.739 1
1 180 . 11 1 1 A 24 24 ILE N N 24 114.094 118.000 -3.906 1
1 181 . 11 1 1 A 24 24 ILE H H 24 7.324 7.624 -0.300 1
1 182 . 11 1 1 A 24 24 ILE CA C 24 59.668 58.812 0.856 1
1 183 . 11 1 1 A 24 24 ILE HA H 24 4.710 4.714 -0.004 1
1 184 . 11 1 1 A 24 24 ILE CB C 24 41.565 40.680 0.885 1
1 197 . 11 1 1 A 24 24 ILE C C 24 176.812 176.048 0.764 1
1 198 . 11 1 1 A 25 25 SER N N 25 122.408 118.763 3.645 1
1 199 . 11 1 1 A 25 25 SER H H 25 8.516 8.666 -0.150 1
1 200 . 11 1 1 A 25 25 SER CA C 25 61.632 60.951 0.681 1
1 201 . 11 1 1 A 25 25 SER HA H 25 2.913 3.051 -0.138 1
1 202 . 11 1 1 A 25 25 SER CB C 25 61.900 62.453 -0.553 1
1 205 . 11 1 1 A 25 25 SER C C 25 175.441 176.211 -0.770 1
1 206 . 11 1 1 A 26 26 SER CA C 26 60.783 62.011 -1.228 1
1 207 . 11 1 1 A 26 26 SER HA H 26 4.116 3.986 0.130 1
1 208 . 11 1 1 A 26 26 SER CB C 26 61.616 62.567 -0.951 1
1 211 . 11 1 1 A 26 26 SER C C 26 177.043 176.800 0.243 1
1 212 . 11 1 1 A 27 27 GLN N N 27 120.773 120.571 0.202 1
1 213 . 11 1 1 A 27 27 GLN H H 27 6.969 8.215 -1.246 1
1 214 . 11 1 1 A 27 27 GLN CA C 27 57.897 58.956 -1.059 1
1 215 . 11 1 1 A 27 27 GLN HA H 27 4.039 3.892 0.147 1
1 216 . 11 1 1 A 27 27 GLN CB C 27 28.426 28.171 0.255 1
1 225 . 11 1 1 A 27 27 GLN C C 27 178.938 178.134 0.804 1
1 226 . 11 1 1 A 28 28 LEU N N 28 120.821 121.435 -0.614 1
1 227 . 11 1 1 A 28 28 LEU H H 28 6.728 7.916 -1.188 1
1 228 . 11 1 1 A 28 28 LEU CA C 28 57.617 57.245 0.372 1
1 229 . 11 1 1 A 28 28 LEU HA H 28 3.384 2.785 0.599 1
1 230 . 11 1 1 A 28 28 LEU CB C 28 40.143 41.151 -1.008 1
1 243 . 11 1 1 A 28 28 LEU C C 28 177.298 177.967 -0.669 1
1 244 . 11 1 1 A 29 29 ALA N N 29 121.094 120.838 0.256 1
1 245 . 11 1 1 A 29 29 ALA H H 29 7.783 8.013 -0.230 1
1 246 . 11 1 1 A 29 29 ALA CA C 29 55.263 55.237 0.026 1
1 247 . 11 1 1 A 29 29 ALA HA H 29 4.170 3.968 0.202 1
1 248 . 11 1 1 A 29 29 ALA CB C 29 17.736 18.501 -0.765 1
1 252 . 11 1 1 A 29 29 ALA C C 29 180.735 180.143 0.592 1
1 253 . 11 1 1 A 30 30 THR N N 30 113.821 113.717 0.104 1
1 254 . 11 1 1 A 30 30 THR H H 30 7.746 7.988 -0.242 1
1 255 . 11 1 1 A 30 30 THR CA C 30 66.306 65.820 0.486 1
1 256 . 11 1 1 A 30 30 THR HA H 30 3.817 3.953 -0.136 1
1 257 . 11 1 1 A 30 30 THR CB C 30 68.819 68.672 0.147 1
1 263 . 11 1 1 A 30 30 THR C C 30 176.566 176.558 0.008 1
1 264 . 11 1 1 A 31 31 HIS N N 31 121.819 120.268 1.551 1
1 265 . 11 1 1 A 31 31 HIS H H 31 7.543 7.808 -0.265 1
1 266 . 11 1 1 A 31 31 HIS CA C 31 59.405 59.118 0.287 1
1 267 . 11 1 1 A 31 31 HIS HA H 31 4.166 4.208 -0.042 1
1 268 . 11 1 1 A 31 31 HIS CB C 31 28.632 30.141 -1.509 1
1 275 . 11 1 1 A 31 31 HIS C C 31 176.084 177.194 -1.110 1
1 276 . 11 1 1 A 32 32 GLN N N 32 115.014 117.746 -2.732 1
1 277 . 11 1 1 A 32 32 GLN H H 32 8.439 8.577 -0.138 1
1 278 . 11 1 1 A 32 32 GLN CA C 32 59.346 59.286 0.060 1
1 279 . 11 1 1 A 32 32 GLN HA H 32 3.717 3.907 -0.190 1
1 280 . 11 1 1 A 32 32 GLN CB C 32 28.356 28.346 0.010 1
1 289 . 11 1 1 A 32 32 GLN C C 32 177.457 178.647 -1.190 1
1 290 . 11 1 1 A 33 33 ARG N N 33 117.225 119.957 -2.732 1
1 291 . 11 1 1 A 33 33 ARG H H 33 7.124 7.752 -0.628 1
1 292 . 11 1 1 A 33 33 ARG CA C 33 58.406 58.951 -0.545 1
1 293 . 11 1 1 A 33 33 ARG HA H 33 4.151 3.974 0.177 1
1 294 . 11 1 1 A 33 33 ARG CB C 33 29.973 29.838 0.135 1
1 303 . 11 1 1 A 33 33 ARG C C 33 178.610 179.006 -0.396 1
1 304 . 11 1 1 A 34 34 ILE N N 34 116.430 117.646 -1.216 1
1 305 . 11 1 1 A 34 34 ILE H H 34 7.824 7.908 -0.084 1
1 306 . 11 1 1 A 34 34 ILE CA C 34 63.156 63.595 -0.439 1
1 307 . 11 1 1 A 34 34 ILE HA H 34 3.975 3.829 0.146 1
1 308 . 11 1 1 A 34 34 ILE CB C 34 37.697 37.096 0.601 1
1 321 . 11 1 1 A 34 34 ILE C C 34 177.432 177.918 -0.486 1
1 322 . 11 1 1 A 35 35 HIS N N 35 117.622 119.195 -1.573 1
1 323 . 11 1 1 A 35 35 HIS H H 35 7.205 7.596 -0.391 1
1 324 . 11 1 1 A 35 35 HIS CA C 35 55.332 59.150 -3.818 1
1 325 . 11 1 1 A 35 35 HIS HA H 35 4.866 4.280 0.586 1
1 326 . 11 1 1 A 35 35 HIS CB C 35 28.598 30.924 -2.326 1
1 333 . 11 1 1 A 35 35 HIS C C 35 175.877 175.634 0.243 1
1 334 . 11 1 1 A 36 36 THR N N 36 111.682 115.099 -3.417 1
1 335 . 11 1 1 A 36 36 THR H H 36 7.791 7.532 0.259 1
1 336 . 11 1 1 A 36 36 THR CA C 36 62.540 63.411 -0.871 1
1 337 . 11 1 1 A 36 36 THR HA H 36 4.366 3.958 0.408 1
1 338 . 11 1 1 A 36 36 THR CB C 36 69.869 68.506 1.363 1
1 344 . 11 1 1 A 36 36 THR C C 36 175.490 174.084 1.406 1
1 345 . 11 1 1 A 37 37 GLY N N 37 111.018 113.703 -2.685 1
1 346 . 11 1 1 A 37 37 GLY H H 37 8.462 8.405 0.057 1
1 347 . 11 1 1 A 37 37 GLY CA C 37 45.323 45.640 -0.317 1
1 348 . 11 1 1 A 37 37 GLY HA2 H 37 3.967 4.102 -0.135 1
1 349 . 11 1 1 A 37 37 GLY HA3 H 37 4.042 4.110 -0.068 1
1 350 . 11 1 1 A 37 37 GLY C C 37 174.068 173.008 1.060 1
1 351 . 11 1 1 A 38 38 GLU N N 38 120.568 124.169 -3.601 1
1 352 . 11 1 1 A 38 38 GLU H H 38 8.092 8.620 -0.528 1
1 353 . 11 1 1 A 38 38 GLU CA C 38 56.475 57.817 -1.342 1
1 354 . 11 1 1 A 38 38 GLU HA H 38 4.262 4.229 0.033 1
1 355 . 11 1 1 A 38 38 GLU CB C 38 30.555 30.208 0.347 1
1 361 . 11 1 1 A 38 38 GLU C C 38 176.242 175.981 0.261 1
1 362 . 11 1 1 A 39 39 LYS N N 39 123.829 122.720 1.109 1
1 363 . 11 1 1 A 39 39 LYS H H 39 8.398 8.533 -0.135 1
1 364 . 11 1 1 A 39 39 LYS CA C 39 54.142 53.088 1.054 1
1 365 . 11 1 1 A 39 39 LYS HA H 39 4.624 4.637 -0.013 1
1 366 . 11 1 1 A 39 39 LYS CB C 39 32.528 36.691 -4.163 1
1 378 . 11 1 1 A 40 40 PRO CA C 40 63.167 62.394 0.773 1
1 379 . 11 1 1 A 40 40 PRO HA H 40 4.470 4.642 -0.172 1
1 380 . 11 1 1 A 40 40 PRO CB C 40 32.193 30.848 1.345 1
1 389 . 11 1 1 A 40 40 PRO C C 40 177.019 177.709 -0.690 1
1 390 . 11 1 1 A 41 41 SER N N 41 116.494 118.457 -1.963 1
1 391 . 11 1 1 A 41 41 SER H H 41 8.475 8.796 -0.321 1
1 392 . 11 1 1 A 41 41 SER CA C 41 58.355 60.945 -2.590 1
1 393 . 11 1 1 A 41 41 SER HA H 41 4.472 4.214 0.258 1
1 394 . 11 1 1 A 41 41 SER CB C 41 64.047 63.497 0.550 1
1 396 . 11 1 1 A 41 41 SER C C 41 174.761 174.644 0.117 1
1 397 . 11 1 1 A 42 42 GLY CA C 42 44.674 44.167 0.507 1
1 398 . 11 1 1 A 42 42 GLY HA2 H 42 4.117 4.101 0.016 1
1 399 . 11 1 1 A 42 42 GLY HA3 H 42 4.175 4.101 0.074 1
1 400 . 11 1 1 A 43 43 PRO CA C 43 63.252 62.798 0.454 1
1 401 . 11 1 1 A 43 43 PRO HA H 43 4.485 4.341 0.144 1
1 402 . 11 1 1 A 43 43 PRO CB C 43 32.259 32.538 -0.279 1
1 411 . 11 1 1 A 45 45 SER CA C 45 58.354 57.838 0.516 1
1 412 . 11 1 1 A 45 45 SER HA H 45 4.511 4.759 -0.248 1
1 413 . 11 1 1 A 45 45 SER CB C 45 64.043 62.685 1.358 1
1 416 . 11 1 1 A 45 45 SER C C 45 173.934 174.968 -1.034 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.446 44.721 0.725 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 4.044 4.218 -0.174 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.517 172.201 2.316 1
1 4 . 12 1 1 A 8 8 THR N N 8 112.820 118.775 -5.955 1
1 5 . 12 1 1 A 8 8 THR H H 8 8.156 8.831 -0.675 1
1 6 . 12 1 1 A 8 8 THR CA C 8 61.841 60.895 0.946 1
1 7 . 12 1 1 A 8 8 THR HA H 8 4.387 4.705 -0.318 1
1 8 . 12 1 1 A 8 8 THR CB C 8 69.860 69.716 0.144 1
1 14 . 12 1 1 A 8 8 THR C C 8 175.270 173.251 2.019 1
1 15 . 12 1 1 A 9 9 GLY N N 9 110.629 111.838 -1.209 1
1 16 . 12 1 1 A 9 9 GLY H H 9 8.224 8.196 0.028 1
1 17 . 12 1 1 A 9 9 GLY CA C 9 45.301 44.867 0.434 1
1 18 . 12 1 1 A 9 9 GLY HA2 H 9 3.936 4.231 -0.295 1
1 19 . 12 1 1 A 9 9 GLY HA3 H 9 3.974 4.234 -0.260 1
1 20 . 12 1 1 A 10 10 GLU N N 10 120.185 125.850 -5.665 1
1 21 . 12 1 1 A 10 10 GLU H H 10 8.244 9.209 -0.965 1
1 22 . 12 1 1 A 10 10 GLU CA C 10 56.913 55.097 1.816 1
1 23 . 12 1 1 A 10 10 GLU HA H 10 4.206 4.762 -0.556 1
1 24 . 12 1 1 A 10 10 GLU CB C 10 30.432 30.542 -0.110 1
1 30 . 12 1 1 A 11 11 LYS N N 11 121.853 122.503 -0.650 1
1 31 . 12 1 1 A 11 11 LYS H H 11 8.314 7.366 0.948 1
1 32 . 12 1 1 A 11 11 LYS CA C 11 53.894 53.479 0.415 1
1 33 . 12 1 1 A 11 11 LYS HA H 11 4.547 4.656 -0.109 1
1 34 . 12 1 1 A 11 11 LYS CB C 11 32.861 32.863 -0.002 1
1 45 . 12 1 1 A 11 11 LYS C C 11 174.542 176.403 -1.861 1
1 46 . 12 1 1 A 12 12 PRO CA C 12 63.480 64.412 -0.932 1
1 47 . 12 1 1 A 12 12 PRO HA H 12 4.305 4.337 -0.032 1
1 48 . 12 1 1 A 12 12 PRO CB C 12 32.288 31.839 0.449 1
1 57 . 12 1 1 A 12 12 PRO C C 12 176.266 176.061 0.205 1
1 58 . 12 1 1 A 13 13 PHE N N 13 118.209 118.009 0.200 1
1 59 . 12 1 1 A 13 13 PHE H H 13 8.027 7.662 0.365 1
1 60 . 12 1 1 A 13 13 PHE CA C 13 57.480 56.823 0.657 1
1 61 . 12 1 1 A 13 13 PHE HA H 13 4.646 5.255 -0.609 1
1 62 . 12 1 1 A 13 13 PHE CB C 13 39.143 42.144 -3.001 1
1 75 . 12 1 1 A 13 13 PHE C C 13 174.299 174.275 0.024 1
1 76 . 12 1 1 A 14 14 GLU N N 14 124.594 123.761 0.833 1
1 77 . 12 1 1 A 14 14 GLU H H 14 8.557 8.863 -0.306 1
1 78 . 12 1 1 A 14 14 GLU CA C 14 55.040 55.064 -0.024 1
1 79 . 12 1 1 A 14 14 GLU HA H 14 4.808 5.072 -0.264 1
1 80 . 12 1 1 A 14 14 GLU CB C 14 32.995 33.780 -0.785 1
1 86 . 12 1 1 A 14 14 GLU C C 14 175.064 175.317 -0.253 1
1 87 . 12 1 1 A 15 15 CYS N N 15 127.042 125.626 1.416 1
1 88 . 12 1 1 A 15 15 CYS H H 15 9.223 9.508 -0.285 1
1 89 . 12 1 1 A 15 15 CYS CA C 15 59.448 59.854 -0.406 1
1 90 . 12 1 1 A 15 15 CYS HA H 15 4.559 4.669 -0.110 1
1 91 . 12 1 1 A 15 15 CYS CB C 15 29.596 28.355 1.241 1
1 94 . 12 1 1 A 15 15 CYS C C 15 176.934 175.235 1.699 1
1 95 . 12 1 1 A 16 16 ALA N N 16 121.197 128.760 -7.563 1
1 96 . 12 1 1 A 16 16 ALA H H 16 9.386 8.586 0.800 1
1 97 . 12 1 1 A 16 16 ALA CA C 16 54.526 53.085 1.441 1
1 98 . 12 1 1 A 16 16 ALA HA H 16 4.243 4.277 -0.034 1
1 99 . 12 1 1 A 16 16 ALA CB C 16 18.918 19.520 -0.602 1
1 103 . 12 1 1 A 16 16 ALA C C 16 178.161 179.009 -0.848 1
1 104 . 12 1 1 A 17 17 GLU N N 17 118.104 118.895 -0.791 1
1 105 . 12 1 1 A 17 17 GLU H H 17 8.565 7.743 0.822 1
1 106 . 12 1 1 A 17 17 GLU CA C 17 58.342 59.369 -1.027 1
1 107 . 12 1 1 A 17 17 GLU HA H 17 4.183 3.872 0.311 1
1 108 . 12 1 1 A 17 17 GLU CB C 17 29.540 28.548 0.992 1
1 114 . 12 1 1 A 17 17 GLU C C 17 177.383 177.991 -0.608 1
1 115 . 12 1 1 A 18 18 CYS N N 18 114.477 114.976 -0.499 1
1 116 . 12 1 1 A 18 18 CYS H H 18 7.922 7.487 0.435 1
1 117 . 12 1 1 A 18 18 CYS CA C 18 58.458 59.651 -1.193 1
1 118 . 12 1 1 A 18 18 CYS HA H 18 5.191 4.632 0.559 1
1 119 . 12 1 1 A 18 18 CYS CB C 18 32.615 29.837 2.778 1
1 122 . 12 1 1 A 18 18 CYS C C 18 176.327 175.250 1.077 1
1 123 . 12 1 1 A 19 19 GLY N N 19 113.483 110.289 3.194 1
1 124 . 12 1 1 A 19 19 GLY H H 19 8.278 8.054 0.224 1
1 125 . 12 1 1 A 19 19 GLY CA C 19 46.201 45.217 0.984 1
1 126 . 12 1 1 A 19 19 GLY HA2 H 19 4.245 4.072 0.173 1
1 127 . 12 1 1 A 19 19 GLY HA3 H 19 3.885 4.082 -0.197 1
1 128 . 12 1 1 A 19 19 GLY C C 19 173.983 174.296 -0.313 1
1 129 . 12 1 1 A 20 20 LYS N N 20 122.831 119.601 3.230 1
1 130 . 12 1 1 A 20 20 LYS H H 20 7.964 7.864 0.100 1
1 131 . 12 1 1 A 20 20 LYS CA C 20 57.920 54.949 2.971 1
1 132 . 12 1 1 A 20 20 LYS HA H 20 4.054 4.562 -0.508 1
1 133 . 12 1 1 A 20 20 LYS CB C 20 33.613 34.323 -0.710 1
1 145 . 12 1 1 A 20 20 LYS C C 20 174.311 175.436 -1.125 1
1 146 . 12 1 1 A 21 21 SER N N 21 115.065 112.651 2.414 1
1 147 . 12 1 1 A 21 21 SER H H 21 7.780 8.525 -0.745 1
1 148 . 12 1 1 A 21 21 SER CA C 21 56.653 56.208 0.445 1
1 149 . 12 1 1 A 21 21 SER HA H 21 5.311 5.435 -0.124 1
1 150 . 12 1 1 A 21 21 SER CB C 21 66.094 66.748 -0.654 1
1 153 . 12 1 1 A 21 21 SER C C 21 173.133 172.776 0.357 1
1 154 . 12 1 1 A 22 22 PHE N N 22 117.950 117.675 0.275 1
1 155 . 12 1 1 A 22 22 PHE H H 22 8.696 8.444 0.252 1
1 156 . 12 1 1 A 22 22 PHE CA C 22 57.415 56.903 0.512 1
1 157 . 12 1 1 A 22 22 PHE HA H 22 4.824 5.006 -0.182 1
1 158 . 12 1 1 A 22 22 PHE CB C 22 43.800 43.665 0.135 1
1 171 . 12 1 1 A 22 22 PHE C C 22 175.440 175.495 -0.055 1
1 172 . 12 1 1 A 23 23 SER N N 23 116.091 116.317 -0.226 1
1 173 . 12 1 1 A 23 23 SER H H 23 9.091 8.649 0.442 1
1 174 . 12 1 1 A 23 23 SER CA C 23 61.106 60.734 0.372 1
1 175 . 12 1 1 A 23 23 SER HA H 23 4.681 4.550 0.131 1
1 176 . 12 1 1 A 23 23 SER CB C 23 64.301 63.724 0.577 1
1 179 . 12 1 1 A 23 23 SER C C 23 173.898 174.546 -0.648 1
1 180 . 12 1 1 A 24 24 ILE N N 24 114.094 115.991 -1.897 1
1 181 . 12 1 1 A 24 24 ILE H H 24 7.324 7.420 -0.096 1
1 182 . 12 1 1 A 24 24 ILE CA C 24 59.668 58.221 1.447 1
1 183 . 12 1 1 A 24 24 ILE HA H 24 4.710 4.809 -0.099 1
1 184 . 12 1 1 A 24 24 ILE CB C 24 41.565 41.650 -0.085 1
1 197 . 12 1 1 A 24 24 ILE C C 24 176.812 175.289 1.523 1
1 198 . 12 1 1 A 25 25 SER N N 25 122.408 116.244 6.164 1
1 199 . 12 1 1 A 25 25 SER H H 25 8.516 8.215 0.301 1
1 200 . 12 1 1 A 25 25 SER CA C 25 61.632 60.965 0.667 1
1 201 . 12 1 1 A 25 25 SER HA H 25 2.913 3.183 -0.270 1
1 202 . 12 1 1 A 25 25 SER CB C 25 61.900 62.265 -0.365 1
1 205 . 12 1 1 A 25 25 SER C C 25 175.441 176.112 -0.671 1
1 206 . 12 1 1 A 26 26 SER CA C 26 60.783 61.917 -1.134 1
1 207 . 12 1 1 A 26 26 SER HA H 26 4.116 4.049 0.067 1
1 208 . 12 1 1 A 26 26 SER CB C 26 61.616 63.031 -1.415 1
1 211 . 12 1 1 A 26 26 SER C C 26 177.043 176.435 0.608 1
1 212 . 12 1 1 A 27 27 GLN N N 27 120.773 120.762 0.011 1
1 213 . 12 1 1 A 27 27 GLN H H 27 6.969 7.612 -0.643 1
1 214 . 12 1 1 A 27 27 GLN CA C 27 57.897 58.176 -0.279 1
1 215 . 12 1 1 A 27 27 GLN HA H 27 4.039 4.132 -0.093 1
1 216 . 12 1 1 A 27 27 GLN CB C 27 28.426 28.531 -0.105 1
1 225 . 12 1 1 A 27 27 GLN C C 27 178.938 177.857 1.081 1
1 226 . 12 1 1 A 28 28 LEU N N 28 120.821 121.598 -0.777 1
1 227 . 12 1 1 A 28 28 LEU H H 28 6.728 7.588 -0.860 1
1 228 . 12 1 1 A 28 28 LEU CA C 28 57.617 57.107 0.510 1
1 229 . 12 1 1 A 28 28 LEU HA H 28 3.384 2.258 1.126 1
1 230 . 12 1 1 A 28 28 LEU CB C 28 40.143 40.786 -0.643 1
1 243 . 12 1 1 A 28 28 LEU C C 28 177.298 178.055 -0.757 1
1 244 . 12 1 1 A 29 29 ALA N N 29 121.094 120.937 0.157 1
1 245 . 12 1 1 A 29 29 ALA H H 29 7.783 8.274 -0.491 1
1 246 . 12 1 1 A 29 29 ALA CA C 29 55.263 55.162 0.101 1
1 247 . 12 1 1 A 29 29 ALA HA H 29 4.170 3.954 0.216 1
1 248 . 12 1 1 A 29 29 ALA CB C 29 17.736 18.337 -0.601 1
1 252 . 12 1 1 A 29 29 ALA C C 29 180.735 179.877 0.858 1
1 253 . 12 1 1 A 30 30 THR N N 30 113.821 113.814 0.007 1
1 254 . 12 1 1 A 30 30 THR H H 30 7.746 7.472 0.274 1
1 255 . 12 1 1 A 30 30 THR CA C 30 66.306 65.180 1.126 1
1 256 . 12 1 1 A 30 30 THR HA H 30 3.817 3.966 -0.149 1
1 257 . 12 1 1 A 30 30 THR CB C 30 68.819 68.561 0.258 1
1 263 . 12 1 1 A 30 30 THR C C 30 176.566 176.874 -0.308 1
1 264 . 12 1 1 A 31 31 HIS N N 31 121.819 120.173 1.646 1
1 265 . 12 1 1 A 31 31 HIS H H 31 7.543 7.660 -0.117 1
1 266 . 12 1 1 A 31 31 HIS CA C 31 59.405 58.955 0.450 1
1 267 . 12 1 1 A 31 31 HIS HA H 31 4.166 4.218 -0.052 1
1 268 . 12 1 1 A 31 31 HIS CB C 31 28.632 30.227 -1.595 1
1 275 . 12 1 1 A 31 31 HIS C C 31 176.084 176.978 -0.894 1
1 276 . 12 1 1 A 32 32 GLN N N 32 115.014 117.726 -2.712 1
1 277 . 12 1 1 A 32 32 GLN H H 32 8.439 8.265 0.174 1
1 278 . 12 1 1 A 32 32 GLN CA C 32 59.346 59.173 0.173 1
1 279 . 12 1 1 A 32 32 GLN HA H 32 3.717 3.805 -0.088 1
1 280 . 12 1 1 A 32 32 GLN CB C 32 28.356 28.353 0.003 1
1 289 . 12 1 1 A 32 32 GLN C C 32 177.457 178.274 -0.817 1
1 290 . 12 1 1 A 33 33 ARG N N 33 117.225 117.609 -0.384 1
1 291 . 12 1 1 A 33 33 ARG H H 33 7.124 8.008 -0.884 1
1 292 . 12 1 1 A 33 33 ARG CA C 33 58.406 58.726 -0.320 1
1 293 . 12 1 1 A 33 33 ARG HA H 33 4.151 4.105 0.046 1
1 294 . 12 1 1 A 33 33 ARG CB C 33 29.973 29.849 0.124 1
1 303 . 12 1 1 A 33 33 ARG C C 33 178.610 177.656 0.954 1
1 304 . 12 1 1 A 34 34 ILE N N 34 116.430 115.883 0.547 1
1 305 . 12 1 1 A 34 34 ILE H H 34 7.824 7.759 0.065 1
1 306 . 12 1 1 A 34 34 ILE CA C 34 63.156 63.977 -0.821 1
1 307 . 12 1 1 A 34 34 ILE HA H 34 3.975 3.782 0.193 1
1 308 . 12 1 1 A 34 34 ILE CB C 34 37.697 36.868 0.829 1
1 321 . 12 1 1 A 34 34 ILE C C 34 177.432 177.973 -0.541 1
1 322 . 12 1 1 A 35 35 HIS N N 35 117.622 120.610 -2.988 1
1 323 . 12 1 1 A 35 35 HIS H H 35 7.205 7.990 -0.785 1
1 324 . 12 1 1 A 35 35 HIS CA C 35 55.332 59.786 -4.454 1
1 325 . 12 1 1 A 35 35 HIS HA H 35 4.866 4.236 0.630 1
1 326 . 12 1 1 A 35 35 HIS CB C 35 28.598 30.913 -2.315 1
1 333 . 12 1 1 A 35 35 HIS C C 35 175.877 176.348 -0.471 1
1 334 . 12 1 1 A 36 36 THR N N 36 111.682 109.845 1.837 1
1 335 . 12 1 1 A 36 36 THR H H 36 7.791 7.674 0.117 1
1 336 . 12 1 1 A 36 36 THR CA C 36 62.540 63.570 -1.030 1
1 337 . 12 1 1 A 36 36 THR HA H 36 4.366 4.174 0.192 1
1 338 . 12 1 1 A 36 36 THR CB C 36 69.869 69.266 0.603 1
1 344 . 12 1 1 A 36 36 THR C C 36 175.490 176.697 -1.207 1
1 345 . 12 1 1 A 37 37 GLY N N 37 111.018 111.433 -0.415 1
1 346 . 12 1 1 A 37 37 GLY H H 37 8.462 8.182 0.280 1
1 347 . 12 1 1 A 37 37 GLY CA C 37 45.323 46.928 -1.605 1
1 348 . 12 1 1 A 37 37 GLY HA2 H 37 3.967 3.678 0.289 1
1 349 . 12 1 1 A 37 37 GLY HA3 H 37 4.042 3.689 0.353 1
1 350 . 12 1 1 A 37 37 GLY C C 37 174.068 174.997 -0.929 1
1 351 . 12 1 1 A 38 38 GLU N N 38 120.568 122.671 -2.103 1
1 352 . 12 1 1 A 38 38 GLU H H 38 8.092 8.068 0.024 1
1 353 . 12 1 1 A 38 38 GLU CA C 38 56.475 55.257 1.218 1
1 354 . 12 1 1 A 38 38 GLU HA H 38 4.262 4.526 -0.264 1
1 355 . 12 1 1 A 38 38 GLU CB C 38 30.555 29.585 0.970 1
1 361 . 12 1 1 A 38 38 GLU C C 38 176.242 175.273 0.969 1
1 362 . 12 1 1 A 39 39 LYS N N 39 123.829 125.839 -2.010 1
1 363 . 12 1 1 A 39 39 LYS H H 39 8.398 8.121 0.277 1
1 364 . 12 1 1 A 39 39 LYS CA C 39 54.142 53.832 0.310 1
1 365 . 12 1 1 A 39 39 LYS HA H 39 4.624 4.637 -0.013 1
1 366 . 12 1 1 A 39 39 LYS CB C 39 32.528 35.901 -3.373 1
1 378 . 12 1 1 A 40 40 PRO CA C 40 63.167 62.718 0.449 1
1 379 . 12 1 1 A 40 40 PRO HA H 40 4.470 4.585 -0.115 1
1 380 . 12 1 1 A 40 40 PRO CB C 40 32.193 31.809 0.384 1
1 389 . 12 1 1 A 40 40 PRO C C 40 177.019 177.287 -0.268 1
1 390 . 12 1 1 A 41 41 SER N N 41 116.494 115.929 0.565 1
1 391 . 12 1 1 A 41 41 SER H H 41 8.475 8.550 -0.075 1
1 392 . 12 1 1 A 41 41 SER CA C 41 58.355 59.538 -1.183 1
1 393 . 12 1 1 A 41 41 SER HA H 41 4.472 4.269 0.203 1
1 394 . 12 1 1 A 41 41 SER CB C 41 64.047 62.984 1.063 1
1 396 . 12 1 1 A 41 41 SER C C 41 174.761 174.798 -0.037 1
1 397 . 12 1 1 A 42 42 GLY CA C 42 44.674 46.903 -2.229 1
1 398 . 12 1 1 A 42 42 GLY HA2 H 42 4.117 3.921 0.196 1
1 399 . 12 1 1 A 42 42 GLY HA3 H 42 4.175 3.922 0.253 1
1 400 . 12 1 1 A 43 43 PRO CA C 43 63.252 64.704 -1.452 1
1 401 . 12 1 1 A 43 43 PRO HA H 43 4.485 4.485 0.000 1
1 402 . 12 1 1 A 43 43 PRO CB C 43 32.259 32.213 0.046 1
1 411 . 12 1 1 A 45 45 SER CA C 45 58.354 61.636 -3.282 1
1 412 . 12 1 1 A 45 45 SER HA H 45 4.511 4.198 0.313 1
1 413 . 12 1 1 A 45 45 SER CB C 45 64.043 63.407 0.636 1
1 416 . 12 1 1 A 45 45 SER C C 45 173.934 174.858 -0.924 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.446 44.531 0.915 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 4.044 4.267 -0.223 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.517 173.860 0.657 1
1 4 . 13 1 1 A 8 8 THR N N 8 112.820 117.913 -5.093 1
1 5 . 13 1 1 A 8 8 THR H H 8 8.156 8.561 -0.405 1
1 6 . 13 1 1 A 8 8 THR CA C 8 61.841 64.532 -2.691 1
1 7 . 13 1 1 A 8 8 THR HA H 8 4.387 4.414 -0.027 1
1 8 . 13 1 1 A 8 8 THR CB C 8 69.860 70.165 -0.305 1
1 14 . 13 1 1 A 8 8 THR C C 8 175.270 175.271 -0.001 1
1 15 . 13 1 1 A 9 9 GLY N N 9 110.629 109.287 1.342 1
1 16 . 13 1 1 A 9 9 GLY H H 9 8.224 7.738 0.486 1
1 17 . 13 1 1 A 9 9 GLY CA C 9 45.301 45.319 -0.018 1
1 18 . 13 1 1 A 9 9 GLY HA2 H 9 3.936 4.012 -0.076 1
1 19 . 13 1 1 A 9 9 GLY HA3 H 9 3.974 4.013 -0.039 1
1 20 . 13 1 1 A 10 10 GLU N N 10 120.185 117.936 2.249 1
1 21 . 13 1 1 A 10 10 GLU H H 10 8.244 8.780 -0.536 1
1 22 . 13 1 1 A 10 10 GLU CA C 10 56.913 54.377 2.536 1
1 23 . 13 1 1 A 10 10 GLU HA H 10 4.206 5.137 -0.931 1
1 24 . 13 1 1 A 10 10 GLU CB C 10 30.432 33.776 -3.344 1
1 30 . 13 1 1 A 11 11 LYS N N 11 121.853 120.696 1.157 1
1 31 . 13 1 1 A 11 11 LYS H H 11 8.314 8.584 -0.270 1
1 32 . 13 1 1 A 11 11 LYS CA C 11 53.894 53.044 0.850 1
1 33 . 13 1 1 A 11 11 LYS HA H 11 4.547 4.814 -0.267 1
1 34 . 13 1 1 A 11 11 LYS CB C 11 32.861 34.182 -1.321 1
1 45 . 13 1 1 A 11 11 LYS C C 11 174.542 176.157 -1.615 1
1 46 . 13 1 1 A 12 12 PRO CA C 12 63.480 63.925 -0.445 1
1 47 . 13 1 1 A 12 12 PRO HA H 12 4.305 4.290 0.015 1
1 48 . 13 1 1 A 12 12 PRO CB C 12 32.288 31.236 1.052 1
1 57 . 13 1 1 A 12 12 PRO C C 12 176.266 175.963 0.303 1
1 58 . 13 1 1 A 13 13 PHE N N 13 118.209 118.332 -0.123 1
1 59 . 13 1 1 A 13 13 PHE H H 13 8.027 7.527 0.500 1
1 60 . 13 1 1 A 13 13 PHE CA C 13 57.480 56.529 0.951 1
1 61 . 13 1 1 A 13 13 PHE HA H 13 4.646 5.098 -0.452 1
1 62 . 13 1 1 A 13 13 PHE CB C 13 39.143 40.207 -1.064 1
1 75 . 13 1 1 A 13 13 PHE C C 13 174.299 174.723 -0.424 1
1 76 . 13 1 1 A 14 14 GLU N N 14 124.594 120.961 3.633 1
1 77 . 13 1 1 A 14 14 GLU H H 14 8.557 9.028 -0.471 1
1 78 . 13 1 1 A 14 14 GLU CA C 14 55.040 54.933 0.107 1
1 79 . 13 1 1 A 14 14 GLU HA H 14 4.808 5.280 -0.472 1
1 80 . 13 1 1 A 14 14 GLU CB C 14 32.995 33.196 -0.201 1
1 86 . 13 1 1 A 14 14 GLU C C 14 175.064 174.808 0.256 1
1 87 . 13 1 1 A 15 15 CYS N N 15 127.042 124.389 2.653 1
1 88 . 13 1 1 A 15 15 CYS H H 15 9.223 9.378 -0.155 1
1 89 . 13 1 1 A 15 15 CYS CA C 15 59.448 60.001 -0.553 1
1 90 . 13 1 1 A 15 15 CYS HA H 15 4.559 4.457 0.102 1
1 91 . 13 1 1 A 15 15 CYS CB C 15 29.596 28.651 0.945 1
1 94 . 13 1 1 A 15 15 CYS C C 15 176.934 175.130 1.804 1
1 95 . 13 1 1 A 16 16 ALA N N 16 121.197 129.832 -8.635 1
1 96 . 13 1 1 A 16 16 ALA H H 16 9.386 8.954 0.432 1
1 97 . 13 1 1 A 16 16 ALA CA C 16 54.526 54.602 -0.076 1
1 98 . 13 1 1 A 16 16 ALA HA H 16 4.243 4.124 0.119 1
1 99 . 13 1 1 A 16 16 ALA CB C 16 18.918 18.835 0.083 1
1 103 . 13 1 1 A 16 16 ALA C C 16 178.161 179.286 -1.125 1
1 104 . 13 1 1 A 17 17 GLU N N 17 118.104 118.311 -0.207 1
1 105 . 13 1 1 A 17 17 GLU H H 17 8.565 8.281 0.284 1
1 106 . 13 1 1 A 17 17 GLU CA C 17 58.342 59.719 -1.377 1
1 107 . 13 1 1 A 17 17 GLU HA H 17 4.183 4.031 0.152 1
1 108 . 13 1 1 A 17 17 GLU CB C 17 29.540 28.892 0.648 1
1 114 . 13 1 1 A 17 17 GLU C C 17 177.383 178.525 -1.142 1
1 115 . 13 1 1 A 18 18 CYS N N 18 114.477 115.377 -0.900 1
1 116 . 13 1 1 A 18 18 CYS H H 18 7.922 7.908 0.014 1
1 117 . 13 1 1 A 18 18 CYS CA C 18 58.458 59.935 -1.477 1
1 118 . 13 1 1 A 18 18 CYS HA H 18 5.191 4.634 0.557 1
1 119 . 13 1 1 A 18 18 CYS CB C 18 32.615 29.456 3.159 1
1 122 . 13 1 1 A 18 18 CYS C C 18 176.327 175.325 1.002 1
1 123 . 13 1 1 A 19 19 GLY N N 19 113.483 109.862 3.621 1
1 124 . 13 1 1 A 19 19 GLY H H 19 8.278 8.188 0.090 1
1 125 . 13 1 1 A 19 19 GLY CA C 19 46.201 45.368 0.833 1
1 126 . 13 1 1 A 19 19 GLY HA2 H 19 4.245 4.048 0.197 1
1 127 . 13 1 1 A 19 19 GLY HA3 H 19 3.885 4.050 -0.165 1
1 128 . 13 1 1 A 19 19 GLY C C 19 173.983 174.308 -0.325 1
1 129 . 13 1 1 A 20 20 LYS N N 20 122.831 121.438 1.393 1
1 130 . 13 1 1 A 20 20 LYS H H 20 7.964 7.743 0.221 1
1 131 . 13 1 1 A 20 20 LYS CA C 20 57.920 54.869 3.051 1
1 132 . 13 1 1 A 20 20 LYS HA H 20 4.054 4.475 -0.421 1
1 133 . 13 1 1 A 20 20 LYS CB C 20 33.613 34.086 -0.473 1
1 145 . 13 1 1 A 20 20 LYS C C 20 174.311 175.633 -1.322 1
1 146 . 13 1 1 A 21 21 SER N N 21 115.065 119.066 -4.001 1
1 147 . 13 1 1 A 21 21 SER H H 21 7.780 8.470 -0.690 1
1 148 . 13 1 1 A 21 21 SER CA C 21 56.653 56.175 0.478 1
1 149 . 13 1 1 A 21 21 SER HA H 21 5.311 5.336 -0.025 1
1 150 . 13 1 1 A 21 21 SER CB C 21 66.094 65.425 0.669 1
1 153 . 13 1 1 A 21 21 SER C C 21 173.133 173.372 -0.239 1
1 154 . 13 1 1 A 22 22 PHE N N 22 117.950 118.414 -0.464 1
1 155 . 13 1 1 A 22 22 PHE H H 22 8.696 8.728 -0.032 1
1 156 . 13 1 1 A 22 22 PHE CA C 22 57.415 56.802 0.613 1
1 157 . 13 1 1 A 22 22 PHE HA H 22 4.824 4.943 -0.119 1
1 158 . 13 1 1 A 22 22 PHE CB C 22 43.800 43.645 0.155 1
1 171 . 13 1 1 A 22 22 PHE C C 22 175.440 175.673 -0.233 1
1 172 . 13 1 1 A 23 23 SER N N 23 116.091 116.623 -0.532 1
1 173 . 13 1 1 A 23 23 SER H H 23 9.091 9.067 0.024 1
1 174 . 13 1 1 A 23 23 SER CA C 23 61.106 60.847 0.259 1
1 175 . 13 1 1 A 23 23 SER HA H 23 4.681 4.568 0.113 1
1 176 . 13 1 1 A 23 23 SER CB C 23 64.301 63.986 0.315 1
1 179 . 13 1 1 A 23 23 SER C C 23 173.898 174.554 -0.656 1
1 180 . 13 1 1 A 24 24 ILE N N 24 114.094 116.882 -2.788 1
1 181 . 13 1 1 A 24 24 ILE H H 24 7.324 7.614 -0.290 1
1 182 . 13 1 1 A 24 24 ILE CA C 24 59.668 58.950 0.718 1
1 183 . 13 1 1 A 24 24 ILE HA H 24 4.710 4.543 0.167 1
1 184 . 13 1 1 A 24 24 ILE CB C 24 41.565 40.704 0.861 1
1 197 . 13 1 1 A 24 24 ILE C C 24 176.812 175.878 0.934 1
1 198 . 13 1 1 A 25 25 SER N N 25 122.408 120.024 2.384 1
1 199 . 13 1 1 A 25 25 SER H H 25 8.516 8.340 0.176 1
1 200 . 13 1 1 A 25 25 SER CA C 25 61.632 61.036 0.596 1
1 201 . 13 1 1 A 25 25 SER HA H 25 2.913 3.174 -0.261 1
1 202 . 13 1 1 A 25 25 SER CB C 25 61.900 62.544 -0.644 1
1 205 . 13 1 1 A 25 25 SER C C 25 175.441 176.194 -0.753 1
1 206 . 13 1 1 A 26 26 SER CA C 26 60.783 61.706 -0.923 1
1 207 . 13 1 1 A 26 26 SER HA H 26 4.116 3.966 0.150 1
1 208 . 13 1 1 A 26 26 SER CB C 26 61.616 63.034 -1.418 1
1 211 . 13 1 1 A 26 26 SER C C 26 177.043 177.116 -0.073 1
1 212 . 13 1 1 A 27 27 GLN N N 27 120.773 120.436 0.337 1
1 213 . 13 1 1 A 27 27 GLN H H 27 6.969 8.234 -1.265 1
1 214 . 13 1 1 A 27 27 GLN CA C 27 57.897 58.936 -1.039 1
1 215 . 13 1 1 A 27 27 GLN HA H 27 4.039 3.758 0.281 1
1 216 . 13 1 1 A 27 27 GLN CB C 27 28.426 28.077 0.349 1
1 225 . 13 1 1 A 27 27 GLN C C 27 178.938 177.973 0.965 1
1 226 . 13 1 1 A 28 28 LEU N N 28 120.821 121.480 -0.659 1
1 227 . 13 1 1 A 28 28 LEU H H 28 6.728 7.825 -1.097 1
1 228 . 13 1 1 A 28 28 LEU CA C 28 57.617 57.751 -0.134 1
1 229 . 13 1 1 A 28 28 LEU HA H 28 3.384 3.297 0.087 1
1 230 . 13 1 1 A 28 28 LEU CB C 28 40.143 41.574 -1.431 1
1 243 . 13 1 1 A 28 28 LEU C C 28 177.298 178.002 -0.704 1
1 244 . 13 1 1 A 29 29 ALA N N 29 121.094 120.354 0.740 1
1 245 . 13 1 1 A 29 29 ALA H H 29 7.783 8.168 -0.385 1
1 246 . 13 1 1 A 29 29 ALA CA C 29 55.263 55.212 0.051 1
1 247 . 13 1 1 A 29 29 ALA HA H 29 4.170 4.046 0.124 1
1 248 . 13 1 1 A 29 29 ALA CB C 29 17.736 18.584 -0.848 1
1 252 . 13 1 1 A 29 29 ALA C C 29 180.735 179.955 0.780 1
1 253 . 13 1 1 A 30 30 THR N N 30 113.821 114.328 -0.507 1
1 254 . 13 1 1 A 30 30 THR H H 30 7.746 8.122 -0.376 1
1 255 . 13 1 1 A 30 30 THR CA C 30 66.306 64.710 1.596 1
1 256 . 13 1 1 A 30 30 THR HA H 30 3.817 4.021 -0.204 1
1 257 . 13 1 1 A 30 30 THR CB C 30 68.819 68.230 0.589 1
1 263 . 13 1 1 A 30 30 THR C C 30 176.566 176.596 -0.030 1
1 264 . 13 1 1 A 31 31 HIS N N 31 121.819 121.062 0.757 1
1 265 . 13 1 1 A 31 31 HIS H H 31 7.543 8.063 -0.520 1
1 266 . 13 1 1 A 31 31 HIS CA C 31 59.405 59.099 0.306 1
1 267 . 13 1 1 A 31 31 HIS HA H 31 4.166 4.229 -0.063 1
1 268 . 13 1 1 A 31 31 HIS CB C 31 28.632 30.128 -1.496 1
1 275 . 13 1 1 A 31 31 HIS C C 31 176.084 177.281 -1.197 1
1 276 . 13 1 1 A 32 32 GLN N N 32 115.014 118.092 -3.078 1
1 277 . 13 1 1 A 32 32 GLN H H 32 8.439 8.631 -0.192 1
1 278 . 13 1 1 A 32 32 GLN CA C 32 59.346 59.185 0.161 1
1 279 . 13 1 1 A 32 32 GLN HA H 32 3.717 4.017 -0.300 1
1 280 . 13 1 1 A 32 32 GLN CB C 32 28.356 28.401 -0.045 1
1 289 . 13 1 1 A 32 32 GLN C C 32 177.457 178.475 -1.018 1
1 290 . 13 1 1 A 33 33 ARG N N 33 117.225 117.694 -0.469 1
1 291 . 13 1 1 A 33 33 ARG H H 33 7.124 7.792 -0.668 1
1 292 . 13 1 1 A 33 33 ARG CA C 33 58.406 58.768 -0.362 1
1 293 . 13 1 1 A 33 33 ARG HA H 33 4.151 4.089 0.062 1
1 294 . 13 1 1 A 33 33 ARG CB C 33 29.973 29.895 0.078 1
1 303 . 13 1 1 A 33 33 ARG C C 33 178.610 177.738 0.872 1
1 304 . 13 1 1 A 34 34 ILE N N 34 116.430 115.957 0.473 1
1 305 . 13 1 1 A 34 34 ILE H H 34 7.824 7.869 -0.045 1
1 306 . 13 1 1 A 34 34 ILE CA C 34 63.156 64.213 -1.057 1
1 307 . 13 1 1 A 34 34 ILE HA H 34 3.975 3.778 0.197 1
1 308 . 13 1 1 A 34 34 ILE CB C 34 37.697 37.010 0.687 1
1 321 . 13 1 1 A 34 34 ILE C C 34 177.432 178.155 -0.723 1
1 322 . 13 1 1 A 35 35 HIS N N 35 117.622 119.525 -1.903 1
1 323 . 13 1 1 A 35 35 HIS H H 35 7.205 7.919 -0.714 1
1 324 . 13 1 1 A 35 35 HIS CA C 35 55.332 60.199 -4.867 1
1 325 . 13 1 1 A 35 35 HIS HA H 35 4.866 4.297 0.569 1
1 326 . 13 1 1 A 35 35 HIS CB C 35 28.598 30.604 -2.006 1
1 333 . 13 1 1 A 35 35 HIS C C 35 175.877 175.798 0.079 1
1 334 . 13 1 1 A 36 36 THR N N 36 111.682 114.767 -3.085 1
1 335 . 13 1 1 A 36 36 THR H H 36 7.791 7.649 0.142 1
1 336 . 13 1 1 A 36 36 THR CA C 36 62.540 63.672 -1.132 1
1 337 . 13 1 1 A 36 36 THR HA H 36 4.366 4.029 0.337 1
1 338 . 13 1 1 A 36 36 THR CB C 36 69.869 69.318 0.551 1
1 344 . 13 1 1 A 36 36 THR C C 36 175.490 175.753 -0.263 1
1 345 . 13 1 1 A 37 37 GLY N N 37 111.018 115.772 -4.754 1
1 346 . 13 1 1 A 37 37 GLY H H 37 8.462 8.845 -0.383 1
1 347 . 13 1 1 A 37 37 GLY CA C 37 45.323 45.875 -0.552 1
1 348 . 13 1 1 A 37 37 GLY HA2 H 37 3.967 4.086 -0.119 1
1 349 . 13 1 1 A 37 37 GLY HA3 H 37 4.042 4.091 -0.049 1
1 350 . 13 1 1 A 37 37 GLY C C 37 174.068 173.585 0.483 1
1 351 . 13 1 1 A 38 38 GLU N N 38 120.568 118.494 2.074 1
1 352 . 13 1 1 A 38 38 GLU H H 38 8.092 8.385 -0.293 1
1 353 . 13 1 1 A 38 38 GLU CA C 38 56.475 54.388 2.087 1
1 354 . 13 1 1 A 38 38 GLU HA H 38 4.262 4.737 -0.475 1
1 355 . 13 1 1 A 38 38 GLU CB C 38 30.555 31.073 -0.518 1
1 361 . 13 1 1 A 38 38 GLU C C 38 176.242 176.099 0.143 1
1 362 . 13 1 1 A 39 39 LYS N N 39 123.829 120.645 3.184 1
1 363 . 13 1 1 A 39 39 LYS H H 39 8.398 8.460 -0.062 1
1 364 . 13 1 1 A 39 39 LYS CA C 39 54.142 55.053 -0.911 1
1 365 . 13 1 1 A 39 39 LYS HA H 39 4.624 4.346 0.278 1
1 366 . 13 1 1 A 39 39 LYS CB C 39 32.528 31.866 0.662 1
1 378 . 13 1 1 A 40 40 PRO CA C 40 63.167 63.883 -0.716 1
1 379 . 13 1 1 A 40 40 PRO HA H 40 4.470 4.456 0.014 1
1 380 . 13 1 1 A 40 40 PRO CB C 40 32.193 31.648 0.545 1
1 389 . 13 1 1 A 40 40 PRO C C 40 177.019 175.932 1.087 1
1 390 . 13 1 1 A 41 41 SER N N 41 116.494 115.745 0.749 1
1 391 . 13 1 1 A 41 41 SER H H 41 8.475 7.730 0.745 1
1 392 . 13 1 1 A 41 41 SER CA C 41 58.355 57.368 0.987 1
1 393 . 13 1 1 A 41 41 SER HA H 41 4.472 4.614 -0.142 1
1 394 . 13 1 1 A 41 41 SER CB C 41 64.047 64.712 -0.665 1
1 396 . 13 1 1 A 41 41 SER C C 41 174.761 174.083 0.678 1
1 397 . 13 1 1 A 42 42 GLY CA C 42 44.674 46.717 -2.043 1
1 398 . 13 1 1 A 42 42 GLY HA2 H 42 4.117 4.039 0.078 1
1 399 . 13 1 1 A 42 42 GLY HA3 H 42 4.175 4.040 0.135 1
1 400 . 13 1 1 A 43 43 PRO CA C 43 63.252 62.762 0.490 1
1 401 . 13 1 1 A 43 43 PRO HA H 43 4.485 4.605 -0.120 1
1 402 . 13 1 1 A 43 43 PRO CB C 43 32.259 32.408 -0.149 1
1 411 . 13 1 1 A 45 45 SER CA C 45 58.354 58.185 0.169 1
1 412 . 13 1 1 A 45 45 SER HA H 45 4.511 4.773 -0.262 1
1 413 . 13 1 1 A 45 45 SER CB C 45 64.043 65.128 -1.085 1
1 416 . 13 1 1 A 45 45 SER C C 45 173.934 175.180 -1.246 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.446 46.602 -1.156 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 4.044 4.005 0.039 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.517 174.399 0.118 1
1 4 . 14 1 1 A 8 8 THR N N 8 112.820 114.456 -1.636 1
1 5 . 14 1 1 A 8 8 THR H H 8 8.156 8.013 0.143 1
1 6 . 14 1 1 A 8 8 THR CA C 8 61.841 60.843 0.998 1
1 7 . 14 1 1 A 8 8 THR HA H 8 4.387 4.736 -0.349 1
1 8 . 14 1 1 A 8 8 THR CB C 8 69.860 69.124 0.736 1
1 14 . 14 1 1 A 8 8 THR C C 8 175.270 174.153 1.117 1
1 15 . 14 1 1 A 9 9 GLY N N 9 110.629 115.695 -5.066 1
1 16 . 14 1 1 A 9 9 GLY H H 9 8.224 8.274 -0.050 1
1 17 . 14 1 1 A 9 9 GLY CA C 9 45.301 44.848 0.453 1
1 18 . 14 1 1 A 9 9 GLY HA2 H 9 3.936 4.155 -0.219 1
1 19 . 14 1 1 A 9 9 GLY HA3 H 9 3.974 4.162 -0.188 1
1 20 . 14 1 1 A 10 10 GLU N N 10 120.185 121.341 -1.156 1
1 21 . 14 1 1 A 10 10 GLU H H 10 8.244 8.647 -0.403 1
1 22 . 14 1 1 A 10 10 GLU CA C 10 56.913 55.928 0.985 1
1 23 . 14 1 1 A 10 10 GLU HA H 10 4.206 4.538 -0.332 1
1 24 . 14 1 1 A 10 10 GLU CB C 10 30.432 28.320 2.112 1
1 30 . 14 1 1 A 11 11 LYS N N 11 121.853 121.986 -0.133 1
1 31 . 14 1 1 A 11 11 LYS H H 11 8.314 7.135 1.179 1
1 32 . 14 1 1 A 11 11 LYS CA C 11 53.894 53.929 -0.035 1
1 33 . 14 1 1 A 11 11 LYS HA H 11 4.547 4.447 0.100 1
1 34 . 14 1 1 A 11 11 LYS CB C 11 32.861 31.838 1.023 1
1 45 . 14 1 1 A 11 11 LYS C C 11 174.542 176.541 -1.999 1
1 46 . 14 1 1 A 12 12 PRO CA C 12 63.480 64.674 -1.194 1
1 47 . 14 1 1 A 12 12 PRO HA H 12 4.305 4.320 -0.015 1
1 48 . 14 1 1 A 12 12 PRO CB C 12 32.288 31.730 0.558 1
1 57 . 14 1 1 A 12 12 PRO C C 12 176.266 176.072 0.194 1
1 58 . 14 1 1 A 13 13 PHE N N 13 118.209 118.109 0.100 1
1 59 . 14 1 1 A 13 13 PHE H H 13 8.027 7.660 0.367 1
1 60 . 14 1 1 A 13 13 PHE CA C 13 57.480 57.175 0.305 1
1 61 . 14 1 1 A 13 13 PHE HA H 13 4.646 4.997 -0.351 1
1 62 . 14 1 1 A 13 13 PHE CB C 13 39.143 40.334 -1.191 1
1 75 . 14 1 1 A 13 13 PHE C C 13 174.299 174.568 -0.269 1
1 76 . 14 1 1 A 14 14 GLU N N 14 124.594 123.615 0.979 1
1 77 . 14 1 1 A 14 14 GLU H H 14 8.557 8.866 -0.309 1
1 78 . 14 1 1 A 14 14 GLU CA C 14 55.040 55.068 -0.028 1
1 79 . 14 1 1 A 14 14 GLU HA H 14 4.808 5.230 -0.422 1
1 80 . 14 1 1 A 14 14 GLU CB C 14 32.995 33.336 -0.341 1
1 86 . 14 1 1 A 14 14 GLU C C 14 175.064 175.437 -0.373 1
1 87 . 14 1 1 A 15 15 CYS N N 15 127.042 125.731 1.311 1
1 88 . 14 1 1 A 15 15 CYS H H 15 9.223 8.878 0.345 1
1 89 . 14 1 1 A 15 15 CYS CA C 15 59.448 60.222 -0.774 1
1 90 . 14 1 1 A 15 15 CYS HA H 15 4.559 4.427 0.132 1
1 91 . 14 1 1 A 15 15 CYS CB C 15 29.596 28.535 1.061 1
1 94 . 14 1 1 A 15 15 CYS C C 15 176.934 176.645 0.289 1
1 95 . 14 1 1 A 16 16 ALA N N 16 121.197 129.625 -8.428 1
1 96 . 14 1 1 A 16 16 ALA H H 16 9.386 8.780 0.606 1
1 97 . 14 1 1 A 16 16 ALA CA C 16 54.526 51.520 3.006 1
1 98 . 14 1 1 A 16 16 ALA HA H 16 4.243 4.618 -0.375 1
1 99 . 14 1 1 A 16 16 ALA CB C 16 18.918 19.278 -0.360 1
1 103 . 14 1 1 A 16 16 ALA C C 16 178.161 177.337 0.824 1
1 104 . 14 1 1 A 17 17 GLU N N 17 118.104 117.552 0.552 1
1 105 . 14 1 1 A 17 17 GLU H H 17 8.565 7.932 0.633 1
1 106 . 14 1 1 A 17 17 GLU CA C 17 58.342 57.115 1.227 1
1 107 . 14 1 1 A 17 17 GLU HA H 17 4.183 4.397 -0.214 1
1 108 . 14 1 1 A 17 17 GLU CB C 17 29.540 31.225 -1.685 1
1 114 . 14 1 1 A 17 17 GLU C C 17 177.383 177.686 -0.303 1
1 115 . 14 1 1 A 18 18 CYS N N 18 114.477 114.704 -0.227 1
1 116 . 14 1 1 A 18 18 CYS H H 18 7.922 8.177 -0.255 1
1 117 . 14 1 1 A 18 18 CYS CA C 18 58.458 59.840 -1.382 1
1 118 . 14 1 1 A 18 18 CYS HA H 18 5.191 4.723 0.468 1
1 119 . 14 1 1 A 18 18 CYS CB C 18 32.615 29.895 2.720 1
1 122 . 14 1 1 A 18 18 CYS C C 18 176.327 175.358 0.969 1
1 123 . 14 1 1 A 19 19 GLY N N 19 113.483 109.720 3.763 1
1 124 . 14 1 1 A 19 19 GLY H H 19 8.278 8.030 0.248 1
1 125 . 14 1 1 A 19 19 GLY CA C 19 46.201 45.463 0.738 1
1 126 . 14 1 1 A 19 19 GLY HA2 H 19 4.245 4.077 0.168 1
1 127 . 14 1 1 A 19 19 GLY HA3 H 19 3.885 4.077 -0.192 1
1 128 . 14 1 1 A 19 19 GLY C C 19 173.983 174.067 -0.084 1
1 129 . 14 1 1 A 20 20 LYS N N 20 122.831 119.403 3.428 1
1 130 . 14 1 1 A 20 20 LYS H H 20 7.964 7.814 0.150 1
1 131 . 14 1 1 A 20 20 LYS CA C 20 57.920 54.194 3.726 1
1 132 . 14 1 1 A 20 20 LYS HA H 20 4.054 4.699 -0.645 1
1 133 . 14 1 1 A 20 20 LYS CB C 20 33.613 34.806 -1.193 1
1 145 . 14 1 1 A 20 20 LYS C C 20 174.311 175.294 -0.983 1
1 146 . 14 1 1 A 21 21 SER N N 21 115.065 112.180 2.885 1
1 147 . 14 1 1 A 21 21 SER H H 21 7.780 8.602 -0.822 1
1 148 . 14 1 1 A 21 21 SER CA C 21 56.653 56.261 0.392 1
1 149 . 14 1 1 A 21 21 SER HA H 21 5.311 5.591 -0.280 1
1 150 . 14 1 1 A 21 21 SER CB C 21 66.094 66.607 -0.513 1
1 153 . 14 1 1 A 21 21 SER C C 21 173.133 172.767 0.366 1
1 154 . 14 1 1 A 22 22 PHE N N 22 117.950 118.467 -0.517 1
1 155 . 14 1 1 A 22 22 PHE H H 22 8.696 8.736 -0.040 1
1 156 . 14 1 1 A 22 22 PHE CA C 22 57.415 56.725 0.690 1
1 157 . 14 1 1 A 22 22 PHE HA H 22 4.824 4.982 -0.158 1
1 158 . 14 1 1 A 22 22 PHE CB C 22 43.800 43.330 0.470 1
1 171 . 14 1 1 A 22 22 PHE C C 22 175.440 175.448 -0.008 1
1 172 . 14 1 1 A 23 23 SER N N 23 116.091 116.733 -0.642 1
1 173 . 14 1 1 A 23 23 SER H H 23 9.091 9.077 0.014 1
1 174 . 14 1 1 A 23 23 SER CA C 23 61.106 60.909 0.197 1
1 175 . 14 1 1 A 23 23 SER HA H 23 4.681 4.605 0.076 1
1 176 . 14 1 1 A 23 23 SER CB C 23 64.301 63.872 0.429 1
1 179 . 14 1 1 A 23 23 SER C C 23 173.898 174.597 -0.699 1
1 180 . 14 1 1 A 24 24 ILE N N 24 114.094 116.770 -2.676 1
1 181 . 14 1 1 A 24 24 ILE H H 24 7.324 7.529 -0.205 1
1 182 . 14 1 1 A 24 24 ILE CA C 24 59.668 58.811 0.857 1
1 183 . 14 1 1 A 24 24 ILE HA H 24 4.710 4.676 0.034 1
1 184 . 14 1 1 A 24 24 ILE CB C 24 41.565 40.837 0.728 1
1 197 . 14 1 1 A 24 24 ILE C C 24 176.812 175.665 1.147 1
1 198 . 14 1 1 A 25 25 SER N N 25 122.408 119.338 3.070 1
1 199 . 14 1 1 A 25 25 SER H H 25 8.516 8.448 0.068 1
1 200 . 14 1 1 A 25 25 SER CA C 25 61.632 60.913 0.719 1
1 201 . 14 1 1 A 25 25 SER HA H 25 2.913 3.200 -0.287 1
1 202 . 14 1 1 A 25 25 SER CB C 25 61.900 62.303 -0.403 1
1 205 . 14 1 1 A 25 25 SER C C 25 175.441 176.396 -0.955 1
1 206 . 14 1 1 A 26 26 SER CA C 26 60.783 61.551 -0.768 1
1 207 . 14 1 1 A 26 26 SER HA H 26 4.116 4.146 -0.030 1
1 208 . 14 1 1 A 26 26 SER CB C 26 61.616 62.570 -0.954 1
1 211 . 14 1 1 A 26 26 SER C C 26 177.043 176.933 0.110 1
1 212 . 14 1 1 A 27 27 GLN N N 27 120.773 121.664 -0.891 1
1 213 . 14 1 1 A 27 27 GLN H H 27 6.969 7.406 -0.437 1
1 214 . 14 1 1 A 27 27 GLN CA C 27 57.897 58.736 -0.839 1
1 215 . 14 1 1 A 27 27 GLN HA H 27 4.039 3.930 0.109 1
1 216 . 14 1 1 A 27 27 GLN CB C 27 28.426 28.374 0.052 1
1 225 . 14 1 1 A 27 27 GLN C C 27 178.938 177.843 1.095 1
1 226 . 14 1 1 A 28 28 LEU N N 28 120.821 121.708 -0.887 1
1 227 . 14 1 1 A 28 28 LEU H H 28 6.728 7.451 -0.723 1
1 228 . 14 1 1 A 28 28 LEU CA C 28 57.617 57.681 -0.064 1
1 229 . 14 1 1 A 28 28 LEU HA H 28 3.384 2.546 0.838 1
1 230 . 14 1 1 A 28 28 LEU CB C 28 40.143 41.294 -1.151 1
1 243 . 14 1 1 A 28 28 LEU C C 28 177.298 177.757 -0.459 1
1 244 . 14 1 1 A 29 29 ALA N N 29 121.094 119.542 1.552 1
1 245 . 14 1 1 A 29 29 ALA H H 29 7.783 8.295 -0.512 1
1 246 . 14 1 1 A 29 29 ALA CA C 29 55.263 55.335 -0.072 1
1 247 . 14 1 1 A 29 29 ALA HA H 29 4.170 3.961 0.209 1
1 248 . 14 1 1 A 29 29 ALA CB C 29 17.736 18.373 -0.637 1
1 252 . 14 1 1 A 29 29 ALA C C 29 180.735 180.131 0.604 1
1 253 . 14 1 1 A 30 30 THR N N 30 113.821 114.157 -0.336 1
1 254 . 14 1 1 A 30 30 THR H H 30 7.746 7.732 0.014 1
1 255 . 14 1 1 A 30 30 THR CA C 30 66.306 66.715 -0.409 1
1 256 . 14 1 1 A 30 30 THR HA H 30 3.817 3.823 -0.006 1
1 257 . 14 1 1 A 30 30 THR CB C 30 68.819 68.711 0.108 1
1 263 . 14 1 1 A 30 30 THR C C 30 176.566 176.494 0.072 1
1 264 . 14 1 1 A 31 31 HIS N N 31 121.819 121.475 0.344 1
1 265 . 14 1 1 A 31 31 HIS H H 31 7.543 7.649 -0.106 1
1 266 . 14 1 1 A 31 31 HIS CA C 31 59.405 60.363 -0.958 1
1 267 . 14 1 1 A 31 31 HIS HA H 31 4.166 4.229 -0.063 1
1 268 . 14 1 1 A 31 31 HIS CB C 31 28.632 29.760 -1.128 1
1 275 . 14 1 1 A 31 31 HIS C C 31 176.084 177.504 -1.420 1
1 276 . 14 1 1 A 32 32 GLN N N 32 115.014 118.794 -3.780 1
1 277 . 14 1 1 A 32 32 GLN H H 32 8.439 8.432 0.007 1
1 278 . 14 1 1 A 32 32 GLN CA C 32 59.346 58.762 0.584 1
1 279 . 14 1 1 A 32 32 GLN HA H 32 3.717 4.181 -0.464 1
1 280 . 14 1 1 A 32 32 GLN CB C 32 28.356 28.408 -0.052 1
1 289 . 14 1 1 A 32 32 GLN C C 32 177.457 178.267 -0.810 1
1 290 . 14 1 1 A 33 33 ARG N N 33 117.225 118.293 -1.068 1
1 291 . 14 1 1 A 33 33 ARG H H 33 7.124 7.941 -0.817 1
1 292 . 14 1 1 A 33 33 ARG CA C 33 58.406 58.660 -0.254 1
1 293 . 14 1 1 A 33 33 ARG HA H 33 4.151 4.091 0.060 1
1 294 . 14 1 1 A 33 33 ARG CB C 33 29.973 29.593 0.380 1
1 303 . 14 1 1 A 33 33 ARG C C 33 178.610 177.697 0.913 1
1 304 . 14 1 1 A 34 34 ILE N N 34 116.430 116.035 0.395 1
1 305 . 14 1 1 A 34 34 ILE H H 34 7.824 7.675 0.149 1
1 306 . 14 1 1 A 34 34 ILE CA C 34 63.156 63.462 -0.306 1
1 307 . 14 1 1 A 34 34 ILE HA H 34 3.975 3.677 0.298 1
1 308 . 14 1 1 A 34 34 ILE CB C 34 37.697 37.105 0.592 1
1 321 . 14 1 1 A 34 34 ILE C C 34 177.432 176.884 0.548 1
1 322 . 14 1 1 A 35 35 HIS N N 35 117.622 119.563 -1.941 1
1 323 . 14 1 1 A 35 35 HIS H H 35 7.205 7.383 -0.178 1
1 324 . 14 1 1 A 35 35 HIS CA C 35 55.332 57.333 -2.001 1
1 325 . 14 1 1 A 35 35 HIS HA H 35 4.866 4.834 0.032 1
1 326 . 14 1 1 A 35 35 HIS CB C 35 28.598 31.818 -3.220 1
1 333 . 14 1 1 A 35 35 HIS C C 35 175.877 175.543 0.334 1
1 334 . 14 1 1 A 36 36 THR N N 36 111.682 112.032 -0.350 1
1 335 . 14 1 1 A 36 36 THR H H 36 7.791 7.629 0.162 1
1 336 . 14 1 1 A 36 36 THR CA C 36 62.540 60.382 2.158 1
1 337 . 14 1 1 A 36 36 THR HA H 36 4.366 4.640 -0.274 1
1 338 . 14 1 1 A 36 36 THR CB C 36 69.869 70.952 -1.083 1
1 344 . 14 1 1 A 36 36 THR C C 36 175.490 175.116 0.374 1
1 345 . 14 1 1 A 37 37 GLY N N 37 111.018 115.398 -4.380 1
1 346 . 14 1 1 A 37 37 GLY H H 37 8.462 8.634 -0.172 1
1 347 . 14 1 1 A 37 37 GLY CA C 37 45.323 45.577 -0.254 1
1 348 . 14 1 1 A 37 37 GLY HA2 H 37 3.967 3.818 0.149 1
1 349 . 14 1 1 A 37 37 GLY HA3 H 37 4.042 3.825 0.217 1
1 350 . 14 1 1 A 37 37 GLY C C 37 174.068 174.934 -0.866 1
1 351 . 14 1 1 A 38 38 GLU N N 38 120.568 121.806 -1.238 1
1 352 . 14 1 1 A 38 38 GLU H H 38 8.092 8.071 0.021 1
1 353 . 14 1 1 A 38 38 GLU CA C 38 56.475 58.641 -2.166 1
1 354 . 14 1 1 A 38 38 GLU HA H 38 4.262 4.017 0.245 1
1 355 . 14 1 1 A 38 38 GLU CB C 38 30.555 29.885 0.670 1
1 361 . 14 1 1 A 38 38 GLU C C 38 176.242 175.861 0.381 1
1 362 . 14 1 1 A 39 39 LYS N N 39 123.829 114.352 9.477 1
1 363 . 14 1 1 A 39 39 LYS H H 39 8.398 7.427 0.971 1
1 364 . 14 1 1 A 39 39 LYS CA C 39 54.142 55.003 -0.861 1
1 365 . 14 1 1 A 39 39 LYS HA H 39 4.624 4.636 -0.012 1
1 366 . 14 1 1 A 39 39 LYS CB C 39 32.528 34.620 -2.092 1
1 378 . 14 1 1 A 40 40 PRO CA C 40 63.167 64.583 -1.416 1
1 379 . 14 1 1 A 40 40 PRO HA H 40 4.470 4.380 0.090 1
1 380 . 14 1 1 A 40 40 PRO CB C 40 32.193 31.956 0.237 1
1 389 . 14 1 1 A 40 40 PRO C C 40 177.019 177.081 -0.062 1
1 390 . 14 1 1 A 41 41 SER N N 41 116.494 113.048 3.446 1
1 391 . 14 1 1 A 41 41 SER H H 41 8.475 8.233 0.242 1
1 392 . 14 1 1 A 41 41 SER CA C 41 58.355 60.660 -2.305 1
1 393 . 14 1 1 A 41 41 SER HA H 41 4.472 4.272 0.200 1
1 394 . 14 1 1 A 41 41 SER CB C 41 64.047 63.831 0.216 1
1 396 . 14 1 1 A 41 41 SER C C 41 174.761 174.587 0.174 1
1 397 . 14 1 1 A 42 42 GLY CA C 42 44.674 45.096 -0.422 1
1 398 . 14 1 1 A 42 42 GLY HA2 H 42 4.117 4.144 -0.027 1
1 399 . 14 1 1 A 42 42 GLY HA3 H 42 4.175 4.145 0.030 1
1 400 . 14 1 1 A 43 43 PRO CA C 43 63.252 62.687 0.565 1
1 401 . 14 1 1 A 43 43 PRO HA H 43 4.485 4.712 -0.227 1
1 402 . 14 1 1 A 43 43 PRO CB C 43 32.259 32.364 -0.105 1
1 411 . 14 1 1 A 45 45 SER CA C 45 58.354 58.132 0.222 1
1 412 . 14 1 1 A 45 45 SER HA H 45 4.511 4.857 -0.346 1
1 413 . 14 1 1 A 45 45 SER CB C 45 64.043 62.183 1.860 1
1 416 . 14 1 1 A 45 45 SER C C 45 173.934 173.779 0.155 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.446 45.422 0.024 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 4.044 4.066 -0.022 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.517 172.423 2.094 1
1 4 . 15 1 1 A 8 8 THR N N 8 112.820 116.960 -4.140 1
1 5 . 15 1 1 A 8 8 THR H H 8 8.156 8.420 -0.264 1
1 6 . 15 1 1 A 8 8 THR CA C 8 61.841 60.893 0.948 1
1 7 . 15 1 1 A 8 8 THR HA H 8 4.387 4.555 -0.168 1
1 8 . 15 1 1 A 8 8 THR CB C 8 69.860 68.763 1.097 1
1 14 . 15 1 1 A 8 8 THR C C 8 175.270 173.835 1.435 1
1 15 . 15 1 1 A 9 9 GLY N N 9 110.629 111.524 -0.895 1
1 16 . 15 1 1 A 9 9 GLY H H 9 8.224 8.337 -0.113 1
1 17 . 15 1 1 A 9 9 GLY CA C 9 45.301 44.802 0.499 1
1 18 . 15 1 1 A 9 9 GLY HA2 H 9 3.936 4.143 -0.207 1
1 19 . 15 1 1 A 9 9 GLY HA3 H 9 3.974 4.145 -0.171 1
1 20 . 15 1 1 A 10 10 GLU N N 10 120.185 125.201 -5.016 1
1 21 . 15 1 1 A 10 10 GLU H H 10 8.244 8.878 -0.634 1
1 22 . 15 1 1 A 10 10 GLU CA C 10 56.913 57.022 -0.109 1
1 23 . 15 1 1 A 10 10 GLU HA H 10 4.206 4.549 -0.343 1
1 24 . 15 1 1 A 10 10 GLU CB C 10 30.432 32.442 -2.010 1
1 30 . 15 1 1 A 11 11 LYS N N 11 121.853 120.534 1.319 1
1 31 . 15 1 1 A 11 11 LYS H H 11 8.314 7.429 0.885 1
1 32 . 15 1 1 A 11 11 LYS CA C 11 53.894 55.097 -1.203 1
1 33 . 15 1 1 A 11 11 LYS HA H 11 4.547 4.384 0.163 1
1 34 . 15 1 1 A 11 11 LYS CB C 11 32.861 31.885 0.976 1
1 45 . 15 1 1 A 11 11 LYS C C 11 174.542 176.299 -1.757 1
1 46 . 15 1 1 A 12 12 PRO CA C 12 63.480 64.316 -0.836 1
1 47 . 15 1 1 A 12 12 PRO HA H 12 4.305 4.306 -0.001 1
1 48 . 15 1 1 A 12 12 PRO CB C 12 32.288 31.657 0.631 1
1 57 . 15 1 1 A 12 12 PRO C C 12 176.266 176.109 0.157 1
1 58 . 15 1 1 A 13 13 PHE N N 13 118.209 117.689 0.520 1
1 59 . 15 1 1 A 13 13 PHE H H 13 8.027 7.665 0.362 1
1 60 . 15 1 1 A 13 13 PHE CA C 13 57.480 56.675 0.805 1
1 61 . 15 1 1 A 13 13 PHE HA H 13 4.646 5.222 -0.576 1
1 62 . 15 1 1 A 13 13 PHE CB C 13 39.143 40.478 -1.335 1
1 75 . 15 1 1 A 13 13 PHE C C 13 174.299 174.955 -0.656 1
1 76 . 15 1 1 A 14 14 GLU N N 14 124.594 120.525 4.069 1
1 77 . 15 1 1 A 14 14 GLU H H 14 8.557 9.086 -0.529 1
1 78 . 15 1 1 A 14 14 GLU CA C 14 55.040 54.740 0.300 1
1 79 . 15 1 1 A 14 14 GLU HA H 14 4.808 5.052 -0.244 1
1 80 . 15 1 1 A 14 14 GLU CB C 14 32.995 33.296 -0.301 1
1 86 . 15 1 1 A 14 14 GLU C C 14 175.064 174.597 0.467 1
1 87 . 15 1 1 A 15 15 CYS N N 15 127.042 122.245 4.797 1
1 88 . 15 1 1 A 15 15 CYS H H 15 9.223 8.839 0.384 1
1 89 . 15 1 1 A 15 15 CYS CA C 15 59.448 58.609 0.839 1
1 90 . 15 1 1 A 15 15 CYS HA H 15 4.559 4.837 -0.278 1
1 91 . 15 1 1 A 15 15 CYS CB C 15 29.596 28.904 0.692 1
1 94 . 15 1 1 A 15 15 CYS C C 15 176.934 175.849 1.085 1
1 95 . 15 1 1 A 16 16 ALA N N 16 121.197 127.773 -6.576 1
1 96 . 15 1 1 A 16 16 ALA H H 16 9.386 8.559 0.827 1
1 97 . 15 1 1 A 16 16 ALA CA C 16 54.526 51.292 3.234 1
1 98 . 15 1 1 A 16 16 ALA HA H 16 4.243 4.664 -0.421 1
1 99 . 15 1 1 A 16 16 ALA CB C 16 18.918 19.264 -0.346 1
1 103 . 15 1 1 A 16 16 ALA C C 16 178.161 177.266 0.895 1
1 104 . 15 1 1 A 17 17 GLU N N 17 118.104 117.754 0.350 1
1 105 . 15 1 1 A 17 17 GLU H H 17 8.565 7.963 0.602 1
1 106 . 15 1 1 A 17 17 GLU CA C 17 58.342 57.394 0.948 1
1 107 . 15 1 1 A 17 17 GLU HA H 17 4.183 4.466 -0.283 1
1 108 . 15 1 1 A 17 17 GLU CB C 17 29.540 31.370 -1.830 1
1 114 . 15 1 1 A 17 17 GLU C C 17 177.383 178.213 -0.830 1
1 115 . 15 1 1 A 18 18 CYS N N 18 114.477 115.088 -0.611 1
1 116 . 15 1 1 A 18 18 CYS H H 18 7.922 8.085 -0.163 1
1 117 . 15 1 1 A 18 18 CYS CA C 18 58.458 60.020 -1.562 1
1 118 . 15 1 1 A 18 18 CYS HA H 18 5.191 4.553 0.638 1
1 119 . 15 1 1 A 18 18 CYS CB C 18 32.615 28.937 3.678 1
1 122 . 15 1 1 A 18 18 CYS C C 18 176.327 175.193 1.134 1
1 123 . 15 1 1 A 19 19 GLY N N 19 113.483 109.626 3.857 1
1 124 . 15 1 1 A 19 19 GLY H H 19 8.278 8.111 0.167 1
1 125 . 15 1 1 A 19 19 GLY CA C 19 46.201 45.554 0.647 1
1 126 . 15 1 1 A 19 19 GLY HA2 H 19 4.245 4.050 0.195 1
1 127 . 15 1 1 A 19 19 GLY HA3 H 19 3.885 4.056 -0.171 1
1 128 . 15 1 1 A 19 19 GLY C C 19 173.983 174.165 -0.182 1
1 129 . 15 1 1 A 20 20 LYS N N 20 122.831 119.892 2.939 1
1 130 . 15 1 1 A 20 20 LYS H H 20 7.964 7.824 0.140 1
1 131 . 15 1 1 A 20 20 LYS CA C 20 57.920 54.483 3.437 1
1 132 . 15 1 1 A 20 20 LYS HA H 20 4.054 4.585 -0.531 1
1 133 . 15 1 1 A 20 20 LYS CB C 20 33.613 34.985 -1.372 1
1 145 . 15 1 1 A 20 20 LYS C C 20 174.311 175.333 -1.022 1
1 146 . 15 1 1 A 21 21 SER N N 21 115.065 117.730 -2.665 1
1 147 . 15 1 1 A 21 21 SER H H 21 7.780 8.765 -0.985 1
1 148 . 15 1 1 A 21 21 SER CA C 21 56.653 56.445 0.208 1
1 149 . 15 1 1 A 21 21 SER HA H 21 5.311 5.238 0.073 1
1 150 . 15 1 1 A 21 21 SER CB C 21 66.094 65.565 0.529 1
1 153 . 15 1 1 A 21 21 SER C C 21 173.133 173.438 -0.305 1
1 154 . 15 1 1 A 22 22 PHE N N 22 117.950 117.510 0.440 1
1 155 . 15 1 1 A 22 22 PHE H H 22 8.696 8.535 0.161 1
1 156 . 15 1 1 A 22 22 PHE CA C 22 57.415 56.767 0.648 1
1 157 . 15 1 1 A 22 22 PHE HA H 22 4.824 4.996 -0.172 1
1 158 . 15 1 1 A 22 22 PHE CB C 22 43.800 43.875 -0.075 1
1 171 . 15 1 1 A 22 22 PHE C C 22 175.440 175.538 -0.098 1
1 172 . 15 1 1 A 23 23 SER N N 23 116.091 116.287 -0.196 1
1 173 . 15 1 1 A 23 23 SER H H 23 9.091 9.218 -0.127 1
1 174 . 15 1 1 A 23 23 SER CA C 23 61.106 60.660 0.446 1
1 175 . 15 1 1 A 23 23 SER HA H 23 4.681 4.592 0.089 1
1 176 . 15 1 1 A 23 23 SER CB C 23 64.301 63.838 0.463 1
1 179 . 15 1 1 A 23 23 SER C C 23 173.898 174.406 -0.508 1
1 180 . 15 1 1 A 24 24 ILE N N 24 114.094 116.692 -2.598 1
1 181 . 15 1 1 A 24 24 ILE H H 24 7.324 7.604 -0.280 1
1 182 . 15 1 1 A 24 24 ILE CA C 24 59.668 58.847 0.821 1
1 183 . 15 1 1 A 24 24 ILE HA H 24 4.710 4.764 -0.054 1
1 184 . 15 1 1 A 24 24 ILE CB C 24 41.565 40.621 0.944 1
1 197 . 15 1 1 A 24 24 ILE C C 24 176.812 175.960 0.852 1
1 198 . 15 1 1 A 25 25 SER N N 25 122.408 117.409 4.999 1
1 199 . 15 1 1 A 25 25 SER H H 25 8.516 8.510 0.006 1
1 200 . 15 1 1 A 25 25 SER CA C 25 61.632 60.438 1.194 1
1 201 . 15 1 1 A 25 25 SER HA H 25 2.913 2.985 -0.072 1
1 202 . 15 1 1 A 25 25 SER CB C 25 61.900 62.291 -0.391 1
1 205 . 15 1 1 A 25 25 SER C C 25 175.441 176.175 -0.734 1
1 206 . 15 1 1 A 26 26 SER CA C 26 60.783 61.270 -0.487 1
1 207 . 15 1 1 A 26 26 SER HA H 26 4.116 3.949 0.167 1
1 208 . 15 1 1 A 26 26 SER CB C 26 61.616 62.865 -1.249 1
1 211 . 15 1 1 A 26 26 SER C C 26 177.043 176.842 0.201 1
1 212 . 15 1 1 A 27 27 GLN N N 27 120.773 121.415 -0.642 1
1 213 . 15 1 1 A 27 27 GLN H H 27 6.969 7.697 -0.728 1
1 214 . 15 1 1 A 27 27 GLN CA C 27 57.897 58.523 -0.626 1
1 215 . 15 1 1 A 27 27 GLN HA H 27 4.039 3.854 0.185 1
1 216 . 15 1 1 A 27 27 GLN CB C 27 28.426 28.175 0.251 1
1 225 . 15 1 1 A 27 27 GLN C C 27 178.938 177.750 1.188 1
1 226 . 15 1 1 A 28 28 LEU N N 28 120.821 121.380 -0.559 1
1 227 . 15 1 1 A 28 28 LEU H H 28 6.728 7.633 -0.905 1
1 228 . 15 1 1 A 28 28 LEU CA C 28 57.617 57.601 0.016 1
1 229 . 15 1 1 A 28 28 LEU HA H 28 3.384 3.221 0.163 1
1 230 . 15 1 1 A 28 28 LEU CB C 28 40.143 41.580 -1.437 1
1 243 . 15 1 1 A 28 28 LEU C C 28 177.298 177.903 -0.605 1
1 244 . 15 1 1 A 29 29 ALA N N 29 121.094 120.202 0.892 1
1 245 . 15 1 1 A 29 29 ALA H H 29 7.783 8.327 -0.544 1
1 246 . 15 1 1 A 29 29 ALA CA C 29 55.263 55.286 -0.023 1
1 247 . 15 1 1 A 29 29 ALA HA H 29 4.170 3.982 0.188 1
1 248 . 15 1 1 A 29 29 ALA CB C 29 17.736 18.421 -0.685 1
1 252 . 15 1 1 A 29 29 ALA C C 29 180.735 180.240 0.495 1
1 253 . 15 1 1 A 30 30 THR N N 30 113.821 113.343 0.478 1
1 254 . 15 1 1 A 30 30 THR H H 30 7.746 7.816 -0.070 1
1 255 . 15 1 1 A 30 30 THR CA C 30 66.306 65.667 0.639 1
1 256 . 15 1 1 A 30 30 THR HA H 30 3.817 3.929 -0.112 1
1 257 . 15 1 1 A 30 30 THR CB C 30 68.819 68.461 0.358 1
1 263 . 15 1 1 A 30 30 THR C C 30 176.566 176.455 0.111 1
1 264 . 15 1 1 A 31 31 HIS N N 31 121.819 120.603 1.216 1
1 265 . 15 1 1 A 31 31 HIS H H 31 7.543 7.843 -0.300 1
1 266 . 15 1 1 A 31 31 HIS CA C 31 59.405 58.904 0.501 1
1 267 . 15 1 1 A 31 31 HIS HA H 31 4.166 4.226 -0.060 1
1 268 . 15 1 1 A 31 31 HIS CB C 31 28.632 30.121 -1.489 1
1 275 . 15 1 1 A 31 31 HIS C C 31 176.084 177.278 -1.194 1
1 276 . 15 1 1 A 32 32 GLN N N 32 115.014 118.514 -3.500 1
1 277 . 15 1 1 A 32 32 GLN H H 32 8.439 8.704 -0.265 1
1 278 . 15 1 1 A 32 32 GLN CA C 32 59.346 59.224 0.122 1
1 279 . 15 1 1 A 32 32 GLN HA H 32 3.717 4.102 -0.385 1
1 280 . 15 1 1 A 32 32 GLN CB C 32 28.356 28.436 -0.080 1
1 289 . 15 1 1 A 32 32 GLN C C 32 177.457 178.622 -1.165 1
1 290 . 15 1 1 A 33 33 ARG N N 33 117.225 117.805 -0.580 1
1 291 . 15 1 1 A 33 33 ARG H H 33 7.124 7.945 -0.821 1
1 292 . 15 1 1 A 33 33 ARG CA C 33 58.406 58.606 -0.200 1
1 293 . 15 1 1 A 33 33 ARG HA H 33 4.151 4.069 0.082 1
1 294 . 15 1 1 A 33 33 ARG CB C 33 29.973 29.732 0.241 1
1 303 . 15 1 1 A 33 33 ARG C C 33 178.610 177.770 0.840 1
1 304 . 15 1 1 A 34 34 ILE N N 34 116.430 116.288 0.142 1
1 305 . 15 1 1 A 34 34 ILE H H 34 7.824 7.848 -0.024 1
1 306 . 15 1 1 A 34 34 ILE CA C 34 63.156 64.293 -1.137 1
1 307 . 15 1 1 A 34 34 ILE HA H 34 3.975 3.739 0.236 1
1 308 . 15 1 1 A 34 34 ILE CB C 34 37.697 37.139 0.558 1
1 321 . 15 1 1 A 34 34 ILE C C 34 177.432 177.964 -0.532 1
1 322 . 15 1 1 A 35 35 HIS N N 35 117.622 120.346 -2.724 1
1 323 . 15 1 1 A 35 35 HIS H H 35 7.205 7.220 -0.015 1
1 324 . 15 1 1 A 35 35 HIS CA C 35 55.332 59.244 -3.912 1
1 325 . 15 1 1 A 35 35 HIS HA H 35 4.866 4.368 0.498 1
1 326 . 15 1 1 A 35 35 HIS CB C 35 28.598 30.921 -2.323 1
1 333 . 15 1 1 A 35 35 HIS C C 35 175.877 175.571 0.306 1
1 334 . 15 1 1 A 36 36 THR N N 36 111.682 111.893 -0.211 1
1 335 . 15 1 1 A 36 36 THR H H 36 7.791 7.643 0.148 1
1 336 . 15 1 1 A 36 36 THR CA C 36 62.540 60.762 1.778 1
1 337 . 15 1 1 A 36 36 THR HA H 36 4.366 4.448 -0.082 1
1 338 . 15 1 1 A 36 36 THR CB C 36 69.869 68.222 1.647 1
1 344 . 15 1 1 A 36 36 THR C C 36 175.490 174.270 1.220 1
1 345 . 15 1 1 A 37 37 GLY N N 37 111.018 113.086 -2.068 1
1 346 . 15 1 1 A 37 37 GLY H H 37 8.462 8.336 0.126 1
1 347 . 15 1 1 A 37 37 GLY CA C 37 45.323 45.968 -0.645 1
1 348 . 15 1 1 A 37 37 GLY HA2 H 37 3.967 4.038 -0.071 1
1 349 . 15 1 1 A 37 37 GLY HA3 H 37 4.042 4.043 -0.001 1
1 350 . 15 1 1 A 37 37 GLY C C 37 174.068 173.686 0.382 1
1 351 . 15 1 1 A 38 38 GLU N N 38 120.568 120.616 -0.048 1
1 352 . 15 1 1 A 38 38 GLU H H 38 8.092 8.345 -0.253 1
1 353 . 15 1 1 A 38 38 GLU CA C 38 56.475 55.783 0.692 1
1 354 . 15 1 1 A 38 38 GLU HA H 38 4.262 4.456 -0.194 1
1 355 . 15 1 1 A 38 38 GLU CB C 38 30.555 28.473 2.082 1
1 361 . 15 1 1 A 38 38 GLU C C 38 176.242 174.889 1.353 1
1 362 . 15 1 1 A 39 39 LYS N N 39 123.829 120.047 3.782 1
1 363 . 15 1 1 A 39 39 LYS H H 39 8.398 8.342 0.056 1
1 364 . 15 1 1 A 39 39 LYS CA C 39 54.142 55.030 -0.888 1
1 365 . 15 1 1 A 39 39 LYS HA H 39 4.624 4.747 -0.123 1
1 366 . 15 1 1 A 39 39 LYS CB C 39 32.528 34.906 -2.378 1
1 378 . 15 1 1 A 40 40 PRO CA C 40 63.167 62.786 0.381 1
1 379 . 15 1 1 A 40 40 PRO HA H 40 4.470 4.658 -0.188 1
1 380 . 15 1 1 A 40 40 PRO CB C 40 32.193 32.141 0.052 1
1 389 . 15 1 1 A 40 40 PRO C C 40 177.019 176.269 0.750 1
1 390 . 15 1 1 A 41 41 SER N N 41 116.494 114.846 1.648 1
1 391 . 15 1 1 A 41 41 SER H H 41 8.475 8.417 0.058 1
1 392 . 15 1 1 A 41 41 SER CA C 41 58.355 57.036 1.319 1
1 393 . 15 1 1 A 41 41 SER HA H 41 4.472 5.147 -0.675 1
1 394 . 15 1 1 A 41 41 SER CB C 41 64.047 64.716 -0.669 1
1 396 . 15 1 1 A 41 41 SER C C 41 174.761 174.221 0.540 1
1 397 . 15 1 1 A 42 42 GLY CA C 42 44.674 45.269 -0.595 1
1 398 . 15 1 1 A 42 42 GLY HA2 H 42 4.117 4.433 -0.316 1
1 399 . 15 1 1 A 42 42 GLY HA3 H 42 4.175 4.433 -0.258 1
1 400 . 15 1 1 A 43 43 PRO CA C 43 63.252 62.363 0.889 1
1 401 . 15 1 1 A 43 43 PRO HA H 43 4.485 4.626 -0.141 1
1 402 . 15 1 1 A 43 43 PRO CB C 43 32.259 33.235 -0.976 1
1 411 . 15 1 1 A 45 45 SER CA C 45 58.354 57.868 0.486 1
1 412 . 15 1 1 A 45 45 SER HA H 45 4.511 4.799 -0.288 1
1 413 . 15 1 1 A 45 45 SER CB C 45 64.043 64.745 -0.702 1
1 416 . 15 1 1 A 45 45 SER C C 45 173.934 174.901 -0.967 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.446 45.989 -0.543 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 4.044 3.947 0.097 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.517 175.430 -0.913 1
1 4 . 16 1 1 A 8 8 THR N N 8 112.820 114.620 -1.800 1
1 5 . 16 1 1 A 8 8 THR H H 8 8.156 8.075 0.081 1
1 6 . 16 1 1 A 8 8 THR CA C 8 61.841 62.983 -1.142 1
1 7 . 16 1 1 A 8 8 THR HA H 8 4.387 4.033 0.354 1
1 8 . 16 1 1 A 8 8 THR CB C 8 69.860 66.691 3.169 1
1 14 . 16 1 1 A 8 8 THR C C 8 175.270 173.625 1.645 1
1 15 . 16 1 1 A 9 9 GLY N N 9 110.629 109.479 1.150 1
1 16 . 16 1 1 A 9 9 GLY H H 9 8.224 7.691 0.533 1
1 17 . 16 1 1 A 9 9 GLY CA C 9 45.301 45.633 -0.332 1
1 18 . 16 1 1 A 9 9 GLY HA2 H 9 3.936 4.072 -0.136 1
1 19 . 16 1 1 A 9 9 GLY HA3 H 9 3.974 4.073 -0.099 1
1 20 . 16 1 1 A 10 10 GLU N N 10 120.185 119.862 0.323 1
1 21 . 16 1 1 A 10 10 GLU H H 10 8.244 8.832 -0.588 1
1 22 . 16 1 1 A 10 10 GLU CA C 10 56.913 54.988 1.925 1
1 23 . 16 1 1 A 10 10 GLU HA H 10 4.206 5.007 -0.801 1
1 24 . 16 1 1 A 10 10 GLU CB C 10 30.432 33.336 -2.904 1
1 30 . 16 1 1 A 11 11 LYS N N 11 121.853 124.829 -2.976 1
1 31 . 16 1 1 A 11 11 LYS H H 11 8.314 8.726 -0.412 1
1 32 . 16 1 1 A 11 11 LYS CA C 11 53.894 53.386 0.508 1
1 33 . 16 1 1 A 11 11 LYS HA H 11 4.547 5.037 -0.490 1
1 34 . 16 1 1 A 11 11 LYS CB C 11 32.861 32.838 0.023 1
1 45 . 16 1 1 A 11 11 LYS C C 11 174.542 175.468 -0.926 1
1 46 . 16 1 1 A 12 12 PRO CA C 12 63.480 64.461 -0.981 1
1 47 . 16 1 1 A 12 12 PRO HA H 12 4.305 4.422 -0.117 1
1 48 . 16 1 1 A 12 12 PRO CB C 12 32.288 31.554 0.734 1
1 57 . 16 1 1 A 12 12 PRO C C 12 176.266 175.994 0.272 1
1 58 . 16 1 1 A 13 13 PHE N N 13 118.209 117.717 0.492 1
1 59 . 16 1 1 A 13 13 PHE H H 13 8.027 7.769 0.258 1
1 60 . 16 1 1 A 13 13 PHE CA C 13 57.480 56.809 0.671 1
1 61 . 16 1 1 A 13 13 PHE HA H 13 4.646 4.811 -0.165 1
1 62 . 16 1 1 A 13 13 PHE CB C 13 39.143 38.200 0.943 1
1 75 . 16 1 1 A 13 13 PHE C C 13 174.299 174.136 0.163 1
1 76 . 16 1 1 A 14 14 GLU N N 14 124.594 125.999 -1.405 1
1 77 . 16 1 1 A 14 14 GLU H H 14 8.557 8.968 -0.411 1
1 78 . 16 1 1 A 14 14 GLU CA C 14 55.040 54.803 0.237 1
1 79 . 16 1 1 A 14 14 GLU HA H 14 4.808 5.125 -0.317 1
1 80 . 16 1 1 A 14 14 GLU CB C 14 32.995 32.666 0.329 1
1 86 . 16 1 1 A 14 14 GLU C C 14 175.064 175.685 -0.621 1
1 87 . 16 1 1 A 15 15 CYS N N 15 127.042 125.870 1.172 1
1 88 . 16 1 1 A 15 15 CYS H H 15 9.223 8.929 0.294 1
1 89 . 16 1 1 A 15 15 CYS CA C 15 59.448 60.322 -0.874 1
1 90 . 16 1 1 A 15 15 CYS HA H 15 4.559 4.497 0.062 1
1 91 . 16 1 1 A 15 15 CYS CB C 15 29.596 28.873 0.723 1
1 94 . 16 1 1 A 15 15 CYS C C 15 176.934 176.259 0.675 1
1 95 . 16 1 1 A 16 16 ALA N N 16 121.197 130.120 -8.923 1
1 96 . 16 1 1 A 16 16 ALA H H 16 9.386 8.780 0.606 1
1 97 . 16 1 1 A 16 16 ALA CA C 16 54.526 51.719 2.807 1
1 98 . 16 1 1 A 16 16 ALA HA H 16 4.243 4.591 -0.348 1
1 99 . 16 1 1 A 16 16 ALA CB C 16 18.918 19.062 -0.144 1
1 103 . 16 1 1 A 16 16 ALA C C 16 178.161 177.195 0.966 1
1 104 . 16 1 1 A 17 17 GLU N N 17 118.104 117.588 0.516 1
1 105 . 16 1 1 A 17 17 GLU H H 17 8.565 7.903 0.662 1
1 106 . 16 1 1 A 17 17 GLU CA C 17 58.342 57.214 1.128 1
1 107 . 16 1 1 A 17 17 GLU HA H 17 4.183 4.469 -0.286 1
1 108 . 16 1 1 A 17 17 GLU CB C 17 29.540 31.470 -1.930 1
1 114 . 16 1 1 A 17 17 GLU C C 17 177.383 177.775 -0.392 1
1 115 . 16 1 1 A 18 18 CYS N N 18 114.477 114.945 -0.468 1
1 116 . 16 1 1 A 18 18 CYS H H 18 7.922 8.133 -0.211 1
1 117 . 16 1 1 A 18 18 CYS CA C 18 58.458 59.711 -1.253 1
1 118 . 16 1 1 A 18 18 CYS HA H 18 5.191 4.667 0.524 1
1 119 . 16 1 1 A 18 18 CYS CB C 18 32.615 29.669 2.946 1
1 122 . 16 1 1 A 18 18 CYS C C 18 176.327 175.139 1.188 1
1 123 . 16 1 1 A 19 19 GLY N N 19 113.483 109.358 4.125 1
1 124 . 16 1 1 A 19 19 GLY H H 19 8.278 8.035 0.243 1
1 125 . 16 1 1 A 19 19 GLY CA C 19 46.201 45.544 0.657 1
1 126 . 16 1 1 A 19 19 GLY HA2 H 19 4.245 4.059 0.186 1
1 127 . 16 1 1 A 19 19 GLY HA3 H 19 3.885 4.061 -0.176 1
1 128 . 16 1 1 A 19 19 GLY C C 19 173.983 173.912 0.071 1
1 129 . 16 1 1 A 20 20 LYS N N 20 122.831 119.328 3.503 1
1 130 . 16 1 1 A 20 20 LYS H H 20 7.964 7.835 0.129 1
1 131 . 16 1 1 A 20 20 LYS CA C 20 57.920 54.056 3.864 1
1 132 . 16 1 1 A 20 20 LYS HA H 20 4.054 4.799 -0.745 1
1 133 . 16 1 1 A 20 20 LYS CB C 20 33.613 36.084 -2.471 1
1 145 . 16 1 1 A 20 20 LYS C C 20 174.311 174.876 -0.565 1
1 146 . 16 1 1 A 21 21 SER N N 21 115.065 115.116 -0.051 1
1 147 . 16 1 1 A 21 21 SER H H 21 7.780 8.127 -0.347 1
1 148 . 16 1 1 A 21 21 SER CA C 21 56.653 57.206 -0.553 1
1 149 . 16 1 1 A 21 21 SER HA H 21 5.311 5.361 -0.050 1
1 150 . 16 1 1 A 21 21 SER CB C 21 66.094 66.727 -0.633 1
1 153 . 16 1 1 A 21 21 SER C C 21 173.133 172.469 0.664 1
1 154 . 16 1 1 A 22 22 PHE N N 22 117.950 119.944 -1.994 1
1 155 . 16 1 1 A 22 22 PHE H H 22 8.696 8.478 0.218 1
1 156 . 16 1 1 A 22 22 PHE CA C 22 57.415 56.782 0.633 1
1 157 . 16 1 1 A 22 22 PHE HA H 22 4.824 4.981 -0.157 1
1 158 . 16 1 1 A 22 22 PHE CB C 22 43.800 43.584 0.216 1
1 171 . 16 1 1 A 22 22 PHE C C 22 175.440 175.714 -0.274 1
1 172 . 16 1 1 A 23 23 SER N N 23 116.091 115.708 0.383 1
1 173 . 16 1 1 A 23 23 SER H H 23 9.091 9.100 -0.009 1
1 174 . 16 1 1 A 23 23 SER CA C 23 61.106 61.339 -0.233 1
1 175 . 16 1 1 A 23 23 SER HA H 23 4.681 4.605 0.076 1
1 176 . 16 1 1 A 23 23 SER CB C 23 64.301 64.161 0.140 1
1 179 . 16 1 1 A 23 23 SER C C 23 173.898 174.791 -0.893 1
1 180 . 16 1 1 A 24 24 ILE N N 24 114.094 118.547 -4.453 1
1 181 . 16 1 1 A 24 24 ILE H H 24 7.324 7.553 -0.229 1
1 182 . 16 1 1 A 24 24 ILE CA C 24 59.668 58.469 1.199 1
1 183 . 16 1 1 A 24 24 ILE HA H 24 4.710 4.775 -0.065 1
1 184 . 16 1 1 A 24 24 ILE CB C 24 41.565 40.677 0.888 1
1 197 . 16 1 1 A 24 24 ILE C C 24 176.812 176.100 0.712 1
1 198 . 16 1 1 A 25 25 SER N N 25 122.408 116.233 6.175 1
1 199 . 16 1 1 A 25 25 SER H H 25 8.516 8.594 -0.078 1
1 200 . 16 1 1 A 25 25 SER CA C 25 61.632 60.875 0.757 1
1 201 . 16 1 1 A 25 25 SER HA H 25 2.913 2.982 -0.069 1
1 202 . 16 1 1 A 25 25 SER CB C 25 61.900 61.937 -0.037 1
1 205 . 16 1 1 A 25 25 SER C C 25 175.441 176.092 -0.651 1
1 206 . 16 1 1 A 26 26 SER CA C 26 60.783 61.551 -0.768 1
1 207 . 16 1 1 A 26 26 SER HA H 26 4.116 3.973 0.143 1
1 208 . 16 1 1 A 26 26 SER CB C 26 61.616 63.120 -1.504 1
1 211 . 16 1 1 A 26 26 SER C C 26 177.043 176.934 0.109 1
1 212 . 16 1 1 A 27 27 GLN N N 27 120.773 121.185 -0.412 1
1 213 . 16 1 1 A 27 27 GLN H H 27 6.969 8.044 -1.075 1
1 214 . 16 1 1 A 27 27 GLN CA C 27 57.897 58.874 -0.977 1
1 215 . 16 1 1 A 27 27 GLN HA H 27 4.039 3.836 0.203 1
1 216 . 16 1 1 A 27 27 GLN CB C 27 28.426 27.960 0.466 1
1 225 . 16 1 1 A 27 27 GLN C C 27 178.938 178.055 0.883 1
1 226 . 16 1 1 A 28 28 LEU N N 28 120.821 121.622 -0.801 1
1 227 . 16 1 1 A 28 28 LEU H H 28 6.728 7.661 -0.933 1
1 228 . 16 1 1 A 28 28 LEU CA C 28 57.617 57.486 0.131 1
1 229 . 16 1 1 A 28 28 LEU HA H 28 3.384 2.862 0.522 1
1 230 . 16 1 1 A 28 28 LEU CB C 28 40.143 41.213 -1.070 1
1 243 . 16 1 1 A 28 28 LEU C C 28 177.298 177.997 -0.699 1
1 244 . 16 1 1 A 29 29 ALA N N 29 121.094 120.451 0.643 1
1 245 . 16 1 1 A 29 29 ALA H H 29 7.783 8.282 -0.499 1
1 246 . 16 1 1 A 29 29 ALA CA C 29 55.263 55.031 0.232 1
1 247 . 16 1 1 A 29 29 ALA HA H 29 4.170 4.050 0.120 1
1 248 . 16 1 1 A 29 29 ALA CB C 29 17.736 18.313 -0.577 1
1 252 . 16 1 1 A 29 29 ALA C C 29 180.735 179.912 0.823 1
1 253 . 16 1 1 A 30 30 THR N N 30 113.821 114.308 -0.487 1
1 254 . 16 1 1 A 30 30 THR H H 30 7.746 7.852 -0.106 1
1 255 . 16 1 1 A 30 30 THR CA C 30 66.306 64.770 1.536 1
1 256 . 16 1 1 A 30 30 THR HA H 30 3.817 3.944 -0.127 1
1 257 . 16 1 1 A 30 30 THR CB C 30 68.819 68.323 0.496 1
1 263 . 16 1 1 A 30 30 THR C C 30 176.566 176.384 0.182 1
1 264 . 16 1 1 A 31 31 HIS N N 31 121.819 121.049 0.770 1
1 265 . 16 1 1 A 31 31 HIS H H 31 7.543 7.936 -0.393 1
1 266 . 16 1 1 A 31 31 HIS CA C 31 59.405 59.204 0.201 1
1 267 . 16 1 1 A 31 31 HIS HA H 31 4.166 4.220 -0.054 1
1 268 . 16 1 1 A 31 31 HIS CB C 31 28.632 30.124 -1.492 1
1 275 . 16 1 1 A 31 31 HIS C C 31 176.084 177.246 -1.162 1
1 276 . 16 1 1 A 32 32 GLN N N 32 115.014 118.329 -3.315 1
1 277 . 16 1 1 A 32 32 GLN H H 32 8.439 8.304 0.135 1
1 278 . 16 1 1 A 32 32 GLN CA C 32 59.346 59.047 0.299 1
1 279 . 16 1 1 A 32 32 GLN HA H 32 3.717 3.924 -0.207 1
1 280 . 16 1 1 A 32 32 GLN CB C 32 28.356 28.242 0.114 1
1 289 . 16 1 1 A 32 32 GLN C C 32 177.457 178.355 -0.898 1
1 290 . 16 1 1 A 33 33 ARG N N 33 117.225 118.073 -0.848 1
1 291 . 16 1 1 A 33 33 ARG H H 33 7.124 8.192 -1.068 1
1 292 . 16 1 1 A 33 33 ARG CA C 33 58.406 58.636 -0.230 1
1 293 . 16 1 1 A 33 33 ARG HA H 33 4.151 4.054 0.097 1
1 294 . 16 1 1 A 33 33 ARG CB C 33 29.973 30.263 -0.290 1
1 303 . 16 1 1 A 33 33 ARG C C 33 178.610 177.440 1.170 1
1 304 . 16 1 1 A 34 34 ILE N N 34 116.430 116.056 0.374 1
1 305 . 16 1 1 A 34 34 ILE H H 34 7.824 7.612 0.212 1
1 306 . 16 1 1 A 34 34 ILE CA C 34 63.156 63.171 -0.015 1
1 307 . 16 1 1 A 34 34 ILE HA H 34 3.975 3.873 0.102 1
1 308 . 16 1 1 A 34 34 ILE CB C 34 37.697 37.267 0.430 1
1 321 . 16 1 1 A 34 34 ILE C C 34 177.432 177.054 0.378 1
1 322 . 16 1 1 A 35 35 HIS N N 35 117.622 119.270 -1.648 1
1 323 . 16 1 1 A 35 35 HIS H H 35 7.205 7.886 -0.681 1
1 324 . 16 1 1 A 35 35 HIS CA C 35 55.332 57.732 -2.400 1
1 325 . 16 1 1 A 35 35 HIS HA H 35 4.866 4.505 0.361 1
1 326 . 16 1 1 A 35 35 HIS CB C 35 28.598 31.076 -2.478 1
1 333 . 16 1 1 A 35 35 HIS C C 35 175.877 176.351 -0.474 1
1 334 . 16 1 1 A 36 36 THR N N 36 111.682 112.075 -0.393 1
1 335 . 16 1 1 A 36 36 THR H H 36 7.791 8.287 -0.496 1
1 336 . 16 1 1 A 36 36 THR CA C 36 62.540 61.209 1.331 1
1 337 . 16 1 1 A 36 36 THR HA H 36 4.366 4.269 0.097 1
1 338 . 16 1 1 A 36 36 THR CB C 36 69.869 67.671 2.198 1
1 344 . 16 1 1 A 36 36 THR C C 36 175.490 174.701 0.789 1
1 345 . 16 1 1 A 37 37 GLY N N 37 111.018 111.077 -0.059 1
1 346 . 16 1 1 A 37 37 GLY H H 37 8.462 8.041 0.421 1
1 347 . 16 1 1 A 37 37 GLY CA C 37 45.323 45.514 -0.191 1
1 348 . 16 1 1 A 37 37 GLY HA2 H 37 3.967 3.951 0.016 1
1 349 . 16 1 1 A 37 37 GLY HA3 H 37 4.042 3.958 0.084 1
1 350 . 16 1 1 A 37 37 GLY C C 37 174.068 174.016 0.052 1
1 351 . 16 1 1 A 38 38 GLU N N 38 120.568 121.721 -1.153 1
1 352 . 16 1 1 A 38 38 GLU H H 38 8.092 7.868 0.224 1
1 353 . 16 1 1 A 38 38 GLU CA C 38 56.475 55.213 1.262 1
1 354 . 16 1 1 A 38 38 GLU HA H 38 4.262 4.435 -0.173 1
1 355 . 16 1 1 A 38 38 GLU CB C 38 30.555 28.720 1.835 1
1 361 . 16 1 1 A 38 38 GLU C C 38 176.242 175.112 1.130 1
1 362 . 16 1 1 A 39 39 LYS N N 39 123.829 127.767 -3.938 1
1 363 . 16 1 1 A 39 39 LYS H H 39 8.398 8.589 -0.191 1
1 364 . 16 1 1 A 39 39 LYS CA C 39 54.142 54.309 -0.167 1
1 365 . 16 1 1 A 39 39 LYS HA H 39 4.624 4.633 -0.009 1
1 366 . 16 1 1 A 39 39 LYS CB C 39 32.528 33.461 -0.933 1
1 378 . 16 1 1 A 40 40 PRO CA C 40 63.167 62.812 0.355 1
1 379 . 16 1 1 A 40 40 PRO HA H 40 4.470 4.457 0.013 1
1 380 . 16 1 1 A 40 40 PRO CB C 40 32.193 32.044 0.149 1
1 389 . 16 1 1 A 40 40 PRO C C 40 177.019 177.281 -0.262 1
1 390 . 16 1 1 A 41 41 SER N N 41 116.494 115.768 0.726 1
1 391 . 16 1 1 A 41 41 SER H H 41 8.475 8.595 -0.120 1
1 392 . 16 1 1 A 41 41 SER CA C 41 58.355 59.852 -1.497 1
1 393 . 16 1 1 A 41 41 SER HA H 41 4.472 4.317 0.155 1
1 394 . 16 1 1 A 41 41 SER CB C 41 64.047 63.050 0.997 1
1 396 . 16 1 1 A 41 41 SER C C 41 174.761 175.235 -0.474 1
1 397 . 16 1 1 A 42 42 GLY CA C 42 44.674 45.457 -0.783 1
1 398 . 16 1 1 A 42 42 GLY HA2 H 42 4.117 4.233 -0.116 1
1 399 . 16 1 1 A 42 42 GLY HA3 H 42 4.175 4.233 -0.058 1
1 400 . 16 1 1 A 43 43 PRO CA C 43 63.252 62.560 0.692 1
1 401 . 16 1 1 A 43 43 PRO HA H 43 4.485 4.555 -0.070 1
1 402 . 16 1 1 A 43 43 PRO CB C 43 32.259 32.433 -0.174 1
1 411 . 16 1 1 A 45 45 SER CA C 45 58.354 57.092 1.262 1
1 412 . 16 1 1 A 45 45 SER HA H 45 4.511 5.030 -0.519 1
1 413 . 16 1 1 A 45 45 SER CB C 45 64.043 66.347 -2.304 1
1 416 . 16 1 1 A 45 45 SER C C 45 173.934 174.973 -1.039 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.446 45.738 -0.292 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 4.044 4.163 -0.119 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.517 175.660 -1.143 1
1 4 . 17 1 1 A 8 8 THR N N 8 112.820 113.261 -0.441 1
1 5 . 17 1 1 A 8 8 THR H H 8 8.156 8.096 0.060 1
1 6 . 17 1 1 A 8 8 THR CA C 8 61.841 65.440 -3.599 1
1 7 . 17 1 1 A 8 8 THR HA H 8 4.387 4.047 0.340 1
1 8 . 17 1 1 A 8 8 THR CB C 8 69.860 68.319 1.541 1
1 14 . 17 1 1 A 8 8 THR C C 8 175.270 175.643 -0.373 1
1 15 . 17 1 1 A 9 9 GLY N N 9 110.629 109.696 0.933 1
1 16 . 17 1 1 A 9 9 GLY H H 9 8.224 7.729 0.495 1
1 17 . 17 1 1 A 9 9 GLY CA C 9 45.301 45.166 0.135 1
1 18 . 17 1 1 A 9 9 GLY HA2 H 9 3.936 4.026 -0.090 1
1 19 . 17 1 1 A 9 9 GLY HA3 H 9 3.974 4.028 -0.054 1
1 20 . 17 1 1 A 10 10 GLU N N 10 120.185 120.844 -0.659 1
1 21 . 17 1 1 A 10 10 GLU H H 10 8.244 8.448 -0.204 1
1 22 . 17 1 1 A 10 10 GLU CA C 10 56.913 56.019 0.894 1
1 23 . 17 1 1 A 10 10 GLU HA H 10 4.206 4.640 -0.434 1
1 24 . 17 1 1 A 10 10 GLU CB C 10 30.432 31.314 -0.882 1
1 30 . 17 1 1 A 11 11 LYS N N 11 121.853 124.077 -2.224 1
1 31 . 17 1 1 A 11 11 LYS H H 11 8.314 8.304 0.010 1
1 32 . 17 1 1 A 11 11 LYS CA C 11 53.894 53.662 0.232 1
1 33 . 17 1 1 A 11 11 LYS HA H 11 4.547 5.102 -0.555 1
1 34 . 17 1 1 A 11 11 LYS CB C 11 32.861 33.202 -0.341 1
1 45 . 17 1 1 A 11 11 LYS C C 11 174.542 175.218 -0.676 1
1 46 . 17 1 1 A 12 12 PRO CA C 12 63.480 64.357 -0.877 1
1 47 . 17 1 1 A 12 12 PRO HA H 12 4.305 4.627 -0.322 1
1 48 . 17 1 1 A 12 12 PRO CB C 12 32.288 32.006 0.282 1
1 57 . 17 1 1 A 12 12 PRO C C 12 176.266 176.500 -0.234 1
1 58 . 17 1 1 A 13 13 PHE N N 13 118.209 117.984 0.225 1
1 59 . 17 1 1 A 13 13 PHE H H 13 8.027 7.742 0.285 1
1 60 . 17 1 1 A 13 13 PHE CA C 13 57.480 56.524 0.956 1
1 61 . 17 1 1 A 13 13 PHE HA H 13 4.646 5.218 -0.572 1
1 62 . 17 1 1 A 13 13 PHE CB C 13 39.143 41.855 -2.712 1
1 75 . 17 1 1 A 13 13 PHE C C 13 174.299 174.635 -0.336 1
1 76 . 17 1 1 A 14 14 GLU N N 14 124.594 122.142 2.452 1
1 77 . 17 1 1 A 14 14 GLU H H 14 8.557 8.729 -0.172 1
1 78 . 17 1 1 A 14 14 GLU CA C 14 55.040 54.580 0.460 1
1 79 . 17 1 1 A 14 14 GLU HA H 14 4.808 4.999 -0.191 1
1 80 . 17 1 1 A 14 14 GLU CB C 14 32.995 33.406 -0.411 1
1 86 . 17 1 1 A 14 14 GLU C C 14 175.064 175.369 -0.305 1
1 87 . 17 1 1 A 15 15 CYS N N 15 127.042 124.500 2.542 1
1 88 . 17 1 1 A 15 15 CYS H H 15 9.223 9.190 0.033 1
1 89 . 17 1 1 A 15 15 CYS CA C 15 59.448 59.577 -0.129 1
1 90 . 17 1 1 A 15 15 CYS HA H 15 4.559 4.608 -0.049 1
1 91 . 17 1 1 A 15 15 CYS CB C 15 29.596 28.219 1.377 1
1 94 . 17 1 1 A 15 15 CYS C C 15 176.934 176.200 0.734 1
1 95 . 17 1 1 A 16 16 ALA N N 16 121.197 130.204 -9.007 1
1 96 . 17 1 1 A 16 16 ALA H H 16 9.386 8.696 0.690 1
1 97 . 17 1 1 A 16 16 ALA CA C 16 54.526 51.622 2.904 1
1 98 . 17 1 1 A 16 16 ALA HA H 16 4.243 4.616 -0.373 1
1 99 . 17 1 1 A 16 16 ALA CB C 16 18.918 19.152 -0.234 1
1 103 . 17 1 1 A 16 16 ALA C C 16 178.161 177.138 1.023 1
1 104 . 17 1 1 A 17 17 GLU N N 17 118.104 117.612 0.492 1
1 105 . 17 1 1 A 17 17 GLU H H 17 8.565 7.927 0.638 1
1 106 . 17 1 1 A 17 17 GLU CA C 17 58.342 57.219 1.123 1
1 107 . 17 1 1 A 17 17 GLU HA H 17 4.183 4.467 -0.284 1
1 108 . 17 1 1 A 17 17 GLU CB C 17 29.540 31.376 -1.836 1
1 114 . 17 1 1 A 17 17 GLU C C 17 177.383 177.900 -0.517 1
1 115 . 17 1 1 A 18 18 CYS N N 18 114.477 114.975 -0.498 1
1 116 . 17 1 1 A 18 18 CYS H H 18 7.922 8.159 -0.237 1
1 117 . 17 1 1 A 18 18 CYS CA C 18 58.458 59.794 -1.336 1
1 118 . 17 1 1 A 18 18 CYS HA H 18 5.191 4.656 0.535 1
1 119 . 17 1 1 A 18 18 CYS CB C 18 32.615 29.500 3.115 1
1 122 . 17 1 1 A 18 18 CYS C C 18 176.327 175.164 1.163 1
1 123 . 17 1 1 A 19 19 GLY N N 19 113.483 109.628 3.855 1
1 124 . 17 1 1 A 19 19 GLY H H 19 8.278 7.968 0.310 1
1 125 . 17 1 1 A 19 19 GLY CA C 19 46.201 45.206 0.995 1
1 126 . 17 1 1 A 19 19 GLY HA2 H 19 4.245 4.059 0.186 1
1 127 . 17 1 1 A 19 19 GLY HA3 H 19 3.885 4.063 -0.178 1
1 128 . 17 1 1 A 19 19 GLY C C 19 173.983 173.890 0.093 1
1 129 . 17 1 1 A 20 20 LYS N N 20 122.831 119.626 3.205 1
1 130 . 17 1 1 A 20 20 LYS H H 20 7.964 7.732 0.232 1
1 131 . 17 1 1 A 20 20 LYS CA C 20 57.920 54.086 3.834 1
1 132 . 17 1 1 A 20 20 LYS HA H 20 4.054 4.681 -0.627 1
1 133 . 17 1 1 A 20 20 LYS CB C 20 33.613 34.795 -1.182 1
1 145 . 17 1 1 A 20 20 LYS C C 20 174.311 175.230 -0.919 1
1 146 . 17 1 1 A 21 21 SER N N 21 115.065 114.633 0.432 1
1 147 . 17 1 1 A 21 21 SER H H 21 7.780 8.220 -0.440 1
1 148 . 17 1 1 A 21 21 SER CA C 21 56.653 57.114 -0.461 1
1 149 . 17 1 1 A 21 21 SER HA H 21 5.311 5.185 0.126 1
1 150 . 17 1 1 A 21 21 SER CB C 21 66.094 66.522 -0.428 1
1 153 . 17 1 1 A 21 21 SER C C 21 173.133 172.174 0.959 1
1 154 . 17 1 1 A 22 22 PHE N N 22 117.950 120.578 -2.628 1
1 155 . 17 1 1 A 22 22 PHE H H 22 8.696 8.759 -0.063 1
1 156 . 17 1 1 A 22 22 PHE CA C 22 57.415 56.651 0.764 1
1 157 . 17 1 1 A 22 22 PHE HA H 22 4.824 5.035 -0.211 1
1 158 . 17 1 1 A 22 22 PHE CB C 22 43.800 44.113 -0.313 1
1 171 . 17 1 1 A 22 22 PHE C C 22 175.440 175.590 -0.150 1
1 172 . 17 1 1 A 23 23 SER N N 23 116.091 116.446 -0.355 1
1 173 . 17 1 1 A 23 23 SER H H 23 9.091 9.161 -0.070 1
1 174 . 17 1 1 A 23 23 SER CA C 23 61.106 59.770 1.336 1
1 175 . 17 1 1 A 23 23 SER HA H 23 4.681 4.619 0.062 1
1 176 . 17 1 1 A 23 23 SER CB C 23 64.301 65.112 -0.811 1
1 179 . 17 1 1 A 23 23 SER C C 23 173.898 174.164 -0.266 1
1 180 . 17 1 1 A 24 24 ILE N N 24 114.094 116.977 -2.883 1
1 181 . 17 1 1 A 24 24 ILE H H 24 7.324 7.511 -0.187 1
1 182 . 17 1 1 A 24 24 ILE CA C 24 59.668 58.567 1.101 1
1 183 . 17 1 1 A 24 24 ILE HA H 24 4.710 4.339 0.371 1
1 184 . 17 1 1 A 24 24 ILE CB C 24 41.565 40.630 0.935 1
1 197 . 17 1 1 A 24 24 ILE C C 24 176.812 176.301 0.511 1
1 198 . 17 1 1 A 25 25 SER N N 25 122.408 119.102 3.306 1
1 199 . 17 1 1 A 25 25 SER H H 25 8.516 8.503 0.013 1
1 200 . 17 1 1 A 25 25 SER CA C 25 61.632 61.632 0.000 1
1 201 . 17 1 1 A 25 25 SER HA H 25 2.913 3.502 -0.589 1
1 202 . 17 1 1 A 25 25 SER CB C 25 61.900 62.817 -0.917 1
1 205 . 17 1 1 A 25 25 SER C C 25 175.441 176.248 -0.807 1
1 206 . 17 1 1 A 26 26 SER CA C 26 60.783 62.053 -1.270 1
1 207 . 17 1 1 A 26 26 SER HA H 26 4.116 4.049 0.067 1
1 208 . 17 1 1 A 26 26 SER CB C 26 61.616 62.752 -1.136 1
1 211 . 17 1 1 A 26 26 SER C C 26 177.043 176.923 0.120 1
1 212 . 17 1 1 A 27 27 GLN N N 27 120.773 120.949 -0.176 1
1 213 . 17 1 1 A 27 27 GLN H H 27 6.969 8.109 -1.140 1
1 214 . 17 1 1 A 27 27 GLN CA C 27 57.897 58.875 -0.978 1
1 215 . 17 1 1 A 27 27 GLN HA H 27 4.039 3.801 0.238 1
1 216 . 17 1 1 A 27 27 GLN CB C 27 28.426 28.422 0.004 1
1 225 . 17 1 1 A 27 27 GLN C C 27 178.938 177.861 1.077 1
1 226 . 17 1 1 A 28 28 LEU N N 28 120.821 121.368 -0.547 1
1 227 . 17 1 1 A 28 28 LEU H H 28 6.728 7.341 -0.613 1
1 228 . 17 1 1 A 28 28 LEU CA C 28 57.617 57.653 -0.036 1
1 229 . 17 1 1 A 28 28 LEU HA H 28 3.384 3.210 0.174 1
1 230 . 17 1 1 A 28 28 LEU CB C 28 40.143 41.366 -1.223 1
1 243 . 17 1 1 A 28 28 LEU C C 28 177.298 178.059 -0.761 1
1 244 . 17 1 1 A 29 29 ALA N N 29 121.094 120.808 0.286 1
1 245 . 17 1 1 A 29 29 ALA H H 29 7.783 8.562 -0.779 1
1 246 . 17 1 1 A 29 29 ALA CA C 29 55.263 55.398 -0.135 1
1 247 . 17 1 1 A 29 29 ALA HA H 29 4.170 4.075 0.095 1
1 248 . 17 1 1 A 29 29 ALA CB C 29 17.736 18.623 -0.887 1
1 252 . 17 1 1 A 29 29 ALA C C 29 180.735 179.706 1.029 1
1 253 . 17 1 1 A 30 30 THR N N 30 113.821 114.562 -0.741 1
1 254 . 17 1 1 A 30 30 THR H H 30 7.746 7.874 -0.128 1
1 255 . 17 1 1 A 30 30 THR CA C 30 66.306 66.810 -0.504 1
1 256 . 17 1 1 A 30 30 THR HA H 30 3.817 3.799 0.018 1
1 257 . 17 1 1 A 30 30 THR CB C 30 68.819 68.523 0.296 1
1 263 . 17 1 1 A 30 30 THR C C 30 176.566 176.281 0.285 1
1 264 . 17 1 1 A 31 31 HIS N N 31 121.819 119.324 2.495 1
1 265 . 17 1 1 A 31 31 HIS H H 31 7.543 7.953 -0.410 1
1 266 . 17 1 1 A 31 31 HIS CA C 31 59.405 60.321 -0.916 1
1 267 . 17 1 1 A 31 31 HIS HA H 31 4.166 4.092 0.074 1
1 268 . 17 1 1 A 31 31 HIS CB C 31 28.632 29.782 -1.150 1
1 275 . 17 1 1 A 31 31 HIS C C 31 176.084 176.722 -0.638 1
1 276 . 17 1 1 A 32 32 GLN N N 32 115.014 117.478 -2.464 1
1 277 . 17 1 1 A 32 32 GLN H H 32 8.439 8.544 -0.105 1
1 278 . 17 1 1 A 32 32 GLN CA C 32 59.346 58.934 0.412 1
1 279 . 17 1 1 A 32 32 GLN HA H 32 3.717 4.023 -0.306 1
1 280 . 17 1 1 A 32 32 GLN CB C 32 28.356 28.349 0.007 1
1 289 . 17 1 1 A 32 32 GLN C C 32 177.457 178.498 -1.041 1
1 290 . 17 1 1 A 33 33 ARG N N 33 117.225 117.839 -0.614 1
1 291 . 17 1 1 A 33 33 ARG H H 33 7.124 8.587 -1.463 1
1 292 . 17 1 1 A 33 33 ARG CA C 33 58.406 58.704 -0.298 1
1 293 . 17 1 1 A 33 33 ARG HA H 33 4.151 4.139 0.012 1
1 294 . 17 1 1 A 33 33 ARG CB C 33 29.973 30.198 -0.225 1
1 303 . 17 1 1 A 33 33 ARG C C 33 178.610 177.773 0.837 1
1 304 . 17 1 1 A 34 34 ILE N N 34 116.430 115.792 0.638 1
1 305 . 17 1 1 A 34 34 ILE H H 34 7.824 7.783 0.041 1
1 306 . 17 1 1 A 34 34 ILE CA C 34 63.156 63.003 0.153 1
1 307 . 17 1 1 A 34 34 ILE HA H 34 3.975 3.857 0.118 1
1 308 . 17 1 1 A 34 34 ILE CB C 34 37.697 37.171 0.526 1
1 321 . 17 1 1 A 34 34 ILE C C 34 177.432 176.504 0.928 1
1 322 . 17 1 1 A 35 35 HIS N N 35 117.622 119.032 -1.410 1
1 323 . 17 1 1 A 35 35 HIS H H 35 7.205 8.211 -1.006 1
1 324 . 17 1 1 A 35 35 HIS CA C 35 55.332 57.120 -1.788 1
1 325 . 17 1 1 A 35 35 HIS HA H 35 4.866 4.606 0.260 1
1 326 . 17 1 1 A 35 35 HIS CB C 35 28.598 31.679 -3.081 1
1 333 . 17 1 1 A 35 35 HIS C C 35 175.877 175.134 0.743 1
1 334 . 17 1 1 A 36 36 THR N N 36 111.682 110.716 0.966 1
1 335 . 17 1 1 A 36 36 THR H H 36 7.791 7.965 -0.174 1
1 336 . 17 1 1 A 36 36 THR CA C 36 62.540 60.929 1.611 1
1 337 . 17 1 1 A 36 36 THR HA H 36 4.366 4.541 -0.175 1
1 338 . 17 1 1 A 36 36 THR CB C 36 69.869 70.966 -1.097 1
1 344 . 17 1 1 A 36 36 THR C C 36 175.490 173.800 1.690 1
1 345 . 17 1 1 A 37 37 GLY N N 37 111.018 108.364 2.654 1
1 346 . 17 1 1 A 37 37 GLY H H 37 8.462 8.371 0.091 1
1 347 . 17 1 1 A 37 37 GLY CA C 37 45.323 43.971 1.352 1
1 348 . 17 1 1 A 37 37 GLY HA2 H 37 3.967 4.114 -0.147 1
1 349 . 17 1 1 A 37 37 GLY HA3 H 37 4.042 4.118 -0.076 1
1 350 . 17 1 1 A 37 37 GLY C C 37 174.068 173.225 0.843 1
1 351 . 17 1 1 A 38 38 GLU N N 38 120.568 121.460 -0.892 1
1 352 . 17 1 1 A 38 38 GLU H H 38 8.092 8.315 -0.223 1
1 353 . 17 1 1 A 38 38 GLU CA C 38 56.475 56.265 0.210 1
1 354 . 17 1 1 A 38 38 GLU HA H 38 4.262 4.327 -0.065 1
1 355 . 17 1 1 A 38 38 GLU CB C 38 30.555 31.099 -0.544 1
1 361 . 17 1 1 A 38 38 GLU C C 38 176.242 174.990 1.252 1
1 362 . 17 1 1 A 39 39 LYS N N 39 123.829 122.531 1.298 1
1 363 . 17 1 1 A 39 39 LYS H H 39 8.398 8.467 -0.069 1
1 364 . 17 1 1 A 39 39 LYS CA C 39 54.142 52.950 1.192 1
1 365 . 17 1 1 A 39 39 LYS HA H 39 4.624 4.910 -0.286 1
1 366 . 17 1 1 A 39 39 LYS CB C 39 32.528 35.719 -3.191 1
1 378 . 17 1 1 A 40 40 PRO CA C 40 63.167 62.443 0.724 1
1 379 . 17 1 1 A 40 40 PRO HA H 40 4.470 4.546 -0.076 1
1 380 . 17 1 1 A 40 40 PRO CB C 40 32.193 32.584 -0.391 1
1 389 . 17 1 1 A 40 40 PRO C C 40 177.019 176.741 0.278 1
1 390 . 17 1 1 A 41 41 SER N N 41 116.494 117.884 -1.390 1
1 391 . 17 1 1 A 41 41 SER H H 41 8.475 8.470 0.005 1
1 392 . 17 1 1 A 41 41 SER CA C 41 58.355 59.638 -1.283 1
1 393 . 17 1 1 A 41 41 SER HA H 41 4.472 4.227 0.245 1
1 394 . 17 1 1 A 41 41 SER CB C 41 64.047 63.386 0.661 1
1 396 . 17 1 1 A 41 41 SER C C 41 174.761 173.987 0.774 1
1 397 . 17 1 1 A 42 42 GLY CA C 42 44.674 45.531 -0.857 1
1 398 . 17 1 1 A 42 42 GLY HA2 H 42 4.117 4.269 -0.152 1
1 399 . 17 1 1 A 42 42 GLY HA3 H 42 4.175 4.269 -0.094 1
1 400 . 17 1 1 A 43 43 PRO CA C 43 63.252 62.455 0.797 1
1 401 . 17 1 1 A 43 43 PRO HA H 43 4.485 4.586 -0.101 1
1 402 . 17 1 1 A 43 43 PRO CB C 43 32.259 33.255 -0.996 1
1 411 . 17 1 1 A 45 45 SER CA C 45 58.354 57.592 0.762 1
1 412 . 17 1 1 A 45 45 SER HA H 45 4.511 4.919 -0.408 1
1 413 . 17 1 1 A 45 45 SER CB C 45 64.043 64.387 -0.344 1
1 416 . 17 1 1 A 45 45 SER C C 45 173.934 175.183 -1.249 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.446 44.019 1.427 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 4.044 4.170 -0.126 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.517 174.689 -0.172 1
1 4 . 18 1 1 A 8 8 THR N N 8 112.820 112.092 0.728 1
1 5 . 18 1 1 A 8 8 THR H H 8 8.156 8.787 -0.631 1
1 6 . 18 1 1 A 8 8 THR CA C 8 61.841 64.923 -3.082 1
1 7 . 18 1 1 A 8 8 THR HA H 8 4.387 4.247 0.140 1
1 8 . 18 1 1 A 8 8 THR CB C 8 69.860 69.433 0.427 1
1 14 . 18 1 1 A 8 8 THR C C 8 175.270 175.390 -0.120 1
1 15 . 18 1 1 A 9 9 GLY N N 9 110.629 108.444 2.185 1
1 16 . 18 1 1 A 9 9 GLY H H 9 8.224 8.074 0.150 1
1 17 . 18 1 1 A 9 9 GLY CA C 9 45.301 46.764 -1.463 1
1 18 . 18 1 1 A 9 9 GLY HA2 H 9 3.936 3.894 0.042 1
1 19 . 18 1 1 A 9 9 GLY HA3 H 9 3.974 3.898 0.076 1
1 20 . 18 1 1 A 10 10 GLU N N 10 120.185 120.288 -0.103 1
1 21 . 18 1 1 A 10 10 GLU H H 10 8.244 8.474 -0.230 1
1 22 . 18 1 1 A 10 10 GLU CA C 10 56.913 55.844 1.069 1
1 23 . 18 1 1 A 10 10 GLU HA H 10 4.206 4.492 -0.286 1
1 24 . 18 1 1 A 10 10 GLU CB C 10 30.432 30.149 0.283 1
1 30 . 18 1 1 A 11 11 LYS N N 11 121.853 125.172 -3.319 1
1 31 . 18 1 1 A 11 11 LYS H H 11 8.314 8.397 -0.083 1
1 32 . 18 1 1 A 11 11 LYS CA C 11 53.894 52.706 1.188 1
1 33 . 18 1 1 A 11 11 LYS HA H 11 4.547 4.849 -0.302 1
1 34 . 18 1 1 A 11 11 LYS CB C 11 32.861 34.627 -1.766 1
1 45 . 18 1 1 A 11 11 LYS C C 11 174.542 175.664 -1.122 1
1 46 . 18 1 1 A 12 12 PRO CA C 12 63.480 64.515 -1.035 1
1 47 . 18 1 1 A 12 12 PRO HA H 12 4.305 4.268 0.037 1
1 48 . 18 1 1 A 12 12 PRO CB C 12 32.288 31.920 0.368 1
1 57 . 18 1 1 A 12 12 PRO C C 12 176.266 176.231 0.035 1
1 58 . 18 1 1 A 13 13 PHE N N 13 118.209 117.130 1.079 1
1 59 . 18 1 1 A 13 13 PHE H H 13 8.027 7.810 0.217 1
1 60 . 18 1 1 A 13 13 PHE CA C 13 57.480 56.546 0.934 1
1 61 . 18 1 1 A 13 13 PHE HA H 13 4.646 5.129 -0.483 1
1 62 . 18 1 1 A 13 13 PHE CB C 13 39.143 40.308 -1.165 1
1 75 . 18 1 1 A 13 13 PHE C C 13 174.299 174.882 -0.583 1
1 76 . 18 1 1 A 14 14 GLU N N 14 124.594 120.483 4.111 1
1 77 . 18 1 1 A 14 14 GLU H H 14 8.557 9.053 -0.496 1
1 78 . 18 1 1 A 14 14 GLU CA C 14 55.040 54.792 0.248 1
1 79 . 18 1 1 A 14 14 GLU HA H 14 4.808 5.095 -0.287 1
1 80 . 18 1 1 A 14 14 GLU CB C 14 32.995 33.605 -0.610 1
1 86 . 18 1 1 A 14 14 GLU C C 14 175.064 174.783 0.281 1
1 87 . 18 1 1 A 15 15 CYS N N 15 127.042 121.720 5.322 1
1 88 . 18 1 1 A 15 15 CYS H H 15 9.223 9.144 0.079 1
1 89 . 18 1 1 A 15 15 CYS CA C 15 59.448 59.385 0.063 1
1 90 . 18 1 1 A 15 15 CYS HA H 15 4.559 4.584 -0.025 1
1 91 . 18 1 1 A 15 15 CYS CB C 15 29.596 27.828 1.768 1
1 94 . 18 1 1 A 15 15 CYS C C 15 176.934 176.452 0.482 1
1 95 . 18 1 1 A 16 16 ALA N N 16 121.197 130.466 -9.269 1
1 96 . 18 1 1 A 16 16 ALA H H 16 9.386 8.867 0.519 1
1 97 . 18 1 1 A 16 16 ALA CA C 16 54.526 51.684 2.842 1
1 98 . 18 1 1 A 16 16 ALA HA H 16 4.243 4.600 -0.357 1
1 99 . 18 1 1 A 16 16 ALA CB C 16 18.918 19.175 -0.257 1
1 103 . 18 1 1 A 16 16 ALA C C 16 178.161 176.983 1.178 1
1 104 . 18 1 1 A 17 17 GLU N N 17 118.104 117.542 0.562 1
1 105 . 18 1 1 A 17 17 GLU H H 17 8.565 8.002 0.563 1
1 106 . 18 1 1 A 17 17 GLU CA C 17 58.342 57.424 0.918 1
1 107 . 18 1 1 A 17 17 GLU HA H 17 4.183 4.469 -0.286 1
1 108 . 18 1 1 A 17 17 GLU CB C 17 29.540 31.113 -1.573 1
1 114 . 18 1 1 A 17 17 GLU C C 17 177.383 178.505 -1.122 1
1 115 . 18 1 1 A 18 18 CYS N N 18 114.477 115.669 -1.192 1
1 116 . 18 1 1 A 18 18 CYS H H 18 7.922 8.182 -0.260 1
1 117 . 18 1 1 A 18 18 CYS CA C 18 58.458 60.440 -1.982 1
1 118 . 18 1 1 A 18 18 CYS HA H 18 5.191 4.553 0.638 1
1 119 . 18 1 1 A 18 18 CYS CB C 18 32.615 28.361 4.254 1
1 122 . 18 1 1 A 18 18 CYS C C 18 176.327 175.082 1.245 1
1 123 . 18 1 1 A 19 19 GLY N N 19 113.483 109.288 4.195 1
1 124 . 18 1 1 A 19 19 GLY H H 19 8.278 7.925 0.353 1
1 125 . 18 1 1 A 19 19 GLY CA C 19 46.201 45.258 0.943 1
1 126 . 18 1 1 A 19 19 GLY HA2 H 19 4.245 4.058 0.187 1
1 127 . 18 1 1 A 19 19 GLY HA3 H 19 3.885 4.066 -0.181 1
1 128 . 18 1 1 A 19 19 GLY C C 19 173.983 173.820 0.163 1
1 129 . 18 1 1 A 20 20 LYS N N 20 122.831 119.590 3.241 1
1 130 . 18 1 1 A 20 20 LYS H H 20 7.964 7.767 0.197 1
1 131 . 18 1 1 A 20 20 LYS CA C 20 57.920 53.936 3.984 1
1 132 . 18 1 1 A 20 20 LYS HA H 20 4.054 4.740 -0.686 1
1 133 . 18 1 1 A 20 20 LYS CB C 20 33.613 35.523 -1.910 1
1 145 . 18 1 1 A 20 20 LYS C C 20 174.311 174.938 -0.627 1
1 146 . 18 1 1 A 21 21 SER N N 21 115.065 113.412 1.653 1
1 147 . 18 1 1 A 21 21 SER H H 21 7.780 8.638 -0.858 1
1 148 . 18 1 1 A 21 21 SER CA C 21 56.653 55.573 1.080 1
1 149 . 18 1 1 A 21 21 SER HA H 21 5.311 5.333 -0.022 1
1 150 . 18 1 1 A 21 21 SER CB C 21 66.094 66.632 -0.538 1
1 153 . 18 1 1 A 21 21 SER C C 21 173.133 172.706 0.427 1
1 154 . 18 1 1 A 22 22 PHE N N 22 117.950 117.691 0.259 1
1 155 . 18 1 1 A 22 22 PHE H H 22 8.696 8.581 0.115 1
1 156 . 18 1 1 A 22 22 PHE CA C 22 57.415 56.590 0.825 1
1 157 . 18 1 1 A 22 22 PHE HA H 22 4.824 5.053 -0.229 1
1 158 . 18 1 1 A 22 22 PHE CB C 22 43.800 43.975 -0.175 1
1 171 . 18 1 1 A 22 22 PHE C C 22 175.440 175.675 -0.235 1
1 172 . 18 1 1 A 23 23 SER N N 23 116.091 116.320 -0.229 1
1 173 . 18 1 1 A 23 23 SER H H 23 9.091 9.252 -0.161 1
1 174 . 18 1 1 A 23 23 SER CA C 23 61.106 60.069 1.037 1
1 175 . 18 1 1 A 23 23 SER HA H 23 4.681 4.627 0.054 1
1 176 . 18 1 1 A 23 23 SER CB C 23 64.301 64.222 0.079 1
1 179 . 18 1 1 A 23 23 SER C C 23 173.898 174.382 -0.484 1
1 180 . 18 1 1 A 24 24 ILE N N 24 114.094 116.538 -2.444 1
1 181 . 18 1 1 A 24 24 ILE H H 24 7.324 7.516 -0.192 1
1 182 . 18 1 1 A 24 24 ILE CA C 24 59.668 58.464 1.204 1
1 183 . 18 1 1 A 24 24 ILE HA H 24 4.710 4.397 0.313 1
1 184 . 18 1 1 A 24 24 ILE CB C 24 41.565 40.630 0.935 1
1 197 . 18 1 1 A 24 24 ILE C C 24 176.812 176.299 0.513 1
1 198 . 18 1 1 A 25 25 SER N N 25 122.408 116.393 6.015 1
1 199 . 18 1 1 A 25 25 SER H H 25 8.516 8.188 0.328 1
1 200 . 18 1 1 A 25 25 SER CA C 25 61.632 60.894 0.738 1
1 201 . 18 1 1 A 25 25 SER HA H 25 2.913 3.633 -0.720 1
1 202 . 18 1 1 A 25 25 SER CB C 25 61.900 62.201 -0.301 1
1 205 . 18 1 1 A 25 25 SER C C 25 175.441 176.113 -0.672 1
1 206 . 18 1 1 A 26 26 SER CA C 26 60.783 61.571 -0.788 1
1 207 . 18 1 1 A 26 26 SER HA H 26 4.116 3.998 0.118 1
1 208 . 18 1 1 A 26 26 SER CB C 26 61.616 63.015 -1.399 1
1 211 . 18 1 1 A 26 26 SER C C 26 177.043 177.080 -0.037 1
1 212 . 18 1 1 A 27 27 GLN N N 27 120.773 120.462 0.311 1
1 213 . 18 1 1 A 27 27 GLN H H 27 6.969 8.218 -1.249 1
1 214 . 18 1 1 A 27 27 GLN CA C 27 57.897 58.913 -1.016 1
1 215 . 18 1 1 A 27 27 GLN HA H 27 4.039 3.813 0.226 1
1 216 . 18 1 1 A 27 27 GLN CB C 27 28.426 28.055 0.371 1
1 225 . 18 1 1 A 27 27 GLN C C 27 178.938 177.995 0.943 1
1 226 . 18 1 1 A 28 28 LEU N N 28 120.821 121.316 -0.495 1
1 227 . 18 1 1 A 28 28 LEU H H 28 6.728 7.652 -0.924 1
1 228 . 18 1 1 A 28 28 LEU CA C 28 57.617 57.730 -0.113 1
1 229 . 18 1 1 A 28 28 LEU HA H 28 3.384 2.731 0.653 1
1 230 . 18 1 1 A 28 28 LEU CB C 28 40.143 41.903 -1.760 1
1 243 . 18 1 1 A 28 28 LEU C C 28 177.298 177.797 -0.499 1
1 244 . 18 1 1 A 29 29 ALA N N 29 121.094 119.428 1.666 1
1 245 . 18 1 1 A 29 29 ALA H H 29 7.783 8.514 -0.731 1
1 246 . 18 1 1 A 29 29 ALA CA C 29 55.263 55.348 -0.085 1
1 247 . 18 1 1 A 29 29 ALA HA H 29 4.170 3.993 0.177 1
1 248 . 18 1 1 A 29 29 ALA CB C 29 17.736 18.434 -0.698 1
1 252 . 18 1 1 A 29 29 ALA C C 29 180.735 180.192 0.543 1
1 253 . 18 1 1 A 30 30 THR N N 30 113.821 113.548 0.273 1
1 254 . 18 1 1 A 30 30 THR H H 30 7.746 8.385 -0.639 1
1 255 . 18 1 1 A 30 30 THR CA C 30 66.306 65.850 0.456 1
1 256 . 18 1 1 A 30 30 THR HA H 30 3.817 3.968 -0.151 1
1 257 . 18 1 1 A 30 30 THR CB C 30 68.819 68.578 0.241 1
1 263 . 18 1 1 A 30 30 THR C C 30 176.566 176.475 0.091 1
1 264 . 18 1 1 A 31 31 HIS N N 31 121.819 120.278 1.541 1
1 265 . 18 1 1 A 31 31 HIS H H 31 7.543 8.037 -0.494 1
1 266 . 18 1 1 A 31 31 HIS CA C 31 59.405 58.923 0.482 1
1 267 . 18 1 1 A 31 31 HIS HA H 31 4.166 4.241 -0.075 1
1 268 . 18 1 1 A 31 31 HIS CB C 31 28.632 30.141 -1.509 1
1 275 . 18 1 1 A 31 31 HIS C C 31 176.084 177.222 -1.138 1
1 276 . 18 1 1 A 32 32 GLN N N 32 115.014 118.545 -3.531 1
1 277 . 18 1 1 A 32 32 GLN H H 32 8.439 8.757 -0.318 1
1 278 . 18 1 1 A 32 32 GLN CA C 32 59.346 59.153 0.193 1
1 279 . 18 1 1 A 32 32 GLN HA H 32 3.717 4.152 -0.435 1
1 280 . 18 1 1 A 32 32 GLN CB C 32 28.356 28.500 -0.144 1
1 289 . 18 1 1 A 32 32 GLN C C 32 177.457 178.716 -1.259 1
1 290 . 18 1 1 A 33 33 ARG N N 33 117.225 117.886 -0.661 1
1 291 . 18 1 1 A 33 33 ARG H H 33 7.124 7.971 -0.847 1
1 292 . 18 1 1 A 33 33 ARG CA C 33 58.406 58.578 -0.172 1
1 293 . 18 1 1 A 33 33 ARG HA H 33 4.151 4.097 0.054 1
1 294 . 18 1 1 A 33 33 ARG CB C 33 29.973 29.685 0.288 1
1 303 . 18 1 1 A 33 33 ARG C C 33 178.610 177.696 0.914 1
1 304 . 18 1 1 A 34 34 ILE N N 34 116.430 116.105 0.325 1
1 305 . 18 1 1 A 34 34 ILE H H 34 7.824 7.869 -0.045 1
1 306 . 18 1 1 A 34 34 ILE CA C 34 63.156 64.290 -1.134 1
1 307 . 18 1 1 A 34 34 ILE HA H 34 3.975 3.728 0.247 1
1 308 . 18 1 1 A 34 34 ILE CB C 34 37.697 37.058 0.639 1
1 321 . 18 1 1 A 34 34 ILE C C 34 177.432 177.824 -0.392 1
1 322 . 18 1 1 A 35 35 HIS N N 35 117.622 119.596 -1.974 1
1 323 . 18 1 1 A 35 35 HIS H H 35 7.205 7.652 -0.447 1
1 324 . 18 1 1 A 35 35 HIS CA C 35 55.332 59.363 -4.031 1
1 325 . 18 1 1 A 35 35 HIS HA H 35 4.866 4.341 0.525 1
1 326 . 18 1 1 A 35 35 HIS CB C 35 28.598 31.105 -2.507 1
1 333 . 18 1 1 A 35 35 HIS C C 35 175.877 175.967 -0.090 1
1 334 . 18 1 1 A 36 36 THR N N 36 111.682 113.912 -2.230 1
1 335 . 18 1 1 A 36 36 THR H H 36 7.791 7.529 0.262 1
1 336 . 18 1 1 A 36 36 THR CA C 36 62.540 60.381 2.159 1
1 337 . 18 1 1 A 36 36 THR HA H 36 4.366 4.622 -0.256 1
1 338 . 18 1 1 A 36 36 THR CB C 36 69.869 69.928 -0.059 1
1 344 . 18 1 1 A 36 36 THR C C 36 175.490 174.266 1.224 1
1 345 . 18 1 1 A 37 37 GLY N N 37 111.018 115.177 -4.159 1
1 346 . 18 1 1 A 37 37 GLY H H 37 8.462 8.513 -0.051 1
1 347 . 18 1 1 A 37 37 GLY CA C 37 45.323 45.164 0.159 1
1 348 . 18 1 1 A 37 37 GLY HA2 H 37 3.967 4.103 -0.136 1
1 349 . 18 1 1 A 37 37 GLY HA3 H 37 4.042 4.110 -0.068 1
1 350 . 18 1 1 A 37 37 GLY C C 37 174.068 174.425 -0.357 1
1 351 . 18 1 1 A 38 38 GLU N N 38 120.568 119.964 0.604 1
1 352 . 18 1 1 A 38 38 GLU H H 38 8.092 7.807 0.285 1
1 353 . 18 1 1 A 38 38 GLU CA C 38 56.475 55.265 1.210 1
1 354 . 18 1 1 A 38 38 GLU HA H 38 4.262 4.553 -0.291 1
1 355 . 18 1 1 A 38 38 GLU CB C 38 30.555 28.271 2.284 1
1 361 . 18 1 1 A 38 38 GLU C C 38 176.242 175.811 0.431 1
1 362 . 18 1 1 A 39 39 LYS N N 39 123.829 122.966 0.863 1
1 363 . 18 1 1 A 39 39 LYS H H 39 8.398 7.737 0.661 1
1 364 . 18 1 1 A 39 39 LYS CA C 39 54.142 53.936 0.206 1
1 365 . 18 1 1 A 39 39 LYS HA H 39 4.624 4.662 -0.038 1
1 366 . 18 1 1 A 39 39 LYS CB C 39 32.528 32.343 0.185 1
1 378 . 18 1 1 A 40 40 PRO CA C 40 63.167 64.535 -1.368 1
1 379 . 18 1 1 A 40 40 PRO HA H 40 4.470 4.492 -0.022 1
1 380 . 18 1 1 A 40 40 PRO CB C 40 32.193 32.194 -0.001 1
1 389 . 18 1 1 A 40 40 PRO C C 40 177.019 176.396 0.623 1
1 390 . 18 1 1 A 41 41 SER N N 41 116.494 112.133 4.361 1
1 391 . 18 1 1 A 41 41 SER H H 41 8.475 7.533 0.942 1
1 392 . 18 1 1 A 41 41 SER CA C 41 58.355 57.158 1.197 1
1 393 . 18 1 1 A 41 41 SER HA H 41 4.472 4.635 -0.163 1
1 394 . 18 1 1 A 41 41 SER CB C 41 64.047 65.239 -1.192 1
1 396 . 18 1 1 A 41 41 SER C C 41 174.761 174.156 0.605 1
1 397 . 18 1 1 A 42 42 GLY CA C 42 44.674 47.286 -2.612 1
1 398 . 18 1 1 A 42 42 GLY HA2 H 42 4.117 3.893 0.224 1
1 399 . 18 1 1 A 42 42 GLY HA3 H 42 4.175 3.893 0.282 1
1 400 . 18 1 1 A 43 43 PRO CA C 43 63.252 62.520 0.732 1
1 401 . 18 1 1 A 43 43 PRO HA H 43 4.485 4.484 0.001 1
1 402 . 18 1 1 A 43 43 PRO CB C 43 32.259 32.140 0.119 1
1 411 . 18 1 1 A 45 45 SER CA C 45 58.354 59.855 -1.501 1
1 412 . 18 1 1 A 45 45 SER HA H 45 4.511 4.459 0.052 1
1 413 . 18 1 1 A 45 45 SER CB C 45 64.043 64.406 -0.363 1
1 416 . 18 1 1 A 45 45 SER C C 45 173.934 174.697 -0.763 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.446 44.044 1.402 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 4.044 4.197 -0.153 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.517 172.837 1.680 1
1 4 . 19 1 1 A 8 8 THR N N 8 112.820 117.706 -4.886 1
1 5 . 19 1 1 A 8 8 THR H H 8 8.156 8.465 -0.309 1
1 6 . 19 1 1 A 8 8 THR CA C 8 61.841 60.918 0.923 1
1 7 . 19 1 1 A 8 8 THR HA H 8 4.387 4.575 -0.188 1
1 8 . 19 1 1 A 8 8 THR CB C 8 69.860 68.693 1.167 1
1 14 . 19 1 1 A 8 8 THR C C 8 175.270 173.464 1.806 1
1 15 . 19 1 1 A 9 9 GLY N N 9 110.629 110.495 0.134 1
1 16 . 19 1 1 A 9 9 GLY H H 9 8.224 7.465 0.759 1
1 17 . 19 1 1 A 9 9 GLY CA C 9 45.301 45.821 -0.520 1
1 18 . 19 1 1 A 9 9 GLY HA2 H 9 3.936 4.022 -0.086 1
1 19 . 19 1 1 A 9 9 GLY HA3 H 9 3.974 4.022 -0.048 1
1 20 . 19 1 1 A 10 10 GLU N N 10 120.185 117.489 2.696 1
1 21 . 19 1 1 A 10 10 GLU H H 10 8.244 8.680 -0.436 1
1 22 . 19 1 1 A 10 10 GLU CA C 10 56.913 54.697 2.216 1
1 23 . 19 1 1 A 10 10 GLU HA H 10 4.206 5.074 -0.868 1
1 24 . 19 1 1 A 10 10 GLU CB C 10 30.432 33.327 -2.895 1
1 30 . 19 1 1 A 11 11 LYS N N 11 121.853 121.669 0.184 1
1 31 . 19 1 1 A 11 11 LYS H H 11 8.314 8.525 -0.211 1
1 32 . 19 1 1 A 11 11 LYS CA C 11 53.894 52.885 1.009 1
1 33 . 19 1 1 A 11 11 LYS HA H 11 4.547 4.799 -0.252 1
1 34 . 19 1 1 A 11 11 LYS CB C 11 32.861 33.975 -1.114 1
1 45 . 19 1 1 A 11 11 LYS C C 11 174.542 176.100 -1.558 1
1 46 . 19 1 1 A 12 12 PRO CA C 12 63.480 64.235 -0.755 1
1 47 . 19 1 1 A 12 12 PRO HA H 12 4.305 4.289 0.016 1
1 48 . 19 1 1 A 12 12 PRO CB C 12 32.288 31.686 0.602 1
1 57 . 19 1 1 A 12 12 PRO C C 12 176.266 176.097 0.169 1
1 58 . 19 1 1 A 13 13 PHE N N 13 118.209 117.972 0.237 1
1 59 . 19 1 1 A 13 13 PHE H H 13 8.027 7.636 0.391 1
1 60 . 19 1 1 A 13 13 PHE CA C 13 57.480 56.574 0.906 1
1 61 . 19 1 1 A 13 13 PHE HA H 13 4.646 5.214 -0.568 1
1 62 . 19 1 1 A 13 13 PHE CB C 13 39.143 40.879 -1.736 1
1 75 . 19 1 1 A 13 13 PHE C C 13 174.299 174.663 -0.364 1
1 76 . 19 1 1 A 14 14 GLU N N 14 124.594 123.103 1.491 1
1 77 . 19 1 1 A 14 14 GLU H H 14 8.557 8.851 -0.294 1
1 78 . 19 1 1 A 14 14 GLU CA C 14 55.040 54.747 0.293 1
1 79 . 19 1 1 A 14 14 GLU HA H 14 4.808 5.216 -0.408 1
1 80 . 19 1 1 A 14 14 GLU CB C 14 32.995 32.617 0.378 1
1 86 . 19 1 1 A 14 14 GLU C C 14 175.064 175.562 -0.498 1
1 87 . 19 1 1 A 15 15 CYS N N 15 127.042 124.952 2.090 1
1 88 . 19 1 1 A 15 15 CYS H H 15 9.223 9.458 -0.235 1
1 89 . 19 1 1 A 15 15 CYS CA C 15 59.448 60.317 -0.869 1
1 90 . 19 1 1 A 15 15 CYS HA H 15 4.559 4.556 0.003 1
1 91 . 19 1 1 A 15 15 CYS CB C 15 29.596 28.804 0.792 1
1 94 . 19 1 1 A 15 15 CYS C C 15 176.934 176.366 0.568 1
1 95 . 19 1 1 A 16 16 ALA N N 16 121.197 129.804 -8.607 1
1 96 . 19 1 1 A 16 16 ALA H H 16 9.386 8.851 0.535 1
1 97 . 19 1 1 A 16 16 ALA CA C 16 54.526 51.642 2.884 1
1 98 . 19 1 1 A 16 16 ALA HA H 16 4.243 4.634 -0.391 1
1 99 . 19 1 1 A 16 16 ALA CB C 16 18.918 19.238 -0.320 1
1 103 . 19 1 1 A 16 16 ALA C C 16 178.161 177.208 0.953 1
1 104 . 19 1 1 A 17 17 GLU N N 17 118.104 117.356 0.748 1
1 105 . 19 1 1 A 17 17 GLU H H 17 8.565 7.986 0.579 1
1 106 . 19 1 1 A 17 17 GLU CA C 17 58.342 57.323 1.019 1
1 107 . 19 1 1 A 17 17 GLU HA H 17 4.183 4.457 -0.274 1
1 108 . 19 1 1 A 17 17 GLU CB C 17 29.540 31.280 -1.740 1
1 114 . 19 1 1 A 17 17 GLU C C 17 177.383 177.850 -0.467 1
1 115 . 19 1 1 A 18 18 CYS N N 18 114.477 114.965 -0.488 1
1 116 . 19 1 1 A 18 18 CYS H H 18 7.922 8.195 -0.273 1
1 117 . 19 1 1 A 18 18 CYS CA C 18 58.458 59.771 -1.313 1
1 118 . 19 1 1 A 18 18 CYS HA H 18 5.191 4.612 0.579 1
1 119 . 19 1 1 A 18 18 CYS CB C 18 32.615 29.590 3.025 1
1 122 . 19 1 1 A 18 18 CYS C C 18 176.327 175.337 0.990 1
1 123 . 19 1 1 A 19 19 GLY N N 19 113.483 109.775 3.708 1
1 124 . 19 1 1 A 19 19 GLY H H 19 8.278 8.138 0.140 1
1 125 . 19 1 1 A 19 19 GLY CA C 19 46.201 45.552 0.649 1
1 126 . 19 1 1 A 19 19 GLY HA2 H 19 4.245 4.059 0.186 1
1 127 . 19 1 1 A 19 19 GLY HA3 H 19 3.885 4.067 -0.182 1
1 128 . 19 1 1 A 19 19 GLY C C 19 173.983 174.036 -0.053 1
1 129 . 19 1 1 A 20 20 LYS N N 20 122.831 119.422 3.409 1
1 130 . 19 1 1 A 20 20 LYS H H 20 7.964 7.859 0.105 1
1 131 . 19 1 1 A 20 20 LYS CA C 20 57.920 53.798 4.122 1
1 132 . 19 1 1 A 20 20 LYS HA H 20 4.054 4.718 -0.664 1
1 133 . 19 1 1 A 20 20 LYS CB C 20 33.613 35.361 -1.748 1
1 145 . 19 1 1 A 20 20 LYS C C 20 174.311 175.083 -0.772 1
1 146 . 19 1 1 A 21 21 SER N N 21 115.065 113.777 1.288 1
1 147 . 19 1 1 A 21 21 SER H H 21 7.780 8.809 -1.029 1
1 148 . 19 1 1 A 21 21 SER CA C 21 56.653 55.827 0.826 1
1 149 . 19 1 1 A 21 21 SER HA H 21 5.311 5.687 -0.376 1
1 150 . 19 1 1 A 21 21 SER CB C 21 66.094 66.120 -0.026 1
1 153 . 19 1 1 A 21 21 SER C C 21 173.133 173.056 0.077 1
1 154 . 19 1 1 A 22 22 PHE N N 22 117.950 118.906 -0.956 1
1 155 . 19 1 1 A 22 22 PHE H H 22 8.696 8.919 -0.223 1
1 156 . 19 1 1 A 22 22 PHE CA C 22 57.415 56.778 0.637 1
1 157 . 19 1 1 A 22 22 PHE HA H 22 4.824 5.012 -0.188 1
1 158 . 19 1 1 A 22 22 PHE CB C 22 43.800 43.265 0.535 1
1 171 . 19 1 1 A 22 22 PHE C C 22 175.440 175.745 -0.305 1
1 172 . 19 1 1 A 23 23 SER N N 23 116.091 115.140 0.951 1
1 173 . 19 1 1 A 23 23 SER H H 23 9.091 9.145 -0.054 1
1 174 . 19 1 1 A 23 23 SER CA C 23 61.106 59.932 1.174 1
1 175 . 19 1 1 A 23 23 SER HA H 23 4.681 4.734 -0.053 1
1 176 . 19 1 1 A 23 23 SER CB C 23 64.301 64.802 -0.501 1
1 179 . 19 1 1 A 23 23 SER C C 23 173.898 174.749 -0.851 1
1 180 . 19 1 1 A 24 24 ILE N N 24 114.094 117.192 -3.098 1
1 181 . 19 1 1 A 24 24 ILE H H 24 7.324 7.421 -0.097 1
1 182 . 19 1 1 A 24 24 ILE CA C 24 59.668 58.554 1.114 1
1 183 . 19 1 1 A 24 24 ILE HA H 24 4.710 4.443 0.267 1
1 184 . 19 1 1 A 24 24 ILE CB C 24 41.565 41.625 -0.060 1
1 197 . 19 1 1 A 24 24 ILE C C 24 176.812 175.438 1.374 1
1 198 . 19 1 1 A 25 25 SER N N 25 122.408 118.334 4.074 1
1 199 . 19 1 1 A 25 25 SER H H 25 8.516 7.897 0.619 1
1 200 . 19 1 1 A 25 25 SER CA C 25 61.632 60.954 0.678 1
1 201 . 19 1 1 A 25 25 SER HA H 25 2.913 3.340 -0.427 1
1 202 . 19 1 1 A 25 25 SER CB C 25 61.900 62.383 -0.483 1
1 205 . 19 1 1 A 25 25 SER C C 25 175.441 176.214 -0.773 1
1 206 . 19 1 1 A 26 26 SER CA C 26 60.783 61.696 -0.913 1
1 207 . 19 1 1 A 26 26 SER HA H 26 4.116 4.045 0.071 1
1 208 . 19 1 1 A 26 26 SER CB C 26 61.616 63.061 -1.445 1
1 211 . 19 1 1 A 26 26 SER C C 26 177.043 176.595 0.448 1
1 212 . 19 1 1 A 27 27 GLN N N 27 120.773 120.708 0.065 1
1 213 . 19 1 1 A 27 27 GLN H H 27 6.969 7.449 -0.480 1
1 214 . 19 1 1 A 27 27 GLN CA C 27 57.897 58.402 -0.505 1
1 215 . 19 1 1 A 27 27 GLN HA H 27 4.039 4.030 0.009 1
1 216 . 19 1 1 A 27 27 GLN CB C 27 28.426 28.281 0.145 1
1 225 . 19 1 1 A 27 27 GLN C C 27 178.938 177.635 1.303 1
1 226 . 19 1 1 A 28 28 LEU N N 28 120.821 121.628 -0.807 1
1 227 . 19 1 1 A 28 28 LEU H H 28 6.728 7.581 -0.853 1
1 228 . 19 1 1 A 28 28 LEU CA C 28 57.617 57.390 0.227 1
1 229 . 19 1 1 A 28 28 LEU HA H 28 3.384 2.332 1.052 1
1 230 . 19 1 1 A 28 28 LEU CB C 28 40.143 40.945 -0.802 1
1 243 . 19 1 1 A 28 28 LEU C C 28 177.298 177.957 -0.659 1
1 244 . 19 1 1 A 29 29 ALA N N 29 121.094 120.564 0.530 1
1 245 . 19 1 1 A 29 29 ALA H H 29 7.783 8.246 -0.463 1
1 246 . 19 1 1 A 29 29 ALA CA C 29 55.263 55.154 0.109 1
1 247 . 19 1 1 A 29 29 ALA HA H 29 4.170 4.003 0.167 1
1 248 . 19 1 1 A 29 29 ALA CB C 29 17.736 18.440 -0.704 1
1 252 . 19 1 1 A 29 29 ALA C C 29 180.735 179.436 1.299 1
1 253 . 19 1 1 A 30 30 THR N N 30 113.821 113.956 -0.135 1
1 254 . 19 1 1 A 30 30 THR H H 30 7.746 7.571 0.175 1
1 255 . 19 1 1 A 30 30 THR CA C 30 66.306 66.529 -0.223 1
1 256 . 19 1 1 A 30 30 THR HA H 30 3.817 3.911 -0.094 1
1 257 . 19 1 1 A 30 30 THR CB C 30 68.819 68.855 -0.036 1
1 263 . 19 1 1 A 30 30 THR C C 30 176.566 176.561 0.005 1
1 264 . 19 1 1 A 31 31 HIS N N 31 121.819 121.131 0.688 1
1 265 . 19 1 1 A 31 31 HIS H H 31 7.543 7.294 0.249 1
1 266 . 19 1 1 A 31 31 HIS CA C 31 59.405 59.645 -0.240 1
1 267 . 19 1 1 A 31 31 HIS HA H 31 4.166 4.286 -0.120 1
1 268 . 19 1 1 A 31 31 HIS CB C 31 28.632 30.017 -1.385 1
1 275 . 19 1 1 A 31 31 HIS C C 31 176.084 177.292 -1.208 1
1 276 . 19 1 1 A 32 32 GLN N N 32 115.014 117.557 -2.543 1
1 277 . 19 1 1 A 32 32 GLN H H 32 8.439 8.013 0.426 1
1 278 . 19 1 1 A 32 32 GLN CA C 32 59.346 59.102 0.244 1
1 279 . 19 1 1 A 32 32 GLN HA H 32 3.717 3.880 -0.163 1
1 280 . 19 1 1 A 32 32 GLN CB C 32 28.356 28.241 0.115 1
1 289 . 19 1 1 A 32 32 GLN C C 32 177.457 178.844 -1.387 1
1 290 . 19 1 1 A 33 33 ARG N N 33 117.225 119.840 -2.615 1
1 291 . 19 1 1 A 33 33 ARG H H 33 7.124 7.678 -0.554 1
1 292 . 19 1 1 A 33 33 ARG CA C 33 58.406 59.102 -0.696 1
1 293 . 19 1 1 A 33 33 ARG HA H 33 4.151 4.042 0.109 1
1 294 . 19 1 1 A 33 33 ARG CB C 33 29.973 29.931 0.042 1
1 303 . 19 1 1 A 33 33 ARG C C 33 178.610 179.065 -0.455 1
1 304 . 19 1 1 A 34 34 ILE N N 34 116.430 117.036 -0.606 1
1 305 . 19 1 1 A 34 34 ILE H H 34 7.824 7.662 0.162 1
1 306 . 19 1 1 A 34 34 ILE CA C 34 63.156 63.105 0.051 1
1 307 . 19 1 1 A 34 34 ILE HA H 34 3.975 3.872 0.103 1
1 308 . 19 1 1 A 34 34 ILE CB C 34 37.697 37.420 0.277 1
1 321 . 19 1 1 A 34 34 ILE C C 34 177.432 177.304 0.128 1
1 322 . 19 1 1 A 35 35 HIS N N 35 117.622 119.405 -1.783 1
1 323 . 19 1 1 A 35 35 HIS H H 35 7.205 7.304 -0.099 1
1 324 . 19 1 1 A 35 35 HIS CA C 35 55.332 58.591 -3.259 1
1 325 . 19 1 1 A 35 35 HIS HA H 35 4.866 4.426 0.440 1
1 326 . 19 1 1 A 35 35 HIS CB C 35 28.598 30.958 -2.360 1
1 333 . 19 1 1 A 35 35 HIS C C 35 175.877 175.917 -0.040 1
1 334 . 19 1 1 A 36 36 THR N N 36 111.682 108.749 2.933 1
1 335 . 19 1 1 A 36 36 THR H H 36 7.791 7.731 0.060 1
1 336 . 19 1 1 A 36 36 THR CA C 36 62.540 61.286 1.254 1
1 337 . 19 1 1 A 36 36 THR HA H 36 4.366 4.292 0.074 1
1 338 . 19 1 1 A 36 36 THR CB C 36 69.869 68.130 1.739 1
1 344 . 19 1 1 A 36 36 THR C C 36 175.490 174.371 1.119 1
1 345 . 19 1 1 A 37 37 GLY N N 37 111.018 111.438 -0.420 1
1 346 . 19 1 1 A 37 37 GLY H H 37 8.462 7.908 0.554 1
1 347 . 19 1 1 A 37 37 GLY CA C 37 45.323 46.267 -0.944 1
1 348 . 19 1 1 A 37 37 GLY HA2 H 37 3.967 4.190 -0.223 1
1 349 . 19 1 1 A 37 37 GLY HA3 H 37 4.042 4.192 -0.150 1
1 350 . 19 1 1 A 37 37 GLY C C 37 174.068 171.539 2.529 1
1 351 . 19 1 1 A 38 38 GLU N N 38 120.568 123.636 -3.068 1
1 352 . 19 1 1 A 38 38 GLU H H 38 8.092 8.652 -0.560 1
1 353 . 19 1 1 A 38 38 GLU CA C 38 56.475 55.292 1.183 1
1 354 . 19 1 1 A 38 38 GLU HA H 38 4.262 4.902 -0.640 1
1 355 . 19 1 1 A 38 38 GLU CB C 38 30.555 31.767 -1.212 1
1 361 . 19 1 1 A 38 38 GLU C C 38 176.242 175.754 0.488 1
1 362 . 19 1 1 A 39 39 LYS N N 39 123.829 124.178 -0.349 1
1 363 . 19 1 1 A 39 39 LYS H H 39 8.398 8.923 -0.525 1
1 364 . 19 1 1 A 39 39 LYS CA C 39 54.142 53.814 0.328 1
1 365 . 19 1 1 A 39 39 LYS HA H 39 4.624 5.029 -0.405 1
1 366 . 19 1 1 A 39 39 LYS CB C 39 32.528 35.734 -3.206 1
1 378 . 19 1 1 A 40 40 PRO CA C 40 63.167 62.507 0.660 1
1 379 . 19 1 1 A 40 40 PRO HA H 40 4.470 4.645 -0.175 1
1 380 . 19 1 1 A 40 40 PRO CB C 40 32.193 33.240 -1.047 1
1 389 . 19 1 1 A 40 40 PRO C C 40 177.019 175.301 1.718 1
1 390 . 19 1 1 A 41 41 SER N N 41 116.494 116.111 0.383 1
1 391 . 19 1 1 A 41 41 SER H H 41 8.475 8.525 -0.050 1
1 392 . 19 1 1 A 41 41 SER CA C 41 58.355 57.229 1.126 1
1 393 . 19 1 1 A 41 41 SER HA H 41 4.472 5.176 -0.704 1
1 394 . 19 1 1 A 41 41 SER CB C 41 64.047 65.786 -1.739 1
1 396 . 19 1 1 A 41 41 SER C C 41 174.761 173.053 1.708 1
1 397 . 19 1 1 A 42 42 GLY CA C 42 44.674 46.119 -1.445 1
1 398 . 19 1 1 A 42 42 GLY HA2 H 42 4.117 4.052 0.065 1
1 399 . 19 1 1 A 42 42 GLY HA3 H 42 4.175 4.054 0.121 1
1 400 . 19 1 1 A 43 43 PRO CA C 43 63.252 62.850 0.402 1
1 401 . 19 1 1 A 43 43 PRO HA H 43 4.485 4.556 -0.071 1
1 402 . 19 1 1 A 43 43 PRO CB C 43 32.259 31.952 0.307 1
1 411 . 19 1 1 A 45 45 SER CA C 45 58.354 59.038 -0.684 1
1 412 . 19 1 1 A 45 45 SER HA H 45 4.511 4.213 0.298 1
1 413 . 19 1 1 A 45 45 SER CB C 45 64.043 61.295 2.748 1
1 416 . 19 1 1 A 45 45 SER C C 45 173.934 174.144 -0.210 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.446 46.074 -0.628 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 4.044 4.205 -0.161 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.517 173.448 1.069 1
1 4 . 20 1 1 A 8 8 THR N N 8 112.820 112.207 0.613 1
1 5 . 20 1 1 A 8 8 THR H H 8 8.156 8.416 -0.260 1
1 6 . 20 1 1 A 8 8 THR CA C 8 61.841 61.181 0.660 1
1 7 . 20 1 1 A 8 8 THR HA H 8 4.387 4.707 -0.320 1
1 8 . 20 1 1 A 8 8 THR CB C 8 69.860 69.495 0.365 1
1 14 . 20 1 1 A 8 8 THR C C 8 175.270 174.439 0.831 1
1 15 . 20 1 1 A 9 9 GLY N N 9 110.629 109.387 1.242 1
1 16 . 20 1 1 A 9 9 GLY H H 9 8.224 7.323 0.901 1
1 17 . 20 1 1 A 9 9 GLY CA C 9 45.301 45.795 -0.494 1
1 18 . 20 1 1 A 9 9 GLY HA2 H 9 3.936 4.053 -0.117 1
1 19 . 20 1 1 A 9 9 GLY HA3 H 9 3.974 4.059 -0.085 1
1 20 . 20 1 1 A 10 10 GLU N N 10 120.185 124.494 -4.309 1
1 21 . 20 1 1 A 10 10 GLU H H 10 8.244 8.493 -0.249 1
1 22 . 20 1 1 A 10 10 GLU CA C 10 56.913 57.040 -0.127 1
1 23 . 20 1 1 A 10 10 GLU HA H 10 4.206 4.238 -0.032 1
1 24 . 20 1 1 A 10 10 GLU CB C 10 30.432 29.799 0.633 1
1 30 . 20 1 1 A 11 11 LYS N N 11 121.853 124.970 -3.117 1
1 31 . 20 1 1 A 11 11 LYS H H 11 8.314 8.354 -0.040 1
1 32 . 20 1 1 A 11 11 LYS CA C 11 53.894 55.392 -1.498 1
1 33 . 20 1 1 A 11 11 LYS HA H 11 4.547 4.232 0.315 1
1 34 . 20 1 1 A 11 11 LYS CB C 11 32.861 32.531 0.330 1
1 45 . 20 1 1 A 11 11 LYS C C 11 174.542 176.834 -2.292 1
1 46 . 20 1 1 A 12 12 PRO CA C 12 63.480 64.233 -0.753 1
1 47 . 20 1 1 A 12 12 PRO HA H 12 4.305 4.409 -0.104 1
1 48 . 20 1 1 A 12 12 PRO CB C 12 32.288 31.596 0.692 1
1 57 . 20 1 1 A 12 12 PRO C C 12 176.266 176.175 0.091 1
1 58 . 20 1 1 A 13 13 PHE N N 13 118.209 118.168 0.041 1
1 59 . 20 1 1 A 13 13 PHE H H 13 8.027 7.190 0.837 1
1 60 . 20 1 1 A 13 13 PHE CA C 13 57.480 56.429 1.051 1
1 61 . 20 1 1 A 13 13 PHE HA H 13 4.646 5.140 -0.494 1
1 62 . 20 1 1 A 13 13 PHE CB C 13 39.143 41.681 -2.538 1
1 75 . 20 1 1 A 13 13 PHE C C 13 174.299 174.468 -0.169 1
1 76 . 20 1 1 A 14 14 GLU N N 14 124.594 122.866 1.728 1
1 77 . 20 1 1 A 14 14 GLU H H 14 8.557 8.727 -0.170 1
1 78 . 20 1 1 A 14 14 GLU CA C 14 55.040 54.478 0.562 1
1 79 . 20 1 1 A 14 14 GLU HA H 14 4.808 5.067 -0.259 1
1 80 . 20 1 1 A 14 14 GLU CB C 14 32.995 33.377 -0.382 1
1 86 . 20 1 1 A 14 14 GLU C C 14 175.064 175.595 -0.531 1
1 87 . 20 1 1 A 15 15 CYS N N 15 127.042 124.794 2.248 1
1 88 . 20 1 1 A 15 15 CYS H H 15 9.223 9.409 -0.186 1
1 89 . 20 1 1 A 15 15 CYS CA C 15 59.448 59.719 -0.271 1
1 90 . 20 1 1 A 15 15 CYS HA H 15 4.559 4.632 -0.073 1
1 91 . 20 1 1 A 15 15 CYS CB C 15 29.596 28.314 1.282 1
1 94 . 20 1 1 A 15 15 CYS C C 15 176.934 176.561 0.373 1
1 95 . 20 1 1 A 16 16 ALA N N 16 121.197 130.625 -9.428 1
1 96 . 20 1 1 A 16 16 ALA H H 16 9.386 8.895 0.491 1
1 97 . 20 1 1 A 16 16 ALA CA C 16 54.526 52.128 2.398 1
1 98 . 20 1 1 A 16 16 ALA HA H 16 4.243 4.559 -0.316 1
1 99 . 20 1 1 A 16 16 ALA CB C 16 18.918 19.179 -0.261 1
1 103 . 20 1 1 A 16 16 ALA C C 16 178.161 176.772 1.389 1
1 104 . 20 1 1 A 17 17 GLU N N 17 118.104 117.623 0.481 1
1 105 . 20 1 1 A 17 17 GLU H H 17 8.565 8.059 0.506 1
1 106 . 20 1 1 A 17 17 GLU CA C 17 58.342 57.298 1.044 1
1 107 . 20 1 1 A 17 17 GLU HA H 17 4.183 4.473 -0.290 1
1 108 . 20 1 1 A 17 17 GLU CB C 17 29.540 31.296 -1.756 1
1 114 . 20 1 1 A 17 17 GLU C C 17 177.383 177.710 -0.327 1
1 115 . 20 1 1 A 18 18 CYS N N 18 114.477 114.970 -0.493 1
1 116 . 20 1 1 A 18 18 CYS H H 18 7.922 8.128 -0.206 1
1 117 . 20 1 1 A 18 18 CYS CA C 18 58.458 59.903 -1.445 1
1 118 . 20 1 1 A 18 18 CYS HA H 18 5.191 4.661 0.530 1
1 119 . 20 1 1 A 18 18 CYS CB C 18 32.615 29.384 3.231 1
1 122 . 20 1 1 A 18 18 CYS C C 18 176.327 175.261 1.066 1
1 123 . 20 1 1 A 19 19 GLY N N 19 113.483 109.767 3.716 1
1 124 . 20 1 1 A 19 19 GLY H H 19 8.278 8.155 0.123 1
1 125 . 20 1 1 A 19 19 GLY CA C 19 46.201 45.623 0.578 1
1 126 . 20 1 1 A 19 19 GLY HA2 H 19 4.245 4.056 0.189 1
1 127 . 20 1 1 A 19 19 GLY HA3 H 19 3.885 4.058 -0.173 1
1 128 . 20 1 1 A 19 19 GLY C C 19 173.983 174.066 -0.083 1
1 129 . 20 1 1 A 20 20 LYS N N 20 122.831 119.607 3.224 1
1 130 . 20 1 1 A 20 20 LYS H H 20 7.964 7.845 0.119 1
1 131 . 20 1 1 A 20 20 LYS CA C 20 57.920 54.337 3.583 1
1 132 . 20 1 1 A 20 20 LYS HA H 20 4.054 4.597 -0.543 1
1 133 . 20 1 1 A 20 20 LYS CB C 20 33.613 35.108 -1.495 1
1 145 . 20 1 1 A 20 20 LYS C C 20 174.311 175.453 -1.142 1
1 146 . 20 1 1 A 21 21 SER N N 21 115.065 117.080 -2.015 1
1 147 . 20 1 1 A 21 21 SER H H 21 7.780 8.706 -0.926 1
1 148 . 20 1 1 A 21 21 SER CA C 21 56.653 56.438 0.215 1
1 149 . 20 1 1 A 21 21 SER HA H 21 5.311 5.085 0.226 1
1 150 . 20 1 1 A 21 21 SER CB C 21 66.094 65.228 0.866 1
1 153 . 20 1 1 A 21 21 SER C C 21 173.133 173.627 -0.494 1
1 154 . 20 1 1 A 22 22 PHE N N 22 117.950 118.111 -0.161 1
1 155 . 20 1 1 A 22 22 PHE H H 22 8.696 8.649 0.047 1
1 156 . 20 1 1 A 22 22 PHE CA C 22 57.415 57.077 0.338 1
1 157 . 20 1 1 A 22 22 PHE HA H 22 4.824 4.886 -0.062 1
1 158 . 20 1 1 A 22 22 PHE CB C 22 43.800 42.858 0.942 1
1 171 . 20 1 1 A 22 22 PHE C C 22 175.440 175.621 -0.181 1
1 172 . 20 1 1 A 23 23 SER N N 23 116.091 118.237 -2.146 1
1 173 . 20 1 1 A 23 23 SER H H 23 9.091 9.065 0.026 1
1 174 . 20 1 1 A 23 23 SER CA C 23 61.106 61.056 0.050 1
1 175 . 20 1 1 A 23 23 SER HA H 23 4.681 4.472 0.209 1
1 176 . 20 1 1 A 23 23 SER CB C 23 64.301 63.855 0.446 1
1 179 . 20 1 1 A 23 23 SER C C 23 173.898 174.367 -0.469 1
1 180 . 20 1 1 A 24 24 ILE N N 24 114.094 116.578 -2.484 1
1 181 . 20 1 1 A 24 24 ILE H H 24 7.324 7.083 0.241 1
1 182 . 20 1 1 A 24 24 ILE CA C 24 59.668 58.496 1.172 1
1 183 . 20 1 1 A 24 24 ILE HA H 24 4.710 4.702 0.008 1
1 184 . 20 1 1 A 24 24 ILE CB C 24 41.565 40.925 0.640 1
1 197 . 20 1 1 A 24 24 ILE C C 24 176.812 176.267 0.545 1
1 198 . 20 1 1 A 25 25 SER N N 25 122.408 117.795 4.613 1
1 199 . 20 1 1 A 25 25 SER H H 25 8.516 8.905 -0.389 1
1 200 . 20 1 1 A 25 25 SER CA C 25 61.632 61.026 0.606 1
1 201 . 20 1 1 A 25 25 SER HA H 25 2.913 3.221 -0.308 1
1 202 . 20 1 1 A 25 25 SER CB C 25 61.900 61.776 0.124 1
1 205 . 20 1 1 A 25 25 SER C C 25 175.441 176.072 -0.631 1
1 206 . 20 1 1 A 26 26 SER CA C 26 60.783 61.602 -0.819 1
1 207 . 20 1 1 A 26 26 SER HA H 26 4.116 3.941 0.175 1
1 208 . 20 1 1 A 26 26 SER CB C 26 61.616 62.938 -1.322 1
1 211 . 20 1 1 A 26 26 SER C C 26 177.043 177.197 -0.154 1
1 212 . 20 1 1 A 27 27 GLN N N 27 120.773 120.647 0.126 1
1 213 . 20 1 1 A 27 27 GLN H H 27 6.969 8.132 -1.163 1
1 214 . 20 1 1 A 27 27 GLN CA C 27 57.897 59.129 -1.232 1
1 215 . 20 1 1 A 27 27 GLN HA H 27 4.039 3.854 0.185 1
1 216 . 20 1 1 A 27 27 GLN CB C 27 28.426 28.283 0.143 1
1 225 . 20 1 1 A 27 27 GLN C C 27 178.938 177.903 1.035 1
1 226 . 20 1 1 A 28 28 LEU N N 28 120.821 121.498 -0.677 1
1 227 . 20 1 1 A 28 28 LEU H H 28 6.728 7.264 -0.536 1
1 228 . 20 1 1 A 28 28 LEU CA C 28 57.617 57.373 0.244 1
1 229 . 20 1 1 A 28 28 LEU HA H 28 3.384 2.807 0.577 1
1 230 . 20 1 1 A 28 28 LEU CB C 28 40.143 41.308 -1.165 1
1 243 . 20 1 1 A 28 28 LEU C C 28 177.298 178.614 -1.316 1
1 244 . 20 1 1 A 29 29 ALA N N 29 121.094 120.739 0.355 1
1 245 . 20 1 1 A 29 29 ALA H H 29 7.783 8.118 -0.335 1
1 246 . 20 1 1 A 29 29 ALA CA C 29 55.263 55.036 0.227 1
1 247 . 20 1 1 A 29 29 ALA HA H 29 4.170 4.015 0.155 1
1 248 . 20 1 1 A 29 29 ALA CB C 29 17.736 18.318 -0.582 1
1 252 . 20 1 1 A 29 29 ALA C C 29 180.735 180.498 0.237 1
1 253 . 20 1 1 A 30 30 THR N N 30 113.821 113.971 -0.150 1
1 254 . 20 1 1 A 30 30 THR H H 30 7.746 7.771 -0.025 1
1 255 . 20 1 1 A 30 30 THR CA C 30 66.306 64.585 1.721 1
1 256 . 20 1 1 A 30 30 THR HA H 30 3.817 4.039 -0.222 1
1 257 . 20 1 1 A 30 30 THR CB C 30 68.819 68.154 0.665 1
1 263 . 20 1 1 A 30 30 THR C C 30 176.566 176.449 0.117 1
1 264 . 20 1 1 A 31 31 HIS N N 31 121.819 120.782 1.037 1
1 265 . 20 1 1 A 31 31 HIS H H 31 7.543 7.600 -0.057 1
1 266 . 20 1 1 A 31 31 HIS CA C 31 59.405 59.077 0.328 1
1 267 . 20 1 1 A 31 31 HIS HA H 31 4.166 4.234 -0.068 1
1 268 . 20 1 1 A 31 31 HIS CB C 31 28.632 30.257 -1.625 1
1 275 . 20 1 1 A 31 31 HIS C C 31 176.084 177.303 -1.219 1
1 276 . 20 1 1 A 32 32 GLN N N 32 115.014 117.898 -2.884 1
1 277 . 20 1 1 A 32 32 GLN H H 32 8.439 8.557 -0.118 1
1 278 . 20 1 1 A 32 32 GLN CA C 32 59.346 58.974 0.372 1
1 279 . 20 1 1 A 32 32 GLN HA H 32 3.717 3.882 -0.165 1
1 280 . 20 1 1 A 32 32 GLN CB C 32 28.356 28.204 0.152 1
1 289 . 20 1 1 A 32 32 GLN C C 32 177.457 178.178 -0.721 1
1 290 . 20 1 1 A 33 33 ARG N N 33 117.225 117.664 -0.439 1
1 291 . 20 1 1 A 33 33 ARG H H 33 7.124 8.395 -1.271 1
1 292 . 20 1 1 A 33 33 ARG CA C 33 58.406 58.314 0.092 1
1 293 . 20 1 1 A 33 33 ARG HA H 33 4.151 4.114 0.037 1
1 294 . 20 1 1 A 33 33 ARG CB C 33 29.973 29.204 0.769 1
1 303 . 20 1 1 A 33 33 ARG C C 33 178.610 176.790 1.820 1
1 304 . 20 1 1 A 34 34 ILE N N 34 116.430 116.499 -0.069 1
1 305 . 20 1 1 A 34 34 ILE H H 34 7.824 7.713 0.111 1
1 306 . 20 1 1 A 34 34 ILE CA C 34 63.156 63.415 -0.259 1
1 307 . 20 1 1 A 34 34 ILE HA H 34 3.975 3.901 0.074 1
1 308 . 20 1 1 A 34 34 ILE CB C 34 37.697 37.617 0.080 1
1 321 . 20 1 1 A 34 34 ILE C C 34 177.432 176.772 0.660 1
1 322 . 20 1 1 A 35 35 HIS N N 35 117.622 119.353 -1.731 1
1 323 . 20 1 1 A 35 35 HIS H H 35 7.205 8.173 -0.968 1
1 324 . 20 1 1 A 35 35 HIS CA C 35 55.332 56.372 -1.040 1
1 325 . 20 1 1 A 35 35 HIS HA H 35 4.866 4.601 0.265 1
1 326 . 20 1 1 A 35 35 HIS CB C 35 28.598 29.056 -0.458 1
1 333 . 20 1 1 A 35 35 HIS C C 35 175.877 175.878 -0.001 1
1 334 . 20 1 1 A 36 36 THR N N 36 111.682 108.848 2.834 1
1 335 . 20 1 1 A 36 36 THR H H 36 7.791 7.578 0.213 1
1 336 . 20 1 1 A 36 36 THR CA C 36 62.540 61.281 1.259 1
1 337 . 20 1 1 A 36 36 THR HA H 36 4.366 4.521 -0.155 1
1 338 . 20 1 1 A 36 36 THR CB C 36 69.869 68.729 1.140 1
1 344 . 20 1 1 A 36 36 THR C C 36 175.490 174.745 0.745 1
1 345 . 20 1 1 A 37 37 GLY N N 37 111.018 110.670 0.348 1
1 346 . 20 1 1 A 37 37 GLY H H 37 8.462 8.422 0.040 1
1 347 . 20 1 1 A 37 37 GLY CA C 37 45.323 44.769 0.554 1
1 348 . 20 1 1 A 37 37 GLY HA2 H 37 3.967 4.107 -0.140 1
1 349 . 20 1 1 A 37 37 GLY HA3 H 37 4.042 4.114 -0.072 1
1 350 . 20 1 1 A 37 37 GLY C C 37 174.068 174.603 -0.535 1
1 351 . 20 1 1 A 38 38 GLU N N 38 120.568 120.541 0.027 1
1 352 . 20 1 1 A 38 38 GLU H H 38 8.092 8.760 -0.668 1
1 353 . 20 1 1 A 38 38 GLU CA C 38 56.475 56.374 0.101 1
1 354 . 20 1 1 A 38 38 GLU HA H 38 4.262 4.465 -0.203 1
1 355 . 20 1 1 A 38 38 GLU CB C 38 30.555 30.996 -0.441 1
1 361 . 20 1 1 A 38 38 GLU C C 38 176.242 176.730 -0.488 1
1 362 . 20 1 1 A 39 39 LYS N N 39 123.829 121.224 2.605 1
1 363 . 20 1 1 A 39 39 LYS H H 39 8.398 7.316 1.082 1
1 364 . 20 1 1 A 39 39 LYS CA C 39 54.142 54.808 -0.666 1
1 365 . 20 1 1 A 39 39 LYS HA H 39 4.624 4.406 0.218 1
1 366 . 20 1 1 A 39 39 LYS CB C 39 32.528 31.879 0.649 1
1 378 . 20 1 1 A 40 40 PRO CA C 40 63.167 62.852 0.315 1
1 379 . 20 1 1 A 40 40 PRO HA H 40 4.470 4.725 -0.255 1
1 380 . 20 1 1 A 40 40 PRO CB C 40 32.193 32.912 -0.719 1
1 389 . 20 1 1 A 40 40 PRO C C 40 177.019 175.992 1.027 1
1 390 . 20 1 1 A 41 41 SER N N 41 116.494 117.292 -0.798 1
1 391 . 20 1 1 A 41 41 SER H H 41 8.475 8.664 -0.189 1
1 392 . 20 1 1 A 41 41 SER CA C 41 58.355 57.162 1.193 1
1 393 . 20 1 1 A 41 41 SER HA H 41 4.472 4.747 -0.275 1
1 394 . 20 1 1 A 41 41 SER CB C 41 64.047 64.002 0.045 1
1 396 . 20 1 1 A 41 41 SER C C 41 174.761 175.199 -0.438 1
1 397 . 20 1 1 A 42 42 GLY CA C 42 44.674 46.900 -2.226 1
1 398 . 20 1 1 A 42 42 GLY HA2 H 42 4.117 3.866 0.251 1
1 399 . 20 1 1 A 42 42 GLY HA3 H 42 4.175 3.867 0.308 1
1 400 . 20 1 1 A 43 43 PRO CA C 43 63.252 62.722 0.530 1
1 401 . 20 1 1 A 43 43 PRO HA H 43 4.485 4.506 -0.021 1
1 402 . 20 1 1 A 43 43 PRO CB C 43 32.259 31.760 0.499 1
1 411 . 20 1 1 A 45 45 SER CA C 45 58.354 57.055 1.299 1
1 412 . 20 1 1 A 45 45 SER HA H 45 4.511 4.766 -0.255 1
1 413 . 20 1 1 A 45 45 SER CB C 45 64.043 63.830 0.213 1
1 416 . 20 1 1 A 45 45 SER C C 45 173.934 173.833 0.101 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 33 0.853 1
2 1 1 1 "RMS(OBS, PRED)" CA 38 1.386 1
3 1 1 1 "RMS(OBS, PRED)" CB 33 1.248 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.443 1
5 1 1 1 "RMS(OBS, PRED)" HA 42 0.256 1
6 1 1 1 "RMS(OBS, PRED)" N 31 2.611 1
7 1 2 1 "RMS(OBS, PRED)" C 33 0.795 1
8 1 2 1 "RMS(OBS, PRED)" CA 38 1.519 1
9 1 2 1 "RMS(OBS, PRED)" CB 33 1.303 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.388 1
11 1 2 1 "RMS(OBS, PRED)" HA 42 0.343 1
12 1 2 1 "RMS(OBS, PRED)" N 31 2.609 1
13 1 3 1 "RMS(OBS, PRED)" C 33 0.928 1
14 1 3 1 "RMS(OBS, PRED)" CA 38 1.348 1
15 1 3 1 "RMS(OBS, PRED)" CB 33 1.357 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.494 1
17 1 3 1 "RMS(OBS, PRED)" HA 42 0.303 1
18 1 3 1 "RMS(OBS, PRED)" N 31 2.795 1
19 1 4 1 "RMS(OBS, PRED)" C 33 0.899 1
20 1 4 1 "RMS(OBS, PRED)" CA 38 1.291 1
21 1 4 1 "RMS(OBS, PRED)" CB 33 1.400 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.519 1
23 1 4 1 "RMS(OBS, PRED)" HA 42 0.323 1
24 1 4 1 "RMS(OBS, PRED)" N 31 3.190 1
25 1 5 1 "RMS(OBS, PRED)" C 33 0.851 1
26 1 5 1 "RMS(OBS, PRED)" CA 38 1.266 1
27 1 5 1 "RMS(OBS, PRED)" CB 33 1.220 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.447 1
29 1 5 1 "RMS(OBS, PRED)" HA 42 0.271 1
30 1 5 1 "RMS(OBS, PRED)" N 31 2.810 1
31 1 6 1 "RMS(OBS, PRED)" C 33 0.910 1
32 1 6 1 "RMS(OBS, PRED)" CA 38 1.147 1
33 1 6 1 "RMS(OBS, PRED)" CB 33 1.393 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.461 1
35 1 6 1 "RMS(OBS, PRED)" HA 42 0.264 1
36 1 6 1 "RMS(OBS, PRED)" N 31 2.887 1
37 1 7 1 "RMS(OBS, PRED)" C 33 0.894 1
38 1 7 1 "RMS(OBS, PRED)" CA 38 1.440 1
39 1 7 1 "RMS(OBS, PRED)" CB 33 1.338 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.465 1
41 1 7 1 "RMS(OBS, PRED)" HA 42 0.312 1
42 1 7 1 "RMS(OBS, PRED)" N 31 2.702 1
43 1 8 1 "RMS(OBS, PRED)" C 33 0.781 1
44 1 8 1 "RMS(OBS, PRED)" CA 38 1.329 1
45 1 8 1 "RMS(OBS, PRED)" CB 33 1.251 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.431 1
47 1 8 1 "RMS(OBS, PRED)" HA 42 0.310 1
48 1 8 1 "RMS(OBS, PRED)" N 31 2.695 1
49 1 9 1 "RMS(OBS, PRED)" C 33 0.793 1
50 1 9 1 "RMS(OBS, PRED)" CA 38 1.015 1
51 1 9 1 "RMS(OBS, PRED)" CB 33 1.293 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.555 1
53 1 9 1 "RMS(OBS, PRED)" HA 42 0.309 1
54 1 9 1 "RMS(OBS, PRED)" N 31 2.566 1
55 1 10 1 "RMS(OBS, PRED)" C 33 0.852 1
56 1 10 1 "RMS(OBS, PRED)" CA 38 1.175 1
57 1 10 1 "RMS(OBS, PRED)" CB 33 1.282 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.513 1
59 1 10 1 "RMS(OBS, PRED)" HA 42 0.241 1
60 1 10 1 "RMS(OBS, PRED)" N 31 2.779 1
61 1 11 1 "RMS(OBS, PRED)" C 33 0.813 1
62 1 11 1 "RMS(OBS, PRED)" CA 38 1.291 1
63 1 11 1 "RMS(OBS, PRED)" CB 33 1.398 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.539 1
65 1 11 1 "RMS(OBS, PRED)" HA 42 0.290 1
66 1 11 1 "RMS(OBS, PRED)" N 31 3.021 1
67 1 12 1 "RMS(OBS, PRED)" C 33 1.013 1
68 1 12 1 "RMS(OBS, PRED)" CA 38 1.399 1
69 1 12 1 "RMS(OBS, PRED)" CB 33 1.221 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.522 1
71 1 12 1 "RMS(OBS, PRED)" HA 42 0.324 1
72 1 12 1 "RMS(OBS, PRED)" N 31 2.774 1
73 1 13 1 "RMS(OBS, PRED)" C 33 0.854 1
74 1 13 1 "RMS(OBS, PRED)" CA 38 1.419 1
75 1 13 1 "RMS(OBS, PRED)" CB 33 1.166 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.495 1
77 1 13 1 "RMS(OBS, PRED)" HA 42 0.285 1
78 1 13 1 "RMS(OBS, PRED)" N 31 2.813 1
79 1 14 1 "RMS(OBS, PRED)" C 33 0.748 1
80 1 14 1 "RMS(OBS, PRED)" CA 38 1.266 1
81 1 14 1 "RMS(OBS, PRED)" CB 33 1.206 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.459 1
83 1 14 1 "RMS(OBS, PRED)" HA 42 0.280 1
84 1 14 1 "RMS(OBS, PRED)" N 31 3.169 1
85 1 15 1 "RMS(OBS, PRED)" C 33 0.936 1
86 1 15 1 "RMS(OBS, PRED)" CA 38 1.269 1
87 1 15 1 "RMS(OBS, PRED)" CB 33 1.326 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.470 1
89 1 15 1 "RMS(OBS, PRED)" HA 42 0.279 1
90 1 15 1 "RMS(OBS, PRED)" N 31 2.802 1
91 1 16 1 "RMS(OBS, PRED)" C 33 0.782 1
92 1 16 1 "RMS(OBS, PRED)" CA 38 1.221 1
93 1 16 1 "RMS(OBS, PRED)" CB 33 1.464 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.480 1
95 1 16 1 "RMS(OBS, PRED)" HA 42 0.282 1
96 1 16 1 "RMS(OBS, PRED)" N 31 2.725 1
97 1 17 1 "RMS(OBS, PRED)" C 33 0.829 1
98 1 17 1 "RMS(OBS, PRED)" CA 38 1.315 1
99 1 17 1 "RMS(OBS, PRED)" CB 33 1.348 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.498 1
101 1 17 1 "RMS(OBS, PRED)" HA 42 0.285 1
102 1 17 1 "RMS(OBS, PRED)" N 31 2.454 1
103 1 18 1 "RMS(OBS, PRED)" C 33 0.712 1
104 1 18 1 "RMS(OBS, PRED)" CA 38 1.573 1
105 1 18 1 "RMS(OBS, PRED)" CB 33 1.318 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.536 1
107 1 18 1 "RMS(OBS, PRED)" HA 42 0.303 1
108 1 18 1 "RMS(OBS, PRED)" N 31 3.100 1
109 1 19 1 "RMS(OBS, PRED)" C 33 1.071 1
110 1 19 1 "RMS(OBS, PRED)" CA 38 1.323 1
111 1 19 1 "RMS(OBS, PRED)" CB 33 1.464 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.452 1
113 1 19 1 "RMS(OBS, PRED)" HA 42 0.369 1
114 1 19 1 "RMS(OBS, PRED)" N 31 2.611 1
115 1 20 1 "RMS(OBS, PRED)" C 33 0.870 1
116 1 20 1 "RMS(OBS, PRED)" CA 38 1.125 1
117 1 20 1 "RMS(OBS, PRED)" CB 33 1.083 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.559 1
119 1 20 1 "RMS(OBS, PRED)" HA 42 0.255 1
120 1 20 1 "RMS(OBS, PRED)" N 31 2.688 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.446 45.558 -0.112 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 4.044 4.106 -0.062 2
1 3 . 1 1 A 7 7 GLY C C 7 174.517 174.024 0.493 2
1 4 . 1 1 A 8 8 THR N N 8 112.820 115.458 -2.638 2
1 5 . 1 1 A 8 8 THR H H 8 8.156 8.417 -0.261 2
1 6 . 1 1 A 8 8 THR CA C 8 61.841 62.207 -0.366 2
1 7 . 1 1 A 8 8 THR HA H 8 4.387 4.487 -0.100 2
1 8 . 1 1 A 8 8 THR CB C 8 69.860 69.380 0.480 2
1 14 . 1 1 A 8 8 THR C C 8 175.270 174.347 0.923 2
1 15 . 1 1 A 9 9 GLY N N 9 110.629 110.415 0.214 2
1 16 . 1 1 A 9 9 GLY H H 9 8.224 7.873 0.351 2
1 17 . 1 1 A 9 9 GLY CA C 9 45.301 45.375 -0.074 2
1 18 . 1 1 A 9 9 GLY HA2 H 9 3.936 4.059 -0.123 2
1 19 . 1 1 A 9 9 GLY HA3 H 9 3.974 4.062 -0.088 2
1 20 . 1 1 A 10 10 GLU N N 10 120.185 120.475 -0.290 2
1 21 . 1 1 A 10 10 GLU H H 10 8.244 8.577 -0.333 2
1 22 . 1 1 A 10 10 GLU CA C 10 56.913 55.954 0.959 2
1 23 . 1 1 A 10 10 GLU HA H 10 4.206 4.646 -0.440 2
1 24 . 1 1 A 10 10 GLU CB C 10 30.432 31.106 -0.674 2
1 30 . 1 1 A 11 11 LYS N N 11 121.853 122.711 -0.858 2
1 31 . 1 1 A 11 11 LYS H H 11 8.314 8.171 0.143 2
1 32 . 1 1 A 11 11 LYS CA C 11 53.894 53.600 0.294 2
1 33 . 1 1 A 11 11 LYS HA H 11 4.547 4.751 -0.204 2
1 34 . 1 1 A 11 11 LYS CB C 11 32.861 33.302 -0.441 2
1 45 . 1 1 A 11 11 LYS C C 11 174.542 176.077 -1.535 2
1 46 . 1 1 A 12 12 PRO CA C 12 63.480 64.391 -0.911 2
1 47 . 1 1 A 12 12 PRO HA H 12 4.305 4.347 -0.042 2
1 48 . 1 1 A 12 12 PRO CB C 12 32.288 31.726 0.562 2
1 57 . 1 1 A 12 12 PRO C C 12 176.266 176.150 0.116 2
1 58 . 1 1 A 13 13 PHE N N 13 118.209 117.802 0.407 2
1 59 . 1 1 A 13 13 PHE H H 13 8.027 7.667 0.360 2
1 60 . 1 1 A 13 13 PHE CA C 13 57.480 56.627 0.853 2
1 61 . 1 1 A 13 13 PHE HA H 13 4.646 5.089 -0.443 2
1 62 . 1 1 A 13 13 PHE CB C 13 39.143 40.453 -1.310 2
1 75 . 1 1 A 13 13 PHE C C 13 174.299 174.507 -0.208 2
1 76 . 1 1 A 14 14 GLU N N 14 124.594 123.511 1.083 2
1 77 . 1 1 A 14 14 GLU H H 14 8.557 8.972 -0.415 2
1 78 . 1 1 A 14 14 GLU CA C 14 55.040 54.780 0.260 2
1 79 . 1 1 A 14 14 GLU HA H 14 4.808 5.165 -0.357 2
1 80 . 1 1 A 14 14 GLU CB C 14 32.995 33.221 -0.226 2
1 86 . 1 1 A 14 14 GLU C C 14 175.064 175.297 -0.233 2
1 87 . 1 1 A 15 15 CYS N N 15 127.042 124.570 2.472 2
1 88 . 1 1 A 15 15 CYS H H 15 9.223 9.238 -0.015 2
1 89 . 1 1 A 15 15 CYS CA C 15 59.448 59.366 0.082 2
1 90 . 1 1 A 15 15 CYS HA H 15 4.559 4.674 -0.115 2
1 91 . 1 1 A 15 15 CYS CB C 15 29.596 28.775 0.821 2
1 94 . 1 1 A 15 15 CYS C C 15 176.934 175.943 0.991 2
1 95 . 1 1 A 16 16 ALA N N 16 121.197 129.434 -8.237 2
1 96 . 1 1 A 16 16 ALA H H 16 9.386 8.722 0.664 2
1 97 . 1 1 A 16 16 ALA CA C 16 54.526 51.936 2.590 2
1 98 . 1 1 A 16 16 ALA HA H 16 4.243 4.561 -0.318 2
1 99 . 1 1 A 16 16 ALA CB C 16 18.918 19.362 -0.444 2
1 103 . 1 1 A 16 16 ALA C C 16 178.161 177.554 0.606 2
1 104 . 1 1 A 17 17 GLU N N 17 118.104 117.772 0.332 2
1 105 . 1 1 A 17 17 GLU H H 17 8.565 7.909 0.656 2
1 106 . 1 1 A 17 17 GLU CA C 17 58.342 57.720 0.622 2
1 107 . 1 1 A 17 17 GLU HA H 17 4.183 4.353 -0.170 2
1 108 . 1 1 A 17 17 GLU CB C 17 29.540 30.894 -1.354 2
1 114 . 1 1 A 17 17 GLU C C 17 177.383 177.945 -0.562 2
1 115 . 1 1 A 18 18 CYS N N 18 114.477 114.968 -0.491 2
1 116 . 1 1 A 18 18 CYS H H 18 7.922 7.984 -0.062 2
1 117 . 1 1 A 18 18 CYS CA C 18 58.458 59.790 -1.332 2
1 118 . 1 1 A 18 18 CYS HA H 18 5.191 4.664 0.527 2
1 119 . 1 1 A 18 18 CYS CB C 18 32.615 29.660 2.955 2
1 122 . 1 1 A 18 18 CYS C C 18 176.327 175.345 0.982 2
1 123 . 1 1 A 19 19 GLY N N 19 113.483 109.780 3.703 2
1 124 . 1 1 A 19 19 GLY H H 19 8.278 8.141 0.137 2
1 125 . 1 1 A 19 19 GLY CA C 19 46.201 45.497 0.704 2
1 126 . 1 1 A 19 19 GLY HA2 H 19 4.245 4.061 0.184 2
1 127 . 1 1 A 19 19 GLY HA3 H 19 3.885 4.066 -0.181 2
1 128 . 1 1 A 19 19 GLY C C 19 173.983 174.045 -0.062 2
1 129 . 1 1 A 20 20 LYS N N 20 122.831 120.138 2.693 2
1 130 . 1 1 A 20 20 LYS H H 20 7.964 7.795 0.169 2
1 131 . 1 1 A 20 20 LYS CA C 20 57.920 54.498 3.422 2
1 132 . 1 1 A 20 20 LYS HA H 20 4.054 4.638 -0.584 2
1 133 . 1 1 A 20 20 LYS CB C 20 33.613 35.016 -1.403 2
1 145 . 1 1 A 20 20 LYS C C 20 174.311 175.185 -0.874 2
1 146 . 1 1 A 21 21 SER N N 21 115.065 116.109 -1.044 2
1 147 . 1 1 A 21 21 SER H H 21 7.780 8.511 -0.731 2
1 148 . 1 1 A 21 21 SER CA C 21 56.653 56.386 0.267 2
1 149 . 1 1 A 21 21 SER HA H 21 5.311 5.355 -0.044 2
1 150 . 1 1 A 21 21 SER CB C 21 66.094 66.085 0.009 2
1 153 . 1 1 A 21 21 SER C C 21 173.133 172.965 0.168 2
1 154 . 1 1 A 22 22 PHE N N 22 117.950 118.773 -0.823 2
1 155 . 1 1 A 22 22 PHE H H 22 8.696 8.582 0.114 2
1 156 . 1 1 A 22 22 PHE CA C 22 57.415 56.772 0.643 2
1 157 . 1 1 A 22 22 PHE HA H 22 4.824 4.977 -0.153 2
1 158 . 1 1 A 22 22 PHE CB C 22 43.800 43.617 0.183 2
1 171 . 1 1 A 22 22 PHE C C 22 175.440 175.648 -0.208 2
1 172 . 1 1 A 23 23 SER N N 23 116.091 116.179 -0.088 2
1 173 . 1 1 A 23 23 SER H H 23 9.091 9.033 0.058 2
1 174 . 1 1 A 23 23 SER CA C 23 61.106 60.733 0.373 2
1 175 . 1 1 A 23 23 SER HA H 23 4.681 4.600 0.081 2
1 176 . 1 1 A 23 23 SER CB C 23 64.301 64.176 0.125 2
1 179 . 1 1 A 23 23 SER C C 23 173.898 174.544 -0.646 2
1 180 . 1 1 A 24 24 ILE N N 24 114.094 117.365 -3.271 2
1 181 . 1 1 A 24 24 ILE H H 24 7.324 7.498 -0.174 2
1 182 . 1 1 A 24 24 ILE CA C 24 59.668 58.612 1.056 2
1 183 . 1 1 A 24 24 ILE HA H 24 4.710 4.597 0.113 2
1 184 . 1 1 A 24 24 ILE CB C 24 41.565 40.818 0.747 2
1 197 . 1 1 A 24 24 ILE C C 24 176.812 175.955 0.857 2
1 198 . 1 1 A 25 25 SER N N 25 122.408 117.674 4.734 2
1 199 . 1 1 A 25 25 SER H H 25 8.516 8.459 0.057 2
1 200 . 1 1 A 25 25 SER CA C 25 61.632 60.852 0.779 2
1 201 . 1 1 A 25 25 SER HA H 25 2.913 3.220 -0.307 2
1 202 . 1 1 A 25 25 SER CB C 25 61.900 62.342 -0.442 2
1 205 . 1 1 A 25 25 SER C C 25 175.441 176.245 -0.804 2
1 206 . 1 1 A 26 26 SER CA C 26 60.783 61.641 -0.858 2
1 207 . 1 1 A 26 26 SER HA H 26 4.116 4.015 0.101 2
1 208 . 1 1 A 26 26 SER CB C 26 61.616 62.831 -1.215 2
1 211 . 1 1 A 26 26 SER C C 26 177.043 176.875 0.168 2
1 212 . 1 1 A 27 27 GLN N N 27 120.773 120.966 -0.193 2
1 213 . 1 1 A 27 27 GLN H H 27 6.969 7.902 -0.933 2
1 214 . 1 1 A 27 27 GLN CA C 27 57.897 58.751 -0.854 2
1 215 . 1 1 A 27 27 GLN HA H 27 4.039 3.891 0.148 2
1 216 . 1 1 A 27 27 GLN CB C 27 28.426 28.233 0.193 2
1 225 . 1 1 A 27 27 GLN C C 27 178.938 177.938 1.000 2
1 226 . 1 1 A 28 28 LEU N N 28 120.821 121.451 -0.630 2
1 227 . 1 1 A 28 28 LEU H H 28 6.728 7.551 -0.823 2
1 228 . 1 1 A 28 28 LEU CA C 28 57.617 57.433 0.184 2
1 229 . 1 1 A 28 28 LEU HA H 28 3.384 2.796 0.588 2
1 230 . 1 1 A 28 28 LEU CB C 28 40.143 41.260 -1.117 2
1 243 . 1 1 A 28 28 LEU C C 28 177.298 178.050 -0.752 2
1 244 . 1 1 A 29 29 ALA N N 29 121.094 120.526 0.568 2
1 245 . 1 1 A 29 29 ALA H H 29 7.783 8.308 -0.525 2
1 246 . 1 1 A 29 29 ALA CA C 29 55.263 55.207 0.056 2
1 247 . 1 1 A 29 29 ALA HA H 29 4.170 4.013 0.157 2
1 248 . 1 1 A 29 29 ALA CB C 29 17.736 18.479 -0.743 2
1 252 . 1 1 A 29 29 ALA C C 29 180.735 179.983 0.752 2
1 253 . 1 1 A 30 30 THR N N 30 113.821 113.946 -0.125 2
1 254 . 1 1 A 30 30 THR H H 30 7.746 7.902 -0.155 2
1 255 . 1 1 A 30 30 THR CA C 30 66.306 65.392 0.914 2
1 256 . 1 1 A 30 30 THR HA H 30 3.817 3.960 -0.143 2
1 257 . 1 1 A 30 30 THR CB C 30 68.819 68.424 0.395 2
1 263 . 1 1 A 30 30 THR C C 30 176.566 176.492 0.074 2
1 264 . 1 1 A 31 31 HIS N N 31 121.819 120.748 1.071 2
1 265 . 1 1 A 31 31 HIS H H 31 7.543 7.777 -0.234 2
1 266 . 1 1 A 31 31 HIS CA C 31 59.405 59.227 0.178 2
1 267 . 1 1 A 31 31 HIS HA H 31 4.166 4.216 -0.050 2
1 268 . 1 1 A 31 31 HIS CB C 31 28.632 30.102 -1.470 2
1 275 . 1 1 A 31 31 HIS C C 31 176.084 177.195 -1.111 2
1 276 . 1 1 A 32 32 GLN N N 32 115.014 118.051 -3.037 2
1 277 . 1 1 A 32 32 GLN H H 32 8.439 8.480 -0.041 2
1 278 . 1 1 A 32 32 GLN CA C 32 59.346 59.046 0.300 2
1 279 . 1 1 A 32 32 GLN HA H 32 3.717 3.950 -0.233 2
1 280 . 1 1 A 32 32 GLN CB C 32 28.356 28.339 0.017 2
1 289 . 1 1 A 32 32 GLN C C 32 177.457 178.539 -1.082 2
1 290 . 1 1 A 33 33 ARG N N 33 117.225 118.710 -1.486 2
1 291 . 1 1 A 33 33 ARG H H 33 7.124 7.908 -0.784 2
1 292 . 1 1 A 33 33 ARG CA C 33 58.406 58.821 -0.415 2
1 293 . 1 1 A 33 33 ARG HA H 33 4.151 4.094 0.057 2
1 294 . 1 1 A 33 33 ARG CB C 33 29.973 29.947 0.026 2
1 303 . 1 1 A 33 33 ARG C C 33 178.610 178.184 0.426 2
1 304 . 1 1 A 34 34 ILE N N 34 116.430 116.545 -0.115 2
1 305 . 1 1 A 34 34 ILE H H 34 7.824 7.741 0.083 2
1 306 . 1 1 A 34 34 ILE CA C 34 63.156 63.610 -0.454 2
1 307 . 1 1 A 34 34 ILE HA H 34 3.975 3.792 0.183 2
1 308 . 1 1 A 34 34 ILE CB C 34 37.697 37.227 0.470 2
1 321 . 1 1 A 34 34 ILE C C 34 177.432 177.347 0.085 2
1 322 . 1 1 A 35 35 HIS N N 35 117.622 119.639 -2.017 2
1 323 . 1 1 A 35 35 HIS H H 35 7.205 7.711 -0.506 2
1 324 . 1 1 A 35 35 HIS CA C 35 55.332 58.401 -3.069 2
1 325 . 1 1 A 35 35 HIS HA H 35 4.866 4.447 0.419 2
1 326 . 1 1 A 35 35 HIS CB C 35 28.598 30.920 -2.322 2
1 333 . 1 1 A 35 35 HIS C C 35 175.877 175.832 0.045 2
1 334 . 1 1 A 36 36 THR N N 36 111.682 111.087 0.595 2
1 335 . 1 1 A 36 36 THR H H 36 7.791 7.739 0.052 2
1 336 . 1 1 A 36 36 THR CA C 36 62.540 61.780 0.760 2
1 337 . 1 1 A 36 36 THR HA H 36 4.366 4.327 0.039 2
1 338 . 1 1 A 36 36 THR CB C 36 69.869 69.245 0.624 2
1 344 . 1 1 A 36 36 THR C C 36 175.490 174.737 0.753 2
1 345 . 1 1 A 37 37 GLY N N 37 111.018 112.328 -1.310 2
1 346 . 1 1 A 37 37 GLY H H 37 8.462 8.303 0.159 2
1 347 . 1 1 A 37 37 GLY CA C 37 45.323 45.543 -0.220 2
1 348 . 1 1 A 37 37 GLY HA2 H 37 3.967 4.016 -0.049 2
1 349 . 1 1 A 37 37 GLY HA3 H 37 4.042 4.022 0.020 2
1 350 . 1 1 A 37 37 GLY C C 37 174.068 173.759 0.309 2
1 351 . 1 1 A 38 38 GLU N N 38 120.568 120.778 -0.210 2
1 352 . 1 1 A 38 38 GLU H H 38 8.092 8.295 -0.203 2
1 353 . 1 1 A 38 38 GLU CA C 38 56.475 55.814 0.661 2
1 354 . 1 1 A 38 38 GLU HA H 38 4.262 4.579 -0.317 2
1 355 . 1 1 A 38 38 GLU CB C 38 30.555 30.840 -0.285 2
1 361 . 1 1 A 38 38 GLU C C 38 176.242 175.333 0.909 2
1 362 . 1 1 A 39 39 LYS N N 39 123.829 122.197 1.632 2
1 363 . 1 1 A 39 39 LYS H H 39 8.398 8.218 0.180 2
1 364 . 1 1 A 39 39 LYS CA C 39 54.142 53.921 0.221 2
1 365 . 1 1 A 39 39 LYS HA H 39 4.624 4.735 -0.111 2
1 366 . 1 1 A 39 39 LYS CB C 39 32.528 34.466 -1.938 2
1 378 . 1 1 A 40 40 PRO CA C 40 63.167 63.398 -0.231 2
1 379 . 1 1 A 40 40 PRO HA H 40 4.470 4.550 -0.080 2
1 380 . 1 1 A 40 40 PRO CB C 40 32.193 31.726 0.467 2
1 389 . 1 1 A 40 40 PRO C C 40 177.019 176.526 0.493 2
1 390 . 1 1 A 41 41 SER N N 41 116.494 115.153 1.341 2
1 391 . 1 1 A 41 41 SER H H 41 8.475 8.276 0.199 2
1 392 . 1 1 A 41 41 SER CA C 41 58.355 58.550 -0.195 2
1 393 . 1 1 A 41 41 SER HA H 41 4.472 4.571 -0.099 2
1 394 . 1 1 A 41 41 SER CB C 41 64.047 64.093 -0.046 2
1 396 . 1 1 A 41 41 SER C C 41 174.761 174.338 0.423 2
1 397 . 1 1 A 42 42 GLY CA C 42 44.674 45.793 -1.119 2
1 398 . 1 1 A 42 42 GLY HA2 H 42 4.117 4.093 0.024 2
1 399 . 1 1 A 42 42 GLY HA3 H 42 4.175 4.094 0.081 2
1 400 . 1 1 A 43 43 PRO CA C 43 63.252 63.048 0.204 2
1 401 . 1 1 A 43 43 PRO HA H 43 4.485 4.559 -0.074 2
1 402 . 1 1 A 43 43 PRO CB C 43 32.259 32.534 -0.275 2
1 411 . 1 1 A 45 45 SER CA C 45 58.354 58.447 -0.093 2
1 412 . 1 1 A 45 45 SER HA H 45 4.511 4.663 -0.152 2
1 413 . 1 1 A 45 45 SER CB C 45 64.043 64.162 -0.119 2
1 416 . 1 1 A 45 45 SER C C 45 173.934 174.389 -0.455 2
stop_
save_