data_10182_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10182
_Entry.PDB_ID 2EME
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 9 9 GLY CA C 9 45.457 44.370 1.087 1
1 2 . 1 1 1 A 9 9 GLY HA2 H 9 3.947 4.142 -0.195 1
1 3 . 1 1 1 A 10 10 GLU N N 10 120.021 119.071 0.950 1
1 4 . 1 1 1 A 10 10 GLU H H 10 8.232 8.467 -0.235 1
1 5 . 1 1 1 A 10 10 GLU CA C 10 56.989 56.666 0.323 1
1 6 . 1 1 1 A 10 10 GLU HA H 10 4.186 4.218 -0.032 1
1 7 . 1 1 1 A 10 10 GLU CB C 10 30.382 29.689 0.693 1
1 13 . 1 1 1 A 11 11 LYS N N 11 121.247 124.392 -3.145 1
1 14 . 1 1 1 A 11 11 LYS H H 11 8.262 8.750 -0.488 1
1 15 . 1 1 1 A 11 11 LYS CA C 11 53.662 53.248 0.414 1
1 16 . 1 1 1 A 11 11 LYS HA H 11 4.556 4.746 -0.190 1
1 17 . 1 1 1 A 11 11 LYS CB C 11 33.383 33.333 0.050 1
1 29 . 1 1 1 A 12 12 PRO CA C 12 63.504 64.462 -0.958 1
1 30 . 1 1 1 A 12 12 PRO HA H 12 4.297 4.337 -0.040 1
1 31 . 1 1 1 A 12 12 PRO CB C 12 32.319 31.709 0.610 1
1 37 . 1 1 1 A 12 12 PRO C C 12 176.573 175.780 0.793 1
1 41 . 1 1 1 A 13 13 TYR N N 13 119.490 117.914 1.576 1
1 42 . 1 1 1 A 13 13 TYR H H 13 7.903 7.443 0.460 1
1 43 . 1 1 1 A 13 13 TYR CA C 13 57.922 57.051 0.871 1
1 44 . 1 1 1 A 13 13 TYR HA H 13 4.582 4.907 -0.325 1
1 45 . 1 1 1 A 13 13 TYR CB C 13 37.887 37.192 0.695 1
1 55 . 1 1 1 A 13 13 TYR C C 13 174.376 174.686 -0.310 1
1 57 . 1 1 1 A 14 14 VAL N N 14 125.513 124.323 1.190 1
1 58 . 1 1 1 A 14 14 VAL H H 14 8.446 8.933 -0.487 1
1 59 . 1 1 1 A 14 14 VAL CA C 14 61.477 59.692 1.785 1
1 60 . 1 1 1 A 14 14 VAL HA H 14 4.552 5.314 -0.762 1
1 61 . 1 1 1 A 14 14 VAL CB C 14 34.386 34.222 0.164 1
1 71 . 1 1 1 A 14 14 VAL C C 14 175.372 174.252 1.120 1
1 72 . 1 1 1 A 15 15 CYS N N 15 129.259 126.624 2.635 1
1 73 . 1 1 1 A 15 15 CYS H H 15 9.292 9.479 -0.187 1
1 74 . 1 1 1 A 15 15 CYS CA C 15 60.158 59.695 0.463 1
1 75 . 1 1 1 A 15 15 CYS HA H 15 4.513 4.725 -0.212 1
1 76 . 1 1 1 A 15 15 CYS CB C 15 29.975 28.603 1.372 1
1 78 . 1 1 1 A 15 15 CYS C C 15 176.962 174.591 2.371 1
1 80 . 1 1 1 A 16 16 ASP N N 16 115.898 126.388 -10.490 1
1 81 . 1 1 1 A 16 16 ASP H H 16 9.396 9.088 0.308 1
1 82 . 1 1 1 A 16 16 ASP CA C 16 56.513 56.021 0.492 1
1 83 . 1 1 1 A 16 16 ASP HA H 16 4.402 4.645 -0.243 1
1 84 . 1 1 1 A 16 16 ASP CB C 16 40.801 41.669 -0.868 1
1 86 . 1 1 1 A 16 16 ASP C C 16 176.136 177.565 -1.429 1
1 88 . 1 1 1 A 17 17 TYR N N 17 119.369 120.592 -1.223 1
1 89 . 1 1 1 A 17 17 TYR H H 17 8.841 8.444 0.397 1
1 90 . 1 1 1 A 17 17 TYR CA C 17 60.339 62.197 -1.858 1
1 91 . 1 1 1 A 17 17 TYR HA H 17 4.242 3.952 0.290 1
1 92 . 1 1 1 A 17 17 TYR CB C 17 37.705 38.353 -0.648 1
1 102 . 1 1 1 A 17 17 TYR C C 17 177.144 177.950 -0.806 1
1 104 . 1 1 1 A 18 18 CYS N N 18 114.506 115.473 -0.967 1
1 105 . 1 1 1 A 18 18 CYS H H 18 7.999 7.579 0.420 1
1 106 . 1 1 1 A 18 18 CYS CA C 18 58.405 59.738 -1.333 1
1 107 . 1 1 1 A 18 18 CYS HA H 18 5.187 4.705 0.482 1
1 108 . 1 1 1 A 18 18 CYS CB C 18 32.949 29.730 3.219 1
1 110 . 1 1 1 A 18 18 CYS C C 18 176.258 175.433 0.825 1
1 112 . 1 1 1 A 19 19 GLY N N 19 113.706 110.402 3.304 1
1 113 . 1 1 1 A 19 19 GLY H H 19 8.288 8.283 0.005 1
1 114 . 1 1 1 A 19 19 GLY CA C 19 46.197 45.376 0.821 1
1 115 . 1 1 1 A 19 19 GLY HA3 H 19 4.220 4.098 0.122 1
1 116 . 1 1 1 A 19 19 GLY C C 19 173.563 174.489 -0.926 1
1 117 . 1 1 1 A 19 19 GLY HA2 H 19 3.750 4.080 -0.330 1
1 118 . 1 1 1 A 20 20 LYS N N 20 123.570 121.591 1.979 1
1 119 . 1 1 1 A 20 20 LYS H H 20 8.091 7.985 0.106 1
1 120 . 1 1 1 A 20 20 LYS CA C 20 58.371 55.187 3.184 1
1 121 . 1 1 1 A 20 20 LYS HA H 20 3.934 4.425 -0.491 1
1 122 . 1 1 1 A 20 20 LYS CB C 20 33.556 33.556 0.000 1
1 130 . 1 1 1 A 20 20 LYS C C 20 173.490 175.210 -1.720 1
1 135 . 1 1 1 A 21 21 ALA N N 21 124.602 126.752 -2.150 1
1 136 . 1 1 1 A 21 21 ALA H H 21 7.707 8.371 -0.664 1
1 137 . 1 1 1 A 21 21 ALA CA C 21 50.258 49.752 0.506 1
1 138 . 1 1 1 A 21 21 ALA HA H 21 5.182 5.373 -0.191 1
1 139 . 1 1 1 A 21 21 ALA CB C 21 22.647 21.966 0.681 1
1 143 . 1 1 1 A 21 21 ALA C C 21 176.452 175.822 0.630 1
1 144 . 1 1 1 A 22 22 PHE N N 22 117.531 117.790 -0.259 1
1 145 . 1 1 1 A 22 22 PHE H H 22 8.993 8.660 0.333 1
1 146 . 1 1 1 A 22 22 PHE CA C 22 57.291 56.346 0.945 1
1 147 . 1 1 1 A 22 22 PHE HA H 22 4.681 4.870 -0.189 1
1 148 . 1 1 1 A 22 22 PHE CB C 22 43.492 42.669 0.823 1
1 160 . 1 1 1 A 22 22 PHE C C 22 175.518 176.266 -0.748 1
1 162 . 1 1 1 A 23 23 GLY N N 23 108.429 111.007 -2.578 1
1 163 . 1 1 1 A 23 23 GLY H H 23 9.218 8.898 0.320 1
1 164 . 1 1 1 A 23 23 GLY CA C 23 46.310 47.183 -0.873 1
1 165 . 1 1 1 A 23 23 GLY HA3 H 23 4.441 3.988 0.453 1
1 166 . 1 1 1 A 23 23 GLY C C 23 173.456 174.270 -0.814 1
1 167 . 1 1 1 A 23 23 GLY HA2 H 23 4.101 3.934 0.167 1
1 168 . 1 1 1 A 24 24 LEU N N 24 117.612 121.631 -4.019 1
1 169 . 1 1 1 A 24 24 LEU H H 24 7.590 7.777 -0.187 1
1 170 . 1 1 1 A 24 24 LEU CA C 24 53.046 53.420 -0.374 1
1 171 . 1 1 1 A 24 24 LEU HA H 24 4.876 4.543 0.333 1
1 172 . 1 1 1 A 24 24 LEU CB C 24 45.217 44.202 1.015 1
1 184 . 1 1 1 A 24 24 LEU C C 24 177.375 177.071 0.304 1
1 186 . 1 1 1 A 25 25 SER N N 25 121.264 121.831 -0.567 1
1 187 . 1 1 1 A 25 25 SER H H 25 8.392 8.616 -0.224 1
1 188 . 1 1 1 A 25 25 SER CA C 25 61.134 61.436 -0.302 1
1 189 . 1 1 1 A 25 25 SER HA H 25 3.053 3.652 -0.599 1
1 190 . 1 1 1 A 25 25 SER CB C 25 61.763 62.156 -0.393 1
1 193 . 1 1 1 A 26 26 ALA N N 26 120.264 122.955 -2.691 1
1 194 . 1 1 1 A 26 26 ALA H H 26 8.540 8.015 0.525 1
1 195 . 1 1 1 A 26 26 ALA CA C 26 54.998 55.108 -0.110 1
1 196 . 1 1 1 A 26 26 ALA HA H 26 3.941 3.899 0.042 1
1 197 . 1 1 1 A 26 26 ALA CB C 26 18.632 18.546 0.086 1
1 201 . 1 1 1 A 26 26 ALA C C 26 180.701 180.072 0.629 1
1 202 . 1 1 1 A 27 27 GLU N N 27 114.495 118.043 -3.548 1
1 203 . 1 1 1 A 27 27 GLU H H 27 6.760 7.714 -0.954 1
1 204 . 1 1 1 A 27 27 GLU CA C 27 58.170 59.128 -0.958 1
1 205 . 1 1 1 A 27 27 GLU HA H 27 3.847 3.948 -0.101 1
1 206 . 1 1 1 A 27 27 GLU CB C 27 30.158 29.615 0.543 1
1 210 . 1 1 1 A 27 27 GLU C C 27 178.856 178.980 -0.124 1
1 213 . 1 1 1 A 28 28 LEU N N 28 121.928 121.640 0.288 1
1 214 . 1 1 1 A 28 28 LEU H H 28 6.961 7.344 -0.383 1
1 215 . 1 1 1 A 28 28 LEU CA C 28 57.950 57.402 0.548 1
1 216 . 1 1 1 A 28 28 LEU HA H 28 3.347 2.642 0.705 1
1 217 . 1 1 1 A 28 28 LEU CB C 28 40.130 41.348 -1.218 1
1 229 . 1 1 1 A 28 28 LEU C C 28 177.702 178.314 -0.612 1
1 231 . 1 1 1 A 29 29 VAL N N 29 119.082 119.056 0.026 1
1 232 . 1 1 1 A 29 29 VAL H H 29 8.093 8.231 -0.138 1
1 233 . 1 1 1 A 29 29 VAL CA C 29 66.576 66.889 -0.313 1
1 234 . 1 1 1 A 29 29 VAL HA H 29 3.614 3.415 0.199 1
1 235 . 1 1 1 A 29 29 VAL CB C 29 31.696 31.459 0.237 1
1 245 . 1 1 1 A 29 29 VAL C C 29 178.880 177.769 1.111 1
1 246 . 1 1 1 A 30 30 ARG N N 30 117.780 120.484 -2.704 1
1 247 . 1 1 1 A 30 30 ARG H H 30 7.334 8.165 -0.831 1
1 248 . 1 1 1 A 30 30 ARG CA C 30 59.465 58.288 1.177 1
1 249 . 1 1 1 A 30 30 ARG HA H 30 3.919 4.048 -0.129 1
1 250 . 1 1 1 A 30 30 ARG CB C 30 30.372 29.891 0.481 1
1 255 . 1 1 1 A 30 30 ARG C C 30 178.976 178.310 0.666 1
1 259 . 1 1 1 A 31 31 HIS N N 31 118.952 120.204 -1.252 1
1 260 . 1 1 1 A 31 31 HIS H H 31 7.707 7.558 0.149 1
1 261 . 1 1 1 A 31 31 HIS CA C 31 59.106 59.488 -0.382 1
1 262 . 1 1 1 A 31 31 HIS HA H 31 4.197 4.136 0.061 1
1 263 . 1 1 1 A 31 31 HIS CB C 31 28.625 29.684 -1.059 1
1 269 . 1 1 1 A 31 31 HIS C C 31 176.294 176.791 -0.497 1
1 271 . 1 1 1 A 32 32 GLN N N 32 114.837 117.130 -2.293 1
1 272 . 1 1 1 A 32 32 GLN H H 32 8.512 8.212 0.300 1
1 273 . 1 1 1 A 32 32 GLN CA C 32 59.527 59.018 0.509 1
1 274 . 1 1 1 A 32 32 GLN HA H 32 3.682 3.704 -0.022 1
1 275 . 1 1 1 A 32 32 GLN CB C 32 28.414 28.259 0.155 1
1 282 . 1 1 1 A 32 32 GLN C C 32 177.046 178.565 -1.519 1
1 285 . 1 1 1 A 33 33 ARG N N 33 117.734 119.970 -2.236 1
1 286 . 1 1 1 A 33 33 ARG H H 33 7.088 8.124 -1.036 1
1 287 . 1 1 1 A 33 33 ARG CA C 33 58.432 58.962 -0.530 1
1 288 . 1 1 1 A 33 33 ARG HA H 33 4.115 3.999 0.116 1
1 289 . 1 1 1 A 33 33 ARG CB C 33 30.016 29.795 0.221 1
1 294 . 1 1 1 A 33 33 ARG C C 33 178.394 178.653 -0.259 1
1 298 . 1 1 1 A 34 34 ILE N N 34 115.478 117.714 -2.236 1
1 299 . 1 1 1 A 34 34 ILE H H 34 7.677 7.728 -0.051 1
1 300 . 1 1 1 A 34 34 ILE CA C 34 63.060 64.151 -1.091 1
1 301 . 1 1 1 A 34 34 ILE HA H 34 3.947 3.656 0.291 1
1 302 . 1 1 1 A 34 34 ILE CB C 34 37.660 37.191 0.469 1
1 314 . 1 1 1 A 34 34 ILE C C 34 177.059 177.315 -0.256 1
1 316 . 1 1 1 A 35 35 HIS N N 35 117.439 119.425 -1.986 1
1 317 . 1 1 1 A 35 35 HIS H H 35 7.180 7.601 -0.421 1
1 318 . 1 1 1 A 35 35 HIS CA C 35 54.820 58.586 -3.766 1
1 319 . 1 1 1 A 35 35 HIS HA H 35 4.666 4.080 0.586 1
1 320 . 1 1 1 A 35 35 HIS CB C 35 28.012 30.906 -2.894 1
1 326 . 1 1 1 A 35 35 HIS C C 35 175.578 175.615 -0.037 1
1 328 . 1 1 1 A 36 36 THR N N 36 111.209 107.600 3.609 1
1 329 . 1 1 1 A 36 36 THR H H 36 7.590 7.777 -0.187 1
1 330 . 1 1 1 A 36 36 THR CA C 36 62.494 60.986 1.508 1
1 331 . 1 1 1 A 36 36 THR HA H 36 4.246 4.451 -0.205 1
1 332 . 1 1 1 A 36 36 THR CB C 36 69.710 70.421 -0.711 1
1 338 . 1 1 1 A 36 36 THR C C 36 175.421 173.346 2.075 1
1 339 . 1 1 1 A 37 37 GLY N N 37 110.931 112.035 -1.104 1
1 340 . 1 1 1 A 37 37 GLY H H 37 8.251 9.108 -0.857 1
1 341 . 1 1 1 A 37 37 GLY CA C 37 45.328 44.858 0.470 1
1 342 . 1 1 1 A 37 37 GLY HA3 H 37 4.007 4.177 -0.170 1
1 343 . 1 1 1 A 37 37 GLY HA2 H 37 3.933 4.173 -0.240 1
1 344 . 1 1 1 A 38 38 GLU N N 38 120.496 124.371 -3.875 1
1 345 . 1 1 1 A 38 38 GLU H H 38 8.060 8.894 -0.834 1
1 346 . 1 1 1 A 38 38 GLU CA C 38 56.420 54.548 1.872 1
1 347 . 1 1 1 A 38 38 GLU HA H 38 4.251 4.730 -0.479 1
1 348 . 1 1 1 A 38 38 GLU CB C 38 30.580 33.401 -2.821 1
1 354 . 1 1 1 A 39 39 LYS N N 39 123.793 118.741 5.052 1
1 355 . 1 1 1 A 39 39 LYS H H 39 8.427 8.704 -0.277 1
1 356 . 1 1 1 A 39 39 LYS CA C 39 54.155 56.897 -2.742 1
1 357 . 1 1 1 A 39 39 LYS HA H 39 4.574 3.751 0.823 1
1 358 . 1 1 1 A 39 39 LYS CB C 39 32.536 30.639 1.897 1
1 370 . 1 1 1 A 40 40 PRO CA C 40 63.229 62.591 0.638 1
1 371 . 1 1 1 A 40 40 PRO HA H 40 4.432 4.590 -0.158 1
1 372 . 1 1 1 A 40 40 PRO CB C 40 32.117 30.376 1.741 1
1 381 . 1 1 1 A 41 41 SER N N 41 116.420 116.707 -0.287 1
1 382 . 1 1 1 A 41 41 SER H H 41 8.435 8.228 0.207 1
1 383 . 1 1 1 A 43 43 PRO CA C 43 63.289 62.505 0.784 1
1 384 . 1 1 1 A 43 43 PRO HA H 43 4.477 4.700 -0.223 1
1 385 . 1 1 1 A 43 43 PRO CB C 43 32.212 30.061 2.151 1
1 394 . 1 1 1 A 45 45 SER CA C 45 58.417 57.894 0.523 1
1 395 . 1 1 1 A 45 45 SER HA H 45 4.517 5.163 -0.646 1
1 396 . 1 1 1 A 45 45 SER CB C 45 63.947 65.786 -1.839 1
1 397 . 1 1 1 A 45 45 SER C C 45 173.927 172.880 1.047 1
1 1 . 2 1 1 A 9 9 GLY CA C 9 45.457 45.620 -0.163 1
1 2 . 2 1 1 A 9 9 GLY HA2 H 9 3.947 4.161 -0.214 1
1 3 . 2 1 1 A 10 10 GLU N N 10 120.021 119.073 0.948 1
1 4 . 2 1 1 A 10 10 GLU H H 10 8.232 8.508 -0.276 1
1 5 . 2 1 1 A 10 10 GLU CA C 10 56.989 55.033 1.956 1
1 6 . 2 1 1 A 10 10 GLU HA H 10 4.186 4.779 -0.593 1
1 7 . 2 1 1 A 10 10 GLU CB C 10 30.382 32.834 -2.452 1
1 13 . 2 1 1 A 11 11 LYS N N 11 121.247 123.365 -2.118 1
1 14 . 2 1 1 A 11 11 LYS H H 11 8.262 8.335 -0.073 1
1 15 . 2 1 1 A 11 11 LYS CA C 11 53.662 53.068 0.594 1
1 16 . 2 1 1 A 11 11 LYS HA H 11 4.556 4.855 -0.299 1
1 17 . 2 1 1 A 11 11 LYS CB C 11 33.383 34.342 -0.959 1
1 29 . 2 1 1 A 12 12 PRO CA C 12 63.504 64.717 -1.213 1
1 30 . 2 1 1 A 12 12 PRO HA H 12 4.297 4.297 0.000 1
1 31 . 2 1 1 A 12 12 PRO CB C 12 32.319 31.604 0.715 1
1 37 . 2 1 1 A 12 12 PRO C C 12 176.573 175.827 0.746 1
1 41 . 2 1 1 A 13 13 TYR N N 13 119.490 117.912 1.578 1
1 42 . 2 1 1 A 13 13 TYR H H 13 7.903 7.338 0.565 1
1 43 . 2 1 1 A 13 13 TYR CA C 13 57.922 57.191 0.731 1
1 44 . 2 1 1 A 13 13 TYR HA H 13 4.582 4.876 -0.294 1
1 45 . 2 1 1 A 13 13 TYR CB C 13 37.887 38.624 -0.737 1
1 55 . 2 1 1 A 13 13 TYR C C 13 174.376 174.746 -0.370 1
1 57 . 2 1 1 A 14 14 VAL N N 14 125.513 123.184 2.329 1
1 58 . 2 1 1 A 14 14 VAL H H 14 8.446 8.920 -0.474 1
1 59 . 2 1 1 A 14 14 VAL CA C 14 61.477 59.951 1.526 1
1 60 . 2 1 1 A 14 14 VAL HA H 14 4.552 5.342 -0.790 1
1 61 . 2 1 1 A 14 14 VAL CB C 14 34.386 34.947 -0.561 1
1 71 . 2 1 1 A 14 14 VAL C C 14 175.372 173.705 1.667 1
1 72 . 2 1 1 A 15 15 CYS N N 15 129.259 127.000 2.259 1
1 73 . 2 1 1 A 15 15 CYS H H 15 9.292 9.363 -0.071 1
1 74 . 2 1 1 A 15 15 CYS CA C 15 60.158 60.191 -0.033 1
1 75 . 2 1 1 A 15 15 CYS HA H 15 4.513 4.580 -0.067 1
1 76 . 2 1 1 A 15 15 CYS CB C 15 29.975 28.600 1.375 1
1 78 . 2 1 1 A 15 15 CYS C C 15 176.962 174.593 2.369 1
1 80 . 2 1 1 A 16 16 ASP N N 16 115.898 127.631 -11.733 1
1 81 . 2 1 1 A 16 16 ASP H H 16 9.396 8.981 0.415 1
1 82 . 2 1 1 A 16 16 ASP CA C 16 56.513 56.616 -0.103 1
1 83 . 2 1 1 A 16 16 ASP HA H 16 4.402 4.514 -0.112 1
1 84 . 2 1 1 A 16 16 ASP CB C 16 40.801 40.508 0.293 1
1 86 . 2 1 1 A 16 16 ASP C C 16 176.136 177.518 -1.382 1
1 88 . 2 1 1 A 17 17 TYR N N 17 119.369 121.789 -2.420 1
1 89 . 2 1 1 A 17 17 TYR H H 17 8.841 8.185 0.656 1
1 90 . 2 1 1 A 17 17 TYR CA C 17 60.339 61.918 -1.579 1
1 91 . 2 1 1 A 17 17 TYR HA H 17 4.242 3.883 0.359 1
1 92 . 2 1 1 A 17 17 TYR CB C 17 37.705 38.128 -0.423 1
1 102 . 2 1 1 A 17 17 TYR C C 17 177.144 177.596 -0.452 1
1 104 . 2 1 1 A 18 18 CYS N N 18 114.506 115.312 -0.806 1
1 105 . 2 1 1 A 18 18 CYS H H 18 7.999 7.599 0.400 1
1 106 . 2 1 1 A 18 18 CYS CA C 18 58.405 59.628 -1.223 1
1 107 . 2 1 1 A 18 18 CYS HA H 18 5.187 4.784 0.403 1
1 108 . 2 1 1 A 18 18 CYS CB C 18 32.949 30.161 2.788 1
1 110 . 2 1 1 A 18 18 CYS C C 18 176.258 175.474 0.784 1
1 112 . 2 1 1 A 19 19 GLY N N 19 113.706 110.118 3.588 1
1 113 . 2 1 1 A 19 19 GLY H H 19 8.288 8.195 0.093 1
1 114 . 2 1 1 A 19 19 GLY CA C 19 46.197 45.425 0.772 1
1 115 . 2 1 1 A 19 19 GLY HA3 H 19 4.220 4.087 0.133 1
1 116 . 2 1 1 A 19 19 GLY C C 19 173.563 174.168 -0.605 1
1 117 . 2 1 1 A 19 19 GLY HA2 H 19 3.750 4.075 -0.325 1
1 118 . 2 1 1 A 20 20 LYS N N 20 123.570 119.671 3.899 1
1 119 . 2 1 1 A 20 20 LYS H H 20 8.091 7.840 0.251 1
1 120 . 2 1 1 A 20 20 LYS CA C 20 58.371 54.657 3.714 1
1 121 . 2 1 1 A 20 20 LYS HA H 20 3.934 4.404 -0.470 1
1 122 . 2 1 1 A 20 20 LYS CB C 20 33.556 33.450 0.106 1
1 130 . 2 1 1 A 20 20 LYS C C 20 173.490 175.703 -2.213 1
1 135 . 2 1 1 A 21 21 ALA N N 21 124.602 126.196 -1.594 1
1 136 . 2 1 1 A 21 21 ALA H H 21 7.707 8.445 -0.738 1
1 137 . 2 1 1 A 21 21 ALA CA C 21 50.258 50.915 -0.657 1
1 138 . 2 1 1 A 21 21 ALA HA H 21 5.182 4.974 0.208 1
1 139 . 2 1 1 A 21 21 ALA CB C 21 22.647 20.754 1.893 1
1 143 . 2 1 1 A 21 21 ALA C C 21 176.452 176.336 0.116 1
1 144 . 2 1 1 A 22 22 PHE N N 22 117.531 117.920 -0.389 1
1 145 . 2 1 1 A 22 22 PHE H H 22 8.993 9.173 -0.180 1
1 146 . 2 1 1 A 22 22 PHE CA C 22 57.291 56.671 0.620 1
1 147 . 2 1 1 A 22 22 PHE HA H 22 4.681 4.910 -0.229 1
1 148 . 2 1 1 A 22 22 PHE CB C 22 43.492 43.146 0.346 1
1 160 . 2 1 1 A 22 22 PHE C C 22 175.518 176.270 -0.752 1
1 162 . 2 1 1 A 23 23 GLY N N 23 108.429 112.386 -3.957 1
1 163 . 2 1 1 A 23 23 GLY H H 23 9.218 8.901 0.317 1
1 164 . 2 1 1 A 23 23 GLY CA C 23 46.310 45.752 0.558 1
1 165 . 2 1 1 A 23 23 GLY HA3 H 23 4.441 4.053 0.388 1
1 166 . 2 1 1 A 23 23 GLY C C 23 173.456 173.696 -0.240 1
1 167 . 2 1 1 A 23 23 GLY HA2 H 23 4.101 3.971 0.130 1
1 168 . 2 1 1 A 24 24 LEU N N 24 117.612 120.249 -2.637 1
1 169 . 2 1 1 A 24 24 LEU H H 24 7.590 7.448 0.142 1
1 170 . 2 1 1 A 24 24 LEU CA C 24 53.046 52.934 0.112 1
1 171 . 2 1 1 A 24 24 LEU HA H 24 4.876 4.659 0.217 1
1 172 . 2 1 1 A 24 24 LEU CB C 24 45.217 46.017 -0.800 1
1 184 . 2 1 1 A 24 24 LEU C C 24 177.375 175.997 1.378 1
1 186 . 2 1 1 A 25 25 SER N N 25 121.264 116.772 4.492 1
1 187 . 2 1 1 A 25 25 SER H H 25 8.392 8.416 -0.024 1
1 188 . 2 1 1 A 25 25 SER CA C 25 61.134 60.708 0.426 1
1 189 . 2 1 1 A 25 25 SER HA H 25 3.053 3.318 -0.265 1
1 190 . 2 1 1 A 25 25 SER CB C 25 61.763 62.316 -0.553 1
1 193 . 2 1 1 A 26 26 ALA N N 26 120.264 122.164 -1.900 1
1 194 . 2 1 1 A 26 26 ALA H H 26 8.540 8.093 0.447 1
1 195 . 2 1 1 A 26 26 ALA CA C 26 54.998 55.274 -0.276 1
1 196 . 2 1 1 A 26 26 ALA HA H 26 3.941 3.841 0.100 1
1 197 . 2 1 1 A 26 26 ALA CB C 26 18.632 18.474 0.158 1
1 201 . 2 1 1 A 26 26 ALA C C 26 180.701 179.979 0.722 1
1 202 . 2 1 1 A 27 27 GLU N N 27 114.495 117.929 -3.434 1
1 203 . 2 1 1 A 27 27 GLU H H 27 6.760 7.960 -1.200 1
1 204 . 2 1 1 A 27 27 GLU CA C 27 58.170 59.280 -1.110 1
1 205 . 2 1 1 A 27 27 GLU HA H 27 3.847 3.882 -0.035 1
1 206 . 2 1 1 A 27 27 GLU CB C 27 30.158 29.293 0.865 1
1 210 . 2 1 1 A 27 27 GLU C C 27 178.856 178.662 0.194 1
1 213 . 2 1 1 A 28 28 LEU N N 28 121.928 121.771 0.157 1
1 214 . 2 1 1 A 28 28 LEU H H 28 6.961 7.106 -0.145 1
1 215 . 2 1 1 A 28 28 LEU CA C 28 57.950 57.864 0.086 1
1 216 . 2 1 1 A 28 28 LEU HA H 28 3.347 3.063 0.284 1
1 217 . 2 1 1 A 28 28 LEU CB C 28 40.130 41.615 -1.485 1
1 229 . 2 1 1 A 28 28 LEU C C 28 177.702 178.401 -0.699 1
1 231 . 2 1 1 A 29 29 VAL N N 29 119.082 119.537 -0.455 1
1 232 . 2 1 1 A 29 29 VAL H H 29 8.093 7.770 0.323 1
1 233 . 2 1 1 A 29 29 VAL CA C 29 66.576 67.139 -0.563 1
1 234 . 2 1 1 A 29 29 VAL HA H 29 3.614 3.476 0.138 1
1 235 . 2 1 1 A 29 29 VAL CB C 29 31.696 31.509 0.187 1
1 245 . 2 1 1 A 29 29 VAL C C 29 178.880 177.734 1.146 1
1 246 . 2 1 1 A 30 30 ARG N N 30 117.780 118.982 -1.202 1
1 247 . 2 1 1 A 30 30 ARG H H 30 7.334 8.465 -1.131 1
1 248 . 2 1 1 A 30 30 ARG CA C 30 59.465 59.725 -0.260 1
1 249 . 2 1 1 A 30 30 ARG HA H 30 3.919 3.935 -0.016 1
1 250 . 2 1 1 A 30 30 ARG CB C 30 30.372 29.704 0.668 1
1 255 . 2 1 1 A 30 30 ARG C C 30 178.976 178.891 0.085 1
1 259 . 2 1 1 A 31 31 HIS N N 31 118.952 120.042 -1.090 1
1 260 . 2 1 1 A 31 31 HIS H H 31 7.707 7.779 -0.072 1
1 261 . 2 1 1 A 31 31 HIS CA C 31 59.106 59.659 -0.553 1
1 262 . 2 1 1 A 31 31 HIS HA H 31 4.197 4.158 0.039 1
1 263 . 2 1 1 A 31 31 HIS CB C 31 28.625 29.677 -1.052 1
1 269 . 2 1 1 A 31 31 HIS C C 31 176.294 176.850 -0.556 1
1 271 . 2 1 1 A 32 32 GLN N N 32 114.837 117.203 -2.366 1
1 272 . 2 1 1 A 32 32 GLN H H 32 8.512 8.587 -0.075 1
1 273 . 2 1 1 A 32 32 GLN CA C 32 59.527 59.210 0.317 1
1 274 . 2 1 1 A 32 32 GLN HA H 32 3.682 3.839 -0.157 1
1 275 . 2 1 1 A 32 32 GLN CB C 32 28.414 28.275 0.139 1
1 282 . 2 1 1 A 32 32 GLN C C 32 177.046 178.591 -1.545 1
1 285 . 2 1 1 A 33 33 ARG N N 33 117.734 119.849 -2.115 1
1 286 . 2 1 1 A 33 33 ARG H H 33 7.088 8.057 -0.969 1
1 287 . 2 1 1 A 33 33 ARG CA C 33 58.432 58.845 -0.413 1
1 288 . 2 1 1 A 33 33 ARG HA H 33 4.115 4.174 -0.059 1
1 289 . 2 1 1 A 33 33 ARG CB C 33 30.016 29.794 0.222 1
1 294 . 2 1 1 A 33 33 ARG C C 33 178.394 178.759 -0.365 1
1 298 . 2 1 1 A 34 34 ILE N N 34 115.478 117.453 -1.975 1
1 299 . 2 1 1 A 34 34 ILE H H 34 7.677 7.887 -0.210 1
1 300 . 2 1 1 A 34 34 ILE CA C 34 63.060 63.719 -0.659 1
1 301 . 2 1 1 A 34 34 ILE HA H 34 3.947 3.647 0.300 1
1 302 . 2 1 1 A 34 34 ILE CB C 34 37.660 37.030 0.630 1
1 314 . 2 1 1 A 34 34 ILE C C 34 177.059 176.540 0.519 1
1 316 . 2 1 1 A 35 35 HIS N N 35 117.439 119.057 -1.618 1
1 317 . 2 1 1 A 35 35 HIS H H 35 7.180 7.510 -0.330 1
1 318 . 2 1 1 A 35 35 HIS CA C 35 54.820 55.289 -0.469 1
1 319 . 2 1 1 A 35 35 HIS HA H 35 4.666 4.298 0.368 1
1 320 . 2 1 1 A 35 35 HIS CB C 35 28.012 28.939 -0.927 1
1 326 . 2 1 1 A 35 35 HIS C C 35 175.578 173.896 1.682 1
1 328 . 2 1 1 A 36 36 THR N N 36 111.209 109.797 1.412 1
1 329 . 2 1 1 A 36 36 THR H H 36 7.590 7.842 -0.252 1
1 330 . 2 1 1 A 36 36 THR CA C 36 62.494 60.210 2.284 1
1 331 . 2 1 1 A 36 36 THR HA H 36 4.246 4.789 -0.543 1
1 332 . 2 1 1 A 36 36 THR CB C 36 69.710 71.505 -1.795 1
1 338 . 2 1 1 A 36 36 THR C C 36 175.421 173.521 1.900 1
1 339 . 2 1 1 A 37 37 GLY N N 37 110.931 110.395 0.536 1
1 340 . 2 1 1 A 37 37 GLY H H 37 8.251 8.293 -0.042 1
1 341 . 2 1 1 A 37 37 GLY CA C 37 45.328 45.280 0.048 1
1 342 . 2 1 1 A 37 37 GLY HA3 H 37 4.007 4.005 0.002 1
1 343 . 2 1 1 A 37 37 GLY HA2 H 37 3.933 3.991 -0.058 1
1 344 . 2 1 1 A 38 38 GLU N N 38 120.496 125.518 -5.022 1
1 345 . 2 1 1 A 38 38 GLU H H 38 8.060 8.501 -0.441 1
1 346 . 2 1 1 A 38 38 GLU CA C 38 56.420 54.965 1.455 1
1 347 . 2 1 1 A 38 38 GLU HA H 38 4.251 4.944 -0.693 1
1 348 . 2 1 1 A 38 38 GLU CB C 38 30.580 32.718 -2.138 1
1 354 . 2 1 1 A 39 39 LYS N N 39 123.793 126.896 -3.103 1
1 355 . 2 1 1 A 39 39 LYS H H 39 8.427 8.525 -0.098 1
1 356 . 2 1 1 A 39 39 LYS CA C 39 54.155 53.580 0.575 1
1 357 . 2 1 1 A 39 39 LYS HA H 39 4.574 5.000 -0.426 1
1 358 . 2 1 1 A 39 39 LYS CB C 39 32.536 33.133 -0.597 1
1 370 . 2 1 1 A 40 40 PRO CA C 40 63.229 64.426 -1.197 1
1 371 . 2 1 1 A 40 40 PRO HA H 40 4.432 4.480 -0.048 1
1 372 . 2 1 1 A 40 40 PRO CB C 40 32.117 31.792 0.325 1
1 381 . 2 1 1 A 41 41 SER N N 41 116.420 114.043 2.377 1
1 382 . 2 1 1 A 41 41 SER H H 41 8.435 7.698 0.737 1
1 383 . 2 1 1 A 43 43 PRO CA C 43 63.289 65.095 -1.806 1
1 384 . 2 1 1 A 43 43 PRO HA H 43 4.477 4.341 0.136 1
1 385 . 2 1 1 A 43 43 PRO CB C 43 32.212 31.026 1.186 1
1 394 . 2 1 1 A 45 45 SER CA C 45 58.417 61.653 -3.236 1
1 395 . 2 1 1 A 45 45 SER HA H 45 4.517 4.313 0.204 1
1 396 . 2 1 1 A 45 45 SER CB C 45 63.947 62.638 1.309 1
1 397 . 2 1 1 A 45 45 SER C C 45 173.927 177.302 -3.375 1
1 1 . 3 1 1 A 9 9 GLY CA C 9 45.457 45.471 -0.014 1
1 2 . 3 1 1 A 9 9 GLY HA2 H 9 3.947 4.146 -0.199 1
1 3 . 3 1 1 A 10 10 GLU N N 10 120.021 120.460 -0.439 1
1 4 . 3 1 1 A 10 10 GLU H H 10 8.232 8.660 -0.428 1
1 5 . 3 1 1 A 10 10 GLU CA C 10 56.989 54.900 2.089 1
1 6 . 3 1 1 A 10 10 GLU HA H 10 4.186 4.916 -0.730 1
1 7 . 3 1 1 A 10 10 GLU CB C 10 30.382 32.929 -2.547 1
1 13 . 3 1 1 A 11 11 LYS N N 11 121.247 122.660 -1.413 1
1 14 . 3 1 1 A 11 11 LYS H H 11 8.262 8.637 -0.375 1
1 15 . 3 1 1 A 11 11 LYS CA C 11 53.662 53.813 -0.151 1
1 16 . 3 1 1 A 11 11 LYS HA H 11 4.556 4.613 -0.057 1
1 17 . 3 1 1 A 11 11 LYS CB C 11 33.383 32.206 1.177 1
1 29 . 3 1 1 A 12 12 PRO CA C 12 63.504 64.954 -1.450 1
1 30 . 3 1 1 A 12 12 PRO HA H 12 4.297 4.293 0.004 1
1 31 . 3 1 1 A 12 12 PRO CB C 12 32.319 31.730 0.589 1
1 37 . 3 1 1 A 12 12 PRO C C 12 176.573 175.846 0.727 1
1 41 . 3 1 1 A 13 13 TYR N N 13 119.490 117.686 1.804 1
1 42 . 3 1 1 A 13 13 TYR H H 13 7.903 7.422 0.481 1
1 43 . 3 1 1 A 13 13 TYR CA C 13 57.922 57.030 0.892 1
1 44 . 3 1 1 A 13 13 TYR HA H 13 4.582 4.812 -0.230 1
1 45 . 3 1 1 A 13 13 TYR CB C 13 37.887 38.017 -0.130 1
1 55 . 3 1 1 A 13 13 TYR C C 13 174.376 175.046 -0.670 1
1 57 . 3 1 1 A 14 14 VAL N N 14 125.513 124.372 1.141 1
1 58 . 3 1 1 A 14 14 VAL H H 14 8.446 9.027 -0.581 1
1 59 . 3 1 1 A 14 14 VAL CA C 14 61.477 61.226 0.251 1
1 60 . 3 1 1 A 14 14 VAL HA H 14 4.552 4.916 -0.364 1
1 61 . 3 1 1 A 14 14 VAL CB C 14 34.386 33.421 0.965 1
1 71 . 3 1 1 A 14 14 VAL C C 14 175.372 175.738 -0.366 1
1 72 . 3 1 1 A 15 15 CYS N N 15 129.259 127.387 1.872 1
1 73 . 3 1 1 A 15 15 CYS H H 15 9.292 8.853 0.439 1
1 74 . 3 1 1 A 15 15 CYS CA C 15 60.158 60.384 -0.226 1
1 75 . 3 1 1 A 15 15 CYS HA H 15 4.513 4.436 0.077 1
1 76 . 3 1 1 A 15 15 CYS CB C 15 29.975 28.704 1.271 1
1 78 . 3 1 1 A 15 15 CYS C C 15 176.962 175.789 1.173 1
1 80 . 3 1 1 A 16 16 ASP N N 16 115.898 128.575 -12.677 1
1 81 . 3 1 1 A 16 16 ASP H H 16 9.396 9.295 0.101 1
1 82 . 3 1 1 A 16 16 ASP CA C 16 56.513 53.631 2.882 1
1 83 . 3 1 1 A 16 16 ASP HA H 16 4.402 4.867 -0.465 1
1 84 . 3 1 1 A 16 16 ASP CB C 16 40.801 40.992 -0.191 1
1 86 . 3 1 1 A 16 16 ASP C C 16 176.136 176.986 -0.850 1
1 88 . 3 1 1 A 17 17 TYR N N 17 119.369 120.063 -0.694 1
1 89 . 3 1 1 A 17 17 TYR H H 17 8.841 8.291 0.550 1
1 90 . 3 1 1 A 17 17 TYR CA C 17 60.339 60.634 -0.295 1
1 91 . 3 1 1 A 17 17 TYR HA H 17 4.242 4.227 0.015 1
1 92 . 3 1 1 A 17 17 TYR CB C 17 37.705 39.349 -1.644 1
1 102 . 3 1 1 A 17 17 TYR C C 17 177.144 177.346 -0.202 1
1 104 . 3 1 1 A 18 18 CYS N N 18 114.506 115.882 -1.376 1
1 105 . 3 1 1 A 18 18 CYS H H 18 7.999 8.290 -0.291 1
1 106 . 3 1 1 A 18 18 CYS CA C 18 58.405 59.556 -1.151 1
1 107 . 3 1 1 A 18 18 CYS HA H 18 5.187 4.737 0.450 1
1 108 . 3 1 1 A 18 18 CYS CB C 18 32.949 30.078 2.871 1
1 110 . 3 1 1 A 18 18 CYS C C 18 176.258 175.566 0.692 1
1 112 . 3 1 1 A 19 19 GLY N N 19 113.706 110.232 3.474 1
1 113 . 3 1 1 A 19 19 GLY H H 19 8.288 8.180 0.108 1
1 114 . 3 1 1 A 19 19 GLY CA C 19 46.197 45.602 0.595 1
1 115 . 3 1 1 A 19 19 GLY HA3 H 19 4.220 4.091 0.129 1
1 116 . 3 1 1 A 19 19 GLY C C 19 173.563 174.082 -0.519 1
1 117 . 3 1 1 A 19 19 GLY HA2 H 19 3.750 4.076 -0.326 1
1 118 . 3 1 1 A 20 20 LYS N N 20 123.570 119.030 4.540 1
1 119 . 3 1 1 A 20 20 LYS H H 20 8.091 7.852 0.239 1
1 120 . 3 1 1 A 20 20 LYS CA C 20 58.371 54.848 3.523 1
1 121 . 3 1 1 A 20 20 LYS HA H 20 3.934 4.615 -0.681 1
1 122 . 3 1 1 A 20 20 LYS CB C 20 33.556 34.270 -0.714 1
1 130 . 3 1 1 A 20 20 LYS C C 20 173.490 175.112 -1.622 1
1 135 . 3 1 1 A 21 21 ALA N N 21 124.602 120.373 4.229 1
1 136 . 3 1 1 A 21 21 ALA H H 21 7.707 8.003 -0.296 1
1 137 . 3 1 1 A 21 21 ALA CA C 21 50.258 50.478 -0.220 1
1 138 . 3 1 1 A 21 21 ALA HA H 21 5.182 5.076 0.106 1
1 139 . 3 1 1 A 21 21 ALA CB C 21 22.647 22.632 0.015 1
1 143 . 3 1 1 A 21 21 ALA C C 21 176.452 174.981 1.471 1
1 144 . 3 1 1 A 22 22 PHE N N 22 117.531 116.944 0.587 1
1 145 . 3 1 1 A 22 22 PHE H H 22 8.993 8.694 0.299 1
1 146 . 3 1 1 A 22 22 PHE CA C 22 57.291 56.695 0.596 1
1 147 . 3 1 1 A 22 22 PHE HA H 22 4.681 4.928 -0.247 1
1 148 . 3 1 1 A 22 22 PHE CB C 22 43.492 42.902 0.590 1
1 160 . 3 1 1 A 22 22 PHE C C 22 175.518 176.326 -0.808 1
1 162 . 3 1 1 A 23 23 GLY N N 23 108.429 111.674 -3.245 1
1 163 . 3 1 1 A 23 23 GLY H H 23 9.218 8.885 0.333 1
1 164 . 3 1 1 A 23 23 GLY CA C 23 46.310 46.810 -0.500 1
1 165 . 3 1 1 A 23 23 GLY HA3 H 23 4.441 4.006 0.435 1
1 166 . 3 1 1 A 23 23 GLY C C 23 173.456 174.250 -0.794 1
1 167 . 3 1 1 A 23 23 GLY HA2 H 23 4.101 3.952 0.149 1
1 168 . 3 1 1 A 24 24 LEU N N 24 117.612 121.899 -4.287 1
1 169 . 3 1 1 A 24 24 LEU H H 24 7.590 7.907 -0.317 1
1 170 . 3 1 1 A 24 24 LEU CA C 24 53.046 53.090 -0.044 1
1 171 . 3 1 1 A 24 24 LEU HA H 24 4.876 4.753 0.123 1
1 172 . 3 1 1 A 24 24 LEU CB C 24 45.217 43.955 1.262 1
1 184 . 3 1 1 A 24 24 LEU C C 24 177.375 176.652 0.723 1
1 186 . 3 1 1 A 25 25 SER N N 25 121.264 118.465 2.799 1
1 187 . 3 1 1 A 25 25 SER H H 25 8.392 8.670 -0.278 1
1 188 . 3 1 1 A 25 25 SER CA C 25 61.134 61.039 0.095 1
1 189 . 3 1 1 A 25 25 SER HA H 25 3.053 3.118 -0.065 1
1 190 . 3 1 1 A 25 25 SER CB C 25 61.763 62.374 -0.611 1
1 193 . 3 1 1 A 26 26 ALA N N 26 120.264 122.118 -1.854 1
1 194 . 3 1 1 A 26 26 ALA H H 26 8.540 8.125 0.415 1
1 195 . 3 1 1 A 26 26 ALA CA C 26 54.998 55.163 -0.165 1
1 196 . 3 1 1 A 26 26 ALA HA H 26 3.941 3.904 0.037 1
1 197 . 3 1 1 A 26 26 ALA CB C 26 18.632 18.341 0.291 1
1 201 . 3 1 1 A 26 26 ALA C C 26 180.701 180.414 0.287 1
1 202 . 3 1 1 A 27 27 GLU N N 27 114.495 118.155 -3.660 1
1 203 . 3 1 1 A 27 27 GLU H H 27 6.760 7.981 -1.221 1
1 204 . 3 1 1 A 27 27 GLU CA C 27 58.170 59.255 -1.085 1
1 205 . 3 1 1 A 27 27 GLU HA H 27 3.847 3.879 -0.032 1
1 206 . 3 1 1 A 27 27 GLU CB C 27 30.158 29.211 0.947 1
1 210 . 3 1 1 A 27 27 GLU C C 27 178.856 178.447 0.409 1
1 213 . 3 1 1 A 28 28 LEU N N 28 121.928 121.239 0.689 1
1 214 . 3 1 1 A 28 28 LEU H H 28 6.961 7.500 -0.539 1
1 215 . 3 1 1 A 28 28 LEU CA C 28 57.950 57.427 0.523 1
1 216 . 3 1 1 A 28 28 LEU HA H 28 3.347 3.054 0.293 1
1 217 . 3 1 1 A 28 28 LEU CB C 28 40.130 41.561 -1.431 1
1 229 . 3 1 1 A 28 28 LEU C C 28 177.702 178.184 -0.482 1
1 231 . 3 1 1 A 29 29 VAL N N 29 119.082 119.268 -0.186 1
1 232 . 3 1 1 A 29 29 VAL H H 29 8.093 7.858 0.235 1
1 233 . 3 1 1 A 29 29 VAL CA C 29 66.576 66.818 -0.242 1
1 234 . 3 1 1 A 29 29 VAL HA H 29 3.614 3.427 0.187 1
1 235 . 3 1 1 A 29 29 VAL CB C 29 31.696 31.243 0.453 1
1 245 . 3 1 1 A 29 29 VAL C C 29 178.880 177.420 1.460 1
1 246 . 3 1 1 A 30 30 ARG N N 30 117.780 119.168 -1.388 1
1 247 . 3 1 1 A 30 30 ARG H H 30 7.334 8.398 -1.064 1
1 248 . 3 1 1 A 30 30 ARG CA C 30 59.465 59.622 -0.157 1
1 249 . 3 1 1 A 30 30 ARG HA H 30 3.919 3.893 0.026 1
1 250 . 3 1 1 A 30 30 ARG CB C 30 30.372 29.499 0.873 1
1 255 . 3 1 1 A 30 30 ARG C C 30 178.976 178.671 0.305 1
1 259 . 3 1 1 A 31 31 HIS N N 31 118.952 120.452 -1.500 1
1 260 . 3 1 1 A 31 31 HIS H H 31 7.707 7.629 0.078 1
1 261 . 3 1 1 A 31 31 HIS CA C 31 59.106 59.516 -0.410 1
1 262 . 3 1 1 A 31 31 HIS HA H 31 4.197 4.121 0.076 1
1 263 . 3 1 1 A 31 31 HIS CB C 31 28.625 29.249 -0.624 1
1 269 . 3 1 1 A 31 31 HIS C C 31 176.294 177.186 -0.892 1
1 271 . 3 1 1 A 32 32 GLN N N 32 114.837 117.835 -2.998 1
1 272 . 3 1 1 A 32 32 GLN H H 32 8.512 7.937 0.575 1
1 273 . 3 1 1 A 32 32 GLN CA C 32 59.527 58.047 1.480 1
1 274 . 3 1 1 A 32 32 GLN HA H 32 3.682 3.745 -0.063 1
1 275 . 3 1 1 A 32 32 GLN CB C 32 28.414 28.512 -0.098 1
1 282 . 3 1 1 A 32 32 GLN C C 32 177.046 177.923 -0.877 1
1 285 . 3 1 1 A 33 33 ARG N N 33 117.734 119.094 -1.360 1
1 286 . 3 1 1 A 33 33 ARG H H 33 7.088 7.662 -0.574 1
1 287 . 3 1 1 A 33 33 ARG CA C 33 58.432 58.617 -0.185 1
1 288 . 3 1 1 A 33 33 ARG HA H 33 4.115 3.983 0.132 1
1 289 . 3 1 1 A 33 33 ARG CB C 33 30.016 30.022 -0.006 1
1 294 . 3 1 1 A 33 33 ARG C C 33 178.394 178.656 -0.262 1
1 298 . 3 1 1 A 34 34 ILE N N 34 115.478 115.602 -0.124 1
1 299 . 3 1 1 A 34 34 ILE H H 34 7.677 7.161 0.516 1
1 300 . 3 1 1 A 34 34 ILE CA C 34 63.060 63.749 -0.689 1
1 301 . 3 1 1 A 34 34 ILE HA H 34 3.947 3.795 0.152 1
1 302 . 3 1 1 A 34 34 ILE CB C 34 37.660 37.017 0.643 1
1 314 . 3 1 1 A 34 34 ILE C C 34 177.059 177.360 -0.301 1
1 316 . 3 1 1 A 35 35 HIS N N 35 117.439 119.418 -1.979 1
1 317 . 3 1 1 A 35 35 HIS H H 35 7.180 7.416 -0.236 1
1 318 . 3 1 1 A 35 35 HIS CA C 35 54.820 58.650 -3.830 1
1 319 . 3 1 1 A 35 35 HIS HA H 35 4.666 4.233 0.433 1
1 320 . 3 1 1 A 35 35 HIS CB C 35 28.012 30.165 -2.153 1
1 326 . 3 1 1 A 35 35 HIS C C 35 175.578 176.145 -0.567 1
1 328 . 3 1 1 A 36 36 THR N N 36 111.209 105.292 5.917 1
1 329 . 3 1 1 A 36 36 THR H H 36 7.590 6.974 0.616 1
1 330 . 3 1 1 A 36 36 THR CA C 36 62.494 60.872 1.622 1
1 331 . 3 1 1 A 36 36 THR HA H 36 4.246 4.464 -0.218 1
1 332 . 3 1 1 A 36 36 THR CB C 36 69.710 68.797 0.913 1
1 338 . 3 1 1 A 36 36 THR C C 36 175.421 174.634 0.787 1
1 339 . 3 1 1 A 37 37 GLY N N 37 110.931 111.093 -0.162 1
1 340 . 3 1 1 A 37 37 GLY H H 37 8.251 8.002 0.249 1
1 341 . 3 1 1 A 37 37 GLY CA C 37 45.328 44.885 0.443 1
1 342 . 3 1 1 A 37 37 GLY HA3 H 37 4.007 3.985 0.022 1
1 343 . 3 1 1 A 37 37 GLY HA2 H 37 3.933 3.979 -0.046 1
1 344 . 3 1 1 A 38 38 GLU N N 38 120.496 120.323 0.173 1
1 345 . 3 1 1 A 38 38 GLU H H 38 8.060 8.552 -0.492 1
1 346 . 3 1 1 A 38 38 GLU CA C 38 56.420 55.135 1.285 1
1 347 . 3 1 1 A 38 38 GLU HA H 38 4.251 4.580 -0.329 1
1 348 . 3 1 1 A 38 38 GLU CB C 38 30.580 30.014 0.566 1
1 354 . 3 1 1 A 39 39 LYS N N 39 123.793 126.030 -2.237 1
1 355 . 3 1 1 A 39 39 LYS H H 39 8.427 8.290 0.137 1
1 356 . 3 1 1 A 39 39 LYS CA C 39 54.155 53.512 0.643 1
1 357 . 3 1 1 A 39 39 LYS HA H 39 4.574 4.946 -0.372 1
1 358 . 3 1 1 A 39 39 LYS CB C 39 32.536 32.927 -0.391 1
1 370 . 3 1 1 A 40 40 PRO CA C 40 63.229 64.213 -0.984 1
1 371 . 3 1 1 A 40 40 PRO HA H 40 4.432 4.520 -0.088 1
1 372 . 3 1 1 A 40 40 PRO CB C 40 32.117 32.004 0.113 1
1 381 . 3 1 1 A 41 41 SER N N 41 116.420 113.955 2.465 1
1 382 . 3 1 1 A 41 41 SER H H 41 8.435 7.672 0.763 1
1 383 . 3 1 1 A 43 43 PRO CA C 43 63.289 64.366 -1.077 1
1 384 . 3 1 1 A 43 43 PRO HA H 43 4.477 4.477 0.000 1
1 385 . 3 1 1 A 43 43 PRO CB C 43 32.212 31.936 0.276 1
1 394 . 3 1 1 A 45 45 SER CA C 45 58.417 61.570 -3.153 1
1 395 . 3 1 1 A 45 45 SER HA H 45 4.517 4.286 0.231 1
1 396 . 3 1 1 A 45 45 SER CB C 45 63.947 62.897 1.050 1
1 397 . 3 1 1 A 45 45 SER C C 45 173.927 175.701 -1.774 1
1 1 . 4 1 1 A 9 9 GLY CA C 9 45.457 44.494 0.963 1
1 2 . 4 1 1 A 9 9 GLY HA2 H 9 3.947 4.086 -0.139 1
1 3 . 4 1 1 A 10 10 GLU N N 10 120.021 120.086 -0.065 1
1 4 . 4 1 1 A 10 10 GLU H H 10 8.232 8.589 -0.357 1
1 5 . 4 1 1 A 10 10 GLU CA C 10 56.989 54.776 2.213 1
1 6 . 4 1 1 A 10 10 GLU HA H 10 4.186 5.049 -0.863 1
1 7 . 4 1 1 A 10 10 GLU CB C 10 30.382 33.495 -3.113 1
1 13 . 4 1 1 A 11 11 LYS N N 11 121.247 125.794 -4.547 1
1 14 . 4 1 1 A 11 11 LYS H H 11 8.262 8.566 -0.304 1
1 15 . 4 1 1 A 11 11 LYS CA C 11 53.662 52.767 0.895 1
1 16 . 4 1 1 A 11 11 LYS HA H 11 4.556 4.840 -0.284 1
1 17 . 4 1 1 A 11 11 LYS CB C 11 33.383 33.950 -0.567 1
1 29 . 4 1 1 A 12 12 PRO CA C 12 63.504 64.943 -1.439 1
1 30 . 4 1 1 A 12 12 PRO HA H 12 4.297 4.263 0.034 1
1 31 . 4 1 1 A 12 12 PRO CB C 12 32.319 31.737 0.582 1
1 37 . 4 1 1 A 12 12 PRO C C 12 176.573 175.989 0.584 1
1 41 . 4 1 1 A 13 13 TYR N N 13 119.490 117.655 1.835 1
1 42 . 4 1 1 A 13 13 TYR H H 13 7.903 7.521 0.382 1
1 43 . 4 1 1 A 13 13 TYR CA C 13 57.922 57.146 0.776 1
1 44 . 4 1 1 A 13 13 TYR HA H 13 4.582 4.811 -0.229 1
1 45 . 4 1 1 A 13 13 TYR CB C 13 37.887 37.829 0.058 1
1 55 . 4 1 1 A 13 13 TYR C C 13 174.376 174.826 -0.450 1
1 57 . 4 1 1 A 14 14 VAL N N 14 125.513 123.537 1.976 1
1 58 . 4 1 1 A 14 14 VAL H H 14 8.446 8.970 -0.524 1
1 59 . 4 1 1 A 14 14 VAL CA C 14 61.477 59.918 1.559 1
1 60 . 4 1 1 A 14 14 VAL HA H 14 4.552 5.240 -0.688 1
1 61 . 4 1 1 A 14 14 VAL CB C 14 34.386 34.566 -0.180 1
1 71 . 4 1 1 A 14 14 VAL C C 14 175.372 174.170 1.202 1
1 72 . 4 1 1 A 15 15 CYS N N 15 129.259 127.183 2.076 1
1 73 . 4 1 1 A 15 15 CYS H H 15 9.292 9.209 0.083 1
1 74 . 4 1 1 A 15 15 CYS CA C 15 60.158 60.371 -0.213 1
1 75 . 4 1 1 A 15 15 CYS HA H 15 4.513 4.528 -0.015 1
1 76 . 4 1 1 A 15 15 CYS CB C 15 29.975 28.827 1.148 1
1 78 . 4 1 1 A 15 15 CYS C C 15 176.962 176.413 0.549 1
1 80 . 4 1 1 A 16 16 ASP N N 16 115.898 126.988 -11.090 1
1 81 . 4 1 1 A 16 16 ASP H H 16 9.396 9.073 0.323 1
1 82 . 4 1 1 A 16 16 ASP CA C 16 56.513 55.347 1.166 1
1 83 . 4 1 1 A 16 16 ASP HA H 16 4.402 4.546 -0.144 1
1 84 . 4 1 1 A 16 16 ASP CB C 16 40.801 41.040 -0.239 1
1 86 . 4 1 1 A 16 16 ASP C C 16 176.136 177.917 -1.781 1
1 88 . 4 1 1 A 17 17 TYR N N 17 119.369 121.550 -2.181 1
1 89 . 4 1 1 A 17 17 TYR H H 17 8.841 7.536 1.305 1
1 90 . 4 1 1 A 17 17 TYR CA C 17 60.339 61.362 -1.023 1
1 91 . 4 1 1 A 17 17 TYR HA H 17 4.242 4.054 0.188 1
1 92 . 4 1 1 A 17 17 TYR CB C 17 37.705 38.724 -1.019 1
1 102 . 4 1 1 A 17 17 TYR C C 17 177.144 177.860 -0.716 1
1 104 . 4 1 1 A 18 18 CYS N N 18 114.506 115.498 -0.992 1
1 105 . 4 1 1 A 18 18 CYS H H 18 7.999 7.554 0.445 1
1 106 . 4 1 1 A 18 18 CYS CA C 18 58.405 59.660 -1.255 1
1 107 . 4 1 1 A 18 18 CYS HA H 18 5.187 4.688 0.499 1
1 108 . 4 1 1 A 18 18 CYS CB C 18 32.949 29.782 3.167 1
1 110 . 4 1 1 A 18 18 CYS C C 18 176.258 175.370 0.888 1
1 112 . 4 1 1 A 19 19 GLY N N 19 113.706 110.298 3.408 1
1 113 . 4 1 1 A 19 19 GLY H H 19 8.288 8.197 0.091 1
1 114 . 4 1 1 A 19 19 GLY CA C 19 46.197 45.228 0.969 1
1 115 . 4 1 1 A 19 19 GLY HA3 H 19 4.220 4.107 0.113 1
1 116 . 4 1 1 A 19 19 GLY C C 19 173.563 174.090 -0.527 1
1 117 . 4 1 1 A 19 19 GLY HA2 H 19 3.750 4.089 -0.339 1
1 118 . 4 1 1 A 20 20 LYS N N 20 123.570 119.124 4.446 1
1 119 . 4 1 1 A 20 20 LYS H H 20 8.091 7.917 0.174 1
1 120 . 4 1 1 A 20 20 LYS CA C 20 58.371 54.403 3.968 1
1 121 . 4 1 1 A 20 20 LYS HA H 20 3.934 4.421 -0.487 1
1 122 . 4 1 1 A 20 20 LYS CB C 20 33.556 33.449 0.107 1
1 130 . 4 1 1 A 20 20 LYS C C 20 173.490 175.385 -1.895 1
1 135 . 4 1 1 A 21 21 ALA N N 21 124.602 124.128 0.474 1
1 136 . 4 1 1 A 21 21 ALA H H 21 7.707 8.503 -0.796 1
1 137 . 4 1 1 A 21 21 ALA CA C 21 50.258 50.002 0.256 1
1 138 . 4 1 1 A 21 21 ALA HA H 21 5.182 5.329 -0.147 1
1 139 . 4 1 1 A 21 21 ALA CB C 21 22.647 22.045 0.602 1
1 143 . 4 1 1 A 21 21 ALA C C 21 176.452 175.916 0.536 1
1 144 . 4 1 1 A 22 22 PHE N N 22 117.531 117.108 0.423 1
1 145 . 4 1 1 A 22 22 PHE H H 22 8.993 9.128 -0.135 1
1 146 . 4 1 1 A 22 22 PHE CA C 22 57.291 56.518 0.773 1
1 147 . 4 1 1 A 22 22 PHE HA H 22 4.681 4.893 -0.212 1
1 148 . 4 1 1 A 22 22 PHE CB C 22 43.492 42.977 0.515 1
1 160 . 4 1 1 A 22 22 PHE C C 22 175.518 176.163 -0.645 1
1 162 . 4 1 1 A 23 23 GLY N N 23 108.429 111.042 -2.613 1
1 163 . 4 1 1 A 23 23 GLY H H 23 9.218 8.934 0.284 1
1 164 . 4 1 1 A 23 23 GLY CA C 23 46.310 46.911 -0.601 1
1 165 . 4 1 1 A 23 23 GLY HA3 H 23 4.441 3.990 0.451 1
1 166 . 4 1 1 A 23 23 GLY C C 23 173.456 174.160 -0.704 1
1 167 . 4 1 1 A 23 23 GLY HA2 H 23 4.101 3.925 0.176 1
1 168 . 4 1 1 A 24 24 LEU N N 24 117.612 121.794 -4.182 1
1 169 . 4 1 1 A 24 24 LEU H H 24 7.590 7.733 -0.143 1
1 170 . 4 1 1 A 24 24 LEU CA C 24 53.046 53.336 -0.290 1
1 171 . 4 1 1 A 24 24 LEU HA H 24 4.876 4.538 0.338 1
1 172 . 4 1 1 A 24 24 LEU CB C 24 45.217 44.296 0.921 1
1 184 . 4 1 1 A 24 24 LEU C C 24 177.375 176.174 1.201 1
1 186 . 4 1 1 A 25 25 SER N N 25 121.264 120.235 1.029 1
1 187 . 4 1 1 A 25 25 SER H H 25 8.392 8.588 -0.196 1
1 188 . 4 1 1 A 25 25 SER CA C 25 61.134 61.058 0.076 1
1 189 . 4 1 1 A 25 25 SER HA H 25 3.053 3.212 -0.159 1
1 190 . 4 1 1 A 25 25 SER CB C 25 61.763 62.496 -0.733 1
1 193 . 4 1 1 A 26 26 ALA N N 26 120.264 122.283 -2.019 1
1 194 . 4 1 1 A 26 26 ALA H H 26 8.540 8.132 0.408 1
1 195 . 4 1 1 A 26 26 ALA CA C 26 54.998 55.403 -0.405 1
1 196 . 4 1 1 A 26 26 ALA HA H 26 3.941 3.989 -0.048 1
1 197 . 4 1 1 A 26 26 ALA CB C 26 18.632 18.521 0.111 1
1 201 . 4 1 1 A 26 26 ALA C C 26 180.701 179.782 0.919 1
1 202 . 4 1 1 A 27 27 GLU N N 27 114.495 117.571 -3.076 1
1 203 . 4 1 1 A 27 27 GLU H H 27 6.760 8.007 -1.247 1
1 204 . 4 1 1 A 27 27 GLU CA C 27 58.170 59.378 -1.208 1
1 205 . 4 1 1 A 27 27 GLU HA H 27 3.847 3.892 -0.045 1
1 206 . 4 1 1 A 27 27 GLU CB C 27 30.158 29.290 0.868 1
1 210 . 4 1 1 A 27 27 GLU C C 27 178.856 178.779 0.077 1
1 213 . 4 1 1 A 28 28 LEU N N 28 121.928 121.726 0.202 1
1 214 . 4 1 1 A 28 28 LEU H H 28 6.961 7.677 -0.716 1
1 215 . 4 1 1 A 28 28 LEU CA C 28 57.950 57.872 0.078 1
1 216 . 4 1 1 A 28 28 LEU HA H 28 3.347 3.173 0.174 1
1 217 . 4 1 1 A 28 28 LEU CB C 28 40.130 41.722 -1.592 1
1 229 . 4 1 1 A 28 28 LEU C C 28 177.702 178.523 -0.821 1
1 231 . 4 1 1 A 29 29 VAL N N 29 119.082 119.285 -0.203 1
1 232 . 4 1 1 A 29 29 VAL H H 29 8.093 7.762 0.331 1
1 233 . 4 1 1 A 29 29 VAL CA C 29 66.576 67.126 -0.550 1
1 234 . 4 1 1 A 29 29 VAL HA H 29 3.614 3.438 0.176 1
1 235 . 4 1 1 A 29 29 VAL CB C 29 31.696 31.329 0.367 1
1 245 . 4 1 1 A 29 29 VAL C C 29 178.880 177.603 1.277 1
1 246 . 4 1 1 A 30 30 ARG N N 30 117.780 119.042 -1.262 1
1 247 . 4 1 1 A 30 30 ARG H H 30 7.334 7.988 -0.654 1
1 248 . 4 1 1 A 30 30 ARG CA C 30 59.465 59.038 0.427 1
1 249 . 4 1 1 A 30 30 ARG HA H 30 3.919 4.049 -0.130 1
1 250 . 4 1 1 A 30 30 ARG CB C 30 30.372 29.732 0.640 1
1 255 . 4 1 1 A 30 30 ARG C C 30 178.976 178.439 0.537 1
1 259 . 4 1 1 A 31 31 HIS N N 31 118.952 121.280 -2.328 1
1 260 . 4 1 1 A 31 31 HIS H H 31 7.707 7.938 -0.231 1
1 261 . 4 1 1 A 31 31 HIS CA C 31 59.106 59.385 -0.279 1
1 262 . 4 1 1 A 31 31 HIS HA H 31 4.197 4.092 0.105 1
1 263 . 4 1 1 A 31 31 HIS CB C 31 28.625 29.353 -0.728 1
1 269 . 4 1 1 A 31 31 HIS C C 31 176.294 177.215 -0.921 1
1 271 . 4 1 1 A 32 32 GLN N N 32 114.837 117.593 -2.756 1
1 272 . 4 1 1 A 32 32 GLN H H 32 8.512 8.461 0.051 1
1 273 . 4 1 1 A 32 32 GLN CA C 32 59.527 58.950 0.577 1
1 274 . 4 1 1 A 32 32 GLN HA H 32 3.682 3.642 0.040 1
1 275 . 4 1 1 A 32 32 GLN CB C 32 28.414 28.210 0.204 1
1 282 . 4 1 1 A 32 32 GLN C C 32 177.046 178.494 -1.448 1
1 285 . 4 1 1 A 33 33 ARG N N 33 117.734 119.162 -1.428 1
1 286 . 4 1 1 A 33 33 ARG H H 33 7.088 7.831 -0.743 1
1 287 . 4 1 1 A 33 33 ARG CA C 33 58.432 58.858 -0.426 1
1 288 . 4 1 1 A 33 33 ARG HA H 33 4.115 3.960 0.155 1
1 289 . 4 1 1 A 33 33 ARG CB C 33 30.016 29.833 0.183 1
1 294 . 4 1 1 A 33 33 ARG C C 33 178.394 178.947 -0.553 1
1 298 . 4 1 1 A 34 34 ILE N N 34 115.478 115.980 -0.502 1
1 299 . 4 1 1 A 34 34 ILE H H 34 7.677 7.616 0.061 1
1 300 . 4 1 1 A 34 34 ILE CA C 34 63.060 63.232 -0.172 1
1 301 . 4 1 1 A 34 34 ILE HA H 34 3.947 3.722 0.225 1
1 302 . 4 1 1 A 34 34 ILE CB C 34 37.660 37.072 0.588 1
1 314 . 4 1 1 A 34 34 ILE C C 34 177.059 176.676 0.383 1
1 316 . 4 1 1 A 35 35 HIS N N 35 117.439 119.098 -1.659 1
1 317 . 4 1 1 A 35 35 HIS H H 35 7.180 7.628 -0.448 1
1 318 . 4 1 1 A 35 35 HIS CA C 35 54.820 57.915 -3.095 1
1 319 . 4 1 1 A 35 35 HIS HA H 35 4.666 4.227 0.439 1
1 320 . 4 1 1 A 35 35 HIS CB C 35 28.012 30.558 -2.546 1
1 326 . 4 1 1 A 35 35 HIS C C 35 175.578 175.927 -0.349 1
1 328 . 4 1 1 A 36 36 THR N N 36 111.209 105.419 5.790 1
1 329 . 4 1 1 A 36 36 THR H H 36 7.590 7.061 0.529 1
1 330 . 4 1 1 A 36 36 THR CA C 36 62.494 60.942 1.552 1
1 331 . 4 1 1 A 36 36 THR HA H 36 4.246 4.526 -0.280 1
1 332 . 4 1 1 A 36 36 THR CB C 36 69.710 68.909 0.801 1
1 338 . 4 1 1 A 36 36 THR C C 36 175.421 174.147 1.274 1
1 339 . 4 1 1 A 37 37 GLY N N 37 110.931 110.823 0.108 1
1 340 . 4 1 1 A 37 37 GLY H H 37 8.251 8.152 0.099 1
1 341 . 4 1 1 A 37 37 GLY CA C 37 45.328 44.026 1.302 1
1 342 . 4 1 1 A 37 37 GLY HA3 H 37 4.007 4.126 -0.119 1
1 343 . 4 1 1 A 37 37 GLY HA2 H 37 3.933 4.111 -0.178 1
1 344 . 4 1 1 A 38 38 GLU N N 38 120.496 119.394 1.102 1
1 345 . 4 1 1 A 38 38 GLU H H 38 8.060 8.388 -0.328 1
1 346 . 4 1 1 A 38 38 GLU CA C 38 56.420 55.564 0.856 1
1 347 . 4 1 1 A 38 38 GLU HA H 38 4.251 4.580 -0.329 1
1 348 . 4 1 1 A 38 38 GLU CB C 38 30.580 30.015 0.565 1
1 354 . 4 1 1 A 39 39 LYS N N 39 123.793 119.848 3.945 1
1 355 . 4 1 1 A 39 39 LYS H H 39 8.427 7.301 1.126 1
1 356 . 4 1 1 A 39 39 LYS CA C 39 54.155 52.812 1.343 1
1 357 . 4 1 1 A 39 39 LYS HA H 39 4.574 4.666 -0.092 1
1 358 . 4 1 1 A 39 39 LYS CB C 39 32.536 33.980 -1.444 1
1 370 . 4 1 1 A 40 40 PRO CA C 40 63.229 64.640 -1.411 1
1 371 . 4 1 1 A 40 40 PRO HA H 40 4.432 4.401 0.031 1
1 372 . 4 1 1 A 40 40 PRO CB C 40 32.117 31.974 0.143 1
1 381 . 4 1 1 A 41 41 SER N N 41 116.420 115.369 1.051 1
1 382 . 4 1 1 A 41 41 SER H H 41 8.435 7.760 0.675 1
1 383 . 4 1 1 A 43 43 PRO CA C 43 63.289 62.761 0.528 1
1 384 . 4 1 1 A 43 43 PRO HA H 43 4.477 4.723 -0.246 1
1 385 . 4 1 1 A 43 43 PRO CB C 43 32.212 33.746 -1.534 1
1 394 . 4 1 1 A 45 45 SER CA C 45 58.417 58.688 -0.271 1
1 395 . 4 1 1 A 45 45 SER HA H 45 4.517 4.715 -0.198 1
1 396 . 4 1 1 A 45 45 SER CB C 45 63.947 64.504 -0.557 1
1 397 . 4 1 1 A 45 45 SER C C 45 173.927 174.538 -0.611 1
1 1 . 5 1 1 A 9 9 GLY CA C 9 45.457 45.933 -0.476 1
1 2 . 5 1 1 A 9 9 GLY HA2 H 9 3.947 4.185 -0.238 1
1 3 . 5 1 1 A 10 10 GLU N N 10 120.021 120.589 -0.568 1
1 4 . 5 1 1 A 10 10 GLU H H 10 8.232 8.678 -0.446 1
1 5 . 5 1 1 A 10 10 GLU CA C 10 56.989 55.893 1.096 1
1 6 . 5 1 1 A 10 10 GLU HA H 10 4.186 4.631 -0.445 1
1 7 . 5 1 1 A 10 10 GLU CB C 10 30.382 28.445 1.937 1
1 13 . 5 1 1 A 11 11 LYS N N 11 121.247 124.990 -3.743 1
1 14 . 5 1 1 A 11 11 LYS H H 11 8.262 7.573 0.689 1
1 15 . 5 1 1 A 11 11 LYS CA C 11 53.662 55.049 -1.387 1
1 16 . 5 1 1 A 11 11 LYS HA H 11 4.556 4.303 0.253 1
1 17 . 5 1 1 A 11 11 LYS CB C 11 33.383 31.982 1.401 1
1 29 . 5 1 1 A 12 12 PRO CA C 12 63.504 64.997 -1.493 1
1 30 . 5 1 1 A 12 12 PRO HA H 12 4.297 4.255 0.042 1
1 31 . 5 1 1 A 12 12 PRO CB C 12 32.319 31.707 0.612 1
1 37 . 5 1 1 A 12 12 PRO C C 12 176.573 175.757 0.816 1
1 41 . 5 1 1 A 13 13 TYR N N 13 119.490 117.543 1.947 1
1 42 . 5 1 1 A 13 13 TYR H H 13 7.903 7.367 0.536 1
1 43 . 5 1 1 A 13 13 TYR CA C 13 57.922 56.913 1.009 1
1 44 . 5 1 1 A 13 13 TYR HA H 13 4.582 4.827 -0.245 1
1 45 . 5 1 1 A 13 13 TYR CB C 13 37.887 38.053 -0.166 1
1 55 . 5 1 1 A 13 13 TYR C C 13 174.376 174.661 -0.285 1
1 57 . 5 1 1 A 14 14 VAL N N 14 125.513 123.533 1.980 1
1 58 . 5 1 1 A 14 14 VAL H H 14 8.446 8.947 -0.501 1
1 59 . 5 1 1 A 14 14 VAL CA C 14 61.477 59.794 1.683 1
1 60 . 5 1 1 A 14 14 VAL HA H 14 4.552 5.237 -0.685 1
1 61 . 5 1 1 A 14 14 VAL CB C 14 34.386 34.588 -0.202 1
1 71 . 5 1 1 A 14 14 VAL C C 14 175.372 173.769 1.603 1
1 72 . 5 1 1 A 15 15 CYS N N 15 129.259 126.605 2.654 1
1 73 . 5 1 1 A 15 15 CYS H H 15 9.292 9.414 -0.122 1
1 74 . 5 1 1 A 15 15 CYS CA C 15 60.158 60.115 0.043 1
1 75 . 5 1 1 A 15 15 CYS HA H 15 4.513 4.620 -0.107 1
1 76 . 5 1 1 A 15 15 CYS CB C 15 29.975 28.425 1.550 1
1 78 . 5 1 1 A 15 15 CYS C C 15 176.962 176.438 0.524 1
1 80 . 5 1 1 A 16 16 ASP N N 16 115.898 126.549 -10.651 1
1 81 . 5 1 1 A 16 16 ASP H H 16 9.396 8.873 0.523 1
1 82 . 5 1 1 A 16 16 ASP CA C 16 56.513 55.114 1.399 1
1 83 . 5 1 1 A 16 16 ASP HA H 16 4.402 4.568 -0.166 1
1 84 . 5 1 1 A 16 16 ASP CB C 16 40.801 41.310 -0.509 1
1 86 . 5 1 1 A 16 16 ASP C C 16 176.136 177.949 -1.813 1
1 88 . 5 1 1 A 17 17 TYR N N 17 119.369 121.286 -1.917 1
1 89 . 5 1 1 A 17 17 TYR H H 17 8.841 7.582 1.259 1
1 90 . 5 1 1 A 17 17 TYR CA C 17 60.339 61.757 -1.418 1
1 91 . 5 1 1 A 17 17 TYR HA H 17 4.242 4.013 0.229 1
1 92 . 5 1 1 A 17 17 TYR CB C 17 37.705 38.660 -0.955 1
1 102 . 5 1 1 A 17 17 TYR C C 17 177.144 177.945 -0.801 1
1 104 . 5 1 1 A 18 18 CYS N N 18 114.506 115.500 -0.994 1
1 105 . 5 1 1 A 18 18 CYS H H 18 7.999 7.626 0.373 1
1 106 . 5 1 1 A 18 18 CYS CA C 18 58.405 59.700 -1.295 1
1 107 . 5 1 1 A 18 18 CYS HA H 18 5.187 4.738 0.449 1
1 108 . 5 1 1 A 18 18 CYS CB C 18 32.949 29.894 3.055 1
1 110 . 5 1 1 A 18 18 CYS C C 18 176.258 175.375 0.883 1
1 112 . 5 1 1 A 19 19 GLY N N 19 113.706 110.208 3.498 1
1 113 . 5 1 1 A 19 19 GLY H H 19 8.288 8.222 0.066 1
1 114 . 5 1 1 A 19 19 GLY CA C 19 46.197 45.263 0.934 1
1 115 . 5 1 1 A 19 19 GLY HA3 H 19 4.220 4.095 0.125 1
1 116 . 5 1 1 A 19 19 GLY C C 19 173.563 174.355 -0.792 1
1 117 . 5 1 1 A 19 19 GLY HA2 H 19 3.750 4.081 -0.331 1
1 118 . 5 1 1 A 20 20 LYS N N 20 123.570 121.488 2.082 1
1 119 . 5 1 1 A 20 20 LYS H H 20 8.091 7.915 0.176 1
1 120 . 5 1 1 A 20 20 LYS CA C 20 58.371 54.827 3.544 1
1 121 . 5 1 1 A 20 20 LYS HA H 20 3.934 4.460 -0.526 1
1 122 . 5 1 1 A 20 20 LYS CB C 20 33.556 33.593 -0.037 1
1 130 . 5 1 1 A 20 20 LYS C C 20 173.490 175.489 -1.999 1
1 135 . 5 1 1 A 21 21 ALA N N 21 124.602 128.353 -3.751 1
1 136 . 5 1 1 A 21 21 ALA H H 21 7.707 8.445 -0.738 1
1 137 . 5 1 1 A 21 21 ALA CA C 21 50.258 50.977 -0.719 1
1 138 . 5 1 1 A 21 21 ALA HA H 21 5.182 4.961 0.221 1
1 139 . 5 1 1 A 21 21 ALA CB C 21 22.647 20.647 2.000 1
1 143 . 5 1 1 A 21 21 ALA C C 21 176.452 176.377 0.075 1
1 144 . 5 1 1 A 22 22 PHE N N 22 117.531 117.466 0.065 1
1 145 . 5 1 1 A 22 22 PHE H H 22 8.993 9.096 -0.103 1
1 146 . 5 1 1 A 22 22 PHE CA C 22 57.291 56.263 1.028 1
1 147 . 5 1 1 A 22 22 PHE HA H 22 4.681 4.903 -0.222 1
1 148 . 5 1 1 A 22 22 PHE CB C 22 43.492 42.867 0.625 1
1 160 . 5 1 1 A 22 22 PHE C C 22 175.518 176.392 -0.874 1
1 162 . 5 1 1 A 23 23 GLY N N 23 108.429 111.641 -3.212 1
1 163 . 5 1 1 A 23 23 GLY H H 23 9.218 8.891 0.327 1
1 164 . 5 1 1 A 23 23 GLY CA C 23 46.310 46.734 -0.424 1
1 165 . 5 1 1 A 23 23 GLY HA3 H 23 4.441 4.007 0.434 1
1 166 . 5 1 1 A 23 23 GLY C C 23 173.456 174.195 -0.739 1
1 167 . 5 1 1 A 23 23 GLY HA2 H 23 4.101 3.954 0.147 1
1 168 . 5 1 1 A 24 24 LEU N N 24 117.612 122.174 -4.562 1
1 169 . 5 1 1 A 24 24 LEU H H 24 7.590 7.772 -0.182 1
1 170 . 5 1 1 A 24 24 LEU CA C 24 53.046 53.380 -0.334 1
1 171 . 5 1 1 A 24 24 LEU HA H 24 4.876 4.613 0.263 1
1 172 . 5 1 1 A 24 24 LEU CB C 24 45.217 44.927 0.290 1
1 184 . 5 1 1 A 24 24 LEU C C 24 177.375 176.496 0.879 1
1 186 . 5 1 1 A 25 25 SER N N 25 121.264 120.366 0.898 1
1 187 . 5 1 1 A 25 25 SER H H 25 8.392 8.414 -0.022 1
1 188 . 5 1 1 A 25 25 SER CA C 25 61.134 60.983 0.151 1
1 189 . 5 1 1 A 25 25 SER HA H 25 3.053 3.344 -0.291 1
1 190 . 5 1 1 A 25 25 SER CB C 25 61.763 62.343 -0.580 1
1 193 . 5 1 1 A 26 26 ALA N N 26 120.264 122.159 -1.895 1
1 194 . 5 1 1 A 26 26 ALA H H 26 8.540 8.151 0.389 1
1 195 . 5 1 1 A 26 26 ALA CA C 26 54.998 55.177 -0.179 1
1 196 . 5 1 1 A 26 26 ALA HA H 26 3.941 3.920 0.021 1
1 197 . 5 1 1 A 26 26 ALA CB C 26 18.632 18.510 0.122 1
1 201 . 5 1 1 A 26 26 ALA C C 26 180.701 179.922 0.779 1
1 202 . 5 1 1 A 27 27 GLU N N 27 114.495 117.843 -3.348 1
1 203 . 5 1 1 A 27 27 GLU H H 27 6.760 7.921 -1.161 1
1 204 . 5 1 1 A 27 27 GLU CA C 27 58.170 59.032 -0.862 1
1 205 . 5 1 1 A 27 27 GLU HA H 27 3.847 3.883 -0.036 1
1 206 . 5 1 1 A 27 27 GLU CB C 27 30.158 29.525 0.633 1
1 210 . 5 1 1 A 27 27 GLU C C 27 178.856 179.012 -0.156 1
1 213 . 5 1 1 A 28 28 LEU N N 28 121.928 121.404 0.524 1
1 214 . 5 1 1 A 28 28 LEU H H 28 6.961 7.506 -0.545 1
1 215 . 5 1 1 A 28 28 LEU CA C 28 57.950 57.544 0.406 1
1 216 . 5 1 1 A 28 28 LEU HA H 28 3.347 3.228 0.119 1
1 217 . 5 1 1 A 28 28 LEU CB C 28 40.130 41.565 -1.435 1
1 229 . 5 1 1 A 28 28 LEU C C 28 177.702 178.202 -0.500 1
1 231 . 5 1 1 A 29 29 VAL N N 29 119.082 119.243 -0.161 1
1 232 . 5 1 1 A 29 29 VAL H H 29 8.093 8.189 -0.096 1
1 233 . 5 1 1 A 29 29 VAL CA C 29 66.576 66.569 0.007 1
1 234 . 5 1 1 A 29 29 VAL HA H 29 3.614 3.521 0.093 1
1 235 . 5 1 1 A 29 29 VAL CB C 29 31.696 31.283 0.413 1
1 245 . 5 1 1 A 29 29 VAL C C 29 178.880 177.819 1.061 1
1 246 . 5 1 1 A 30 30 ARG N N 30 117.780 119.910 -2.130 1
1 247 . 5 1 1 A 30 30 ARG H H 30 7.334 8.251 -0.917 1
1 248 . 5 1 1 A 30 30 ARG CA C 30 59.465 58.829 0.636 1
1 249 . 5 1 1 A 30 30 ARG HA H 30 3.919 4.032 -0.113 1
1 250 . 5 1 1 A 30 30 ARG CB C 30 30.372 29.739 0.633 1
1 255 . 5 1 1 A 30 30 ARG C C 30 178.976 178.392 0.584 1
1 259 . 5 1 1 A 31 31 HIS N N 31 118.952 120.056 -1.104 1
1 260 . 5 1 1 A 31 31 HIS H H 31 7.707 7.998 -0.291 1
1 261 . 5 1 1 A 31 31 HIS CA C 31 59.106 59.428 -0.322 1
1 262 . 5 1 1 A 31 31 HIS HA H 31 4.197 4.142 0.055 1
1 263 . 5 1 1 A 31 31 HIS CB C 31 28.625 29.570 -0.945 1
1 269 . 5 1 1 A 31 31 HIS C C 31 176.294 176.843 -0.549 1
1 271 . 5 1 1 A 32 32 GLN N N 32 114.837 117.189 -2.352 1
1 272 . 5 1 1 A 32 32 GLN H H 32 8.512 8.169 0.343 1
1 273 . 5 1 1 A 32 32 GLN CA C 32 59.527 59.200 0.327 1
1 274 . 5 1 1 A 32 32 GLN HA H 32 3.682 3.814 -0.132 1
1 275 . 5 1 1 A 32 32 GLN CB C 32 28.414 28.294 0.120 1
1 282 . 5 1 1 A 32 32 GLN C C 32 177.046 178.376 -1.330 1
1 285 . 5 1 1 A 33 33 ARG N N 33 117.734 119.859 -2.125 1
1 286 . 5 1 1 A 33 33 ARG H H 33 7.088 7.746 -0.658 1
1 287 . 5 1 1 A 33 33 ARG CA C 33 58.432 58.940 -0.508 1
1 288 . 5 1 1 A 33 33 ARG HA H 33 4.115 4.122 -0.007 1
1 289 . 5 1 1 A 33 33 ARG CB C 33 30.016 29.817 0.199 1
1 294 . 5 1 1 A 33 33 ARG C C 33 178.394 178.710 -0.316 1
1 298 . 5 1 1 A 34 34 ILE N N 34 115.478 117.352 -1.874 1
1 299 . 5 1 1 A 34 34 ILE H H 34 7.677 7.731 -0.054 1
1 300 . 5 1 1 A 34 34 ILE CA C 34 63.060 63.578 -0.518 1
1 301 . 5 1 1 A 34 34 ILE HA H 34 3.947 3.687 0.260 1
1 302 . 5 1 1 A 34 34 ILE CB C 34 37.660 37.141 0.519 1
1 314 . 5 1 1 A 34 34 ILE C C 34 177.059 176.648 0.411 1
1 316 . 5 1 1 A 35 35 HIS N N 35 117.439 119.067 -1.628 1
1 317 . 5 1 1 A 35 35 HIS H H 35 7.180 7.584 -0.404 1
1 318 . 5 1 1 A 35 35 HIS CA C 35 54.820 57.634 -2.814 1
1 319 . 5 1 1 A 35 35 HIS HA H 35 4.666 4.169 0.497 1
1 320 . 5 1 1 A 35 35 HIS CB C 35 28.012 30.957 -2.945 1
1 326 . 5 1 1 A 35 35 HIS C C 35 175.578 175.630 -0.052 1
1 328 . 5 1 1 A 36 36 THR N N 36 111.209 106.917 4.292 1
1 329 . 5 1 1 A 36 36 THR H H 36 7.590 8.043 -0.453 1
1 330 . 5 1 1 A 36 36 THR CA C 36 62.494 60.496 1.998 1
1 331 . 5 1 1 A 36 36 THR HA H 36 4.246 4.459 -0.213 1
1 332 . 5 1 1 A 36 36 THR CB C 36 69.710 68.592 1.118 1
1 338 . 5 1 1 A 36 36 THR C C 36 175.421 173.739 1.682 1
1 339 . 5 1 1 A 37 37 GLY N N 37 110.931 111.937 -1.006 1
1 340 . 5 1 1 A 37 37 GLY H H 37 8.251 8.069 0.182 1
1 341 . 5 1 1 A 37 37 GLY CA C 37 45.328 45.369 -0.041 1
1 342 . 5 1 1 A 37 37 GLY HA3 H 37 4.007 4.029 -0.022 1
1 343 . 5 1 1 A 37 37 GLY HA2 H 37 3.933 4.012 -0.079 1
1 344 . 5 1 1 A 38 38 GLU N N 38 120.496 113.955 6.541 1
1 345 . 5 1 1 A 38 38 GLU H H 38 8.060 8.159 -0.099 1
1 346 . 5 1 1 A 38 38 GLU CA C 38 56.420 57.522 -1.102 1
1 347 . 5 1 1 A 38 38 GLU HA H 38 4.251 3.904 0.347 1
1 348 . 5 1 1 A 38 38 GLU CB C 38 30.580 27.387 3.193 1
1 354 . 5 1 1 A 39 39 LYS N N 39 123.793 119.669 4.124 1
1 355 . 5 1 1 A 39 39 LYS H H 39 8.427 7.721 0.706 1
1 356 . 5 1 1 A 39 39 LYS CA C 39 54.155 53.027 1.128 1
1 357 . 5 1 1 A 39 39 LYS HA H 39 4.574 4.871 -0.297 1
1 358 . 5 1 1 A 39 39 LYS CB C 39 32.536 33.444 -0.908 1
1 370 . 5 1 1 A 40 40 PRO CA C 40 63.229 62.671 0.558 1
1 371 . 5 1 1 A 40 40 PRO HA H 40 4.432 4.741 -0.309 1
1 372 . 5 1 1 A 40 40 PRO CB C 40 32.117 30.037 2.080 1
1 381 . 5 1 1 A 41 41 SER N N 41 116.420 119.228 -2.808 1
1 382 . 5 1 1 A 41 41 SER H H 41 8.435 8.382 0.053 1
1 383 . 5 1 1 A 43 43 PRO CA C 43 63.289 63.600 -0.311 1
1 384 . 5 1 1 A 43 43 PRO HA H 43 4.477 4.298 0.179 1
1 385 . 5 1 1 A 43 43 PRO CB C 43 32.212 32.257 -0.045 1
1 394 . 5 1 1 A 45 45 SER CA C 45 58.417 59.519 -1.102 1
1 395 . 5 1 1 A 45 45 SER HA H 45 4.517 4.450 0.067 1
1 396 . 5 1 1 A 45 45 SER CB C 45 63.947 64.359 -0.412 1
1 397 . 5 1 1 A 45 45 SER C C 45 173.927 174.568 -0.641 1
1 1 . 6 1 1 A 9 9 GLY CA C 9 45.457 45.602 -0.145 1
1 2 . 6 1 1 A 9 9 GLY HA2 H 9 3.947 4.107 -0.160 1
1 3 . 6 1 1 A 10 10 GLU N N 10 120.021 120.115 -0.094 1
1 4 . 6 1 1 A 10 10 GLU H H 10 8.232 7.971 0.261 1
1 5 . 6 1 1 A 10 10 GLU CA C 10 56.989 56.425 0.564 1
1 6 . 6 1 1 A 10 10 GLU HA H 10 4.186 4.292 -0.106 1
1 7 . 6 1 1 A 10 10 GLU CB C 10 30.382 31.117 -0.735 1
1 13 . 6 1 1 A 11 11 LYS N N 11 121.247 123.058 -1.811 1
1 14 . 6 1 1 A 11 11 LYS H H 11 8.262 8.565 -0.303 1
1 15 . 6 1 1 A 11 11 LYS CA C 11 53.662 52.875 0.787 1
1 16 . 6 1 1 A 11 11 LYS HA H 11 4.556 4.783 -0.227 1
1 17 . 6 1 1 A 11 11 LYS CB C 11 33.383 33.611 -0.228 1
1 29 . 6 1 1 A 12 12 PRO CA C 12 63.504 64.712 -1.208 1
1 30 . 6 1 1 A 12 12 PRO HA H 12 4.297 4.308 -0.011 1
1 31 . 6 1 1 A 12 12 PRO CB C 12 32.319 31.849 0.470 1
1 37 . 6 1 1 A 12 12 PRO C C 12 176.573 175.815 0.758 1
1 41 . 6 1 1 A 13 13 TYR N N 13 119.490 117.989 1.501 1
1 42 . 6 1 1 A 13 13 TYR H H 13 7.903 7.869 0.034 1
1 43 . 6 1 1 A 13 13 TYR CA C 13 57.922 57.238 0.684 1
1 44 . 6 1 1 A 13 13 TYR HA H 13 4.582 4.877 -0.295 1
1 45 . 6 1 1 A 13 13 TYR CB C 13 37.887 38.565 -0.678 1
1 55 . 6 1 1 A 13 13 TYR C C 13 174.376 174.670 -0.294 1
1 57 . 6 1 1 A 14 14 VAL N N 14 125.513 123.338 2.175 1
1 58 . 6 1 1 A 14 14 VAL H H 14 8.446 8.961 -0.515 1
1 59 . 6 1 1 A 14 14 VAL CA C 14 61.477 59.880 1.597 1
1 60 . 6 1 1 A 14 14 VAL HA H 14 4.552 5.370 -0.818 1
1 61 . 6 1 1 A 14 14 VAL CB C 14 34.386 34.856 -0.470 1
1 71 . 6 1 1 A 14 14 VAL C C 14 175.372 173.916 1.456 1
1 72 . 6 1 1 A 15 15 CYS N N 15 129.259 126.849 2.410 1
1 73 . 6 1 1 A 15 15 CYS H H 15 9.292 9.569 -0.277 1
1 74 . 6 1 1 A 15 15 CYS CA C 15 60.158 60.151 0.007 1
1 75 . 6 1 1 A 15 15 CYS HA H 15 4.513 4.643 -0.130 1
1 76 . 6 1 1 A 15 15 CYS CB C 15 29.975 28.854 1.121 1
1 78 . 6 1 1 A 15 15 CYS C C 15 176.962 175.646 1.316 1
1 80 . 6 1 1 A 16 16 ASP N N 16 115.898 127.885 -11.987 1
1 81 . 6 1 1 A 16 16 ASP H H 16 9.396 9.015 0.381 1
1 82 . 6 1 1 A 16 16 ASP CA C 16 56.513 54.818 1.695 1
1 83 . 6 1 1 A 16 16 ASP HA H 16 4.402 4.870 -0.468 1
1 84 . 6 1 1 A 16 16 ASP CB C 16 40.801 40.922 -0.121 1
1 86 . 6 1 1 A 16 16 ASP C C 16 176.136 176.438 -0.302 1
1 88 . 6 1 1 A 17 17 TYR N N 17 119.369 120.021 -0.652 1
1 89 . 6 1 1 A 17 17 TYR H H 17 8.841 7.994 0.847 1
1 90 . 6 1 1 A 17 17 TYR CA C 17 60.339 60.601 -0.262 1
1 91 . 6 1 1 A 17 17 TYR HA H 17 4.242 4.416 -0.174 1
1 92 . 6 1 1 A 17 17 TYR CB C 17 37.705 39.389 -1.684 1
1 102 . 6 1 1 A 17 17 TYR C C 17 177.144 177.360 -0.216 1
1 104 . 6 1 1 A 18 18 CYS N N 18 114.506 115.682 -1.176 1
1 105 . 6 1 1 A 18 18 CYS H H 18 7.999 8.239 -0.240 1
1 106 . 6 1 1 A 18 18 CYS CA C 18 58.405 59.455 -1.050 1
1 107 . 6 1 1 A 18 18 CYS HA H 18 5.187 4.709 0.478 1
1 108 . 6 1 1 A 18 18 CYS CB C 18 32.949 30.208 2.741 1
1 110 . 6 1 1 A 18 18 CYS C C 18 176.258 175.493 0.765 1
1 112 . 6 1 1 A 19 19 GLY N N 19 113.706 110.170 3.536 1
1 113 . 6 1 1 A 19 19 GLY H H 19 8.288 8.122 0.166 1
1 114 . 6 1 1 A 19 19 GLY CA C 19 46.197 45.552 0.645 1
1 115 . 6 1 1 A 19 19 GLY HA3 H 19 4.220 4.090 0.130 1
1 116 . 6 1 1 A 19 19 GLY C C 19 173.563 174.399 -0.836 1
1 117 . 6 1 1 A 19 19 GLY HA2 H 19 3.750 4.076 -0.326 1
1 118 . 6 1 1 A 20 20 LYS N N 20 123.570 120.709 2.861 1
1 119 . 6 1 1 A 20 20 LYS H H 20 8.091 7.804 0.287 1
1 120 . 6 1 1 A 20 20 LYS CA C 20 58.371 54.664 3.707 1
1 121 . 6 1 1 A 20 20 LYS HA H 20 3.934 4.510 -0.576 1
1 122 . 6 1 1 A 20 20 LYS CB C 20 33.556 34.543 -0.987 1
1 130 . 6 1 1 A 20 20 LYS C C 20 173.490 175.067 -1.577 1
1 135 . 6 1 1 A 21 21 ALA N N 21 124.602 127.632 -3.030 1
1 136 . 6 1 1 A 21 21 ALA H H 21 7.707 8.567 -0.860 1
1 137 . 6 1 1 A 21 21 ALA CA C 21 50.258 50.295 -0.037 1
1 138 . 6 1 1 A 21 21 ALA HA H 21 5.182 5.180 0.002 1
1 139 . 6 1 1 A 21 21 ALA CB C 21 22.647 21.715 0.932 1
1 143 . 6 1 1 A 21 21 ALA C C 21 176.452 175.847 0.605 1
1 144 . 6 1 1 A 22 22 PHE N N 22 117.531 117.764 -0.233 1
1 145 . 6 1 1 A 22 22 PHE H H 22 8.993 8.867 0.126 1
1 146 . 6 1 1 A 22 22 PHE CA C 22 57.291 56.565 0.726 1
1 147 . 6 1 1 A 22 22 PHE HA H 22 4.681 4.923 -0.242 1
1 148 . 6 1 1 A 22 22 PHE CB C 22 43.492 42.874 0.618 1
1 160 . 6 1 1 A 22 22 PHE C C 22 175.518 176.120 -0.602 1
1 162 . 6 1 1 A 23 23 GLY N N 23 108.429 111.921 -3.492 1
1 163 . 6 1 1 A 23 23 GLY H H 23 9.218 8.965 0.253 1
1 164 . 6 1 1 A 23 23 GLY CA C 23 46.310 45.755 0.555 1
1 165 . 6 1 1 A 23 23 GLY HA3 H 23 4.441 4.001 0.440 1
1 166 . 6 1 1 A 23 23 GLY C C 23 173.456 173.925 -0.469 1
1 167 . 6 1 1 A 23 23 GLY HA2 H 23 4.101 3.921 0.180 1
1 168 . 6 1 1 A 24 24 LEU N N 24 117.612 120.349 -2.737 1
1 169 . 6 1 1 A 24 24 LEU H H 24 7.590 7.686 -0.096 1
1 170 . 6 1 1 A 24 24 LEU CA C 24 53.046 54.039 -0.993 1
1 171 . 6 1 1 A 24 24 LEU HA H 24 4.876 4.535 0.341 1
1 172 . 6 1 1 A 24 24 LEU CB C 24 45.217 44.882 0.335 1
1 184 . 6 1 1 A 24 24 LEU C C 24 177.375 175.995 1.380 1
1 186 . 6 1 1 A 25 25 SER N N 25 121.264 120.938 0.326 1
1 187 . 6 1 1 A 25 25 SER H H 25 8.392 8.450 -0.058 1
1 188 . 6 1 1 A 25 25 SER CA C 25 61.134 61.534 -0.400 1
1 189 . 6 1 1 A 25 25 SER HA H 25 3.053 3.396 -0.343 1
1 190 . 6 1 1 A 25 25 SER CB C 25 61.763 62.237 -0.474 1
1 193 . 6 1 1 A 26 26 ALA N N 26 120.264 123.081 -2.817 1
1 194 . 6 1 1 A 26 26 ALA H H 26 8.540 7.928 0.612 1
1 195 . 6 1 1 A 26 26 ALA CA C 26 54.998 55.204 -0.206 1
1 196 . 6 1 1 A 26 26 ALA HA H 26 3.941 3.935 0.006 1
1 197 . 6 1 1 A 26 26 ALA CB C 26 18.632 18.319 0.313 1
1 201 . 6 1 1 A 26 26 ALA C C 26 180.701 180.303 0.398 1
1 202 . 6 1 1 A 27 27 GLU N N 27 114.495 118.210 -3.715 1
1 203 . 6 1 1 A 27 27 GLU H H 27 6.760 8.033 -1.273 1
1 204 . 6 1 1 A 27 27 GLU CA C 27 58.170 59.420 -1.250 1
1 205 . 6 1 1 A 27 27 GLU HA H 27 3.847 3.942 -0.095 1
1 206 . 6 1 1 A 27 27 GLU CB C 27 30.158 29.493 0.665 1
1 210 . 6 1 1 A 27 27 GLU C C 27 178.856 178.499 0.357 1
1 213 . 6 1 1 A 28 28 LEU N N 28 121.928 120.883 1.045 1
1 214 . 6 1 1 A 28 28 LEU H H 28 6.961 7.361 -0.400 1
1 215 . 6 1 1 A 28 28 LEU CA C 28 57.950 57.416 0.534 1
1 216 . 6 1 1 A 28 28 LEU HA H 28 3.347 3.175 0.172 1
1 217 . 6 1 1 A 28 28 LEU CB C 28 40.130 41.581 -1.451 1
1 229 . 6 1 1 A 28 28 LEU C C 28 177.702 178.319 -0.617 1
1 231 . 6 1 1 A 29 29 VAL N N 29 119.082 119.483 -0.401 1
1 232 . 6 1 1 A 29 29 VAL H H 29 8.093 8.000 0.093 1
1 233 . 6 1 1 A 29 29 VAL CA C 29 66.576 66.788 -0.212 1
1 234 . 6 1 1 A 29 29 VAL HA H 29 3.614 3.406 0.208 1
1 235 . 6 1 1 A 29 29 VAL CB C 29 31.696 31.326 0.370 1
1 245 . 6 1 1 A 29 29 VAL C C 29 178.880 177.404 1.476 1
1 246 . 6 1 1 A 30 30 ARG N N 30 117.780 119.264 -1.484 1
1 247 . 6 1 1 A 30 30 ARG H H 30 7.334 8.079 -0.745 1
1 248 . 6 1 1 A 30 30 ARG CA C 30 59.465 59.701 -0.236 1
1 249 . 6 1 1 A 30 30 ARG HA H 30 3.919 3.930 -0.011 1
1 250 . 6 1 1 A 30 30 ARG CB C 30 30.372 29.696 0.676 1
1 255 . 6 1 1 A 30 30 ARG C C 30 178.976 178.218 0.758 1
1 259 . 6 1 1 A 31 31 HIS N N 31 118.952 119.732 -0.780 1
1 260 . 6 1 1 A 31 31 HIS H H 31 7.707 7.638 0.069 1
1 261 . 6 1 1 A 31 31 HIS CA C 31 59.106 59.652 -0.546 1
1 262 . 6 1 1 A 31 31 HIS HA H 31 4.197 4.118 0.079 1
1 263 . 6 1 1 A 31 31 HIS CB C 31 28.625 29.998 -1.373 1
1 269 . 6 1 1 A 31 31 HIS C C 31 176.294 176.656 -0.362 1
1 271 . 6 1 1 A 32 32 GLN N N 32 114.837 116.961 -2.124 1
1 272 . 6 1 1 A 32 32 GLN H H 32 8.512 8.528 -0.016 1
1 273 . 6 1 1 A 32 32 GLN CA C 32 59.527 59.184 0.343 1
1 274 . 6 1 1 A 32 32 GLN HA H 32 3.682 3.772 -0.090 1
1 275 . 6 1 1 A 32 32 GLN CB C 32 28.414 28.247 0.167 1
1 282 . 6 1 1 A 32 32 GLN C C 32 177.046 178.549 -1.503 1
1 285 . 6 1 1 A 33 33 ARG N N 33 117.734 120.016 -2.282 1
1 286 . 6 1 1 A 33 33 ARG H H 33 7.088 8.080 -0.992 1
1 287 . 6 1 1 A 33 33 ARG CA C 33 58.432 58.849 -0.417 1
1 288 . 6 1 1 A 33 33 ARG HA H 33 4.115 4.094 0.021 1
1 289 . 6 1 1 A 33 33 ARG CB C 33 30.016 29.812 0.204 1
1 294 . 6 1 1 A 33 33 ARG C C 33 178.394 178.917 -0.523 1
1 298 . 6 1 1 A 34 34 ILE N N 34 115.478 117.307 -1.829 1
1 299 . 6 1 1 A 34 34 ILE H H 34 7.677 7.825 -0.148 1
1 300 . 6 1 1 A 34 34 ILE CA C 34 63.060 63.432 -0.372 1
1 301 . 6 1 1 A 34 34 ILE HA H 34 3.947 3.691 0.256 1
1 302 . 6 1 1 A 34 34 ILE CB C 34 37.660 37.275 0.385 1
1 314 . 6 1 1 A 34 34 ILE C C 34 177.059 176.757 0.302 1
1 316 . 6 1 1 A 35 35 HIS N N 35 117.439 119.160 -1.721 1
1 317 . 6 1 1 A 35 35 HIS H H 35 7.180 7.779 -0.599 1
1 318 . 6 1 1 A 35 35 HIS CA C 35 54.820 57.244 -2.424 1
1 319 . 6 1 1 A 35 35 HIS HA H 35 4.666 4.269 0.397 1
1 320 . 6 1 1 A 35 35 HIS CB C 35 28.012 30.921 -2.909 1
1 326 . 6 1 1 A 35 35 HIS C C 35 175.578 175.239 0.339 1
1 328 . 6 1 1 A 36 36 THR N N 36 111.209 106.040 5.169 1
1 329 . 6 1 1 A 36 36 THR H H 36 7.590 7.581 0.009 1
1 330 . 6 1 1 A 36 36 THR CA C 36 62.494 60.788 1.706 1
1 331 . 6 1 1 A 36 36 THR HA H 36 4.246 4.449 -0.203 1
1 332 . 6 1 1 A 36 36 THR CB C 36 69.710 69.942 -0.232 1
1 338 . 6 1 1 A 36 36 THR C C 36 175.421 173.753 1.668 1
1 339 . 6 1 1 A 37 37 GLY N N 37 110.931 110.639 0.292 1
1 340 . 6 1 1 A 37 37 GLY H H 37 8.251 8.379 -0.128 1
1 341 . 6 1 1 A 37 37 GLY CA C 37 45.328 44.438 0.890 1
1 342 . 6 1 1 A 37 37 GLY HA3 H 37 4.007 4.112 -0.105 1
1 343 . 6 1 1 A 37 37 GLY HA2 H 37 3.933 4.098 -0.165 1
1 344 . 6 1 1 A 38 38 GLU N N 38 120.496 120.663 -0.167 1
1 345 . 6 1 1 A 38 38 GLU H H 38 8.060 8.556 -0.496 1
1 346 . 6 1 1 A 38 38 GLU CA C 38 56.420 55.153 1.267 1
1 347 . 6 1 1 A 38 38 GLU HA H 38 4.251 4.835 -0.584 1
1 348 . 6 1 1 A 38 38 GLU CB C 38 30.580 30.619 -0.039 1
1 354 . 6 1 1 A 39 39 LYS N N 39 123.793 125.598 -1.805 1
1 355 . 6 1 1 A 39 39 LYS H H 39 8.427 8.527 -0.100 1
1 356 . 6 1 1 A 39 39 LYS CA C 39 54.155 52.651 1.504 1
1 357 . 6 1 1 A 39 39 LYS HA H 39 4.574 4.827 -0.253 1
1 358 . 6 1 1 A 39 39 LYS CB C 39 32.536 34.061 -1.525 1
1 370 . 6 1 1 A 40 40 PRO CA C 40 63.229 62.653 0.576 1
1 371 . 6 1 1 A 40 40 PRO HA H 40 4.432 4.688 -0.256 1
1 372 . 6 1 1 A 40 40 PRO CB C 40 32.117 31.853 0.264 1
1 381 . 6 1 1 A 41 41 SER N N 41 116.420 114.397 2.023 1
1 382 . 6 1 1 A 41 41 SER H H 41 8.435 8.238 0.197 1
1 383 . 6 1 1 A 43 43 PRO CA C 43 63.289 62.579 0.710 1
1 384 . 6 1 1 A 43 43 PRO HA H 43 4.477 4.567 -0.090 1
1 385 . 6 1 1 A 43 43 PRO CB C 43 32.212 32.704 -0.492 1
1 394 . 6 1 1 A 45 45 SER CA C 45 58.417 60.571 -2.154 1
1 395 . 6 1 1 A 45 45 SER HA H 45 4.517 4.709 -0.192 1
1 396 . 6 1 1 A 45 45 SER CB C 45 63.947 64.201 -0.254 1
1 397 . 6 1 1 A 45 45 SER C C 45 173.927 176.414 -2.487 1
1 1 . 7 1 1 A 9 9 GLY CA C 9 45.457 45.304 0.153 1
1 2 . 7 1 1 A 9 9 GLY HA2 H 9 3.947 4.008 -0.061 1
1 3 . 7 1 1 A 10 10 GLU N N 10 120.021 121.209 -1.188 1
1 4 . 7 1 1 A 10 10 GLU H H 10 8.232 8.423 -0.191 1
1 5 . 7 1 1 A 10 10 GLU CA C 10 56.989 56.313 0.676 1
1 6 . 7 1 1 A 10 10 GLU HA H 10 4.186 4.301 -0.115 1
1 7 . 7 1 1 A 10 10 GLU CB C 10 30.382 30.554 -0.172 1
1 13 . 7 1 1 A 11 11 LYS N N 11 121.247 123.328 -2.081 1
1 14 . 7 1 1 A 11 11 LYS H H 11 8.262 8.719 -0.457 1
1 15 . 7 1 1 A 11 11 LYS CA C 11 53.662 54.336 -0.674 1
1 16 . 7 1 1 A 11 11 LYS HA H 11 4.556 4.428 0.128 1
1 17 . 7 1 1 A 11 11 LYS CB C 11 33.383 31.881 1.502 1
1 29 . 7 1 1 A 12 12 PRO CA C 12 63.504 64.961 -1.457 1
1 30 . 7 1 1 A 12 12 PRO HA H 12 4.297 4.308 -0.011 1
1 31 . 7 1 1 A 12 12 PRO CB C 12 32.319 31.779 0.540 1
1 37 . 7 1 1 A 12 12 PRO C C 12 176.573 175.843 0.730 1
1 41 . 7 1 1 A 13 13 TYR N N 13 119.490 118.499 0.991 1
1 42 . 7 1 1 A 13 13 TYR H H 13 7.903 7.417 0.486 1
1 43 . 7 1 1 A 13 13 TYR CA C 13 57.922 57.807 0.115 1
1 44 . 7 1 1 A 13 13 TYR HA H 13 4.582 5.024 -0.442 1
1 45 . 7 1 1 A 13 13 TYR CB C 13 37.887 40.202 -2.315 1
1 55 . 7 1 1 A 13 13 TYR C C 13 174.376 175.950 -1.574 1
1 57 . 7 1 1 A 14 14 VAL N N 14 125.513 121.972 3.541 1
1 58 . 7 1 1 A 14 14 VAL H H 14 8.446 8.857 -0.411 1
1 59 . 7 1 1 A 14 14 VAL CA C 14 61.477 61.286 0.191 1
1 60 . 7 1 1 A 14 14 VAL HA H 14 4.552 5.054 -0.502 1
1 61 . 7 1 1 A 14 14 VAL CB C 14 34.386 35.400 -1.014 1
1 71 . 7 1 1 A 14 14 VAL C C 14 175.372 174.828 0.544 1
1 72 . 7 1 1 A 15 15 CYS N N 15 129.259 126.968 2.291 1
1 73 . 7 1 1 A 15 15 CYS H H 15 9.292 8.992 0.300 1
1 74 . 7 1 1 A 15 15 CYS CA C 15 60.158 59.629 0.529 1
1 75 . 7 1 1 A 15 15 CYS HA H 15 4.513 4.732 -0.219 1
1 76 . 7 1 1 A 15 15 CYS CB C 15 29.975 28.768 1.207 1
1 78 . 7 1 1 A 15 15 CYS C C 15 176.962 175.887 1.075 1
1 80 . 7 1 1 A 16 16 ASP N N 16 115.898 124.713 -8.815 1
1 81 . 7 1 1 A 16 16 ASP H H 16 9.396 8.623 0.773 1
1 82 . 7 1 1 A 16 16 ASP CA C 16 56.513 55.047 1.466 1
1 83 . 7 1 1 A 16 16 ASP HA H 16 4.402 4.662 -0.260 1
1 84 . 7 1 1 A 16 16 ASP CB C 16 40.801 41.849 -1.048 1
1 86 . 7 1 1 A 16 16 ASP C C 16 176.136 177.606 -1.470 1
1 88 . 7 1 1 A 17 17 TYR N N 17 119.369 121.460 -2.091 1
1 89 . 7 1 1 A 17 17 TYR H H 17 8.841 7.719 1.122 1
1 90 . 7 1 1 A 17 17 TYR CA C 17 60.339 62.230 -1.891 1
1 91 . 7 1 1 A 17 17 TYR HA H 17 4.242 3.984 0.258 1
1 92 . 7 1 1 A 17 17 TYR CB C 17 37.705 38.517 -0.812 1
1 102 . 7 1 1 A 17 17 TYR C C 17 177.144 177.822 -0.678 1
1 104 . 7 1 1 A 18 18 CYS N N 18 114.506 115.358 -0.852 1
1 105 . 7 1 1 A 18 18 CYS H H 18 7.999 7.580 0.419 1
1 106 . 7 1 1 A 18 18 CYS CA C 18 58.405 59.723 -1.318 1
1 107 . 7 1 1 A 18 18 CYS HA H 18 5.187 4.681 0.506 1
1 108 . 7 1 1 A 18 18 CYS CB C 18 32.949 29.694 3.255 1
1 110 . 7 1 1 A 18 18 CYS C C 18 176.258 175.357 0.901 1
1 112 . 7 1 1 A 19 19 GLY N N 19 113.706 110.338 3.368 1
1 113 . 7 1 1 A 19 19 GLY H H 19 8.288 8.277 0.011 1
1 114 . 7 1 1 A 19 19 GLY CA C 19 46.197 45.450 0.747 1
1 115 . 7 1 1 A 19 19 GLY HA3 H 19 4.220 4.102 0.118 1
1 116 . 7 1 1 A 19 19 GLY C C 19 173.563 174.535 -0.972 1
1 117 . 7 1 1 A 19 19 GLY HA2 H 19 3.750 4.078 -0.328 1
1 118 . 7 1 1 A 20 20 LYS N N 20 123.570 119.411 4.159 1
1 119 . 7 1 1 A 20 20 LYS H H 20 8.091 7.891 0.200 1
1 120 . 7 1 1 A 20 20 LYS CA C 20 58.371 55.102 3.269 1
1 121 . 7 1 1 A 20 20 LYS HA H 20 3.934 4.440 -0.506 1
1 122 . 7 1 1 A 20 20 LYS CB C 20 33.556 34.067 -0.511 1
1 130 . 7 1 1 A 20 20 LYS C C 20 173.490 175.140 -1.650 1
1 135 . 7 1 1 A 21 21 ALA N N 21 124.602 120.618 3.984 1
1 136 . 7 1 1 A 21 21 ALA H H 21 7.707 8.094 -0.387 1
1 137 . 7 1 1 A 21 21 ALA CA C 21 50.258 50.355 -0.097 1
1 138 . 7 1 1 A 21 21 ALA HA H 21 5.182 5.270 -0.088 1
1 139 . 7 1 1 A 21 21 ALA CB C 21 22.647 21.858 0.789 1
1 143 . 7 1 1 A 21 21 ALA C C 21 176.452 175.384 1.068 1
1 144 . 7 1 1 A 22 22 PHE N N 22 117.531 119.171 -1.640 1
1 145 . 7 1 1 A 22 22 PHE H H 22 8.993 9.225 -0.232 1
1 146 . 7 1 1 A 22 22 PHE CA C 22 57.291 55.976 1.315 1
1 147 . 7 1 1 A 22 22 PHE HA H 22 4.681 4.902 -0.221 1
1 148 . 7 1 1 A 22 22 PHE CB C 22 43.492 43.144 0.348 1
1 160 . 7 1 1 A 22 22 PHE C C 22 175.518 176.271 -0.753 1
1 162 . 7 1 1 A 23 23 GLY N N 23 108.429 111.945 -3.516 1
1 163 . 7 1 1 A 23 23 GLY H H 23 9.218 8.842 0.376 1
1 164 . 7 1 1 A 23 23 GLY CA C 23 46.310 46.465 -0.155 1
1 165 . 7 1 1 A 23 23 GLY HA3 H 23 4.441 4.103 0.338 1
1 166 . 7 1 1 A 23 23 GLY C C 23 173.456 174.140 -0.684 1
1 167 . 7 1 1 A 23 23 GLY HA2 H 23 4.101 4.015 0.086 1
1 168 . 7 1 1 A 24 24 LEU N N 24 117.612 121.887 -4.275 1
1 169 . 7 1 1 A 24 24 LEU H H 24 7.590 7.773 -0.183 1
1 170 . 7 1 1 A 24 24 LEU CA C 24 53.046 53.375 -0.329 1
1 171 . 7 1 1 A 24 24 LEU HA H 24 4.876 4.576 0.300 1
1 172 . 7 1 1 A 24 24 LEU CB C 24 45.217 44.795 0.422 1
1 184 . 7 1 1 A 24 24 LEU C C 24 177.375 177.186 0.189 1
1 186 . 7 1 1 A 25 25 SER N N 25 121.264 121.899 -0.635 1
1 187 . 7 1 1 A 25 25 SER H H 25 8.392 8.618 -0.226 1
1 188 . 7 1 1 A 25 25 SER CA C 25 61.134 61.417 -0.283 1
1 189 . 7 1 1 A 25 25 SER HA H 25 3.053 3.368 -0.315 1
1 190 . 7 1 1 A 25 25 SER CB C 25 61.763 62.253 -0.490 1
1 193 . 7 1 1 A 26 26 ALA N N 26 120.264 122.264 -2.000 1
1 194 . 7 1 1 A 26 26 ALA H H 26 8.540 8.111 0.429 1
1 195 . 7 1 1 A 26 26 ALA CA C 26 54.998 55.379 -0.381 1
1 196 . 7 1 1 A 26 26 ALA HA H 26 3.941 3.969 -0.028 1
1 197 . 7 1 1 A 26 26 ALA CB C 26 18.632 18.454 0.178 1
1 201 . 7 1 1 A 26 26 ALA C C 26 180.701 180.028 0.673 1
1 202 . 7 1 1 A 27 27 GLU N N 27 114.495 118.132 -3.637 1
1 203 . 7 1 1 A 27 27 GLU H H 27 6.760 8.072 -1.312 1
1 204 . 7 1 1 A 27 27 GLU CA C 27 58.170 58.998 -0.828 1
1 205 . 7 1 1 A 27 27 GLU HA H 27 3.847 3.887 -0.040 1
1 206 . 7 1 1 A 27 27 GLU CB C 27 30.158 29.284 0.874 1
1 210 . 7 1 1 A 27 27 GLU C C 27 178.856 178.841 0.015 1
1 213 . 7 1 1 A 28 28 LEU N N 28 121.928 121.876 0.052 1
1 214 . 7 1 1 A 28 28 LEU H H 28 6.961 7.525 -0.564 1
1 215 . 7 1 1 A 28 28 LEU CA C 28 57.950 57.858 0.092 1
1 216 . 7 1 1 A 28 28 LEU HA H 28 3.347 2.964 0.383 1
1 217 . 7 1 1 A 28 28 LEU CB C 28 40.130 41.359 -1.229 1
1 229 . 7 1 1 A 28 28 LEU C C 28 177.702 178.347 -0.645 1
1 231 . 7 1 1 A 29 29 VAL N N 29 119.082 119.379 -0.297 1
1 232 . 7 1 1 A 29 29 VAL H H 29 8.093 7.993 0.100 1
1 233 . 7 1 1 A 29 29 VAL CA C 29 66.576 66.793 -0.217 1
1 234 . 7 1 1 A 29 29 VAL HA H 29 3.614 3.420 0.194 1
1 235 . 7 1 1 A 29 29 VAL CB C 29 31.696 31.252 0.444 1
1 245 . 7 1 1 A 29 29 VAL C C 29 178.880 178.017 0.863 1
1 246 . 7 1 1 A 30 30 ARG N N 30 117.780 119.081 -1.301 1
1 247 . 7 1 1 A 30 30 ARG H H 30 7.334 8.299 -0.965 1
1 248 . 7 1 1 A 30 30 ARG CA C 30 59.465 58.355 1.110 1
1 249 . 7 1 1 A 30 30 ARG HA H 30 3.919 4.072 -0.153 1
1 250 . 7 1 1 A 30 30 ARG CB C 30 30.372 30.124 0.248 1
1 255 . 7 1 1 A 30 30 ARG C C 30 178.976 178.364 0.612 1
1 259 . 7 1 1 A 31 31 HIS N N 31 118.952 121.386 -2.434 1
1 260 . 7 1 1 A 31 31 HIS H H 31 7.707 7.759 -0.052 1
1 261 . 7 1 1 A 31 31 HIS CA C 31 59.106 58.768 0.338 1
1 262 . 7 1 1 A 31 31 HIS HA H 31 4.197 4.088 0.109 1
1 263 . 7 1 1 A 31 31 HIS CB C 31 28.625 30.025 -1.400 1
1 269 . 7 1 1 A 31 31 HIS C C 31 176.294 176.907 -0.613 1
1 271 . 7 1 1 A 32 32 GLN N N 32 114.837 117.293 -2.456 1
1 272 . 7 1 1 A 32 32 GLN H H 32 8.512 8.251 0.261 1
1 273 . 7 1 1 A 32 32 GLN CA C 32 59.527 58.942 0.585 1
1 274 . 7 1 1 A 32 32 GLN HA H 32 3.682 3.442 0.240 1
1 275 . 7 1 1 A 32 32 GLN CB C 32 28.414 28.293 0.121 1
1 282 . 7 1 1 A 32 32 GLN C C 32 177.046 178.324 -1.278 1
1 285 . 7 1 1 A 33 33 ARG N N 33 117.734 119.589 -1.855 1
1 286 . 7 1 1 A 33 33 ARG H H 33 7.088 7.975 -0.887 1
1 287 . 7 1 1 A 33 33 ARG CA C 33 58.432 58.766 -0.334 1
1 288 . 7 1 1 A 33 33 ARG HA H 33 4.115 4.176 -0.061 1
1 289 . 7 1 1 A 33 33 ARG CB C 33 30.016 29.787 0.229 1
1 294 . 7 1 1 A 33 33 ARG C C 33 178.394 178.745 -0.351 1
1 298 . 7 1 1 A 34 34 ILE N N 34 115.478 117.705 -2.227 1
1 299 . 7 1 1 A 34 34 ILE H H 34 7.677 7.815 -0.138 1
1 300 . 7 1 1 A 34 34 ILE CA C 34 63.060 63.697 -0.637 1
1 301 . 7 1 1 A 34 34 ILE HA H 34 3.947 3.649 0.298 1
1 302 . 7 1 1 A 34 34 ILE CB C 34 37.660 37.185 0.475 1
1 314 . 7 1 1 A 34 34 ILE C C 34 177.059 177.158 -0.099 1
1 316 . 7 1 1 A 35 35 HIS N N 35 117.439 119.126 -1.687 1
1 317 . 7 1 1 A 35 35 HIS H H 35 7.180 7.507 -0.327 1
1 318 . 7 1 1 A 35 35 HIS CA C 35 54.820 58.203 -3.383 1
1 319 . 7 1 1 A 35 35 HIS HA H 35 4.666 4.040 0.626 1
1 320 . 7 1 1 A 35 35 HIS CB C 35 28.012 30.535 -2.523 1
1 326 . 7 1 1 A 35 35 HIS C C 35 175.578 175.144 0.434 1
1 328 . 7 1 1 A 36 36 THR N N 36 111.209 108.729 2.480 1
1 329 . 7 1 1 A 36 36 THR H H 36 7.590 7.519 0.071 1
1 330 . 7 1 1 A 36 36 THR CA C 36 62.494 60.734 1.760 1
1 331 . 7 1 1 A 36 36 THR HA H 36 4.246 4.323 -0.077 1
1 332 . 7 1 1 A 36 36 THR CB C 36 69.710 70.076 -0.366 1
1 338 . 7 1 1 A 36 36 THR C C 36 175.421 174.868 0.553 1
1 339 . 7 1 1 A 37 37 GLY N N 37 110.931 113.286 -2.355 1
1 340 . 7 1 1 A 37 37 GLY H H 37 8.251 8.916 -0.665 1
1 341 . 7 1 1 A 37 37 GLY CA C 37 45.328 46.871 -1.543 1
1 342 . 7 1 1 A 37 37 GLY HA3 H 37 4.007 3.897 0.110 1
1 343 . 7 1 1 A 37 37 GLY HA2 H 37 3.933 3.887 0.046 1
1 344 . 7 1 1 A 38 38 GLU N N 38 120.496 119.610 0.886 1
1 345 . 7 1 1 A 38 38 GLU H H 38 8.060 7.793 0.267 1
1 346 . 7 1 1 A 38 38 GLU CA C 38 56.420 54.921 1.499 1
1 347 . 7 1 1 A 38 38 GLU HA H 38 4.251 4.679 -0.428 1
1 348 . 7 1 1 A 38 38 GLU CB C 38 30.580 33.386 -2.806 1
1 354 . 7 1 1 A 39 39 LYS N N 39 123.793 126.218 -2.425 1
1 355 . 7 1 1 A 39 39 LYS H H 39 8.427 8.339 0.088 1
1 356 . 7 1 1 A 39 39 LYS CA C 39 54.155 55.090 -0.935 1
1 357 . 7 1 1 A 39 39 LYS HA H 39 4.574 4.354 0.220 1
1 358 . 7 1 1 A 39 39 LYS CB C 39 32.536 31.565 0.971 1
1 370 . 7 1 1 A 40 40 PRO CA C 40 63.229 62.556 0.673 1
1 371 . 7 1 1 A 40 40 PRO HA H 40 4.432 4.761 -0.329 1
1 372 . 7 1 1 A 40 40 PRO CB C 40 32.117 29.575 2.542 1
1 381 . 7 1 1 A 41 41 SER N N 41 116.420 114.026 2.394 1
1 382 . 7 1 1 A 41 41 SER H H 41 8.435 8.371 0.064 1
1 383 . 7 1 1 A 43 43 PRO CA C 43 63.289 64.001 -0.712 1
1 384 . 7 1 1 A 43 43 PRO HA H 43 4.477 4.526 -0.049 1
1 385 . 7 1 1 A 43 43 PRO CB C 43 32.212 31.788 0.424 1
1 394 . 7 1 1 A 45 45 SER CA C 45 58.417 59.788 -1.371 1
1 395 . 7 1 1 A 45 45 SER HA H 45 4.517 4.428 0.089 1
1 396 . 7 1 1 A 45 45 SER CB C 45 63.947 63.023 0.924 1
1 397 . 7 1 1 A 45 45 SER C C 45 173.927 174.264 -0.337 1
1 1 . 8 1 1 A 9 9 GLY CA C 9 45.457 46.765 -1.308 1
1 2 . 8 1 1 A 9 9 GLY HA2 H 9 3.947 3.882 0.065 1
1 3 . 8 1 1 A 10 10 GLU N N 10 120.021 120.058 -0.037 1
1 4 . 8 1 1 A 10 10 GLU H H 10 8.232 8.100 0.132 1
1 5 . 8 1 1 A 10 10 GLU CA C 10 56.989 55.533 1.456 1
1 6 . 8 1 1 A 10 10 GLU HA H 10 4.186 4.604 -0.418 1
1 7 . 8 1 1 A 10 10 GLU CB C 10 30.382 29.751 0.631 1
1 13 . 8 1 1 A 11 11 LYS N N 11 121.247 125.921 -4.674 1
1 14 . 8 1 1 A 11 11 LYS H H 11 8.262 8.289 -0.027 1
1 15 . 8 1 1 A 11 11 LYS CA C 11 53.662 53.009 0.653 1
1 16 . 8 1 1 A 11 11 LYS HA H 11 4.556 4.837 -0.281 1
1 17 . 8 1 1 A 11 11 LYS CB C 11 33.383 34.047 -0.664 1
1 29 . 8 1 1 A 12 12 PRO CA C 12 63.504 64.966 -1.462 1
1 30 . 8 1 1 A 12 12 PRO HA H 12 4.297 4.343 -0.046 1
1 31 . 8 1 1 A 12 12 PRO CB C 12 32.319 31.697 0.622 1
1 37 . 8 1 1 A 12 12 PRO C C 12 176.573 176.055 0.518 1
1 41 . 8 1 1 A 13 13 TYR N N 13 119.490 117.768 1.722 1
1 42 . 8 1 1 A 13 13 TYR H H 13 7.903 7.927 -0.024 1
1 43 . 8 1 1 A 13 13 TYR CA C 13 57.922 57.703 0.219 1
1 44 . 8 1 1 A 13 13 TYR HA H 13 4.582 4.691 -0.109 1
1 45 . 8 1 1 A 13 13 TYR CB C 13 37.887 37.730 0.157 1
1 55 . 8 1 1 A 13 13 TYR C C 13 174.376 175.485 -1.109 1
1 57 . 8 1 1 A 14 14 VAL N N 14 125.513 124.624 0.889 1
1 58 . 8 1 1 A 14 14 VAL H H 14 8.446 8.617 -0.171 1
1 59 . 8 1 1 A 14 14 VAL CA C 14 61.477 61.370 0.107 1
1 60 . 8 1 1 A 14 14 VAL HA H 14 4.552 4.719 -0.167 1
1 61 . 8 1 1 A 14 14 VAL CB C 14 34.386 32.874 1.512 1
1 71 . 8 1 1 A 14 14 VAL C C 14 175.372 175.785 -0.413 1
1 72 . 8 1 1 A 15 15 CYS N N 15 129.259 127.736 1.523 1
1 73 . 8 1 1 A 15 15 CYS H H 15 9.292 8.989 0.303 1
1 74 . 8 1 1 A 15 15 CYS CA C 15 60.158 60.391 -0.233 1
1 75 . 8 1 1 A 15 15 CYS HA H 15 4.513 4.464 0.049 1
1 76 . 8 1 1 A 15 15 CYS CB C 15 29.975 29.285 0.690 1
1 78 . 8 1 1 A 15 15 CYS C C 15 176.962 176.083 0.879 1
1 80 . 8 1 1 A 16 16 ASP N N 16 115.898 128.793 -12.895 1
1 81 . 8 1 1 A 16 16 ASP H H 16 9.396 9.353 0.043 1
1 82 . 8 1 1 A 16 16 ASP CA C 16 56.513 53.677 2.836 1
1 83 . 8 1 1 A 16 16 ASP HA H 16 4.402 4.869 -0.467 1
1 84 . 8 1 1 A 16 16 ASP CB C 16 40.801 41.012 -0.211 1
1 86 . 8 1 1 A 16 16 ASP C C 16 176.136 177.474 -1.338 1
1 88 . 8 1 1 A 17 17 TYR N N 17 119.369 120.011 -0.642 1
1 89 . 8 1 1 A 17 17 TYR H H 17 8.841 7.945 0.896 1
1 90 . 8 1 1 A 17 17 TYR CA C 17 60.339 60.754 -0.415 1
1 91 . 8 1 1 A 17 17 TYR HA H 17 4.242 4.307 -0.065 1
1 92 . 8 1 1 A 17 17 TYR CB C 17 37.705 39.354 -1.649 1
1 102 . 8 1 1 A 17 17 TYR C C 17 177.144 177.398 -0.254 1
1 104 . 8 1 1 A 18 18 CYS N N 18 114.506 115.636 -1.130 1
1 105 . 8 1 1 A 18 18 CYS H H 18 7.999 8.194 -0.195 1
1 106 . 8 1 1 A 18 18 CYS CA C 18 58.405 59.480 -1.075 1
1 107 . 8 1 1 A 18 18 CYS HA H 18 5.187 4.720 0.467 1
1 108 . 8 1 1 A 18 18 CYS CB C 18 32.949 30.110 2.839 1
1 110 . 8 1 1 A 18 18 CYS C C 18 176.258 175.530 0.728 1
1 112 . 8 1 1 A 19 19 GLY N N 19 113.706 110.112 3.594 1
1 113 . 8 1 1 A 19 19 GLY H H 19 8.288 8.141 0.147 1
1 114 . 8 1 1 A 19 19 GLY CA C 19 46.197 45.007 1.190 1
1 115 . 8 1 1 A 19 19 GLY HA3 H 19 4.220 4.109 0.111 1
1 116 . 8 1 1 A 19 19 GLY C C 19 173.563 174.567 -1.004 1
1 117 . 8 1 1 A 19 19 GLY HA2 H 19 3.750 4.094 -0.344 1
1 118 . 8 1 1 A 20 20 LYS N N 20 123.570 122.534 1.036 1
1 119 . 8 1 1 A 20 20 LYS H H 20 8.091 7.648 0.443 1
1 120 . 8 1 1 A 20 20 LYS CA C 20 58.371 56.244 2.127 1
1 121 . 8 1 1 A 20 20 LYS HA H 20 3.934 4.082 -0.148 1
1 122 . 8 1 1 A 20 20 LYS CB C 20 33.556 32.678 0.878 1
1 130 . 8 1 1 A 20 20 LYS C C 20 173.490 175.571 -2.081 1
1 135 . 8 1 1 A 21 21 ALA N N 21 124.602 128.843 -4.241 1
1 136 . 8 1 1 A 21 21 ALA H H 21 7.707 8.209 -0.502 1
1 137 . 8 1 1 A 21 21 ALA CA C 21 50.258 51.528 -1.270 1
1 138 . 8 1 1 A 21 21 ALA HA H 21 5.182 4.531 0.651 1
1 139 . 8 1 1 A 21 21 ALA CB C 21 22.647 20.148 2.499 1
1 143 . 8 1 1 A 21 21 ALA C C 21 176.452 176.407 0.045 1
1 144 . 8 1 1 A 22 22 PHE N N 22 117.531 116.656 0.875 1
1 145 . 8 1 1 A 22 22 PHE H H 22 8.993 8.739 0.254 1
1 146 . 8 1 1 A 22 22 PHE CA C 22 57.291 56.666 0.625 1
1 147 . 8 1 1 A 22 22 PHE HA H 22 4.681 4.859 -0.178 1
1 148 . 8 1 1 A 22 22 PHE CB C 22 43.492 43.161 0.331 1
1 160 . 8 1 1 A 22 22 PHE C C 22 175.518 176.121 -0.603 1
1 162 . 8 1 1 A 23 23 GLY N N 23 108.429 112.033 -3.604 1
1 163 . 8 1 1 A 23 23 GLY H H 23 9.218 8.879 0.339 1
1 164 . 8 1 1 A 23 23 GLY CA C 23 46.310 46.663 -0.353 1
1 165 . 8 1 1 A 23 23 GLY HA3 H 23 4.441 4.047 0.394 1
1 166 . 8 1 1 A 23 23 GLY C C 23 173.456 174.135 -0.679 1
1 167 . 8 1 1 A 23 23 GLY HA2 H 23 4.101 3.980 0.121 1
1 168 . 8 1 1 A 24 24 LEU N N 24 117.612 121.268 -3.656 1
1 169 . 8 1 1 A 24 24 LEU H H 24 7.590 7.974 -0.384 1
1 170 . 8 1 1 A 24 24 LEU CA C 24 53.046 53.136 -0.090 1
1 171 . 8 1 1 A 24 24 LEU HA H 24 4.876 4.681 0.195 1
1 172 . 8 1 1 A 24 24 LEU CB C 24 45.217 43.905 1.312 1
1 184 . 8 1 1 A 24 24 LEU C C 24 177.375 176.914 0.461 1
1 186 . 8 1 1 A 25 25 SER N N 25 121.264 118.459 2.805 1
1 187 . 8 1 1 A 25 25 SER H H 25 8.392 8.768 -0.376 1
1 188 . 8 1 1 A 25 25 SER CA C 25 61.134 61.203 -0.069 1
1 189 . 8 1 1 A 25 25 SER HA H 25 3.053 3.391 -0.338 1
1 190 . 8 1 1 A 25 25 SER CB C 25 61.763 62.251 -0.488 1
1 193 . 8 1 1 A 26 26 ALA N N 26 120.264 122.200 -1.936 1
1 194 . 8 1 1 A 26 26 ALA H H 26 8.540 8.165 0.375 1
1 195 . 8 1 1 A 26 26 ALA CA C 26 54.998 55.244 -0.246 1
1 196 . 8 1 1 A 26 26 ALA HA H 26 3.941 3.967 -0.026 1
1 197 . 8 1 1 A 26 26 ALA CB C 26 18.632 18.526 0.106 1
1 201 . 8 1 1 A 26 26 ALA C C 26 180.701 179.946 0.755 1
1 202 . 8 1 1 A 27 27 GLU N N 27 114.495 118.083 -3.588 1
1 203 . 8 1 1 A 27 27 GLU H H 27 6.760 7.986 -1.226 1
1 204 . 8 1 1 A 27 27 GLU CA C 27 58.170 59.176 -1.006 1
1 205 . 8 1 1 A 27 27 GLU HA H 27 3.847 3.899 -0.052 1
1 206 . 8 1 1 A 27 27 GLU CB C 27 30.158 29.249 0.909 1
1 210 . 8 1 1 A 27 27 GLU C C 27 178.856 178.930 -0.074 1
1 213 . 8 1 1 A 28 28 LEU N N 28 121.928 121.408 0.520 1
1 214 . 8 1 1 A 28 28 LEU H H 28 6.961 7.432 -0.471 1
1 215 . 8 1 1 A 28 28 LEU CA C 28 57.950 57.476 0.474 1
1 216 . 8 1 1 A 28 28 LEU HA H 28 3.347 3.017 0.330 1
1 217 . 8 1 1 A 28 28 LEU CB C 28 40.130 41.333 -1.203 1
1 229 . 8 1 1 A 28 28 LEU C C 28 177.702 178.105 -0.403 1
1 231 . 8 1 1 A 29 29 VAL N N 29 119.082 119.140 -0.058 1
1 232 . 8 1 1 A 29 29 VAL H H 29 8.093 8.009 0.084 1
1 233 . 8 1 1 A 29 29 VAL CA C 29 66.576 66.615 -0.039 1
1 234 . 8 1 1 A 29 29 VAL HA H 29 3.614 3.460 0.154 1
1 235 . 8 1 1 A 29 29 VAL CB C 29 31.696 31.150 0.546 1
1 245 . 8 1 1 A 29 29 VAL C C 29 178.880 177.945 0.935 1
1 246 . 8 1 1 A 30 30 ARG N N 30 117.780 119.633 -1.853 1
1 247 . 8 1 1 A 30 30 ARG H H 30 7.334 8.491 -1.157 1
1 248 . 8 1 1 A 30 30 ARG CA C 30 59.465 58.285 1.180 1
1 249 . 8 1 1 A 30 30 ARG HA H 30 3.919 4.047 -0.128 1
1 250 . 8 1 1 A 30 30 ARG CB C 30 30.372 29.446 0.926 1
1 255 . 8 1 1 A 30 30 ARG C C 30 178.976 178.160 0.816 1
1 259 . 8 1 1 A 31 31 HIS N N 31 118.952 120.194 -1.242 1
1 260 . 8 1 1 A 31 31 HIS H H 31 7.707 7.687 0.020 1
1 261 . 8 1 1 A 31 31 HIS CA C 31 59.106 59.156 -0.050 1
1 262 . 8 1 1 A 31 31 HIS HA H 31 4.197 4.119 0.078 1
1 263 . 8 1 1 A 31 31 HIS CB C 31 28.625 29.640 -1.015 1
1 269 . 8 1 1 A 31 31 HIS C C 31 176.294 177.330 -1.036 1
1 271 . 8 1 1 A 32 32 GLN N N 32 114.837 117.750 -2.913 1
1 272 . 8 1 1 A 32 32 GLN H H 32 8.512 8.219 0.293 1
1 273 . 8 1 1 A 32 32 GLN CA C 32 59.527 58.943 0.584 1
1 274 . 8 1 1 A 32 32 GLN HA H 32 3.682 3.657 0.025 1
1 275 . 8 1 1 A 32 32 GLN CB C 32 28.414 28.209 0.205 1
1 282 . 8 1 1 A 32 32 GLN C C 32 177.046 178.496 -1.450 1
1 285 . 8 1 1 A 33 33 ARG N N 33 117.734 119.311 -1.577 1
1 286 . 8 1 1 A 33 33 ARG H H 33 7.088 7.942 -0.854 1
1 287 . 8 1 1 A 33 33 ARG CA C 33 58.432 58.842 -0.410 1
1 288 . 8 1 1 A 33 33 ARG HA H 33 4.115 3.969 0.146 1
1 289 . 8 1 1 A 33 33 ARG CB C 33 30.016 29.962 0.054 1
1 294 . 8 1 1 A 33 33 ARG C C 33 178.394 178.724 -0.330 1
1 298 . 8 1 1 A 34 34 ILE N N 34 115.478 116.093 -0.615 1
1 299 . 8 1 1 A 34 34 ILE H H 34 7.677 7.386 0.291 1
1 300 . 8 1 1 A 34 34 ILE CA C 34 63.060 63.818 -0.758 1
1 301 . 8 1 1 A 34 34 ILE HA H 34 3.947 3.772 0.175 1
1 302 . 8 1 1 A 34 34 ILE CB C 34 37.660 36.771 0.889 1
1 314 . 8 1 1 A 34 34 ILE C C 34 177.059 176.631 0.428 1
1 316 . 8 1 1 A 35 35 HIS N N 35 117.439 119.381 -1.942 1
1 317 . 8 1 1 A 35 35 HIS H H 35 7.180 7.532 -0.352 1
1 318 . 8 1 1 A 35 35 HIS CA C 35 54.820 55.562 -0.742 1
1 319 . 8 1 1 A 35 35 HIS HA H 35 4.666 4.322 0.344 1
1 320 . 8 1 1 A 35 35 HIS CB C 35 28.012 28.893 -0.881 1
1 326 . 8 1 1 A 35 35 HIS C C 35 175.578 174.057 1.521 1
1 328 . 8 1 1 A 36 36 THR N N 36 111.209 109.460 1.749 1
1 329 . 8 1 1 A 36 36 THR H H 36 7.590 7.471 0.119 1
1 330 . 8 1 1 A 36 36 THR CA C 36 62.494 60.588 1.906 1
1 331 . 8 1 1 A 36 36 THR HA H 36 4.246 4.556 -0.310 1
1 332 . 8 1 1 A 36 36 THR CB C 36 69.710 71.289 -1.579 1
1 338 . 8 1 1 A 36 36 THR C C 36 175.421 174.569 0.852 1
1 339 . 8 1 1 A 37 37 GLY N N 37 110.931 110.176 0.755 1
1 340 . 8 1 1 A 37 37 GLY H H 37 8.251 8.474 -0.223 1
1 341 . 8 1 1 A 37 37 GLY CA C 37 45.328 47.262 -1.934 1
1 342 . 8 1 1 A 37 37 GLY HA3 H 37 4.007 3.874 0.133 1
1 343 . 8 1 1 A 37 37 GLY HA2 H 37 3.933 3.862 0.071 1
1 344 . 8 1 1 A 38 38 GLU N N 38 120.496 125.929 -5.433 1
1 345 . 8 1 1 A 38 38 GLU H H 38 8.060 8.443 -0.383 1
1 346 . 8 1 1 A 38 38 GLU CA C 38 56.420 58.964 -2.544 1
1 347 . 8 1 1 A 38 38 GLU HA H 38 4.251 4.079 0.172 1
1 348 . 8 1 1 A 38 38 GLU CB C 38 30.580 29.208 1.372 1
1 354 . 8 1 1 A 39 39 LYS N N 39 123.793 120.452 3.341 1
1 355 . 8 1 1 A 39 39 LYS H H 39 8.427 7.803 0.624 1
1 356 . 8 1 1 A 39 39 LYS CA C 39 54.155 53.402 0.753 1
1 357 . 8 1 1 A 39 39 LYS HA H 39 4.574 4.677 -0.103 1
1 358 . 8 1 1 A 39 39 LYS CB C 39 32.536 33.303 -0.767 1
1 370 . 8 1 1 A 40 40 PRO CA C 40 63.229 64.652 -1.423 1
1 371 . 8 1 1 A 40 40 PRO HA H 40 4.432 4.474 -0.042 1
1 372 . 8 1 1 A 40 40 PRO CB C 40 32.117 32.076 0.041 1
1 381 . 8 1 1 A 41 41 SER N N 41 116.420 111.863 4.557 1
1 382 . 8 1 1 A 41 41 SER H H 41 8.435 7.501 0.934 1
1 383 . 8 1 1 A 43 43 PRO CA C 43 63.289 64.934 -1.645 1
1 384 . 8 1 1 A 43 43 PRO HA H 43 4.477 4.356 0.121 1
1 385 . 8 1 1 A 43 43 PRO CB C 43 32.212 31.659 0.553 1
1 394 . 8 1 1 A 45 45 SER CA C 45 58.417 59.547 -1.130 1
1 395 . 8 1 1 A 45 45 SER HA H 45 4.517 4.170 0.347 1
1 396 . 8 1 1 A 45 45 SER CB C 45 63.947 63.295 0.652 1
1 397 . 8 1 1 A 45 45 SER C C 45 173.927 174.654 -0.727 1
1 1 . 9 1 1 A 9 9 GLY CA C 9 45.457 46.643 -1.186 1
1 2 . 9 1 1 A 9 9 GLY HA2 H 9 3.947 3.927 0.020 1
1 3 . 9 1 1 A 10 10 GLU N N 10 120.021 119.419 0.602 1
1 4 . 9 1 1 A 10 10 GLU H H 10 8.232 8.068 0.164 1
1 5 . 9 1 1 A 10 10 GLU CA C 10 56.989 56.702 0.287 1
1 6 . 9 1 1 A 10 10 GLU HA H 10 4.186 4.263 -0.077 1
1 7 . 9 1 1 A 10 10 GLU CB C 10 30.382 30.892 -0.510 1
1 13 . 9 1 1 A 11 11 LYS N N 11 121.247 122.024 -0.777 1
1 14 . 9 1 1 A 11 11 LYS H H 11 8.262 8.560 -0.298 1
1 15 . 9 1 1 A 11 11 LYS CA C 11 53.662 54.895 -1.233 1
1 16 . 9 1 1 A 11 11 LYS HA H 11 4.556 4.372 0.184 1
1 17 . 9 1 1 A 11 11 LYS CB C 11 33.383 31.936 1.447 1
1 29 . 9 1 1 A 12 12 PRO CA C 12 63.504 64.980 -1.476 1
1 30 . 9 1 1 A 12 12 PRO HA H 12 4.297 4.327 -0.030 1
1 31 . 9 1 1 A 12 12 PRO CB C 12 32.319 31.633 0.686 1
1 37 . 9 1 1 A 12 12 PRO C C 12 176.573 175.932 0.641 1
1 41 . 9 1 1 A 13 13 TYR N N 13 119.490 117.825 1.665 1
1 42 . 9 1 1 A 13 13 TYR H H 13 7.903 7.866 0.037 1
1 43 . 9 1 1 A 13 13 TYR CA C 13 57.922 57.714 0.208 1
1 44 . 9 1 1 A 13 13 TYR HA H 13 4.582 4.723 -0.141 1
1 45 . 9 1 1 A 13 13 TYR CB C 13 37.887 38.470 -0.583 1
1 55 . 9 1 1 A 13 13 TYR C C 13 174.376 175.004 -0.628 1
1 57 . 9 1 1 A 14 14 VAL N N 14 125.513 123.043 2.470 1
1 58 . 9 1 1 A 14 14 VAL H H 14 8.446 8.794 -0.348 1
1 59 . 9 1 1 A 14 14 VAL CA C 14 61.477 59.957 1.520 1
1 60 . 9 1 1 A 14 14 VAL HA H 14 4.552 5.008 -0.456 1
1 61 . 9 1 1 A 14 14 VAL CB C 14 34.386 35.682 -1.296 1
1 71 . 9 1 1 A 14 14 VAL C C 14 175.372 173.149 2.223 1
1 72 . 9 1 1 A 15 15 CYS N N 15 129.259 126.236 3.023 1
1 73 . 9 1 1 A 15 15 CYS H H 15 9.292 9.136 0.156 1
1 74 . 9 1 1 A 15 15 CYS CA C 15 60.158 59.109 1.049 1
1 75 . 9 1 1 A 15 15 CYS HA H 15 4.513 4.857 -0.344 1
1 76 . 9 1 1 A 15 15 CYS CB C 15 29.975 29.375 0.600 1
1 78 . 9 1 1 A 15 15 CYS C C 15 176.962 174.435 2.527 1
1 80 . 9 1 1 A 16 16 ASP N N 16 115.898 126.589 -10.691 1
1 81 . 9 1 1 A 16 16 ASP H H 16 9.396 9.023 0.373 1
1 82 . 9 1 1 A 16 16 ASP CA C 16 56.513 55.600 0.913 1
1 83 . 9 1 1 A 16 16 ASP HA H 16 4.402 4.732 -0.330 1
1 84 . 9 1 1 A 16 16 ASP CB C 16 40.801 41.272 -0.471 1
1 86 . 9 1 1 A 16 16 ASP C C 16 176.136 177.480 -1.344 1
1 88 . 9 1 1 A 17 17 TYR N N 17 119.369 121.866 -2.497 1
1 89 . 9 1 1 A 17 17 TYR H H 17 8.841 7.777 1.064 1
1 90 . 9 1 1 A 17 17 TYR CA C 17 60.339 62.196 -1.857 1
1 91 . 9 1 1 A 17 17 TYR HA H 17 4.242 3.946 0.296 1
1 92 . 9 1 1 A 17 17 TYR CB C 17 37.705 38.511 -0.806 1
1 102 . 9 1 1 A 17 17 TYR C C 17 177.144 177.950 -0.806 1
1 104 . 9 1 1 A 18 18 CYS N N 18 114.506 115.478 -0.972 1
1 105 . 9 1 1 A 18 18 CYS H H 18 7.999 7.549 0.450 1
1 106 . 9 1 1 A 18 18 CYS CA C 18 58.405 59.677 -1.272 1
1 107 . 9 1 1 A 18 18 CYS HA H 18 5.187 4.738 0.449 1
1 108 . 9 1 1 A 18 18 CYS CB C 18 32.949 29.768 3.181 1
1 110 . 9 1 1 A 18 18 CYS C C 18 176.258 175.356 0.902 1
1 112 . 9 1 1 A 19 19 GLY N N 19 113.706 110.487 3.219 1
1 113 . 9 1 1 A 19 19 GLY H H 19 8.288 8.215 0.073 1
1 114 . 9 1 1 A 19 19 GLY CA C 19 46.197 45.167 1.030 1
1 115 . 9 1 1 A 19 19 GLY HA3 H 19 4.220 4.102 0.118 1
1 116 . 9 1 1 A 19 19 GLY C C 19 173.563 174.267 -0.704 1
1 117 . 9 1 1 A 19 19 GLY HA2 H 19 3.750 4.086 -0.336 1
1 118 . 9 1 1 A 20 20 LYS N N 20 123.570 121.858 1.712 1
1 119 . 9 1 1 A 20 20 LYS H H 20 8.091 7.531 0.560 1
1 120 . 9 1 1 A 20 20 LYS CA C 20 58.371 55.127 3.244 1
1 121 . 9 1 1 A 20 20 LYS HA H 20 3.934 4.345 -0.411 1
1 122 . 9 1 1 A 20 20 LYS CB C 20 33.556 33.254 0.302 1
1 130 . 9 1 1 A 20 20 LYS C C 20 173.490 175.721 -2.231 1
1 135 . 9 1 1 A 21 21 ALA N N 21 124.602 128.812 -4.210 1
1 136 . 9 1 1 A 21 21 ALA H H 21 7.707 8.353 -0.646 1
1 137 . 9 1 1 A 21 21 ALA CA C 21 50.258 51.065 -0.807 1
1 138 . 9 1 1 A 21 21 ALA HA H 21 5.182 4.772 0.410 1
1 139 . 9 1 1 A 21 21 ALA CB C 21 22.647 20.327 2.320 1
1 143 . 9 1 1 A 21 21 ALA C C 21 176.452 176.386 0.066 1
1 144 . 9 1 1 A 22 22 PHE N N 22 117.531 117.208 0.323 1
1 145 . 9 1 1 A 22 22 PHE H H 22 8.993 9.015 -0.022 1
1 146 . 9 1 1 A 22 22 PHE CA C 22 57.291 56.664 0.627 1
1 147 . 9 1 1 A 22 22 PHE HA H 22 4.681 4.942 -0.261 1
1 148 . 9 1 1 A 22 22 PHE CB C 22 43.492 42.901 0.591 1
1 160 . 9 1 1 A 22 22 PHE C C 22 175.518 176.174 -0.656 1
1 162 . 9 1 1 A 23 23 GLY N N 23 108.429 110.996 -2.567 1
1 163 . 9 1 1 A 23 23 GLY H H 23 9.218 8.978 0.240 1
1 164 . 9 1 1 A 23 23 GLY CA C 23 46.310 46.951 -0.641 1
1 165 . 9 1 1 A 23 23 GLY HA3 H 23 4.441 4.009 0.432 1
1 166 . 9 1 1 A 23 23 GLY C C 23 173.456 174.464 -1.008 1
1 167 . 9 1 1 A 23 23 GLY HA2 H 23 4.101 3.950 0.151 1
1 168 . 9 1 1 A 24 24 LEU N N 24 117.612 121.378 -3.766 1
1 169 . 9 1 1 A 24 24 LEU H H 24 7.590 7.988 -0.398 1
1 170 . 9 1 1 A 24 24 LEU CA C 24 53.046 53.553 -0.507 1
1 171 . 9 1 1 A 24 24 LEU HA H 24 4.876 4.718 0.158 1
1 172 . 9 1 1 A 24 24 LEU CB C 24 45.217 44.044 1.173 1
1 184 . 9 1 1 A 24 24 LEU C C 24 177.375 176.596 0.779 1
1 186 . 9 1 1 A 25 25 SER N N 25 121.264 117.897 3.367 1
1 187 . 9 1 1 A 25 25 SER H H 25 8.392 8.772 -0.380 1
1 188 . 9 1 1 A 25 25 SER CA C 25 61.134 60.914 0.220 1
1 189 . 9 1 1 A 25 25 SER HA H 25 3.053 3.057 -0.004 1
1 190 . 9 1 1 A 25 25 SER CB C 25 61.763 62.487 -0.724 1
1 193 . 9 1 1 A 26 26 ALA N N 26 120.264 122.114 -1.850 1
1 194 . 9 1 1 A 26 26 ALA H H 26 8.540 8.042 0.498 1
1 195 . 9 1 1 A 26 26 ALA CA C 26 54.998 55.231 -0.233 1
1 196 . 9 1 1 A 26 26 ALA HA H 26 3.941 3.911 0.030 1
1 197 . 9 1 1 A 26 26 ALA CB C 26 18.632 18.393 0.239 1
1 201 . 9 1 1 A 26 26 ALA C C 26 180.701 180.190 0.511 1
1 202 . 9 1 1 A 27 27 GLU N N 27 114.495 118.271 -3.776 1
1 203 . 9 1 1 A 27 27 GLU H H 27 6.760 7.981 -1.221 1
1 204 . 9 1 1 A 27 27 GLU CA C 27 58.170 59.281 -1.111 1
1 205 . 9 1 1 A 27 27 GLU HA H 27 3.847 3.777 0.070 1
1 206 . 9 1 1 A 27 27 GLU CB C 27 30.158 29.154 1.004 1
1 210 . 9 1 1 A 27 27 GLU C C 27 178.856 178.698 0.158 1
1 213 . 9 1 1 A 28 28 LEU N N 28 121.928 121.754 0.174 1
1 214 . 9 1 1 A 28 28 LEU H H 28 6.961 7.557 -0.596 1
1 215 . 9 1 1 A 28 28 LEU CA C 28 57.950 57.915 0.035 1
1 216 . 9 1 1 A 28 28 LEU HA H 28 3.347 3.260 0.087 1
1 217 . 9 1 1 A 28 28 LEU CB C 28 40.130 41.608 -1.478 1
1 229 . 9 1 1 A 28 28 LEU C C 28 177.702 178.611 -0.909 1
1 231 . 9 1 1 A 29 29 VAL N N 29 119.082 119.564 -0.482 1
1 232 . 9 1 1 A 29 29 VAL H H 29 8.093 7.630 0.463 1
1 233 . 9 1 1 A 29 29 VAL CA C 29 66.576 67.106 -0.530 1
1 234 . 9 1 1 A 29 29 VAL HA H 29 3.614 3.434 0.180 1
1 235 . 9 1 1 A 29 29 VAL CB C 29 31.696 31.277 0.419 1
1 245 . 9 1 1 A 29 29 VAL C C 29 178.880 177.623 1.257 1
1 246 . 9 1 1 A 30 30 ARG N N 30 117.780 118.891 -1.111 1
1 247 . 9 1 1 A 30 30 ARG H H 30 7.334 7.844 -0.510 1
1 248 . 9 1 1 A 30 30 ARG CA C 30 59.465 59.128 0.337 1
1 249 . 9 1 1 A 30 30 ARG HA H 30 3.919 3.974 -0.055 1
1 250 . 9 1 1 A 30 30 ARG CB C 30 30.372 29.523 0.849 1
1 255 . 9 1 1 A 30 30 ARG C C 30 178.976 178.271 0.705 1
1 259 . 9 1 1 A 31 31 HIS N N 31 118.952 121.016 -2.064 1
1 260 . 9 1 1 A 31 31 HIS H H 31 7.707 7.867 -0.160 1
1 261 . 9 1 1 A 31 31 HIS CA C 31 59.106 59.440 -0.334 1
1 262 . 9 1 1 A 31 31 HIS HA H 31 4.197 4.110 0.087 1
1 263 . 9 1 1 A 31 31 HIS CB C 31 28.625 29.597 -0.972 1
1 269 . 9 1 1 A 31 31 HIS C C 31 176.294 176.907 -0.613 1
1 271 . 9 1 1 A 32 32 GLN N N 32 114.837 117.336 -2.499 1
1 272 . 9 1 1 A 32 32 GLN H H 32 8.512 8.433 0.079 1
1 273 . 9 1 1 A 32 32 GLN CA C 32 59.527 58.973 0.554 1
1 274 . 9 1 1 A 32 32 GLN HA H 32 3.682 3.641 0.041 1
1 275 . 9 1 1 A 32 32 GLN CB C 32 28.414 28.382 0.032 1
1 282 . 9 1 1 A 32 32 GLN C C 32 177.046 178.323 -1.277 1
1 285 . 9 1 1 A 33 33 ARG N N 33 117.734 119.807 -2.073 1
1 286 . 9 1 1 A 33 33 ARG H H 33 7.088 8.064 -0.976 1
1 287 . 9 1 1 A 33 33 ARG CA C 33 58.432 58.870 -0.438 1
1 288 . 9 1 1 A 33 33 ARG HA H 33 4.115 4.123 -0.008 1
1 289 . 9 1 1 A 33 33 ARG CB C 33 30.016 29.634 0.382 1
1 294 . 9 1 1 A 33 33 ARG C C 33 178.394 178.744 -0.350 1
1 298 . 9 1 1 A 34 34 ILE N N 34 115.478 117.197 -1.719 1
1 299 . 9 1 1 A 34 34 ILE H H 34 7.677 7.782 -0.105 1
1 300 . 9 1 1 A 34 34 ILE CA C 34 63.060 63.336 -0.276 1
1 301 . 9 1 1 A 34 34 ILE HA H 34 3.947 3.674 0.273 1
1 302 . 9 1 1 A 34 34 ILE CB C 34 37.660 37.334 0.326 1
1 314 . 9 1 1 A 34 34 ILE C C 34 177.059 176.704 0.355 1
1 316 . 9 1 1 A 35 35 HIS N N 35 117.439 119.354 -1.915 1
1 317 . 9 1 1 A 35 35 HIS H H 35 7.180 7.746 -0.566 1
1 318 . 9 1 1 A 35 35 HIS CA C 35 54.820 57.519 -2.699 1
1 319 . 9 1 1 A 35 35 HIS HA H 35 4.666 4.173 0.493 1
1 320 . 9 1 1 A 35 35 HIS CB C 35 28.012 31.307 -3.295 1
1 326 . 9 1 1 A 35 35 HIS C C 35 175.578 175.556 0.022 1
1 328 . 9 1 1 A 36 36 THR N N 36 111.209 106.762 4.447 1
1 329 . 9 1 1 A 36 36 THR H H 36 7.590 7.649 -0.059 1
1 330 . 9 1 1 A 36 36 THR CA C 36 62.494 60.823 1.671 1
1 331 . 9 1 1 A 36 36 THR HA H 36 4.246 4.478 -0.232 1
1 332 . 9 1 1 A 36 36 THR CB C 36 69.710 69.685 0.025 1
1 338 . 9 1 1 A 36 36 THR C C 36 175.421 174.754 0.667 1
1 339 . 9 1 1 A 37 37 GLY N N 37 110.931 113.947 -3.016 1
1 340 . 9 1 1 A 37 37 GLY H H 37 8.251 8.638 -0.387 1
1 341 . 9 1 1 A 37 37 GLY CA C 37 45.328 46.693 -1.365 1
1 342 . 9 1 1 A 37 37 GLY HA3 H 37 4.007 3.975 0.032 1
1 343 . 9 1 1 A 37 37 GLY HA2 H 37 3.933 3.966 -0.033 1
1 344 . 9 1 1 A 38 38 GLU N N 38 120.496 119.734 0.762 1
1 345 . 9 1 1 A 38 38 GLU H H 38 8.060 7.840 0.220 1
1 346 . 9 1 1 A 38 38 GLU CA C 38 56.420 55.179 1.241 1
1 347 . 9 1 1 A 38 38 GLU HA H 38 4.251 4.703 -0.452 1
1 348 . 9 1 1 A 38 38 GLU CB C 38 30.580 31.438 -0.858 1
1 354 . 9 1 1 A 39 39 LYS N N 39 123.793 122.408 1.385 1
1 355 . 9 1 1 A 39 39 LYS H H 39 8.427 8.288 0.139 1
1 356 . 9 1 1 A 39 39 LYS CA C 39 54.155 54.307 -0.152 1
1 357 . 9 1 1 A 39 39 LYS HA H 39 4.574 4.783 -0.209 1
1 358 . 9 1 1 A 39 39 LYS CB C 39 32.536 32.953 -0.417 1
1 370 . 9 1 1 A 40 40 PRO CA C 40 63.229 62.510 0.719 1
1 371 . 9 1 1 A 40 40 PRO HA H 40 4.432 4.737 -0.305 1
1 372 . 9 1 1 A 40 40 PRO CB C 40 32.117 29.442 2.675 1
1 381 . 9 1 1 A 41 41 SER N N 41 116.420 119.345 -2.925 1
1 382 . 9 1 1 A 41 41 SER H H 41 8.435 8.494 -0.059 1
1 383 . 9 1 1 A 43 43 PRO CA C 43 63.289 62.420 0.869 1
1 384 . 9 1 1 A 43 43 PRO HA H 43 4.477 4.539 -0.062 1
1 385 . 9 1 1 A 43 43 PRO CB C 43 32.212 33.463 -1.251 1
1 394 . 9 1 1 A 45 45 SER CA C 45 58.417 57.225 1.192 1
1 395 . 9 1 1 A 45 45 SER HA H 45 4.517 4.781 -0.264 1
1 396 . 9 1 1 A 45 45 SER CB C 45 63.947 63.103 0.844 1
1 397 . 9 1 1 A 45 45 SER C C 45 173.927 174.601 -0.674 1
1 1 . 10 1 1 A 9 9 GLY CA C 9 45.457 45.014 0.443 1
1 2 . 10 1 1 A 9 9 GLY HA2 H 9 3.947 4.177 -0.230 1
1 3 . 10 1 1 A 10 10 GLU N N 10 120.021 124.295 -4.274 1
1 4 . 10 1 1 A 10 10 GLU H H 10 8.232 8.638 -0.406 1
1 5 . 10 1 1 A 10 10 GLU CA C 10 56.989 56.094 0.895 1
1 6 . 10 1 1 A 10 10 GLU HA H 10 4.186 4.402 -0.216 1
1 7 . 10 1 1 A 10 10 GLU CB C 10 30.382 29.524 0.858 1
1 13 . 10 1 1 A 11 11 LYS N N 11 121.247 127.454 -6.207 1
1 14 . 10 1 1 A 11 11 LYS H H 11 8.262 8.170 0.092 1
1 15 . 10 1 1 A 11 11 LYS CA C 11 53.662 54.953 -1.291 1
1 16 . 10 1 1 A 11 11 LYS HA H 11 4.556 4.319 0.237 1
1 17 . 10 1 1 A 11 11 LYS CB C 11 33.383 31.969 1.414 1
1 29 . 10 1 1 A 12 12 PRO CA C 12 63.504 64.558 -1.054 1
1 30 . 10 1 1 A 12 12 PRO HA H 12 4.297 4.397 -0.100 1
1 31 . 10 1 1 A 12 12 PRO CB C 12 32.319 31.661 0.658 1
1 37 . 10 1 1 A 12 12 PRO C C 12 176.573 175.834 0.739 1
1 41 . 10 1 1 A 13 13 TYR N N 13 119.490 117.948 1.542 1
1 42 . 10 1 1 A 13 13 TYR H H 13 7.903 7.988 -0.085 1
1 43 . 10 1 1 A 13 13 TYR CA C 13 57.922 56.996 0.926 1
1 44 . 10 1 1 A 13 13 TYR HA H 13 4.582 4.914 -0.332 1
1 45 . 10 1 1 A 13 13 TYR CB C 13 37.887 38.021 -0.134 1
1 55 . 10 1 1 A 13 13 TYR C C 13 174.376 174.745 -0.369 1
1 57 . 10 1 1 A 14 14 VAL N N 14 125.513 124.396 1.117 1
1 58 . 10 1 1 A 14 14 VAL H H 14 8.446 8.986 -0.540 1
1 59 . 10 1 1 A 14 14 VAL CA C 14 61.477 61.106 0.371 1
1 60 . 10 1 1 A 14 14 VAL HA H 14 4.552 5.004 -0.452 1
1 61 . 10 1 1 A 14 14 VAL CB C 14 34.386 34.194 0.192 1
1 71 . 10 1 1 A 14 14 VAL C C 14 175.372 175.771 -0.399 1
1 72 . 10 1 1 A 15 15 CYS N N 15 129.259 126.996 2.263 1
1 73 . 10 1 1 A 15 15 CYS H H 15 9.292 9.067 0.225 1
1 74 . 10 1 1 A 15 15 CYS CA C 15 60.158 60.243 -0.085 1
1 75 . 10 1 1 A 15 15 CYS HA H 15 4.513 4.511 0.002 1
1 76 . 10 1 1 A 15 15 CYS CB C 15 29.975 28.992 0.983 1
1 78 . 10 1 1 A 15 15 CYS C C 15 176.962 176.065 0.897 1
1 80 . 10 1 1 A 16 16 ASP N N 16 115.898 128.811 -12.913 1
1 81 . 10 1 1 A 16 16 ASP H H 16 9.396 9.195 0.201 1
1 82 . 10 1 1 A 16 16 ASP CA C 16 56.513 53.639 2.874 1
1 83 . 10 1 1 A 16 16 ASP HA H 16 4.402 4.895 -0.493 1
1 84 . 10 1 1 A 16 16 ASP CB C 16 40.801 40.854 -0.053 1
1 86 . 10 1 1 A 16 16 ASP C C 16 176.136 176.496 -0.360 1
1 88 . 10 1 1 A 17 17 TYR N N 17 119.369 119.326 0.043 1
1 89 . 10 1 1 A 17 17 TYR H H 17 8.841 7.949 0.892 1
1 90 . 10 1 1 A 17 17 TYR CA C 17 60.339 59.627 0.712 1
1 91 . 10 1 1 A 17 17 TYR HA H 17 4.242 4.709 -0.467 1
1 92 . 10 1 1 A 17 17 TYR CB C 17 37.705 40.086 -2.381 1
1 102 . 10 1 1 A 17 17 TYR C C 17 177.144 176.966 0.178 1
1 104 . 10 1 1 A 18 18 CYS N N 18 114.506 115.984 -1.478 1
1 105 . 10 1 1 A 18 18 CYS H H 18 7.999 7.812 0.187 1
1 106 . 10 1 1 A 18 18 CYS CA C 18 58.405 59.330 -0.925 1
1 107 . 10 1 1 A 18 18 CYS HA H 18 5.187 4.800 0.387 1
1 108 . 10 1 1 A 18 18 CYS CB C 18 32.949 30.373 2.576 1
1 110 . 10 1 1 A 18 18 CYS C C 18 176.258 175.456 0.802 1
1 112 . 10 1 1 A 19 19 GLY N N 19 113.706 109.776 3.930 1
1 113 . 10 1 1 A 19 19 GLY H H 19 8.288 8.410 -0.122 1
1 114 . 10 1 1 A 19 19 GLY CA C 19 46.197 45.334 0.863 1
1 115 . 10 1 1 A 19 19 GLY HA3 H 19 4.220 4.083 0.137 1
1 116 . 10 1 1 A 19 19 GLY C C 19 173.563 173.090 0.473 1
1 117 . 10 1 1 A 19 19 GLY HA2 H 19 3.750 4.074 -0.324 1
1 118 . 10 1 1 A 20 20 LYS N N 20 123.570 124.923 -1.353 1
1 119 . 10 1 1 A 20 20 LYS H H 20 8.091 8.324 -0.233 1
1 120 . 10 1 1 A 20 20 LYS CA C 20 58.371 55.262 3.109 1
1 121 . 10 1 1 A 20 20 LYS HA H 20 3.934 4.609 -0.675 1
1 122 . 10 1 1 A 20 20 LYS CB C 20 33.556 35.828 -2.272 1
1 130 . 10 1 1 A 20 20 LYS C C 20 173.490 173.620 -0.130 1
1 135 . 10 1 1 A 21 21 ALA N N 21 124.602 127.485 -2.883 1
1 136 . 10 1 1 A 21 21 ALA H H 21 7.707 8.575 -0.868 1
1 137 . 10 1 1 A 21 21 ALA CA C 21 50.258 51.623 -1.365 1
1 138 . 10 1 1 A 21 21 ALA HA H 21 5.182 4.422 0.760 1
1 139 . 10 1 1 A 21 21 ALA CB C 21 22.647 19.718 2.929 1
1 143 . 10 1 1 A 21 21 ALA C C 21 176.452 176.257 0.195 1
1 144 . 10 1 1 A 22 22 PHE N N 22 117.531 121.918 -4.387 1
1 145 . 10 1 1 A 22 22 PHE H H 22 8.993 8.689 0.304 1
1 146 . 10 1 1 A 22 22 PHE CA C 22 57.291 58.791 -1.500 1
1 147 . 10 1 1 A 22 22 PHE HA H 22 4.681 4.766 -0.085 1
1 148 . 10 1 1 A 22 22 PHE CB C 22 43.492 41.310 2.182 1
1 160 . 10 1 1 A 22 22 PHE C C 22 175.518 176.440 -0.922 1
1 162 . 10 1 1 A 23 23 GLY N N 23 108.429 108.526 -0.097 1
1 163 . 10 1 1 A 23 23 GLY H H 23 9.218 8.632 0.586 1
1 164 . 10 1 1 A 23 23 GLY CA C 23 46.310 45.616 0.694 1
1 165 . 10 1 1 A 23 23 GLY HA3 H 23 4.441 4.217 0.224 1
1 166 . 10 1 1 A 23 23 GLY C C 23 173.456 173.727 -0.271 1
1 167 . 10 1 1 A 23 23 GLY HA2 H 23 4.101 4.073 0.028 1
1 168 . 10 1 1 A 24 24 LEU N N 24 117.612 122.584 -4.972 1
1 169 . 10 1 1 A 24 24 LEU H H 24 7.590 7.898 -0.308 1
1 170 . 10 1 1 A 24 24 LEU CA C 24 53.046 53.223 -0.177 1
1 171 . 10 1 1 A 24 24 LEU HA H 24 4.876 4.323 0.553 1
1 172 . 10 1 1 A 24 24 LEU CB C 24 45.217 45.208 0.009 1
1 184 . 10 1 1 A 24 24 LEU C C 24 177.375 176.599 0.776 1
1 186 . 10 1 1 A 25 25 SER N N 25 121.264 121.640 -0.376 1
1 187 . 10 1 1 A 25 25 SER H H 25 8.392 8.376 0.016 1
1 188 . 10 1 1 A 25 25 SER CA C 25 61.134 61.303 -0.169 1
1 189 . 10 1 1 A 25 25 SER HA H 25 3.053 3.819 -0.766 1
1 190 . 10 1 1 A 25 25 SER CB C 25 61.763 62.291 -0.528 1
1 193 . 10 1 1 A 26 26 ALA N N 26 120.264 122.550 -2.286 1
1 194 . 10 1 1 A 26 26 ALA H H 26 8.540 8.040 0.500 1
1 195 . 10 1 1 A 26 26 ALA CA C 26 54.998 55.176 -0.178 1
1 196 . 10 1 1 A 26 26 ALA HA H 26 3.941 3.939 0.002 1
1 197 . 10 1 1 A 26 26 ALA CB C 26 18.632 18.349 0.283 1
1 201 . 10 1 1 A 26 26 ALA C C 26 180.701 179.995 0.706 1
1 202 . 10 1 1 A 27 27 GLU N N 27 114.495 118.015 -3.520 1
1 203 . 10 1 1 A 27 27 GLU H H 27 6.760 7.918 -1.158 1
1 204 . 10 1 1 A 27 27 GLU CA C 27 58.170 59.465 -1.295 1
1 205 . 10 1 1 A 27 27 GLU HA H 27 3.847 3.911 -0.064 1
1 206 . 10 1 1 A 27 27 GLU CB C 27 30.158 29.347 0.811 1
1 210 . 10 1 1 A 27 27 GLU C C 27 178.856 178.546 0.310 1
1 213 . 10 1 1 A 28 28 LEU N N 28 121.928 121.652 0.276 1
1 214 . 10 1 1 A 28 28 LEU H H 28 6.961 7.774 -0.813 1
1 215 . 10 1 1 A 28 28 LEU CA C 28 57.950 57.661 0.289 1
1 216 . 10 1 1 A 28 28 LEU HA H 28 3.347 2.655 0.692 1
1 217 . 10 1 1 A 28 28 LEU CB C 28 40.130 41.093 -0.963 1
1 229 . 10 1 1 A 28 28 LEU C C 28 177.702 178.208 -0.506 1
1 231 . 10 1 1 A 29 29 VAL N N 29 119.082 119.071 0.011 1
1 232 . 10 1 1 A 29 29 VAL H H 29 8.093 8.351 -0.258 1
1 233 . 10 1 1 A 29 29 VAL CA C 29 66.576 67.008 -0.432 1
1 234 . 10 1 1 A 29 29 VAL HA H 29 3.614 3.439 0.175 1
1 235 . 10 1 1 A 29 29 VAL CB C 29 31.696 31.418 0.278 1
1 245 . 10 1 1 A 29 29 VAL C C 29 178.880 177.852 1.028 1
1 246 . 10 1 1 A 30 30 ARG N N 30 117.780 118.770 -0.990 1
1 247 . 10 1 1 A 30 30 ARG H H 30 7.334 8.141 -0.807 1
1 248 . 10 1 1 A 30 30 ARG CA C 30 59.465 58.845 0.620 1
1 249 . 10 1 1 A 30 30 ARG HA H 30 3.919 4.085 -0.166 1
1 250 . 10 1 1 A 30 30 ARG CB C 30 30.372 30.237 0.135 1
1 255 . 10 1 1 A 30 30 ARG C C 30 178.976 178.245 0.731 1
1 259 . 10 1 1 A 31 31 HIS N N 31 118.952 121.494 -2.542 1
1 260 . 10 1 1 A 31 31 HIS H H 31 7.707 7.778 -0.071 1
1 261 . 10 1 1 A 31 31 HIS CA C 31 59.106 58.745 0.361 1
1 262 . 10 1 1 A 31 31 HIS HA H 31 4.197 4.155 0.042 1
1 263 . 10 1 1 A 31 31 HIS CB C 31 28.625 29.950 -1.325 1
1 269 . 10 1 1 A 31 31 HIS C C 31 176.294 177.041 -0.747 1
1 271 . 10 1 1 A 32 32 GLN N N 32 114.837 118.159 -3.322 1
1 272 . 10 1 1 A 32 32 GLN H H 32 8.512 8.704 -0.192 1
1 273 . 10 1 1 A 32 32 GLN CA C 32 59.527 59.354 0.173 1
1 274 . 10 1 1 A 32 32 GLN HA H 32 3.682 3.915 -0.233 1
1 275 . 10 1 1 A 32 32 GLN CB C 32 28.414 28.548 -0.134 1
1 282 . 10 1 1 A 32 32 GLN C C 32 177.046 178.722 -1.676 1
1 285 . 10 1 1 A 33 33 ARG N N 33 117.734 117.574 0.160 1
1 286 . 10 1 1 A 33 33 ARG H H 33 7.088 8.091 -1.003 1
1 287 . 10 1 1 A 33 33 ARG CA C 33 58.432 58.374 0.058 1
1 288 . 10 1 1 A 33 33 ARG HA H 33 4.115 4.176 -0.061 1
1 289 . 10 1 1 A 33 33 ARG CB C 33 30.016 29.374 0.642 1
1 294 . 10 1 1 A 33 33 ARG C C 33 178.394 177.190 1.204 1
1 298 . 10 1 1 A 34 34 ILE N N 34 115.478 116.312 -0.834 1
1 299 . 10 1 1 A 34 34 ILE H H 34 7.677 7.433 0.244 1
1 300 . 10 1 1 A 34 34 ILE CA C 34 63.060 63.975 -0.915 1
1 301 . 10 1 1 A 34 34 ILE HA H 34 3.947 3.668 0.279 1
1 302 . 10 1 1 A 34 34 ILE CB C 34 37.660 37.046 0.614 1
1 314 . 10 1 1 A 34 34 ILE C C 34 177.059 176.944 0.115 1
1 316 . 10 1 1 A 35 35 HIS N N 35 117.439 119.701 -2.262 1
1 317 . 10 1 1 A 35 35 HIS H H 35 7.180 7.744 -0.564 1
1 318 . 10 1 1 A 35 35 HIS CA C 35 54.820 56.091 -1.271 1
1 319 . 10 1 1 A 35 35 HIS HA H 35 4.666 4.344 0.322 1
1 320 . 10 1 1 A 35 35 HIS CB C 35 28.012 29.016 -1.004 1
1 326 . 10 1 1 A 35 35 HIS C C 35 175.578 174.370 1.208 1
1 328 . 10 1 1 A 36 36 THR N N 36 111.209 110.397 0.812 1
1 329 . 10 1 1 A 36 36 THR H H 36 7.590 7.095 0.495 1
1 330 . 10 1 1 A 36 36 THR CA C 36 62.494 59.913 2.581 1
1 331 . 10 1 1 A 36 36 THR HA H 36 4.246 4.718 -0.472 1
1 332 . 10 1 1 A 36 36 THR CB C 36 69.710 71.557 -1.847 1
1 338 . 10 1 1 A 36 36 THR C C 36 175.421 173.300 2.121 1
1 339 . 10 1 1 A 37 37 GLY N N 37 110.931 108.595 2.336 1
1 340 . 10 1 1 A 37 37 GLY H H 37 8.251 8.216 0.035 1
1 341 . 10 1 1 A 37 37 GLY CA C 37 45.328 45.439 -0.111 1
1 342 . 10 1 1 A 37 37 GLY HA3 H 37 4.007 4.094 -0.087 1
1 343 . 10 1 1 A 37 37 GLY HA2 H 37 3.933 4.090 -0.157 1
1 344 . 10 1 1 A 38 38 GLU N N 38 120.496 117.689 2.807 1
1 345 . 10 1 1 A 38 38 GLU H H 38 8.060 8.258 -0.198 1
1 346 . 10 1 1 A 38 38 GLU CA C 38 56.420 57.502 -1.082 1
1 347 . 10 1 1 A 38 38 GLU HA H 38 4.251 3.969 0.282 1
1 348 . 10 1 1 A 38 38 GLU CB C 38 30.580 28.506 2.074 1
1 354 . 10 1 1 A 39 39 LYS N N 39 123.793 118.849 4.944 1
1 355 . 10 1 1 A 39 39 LYS H H 39 8.427 7.761 0.666 1
1 356 . 10 1 1 A 39 39 LYS CA C 39 54.155 53.239 0.916 1
1 357 . 10 1 1 A 39 39 LYS HA H 39 4.574 4.813 -0.239 1
1 358 . 10 1 1 A 39 39 LYS CB C 39 32.536 33.297 -0.761 1
1 370 . 10 1 1 A 40 40 PRO CA C 40 63.229 62.669 0.560 1
1 371 . 10 1 1 A 40 40 PRO HA H 40 4.432 4.655 -0.223 1
1 372 . 10 1 1 A 40 40 PRO CB C 40 32.117 31.633 0.484 1
1 381 . 10 1 1 A 41 41 SER N N 41 116.420 119.990 -3.570 1
1 382 . 10 1 1 A 41 41 SER H H 41 8.435 8.769 -0.334 1
1 383 . 10 1 1 A 43 43 PRO CA C 43 63.289 64.332 -1.043 1
1 384 . 10 1 1 A 43 43 PRO HA H 43 4.477 4.430 0.047 1
1 385 . 10 1 1 A 43 43 PRO CB C 43 32.212 31.839 0.373 1
1 394 . 10 1 1 A 45 45 SER CA C 45 58.417 57.274 1.143 1
1 395 . 10 1 1 A 45 45 SER HA H 45 4.517 4.965 -0.448 1
1 396 . 10 1 1 A 45 45 SER CB C 45 63.947 67.168 -3.221 1
1 397 . 10 1 1 A 45 45 SER C C 45 173.927 173.463 0.464 1
1 1 . 11 1 1 A 9 9 GLY CA C 9 45.457 45.451 0.006 1
1 2 . 11 1 1 A 9 9 GLY HA2 H 9 3.947 4.160 -0.213 1
1 3 . 11 1 1 A 10 10 GLU N N 10 120.021 125.877 -5.856 1
1 4 . 11 1 1 A 10 10 GLU H H 10 8.232 8.902 -0.670 1
1 5 . 11 1 1 A 10 10 GLU CA C 10 56.989 56.110 0.879 1
1 6 . 11 1 1 A 10 10 GLU HA H 10 4.186 4.764 -0.578 1
1 7 . 11 1 1 A 10 10 GLU CB C 10 30.382 30.477 -0.095 1
1 13 . 11 1 1 A 11 11 LYS N N 11 121.247 125.733 -4.486 1
1 14 . 11 1 1 A 11 11 LYS H H 11 8.262 8.336 -0.074 1
1 15 . 11 1 1 A 11 11 LYS CA C 11 53.662 53.235 0.427 1
1 16 . 11 1 1 A 11 11 LYS HA H 11 4.556 4.760 -0.204 1
1 17 . 11 1 1 A 11 11 LYS CB C 11 33.383 33.792 -0.409 1
1 29 . 11 1 1 A 12 12 PRO CA C 12 63.504 64.716 -1.212 1
1 30 . 11 1 1 A 12 12 PRO HA H 12 4.297 4.300 -0.003 1
1 31 . 11 1 1 A 12 12 PRO CB C 12 32.319 31.679 0.640 1
1 37 . 11 1 1 A 12 12 PRO C C 12 176.573 175.762 0.811 1
1 41 . 11 1 1 A 13 13 TYR N N 13 119.490 117.546 1.944 1
1 42 . 11 1 1 A 13 13 TYR H H 13 7.903 7.397 0.506 1
1 43 . 11 1 1 A 13 13 TYR CA C 13 57.922 57.064 0.858 1
1 44 . 11 1 1 A 13 13 TYR HA H 13 4.582 4.830 -0.248 1
1 45 . 11 1 1 A 13 13 TYR CB C 13 37.887 37.961 -0.074 1
1 55 . 11 1 1 A 13 13 TYR C C 13 174.376 174.700 -0.324 1
1 57 . 11 1 1 A 14 14 VAL N N 14 125.513 124.087 1.426 1
1 58 . 11 1 1 A 14 14 VAL H H 14 8.446 9.024 -0.578 1
1 59 . 11 1 1 A 14 14 VAL CA C 14 61.477 59.564 1.913 1
1 60 . 11 1 1 A 14 14 VAL HA H 14 4.552 5.290 -0.738 1
1 61 . 11 1 1 A 14 14 VAL CB C 14 34.386 34.176 0.210 1
1 71 . 11 1 1 A 14 14 VAL C C 14 175.372 174.429 0.943 1
1 72 . 11 1 1 A 15 15 CYS N N 15 129.259 126.650 2.609 1
1 73 . 11 1 1 A 15 15 CYS H H 15 9.292 9.510 -0.218 1
1 74 . 11 1 1 A 15 15 CYS CA C 15 60.158 60.195 -0.037 1
1 75 . 11 1 1 A 15 15 CYS HA H 15 4.513 4.626 -0.113 1
1 76 . 11 1 1 A 15 15 CYS CB C 15 29.975 29.125 0.850 1
1 78 . 11 1 1 A 15 15 CYS C C 15 176.962 175.632 1.330 1
1 80 . 11 1 1 A 16 16 ASP N N 16 115.898 127.957 -12.059 1
1 81 . 11 1 1 A 16 16 ASP H H 16 9.396 9.097 0.299 1
1 82 . 11 1 1 A 16 16 ASP CA C 16 56.513 54.169 2.344 1
1 83 . 11 1 1 A 16 16 ASP HA H 16 4.402 4.929 -0.527 1
1 84 . 11 1 1 A 16 16 ASP CB C 16 40.801 41.263 -0.462 1
1 86 . 11 1 1 A 16 16 ASP C C 16 176.136 176.177 -0.041 1
1 88 . 11 1 1 A 17 17 TYR N N 17 119.369 119.935 -0.566 1
1 89 . 11 1 1 A 17 17 TYR H H 17 8.841 8.013 0.828 1
1 90 . 11 1 1 A 17 17 TYR CA C 17 60.339 60.071 0.268 1
1 91 . 11 1 1 A 17 17 TYR HA H 17 4.242 4.617 -0.375 1
1 92 . 11 1 1 A 17 17 TYR CB C 17 37.705 39.803 -2.098 1
1 102 . 11 1 1 A 17 17 TYR C C 17 177.144 176.881 0.263 1
1 104 . 11 1 1 A 18 18 CYS N N 18 114.506 115.993 -1.487 1
1 105 . 11 1 1 A 18 18 CYS H H 18 7.999 8.225 -0.226 1
1 106 . 11 1 1 A 18 18 CYS CA C 18 58.405 59.618 -1.213 1
1 107 . 11 1 1 A 18 18 CYS HA H 18 5.187 4.798 0.389 1
1 108 . 11 1 1 A 18 18 CYS CB C 18 32.949 30.111 2.838 1
1 110 . 11 1 1 A 18 18 CYS C C 18 176.258 175.493 0.765 1
1 112 . 11 1 1 A 19 19 GLY N N 19 113.706 110.031 3.675 1
1 113 . 11 1 1 A 19 19 GLY H H 19 8.288 8.200 0.088 1
1 114 . 11 1 1 A 19 19 GLY CA C 19 46.197 45.241 0.956 1
1 115 . 11 1 1 A 19 19 GLY HA3 H 19 4.220 4.104 0.116 1
1 116 . 11 1 1 A 19 19 GLY C C 19 173.563 174.069 -0.506 1
1 117 . 11 1 1 A 19 19 GLY HA2 H 19 3.750 4.092 -0.342 1
1 118 . 11 1 1 A 20 20 LYS N N 20 123.570 119.090 4.480 1
1 119 . 11 1 1 A 20 20 LYS H H 20 8.091 7.858 0.233 1
1 120 . 11 1 1 A 20 20 LYS CA C 20 58.371 54.089 4.282 1
1 121 . 11 1 1 A 20 20 LYS HA H 20 3.934 4.562 -0.628 1
1 122 . 11 1 1 A 20 20 LYS CB C 20 33.556 34.095 -0.539 1
1 130 . 11 1 1 A 20 20 LYS C C 20 173.490 175.157 -1.667 1
1 135 . 11 1 1 A 21 21 ALA N N 21 124.602 124.396 0.206 1
1 136 . 11 1 1 A 21 21 ALA H H 21 7.707 8.541 -0.834 1
1 137 . 11 1 1 A 21 21 ALA CA C 21 50.258 50.153 0.105 1
1 138 . 11 1 1 A 21 21 ALA HA H 21 5.182 5.318 -0.136 1
1 139 . 11 1 1 A 21 21 ALA CB C 21 22.647 22.122 0.525 1
1 143 . 11 1 1 A 21 21 ALA C C 21 176.452 175.912 0.540 1
1 144 . 11 1 1 A 22 22 PHE N N 22 117.531 117.243 0.288 1
1 145 . 11 1 1 A 22 22 PHE H H 22 8.993 8.807 0.186 1
1 146 . 11 1 1 A 22 22 PHE CA C 22 57.291 56.550 0.741 1
1 147 . 11 1 1 A 22 22 PHE HA H 22 4.681 4.939 -0.258 1
1 148 . 11 1 1 A 22 22 PHE CB C 22 43.492 42.304 1.188 1
1 160 . 11 1 1 A 22 22 PHE C C 22 175.518 176.571 -1.053 1
1 162 . 11 1 1 A 23 23 GLY N N 23 108.429 111.294 -2.865 1
1 163 . 11 1 1 A 23 23 GLY H H 23 9.218 8.882 0.336 1
1 164 . 11 1 1 A 23 23 GLY CA C 23 46.310 46.975 -0.665 1
1 165 . 11 1 1 A 23 23 GLY HA3 H 23 4.441 3.998 0.443 1
1 166 . 11 1 1 A 23 23 GLY C C 23 173.456 174.135 -0.679 1
1 167 . 11 1 1 A 23 23 GLY HA2 H 23 4.101 3.956 0.145 1
1 168 . 11 1 1 A 24 24 LEU N N 24 117.612 121.422 -3.810 1
1 169 . 11 1 1 A 24 24 LEU H H 24 7.590 7.857 -0.267 1
1 170 . 11 1 1 A 24 24 LEU CA C 24 53.046 53.033 0.013 1
1 171 . 11 1 1 A 24 24 LEU HA H 24 4.876 4.797 0.079 1
1 172 . 11 1 1 A 24 24 LEU CB C 24 45.217 44.491 0.726 1
1 184 . 11 1 1 A 24 24 LEU C C 24 177.375 176.921 0.454 1
1 186 . 11 1 1 A 25 25 SER N N 25 121.264 117.835 3.429 1
1 187 . 11 1 1 A 25 25 SER H H 25 8.392 8.640 -0.248 1
1 188 . 11 1 1 A 25 25 SER CA C 25 61.134 61.161 -0.027 1
1 189 . 11 1 1 A 25 25 SER HA H 25 3.053 3.529 -0.476 1
1 190 . 11 1 1 A 25 25 SER CB C 25 61.763 61.912 -0.149 1
1 193 . 11 1 1 A 26 26 ALA N N 26 120.264 122.447 -2.183 1
1 194 . 11 1 1 A 26 26 ALA H H 26 8.540 8.101 0.439 1
1 195 . 11 1 1 A 26 26 ALA CA C 26 54.998 55.154 -0.156 1
1 196 . 11 1 1 A 26 26 ALA HA H 26 3.941 3.899 0.042 1
1 197 . 11 1 1 A 26 26 ALA CB C 26 18.632 18.502 0.130 1
1 201 . 11 1 1 A 26 26 ALA C C 26 180.701 180.171 0.530 1
1 202 . 11 1 1 A 27 27 GLU N N 27 114.495 118.303 -3.808 1
1 203 . 11 1 1 A 27 27 GLU H H 27 6.760 8.023 -1.263 1
1 204 . 11 1 1 A 27 27 GLU CA C 27 58.170 59.355 -1.185 1
1 205 . 11 1 1 A 27 27 GLU HA H 27 3.847 3.943 -0.096 1
1 206 . 11 1 1 A 27 27 GLU CB C 27 30.158 29.255 0.903 1
1 210 . 11 1 1 A 27 27 GLU C C 27 178.856 178.517 0.339 1
1 213 . 11 1 1 A 28 28 LEU N N 28 121.928 121.587 0.341 1
1 214 . 11 1 1 A 28 28 LEU H H 28 6.961 7.609 -0.648 1
1 215 . 11 1 1 A 28 28 LEU CA C 28 57.950 57.298 0.652 1
1 216 . 11 1 1 A 28 28 LEU HA H 28 3.347 2.699 0.648 1
1 217 . 11 1 1 A 28 28 LEU CB C 28 40.130 41.577 -1.447 1
1 229 . 11 1 1 A 28 28 LEU C C 28 177.702 178.385 -0.683 1
1 231 . 11 1 1 A 29 29 VAL N N 29 119.082 119.392 -0.310 1
1 232 . 11 1 1 A 29 29 VAL H H 29 8.093 7.704 0.389 1
1 233 . 11 1 1 A 29 29 VAL CA C 29 66.576 66.917 -0.341 1
1 234 . 11 1 1 A 29 29 VAL HA H 29 3.614 3.418 0.196 1
1 235 . 11 1 1 A 29 29 VAL CB C 29 31.696 31.262 0.434 1
1 245 . 11 1 1 A 29 29 VAL C C 29 178.880 178.135 0.745 1
1 246 . 11 1 1 A 30 30 ARG N N 30 117.780 119.544 -1.764 1
1 247 . 11 1 1 A 30 30 ARG H H 30 7.334 8.510 -1.176 1
1 248 . 11 1 1 A 30 30 ARG CA C 30 59.465 58.297 1.168 1
1 249 . 11 1 1 A 30 30 ARG HA H 30 3.919 4.070 -0.151 1
1 250 . 11 1 1 A 30 30 ARG CB C 30 30.372 29.372 1.000 1
1 255 . 11 1 1 A 30 30 ARG C C 30 178.976 178.192 0.784 1
1 259 . 11 1 1 A 31 31 HIS N N 31 118.952 120.040 -1.088 1
1 260 . 11 1 1 A 31 31 HIS H H 31 7.707 8.127 -0.420 1
1 261 . 11 1 1 A 31 31 HIS CA C 31 59.106 59.296 -0.190 1
1 262 . 11 1 1 A 31 31 HIS HA H 31 4.197 4.116 0.081 1
1 263 . 11 1 1 A 31 31 HIS CB C 31 28.625 29.710 -1.085 1
1 269 . 11 1 1 A 31 31 HIS C C 31 176.294 177.415 -1.121 1
1 271 . 11 1 1 A 32 32 GLN N N 32 114.837 117.473 -2.636 1
1 272 . 11 1 1 A 32 32 GLN H H 32 8.512 8.401 0.111 1
1 273 . 11 1 1 A 32 32 GLN CA C 32 59.527 58.746 0.781 1
1 274 . 11 1 1 A 32 32 GLN HA H 32 3.682 3.724 -0.042 1
1 275 . 11 1 1 A 32 32 GLN CB C 32 28.414 28.279 0.135 1
1 282 . 11 1 1 A 32 32 GLN C C 32 177.046 178.537 -1.491 1
1 285 . 11 1 1 A 33 33 ARG N N 33 117.734 119.830 -2.096 1
1 286 . 11 1 1 A 33 33 ARG H H 33 7.088 8.076 -0.988 1
1 287 . 11 1 1 A 33 33 ARG CA C 33 58.432 58.896 -0.464 1
1 288 . 11 1 1 A 33 33 ARG HA H 33 4.115 4.061 0.054 1
1 289 . 11 1 1 A 33 33 ARG CB C 33 30.016 29.749 0.267 1
1 294 . 11 1 1 A 33 33 ARG C C 33 178.394 178.830 -0.436 1
1 298 . 11 1 1 A 34 34 ILE N N 34 115.478 117.012 -1.534 1
1 299 . 11 1 1 A 34 34 ILE H H 34 7.677 7.678 -0.001 1
1 300 . 11 1 1 A 34 34 ILE CA C 34 63.060 63.324 -0.264 1
1 301 . 11 1 1 A 34 34 ILE HA H 34 3.947 3.750 0.197 1
1 302 . 11 1 1 A 34 34 ILE CB C 34 37.660 37.124 0.536 1
1 314 . 11 1 1 A 34 34 ILE C C 34 177.059 176.542 0.517 1
1 316 . 11 1 1 A 35 35 HIS N N 35 117.439 119.323 -1.884 1
1 317 . 11 1 1 A 35 35 HIS H H 35 7.180 7.639 -0.459 1
1 318 . 11 1 1 A 35 35 HIS CA C 35 54.820 57.450 -2.630 1
1 319 . 11 1 1 A 35 35 HIS HA H 35 4.666 4.132 0.534 1
1 320 . 11 1 1 A 35 35 HIS CB C 35 28.012 30.140 -2.128 1
1 326 . 11 1 1 A 35 35 HIS C C 35 175.578 175.561 0.017 1
1 328 . 11 1 1 A 36 36 THR N N 36 111.209 107.284 3.925 1
1 329 . 11 1 1 A 36 36 THR H H 36 7.590 7.584 0.006 1
1 330 . 11 1 1 A 36 36 THR CA C 36 62.494 60.511 1.983 1
1 331 . 11 1 1 A 36 36 THR HA H 36 4.246 4.501 -0.255 1
1 332 . 11 1 1 A 36 36 THR CB C 36 69.710 69.492 0.218 1
1 338 . 11 1 1 A 36 36 THR C C 36 175.421 173.745 1.676 1
1 339 . 11 1 1 A 37 37 GLY N N 37 110.931 111.419 -0.488 1
1 340 . 11 1 1 A 37 37 GLY H H 37 8.251 8.407 -0.156 1
1 341 . 11 1 1 A 37 37 GLY CA C 37 45.328 45.540 -0.212 1
1 342 . 11 1 1 A 37 37 GLY HA3 H 37 4.007 4.172 -0.165 1
1 343 . 11 1 1 A 37 37 GLY HA2 H 37 3.933 4.155 -0.222 1
1 344 . 11 1 1 A 38 38 GLU N N 38 120.496 122.253 -1.757 1
1 345 . 11 1 1 A 38 38 GLU H H 38 8.060 8.663 -0.603 1
1 346 . 11 1 1 A 38 38 GLU CA C 38 56.420 57.537 -1.117 1
1 347 . 11 1 1 A 38 38 GLU HA H 38 4.251 4.307 -0.056 1
1 348 . 11 1 1 A 38 38 GLU CB C 38 30.580 31.114 -0.534 1
1 354 . 11 1 1 A 39 39 LYS N N 39 123.793 115.358 8.435 1
1 355 . 11 1 1 A 39 39 LYS H H 39 8.427 7.385 1.042 1
1 356 . 11 1 1 A 39 39 LYS CA C 39 54.155 53.467 0.688 1
1 357 . 11 1 1 A 39 39 LYS HA H 39 4.574 4.876 -0.302 1
1 358 . 11 1 1 A 39 39 LYS CB C 39 32.536 34.370 -1.834 1
1 370 . 11 1 1 A 40 40 PRO CA C 40 63.229 64.339 -1.110 1
1 371 . 11 1 1 A 40 40 PRO HA H 40 4.432 4.433 -0.001 1
1 372 . 11 1 1 A 40 40 PRO CB C 40 32.117 31.827 0.290 1
1 381 . 11 1 1 A 41 41 SER N N 41 116.420 115.584 0.836 1
1 382 . 11 1 1 A 41 41 SER H H 41 8.435 8.041 0.394 1
1 383 . 11 1 1 A 43 43 PRO CA C 43 63.289 64.243 -0.954 1
1 384 . 11 1 1 A 43 43 PRO HA H 43 4.477 4.528 -0.051 1
1 385 . 11 1 1 A 43 43 PRO CB C 43 32.212 31.873 0.339 1
1 394 . 11 1 1 A 45 45 SER CA C 45 58.417 59.686 -1.269 1
1 395 . 11 1 1 A 45 45 SER HA H 45 4.517 4.155 0.362 1
1 396 . 11 1 1 A 45 45 SER CB C 45 63.947 61.504 2.443 1
1 397 . 11 1 1 A 45 45 SER C C 45 173.927 173.524 0.403 1
1 1 . 12 1 1 A 9 9 GLY CA C 9 45.457 46.236 -0.779 1
1 2 . 12 1 1 A 9 9 GLY HA2 H 9 3.947 4.066 -0.119 1
1 3 . 12 1 1 A 10 10 GLU N N 10 120.021 119.828 0.193 1
1 4 . 12 1 1 A 10 10 GLU H H 10 8.232 7.959 0.273 1
1 5 . 12 1 1 A 10 10 GLU CA C 10 56.989 54.664 2.325 1
1 6 . 12 1 1 A 10 10 GLU HA H 10 4.186 4.798 -0.612 1
1 7 . 12 1 1 A 10 10 GLU CB C 10 30.382 33.629 -3.247 1
1 13 . 12 1 1 A 11 11 LYS N N 11 121.247 123.965 -2.718 1
1 14 . 12 1 1 A 11 11 LYS H H 11 8.262 8.757 -0.495 1
1 15 . 12 1 1 A 11 11 LYS CA C 11 53.662 53.859 -0.197 1
1 16 . 12 1 1 A 11 11 LYS HA H 11 4.556 4.609 -0.053 1
1 17 . 12 1 1 A 11 11 LYS CB C 11 33.383 32.021 1.362 1
1 29 . 12 1 1 A 12 12 PRO CA C 12 63.504 64.967 -1.463 1
1 30 . 12 1 1 A 12 12 PRO HA H 12 4.297 4.306 -0.009 1
1 31 . 12 1 1 A 12 12 PRO CB C 12 32.319 31.629 0.690 1
1 37 . 12 1 1 A 12 12 PRO C C 12 176.573 175.938 0.635 1
1 41 . 12 1 1 A 13 13 TYR N N 13 119.490 117.868 1.622 1
1 42 . 12 1 1 A 13 13 TYR H H 13 7.903 7.856 0.047 1
1 43 . 12 1 1 A 13 13 TYR CA C 13 57.922 57.829 0.093 1
1 44 . 12 1 1 A 13 13 TYR HA H 13 4.582 4.701 -0.119 1
1 45 . 12 1 1 A 13 13 TYR CB C 13 37.887 37.973 -0.086 1
1 55 . 12 1 1 A 13 13 TYR C C 13 174.376 175.632 -1.256 1
1 57 . 12 1 1 A 14 14 VAL N N 14 125.513 124.025 1.488 1
1 58 . 12 1 1 A 14 14 VAL H H 14 8.446 8.927 -0.481 1
1 59 . 12 1 1 A 14 14 VAL CA C 14 61.477 61.333 0.144 1
1 60 . 12 1 1 A 14 14 VAL HA H 14 4.552 5.103 -0.551 1
1 61 . 12 1 1 A 14 14 VAL CB C 14 34.386 33.532 0.854 1
1 71 . 12 1 1 A 14 14 VAL C C 14 175.372 175.996 -0.624 1
1 72 . 12 1 1 A 15 15 CYS N N 15 129.259 128.060 1.199 1
1 73 . 12 1 1 A 15 15 CYS H H 15 9.292 8.581 0.711 1
1 74 . 12 1 1 A 15 15 CYS CA C 15 60.158 60.229 -0.071 1
1 75 . 12 1 1 A 15 15 CYS HA H 15 4.513 4.567 -0.054 1
1 76 . 12 1 1 A 15 15 CYS CB C 15 29.975 29.337 0.638 1
1 78 . 12 1 1 A 15 15 CYS C C 15 176.962 175.480 1.482 1
1 80 . 12 1 1 A 16 16 ASP N N 16 115.898 128.298 -12.400 1
1 81 . 12 1 1 A 16 16 ASP H H 16 9.396 8.976 0.420 1
1 82 . 12 1 1 A 16 16 ASP CA C 16 56.513 56.308 0.205 1
1 83 . 12 1 1 A 16 16 ASP HA H 16 4.402 4.527 -0.125 1
1 84 . 12 1 1 A 16 16 ASP CB C 16 40.801 40.393 0.408 1
1 86 . 12 1 1 A 16 16 ASP C C 16 176.136 177.589 -1.453 1
1 88 . 12 1 1 A 17 17 TYR N N 17 119.369 122.002 -2.633 1
1 89 . 12 1 1 A 17 17 TYR H H 17 8.841 8.023 0.818 1
1 90 . 12 1 1 A 17 17 TYR CA C 17 60.339 61.529 -1.190 1
1 91 . 12 1 1 A 17 17 TYR HA H 17 4.242 4.055 0.187 1
1 92 . 12 1 1 A 17 17 TYR CB C 17 37.705 38.604 -0.899 1
1 102 . 12 1 1 A 17 17 TYR C C 17 177.144 177.909 -0.765 1
1 104 . 12 1 1 A 18 18 CYS N N 18 114.506 115.204 -0.698 1
1 105 . 12 1 1 A 18 18 CYS H H 18 7.999 8.022 -0.023 1
1 106 . 12 1 1 A 18 18 CYS CA C 18 58.405 59.542 -1.137 1
1 107 . 12 1 1 A 18 18 CYS HA H 18 5.187 4.658 0.529 1
1 108 . 12 1 1 A 18 18 CYS CB C 18 32.949 30.104 2.845 1
1 110 . 12 1 1 A 18 18 CYS C C 18 176.258 175.498 0.760 1
1 112 . 12 1 1 A 19 19 GLY N N 19 113.706 110.346 3.360 1
1 113 . 12 1 1 A 19 19 GLY H H 19 8.288 8.289 -0.001 1
1 114 . 12 1 1 A 19 19 GLY CA C 19 46.197 45.517 0.680 1
1 115 . 12 1 1 A 19 19 GLY HA3 H 19 4.220 4.045 0.175 1
1 116 . 12 1 1 A 19 19 GLY C C 19 173.563 174.295 -0.732 1
1 117 . 12 1 1 A 19 19 GLY HA2 H 19 3.750 4.029 -0.279 1
1 118 . 12 1 1 A 20 20 LYS N N 20 123.570 118.936 4.634 1
1 119 . 12 1 1 A 20 20 LYS H H 20 8.091 7.935 0.156 1
1 120 . 12 1 1 A 20 20 LYS CA C 20 58.371 54.970 3.401 1
1 121 . 12 1 1 A 20 20 LYS HA H 20 3.934 4.519 -0.585 1
1 122 . 12 1 1 A 20 20 LYS CB C 20 33.556 34.123 -0.567 1
1 130 . 12 1 1 A 20 20 LYS C C 20 173.490 175.307 -1.817 1
1 135 . 12 1 1 A 21 21 ALA N N 21 124.602 120.225 4.377 1
1 136 . 12 1 1 A 21 21 ALA H H 21 7.707 8.003 -0.296 1
1 137 . 12 1 1 A 21 21 ALA CA C 21 50.258 49.673 0.585 1
1 138 . 12 1 1 A 21 21 ALA HA H 21 5.182 5.415 -0.233 1
1 139 . 12 1 1 A 21 21 ALA CB C 21 22.647 22.974 -0.327 1
1 143 . 12 1 1 A 21 21 ALA C C 21 176.452 175.131 1.321 1
1 144 . 12 1 1 A 22 22 PHE N N 22 117.531 116.273 1.258 1
1 145 . 12 1 1 A 22 22 PHE H H 22 8.993 8.497 0.496 1
1 146 . 12 1 1 A 22 22 PHE CA C 22 57.291 56.713 0.578 1
1 147 . 12 1 1 A 22 22 PHE HA H 22 4.681 4.839 -0.158 1
1 148 . 12 1 1 A 22 22 PHE CB C 22 43.492 42.770 0.722 1
1 160 . 12 1 1 A 22 22 PHE C C 22 175.518 176.098 -0.580 1
1 162 . 12 1 1 A 23 23 GLY N N 23 108.429 111.035 -2.606 1
1 163 . 12 1 1 A 23 23 GLY H H 23 9.218 8.963 0.255 1
1 164 . 12 1 1 A 23 23 GLY CA C 23 46.310 47.167 -0.857 1
1 165 . 12 1 1 A 23 23 GLY HA3 H 23 4.441 4.000 0.441 1
1 166 . 12 1 1 A 23 23 GLY C C 23 173.456 174.364 -0.908 1
1 167 . 12 1 1 A 23 23 GLY HA2 H 23 4.101 3.929 0.172 1
1 168 . 12 1 1 A 24 24 LEU N N 24 117.612 121.285 -3.673 1
1 169 . 12 1 1 A 24 24 LEU H H 24 7.590 7.273 0.317 1
1 170 . 12 1 1 A 24 24 LEU CA C 24 53.046 53.986 -0.940 1
1 171 . 12 1 1 A 24 24 LEU HA H 24 4.876 4.539 0.337 1
1 172 . 12 1 1 A 24 24 LEU CB C 24 45.217 43.516 1.701 1
1 184 . 12 1 1 A 24 24 LEU C C 24 177.375 176.519 0.856 1
1 186 . 12 1 1 A 25 25 SER N N 25 121.264 120.858 0.406 1
1 187 . 12 1 1 A 25 25 SER H H 25 8.392 8.567 -0.175 1
1 188 . 12 1 1 A 25 25 SER CA C 25 61.134 61.024 0.110 1
1 189 . 12 1 1 A 25 25 SER HA H 25 3.053 2.714 0.339 1
1 190 . 12 1 1 A 25 25 SER CB C 25 61.763 62.928 -1.165 1
1 193 . 12 1 1 A 26 26 ALA N N 26 120.264 122.265 -2.001 1
1 194 . 12 1 1 A 26 26 ALA H H 26 8.540 8.103 0.437 1
1 195 . 12 1 1 A 26 26 ALA CA C 26 54.998 55.330 -0.332 1
1 196 . 12 1 1 A 26 26 ALA HA H 26 3.941 3.946 -0.005 1
1 197 . 12 1 1 A 26 26 ALA CB C 26 18.632 18.492 0.140 1
1 201 . 12 1 1 A 26 26 ALA C C 26 180.701 180.171 0.530 1
1 202 . 12 1 1 A 27 27 GLU N N 27 114.495 118.409 -3.914 1
1 203 . 12 1 1 A 27 27 GLU H H 27 6.760 8.025 -1.265 1
1 204 . 12 1 1 A 27 27 GLU CA C 27 58.170 59.243 -1.073 1
1 205 . 12 1 1 A 27 27 GLU HA H 27 3.847 3.801 0.046 1
1 206 . 12 1 1 A 27 27 GLU CB C 27 30.158 29.285 0.873 1
1 210 . 12 1 1 A 27 27 GLU C C 27 178.856 178.763 0.093 1
1 213 . 12 1 1 A 28 28 LEU N N 28 121.928 121.738 0.190 1
1 214 . 12 1 1 A 28 28 LEU H H 28 6.961 7.688 -0.727 1
1 215 . 12 1 1 A 28 28 LEU CA C 28 57.950 57.906 0.044 1
1 216 . 12 1 1 A 28 28 LEU HA H 28 3.347 3.433 -0.086 1
1 217 . 12 1 1 A 28 28 LEU CB C 28 40.130 41.502 -1.372 1
1 229 . 12 1 1 A 28 28 LEU C C 28 177.702 178.413 -0.711 1
1 231 . 12 1 1 A 29 29 VAL N N 29 119.082 119.378 -0.296 1
1 232 . 12 1 1 A 29 29 VAL H H 29 8.093 7.834 0.259 1
1 233 . 12 1 1 A 29 29 VAL CA C 29 66.576 66.693 -0.117 1
1 234 . 12 1 1 A 29 29 VAL HA H 29 3.614 3.656 -0.042 1
1 235 . 12 1 1 A 29 29 VAL CB C 29 31.696 31.161 0.535 1
1 245 . 12 1 1 A 29 29 VAL C C 29 178.880 178.306 0.574 1
1 246 . 12 1 1 A 30 30 ARG N N 30 117.780 119.861 -2.081 1
1 247 . 12 1 1 A 30 30 ARG H H 30 7.334 8.194 -0.860 1
1 248 . 12 1 1 A 30 30 ARG CA C 30 59.465 58.755 0.710 1
1 249 . 12 1 1 A 30 30 ARG HA H 30 3.919 3.964 -0.045 1
1 250 . 12 1 1 A 30 30 ARG CB C 30 30.372 29.659 0.713 1
1 255 . 12 1 1 A 30 30 ARG C C 30 178.976 178.493 0.483 1
1 259 . 12 1 1 A 31 31 HIS N N 31 118.952 119.487 -0.535 1
1 260 . 12 1 1 A 31 31 HIS H H 31 7.707 8.237 -0.530 1
1 261 . 12 1 1 A 31 31 HIS CA C 31 59.106 59.329 -0.223 1
1 262 . 12 1 1 A 31 31 HIS HA H 31 4.197 4.074 0.123 1
1 263 . 12 1 1 A 31 31 HIS CB C 31 28.625 29.595 -0.970 1
1 269 . 12 1 1 A 31 31 HIS C C 31 176.294 176.867 -0.573 1
1 271 . 12 1 1 A 32 32 GLN N N 32 114.837 117.270 -2.433 1
1 272 . 12 1 1 A 32 32 GLN H H 32 8.512 8.481 0.031 1
1 273 . 12 1 1 A 32 32 GLN CA C 32 59.527 59.122 0.405 1
1 274 . 12 1 1 A 32 32 GLN HA H 32 3.682 3.556 0.126 1
1 275 . 12 1 1 A 32 32 GLN CB C 32 28.414 28.314 0.100 1
1 282 . 12 1 1 A 32 32 GLN C C 32 177.046 178.319 -1.273 1
1 285 . 12 1 1 A 33 33 ARG N N 33 117.734 119.849 -2.115 1
1 286 . 12 1 1 A 33 33 ARG H H 33 7.088 8.013 -0.925 1
1 287 . 12 1 1 A 33 33 ARG CA C 33 58.432 58.741 -0.309 1
1 288 . 12 1 1 A 33 33 ARG HA H 33 4.115 4.070 0.045 1
1 289 . 12 1 1 A 33 33 ARG CB C 33 30.016 29.827 0.189 1
1 294 . 12 1 1 A 33 33 ARG C C 33 178.394 178.815 -0.421 1
1 298 . 12 1 1 A 34 34 ILE N N 34 115.478 117.511 -2.033 1
1 299 . 12 1 1 A 34 34 ILE H H 34 7.677 7.806 -0.129 1
1 300 . 12 1 1 A 34 34 ILE CA C 34 63.060 63.605 -0.545 1
1 301 . 12 1 1 A 34 34 ILE HA H 34 3.947 3.677 0.270 1
1 302 . 12 1 1 A 34 34 ILE CB C 34 37.660 37.243 0.417 1
1 314 . 12 1 1 A 34 34 ILE C C 34 177.059 176.970 0.089 1
1 316 . 12 1 1 A 35 35 HIS N N 35 117.439 119.899 -2.460 1
1 317 . 12 1 1 A 35 35 HIS H H 35 7.180 7.586 -0.406 1
1 318 . 12 1 1 A 35 35 HIS CA C 35 54.820 58.443 -3.623 1
1 319 . 12 1 1 A 35 35 HIS HA H 35 4.666 4.161 0.505 1
1 320 . 12 1 1 A 35 35 HIS CB C 35 28.012 29.794 -1.782 1
1 326 . 12 1 1 A 35 35 HIS C C 35 175.578 176.442 -0.864 1
1 328 . 12 1 1 A 36 36 THR N N 36 111.209 108.756 2.453 1
1 329 . 12 1 1 A 36 36 THR H H 36 7.590 8.062 -0.472 1
1 330 . 12 1 1 A 36 36 THR CA C 36 62.494 62.948 -0.454 1
1 331 . 12 1 1 A 36 36 THR HA H 36 4.246 4.272 -0.026 1
1 332 . 12 1 1 A 36 36 THR CB C 36 69.710 69.655 0.055 1
1 338 . 12 1 1 A 36 36 THR C C 36 175.421 174.526 0.895 1
1 339 . 12 1 1 A 37 37 GLY N N 37 110.931 110.025 0.906 1
1 340 . 12 1 1 A 37 37 GLY H H 37 8.251 7.878 0.373 1
1 341 . 12 1 1 A 37 37 GLY CA C 37 45.328 44.952 0.376 1
1 342 . 12 1 1 A 37 37 GLY HA3 H 37 4.007 3.938 0.069 1
1 343 . 12 1 1 A 37 37 GLY HA2 H 37 3.933 3.931 0.002 1
1 344 . 12 1 1 A 38 38 GLU N N 38 120.496 120.933 -0.437 1
1 345 . 12 1 1 A 38 38 GLU H H 38 8.060 8.536 -0.476 1
1 346 . 12 1 1 A 38 38 GLU CA C 38 56.420 55.897 0.523 1
1 347 . 12 1 1 A 38 38 GLU HA H 38 4.251 4.552 -0.301 1
1 348 . 12 1 1 A 38 38 GLU CB C 38 30.580 28.845 1.735 1
1 354 . 12 1 1 A 39 39 LYS N N 39 123.793 124.287 -0.494 1
1 355 . 12 1 1 A 39 39 LYS H H 39 8.427 7.713 0.714 1
1 356 . 12 1 1 A 39 39 LYS CA C 39 54.155 52.642 1.513 1
1 357 . 12 1 1 A 39 39 LYS HA H 39 4.574 4.884 -0.310 1
1 358 . 12 1 1 A 39 39 LYS CB C 39 32.536 36.399 -3.863 1
1 370 . 12 1 1 A 40 40 PRO CA C 40 63.229 64.332 -1.103 1
1 371 . 12 1 1 A 40 40 PRO HA H 40 4.432 4.443 -0.011 1
1 372 . 12 1 1 A 40 40 PRO CB C 40 32.117 31.755 0.362 1
1 381 . 12 1 1 A 41 41 SER N N 41 116.420 112.669 3.751 1
1 382 . 12 1 1 A 41 41 SER H H 41 8.435 8.628 -0.193 1
1 383 . 12 1 1 A 43 43 PRO CA C 43 63.289 62.533 0.756 1
1 384 . 12 1 1 A 43 43 PRO HA H 43 4.477 4.742 -0.265 1
1 385 . 12 1 1 A 43 43 PRO CB C 43 32.212 30.922 1.290 1
1 394 . 12 1 1 A 45 45 SER CA C 45 58.417 56.322 2.095 1
1 395 . 12 1 1 A 45 45 SER HA H 45 4.517 5.155 -0.638 1
1 396 . 12 1 1 A 45 45 SER CB C 45 63.947 66.208 -2.261 1
1 397 . 12 1 1 A 45 45 SER C C 45 173.927 173.628 0.299 1
1 1 . 13 1 1 A 9 9 GLY CA C 9 45.457 46.800 -1.343 1
1 2 . 13 1 1 A 9 9 GLY HA2 H 9 3.947 3.934 0.013 1
1 3 . 13 1 1 A 10 10 GLU N N 10 120.021 119.516 0.505 1
1 4 . 13 1 1 A 10 10 GLU H H 10 8.232 7.877 0.355 1
1 5 . 13 1 1 A 10 10 GLU CA C 10 56.989 57.491 -0.502 1
1 6 . 13 1 1 A 10 10 GLU HA H 10 4.186 4.203 -0.017 1
1 7 . 13 1 1 A 10 10 GLU CB C 10 30.382 30.213 0.169 1
1 13 . 13 1 1 A 11 11 LYS N N 11 121.247 123.873 -2.626 1
1 14 . 13 1 1 A 11 11 LYS H H 11 8.262 8.427 -0.165 1
1 15 . 13 1 1 A 11 11 LYS CA C 11 53.662 55.202 -1.540 1
1 16 . 13 1 1 A 11 11 LYS HA H 11 4.556 4.267 0.289 1
1 17 . 13 1 1 A 11 11 LYS CB C 11 33.383 32.153 1.230 1
1 29 . 13 1 1 A 12 12 PRO CA C 12 63.504 65.024 -1.520 1
1 30 . 13 1 1 A 12 12 PRO HA H 12 4.297 4.287 0.010 1
1 31 . 13 1 1 A 12 12 PRO CB C 12 32.319 31.832 0.487 1
1 37 . 13 1 1 A 12 12 PRO C C 12 176.573 175.896 0.677 1
1 41 . 13 1 1 A 13 13 TYR N N 13 119.490 117.878 1.612 1
1 42 . 13 1 1 A 13 13 TYR H H 13 7.903 7.489 0.414 1
1 43 . 13 1 1 A 13 13 TYR CA C 13 57.922 57.537 0.385 1
1 44 . 13 1 1 A 13 13 TYR HA H 13 4.582 4.924 -0.342 1
1 45 . 13 1 1 A 13 13 TYR CB C 13 37.887 39.284 -1.397 1
1 55 . 13 1 1 A 13 13 TYR C C 13 174.376 175.875 -1.499 1
1 57 . 13 1 1 A 14 14 VAL N N 14 125.513 123.083 2.430 1
1 58 . 13 1 1 A 14 14 VAL H H 14 8.446 9.140 -0.694 1
1 59 . 13 1 1 A 14 14 VAL CA C 14 61.477 60.794 0.683 1
1 60 . 13 1 1 A 14 14 VAL HA H 14 4.552 5.080 -0.528 1
1 61 . 13 1 1 A 14 14 VAL CB C 14 34.386 34.941 -0.555 1
1 71 . 13 1 1 A 14 14 VAL C C 14 175.372 175.615 -0.243 1
1 72 . 13 1 1 A 15 15 CYS N N 15 129.259 127.488 1.771 1
1 73 . 13 1 1 A 15 15 CYS H H 15 9.292 8.939 0.353 1
1 74 . 13 1 1 A 15 15 CYS CA C 15 60.158 59.980 0.178 1
1 75 . 13 1 1 A 15 15 CYS HA H 15 4.513 4.638 -0.125 1
1 76 . 13 1 1 A 15 15 CYS CB C 15 29.975 28.785 1.190 1
1 78 . 13 1 1 A 15 15 CYS C C 15 176.962 175.498 1.464 1
1 80 . 13 1 1 A 16 16 ASP N N 16 115.898 127.932 -12.034 1
1 81 . 13 1 1 A 16 16 ASP H H 16 9.396 8.980 0.416 1
1 82 . 13 1 1 A 16 16 ASP CA C 16 56.513 53.973 2.540 1
1 83 . 13 1 1 A 16 16 ASP HA H 16 4.402 4.815 -0.413 1
1 84 . 13 1 1 A 16 16 ASP CB C 16 40.801 40.192 0.609 1
1 86 . 13 1 1 A 16 16 ASP C C 16 176.136 176.083 0.053 1
1 88 . 13 1 1 A 17 17 TYR N N 17 119.369 119.303 0.066 1
1 89 . 13 1 1 A 17 17 TYR H H 17 8.841 8.470 0.371 1
1 90 . 13 1 1 A 17 17 TYR CA C 17 60.339 59.486 0.853 1
1 91 . 13 1 1 A 17 17 TYR HA H 17 4.242 4.745 -0.503 1
1 92 . 13 1 1 A 17 17 TYR CB C 17 37.705 40.511 -2.806 1
1 102 . 13 1 1 A 17 17 TYR C C 17 177.144 176.792 0.352 1
1 104 . 13 1 1 A 18 18 CYS N N 18 114.506 115.954 -1.448 1
1 105 . 13 1 1 A 18 18 CYS H H 18 7.999 8.253 -0.254 1
1 106 . 13 1 1 A 18 18 CYS CA C 18 58.405 59.556 -1.151 1
1 107 . 13 1 1 A 18 18 CYS HA H 18 5.187 4.775 0.412 1
1 108 . 13 1 1 A 18 18 CYS CB C 18 32.949 30.170 2.779 1
1 110 . 13 1 1 A 18 18 CYS C C 18 176.258 175.437 0.821 1
1 112 . 13 1 1 A 19 19 GLY N N 19 113.706 110.215 3.491 1
1 113 . 13 1 1 A 19 19 GLY H H 19 8.288 8.129 0.159 1
1 114 . 13 1 1 A 19 19 GLY CA C 19 46.197 45.686 0.511 1
1 115 . 13 1 1 A 19 19 GLY HA3 H 19 4.220 4.104 0.116 1
1 116 . 13 1 1 A 19 19 GLY C C 19 173.563 174.331 -0.768 1
1 117 . 13 1 1 A 19 19 GLY HA2 H 19 3.750 4.089 -0.339 1
1 118 . 13 1 1 A 20 20 LYS N N 20 123.570 120.600 2.970 1
1 119 . 13 1 1 A 20 20 LYS H H 20 8.091 7.804 0.287 1
1 120 . 13 1 1 A 20 20 LYS CA C 20 58.371 54.709 3.662 1
1 121 . 13 1 1 A 20 20 LYS HA H 20 3.934 4.789 -0.855 1
1 122 . 13 1 1 A 20 20 LYS CB C 20 33.556 35.344 -1.788 1
1 130 . 13 1 1 A 20 20 LYS C C 20 173.490 174.658 -1.168 1
1 135 . 13 1 1 A 21 21 ALA N N 21 124.602 124.184 0.418 1
1 136 . 13 1 1 A 21 21 ALA H H 21 7.707 8.170 -0.463 1
1 137 . 13 1 1 A 21 21 ALA CA C 21 50.258 49.719 0.539 1
1 138 . 13 1 1 A 21 21 ALA HA H 21 5.182 5.521 -0.339 1
1 139 . 13 1 1 A 21 21 ALA CB C 21 22.647 22.772 -0.125 1
1 143 . 13 1 1 A 21 21 ALA C C 21 176.452 174.916 1.536 1
1 144 . 13 1 1 A 22 22 PHE N N 22 117.531 116.827 0.704 1
1 145 . 13 1 1 A 22 22 PHE H H 22 8.993 8.763 0.230 1
1 146 . 13 1 1 A 22 22 PHE CA C 22 57.291 56.729 0.562 1
1 147 . 13 1 1 A 22 22 PHE HA H 22 4.681 4.933 -0.252 1
1 148 . 13 1 1 A 22 22 PHE CB C 22 43.492 43.005 0.487 1
1 160 . 13 1 1 A 22 22 PHE C C 22 175.518 176.026 -0.508 1
1 162 . 13 1 1 A 23 23 GLY N N 23 108.429 111.049 -2.620 1
1 163 . 13 1 1 A 23 23 GLY H H 23 9.218 8.935 0.283 1
1 164 . 13 1 1 A 23 23 GLY CA C 23 46.310 46.995 -0.685 1
1 165 . 13 1 1 A 23 23 GLY HA3 H 23 4.441 4.014 0.427 1
1 166 . 13 1 1 A 23 23 GLY C C 23 173.456 174.507 -1.051 1
1 167 . 13 1 1 A 23 23 GLY HA2 H 23 4.101 3.946 0.155 1
1 168 . 13 1 1 A 24 24 LEU N N 24 117.612 120.750 -3.138 1
1 169 . 13 1 1 A 24 24 LEU H H 24 7.590 8.019 -0.429 1
1 170 . 13 1 1 A 24 24 LEU CA C 24 53.046 53.797 -0.751 1
1 171 . 13 1 1 A 24 24 LEU HA H 24 4.876 4.669 0.207 1
1 172 . 13 1 1 A 24 24 LEU CB C 24 45.217 43.661 1.556 1
1 184 . 13 1 1 A 24 24 LEU C C 24 177.375 177.170 0.205 1
1 186 . 13 1 1 A 25 25 SER N N 25 121.264 118.453 2.811 1
1 187 . 13 1 1 A 25 25 SER H H 25 8.392 8.720 -0.328 1
1 188 . 13 1 1 A 25 25 SER CA C 25 61.134 61.203 -0.069 1
1 189 . 13 1 1 A 25 25 SER HA H 25 3.053 2.991 0.062 1
1 190 . 13 1 1 A 25 25 SER CB C 25 61.763 62.017 -0.254 1
1 193 . 13 1 1 A 26 26 ALA N N 26 120.264 123.574 -3.310 1
1 194 . 13 1 1 A 26 26 ALA H H 26 8.540 7.969 0.571 1
1 195 . 13 1 1 A 26 26 ALA CA C 26 54.998 55.235 -0.237 1
1 196 . 13 1 1 A 26 26 ALA HA H 26 3.941 3.815 0.126 1
1 197 . 13 1 1 A 26 26 ALA CB C 26 18.632 18.486 0.146 1
1 201 . 13 1 1 A 26 26 ALA C C 26 180.701 180.010 0.691 1
1 202 . 13 1 1 A 27 27 GLU N N 27 114.495 118.248 -3.753 1
1 203 . 13 1 1 A 27 27 GLU H H 27 6.760 8.011 -1.251 1
1 204 . 13 1 1 A 27 27 GLU CA C 27 58.170 59.238 -1.068 1
1 205 . 13 1 1 A 27 27 GLU HA H 27 3.847 3.959 -0.112 1
1 206 . 13 1 1 A 27 27 GLU CB C 27 30.158 29.269 0.889 1
1 210 . 13 1 1 A 27 27 GLU C C 27 178.856 178.908 -0.052 1
1 213 . 13 1 1 A 28 28 LEU N N 28 121.928 121.797 0.131 1
1 214 . 13 1 1 A 28 28 LEU H H 28 6.961 7.109 -0.148 1
1 215 . 13 1 1 A 28 28 LEU CA C 28 57.950 57.459 0.491 1
1 216 . 13 1 1 A 28 28 LEU HA H 28 3.347 2.881 0.466 1
1 217 . 13 1 1 A 28 28 LEU CB C 28 40.130 41.051 -0.921 1
1 229 . 13 1 1 A 28 28 LEU C C 28 177.702 178.124 -0.422 1
1 231 . 13 1 1 A 29 29 VAL N N 29 119.082 119.018 0.064 1
1 232 . 13 1 1 A 29 29 VAL H H 29 8.093 7.819 0.274 1
1 233 . 13 1 1 A 29 29 VAL CA C 29 66.576 66.649 -0.073 1
1 234 . 13 1 1 A 29 29 VAL HA H 29 3.614 3.426 0.188 1
1 235 . 13 1 1 A 29 29 VAL CB C 29 31.696 31.129 0.567 1
1 245 . 13 1 1 A 29 29 VAL C C 29 178.880 177.831 1.049 1
1 246 . 13 1 1 A 30 30 ARG N N 30 117.780 119.707 -1.927 1
1 247 . 13 1 1 A 30 30 ARG H H 30 7.334 8.443 -1.109 1
1 248 . 13 1 1 A 30 30 ARG CA C 30 59.465 58.682 0.783 1
1 249 . 13 1 1 A 30 30 ARG HA H 30 3.919 4.007 -0.088 1
1 250 . 13 1 1 A 30 30 ARG CB C 30 30.372 29.832 0.540 1
1 255 . 13 1 1 A 30 30 ARG C C 30 178.976 178.316 0.660 1
1 259 . 13 1 1 A 31 31 HIS N N 31 118.952 120.324 -1.372 1
1 260 . 13 1 1 A 31 31 HIS H H 31 7.707 7.927 -0.220 1
1 261 . 13 1 1 A 31 31 HIS CA C 31 59.106 59.790 -0.684 1
1 262 . 13 1 1 A 31 31 HIS HA H 31 4.197 4.230 -0.033 1
1 263 . 13 1 1 A 31 31 HIS CB C 31 28.625 29.919 -1.294 1
1 269 . 13 1 1 A 31 31 HIS C C 31 176.294 176.473 -0.179 1
1 271 . 13 1 1 A 32 32 GLN N N 32 114.837 117.281 -2.444 1
1 272 . 13 1 1 A 32 32 GLN H H 32 8.512 8.281 0.231 1
1 273 . 13 1 1 A 32 32 GLN CA C 32 59.527 59.081 0.446 1
1 274 . 13 1 1 A 32 32 GLN HA H 32 3.682 3.751 -0.069 1
1 275 . 13 1 1 A 32 32 GLN CB C 32 28.414 28.271 0.143 1
1 282 . 13 1 1 A 32 32 GLN C C 32 177.046 178.399 -1.353 1
1 285 . 13 1 1 A 33 33 ARG N N 33 117.734 119.736 -2.002 1
1 286 . 13 1 1 A 33 33 ARG H H 33 7.088 8.067 -0.979 1
1 287 . 13 1 1 A 33 33 ARG CA C 33 58.432 59.021 -0.589 1
1 288 . 13 1 1 A 33 33 ARG HA H 33 4.115 4.165 -0.050 1
1 289 . 13 1 1 A 33 33 ARG CB C 33 30.016 29.797 0.219 1
1 294 . 13 1 1 A 33 33 ARG C C 33 178.394 178.446 -0.052 1
1 298 . 13 1 1 A 34 34 ILE N N 34 115.478 117.945 -2.467 1
1 299 . 13 1 1 A 34 34 ILE H H 34 7.677 8.054 -0.377 1
1 300 . 13 1 1 A 34 34 ILE CA C 34 63.060 64.178 -1.118 1
1 301 . 13 1 1 A 34 34 ILE HA H 34 3.947 3.672 0.275 1
1 302 . 13 1 1 A 34 34 ILE CB C 34 37.660 37.133 0.527 1
1 314 . 13 1 1 A 34 34 ILE C C 34 177.059 177.253 -0.194 1
1 316 . 13 1 1 A 35 35 HIS N N 35 117.439 119.754 -2.315 1
1 317 . 13 1 1 A 35 35 HIS H H 35 7.180 7.643 -0.463 1
1 318 . 13 1 1 A 35 35 HIS CA C 35 54.820 57.700 -2.880 1
1 319 . 13 1 1 A 35 35 HIS HA H 35 4.666 4.197 0.469 1
1 320 . 13 1 1 A 35 35 HIS CB C 35 28.012 30.035 -2.023 1
1 326 . 13 1 1 A 35 35 HIS C C 35 175.578 175.819 -0.241 1
1 328 . 13 1 1 A 36 36 THR N N 36 111.209 110.461 0.748 1
1 329 . 13 1 1 A 36 36 THR H H 36 7.590 8.049 -0.459 1
1 330 . 13 1 1 A 36 36 THR CA C 36 62.494 60.961 1.533 1
1 331 . 13 1 1 A 36 36 THR HA H 36 4.246 4.526 -0.280 1
1 332 . 13 1 1 A 36 36 THR CB C 36 69.710 70.963 -1.253 1
1 338 . 13 1 1 A 36 36 THR C C 36 175.421 174.012 1.409 1
1 339 . 13 1 1 A 37 37 GLY N N 37 110.931 115.909 -4.978 1
1 340 . 13 1 1 A 37 37 GLY H H 37 8.251 8.518 -0.267 1
1 341 . 13 1 1 A 37 37 GLY CA C 37 45.328 45.543 -0.215 1
1 342 . 13 1 1 A 37 37 GLY HA3 H 37 4.007 4.061 -0.054 1
1 343 . 13 1 1 A 37 37 GLY HA2 H 37 3.933 4.048 -0.115 1
1 344 . 13 1 1 A 38 38 GLU N N 38 120.496 115.102 5.394 1
1 345 . 13 1 1 A 38 38 GLU H H 38 8.060 7.598 0.462 1
1 346 . 13 1 1 A 38 38 GLU CA C 38 56.420 55.054 1.366 1
1 347 . 13 1 1 A 38 38 GLU HA H 38 4.251 4.527 -0.276 1
1 348 . 13 1 1 A 38 38 GLU CB C 38 30.580 31.520 -0.940 1
1 354 . 13 1 1 A 39 39 LYS N N 39 123.793 120.981 2.812 1
1 355 . 13 1 1 A 39 39 LYS H H 39 8.427 8.567 -0.140 1
1 356 . 13 1 1 A 39 39 LYS CA C 39 54.155 55.129 -0.974 1
1 357 . 13 1 1 A 39 39 LYS HA H 39 4.574 4.395 0.179 1
1 358 . 13 1 1 A 39 39 LYS CB C 39 32.536 31.845 0.691 1
1 370 . 13 1 1 A 40 40 PRO CA C 40 63.229 62.792 0.437 1
1 371 . 13 1 1 A 40 40 PRO HA H 40 4.432 4.586 -0.154 1
1 372 . 13 1 1 A 40 40 PRO CB C 40 32.117 32.042 0.075 1
1 381 . 13 1 1 A 41 41 SER N N 41 116.420 115.452 0.968 1
1 382 . 13 1 1 A 41 41 SER H H 41 8.435 8.903 -0.468 1
1 383 . 13 1 1 A 43 43 PRO CA C 43 63.289 64.931 -1.642 1
1 384 . 13 1 1 A 43 43 PRO HA H 43 4.477 4.466 0.011 1
1 385 . 13 1 1 A 43 43 PRO CB C 43 32.212 32.126 0.086 1
1 394 . 13 1 1 A 45 45 SER CA C 45 58.417 59.172 -0.755 1
1 395 . 13 1 1 A 45 45 SER HA H 45 4.517 4.570 -0.053 1
1 396 . 13 1 1 A 45 45 SER CB C 45 63.947 64.448 -0.501 1
1 397 . 13 1 1 A 45 45 SER C C 45 173.927 175.665 -1.738 1
1 1 . 14 1 1 A 9 9 GLY CA C 9 45.457 44.784 0.673 1
1 2 . 14 1 1 A 9 9 GLY HA2 H 9 3.947 4.087 -0.140 1
1 3 . 14 1 1 A 10 10 GLU N N 10 120.021 120.346 -0.325 1
1 4 . 14 1 1 A 10 10 GLU H H 10 8.232 8.524 -0.292 1
1 5 . 14 1 1 A 10 10 GLU CA C 10 56.989 54.416 2.573 1
1 6 . 14 1 1 A 10 10 GLU HA H 10 4.186 4.875 -0.689 1
1 7 . 14 1 1 A 10 10 GLU CB C 10 30.382 31.540 -1.158 1
1 13 . 14 1 1 A 11 11 LYS N N 11 121.247 120.204 1.043 1
1 14 . 14 1 1 A 11 11 LYS H H 11 8.262 8.590 -0.328 1
1 15 . 14 1 1 A 11 11 LYS CA C 11 53.662 53.422 0.240 1
1 16 . 14 1 1 A 11 11 LYS HA H 11 4.556 4.726 -0.170 1
1 17 . 14 1 1 A 11 11 LYS CB C 11 33.383 32.502 0.881 1
1 29 . 14 1 1 A 12 12 PRO CA C 12 63.504 64.873 -1.369 1
1 30 . 14 1 1 A 12 12 PRO HA H 12 4.297 4.292 0.005 1
1 31 . 14 1 1 A 12 12 PRO CB C 12 32.319 31.783 0.536 1
1 37 . 14 1 1 A 12 12 PRO C C 12 176.573 175.947 0.626 1
1 41 . 14 1 1 A 13 13 TYR N N 13 119.490 117.788 1.702 1
1 42 . 14 1 1 A 13 13 TYR H H 13 7.903 7.475 0.428 1
1 43 . 14 1 1 A 13 13 TYR CA C 13 57.922 57.147 0.775 1
1 44 . 14 1 1 A 13 13 TYR HA H 13 4.582 4.812 -0.230 1
1 45 . 14 1 1 A 13 13 TYR CB C 13 37.887 37.685 0.202 1
1 55 . 14 1 1 A 13 13 TYR C C 13 174.376 174.745 -0.369 1
1 57 . 14 1 1 A 14 14 VAL N N 14 125.513 124.001 1.512 1
1 58 . 14 1 1 A 14 14 VAL H H 14 8.446 9.066 -0.620 1
1 59 . 14 1 1 A 14 14 VAL CA C 14 61.477 59.884 1.593 1
1 60 . 14 1 1 A 14 14 VAL HA H 14 4.552 5.270 -0.718 1
1 61 . 14 1 1 A 14 14 VAL CB C 14 34.386 34.634 -0.248 1
1 71 . 14 1 1 A 14 14 VAL C C 14 175.372 174.470 0.902 1
1 72 . 14 1 1 A 15 15 CYS N N 15 129.259 126.987 2.272 1
1 73 . 14 1 1 A 15 15 CYS H H 15 9.292 9.329 -0.037 1
1 74 . 14 1 1 A 15 15 CYS CA C 15 60.158 60.258 -0.100 1
1 75 . 14 1 1 A 15 15 CYS HA H 15 4.513 4.576 -0.063 1
1 76 . 14 1 1 A 15 15 CYS CB C 15 29.975 29.040 0.935 1
1 78 . 14 1 1 A 15 15 CYS C C 15 176.962 176.372 0.590 1
1 80 . 14 1 1 A 16 16 ASP N N 16 115.898 129.729 -13.831 1
1 81 . 14 1 1 A 16 16 ASP H H 16 9.396 9.425 -0.029 1
1 82 . 14 1 1 A 16 16 ASP CA C 16 56.513 54.976 1.537 1
1 83 . 14 1 1 A 16 16 ASP HA H 16 4.402 4.761 -0.359 1
1 84 . 14 1 1 A 16 16 ASP CB C 16 40.801 40.860 -0.059 1
1 86 . 14 1 1 A 16 16 ASP C C 16 176.136 177.274 -1.138 1
1 88 . 14 1 1 A 17 17 TYR N N 17 119.369 120.645 -1.276 1
1 89 . 14 1 1 A 17 17 TYR H H 17 8.841 8.262 0.579 1
1 90 . 14 1 1 A 17 17 TYR CA C 17 60.339 61.247 -0.908 1
1 91 . 14 1 1 A 17 17 TYR HA H 17 4.242 4.134 0.108 1
1 92 . 14 1 1 A 17 17 TYR CB C 17 37.705 38.753 -1.048 1
1 102 . 14 1 1 A 17 17 TYR C C 17 177.144 177.561 -0.417 1
1 104 . 14 1 1 A 18 18 CYS N N 18 114.506 115.703 -1.197 1
1 105 . 14 1 1 A 18 18 CYS H H 18 7.999 8.244 -0.245 1
1 106 . 14 1 1 A 18 18 CYS CA C 18 58.405 59.794 -1.389 1
1 107 . 14 1 1 A 18 18 CYS HA H 18 5.187 4.758 0.429 1
1 108 . 14 1 1 A 18 18 CYS CB C 18 32.949 29.969 2.980 1
1 110 . 14 1 1 A 18 18 CYS C C 18 176.258 175.401 0.857 1
1 112 . 14 1 1 A 19 19 GLY N N 19 113.706 109.891 3.815 1
1 113 . 14 1 1 A 19 19 GLY H H 19 8.288 8.067 0.221 1
1 114 . 14 1 1 A 19 19 GLY CA C 19 46.197 45.331 0.866 1
1 115 . 14 1 1 A 19 19 GLY HA3 H 19 4.220 4.098 0.122 1
1 116 . 14 1 1 A 19 19 GLY C C 19 173.563 174.119 -0.556 1
1 117 . 14 1 1 A 19 19 GLY HA2 H 19 3.750 4.090 -0.340 1
1 118 . 14 1 1 A 20 20 LYS N N 20 123.570 119.503 4.067 1
1 119 . 14 1 1 A 20 20 LYS H H 20 8.091 7.851 0.240 1
1 120 . 14 1 1 A 20 20 LYS CA C 20 58.371 54.310 4.061 1
1 121 . 14 1 1 A 20 20 LYS HA H 20 3.934 4.506 -0.572 1
1 122 . 14 1 1 A 20 20 LYS CB C 20 33.556 34.012 -0.456 1
1 130 . 14 1 1 A 20 20 LYS C C 20 173.490 175.337 -1.847 1
1 135 . 14 1 1 A 21 21 ALA N N 21 124.602 125.452 -0.850 1
1 136 . 14 1 1 A 21 21 ALA H H 21 7.707 8.418 -0.711 1
1 137 . 14 1 1 A 21 21 ALA CA C 21 50.258 50.610 -0.352 1
1 138 . 14 1 1 A 21 21 ALA HA H 21 5.182 5.021 0.161 1
1 139 . 14 1 1 A 21 21 ALA CB C 21 22.647 21.169 1.478 1
1 143 . 14 1 1 A 21 21 ALA C C 21 176.452 176.244 0.208 1
1 144 . 14 1 1 A 22 22 PHE N N 22 117.531 117.982 -0.451 1
1 145 . 14 1 1 A 22 22 PHE H H 22 8.993 8.663 0.330 1
1 146 . 14 1 1 A 22 22 PHE CA C 22 57.291 56.721 0.570 1
1 147 . 14 1 1 A 22 22 PHE HA H 22 4.681 4.908 -0.227 1
1 148 . 14 1 1 A 22 22 PHE CB C 22 43.492 43.320 0.172 1
1 160 . 14 1 1 A 22 22 PHE C C 22 175.518 175.915 -0.397 1
1 162 . 14 1 1 A 23 23 GLY N N 23 108.429 112.600 -4.171 1
1 163 . 14 1 1 A 23 23 GLY H H 23 9.218 9.088 0.130 1
1 164 . 14 1 1 A 23 23 GLY CA C 23 46.310 46.082 0.228 1
1 165 . 14 1 1 A 23 23 GLY HA3 H 23 4.441 3.983 0.458 1
1 166 . 14 1 1 A 23 23 GLY C C 23 173.456 173.686 -0.230 1
1 167 . 14 1 1 A 23 23 GLY HA2 H 23 4.101 3.911 0.190 1
1 168 . 14 1 1 A 24 24 LEU N N 24 117.612 120.365 -2.753 1
1 169 . 14 1 1 A 24 24 LEU H H 24 7.590 7.647 -0.057 1
1 170 . 14 1 1 A 24 24 LEU CA C 24 53.046 54.114 -1.068 1
1 171 . 14 1 1 A 24 24 LEU HA H 24 4.876 4.504 0.372 1
1 172 . 14 1 1 A 24 24 LEU CB C 24 45.217 44.896 0.321 1
1 184 . 14 1 1 A 24 24 LEU C C 24 177.375 175.843 1.532 1
1 186 . 14 1 1 A 25 25 SER N N 25 121.264 121.391 -0.127 1
1 187 . 14 1 1 A 25 25 SER H H 25 8.392 8.363 0.029 1
1 188 . 14 1 1 A 25 25 SER CA C 25 61.134 61.091 0.043 1
1 189 . 14 1 1 A 25 25 SER HA H 25 3.053 3.200 -0.147 1
1 190 . 14 1 1 A 25 25 SER CB C 25 61.763 61.905 -0.142 1
1 193 . 14 1 1 A 26 26 ALA N N 26 120.264 122.222 -1.958 1
1 194 . 14 1 1 A 26 26 ALA H H 26 8.540 8.042 0.498 1
1 195 . 14 1 1 A 26 26 ALA CA C 26 54.998 55.070 -0.072 1
1 196 . 14 1 1 A 26 26 ALA HA H 26 3.941 3.916 0.025 1
1 197 . 14 1 1 A 26 26 ALA CB C 26 18.632 18.362 0.270 1
1 201 . 14 1 1 A 26 26 ALA C C 26 180.701 180.064 0.637 1
1 202 . 14 1 1 A 27 27 GLU N N 27 114.495 118.163 -3.668 1
1 203 . 14 1 1 A 27 27 GLU H H 27 6.760 7.925 -1.165 1
1 204 . 14 1 1 A 27 27 GLU CA C 27 58.170 59.197 -1.027 1
1 205 . 14 1 1 A 27 27 GLU HA H 27 3.847 3.914 -0.067 1
1 206 . 14 1 1 A 27 27 GLU CB C 27 30.158 29.289 0.869 1
1 210 . 14 1 1 A 27 27 GLU C C 27 178.856 178.784 0.072 1
1 213 . 14 1 1 A 28 28 LEU N N 28 121.928 121.277 0.651 1
1 214 . 14 1 1 A 28 28 LEU H H 28 6.961 7.251 -0.290 1
1 215 . 14 1 1 A 28 28 LEU CA C 28 57.950 57.782 0.168 1
1 216 . 14 1 1 A 28 28 LEU HA H 28 3.347 3.226 0.121 1
1 217 . 14 1 1 A 28 28 LEU CB C 28 40.130 41.919 -1.789 1
1 229 . 14 1 1 A 28 28 LEU C C 28 177.702 178.489 -0.787 1
1 231 . 14 1 1 A 29 29 VAL N N 29 119.082 119.315 -0.233 1
1 232 . 14 1 1 A 29 29 VAL H H 29 8.093 7.990 0.103 1
1 233 . 14 1 1 A 29 29 VAL CA C 29 66.576 67.093 -0.517 1
1 234 . 14 1 1 A 29 29 VAL HA H 29 3.614 3.459 0.155 1
1 235 . 14 1 1 A 29 29 VAL CB C 29 31.696 31.299 0.397 1
1 245 . 14 1 1 A 29 29 VAL C C 29 178.880 177.482 1.398 1
1 246 . 14 1 1 A 30 30 ARG N N 30 117.780 119.438 -1.658 1
1 247 . 14 1 1 A 30 30 ARG H H 30 7.334 8.410 -1.076 1
1 248 . 14 1 1 A 30 30 ARG CA C 30 59.465 59.469 -0.004 1
1 249 . 14 1 1 A 30 30 ARG HA H 30 3.919 3.897 0.022 1
1 250 . 14 1 1 A 30 30 ARG CB C 30 30.372 29.624 0.748 1
1 255 . 14 1 1 A 30 30 ARG C C 30 178.976 178.602 0.374 1
1 259 . 14 1 1 A 31 31 HIS N N 31 118.952 120.595 -1.643 1
1 260 . 14 1 1 A 31 31 HIS H H 31 7.707 7.924 -0.217 1
1 261 . 14 1 1 A 31 31 HIS CA C 31 59.106 59.322 -0.216 1
1 262 . 14 1 1 A 31 31 HIS HA H 31 4.197 4.106 0.091 1
1 263 . 14 1 1 A 31 31 HIS CB C 31 28.625 29.634 -1.009 1
1 269 . 14 1 1 A 31 31 HIS C C 31 176.294 177.089 -0.795 1
1 271 . 14 1 1 A 32 32 GLN N N 32 114.837 117.273 -2.436 1
1 272 . 14 1 1 A 32 32 GLN H H 32 8.512 8.428 0.084 1
1 273 . 14 1 1 A 32 32 GLN CA C 32 59.527 59.132 0.395 1
1 274 . 14 1 1 A 32 32 GLN HA H 32 3.682 3.782 -0.100 1
1 275 . 14 1 1 A 32 32 GLN CB C 32 28.414 28.352 0.062 1
1 282 . 14 1 1 A 32 32 GLN C C 32 177.046 178.407 -1.361 1
1 285 . 14 1 1 A 33 33 ARG N N 33 117.734 119.672 -1.938 1
1 286 . 14 1 1 A 33 33 ARG H H 33 7.088 8.010 -0.922 1
1 287 . 14 1 1 A 33 33 ARG CA C 33 58.432 58.801 -0.369 1
1 288 . 14 1 1 A 33 33 ARG HA H 33 4.115 4.072 0.043 1
1 289 . 14 1 1 A 33 33 ARG CB C 33 30.016 29.730 0.286 1
1 294 . 14 1 1 A 33 33 ARG C C 33 178.394 178.832 -0.438 1
1 298 . 14 1 1 A 34 34 ILE N N 34 115.478 117.462 -1.984 1
1 299 . 14 1 1 A 34 34 ILE H H 34 7.677 7.826 -0.149 1
1 300 . 14 1 1 A 34 34 ILE CA C 34 63.060 63.879 -0.819 1
1 301 . 14 1 1 A 34 34 ILE HA H 34 3.947 3.671 0.276 1
1 302 . 14 1 1 A 34 34 ILE CB C 34 37.660 36.983 0.677 1
1 314 . 14 1 1 A 34 34 ILE C C 34 177.059 176.769 0.290 1
1 316 . 14 1 1 A 35 35 HIS N N 35 117.439 119.667 -2.228 1
1 317 . 14 1 1 A 35 35 HIS H H 35 7.180 7.582 -0.402 1
1 318 . 14 1 1 A 35 35 HIS CA C 35 54.820 57.013 -2.193 1
1 319 . 14 1 1 A 35 35 HIS HA H 35 4.666 4.218 0.448 1
1 320 . 14 1 1 A 35 35 HIS CB C 35 28.012 29.802 -1.790 1
1 326 . 14 1 1 A 35 35 HIS C C 35 175.578 174.936 0.642 1
1 328 . 14 1 1 A 36 36 THR N N 36 111.209 109.484 1.725 1
1 329 . 14 1 1 A 36 36 THR H H 36 7.590 7.852 -0.262 1
1 330 . 14 1 1 A 36 36 THR CA C 36 62.494 59.688 2.806 1
1 331 . 14 1 1 A 36 36 THR HA H 36 4.246 4.557 -0.311 1
1 332 . 14 1 1 A 36 36 THR CB C 36 69.710 71.435 -1.725 1
1 338 . 14 1 1 A 36 36 THR C C 36 175.421 173.963 1.458 1
1 339 . 14 1 1 A 37 37 GLY N N 37 110.931 108.740 2.191 1
1 340 . 14 1 1 A 37 37 GLY H H 37 8.251 8.312 -0.061 1
1 341 . 14 1 1 A 37 37 GLY CA C 37 45.328 45.907 -0.579 1
1 342 . 14 1 1 A 37 37 GLY HA3 H 37 4.007 3.953 0.054 1
1 343 . 14 1 1 A 37 37 GLY HA2 H 37 3.933 3.943 -0.010 1
1 344 . 14 1 1 A 38 38 GLU N N 38 120.496 125.122 -4.626 1
1 345 . 14 1 1 A 38 38 GLU H H 38 8.060 8.579 -0.519 1
1 346 . 14 1 1 A 38 38 GLU CA C 38 56.420 56.880 -0.460 1
1 347 . 14 1 1 A 38 38 GLU HA H 38 4.251 4.296 -0.045 1
1 348 . 14 1 1 A 38 38 GLU CB C 38 30.580 29.932 0.648 1
1 354 . 14 1 1 A 39 39 LYS N N 39 123.793 126.489 -2.696 1
1 355 . 14 1 1 A 39 39 LYS H H 39 8.427 8.717 -0.290 1
1 356 . 14 1 1 A 39 39 LYS CA C 39 54.155 52.946 1.209 1
1 357 . 14 1 1 A 39 39 LYS HA H 39 4.574 4.961 -0.387 1
1 358 . 14 1 1 A 39 39 LYS CB C 39 32.536 33.224 -0.688 1
1 370 . 14 1 1 A 40 40 PRO CA C 40 63.229 62.528 0.701 1
1 371 . 14 1 1 A 40 40 PRO HA H 40 4.432 4.621 -0.189 1
1 372 . 14 1 1 A 40 40 PRO CB C 40 32.117 30.711 1.406 1
1 381 . 14 1 1 A 41 41 SER N N 41 116.420 119.110 -2.690 1
1 382 . 14 1 1 A 41 41 SER H H 41 8.435 8.188 0.247 1
1 383 . 14 1 1 A 43 43 PRO CA C 43 63.289 62.545 0.744 1
1 384 . 14 1 1 A 43 43 PRO HA H 43 4.477 4.679 -0.202 1
1 385 . 14 1 1 A 43 43 PRO CB C 43 32.212 33.249 -1.037 1
1 394 . 14 1 1 A 45 45 SER CA C 45 58.417 60.533 -2.116 1
1 395 . 14 1 1 A 45 45 SER HA H 45 4.517 4.062 0.455 1
1 396 . 14 1 1 A 45 45 SER CB C 45 63.947 62.931 1.016 1
1 397 . 14 1 1 A 45 45 SER C C 45 173.927 175.524 -1.597 1
1 1 . 15 1 1 A 9 9 GLY CA C 9 45.457 46.288 -0.831 1
1 2 . 15 1 1 A 9 9 GLY HA2 H 9 3.947 3.951 -0.004 1
1 3 . 15 1 1 A 10 10 GLU N N 10 120.021 119.487 0.534 1
1 4 . 15 1 1 A 10 10 GLU H H 10 8.232 7.855 0.377 1
1 5 . 15 1 1 A 10 10 GLU CA C 10 56.989 56.009 0.980 1
1 6 . 15 1 1 A 10 10 GLU HA H 10 4.186 4.424 -0.238 1
1 7 . 15 1 1 A 10 10 GLU CB C 10 30.382 30.547 -0.165 1
1 13 . 15 1 1 A 11 11 LYS N N 11 121.247 124.750 -3.503 1
1 14 . 15 1 1 A 11 11 LYS H H 11 8.262 8.291 -0.029 1
1 15 . 15 1 1 A 11 11 LYS CA C 11 53.662 53.034 0.628 1
1 16 . 15 1 1 A 11 11 LYS HA H 11 4.556 4.862 -0.306 1
1 17 . 15 1 1 A 11 11 LYS CB C 11 33.383 34.513 -1.130 1
1 29 . 15 1 1 A 12 12 PRO CA C 12 63.504 64.923 -1.419 1
1 30 . 15 1 1 A 12 12 PRO HA H 12 4.297 4.344 -0.047 1
1 31 . 15 1 1 A 12 12 PRO CB C 12 32.319 31.627 0.692 1
1 37 . 15 1 1 A 12 12 PRO C C 12 176.573 176.031 0.542 1
1 41 . 15 1 1 A 13 13 TYR N N 13 119.490 117.871 1.619 1
1 42 . 15 1 1 A 13 13 TYR H H 13 7.903 7.799 0.104 1
1 43 . 15 1 1 A 13 13 TYR CA C 13 57.922 58.297 -0.375 1
1 44 . 15 1 1 A 13 13 TYR HA H 13 4.582 4.697 -0.115 1
1 45 . 15 1 1 A 13 13 TYR CB C 13 37.887 38.532 -0.645 1
1 55 . 15 1 1 A 13 13 TYR C C 13 174.376 176.195 -1.819 1
1 57 . 15 1 1 A 14 14 VAL N N 14 125.513 123.499 2.014 1
1 58 . 15 1 1 A 14 14 VAL H H 14 8.446 8.913 -0.467 1
1 59 . 15 1 1 A 14 14 VAL CA C 14 61.477 61.358 0.119 1
1 60 . 15 1 1 A 14 14 VAL HA H 14 4.552 4.631 -0.079 1
1 61 . 15 1 1 A 14 14 VAL CB C 14 34.386 34.456 -0.070 1
1 71 . 15 1 1 A 14 14 VAL C C 14 175.372 175.812 -0.440 1
1 72 . 15 1 1 A 15 15 CYS N N 15 129.259 127.255 2.004 1
1 73 . 15 1 1 A 15 15 CYS H H 15 9.292 8.734 0.558 1
1 74 . 15 1 1 A 15 15 CYS CA C 15 60.158 60.308 -0.150 1
1 75 . 15 1 1 A 15 15 CYS HA H 15 4.513 4.423 0.090 1
1 76 . 15 1 1 A 15 15 CYS CB C 15 29.975 28.644 1.331 1
1 78 . 15 1 1 A 15 15 CYS C C 15 176.962 175.483 1.479 1
1 80 . 15 1 1 A 16 16 ASP N N 16 115.898 127.745 -11.847 1
1 81 . 15 1 1 A 16 16 ASP H H 16 9.396 9.130 0.266 1
1 82 . 15 1 1 A 16 16 ASP CA C 16 56.513 54.161 2.352 1
1 83 . 15 1 1 A 16 16 ASP HA H 16 4.402 4.948 -0.546 1
1 84 . 15 1 1 A 16 16 ASP CB C 16 40.801 41.341 -0.540 1
1 86 . 15 1 1 A 16 16 ASP C C 16 176.136 176.064 0.072 1
1 88 . 15 1 1 A 17 17 TYR N N 17 119.369 119.857 -0.488 1
1 89 . 15 1 1 A 17 17 TYR H H 17 8.841 8.002 0.839 1
1 90 . 15 1 1 A 17 17 TYR CA C 17 60.339 59.777 0.562 1
1 91 . 15 1 1 A 17 17 TYR HA H 17 4.242 4.756 -0.514 1
1 92 . 15 1 1 A 17 17 TYR CB C 17 37.705 40.077 -2.372 1
1 102 . 15 1 1 A 17 17 TYR C C 17 177.144 176.942 0.202 1
1 104 . 15 1 1 A 18 18 CYS N N 18 114.506 115.787 -1.281 1
1 105 . 15 1 1 A 18 18 CYS H H 18 7.999 7.819 0.180 1
1 106 . 15 1 1 A 18 18 CYS CA C 18 58.405 59.764 -1.359 1
1 107 . 15 1 1 A 18 18 CYS HA H 18 5.187 4.728 0.459 1
1 108 . 15 1 1 A 18 18 CYS CB C 18 32.949 29.793 3.156 1
1 110 . 15 1 1 A 18 18 CYS C C 18 176.258 175.289 0.969 1
1 112 . 15 1 1 A 19 19 GLY N N 19 113.706 110.137 3.569 1
1 113 . 15 1 1 A 19 19 GLY H H 19 8.288 8.091 0.197 1
1 114 . 15 1 1 A 19 19 GLY CA C 19 46.197 45.091 1.106 1
1 115 . 15 1 1 A 19 19 GLY HA3 H 19 4.220 4.116 0.104 1
1 116 . 15 1 1 A 19 19 GLY C C 19 173.563 174.358 -0.795 1
1 117 . 15 1 1 A 19 19 GLY HA2 H 19 3.750 4.104 -0.354 1
1 118 . 15 1 1 A 20 20 LYS N N 20 123.570 122.109 1.461 1
1 119 . 15 1 1 A 20 20 LYS H H 20 8.091 7.566 0.525 1
1 120 . 15 1 1 A 20 20 LYS CA C 20 58.371 55.187 3.184 1
1 121 . 15 1 1 A 20 20 LYS HA H 20 3.934 4.444 -0.510 1
1 122 . 15 1 1 A 20 20 LYS CB C 20 33.556 33.486 0.070 1
1 130 . 15 1 1 A 20 20 LYS C C 20 173.490 176.072 -2.582 1
1 135 . 15 1 1 A 21 21 ALA N N 21 124.602 128.493 -3.891 1
1 136 . 15 1 1 A 21 21 ALA H H 21 7.707 8.463 -0.756 1
1 137 . 15 1 1 A 21 21 ALA CA C 21 50.258 51.164 -0.906 1
1 138 . 15 1 1 A 21 21 ALA HA H 21 5.182 5.085 0.097 1
1 139 . 15 1 1 A 21 21 ALA CB C 21 22.647 20.453 2.194 1
1 143 . 15 1 1 A 21 21 ALA C C 21 176.452 176.619 -0.167 1
1 144 . 15 1 1 A 22 22 PHE N N 22 117.531 117.344 0.187 1
1 145 . 15 1 1 A 22 22 PHE H H 22 8.993 8.860 0.133 1
1 146 . 15 1 1 A 22 22 PHE CA C 22 57.291 56.522 0.769 1
1 147 . 15 1 1 A 22 22 PHE HA H 22 4.681 4.867 -0.186 1
1 148 . 15 1 1 A 22 22 PHE CB C 22 43.492 43.212 0.280 1
1 160 . 15 1 1 A 22 22 PHE C C 22 175.518 176.291 -0.773 1
1 162 . 15 1 1 A 23 23 GLY N N 23 108.429 111.904 -3.475 1
1 163 . 15 1 1 A 23 23 GLY H H 23 9.218 8.938 0.280 1
1 164 . 15 1 1 A 23 23 GLY CA C 23 46.310 46.644 -0.334 1
1 165 . 15 1 1 A 23 23 GLY HA3 H 23 4.441 4.025 0.416 1
1 166 . 15 1 1 A 23 23 GLY C C 23 173.456 174.035 -0.579 1
1 167 . 15 1 1 A 23 23 GLY HA2 H 23 4.101 3.970 0.131 1
1 168 . 15 1 1 A 24 24 LEU N N 24 117.612 121.275 -3.663 1
1 169 . 15 1 1 A 24 24 LEU H H 24 7.590 7.907 -0.317 1
1 170 . 15 1 1 A 24 24 LEU CA C 24 53.046 52.931 0.115 1
1 171 . 15 1 1 A 24 24 LEU HA H 24 4.876 4.900 -0.024 1
1 172 . 15 1 1 A 24 24 LEU CB C 24 45.217 44.750 0.467 1
1 184 . 15 1 1 A 24 24 LEU C C 24 177.375 176.547 0.828 1
1 186 . 15 1 1 A 25 25 SER N N 25 121.264 115.827 5.437 1
1 187 . 15 1 1 A 25 25 SER H H 25 8.392 8.631 -0.239 1
1 188 . 15 1 1 A 25 25 SER CA C 25 61.134 60.479 0.655 1
1 189 . 15 1 1 A 25 25 SER HA H 25 3.053 3.096 -0.043 1
1 190 . 15 1 1 A 25 25 SER CB C 25 61.763 62.405 -0.642 1
1 193 . 15 1 1 A 26 26 ALA N N 26 120.264 124.165 -3.901 1
1 194 . 15 1 1 A 26 26 ALA H H 26 8.540 7.921 0.619 1
1 195 . 15 1 1 A 26 26 ALA CA C 26 54.998 55.306 -0.308 1
1 196 . 15 1 1 A 26 26 ALA HA H 26 3.941 3.837 0.104 1
1 197 . 15 1 1 A 26 26 ALA CB C 26 18.632 17.815 0.817 1
1 201 . 15 1 1 A 26 26 ALA C C 26 180.701 179.552 1.149 1
1 202 . 15 1 1 A 27 27 GLU N N 27 114.495 118.126 -3.631 1
1 203 . 15 1 1 A 27 27 GLU H H 27 6.760 7.926 -1.166 1
1 204 . 15 1 1 A 27 27 GLU CA C 27 58.170 59.014 -0.844 1
1 205 . 15 1 1 A 27 27 GLU HA H 27 3.847 3.841 0.006 1
1 206 . 15 1 1 A 27 27 GLU CB C 27 30.158 29.184 0.974 1
1 210 . 15 1 1 A 27 27 GLU C C 27 178.856 178.516 0.340 1
1 213 . 15 1 1 A 28 28 LEU N N 28 121.928 121.915 0.013 1
1 214 . 15 1 1 A 28 28 LEU H H 28 6.961 7.554 -0.593 1
1 215 . 15 1 1 A 28 28 LEU CA C 28 57.950 57.913 0.037 1
1 216 . 15 1 1 A 28 28 LEU HA H 28 3.347 3.130 0.217 1
1 217 . 15 1 1 A 28 28 LEU CB C 28 40.130 41.637 -1.507 1
1 229 . 15 1 1 A 28 28 LEU C C 28 177.702 178.384 -0.682 1
1 231 . 15 1 1 A 29 29 VAL N N 29 119.082 119.339 -0.257 1
1 232 . 15 1 1 A 29 29 VAL H H 29 8.093 7.442 0.651 1
1 233 . 15 1 1 A 29 29 VAL CA C 29 66.576 67.133 -0.557 1
1 234 . 15 1 1 A 29 29 VAL HA H 29 3.614 3.418 0.196 1
1 235 . 15 1 1 A 29 29 VAL CB C 29 31.696 31.275 0.421 1
1 245 . 15 1 1 A 29 29 VAL C C 29 178.880 177.739 1.141 1
1 246 . 15 1 1 A 30 30 ARG N N 30 117.780 118.839 -1.059 1
1 247 . 15 1 1 A 30 30 ARG H H 30 7.334 7.747 -0.413 1
1 248 . 15 1 1 A 30 30 ARG CA C 30 59.465 58.647 0.818 1
1 249 . 15 1 1 A 30 30 ARG HA H 30 3.919 4.049 -0.130 1
1 250 . 15 1 1 A 30 30 ARG CB C 30 30.372 30.007 0.365 1
1 255 . 15 1 1 A 30 30 ARG C C 30 178.976 178.517 0.459 1
1 259 . 15 1 1 A 31 31 HIS N N 31 118.952 121.580 -2.628 1
1 260 . 15 1 1 A 31 31 HIS H H 31 7.707 8.003 -0.296 1
1 261 . 15 1 1 A 31 31 HIS CA C 31 59.106 59.133 -0.027 1
1 262 . 15 1 1 A 31 31 HIS HA H 31 4.197 4.121 0.076 1
1 263 . 15 1 1 A 31 31 HIS CB C 31 28.625 29.685 -1.060 1
1 269 . 15 1 1 A 31 31 HIS C C 31 176.294 177.153 -0.859 1
1 271 . 15 1 1 A 32 32 GLN N N 32 114.837 117.493 -2.656 1
1 272 . 15 1 1 A 32 32 GLN H H 32 8.512 8.531 -0.019 1
1 273 . 15 1 1 A 32 32 GLN CA C 32 59.527 58.890 0.637 1
1 274 . 15 1 1 A 32 32 GLN HA H 32 3.682 3.679 0.003 1
1 275 . 15 1 1 A 32 32 GLN CB C 32 28.414 28.342 0.072 1
1 282 . 15 1 1 A 32 32 GLN C C 32 177.046 178.395 -1.349 1
1 285 . 15 1 1 A 33 33 ARG N N 33 117.734 119.855 -2.121 1
1 286 . 15 1 1 A 33 33 ARG H H 33 7.088 7.976 -0.888 1
1 287 . 15 1 1 A 33 33 ARG CA C 33 58.432 58.849 -0.417 1
1 288 . 15 1 1 A 33 33 ARG HA H 33 4.115 4.086 0.029 1
1 289 . 15 1 1 A 33 33 ARG CB C 33 30.016 29.764 0.252 1
1 294 . 15 1 1 A 33 33 ARG C C 33 178.394 179.019 -0.625 1
1 298 . 15 1 1 A 34 34 ILE N N 34 115.478 118.013 -2.535 1
1 299 . 15 1 1 A 34 34 ILE H H 34 7.677 7.632 0.045 1
1 300 . 15 1 1 A 34 34 ILE CA C 34 63.060 63.944 -0.884 1
1 301 . 15 1 1 A 34 34 ILE HA H 34 3.947 3.651 0.296 1
1 302 . 15 1 1 A 34 34 ILE CB C 34 37.660 37.062 0.598 1
1 314 . 15 1 1 A 34 34 ILE C C 34 177.059 176.989 0.070 1
1 316 . 15 1 1 A 35 35 HIS N N 35 117.439 119.420 -1.981 1
1 317 . 15 1 1 A 35 35 HIS H H 35 7.180 7.350 -0.170 1
1 318 . 15 1 1 A 35 35 HIS CA C 35 54.820 57.523 -2.703 1
1 319 . 15 1 1 A 35 35 HIS HA H 35 4.666 4.182 0.484 1
1 320 . 15 1 1 A 35 35 HIS CB C 35 28.012 30.246 -2.234 1
1 326 . 15 1 1 A 35 35 HIS C C 35 175.578 175.458 0.120 1
1 328 . 15 1 1 A 36 36 THR N N 36 111.209 110.149 1.060 1
1 329 . 15 1 1 A 36 36 THR H H 36 7.590 7.824 -0.234 1
1 330 . 15 1 1 A 36 36 THR CA C 36 62.494 59.906 2.588 1
1 331 . 15 1 1 A 36 36 THR HA H 36 4.246 4.539 -0.293 1
1 332 . 15 1 1 A 36 36 THR CB C 36 69.710 71.706 -1.996 1
1 338 . 15 1 1 A 36 36 THR C C 36 175.421 173.267 2.154 1
1 339 . 15 1 1 A 37 37 GLY N N 37 110.931 113.935 -3.004 1
1 340 . 15 1 1 A 37 37 GLY H H 37 8.251 8.157 0.094 1
1 341 . 15 1 1 A 37 37 GLY CA C 37 45.328 45.573 -0.245 1
1 342 . 15 1 1 A 37 37 GLY HA3 H 37 4.007 4.113 -0.106 1
1 343 . 15 1 1 A 37 37 GLY HA2 H 37 3.933 4.096 -0.163 1
1 344 . 15 1 1 A 38 38 GLU N N 38 120.496 125.037 -4.541 1
1 345 . 15 1 1 A 38 38 GLU H H 38 8.060 8.086 -0.026 1
1 346 . 15 1 1 A 38 38 GLU CA C 38 56.420 55.476 0.944 1
1 347 . 15 1 1 A 38 38 GLU HA H 38 4.251 4.495 -0.244 1
1 348 . 15 1 1 A 38 38 GLU CB C 38 30.580 30.835 -0.255 1
1 354 . 15 1 1 A 39 39 LYS N N 39 123.793 127.430 -3.637 1
1 355 . 15 1 1 A 39 39 LYS H H 39 8.427 8.337 0.090 1
1 356 . 15 1 1 A 39 39 LYS CA C 39 54.155 55.356 -1.201 1
1 357 . 15 1 1 A 39 39 LYS HA H 39 4.574 4.253 0.321 1
1 358 . 15 1 1 A 39 39 LYS CB C 39 32.536 31.776 0.760 1
1 370 . 15 1 1 A 40 40 PRO CA C 40 63.229 62.507 0.722 1
1 371 . 15 1 1 A 40 40 PRO HA H 40 4.432 4.667 -0.235 1
1 372 . 15 1 1 A 40 40 PRO CB C 40 32.117 30.291 1.826 1
1 381 . 15 1 1 A 41 41 SER N N 41 116.420 120.470 -4.050 1
1 382 . 15 1 1 A 41 41 SER H H 41 8.435 8.176 0.259 1
1 383 . 15 1 1 A 43 43 PRO CA C 43 63.289 62.389 0.900 1
1 384 . 15 1 1 A 43 43 PRO HA H 43 4.477 4.710 -0.233 1
1 385 . 15 1 1 A 43 43 PRO CB C 43 32.212 29.759 2.453 1
1 394 . 15 1 1 A 45 45 SER CA C 45 58.417 59.246 -0.829 1
1 395 . 15 1 1 A 45 45 SER HA H 45 4.517 4.074 0.443 1
1 396 . 15 1 1 A 45 45 SER CB C 45 63.947 61.773 2.174 1
1 397 . 15 1 1 A 45 45 SER C C 45 173.927 173.658 0.269 1
1 1 . 16 1 1 A 9 9 GLY CA C 9 45.457 45.062 0.395 1
1 2 . 16 1 1 A 9 9 GLY HA2 H 9 3.947 4.123 -0.176 1
1 3 . 16 1 1 A 10 10 GLU N N 10 120.021 121.780 -1.759 1
1 4 . 16 1 1 A 10 10 GLU H H 10 8.232 8.484 -0.252 1
1 5 . 16 1 1 A 10 10 GLU CA C 10 56.989 54.402 2.587 1
1 6 . 16 1 1 A 10 10 GLU HA H 10 4.186 4.983 -0.797 1
1 7 . 16 1 1 A 10 10 GLU CB C 10 30.382 31.832 -1.450 1
1 13 . 16 1 1 A 11 11 LYS N N 11 121.247 119.300 1.947 1
1 14 . 16 1 1 A 11 11 LYS H H 11 8.262 8.424 -0.162 1
1 15 . 16 1 1 A 11 11 LYS CA C 11 53.662 53.155 0.507 1
1 16 . 16 1 1 A 11 11 LYS HA H 11 4.556 4.817 -0.261 1
1 17 . 16 1 1 A 11 11 LYS CB C 11 33.383 33.911 -0.528 1
1 29 . 16 1 1 A 12 12 PRO CA C 12 63.504 64.917 -1.413 1
1 30 . 16 1 1 A 12 12 PRO HA H 12 4.297 4.309 -0.012 1
1 31 . 16 1 1 A 12 12 PRO CB C 12 32.319 31.715 0.604 1
1 37 . 16 1 1 A 12 12 PRO C C 12 176.573 175.887 0.686 1
1 41 . 16 1 1 A 13 13 TYR N N 13 119.490 118.640 0.850 1
1 42 . 16 1 1 A 13 13 TYR H H 13 7.903 7.435 0.468 1
1 43 . 16 1 1 A 13 13 TYR CA C 13 57.922 58.227 -0.305 1
1 44 . 16 1 1 A 13 13 TYR HA H 13 4.582 4.749 -0.167 1
1 45 . 16 1 1 A 13 13 TYR CB C 13 37.887 40.108 -2.221 1
1 55 . 16 1 1 A 13 13 TYR C C 13 174.376 176.331 -1.955 1
1 57 . 16 1 1 A 14 14 VAL N N 14 125.513 121.305 4.208 1
1 58 . 16 1 1 A 14 14 VAL H H 14 8.446 8.708 -0.262 1
1 59 . 16 1 1 A 14 14 VAL CA C 14 61.477 61.421 0.056 1
1 60 . 16 1 1 A 14 14 VAL HA H 14 4.552 5.220 -0.668 1
1 61 . 16 1 1 A 14 14 VAL CB C 14 34.386 35.758 -1.372 1
1 71 . 16 1 1 A 14 14 VAL C C 14 175.372 175.280 0.092 1
1 72 . 16 1 1 A 15 15 CYS N N 15 129.259 125.970 3.289 1
1 73 . 16 1 1 A 15 15 CYS H H 15 9.292 8.905 0.387 1
1 74 . 16 1 1 A 15 15 CYS CA C 15 60.158 58.527 1.631 1
1 75 . 16 1 1 A 15 15 CYS HA H 15 4.513 4.708 -0.195 1
1 76 . 16 1 1 A 15 15 CYS CB C 15 29.975 27.138 2.837 1
1 78 . 16 1 1 A 15 15 CYS C C 15 176.962 175.107 1.855 1
1 80 . 16 1 1 A 16 16 ASP N N 16 115.898 126.289 -10.391 1
1 81 . 16 1 1 A 16 16 ASP H H 16 9.396 8.339 1.057 1
1 82 . 16 1 1 A 16 16 ASP CA C 16 56.513 57.620 -1.107 1
1 83 . 16 1 1 A 16 16 ASP HA H 16 4.402 4.373 0.029 1
1 84 . 16 1 1 A 16 16 ASP CB C 16 40.801 40.240 0.561 1
1 86 . 16 1 1 A 16 16 ASP C C 16 176.136 178.359 -2.223 1
1 88 . 16 1 1 A 17 17 TYR N N 17 119.369 121.548 -2.179 1
1 89 . 16 1 1 A 17 17 TYR H H 17 8.841 8.542 0.299 1
1 90 . 16 1 1 A 17 17 TYR CA C 17 60.339 62.241 -1.902 1
1 91 . 16 1 1 A 17 17 TYR HA H 17 4.242 4.026 0.216 1
1 92 . 16 1 1 A 17 17 TYR CB C 17 37.705 38.816 -1.111 1
1 102 . 16 1 1 A 17 17 TYR C C 17 177.144 177.825 -0.681 1
1 104 . 16 1 1 A 18 18 CYS N N 18 114.506 116.126 -1.620 1
1 105 . 16 1 1 A 18 18 CYS H H 18 7.999 7.821 0.178 1
1 106 . 16 1 1 A 18 18 CYS CA C 18 58.405 59.828 -1.423 1
1 107 . 16 1 1 A 18 18 CYS HA H 18 5.187 4.619 0.568 1
1 108 . 16 1 1 A 18 18 CYS CB C 18 32.949 29.687 3.262 1
1 110 . 16 1 1 A 18 18 CYS C C 18 176.258 175.241 1.017 1
1 112 . 16 1 1 A 19 19 GLY N N 19 113.706 110.132 3.574 1
1 113 . 16 1 1 A 19 19 GLY H H 19 8.288 8.206 0.082 1
1 114 . 16 1 1 A 19 19 GLY CA C 19 46.197 45.265 0.932 1
1 115 . 16 1 1 A 19 19 GLY HA3 H 19 4.220 4.129 0.091 1
1 116 . 16 1 1 A 19 19 GLY C C 19 173.563 174.337 -0.774 1
1 117 . 16 1 1 A 19 19 GLY HA2 H 19 3.750 4.111 -0.361 1
1 118 . 16 1 1 A 20 20 LYS N N 20 123.570 121.483 2.087 1
1 119 . 16 1 1 A 20 20 LYS H H 20 8.091 7.972 0.119 1
1 120 . 16 1 1 A 20 20 LYS CA C 20 58.371 55.212 3.159 1
1 121 . 16 1 1 A 20 20 LYS HA H 20 3.934 4.594 -0.660 1
1 122 . 16 1 1 A 20 20 LYS CB C 20 33.556 33.926 -0.370 1
1 130 . 16 1 1 A 20 20 LYS C C 20 173.490 174.987 -1.497 1
1 135 . 16 1 1 A 21 21 ALA N N 21 124.602 124.818 -0.216 1
1 136 . 16 1 1 A 21 21 ALA H H 21 7.707 8.039 -0.332 1
1 137 . 16 1 1 A 21 21 ALA CA C 21 50.258 49.624 0.634 1
1 138 . 16 1 1 A 21 21 ALA HA H 21 5.182 5.529 -0.347 1
1 139 . 16 1 1 A 21 21 ALA CB C 21 22.647 22.693 -0.046 1
1 143 . 16 1 1 A 21 21 ALA C C 21 176.452 175.143 1.309 1
1 144 . 16 1 1 A 22 22 PHE N N 22 117.531 116.302 1.229 1
1 145 . 16 1 1 A 22 22 PHE H H 22 8.993 8.628 0.365 1
1 146 . 16 1 1 A 22 22 PHE CA C 22 57.291 56.699 0.592 1
1 147 . 16 1 1 A 22 22 PHE HA H 22 4.681 4.939 -0.258 1
1 148 . 16 1 1 A 22 22 PHE CB C 22 43.492 42.933 0.559 1
1 160 . 16 1 1 A 22 22 PHE C C 22 175.518 176.012 -0.494 1
1 162 . 16 1 1 A 23 23 GLY N N 23 108.429 111.905 -3.476 1
1 163 . 16 1 1 A 23 23 GLY H H 23 9.218 8.913 0.305 1
1 164 . 16 1 1 A 23 23 GLY CA C 23 46.310 47.005 -0.695 1
1 165 . 16 1 1 A 23 23 GLY HA3 H 23 4.441 4.034 0.407 1
1 166 . 16 1 1 A 23 23 GLY C C 23 173.456 174.339 -0.883 1
1 167 . 16 1 1 A 23 23 GLY HA2 H 23 4.101 3.966 0.135 1
1 168 . 16 1 1 A 24 24 LEU N N 24 117.612 121.245 -3.633 1
1 169 . 16 1 1 A 24 24 LEU H H 24 7.590 7.885 -0.295 1
1 170 . 16 1 1 A 24 24 LEU CA C 24 53.046 53.234 -0.188 1
1 171 . 16 1 1 A 24 24 LEU HA H 24 4.876 4.805 0.071 1
1 172 . 16 1 1 A 24 24 LEU CB C 24 45.217 44.392 0.825 1
1 184 . 16 1 1 A 24 24 LEU C C 24 177.375 176.787 0.588 1
1 186 . 16 1 1 A 25 25 SER N N 25 121.264 116.028 5.236 1
1 187 . 16 1 1 A 25 25 SER H H 25 8.392 8.655 -0.263 1
1 188 . 16 1 1 A 25 25 SER CA C 25 61.134 61.007 0.127 1
1 189 . 16 1 1 A 25 25 SER HA H 25 3.053 3.304 -0.251 1
1 190 . 16 1 1 A 25 25 SER CB C 25 61.763 62.581 -0.818 1
1 193 . 16 1 1 A 26 26 ALA N N 26 120.264 122.619 -2.355 1
1 194 . 16 1 1 A 26 26 ALA H H 26 8.540 8.080 0.460 1
1 195 . 16 1 1 A 26 26 ALA CA C 26 54.998 55.183 -0.185 1
1 196 . 16 1 1 A 26 26 ALA HA H 26 3.941 3.862 0.079 1
1 197 . 16 1 1 A 26 26 ALA CB C 26 18.632 18.481 0.151 1
1 201 . 16 1 1 A 26 26 ALA C C 26 180.701 180.142 0.559 1
1 202 . 16 1 1 A 27 27 GLU N N 27 114.495 118.128 -3.633 1
1 203 . 16 1 1 A 27 27 GLU H H 27 6.760 8.040 -1.280 1
1 204 . 16 1 1 A 27 27 GLU CA C 27 58.170 59.209 -1.039 1
1 205 . 16 1 1 A 27 27 GLU HA H 27 3.847 3.986 -0.139 1
1 206 . 16 1 1 A 27 27 GLU CB C 27 30.158 29.302 0.856 1
1 210 . 16 1 1 A 27 27 GLU C C 27 178.856 178.973 -0.117 1
1 213 . 16 1 1 A 28 28 LEU N N 28 121.928 121.421 0.507 1
1 214 . 16 1 1 A 28 28 LEU H H 28 6.961 7.182 -0.221 1
1 215 . 16 1 1 A 28 28 LEU CA C 28 57.950 57.224 0.726 1
1 216 . 16 1 1 A 28 28 LEU HA H 28 3.347 2.520 0.827 1
1 217 . 16 1 1 A 28 28 LEU CB C 28 40.130 41.350 -1.220 1
1 229 . 16 1 1 A 28 28 LEU C C 28 177.702 178.179 -0.477 1
1 231 . 16 1 1 A 29 29 VAL N N 29 119.082 119.124 -0.042 1
1 232 . 16 1 1 A 29 29 VAL H H 29 8.093 7.843 0.250 1
1 233 . 16 1 1 A 29 29 VAL CA C 29 66.576 66.521 0.055 1
1 234 . 16 1 1 A 29 29 VAL HA H 29 3.614 3.412 0.202 1
1 235 . 16 1 1 A 29 29 VAL CB C 29 31.696 31.214 0.482 1
1 245 . 16 1 1 A 29 29 VAL C C 29 178.880 177.684 1.196 1
1 246 . 16 1 1 A 30 30 ARG N N 30 117.780 119.180 -1.400 1
1 247 . 16 1 1 A 30 30 ARG H H 30 7.334 8.214 -0.880 1
1 248 . 16 1 1 A 30 30 ARG CA C 30 59.465 59.315 0.150 1
1 249 . 16 1 1 A 30 30 ARG HA H 30 3.919 3.974 -0.055 1
1 250 . 16 1 1 A 30 30 ARG CB C 30 30.372 29.690 0.682 1
1 255 . 16 1 1 A 30 30 ARG C C 30 178.976 178.506 0.470 1
1 259 . 16 1 1 A 31 31 HIS N N 31 118.952 121.431 -2.479 1
1 260 . 16 1 1 A 31 31 HIS H H 31 7.707 7.703 0.004 1
1 261 . 16 1 1 A 31 31 HIS CA C 31 59.106 59.198 -0.092 1
1 262 . 16 1 1 A 31 31 HIS HA H 31 4.197 4.171 0.026 1
1 263 . 16 1 1 A 31 31 HIS CB C 31 28.625 29.732 -1.107 1
1 269 . 16 1 1 A 31 31 HIS C C 31 176.294 177.402 -1.108 1
1 271 . 16 1 1 A 32 32 GLN N N 32 114.837 117.829 -2.992 1
1 272 . 16 1 1 A 32 32 GLN H H 32 8.512 8.047 0.465 1
1 273 . 16 1 1 A 32 32 GLN CA C 32 59.527 58.426 1.101 1
1 274 . 16 1 1 A 32 32 GLN HA H 32 3.682 3.547 0.135 1
1 275 . 16 1 1 A 32 32 GLN CB C 32 28.414 28.011 0.403 1
1 282 . 16 1 1 A 32 32 GLN C C 32 177.046 178.587 -1.541 1
1 285 . 16 1 1 A 33 33 ARG N N 33 117.734 119.361 -1.627 1
1 286 . 16 1 1 A 33 33 ARG H H 33 7.088 7.946 -0.858 1
1 287 . 16 1 1 A 33 33 ARG CA C 33 58.432 58.915 -0.483 1
1 288 . 16 1 1 A 33 33 ARG HA H 33 4.115 4.008 0.107 1
1 289 . 16 1 1 A 33 33 ARG CB C 33 30.016 29.752 0.264 1
1 294 . 16 1 1 A 33 33 ARG C C 33 178.394 178.915 -0.521 1
1 298 . 16 1 1 A 34 34 ILE N N 34 115.478 116.894 -1.416 1
1 299 . 16 1 1 A 34 34 ILE H H 34 7.677 7.339 0.338 1
1 300 . 16 1 1 A 34 34 ILE CA C 34 63.060 63.274 -0.214 1
1 301 . 16 1 1 A 34 34 ILE HA H 34 3.947 3.769 0.178 1
1 302 . 16 1 1 A 34 34 ILE CB C 34 37.660 37.199 0.461 1
1 314 . 16 1 1 A 34 34 ILE C C 34 177.059 176.923 0.136 1
1 316 . 16 1 1 A 35 35 HIS N N 35 117.439 119.246 -1.807 1
1 317 . 16 1 1 A 35 35 HIS H H 35 7.180 7.658 -0.478 1
1 318 . 16 1 1 A 35 35 HIS CA C 35 54.820 57.793 -2.973 1
1 319 . 16 1 1 A 35 35 HIS HA H 35 4.666 4.247 0.419 1
1 320 . 16 1 1 A 35 35 HIS CB C 35 28.012 30.642 -2.630 1
1 326 . 16 1 1 A 35 35 HIS C C 35 175.578 175.150 0.428 1
1 328 . 16 1 1 A 36 36 THR N N 36 111.209 109.021 2.188 1
1 329 . 16 1 1 A 36 36 THR H H 36 7.590 7.536 0.054 1
1 330 . 16 1 1 A 36 36 THR CA C 36 62.494 60.495 1.999 1
1 331 . 16 1 1 A 36 36 THR HA H 36 4.246 4.612 -0.366 1
1 332 . 16 1 1 A 36 36 THR CB C 36 69.710 70.399 -0.689 1
1 338 . 16 1 1 A 36 36 THR C C 36 175.421 173.784 1.637 1
1 339 . 16 1 1 A 37 37 GLY N N 37 110.931 111.208 -0.277 1
1 340 . 16 1 1 A 37 37 GLY H H 37 8.251 8.223 0.028 1
1 341 . 16 1 1 A 37 37 GLY CA C 37 45.328 44.745 0.583 1
1 342 . 16 1 1 A 37 37 GLY HA3 H 37 4.007 4.085 -0.078 1
1 343 . 16 1 1 A 37 37 GLY HA2 H 37 3.933 4.074 -0.141 1
1 344 . 16 1 1 A 38 38 GLU N N 38 120.496 123.077 -2.581 1
1 345 . 16 1 1 A 38 38 GLU H H 38 8.060 8.369 -0.309 1
1 346 . 16 1 1 A 38 38 GLU CA C 38 56.420 55.228 1.192 1
1 347 . 16 1 1 A 38 38 GLU HA H 38 4.251 4.851 -0.600 1
1 348 . 16 1 1 A 38 38 GLU CB C 38 30.580 32.030 -1.450 1
1 354 . 16 1 1 A 39 39 LYS N N 39 123.793 120.958 2.835 1
1 355 . 16 1 1 A 39 39 LYS H H 39 8.427 8.456 -0.029 1
1 356 . 16 1 1 A 39 39 LYS CA C 39 54.155 53.669 0.486 1
1 357 . 16 1 1 A 39 39 LYS HA H 39 4.574 5.008 -0.434 1
1 358 . 16 1 1 A 39 39 LYS CB C 39 32.536 33.174 -0.638 1
1 370 . 16 1 1 A 40 40 PRO CA C 40 63.229 64.801 -1.572 1
1 371 . 16 1 1 A 40 40 PRO HA H 40 4.432 4.446 -0.014 1
1 372 . 16 1 1 A 40 40 PRO CB C 40 32.117 32.060 0.057 1
1 381 . 16 1 1 A 41 41 SER N N 41 116.420 113.125 3.295 1
1 382 . 16 1 1 A 41 41 SER H H 41 8.435 7.761 0.674 1
1 383 . 16 1 1 A 43 43 PRO CA C 43 63.289 62.758 0.531 1
1 384 . 16 1 1 A 43 43 PRO HA H 43 4.477 4.716 -0.239 1
1 385 . 16 1 1 A 43 43 PRO CB C 43 32.212 31.933 0.279 1
1 394 . 16 1 1 A 45 45 SER CA C 45 58.417 60.767 -2.350 1
1 395 . 16 1 1 A 45 45 SER HA H 45 4.517 4.339 0.178 1
1 396 . 16 1 1 A 45 45 SER CB C 45 63.947 63.742 0.205 1
1 397 . 16 1 1 A 45 45 SER C C 45 173.927 174.757 -0.830 1
1 1 . 17 1 1 A 9 9 GLY CA C 9 45.457 45.102 0.355 1
1 2 . 17 1 1 A 9 9 GLY HA2 H 9 3.947 3.969 -0.022 1
1 3 . 17 1 1 A 10 10 GLU N N 10 120.021 121.421 -1.400 1
1 4 . 17 1 1 A 10 10 GLU H H 10 8.232 7.940 0.292 1
1 5 . 17 1 1 A 10 10 GLU CA C 10 56.989 57.575 -0.586 1
1 6 . 17 1 1 A 10 10 GLU HA H 10 4.186 4.263 -0.077 1
1 7 . 17 1 1 A 10 10 GLU CB C 10 30.382 30.183 0.199 1
1 13 . 17 1 1 A 11 11 LYS N N 11 121.247 124.918 -3.671 1
1 14 . 17 1 1 A 11 11 LYS H H 11 8.262 8.418 -0.156 1
1 15 . 17 1 1 A 11 11 LYS CA C 11 53.662 55.029 -1.367 1
1 16 . 17 1 1 A 11 11 LYS HA H 11 4.556 4.283 0.273 1
1 17 . 17 1 1 A 11 11 LYS CB C 11 33.383 31.952 1.431 1
1 29 . 17 1 1 A 12 12 PRO CA C 12 63.504 65.038 -1.534 1
1 30 . 17 1 1 A 12 12 PRO HA H 12 4.297 4.317 -0.020 1
1 31 . 17 1 1 A 12 12 PRO CB C 12 32.319 31.557 0.762 1
1 37 . 17 1 1 A 12 12 PRO C C 12 176.573 175.993 0.580 1
1 41 . 17 1 1 A 13 13 TYR N N 13 119.490 117.845 1.645 1
1 42 . 17 1 1 A 13 13 TYR H H 13 7.903 7.752 0.151 1
1 43 . 17 1 1 A 13 13 TYR CA C 13 57.922 58.242 -0.320 1
1 44 . 17 1 1 A 13 13 TYR HA H 13 4.582 4.677 -0.095 1
1 45 . 17 1 1 A 13 13 TYR CB C 13 37.887 38.598 -0.711 1
1 55 . 17 1 1 A 13 13 TYR C C 13 174.376 176.244 -1.868 1
1 57 . 17 1 1 A 14 14 VAL N N 14 125.513 123.019 2.494 1
1 58 . 17 1 1 A 14 14 VAL H H 14 8.446 8.966 -0.520 1
1 59 . 17 1 1 A 14 14 VAL CA C 14 61.477 60.706 0.771 1
1 60 . 17 1 1 A 14 14 VAL HA H 14 4.552 4.907 -0.355 1
1 61 . 17 1 1 A 14 14 VAL CB C 14 34.386 35.115 -0.729 1
1 71 . 17 1 1 A 14 14 VAL C C 14 175.372 175.088 0.284 1
1 72 . 17 1 1 A 15 15 CYS N N 15 129.259 126.983 2.276 1
1 73 . 17 1 1 A 15 15 CYS H H 15 9.292 9.433 -0.141 1
1 74 . 17 1 1 A 15 15 CYS CA C 15 60.158 59.610 0.548 1
1 75 . 17 1 1 A 15 15 CYS HA H 15 4.513 4.752 -0.239 1
1 76 . 17 1 1 A 15 15 CYS CB C 15 29.975 28.839 1.136 1
1 78 . 17 1 1 A 15 15 CYS C C 15 176.962 174.486 2.476 1
1 80 . 17 1 1 A 16 16 ASP N N 16 115.898 125.485 -9.587 1
1 81 . 17 1 1 A 16 16 ASP H H 16 9.396 8.982 0.414 1
1 82 . 17 1 1 A 16 16 ASP CA C 16 56.513 55.660 0.853 1
1 83 . 17 1 1 A 16 16 ASP HA H 16 4.402 4.748 -0.346 1
1 84 . 17 1 1 A 16 16 ASP CB C 16 40.801 41.272 -0.471 1
1 86 . 17 1 1 A 16 16 ASP C C 16 176.136 177.211 -1.075 1
1 88 . 17 1 1 A 17 17 TYR N N 17 119.369 121.945 -2.576 1
1 89 . 17 1 1 A 17 17 TYR H H 17 8.841 7.758 1.083 1
1 90 . 17 1 1 A 17 17 TYR CA C 17 60.339 62.123 -1.784 1
1 91 . 17 1 1 A 17 17 TYR HA H 17 4.242 3.945 0.297 1
1 92 . 17 1 1 A 17 17 TYR CB C 17 37.705 38.505 -0.800 1
1 102 . 17 1 1 A 17 17 TYR C C 17 177.144 177.826 -0.682 1
1 104 . 17 1 1 A 18 18 CYS N N 18 114.506 116.180 -1.674 1
1 105 . 17 1 1 A 18 18 CYS H H 18 7.999 7.595 0.404 1
1 106 . 17 1 1 A 18 18 CYS CA C 18 58.405 59.820 -1.415 1
1 107 . 17 1 1 A 18 18 CYS HA H 18 5.187 4.656 0.531 1
1 108 . 17 1 1 A 18 18 CYS CB C 18 32.949 29.555 3.394 1
1 110 . 17 1 1 A 18 18 CYS C C 18 176.258 175.315 0.943 1
1 112 . 17 1 1 A 19 19 GLY N N 19 113.706 110.392 3.314 1
1 113 . 17 1 1 A 19 19 GLY H H 19 8.288 8.194 0.094 1
1 114 . 17 1 1 A 19 19 GLY CA C 19 46.197 45.117 1.080 1
1 115 . 17 1 1 A 19 19 GLY HA3 H 19 4.220 4.109 0.111 1
1 116 . 17 1 1 A 19 19 GLY C C 19 173.563 174.722 -1.159 1
1 117 . 17 1 1 A 19 19 GLY HA2 H 19 3.750 4.087 -0.337 1
1 118 . 17 1 1 A 20 20 LYS N N 20 123.570 122.384 1.186 1
1 119 . 17 1 1 A 20 20 LYS H H 20 8.091 7.681 0.410 1
1 120 . 17 1 1 A 20 20 LYS CA C 20 58.371 56.007 2.364 1
1 121 . 17 1 1 A 20 20 LYS HA H 20 3.934 4.163 -0.229 1
1 122 . 17 1 1 A 20 20 LYS CB C 20 33.556 33.392 0.164 1
1 130 . 17 1 1 A 20 20 LYS C C 20 173.490 175.204 -1.714 1
1 135 . 17 1 1 A 21 21 ALA N N 21 124.602 126.727 -2.125 1
1 136 . 17 1 1 A 21 21 ALA H H 21 7.707 8.054 -0.347 1
1 137 . 17 1 1 A 21 21 ALA CA C 21 50.258 49.741 0.517 1
1 138 . 17 1 1 A 21 21 ALA HA H 21 5.182 5.466 -0.284 1
1 139 . 17 1 1 A 21 21 ALA CB C 21 22.647 22.742 -0.095 1
1 143 . 17 1 1 A 21 21 ALA C C 21 176.452 175.643 0.809 1
1 144 . 17 1 1 A 22 22 PHE N N 22 117.531 117.491 0.040 1
1 145 . 17 1 1 A 22 22 PHE H H 22 8.993 9.130 -0.137 1
1 146 . 17 1 1 A 22 22 PHE CA C 22 57.291 56.552 0.739 1
1 147 . 17 1 1 A 22 22 PHE HA H 22 4.681 4.851 -0.170 1
1 148 . 17 1 1 A 22 22 PHE CB C 22 43.492 43.405 0.087 1
1 160 . 17 1 1 A 22 22 PHE C C 22 175.518 176.008 -0.490 1
1 162 . 17 1 1 A 23 23 GLY N N 23 108.429 112.443 -4.014 1
1 163 . 17 1 1 A 23 23 GLY H H 23 9.218 9.081 0.137 1
1 164 . 17 1 1 A 23 23 GLY CA C 23 46.310 45.742 0.568 1
1 165 . 17 1 1 A 23 23 GLY HA3 H 23 4.441 4.054 0.387 1
1 166 . 17 1 1 A 23 23 GLY C C 23 173.456 173.799 -0.343 1
1 167 . 17 1 1 A 23 23 GLY HA2 H 23 4.101 3.970 0.131 1
1 168 . 17 1 1 A 24 24 LEU N N 24 117.612 120.269 -2.657 1
1 169 . 17 1 1 A 24 24 LEU H H 24 7.590 7.688 -0.098 1
1 170 . 17 1 1 A 24 24 LEU CA C 24 53.046 54.192 -1.146 1
1 171 . 17 1 1 A 24 24 LEU HA H 24 4.876 4.521 0.355 1
1 172 . 17 1 1 A 24 24 LEU CB C 24 45.217 44.597 0.620 1
1 184 . 17 1 1 A 24 24 LEU C C 24 177.375 175.975 1.400 1
1 186 . 17 1 1 A 25 25 SER N N 25 121.264 120.440 0.824 1
1 187 . 17 1 1 A 25 25 SER H H 25 8.392 8.129 0.263 1
1 188 . 17 1 1 A 25 25 SER CA C 25 61.134 61.123 0.011 1
1 189 . 17 1 1 A 25 25 SER HA H 25 3.053 3.200 -0.147 1
1 190 . 17 1 1 A 25 25 SER CB C 25 61.763 62.681 -0.918 1
1 193 . 17 1 1 A 26 26 ALA N N 26 120.264 121.969 -1.705 1
1 194 . 17 1 1 A 26 26 ALA H H 26 8.540 8.079 0.461 1
1 195 . 17 1 1 A 26 26 ALA CA C 26 54.998 55.162 -0.164 1
1 196 . 17 1 1 A 26 26 ALA HA H 26 3.941 3.924 0.017 1
1 197 . 17 1 1 A 26 26 ALA CB C 26 18.632 18.343 0.289 1
1 201 . 17 1 1 A 26 26 ALA C C 26 180.701 180.107 0.594 1
1 202 . 17 1 1 A 27 27 GLU N N 27 114.495 117.916 -3.421 1
1 203 . 17 1 1 A 27 27 GLU H H 27 6.760 7.705 -0.945 1
1 204 . 17 1 1 A 27 27 GLU CA C 27 58.170 59.070 -0.900 1
1 205 . 17 1 1 A 27 27 GLU HA H 27 3.847 3.804 0.043 1
1 206 . 17 1 1 A 27 27 GLU CB C 27 30.158 29.081 1.077 1
1 210 . 17 1 1 A 27 27 GLU C C 27 178.856 178.651 0.205 1
1 213 . 17 1 1 A 28 28 LEU N N 28 121.928 122.034 -0.106 1
1 214 . 17 1 1 A 28 28 LEU H H 28 6.961 7.503 -0.542 1
1 215 . 17 1 1 A 28 28 LEU CA C 28 57.950 58.039 -0.089 1
1 216 . 17 1 1 A 28 28 LEU HA H 28 3.347 3.565 -0.218 1
1 217 . 17 1 1 A 28 28 LEU CB C 28 40.130 41.929 -1.799 1
1 229 . 17 1 1 A 28 28 LEU C C 28 177.702 178.393 -0.691 1
1 231 . 17 1 1 A 29 29 VAL N N 29 119.082 119.328 -0.246 1
1 232 . 17 1 1 A 29 29 VAL H H 29 8.093 8.303 -0.210 1
1 233 . 17 1 1 A 29 29 VAL CA C 29 66.576 66.701 -0.125 1
1 234 . 17 1 1 A 29 29 VAL HA H 29 3.614 3.464 0.150 1
1 235 . 17 1 1 A 29 29 VAL CB C 29 31.696 31.236 0.460 1
1 245 . 17 1 1 A 29 29 VAL C C 29 178.880 178.279 0.601 1
1 246 . 17 1 1 A 30 30 ARG N N 30 117.780 119.024 -1.244 1
1 247 . 17 1 1 A 30 30 ARG H H 30 7.334 7.672 -0.338 1
1 248 . 17 1 1 A 30 30 ARG CA C 30 59.465 57.833 1.632 1
1 249 . 17 1 1 A 30 30 ARG HA H 30 3.919 4.136 -0.217 1
1 250 . 17 1 1 A 30 30 ARG CB C 30 30.372 30.341 0.031 1
1 255 . 17 1 1 A 30 30 ARG C C 30 178.976 178.493 0.483 1
1 259 . 17 1 1 A 31 31 HIS N N 31 118.952 121.495 -2.543 1
1 260 . 17 1 1 A 31 31 HIS H H 31 7.707 8.047 -0.340 1
1 261 . 17 1 1 A 31 31 HIS CA C 31 59.106 59.100 0.006 1
1 262 . 17 1 1 A 31 31 HIS HA H 31 4.197 4.059 0.138 1
1 263 . 17 1 1 A 31 31 HIS CB C 31 28.625 29.647 -1.022 1
1 269 . 17 1 1 A 31 31 HIS C C 31 176.294 177.417 -1.123 1
1 271 . 17 1 1 A 32 32 GLN N N 32 114.837 117.509 -2.672 1
1 272 . 17 1 1 A 32 32 GLN H H 32 8.512 8.070 0.442 1
1 273 . 17 1 1 A 32 32 GLN CA C 32 59.527 58.869 0.658 1
1 274 . 17 1 1 A 32 32 GLN HA H 32 3.682 3.689 -0.007 1
1 275 . 17 1 1 A 32 32 GLN CB C 32 28.414 28.251 0.163 1
1 282 . 17 1 1 A 32 32 GLN C C 32 177.046 178.701 -1.655 1
1 285 . 17 1 1 A 33 33 ARG N N 33 117.734 119.508 -1.774 1
1 286 . 17 1 1 A 33 33 ARG H H 33 7.088 7.938 -0.850 1
1 287 . 17 1 1 A 33 33 ARG CA C 33 58.432 58.946 -0.514 1
1 288 . 17 1 1 A 33 33 ARG HA H 33 4.115 4.108 0.007 1
1 289 . 17 1 1 A 33 33 ARG CB C 33 30.016 29.674 0.342 1
1 294 . 17 1 1 A 33 33 ARG C C 33 178.394 179.109 -0.715 1
1 298 . 17 1 1 A 34 34 ILE N N 34 115.478 117.246 -1.768 1
1 299 . 17 1 1 A 34 34 ILE H H 34 7.677 7.555 0.122 1
1 300 . 17 1 1 A 34 34 ILE CA C 34 63.060 63.469 -0.409 1
1 301 . 17 1 1 A 34 34 ILE HA H 34 3.947 3.669 0.278 1
1 302 . 17 1 1 A 34 34 ILE CB C 34 37.660 37.300 0.360 1
1 314 . 17 1 1 A 34 34 ILE C C 34 177.059 176.637 0.422 1
1 316 . 17 1 1 A 35 35 HIS N N 35 117.439 119.265 -1.826 1
1 317 . 17 1 1 A 35 35 HIS H H 35 7.180 7.251 -0.071 1
1 318 . 17 1 1 A 35 35 HIS CA C 35 54.820 57.478 -2.658 1
1 319 . 17 1 1 A 35 35 HIS HA H 35 4.666 4.108 0.558 1
1 320 . 17 1 1 A 35 35 HIS CB C 35 28.012 30.757 -2.745 1
1 326 . 17 1 1 A 35 35 HIS C C 35 175.578 175.241 0.337 1
1 328 . 17 1 1 A 36 36 THR N N 36 111.209 109.369 1.840 1
1 329 . 17 1 1 A 36 36 THR H H 36 7.590 7.891 -0.301 1
1 330 . 17 1 1 A 36 36 THR CA C 36 62.494 60.853 1.641 1
1 331 . 17 1 1 A 36 36 THR HA H 36 4.246 4.598 -0.352 1
1 332 . 17 1 1 A 36 36 THR CB C 36 69.710 70.270 -0.560 1
1 338 . 17 1 1 A 36 36 THR C C 36 175.421 173.684 1.737 1
1 339 . 17 1 1 A 37 37 GLY N N 37 110.931 109.450 1.481 1
1 340 . 17 1 1 A 37 37 GLY H H 37 8.251 8.274 -0.023 1
1 341 . 17 1 1 A 37 37 GLY CA C 37 45.328 45.534 -0.206 1
1 342 . 17 1 1 A 37 37 GLY HA3 H 37 4.007 4.179 -0.172 1
1 343 . 17 1 1 A 37 37 GLY HA2 H 37 3.933 4.165 -0.232 1
1 344 . 17 1 1 A 38 38 GLU N N 38 120.496 120.970 -0.474 1
1 345 . 17 1 1 A 38 38 GLU H H 38 8.060 8.423 -0.363 1
1 346 . 17 1 1 A 38 38 GLU CA C 38 56.420 54.553 1.867 1
1 347 . 17 1 1 A 38 38 GLU HA H 38 4.251 5.259 -1.008 1
1 348 . 17 1 1 A 38 38 GLU CB C 38 30.580 33.978 -3.398 1
1 354 . 17 1 1 A 39 39 LYS N N 39 123.793 119.130 4.663 1
1 355 . 17 1 1 A 39 39 LYS H H 39 8.427 8.505 -0.078 1
1 356 . 17 1 1 A 39 39 LYS CA C 39 54.155 53.638 0.517 1
1 357 . 17 1 1 A 39 39 LYS HA H 39 4.574 4.742 -0.168 1
1 358 . 17 1 1 A 39 39 LYS CB C 39 32.536 32.223 0.313 1
1 370 . 17 1 1 A 40 40 PRO CA C 40 63.229 65.451 -2.222 1
1 371 . 17 1 1 A 40 40 PRO HA H 40 4.432 4.304 0.128 1
1 372 . 17 1 1 A 40 40 PRO CB C 40 32.117 31.457 0.660 1
1 381 . 17 1 1 A 41 41 SER N N 41 116.420 113.022 3.398 1
1 382 . 17 1 1 A 41 41 SER H H 41 8.435 8.489 -0.054 1
1 383 . 17 1 1 A 43 43 PRO CA C 43 63.289 62.603 0.686 1
1 384 . 17 1 1 A 43 43 PRO HA H 43 4.477 4.667 -0.190 1
1 385 . 17 1 1 A 43 43 PRO CB C 43 32.212 31.458 0.754 1
1 394 . 17 1 1 A 45 45 SER CA C 45 58.417 59.619 -1.202 1
1 395 . 17 1 1 A 45 45 SER HA H 45 4.517 4.254 0.263 1
1 396 . 17 1 1 A 45 45 SER CB C 45 63.947 63.400 0.547 1
1 397 . 17 1 1 A 45 45 SER C C 45 173.927 175.667 -1.740 1
1 1 . 18 1 1 A 9 9 GLY CA C 9 45.457 44.404 1.053 1
1 2 . 18 1 1 A 9 9 GLY HA2 H 9 3.947 4.073 -0.126 1
1 3 . 18 1 1 A 10 10 GLU N N 10 120.021 119.765 0.256 1
1 4 . 18 1 1 A 10 10 GLU H H 10 8.232 8.794 -0.562 1
1 5 . 18 1 1 A 10 10 GLU CA C 10 56.989 55.055 1.934 1
1 6 . 18 1 1 A 10 10 GLU HA H 10 4.186 5.127 -0.941 1
1 7 . 18 1 1 A 10 10 GLU CB C 10 30.382 33.390 -3.008 1
1 13 . 18 1 1 A 11 11 LYS N N 11 121.247 120.960 0.287 1
1 14 . 18 1 1 A 11 11 LYS H H 11 8.262 8.465 -0.203 1
1 15 . 18 1 1 A 11 11 LYS CA C 11 53.662 53.151 0.511 1
1 16 . 18 1 1 A 11 11 LYS HA H 11 4.556 4.880 -0.324 1
1 17 . 18 1 1 A 11 11 LYS CB C 11 33.383 34.782 -1.399 1
1 29 . 18 1 1 A 12 12 PRO CA C 12 63.504 64.512 -1.008 1
1 30 . 18 1 1 A 12 12 PRO HA H 12 4.297 4.354 -0.057 1
1 31 . 18 1 1 A 12 12 PRO CB C 12 32.319 31.839 0.480 1
1 37 . 18 1 1 A 12 12 PRO C C 12 176.573 175.821 0.752 1
1 41 . 18 1 1 A 13 13 TYR N N 13 119.490 117.743 1.747 1
1 42 . 18 1 1 A 13 13 TYR H H 13 7.903 7.960 -0.057 1
1 43 . 18 1 1 A 13 13 TYR CA C 13 57.922 57.080 0.842 1
1 44 . 18 1 1 A 13 13 TYR HA H 13 4.582 4.819 -0.237 1
1 45 . 18 1 1 A 13 13 TYR CB C 13 37.887 37.304 0.583 1
1 55 . 18 1 1 A 13 13 TYR C C 13 174.376 174.649 -0.273 1
1 57 . 18 1 1 A 14 14 VAL N N 14 125.513 124.938 0.575 1
1 58 . 18 1 1 A 14 14 VAL H H 14 8.446 9.024 -0.578 1
1 59 . 18 1 1 A 14 14 VAL CA C 14 61.477 61.378 0.099 1
1 60 . 18 1 1 A 14 14 VAL HA H 14 4.552 5.041 -0.489 1
1 61 . 18 1 1 A 14 14 VAL CB C 14 34.386 33.332 1.054 1
1 71 . 18 1 1 A 14 14 VAL C C 14 175.372 175.816 -0.444 1
1 72 . 18 1 1 A 15 15 CYS N N 15 129.259 127.536 1.723 1
1 73 . 18 1 1 A 15 15 CYS H H 15 9.292 8.891 0.401 1
1 74 . 18 1 1 A 15 15 CYS CA C 15 60.158 59.957 0.201 1
1 75 . 18 1 1 A 15 15 CYS HA H 15 4.513 4.513 0.000 1
1 76 . 18 1 1 A 15 15 CYS CB C 15 29.975 28.948 1.027 1
1 78 . 18 1 1 A 15 15 CYS C C 15 176.962 174.765 2.197 1
1 80 . 18 1 1 A 16 16 ASP N N 16 115.898 125.520 -9.622 1
1 81 . 18 1 1 A 16 16 ASP H H 16 9.396 9.001 0.395 1
1 82 . 18 1 1 A 16 16 ASP CA C 16 56.513 55.017 1.496 1
1 83 . 18 1 1 A 16 16 ASP HA H 16 4.402 4.769 -0.367 1
1 84 . 18 1 1 A 16 16 ASP CB C 16 40.801 41.774 -0.973 1
1 86 . 18 1 1 A 16 16 ASP C C 16 176.136 176.869 -0.733 1
1 88 . 18 1 1 A 17 17 TYR N N 17 119.369 122.464 -3.095 1
1 89 . 18 1 1 A 17 17 TYR H H 17 8.841 7.566 1.275 1
1 90 . 18 1 1 A 17 17 TYR CA C 17 60.339 61.406 -1.067 1
1 91 . 18 1 1 A 17 17 TYR HA H 17 4.242 3.997 0.245 1
1 92 . 18 1 1 A 17 17 TYR CB C 17 37.705 38.692 -0.987 1
1 102 . 18 1 1 A 17 17 TYR C C 17 177.144 177.203 -0.059 1
1 104 . 18 1 1 A 18 18 CYS N N 18 114.506 115.461 -0.955 1
1 105 . 18 1 1 A 18 18 CYS H H 18 7.999 7.462 0.537 1
1 106 . 18 1 1 A 18 18 CYS CA C 18 58.405 59.356 -0.951 1
1 107 . 18 1 1 A 18 18 CYS HA H 18 5.187 4.738 0.449 1
1 108 . 18 1 1 A 18 18 CYS CB C 18 32.949 30.260 2.689 1
1 110 . 18 1 1 A 18 18 CYS C C 18 176.258 175.609 0.649 1
1 112 . 18 1 1 A 19 19 GLY N N 19 113.706 109.792 3.914 1
1 113 . 18 1 1 A 19 19 GLY H H 19 8.288 8.561 -0.273 1
1 114 . 18 1 1 A 19 19 GLY CA C 19 46.197 45.941 0.256 1
1 115 . 18 1 1 A 19 19 GLY HA3 H 19 4.220 4.037 0.183 1
1 116 . 18 1 1 A 19 19 GLY C C 19 173.563 173.875 -0.312 1
1 117 . 18 1 1 A 19 19 GLY HA2 H 19 3.750 4.004 -0.254 1
1 118 . 18 1 1 A 20 20 LYS N N 20 123.570 122.792 0.778 1
1 119 . 18 1 1 A 20 20 LYS H H 20 8.091 7.930 0.161 1
1 120 . 18 1 1 A 20 20 LYS CA C 20 58.371 55.003 3.368 1
1 121 . 18 1 1 A 20 20 LYS HA H 20 3.934 4.800 -0.866 1
1 122 . 18 1 1 A 20 20 LYS CB C 20 33.556 35.787 -2.231 1
1 130 . 18 1 1 A 20 20 LYS C C 20 173.490 174.569 -1.079 1
1 135 . 18 1 1 A 21 21 ALA N N 21 124.602 127.681 -3.079 1
1 136 . 18 1 1 A 21 21 ALA H H 21 7.707 8.680 -0.973 1
1 137 . 18 1 1 A 21 21 ALA CA C 21 50.258 52.219 -1.961 1
1 138 . 18 1 1 A 21 21 ALA HA H 21 5.182 4.466 0.716 1
1 139 . 18 1 1 A 21 21 ALA CB C 21 22.647 19.485 3.162 1
1 143 . 18 1 1 A 21 21 ALA C C 21 176.452 176.513 -0.061 1
1 144 . 18 1 1 A 22 22 PHE N N 22 117.531 121.806 -4.275 1
1 145 . 18 1 1 A 22 22 PHE H H 22 8.993 8.747 0.246 1
1 146 . 18 1 1 A 22 22 PHE CA C 22 57.291 59.402 -2.111 1
1 147 . 18 1 1 A 22 22 PHE HA H 22 4.681 4.722 -0.041 1
1 148 . 18 1 1 A 22 22 PHE CB C 22 43.492 40.679 2.813 1
1 160 . 18 1 1 A 22 22 PHE C C 22 175.518 176.308 -0.790 1
1 162 . 18 1 1 A 23 23 GLY N N 23 108.429 107.200 1.229 1
1 163 . 18 1 1 A 23 23 GLY H H 23 9.218 8.421 0.797 1
1 164 . 18 1 1 A 23 23 GLY CA C 23 46.310 45.577 0.733 1
1 165 . 18 1 1 A 23 23 GLY HA3 H 23 4.441 4.302 0.139 1
1 166 . 18 1 1 A 23 23 GLY C C 23 173.456 173.884 -0.428 1
1 167 . 18 1 1 A 23 23 GLY HA2 H 23 4.101 4.147 -0.046 1
1 168 . 18 1 1 A 24 24 LEU N N 24 117.612 122.294 -4.682 1
1 169 . 18 1 1 A 24 24 LEU H H 24 7.590 8.012 -0.422 1
1 170 . 18 1 1 A 24 24 LEU CA C 24 53.046 53.746 -0.700 1
1 171 . 18 1 1 A 24 24 LEU HA H 24 4.876 4.122 0.754 1
1 172 . 18 1 1 A 24 24 LEU CB C 24 45.217 42.959 2.258 1
1 184 . 18 1 1 A 24 24 LEU C C 24 177.375 176.541 0.834 1
1 186 . 18 1 1 A 25 25 SER N N 25 121.264 120.890 0.374 1
1 187 . 18 1 1 A 25 25 SER H H 25 8.392 7.863 0.529 1
1 188 . 18 1 1 A 25 25 SER CA C 25 61.134 61.344 -0.210 1
1 189 . 18 1 1 A 25 25 SER HA H 25 3.053 3.687 -0.634 1
1 190 . 18 1 1 A 25 25 SER CB C 25 61.763 62.888 -1.125 1
1 193 . 18 1 1 A 26 26 ALA N N 26 120.264 121.924 -1.660 1
1 194 . 18 1 1 A 26 26 ALA H H 26 8.540 7.995 0.545 1
1 195 . 18 1 1 A 26 26 ALA CA C 26 54.998 55.147 -0.149 1
1 196 . 18 1 1 A 26 26 ALA HA H 26 3.941 3.942 -0.001 1
1 197 . 18 1 1 A 26 26 ALA CB C 26 18.632 18.516 0.116 1
1 201 . 18 1 1 A 26 26 ALA C C 26 180.701 180.236 0.465 1
1 202 . 18 1 1 A 27 27 GLU N N 27 114.495 118.381 -3.886 1
1 203 . 18 1 1 A 27 27 GLU H H 27 6.760 7.779 -1.019 1
1 204 . 18 1 1 A 27 27 GLU CA C 27 58.170 58.986 -0.816 1
1 205 . 18 1 1 A 27 27 GLU HA H 27 3.847 3.899 -0.052 1
1 206 . 18 1 1 A 27 27 GLU CB C 27 30.158 29.254 0.904 1
1 210 . 18 1 1 A 27 27 GLU C C 27 178.856 178.862 -0.006 1
1 213 . 18 1 1 A 28 28 LEU N N 28 121.928 121.871 0.057 1
1 214 . 18 1 1 A 28 28 LEU H H 28 6.961 7.697 -0.736 1
1 215 . 18 1 1 A 28 28 LEU CA C 28 57.950 57.792 0.158 1
1 216 . 18 1 1 A 28 28 LEU HA H 28 3.347 2.895 0.452 1
1 217 . 18 1 1 A 28 28 LEU CB C 28 40.130 41.158 -1.028 1
1 229 . 18 1 1 A 28 28 LEU C C 28 177.702 178.408 -0.706 1
1 231 . 18 1 1 A 29 29 VAL N N 29 119.082 119.153 -0.071 1
1 232 . 18 1 1 A 29 29 VAL H H 29 8.093 8.086 0.007 1
1 233 . 18 1 1 A 29 29 VAL CA C 29 66.576 67.059 -0.483 1
1 234 . 18 1 1 A 29 29 VAL HA H 29 3.614 3.407 0.207 1
1 235 . 18 1 1 A 29 29 VAL CB C 29 31.696 31.462 0.234 1
1 245 . 18 1 1 A 29 29 VAL C C 29 178.880 177.634 1.246 1
1 246 . 18 1 1 A 30 30 ARG N N 30 117.780 118.557 -0.777 1
1 247 . 18 1 1 A 30 30 ARG H H 30 7.334 8.146 -0.812 1
1 248 . 18 1 1 A 30 30 ARG CA C 30 59.465 58.978 0.487 1
1 249 . 18 1 1 A 30 30 ARG HA H 30 3.919 4.034 -0.115 1
1 250 . 18 1 1 A 30 30 ARG CB C 30 30.372 30.173 0.199 1
1 255 . 18 1 1 A 30 30 ARG C C 30 178.976 178.303 0.673 1
1 259 . 18 1 1 A 31 31 HIS N N 31 118.952 121.456 -2.504 1
1 260 . 18 1 1 A 31 31 HIS H H 31 7.707 7.951 -0.244 1
1 261 . 18 1 1 A 31 31 HIS CA C 31 59.106 58.727 0.379 1
1 262 . 18 1 1 A 31 31 HIS HA H 31 4.197 4.120 0.077 1
1 263 . 18 1 1 A 31 31 HIS CB C 31 28.625 30.133 -1.508 1
1 269 . 18 1 1 A 31 31 HIS C C 31 176.294 177.200 -0.906 1
1 271 . 18 1 1 A 32 32 GLN N N 32 114.837 117.762 -2.925 1
1 272 . 18 1 1 A 32 32 GLN H H 32 8.512 8.587 -0.075 1
1 273 . 18 1 1 A 32 32 GLN CA C 32 59.527 58.901 0.626 1
1 274 . 18 1 1 A 32 32 GLN HA H 32 3.682 3.833 -0.151 1
1 275 . 18 1 1 A 32 32 GLN CB C 32 28.414 28.238 0.176 1
1 282 . 18 1 1 A 32 32 GLN C C 32 177.046 178.129 -1.083 1
1 285 . 18 1 1 A 33 33 ARG N N 33 117.734 118.064 -0.330 1
1 286 . 18 1 1 A 33 33 ARG H H 33 7.088 7.547 -0.459 1
1 287 . 18 1 1 A 33 33 ARG CA C 33 58.432 58.867 -0.435 1
1 288 . 18 1 1 A 33 33 ARG HA H 33 4.115 4.031 0.084 1
1 289 . 18 1 1 A 33 33 ARG CB C 33 30.016 29.804 0.212 1
1 294 . 18 1 1 A 33 33 ARG C C 33 178.394 178.022 0.372 1
1 298 . 18 1 1 A 34 34 ILE N N 34 115.478 116.022 -0.544 1
1 299 . 18 1 1 A 34 34 ILE H H 34 7.677 7.937 -0.260 1
1 300 . 18 1 1 A 34 34 ILE CA C 34 63.060 64.004 -0.944 1
1 301 . 18 1 1 A 34 34 ILE HA H 34 3.947 3.677 0.270 1
1 302 . 18 1 1 A 34 34 ILE CB C 34 37.660 37.223 0.437 1
1 314 . 18 1 1 A 34 34 ILE C C 34 177.059 177.419 -0.360 1
1 316 . 18 1 1 A 35 35 HIS N N 35 117.439 119.438 -1.999 1
1 317 . 18 1 1 A 35 35 HIS H H 35 7.180 7.328 -0.148 1
1 318 . 18 1 1 A 35 35 HIS CA C 35 54.820 58.967 -4.147 1
1 319 . 18 1 1 A 35 35 HIS HA H 35 4.666 4.075 0.591 1
1 320 . 18 1 1 A 35 35 HIS CB C 35 28.012 29.716 -1.704 1
1 326 . 18 1 1 A 35 35 HIS C C 35 175.578 175.546 0.032 1
1 328 . 18 1 1 A 36 36 THR N N 36 111.209 111.138 0.071 1
1 329 . 18 1 1 A 36 36 THR H H 36 7.590 8.085 -0.495 1
1 330 . 18 1 1 A 36 36 THR CA C 36 62.494 60.126 2.368 1
1 331 . 18 1 1 A 36 36 THR HA H 36 4.246 4.598 -0.352 1
1 332 . 18 1 1 A 36 36 THR CB C 36 69.710 71.006 -1.296 1
1 338 . 18 1 1 A 36 36 THR C C 36 175.421 173.971 1.450 1
1 339 . 18 1 1 A 37 37 GLY N N 37 110.931 114.657 -3.726 1
1 340 . 18 1 1 A 37 37 GLY H H 37 8.251 8.466 -0.215 1
1 341 . 18 1 1 A 37 37 GLY CA C 37 45.328 45.635 -0.307 1
1 342 . 18 1 1 A 37 37 GLY HA3 H 37 4.007 4.113 -0.106 1
1 343 . 18 1 1 A 37 37 GLY HA2 H 37 3.933 4.101 -0.168 1
1 344 . 18 1 1 A 38 38 GLU N N 38 120.496 118.207 2.289 1
1 345 . 18 1 1 A 38 38 GLU H H 38 8.060 8.217 -0.157 1
1 346 . 18 1 1 A 38 38 GLU CA C 38 56.420 55.886 0.534 1
1 347 . 18 1 1 A 38 38 GLU HA H 38 4.251 4.532 -0.281 1
1 348 . 18 1 1 A 38 38 GLU CB C 38 30.580 30.772 -0.192 1
1 354 . 18 1 1 A 39 39 LYS N N 39 123.793 122.619 1.174 1
1 355 . 18 1 1 A 39 39 LYS H H 39 8.427 8.441 -0.014 1
1 356 . 18 1 1 A 39 39 LYS CA C 39 54.155 53.576 0.579 1
1 357 . 18 1 1 A 39 39 LYS HA H 39 4.574 4.655 -0.081 1
1 358 . 18 1 1 A 39 39 LYS CB C 39 32.536 31.967 0.569 1
1 370 . 18 1 1 A 40 40 PRO CA C 40 63.229 62.260 0.969 1
1 371 . 18 1 1 A 40 40 PRO HA H 40 4.432 4.687 -0.255 1
1 372 . 18 1 1 A 40 40 PRO CB C 40 32.117 29.833 2.284 1
1 381 . 18 1 1 A 41 41 SER N N 41 116.420 115.380 1.040 1
1 382 . 18 1 1 A 41 41 SER H H 41 8.435 8.193 0.242 1
1 383 . 18 1 1 A 43 43 PRO CA C 43 63.289 63.511 -0.222 1
1 384 . 18 1 1 A 43 43 PRO HA H 43 4.477 4.556 -0.079 1
1 385 . 18 1 1 A 43 43 PRO CB C 43 32.212 32.119 0.093 1
1 394 . 18 1 1 A 45 45 SER CA C 45 58.417 58.711 -0.294 1
1 395 . 18 1 1 A 45 45 SER HA H 45 4.517 4.757 -0.240 1
1 396 . 18 1 1 A 45 45 SER CB C 45 63.947 63.537 0.410 1
1 397 . 18 1 1 A 45 45 SER C C 45 173.927 174.608 -0.681 1
1 1 . 19 1 1 A 9 9 GLY CA C 9 45.457 44.953 0.504 1
1 2 . 19 1 1 A 9 9 GLY HA2 H 9 3.947 4.231 -0.284 1
1 3 . 19 1 1 A 10 10 GLU N N 10 120.021 117.332 2.689 1
1 4 . 19 1 1 A 10 10 GLU H H 10 8.232 8.796 -0.564 1
1 5 . 19 1 1 A 10 10 GLU CA C 10 56.989 57.367 -0.378 1
1 6 . 19 1 1 A 10 10 GLU HA H 10 4.186 3.787 0.399 1
1 7 . 19 1 1 A 10 10 GLU CB C 10 30.382 27.810 2.572 1
1 13 . 19 1 1 A 11 11 LYS N N 11 121.247 119.492 1.755 1
1 14 . 19 1 1 A 11 11 LYS H H 11 8.262 7.971 0.291 1
1 15 . 19 1 1 A 11 11 LYS CA C 11 53.662 55.224 -1.562 1
1 16 . 19 1 1 A 11 11 LYS HA H 11 4.556 4.305 0.251 1
1 17 . 19 1 1 A 11 11 LYS CB C 11 33.383 32.108 1.275 1
1 29 . 19 1 1 A 12 12 PRO CA C 12 63.504 64.954 -1.450 1
1 30 . 19 1 1 A 12 12 PRO HA H 12 4.297 4.265 0.032 1
1 31 . 19 1 1 A 12 12 PRO CB C 12 32.319 31.713 0.606 1
1 37 . 19 1 1 A 12 12 PRO C C 12 176.573 175.757 0.816 1
1 41 . 19 1 1 A 13 13 TYR N N 13 119.490 117.574 1.916 1
1 42 . 19 1 1 A 13 13 TYR H H 13 7.903 7.448 0.455 1
1 43 . 19 1 1 A 13 13 TYR CA C 13 57.922 56.920 1.002 1
1 44 . 19 1 1 A 13 13 TYR HA H 13 4.582 4.831 -0.249 1
1 45 . 19 1 1 A 13 13 TYR CB C 13 37.887 38.066 -0.179 1
1 55 . 19 1 1 A 13 13 TYR C C 13 174.376 174.679 -0.303 1
1 57 . 19 1 1 A 14 14 VAL N N 14 125.513 123.490 2.023 1
1 58 . 19 1 1 A 14 14 VAL H H 14 8.446 9.005 -0.559 1
1 59 . 19 1 1 A 14 14 VAL CA C 14 61.477 59.925 1.552 1
1 60 . 19 1 1 A 14 14 VAL HA H 14 4.552 5.254 -0.702 1
1 61 . 19 1 1 A 14 14 VAL CB C 14 34.386 34.571 -0.185 1
1 71 . 19 1 1 A 14 14 VAL C C 14 175.372 174.141 1.231 1
1 72 . 19 1 1 A 15 15 CYS N N 15 129.259 127.066 2.193 1
1 73 . 19 1 1 A 15 15 CYS H H 15 9.292 9.319 -0.027 1
1 74 . 19 1 1 A 15 15 CYS CA C 15 60.158 60.208 -0.050 1
1 75 . 19 1 1 A 15 15 CYS HA H 15 4.513 4.513 0.000 1
1 76 . 19 1 1 A 15 15 CYS CB C 15 29.975 28.618 1.357 1
1 78 . 19 1 1 A 15 15 CYS C C 15 176.962 175.425 1.537 1
1 80 . 19 1 1 A 16 16 ASP N N 16 115.898 128.098 -12.200 1
1 81 . 19 1 1 A 16 16 ASP H H 16 9.396 9.389 0.007 1
1 82 . 19 1 1 A 16 16 ASP CA C 16 56.513 56.905 -0.392 1
1 83 . 19 1 1 A 16 16 ASP HA H 16 4.402 4.488 -0.086 1
1 84 . 19 1 1 A 16 16 ASP CB C 16 40.801 40.859 -0.058 1
1 86 . 19 1 1 A 16 16 ASP C C 16 176.136 177.712 -1.576 1
1 88 . 19 1 1 A 17 17 TYR N N 17 119.369 120.219 -0.850 1
1 89 . 19 1 1 A 17 17 TYR H H 17 8.841 8.255 0.586 1
1 90 . 19 1 1 A 17 17 TYR CA C 17 60.339 62.175 -1.836 1
1 91 . 19 1 1 A 17 17 TYR HA H 17 4.242 3.984 0.258 1
1 92 . 19 1 1 A 17 17 TYR CB C 17 37.705 38.479 -0.774 1
1 102 . 19 1 1 A 17 17 TYR C C 17 177.144 177.926 -0.782 1
1 104 . 19 1 1 A 18 18 CYS N N 18 114.506 115.527 -1.021 1
1 105 . 19 1 1 A 18 18 CYS H H 18 7.999 7.557 0.442 1
1 106 . 19 1 1 A 18 18 CYS CA C 18 58.405 59.771 -1.366 1
1 107 . 19 1 1 A 18 18 CYS HA H 18 5.187 4.703 0.484 1
1 108 . 19 1 1 A 18 18 CYS CB C 18 32.949 29.669 3.280 1
1 110 . 19 1 1 A 18 18 CYS C C 18 176.258 175.365 0.893 1
1 112 . 19 1 1 A 19 19 GLY N N 19 113.706 110.243 3.463 1
1 113 . 19 1 1 A 19 19 GLY H H 19 8.288 8.252 0.036 1
1 114 . 19 1 1 A 19 19 GLY CA C 19 46.197 45.379 0.818 1
1 115 . 19 1 1 A 19 19 GLY HA3 H 19 4.220 4.116 0.104 1
1 116 . 19 1 1 A 19 19 GLY C C 19 173.563 174.163 -0.600 1
1 117 . 19 1 1 A 19 19 GLY HA2 H 19 3.750 4.097 -0.347 1
1 118 . 19 1 1 A 20 20 LYS N N 20 123.570 119.409 4.161 1
1 119 . 19 1 1 A 20 20 LYS H H 20 8.091 7.870 0.221 1
1 120 . 19 1 1 A 20 20 LYS CA C 20 58.371 54.193 4.178 1
1 121 . 19 1 1 A 20 20 LYS HA H 20 3.934 4.442 -0.508 1
1 122 . 19 1 1 A 20 20 LYS CB C 20 33.556 33.749 -0.193 1
1 130 . 19 1 1 A 20 20 LYS C C 20 173.490 175.270 -1.780 1
1 135 . 19 1 1 A 21 21 ALA N N 21 124.602 124.414 0.188 1
1 136 . 19 1 1 A 21 21 ALA H H 21 7.707 8.519 -0.812 1
1 137 . 19 1 1 A 21 21 ALA CA C 21 50.258 50.287 -0.029 1
1 138 . 19 1 1 A 21 21 ALA HA H 21 5.182 5.195 -0.013 1
1 139 . 19 1 1 A 21 21 ALA CB C 21 22.647 21.525 1.122 1
1 143 . 19 1 1 A 21 21 ALA C C 21 176.452 176.292 0.160 1
1 144 . 19 1 1 A 22 22 PHE N N 22 117.531 117.228 0.303 1
1 145 . 19 1 1 A 22 22 PHE H H 22 8.993 9.148 -0.155 1
1 146 . 19 1 1 A 22 22 PHE CA C 22 57.291 56.564 0.727 1
1 147 . 19 1 1 A 22 22 PHE HA H 22 4.681 4.913 -0.232 1
1 148 . 19 1 1 A 22 22 PHE CB C 22 43.492 43.117 0.375 1
1 160 . 19 1 1 A 22 22 PHE C C 22 175.518 176.116 -0.598 1
1 162 . 19 1 1 A 23 23 GLY N N 23 108.429 112.153 -3.724 1
1 163 . 19 1 1 A 23 23 GLY H H 23 9.218 8.878 0.340 1
1 164 . 19 1 1 A 23 23 GLY CA C 23 46.310 46.552 -0.242 1
1 165 . 19 1 1 A 23 23 GLY HA3 H 23 4.441 4.083 0.358 1
1 166 . 19 1 1 A 23 23 GLY C C 23 173.456 174.312 -0.856 1
1 167 . 19 1 1 A 23 23 GLY HA2 H 23 4.101 4.002 0.099 1
1 168 . 19 1 1 A 24 24 LEU N N 24 117.612 121.815 -4.203 1
1 169 . 19 1 1 A 24 24 LEU H H 24 7.590 8.019 -0.429 1
1 170 . 19 1 1 A 24 24 LEU CA C 24 53.046 53.552 -0.506 1
1 171 . 19 1 1 A 24 24 LEU HA H 24 4.876 4.495 0.381 1
1 172 . 19 1 1 A 24 24 LEU CB C 24 45.217 43.514 1.703 1
1 184 . 19 1 1 A 24 24 LEU C C 24 177.375 176.753 0.622 1
1 186 . 19 1 1 A 25 25 SER N N 25 121.264 120.279 0.985 1
1 187 . 19 1 1 A 25 25 SER H H 25 8.392 8.368 0.024 1
1 188 . 19 1 1 A 25 25 SER CA C 25 61.134 61.001 0.133 1
1 189 . 19 1 1 A 25 25 SER HA H 25 3.053 3.222 -0.169 1
1 190 . 19 1 1 A 25 25 SER CB C 25 61.763 62.544 -0.781 1
1 193 . 19 1 1 A 26 26 ALA N N 26 120.264 122.276 -2.012 1
1 194 . 19 1 1 A 26 26 ALA H H 26 8.540 7.951 0.589 1
1 195 . 19 1 1 A 26 26 ALA CA C 26 54.998 55.157 -0.159 1
1 196 . 19 1 1 A 26 26 ALA HA H 26 3.941 3.895 0.046 1
1 197 . 19 1 1 A 26 26 ALA CB C 26 18.632 18.512 0.120 1
1 201 . 19 1 1 A 26 26 ALA C C 26 180.701 180.032 0.669 1
1 202 . 19 1 1 A 27 27 GLU N N 27 114.495 118.261 -3.766 1
1 203 . 19 1 1 A 27 27 GLU H H 27 6.760 7.993 -1.233 1
1 204 . 19 1 1 A 27 27 GLU CA C 27 58.170 59.206 -1.036 1
1 205 . 19 1 1 A 27 27 GLU HA H 27 3.847 3.943 -0.096 1
1 206 . 19 1 1 A 27 27 GLU CB C 27 30.158 29.077 1.081 1
1 210 . 19 1 1 A 27 27 GLU C C 27 178.856 178.843 0.013 1
1 213 . 19 1 1 A 28 28 LEU N N 28 121.928 121.511 0.417 1
1 214 . 19 1 1 A 28 28 LEU H H 28 6.961 7.357 -0.396 1
1 215 . 19 1 1 A 28 28 LEU CA C 28 57.950 57.395 0.555 1
1 216 . 19 1 1 A 28 28 LEU HA H 28 3.347 2.998 0.349 1
1 217 . 19 1 1 A 28 28 LEU CB C 28 40.130 41.516 -1.386 1
1 229 . 19 1 1 A 28 28 LEU C C 28 177.702 178.163 -0.461 1
1 231 . 19 1 1 A 29 29 VAL N N 29 119.082 119.217 -0.135 1
1 232 . 19 1 1 A 29 29 VAL H H 29 8.093 7.979 0.114 1
1 233 . 19 1 1 A 29 29 VAL CA C 29 66.576 66.941 -0.365 1
1 234 . 19 1 1 A 29 29 VAL HA H 29 3.614 3.451 0.163 1
1 235 . 19 1 1 A 29 29 VAL CB C 29 31.696 31.432 0.264 1
1 245 . 19 1 1 A 29 29 VAL C C 29 178.880 177.802 1.078 1
1 246 . 19 1 1 A 30 30 ARG N N 30 117.780 119.834 -2.054 1
1 247 . 19 1 1 A 30 30 ARG H H 30 7.334 8.573 -1.239 1
1 248 . 19 1 1 A 30 30 ARG CA C 30 59.465 58.296 1.169 1
1 249 . 19 1 1 A 30 30 ARG HA H 30 3.919 4.025 -0.106 1
1 250 . 19 1 1 A 30 30 ARG CB C 30 30.372 29.754 0.618 1
1 255 . 19 1 1 A 30 30 ARG C C 30 178.976 178.261 0.715 1
1 259 . 19 1 1 A 31 31 HIS N N 31 118.952 120.157 -1.205 1
1 260 . 19 1 1 A 31 31 HIS H H 31 7.707 7.587 0.120 1
1 261 . 19 1 1 A 31 31 HIS CA C 31 59.106 59.167 -0.061 1
1 262 . 19 1 1 A 31 31 HIS HA H 31 4.197 4.109 0.088 1
1 263 . 19 1 1 A 31 31 HIS CB C 31 28.625 29.684 -1.059 1
1 269 . 19 1 1 A 31 31 HIS C C 31 176.294 177.277 -0.983 1
1 271 . 19 1 1 A 32 32 GLN N N 32 114.837 117.524 -2.687 1
1 272 . 19 1 1 A 32 32 GLN H H 32 8.512 8.146 0.366 1
1 273 . 19 1 1 A 32 32 GLN CA C 32 59.527 58.750 0.777 1
1 274 . 19 1 1 A 32 32 GLN HA H 32 3.682 3.643 0.039 1
1 275 . 19 1 1 A 32 32 GLN CB C 32 28.414 28.400 0.014 1
1 282 . 19 1 1 A 32 32 GLN C C 32 177.046 178.519 -1.473 1
1 285 . 19 1 1 A 33 33 ARG N N 33 117.734 119.379 -1.645 1
1 286 . 19 1 1 A 33 33 ARG H H 33 7.088 7.950 -0.862 1
1 287 . 19 1 1 A 33 33 ARG CA C 33 58.432 58.930 -0.498 1
1 288 . 19 1 1 A 33 33 ARG HA H 33 4.115 3.995 0.120 1
1 289 . 19 1 1 A 33 33 ARG CB C 33 30.016 29.763 0.253 1
1 294 . 19 1 1 A 33 33 ARG C C 33 178.394 178.950 -0.556 1
1 298 . 19 1 1 A 34 34 ILE N N 34 115.478 116.530 -1.052 1
1 299 . 19 1 1 A 34 34 ILE H H 34 7.677 7.469 0.208 1
1 300 . 19 1 1 A 34 34 ILE CA C 34 63.060 63.184 -0.124 1
1 301 . 19 1 1 A 34 34 ILE HA H 34 3.947 3.763 0.184 1
1 302 . 19 1 1 A 34 34 ILE CB C 34 37.660 37.164 0.496 1
1 314 . 19 1 1 A 34 34 ILE C C 34 177.059 176.412 0.647 1
1 316 . 19 1 1 A 35 35 HIS N N 35 117.439 119.373 -1.934 1
1 317 . 19 1 1 A 35 35 HIS H H 35 7.180 7.724 -0.544 1
1 318 . 19 1 1 A 35 35 HIS CA C 35 54.820 56.428 -1.608 1
1 319 . 19 1 1 A 35 35 HIS HA H 35 4.666 4.242 0.424 1
1 320 . 19 1 1 A 35 35 HIS CB C 35 28.012 29.982 -1.970 1
1 326 . 19 1 1 A 35 35 HIS C C 35 175.578 174.746 0.832 1
1 328 . 19 1 1 A 36 36 THR N N 36 111.209 108.831 2.378 1
1 329 . 19 1 1 A 36 36 THR H H 36 7.590 7.590 0.000 1
1 330 . 19 1 1 A 36 36 THR CA C 36 62.494 59.621 2.873 1
1 331 . 19 1 1 A 36 36 THR HA H 36 4.246 4.668 -0.422 1
1 332 . 19 1 1 A 36 36 THR CB C 36 69.710 71.696 -1.986 1
1 338 . 19 1 1 A 36 36 THR C C 36 175.421 174.565 0.856 1
1 339 . 19 1 1 A 37 37 GLY N N 37 110.931 111.204 -0.273 1
1 340 . 19 1 1 A 37 37 GLY H H 37 8.251 8.408 -0.157 1
1 341 . 19 1 1 A 37 37 GLY CA C 37 45.328 46.275 -0.947 1
1 342 . 19 1 1 A 37 37 GLY HA3 H 37 4.007 3.960 0.047 1
1 343 . 19 1 1 A 37 37 GLY HA2 H 37 3.933 3.948 -0.015 1
1 344 . 19 1 1 A 38 38 GLU N N 38 120.496 121.299 -0.803 1
1 345 . 19 1 1 A 38 38 GLU H H 38 8.060 7.908 0.152 1
1 346 . 19 1 1 A 38 38 GLU CA C 38 56.420 57.536 -1.116 1
1 347 . 19 1 1 A 38 38 GLU HA H 38 4.251 4.299 -0.048 1
1 348 . 19 1 1 A 38 38 GLU CB C 38 30.580 30.694 -0.114 1
1 354 . 19 1 1 A 39 39 LYS N N 39 123.793 124.647 -0.854 1
1 355 . 19 1 1 A 39 39 LYS H H 39 8.427 8.335 0.092 1
1 356 . 19 1 1 A 39 39 LYS CA C 39 54.155 53.010 1.145 1
1 357 . 19 1 1 A 39 39 LYS HA H 39 4.574 4.778 -0.204 1
1 358 . 19 1 1 A 39 39 LYS CB C 39 32.536 34.122 -1.586 1
1 370 . 19 1 1 A 40 40 PRO CA C 40 63.229 64.394 -1.165 1
1 371 . 19 1 1 A 40 40 PRO HA H 40 4.432 4.443 -0.011 1
1 372 . 19 1 1 A 40 40 PRO CB C 40 32.117 32.158 -0.041 1
1 381 . 19 1 1 A 41 41 SER N N 41 116.420 111.530 4.890 1
1 382 . 19 1 1 A 41 41 SER H H 41 8.435 7.600 0.835 1
1 383 . 19 1 1 A 43 43 PRO CA C 43 63.289 62.573 0.716 1
1 384 . 19 1 1 A 43 43 PRO HA H 43 4.477 4.628 -0.151 1
1 385 . 19 1 1 A 43 43 PRO CB C 43 32.212 31.512 0.700 1
1 394 . 19 1 1 A 45 45 SER CA C 45 58.417 60.036 -1.619 1
1 395 . 19 1 1 A 45 45 SER HA H 45 4.517 4.289 0.228 1
1 396 . 19 1 1 A 45 45 SER CB C 45 63.947 62.255 1.692 1
1 397 . 19 1 1 A 45 45 SER C C 45 173.927 175.374 -1.447 1
1 1 . 20 1 1 A 9 9 GLY CA C 9 45.457 47.042 -1.585 1
1 2 . 20 1 1 A 9 9 GLY HA2 H 9 3.947 3.949 -0.002 1
1 3 . 20 1 1 A 10 10 GLU N N 10 120.021 125.200 -5.179 1
1 4 . 20 1 1 A 10 10 GLU H H 10 8.232 8.470 -0.238 1
1 5 . 20 1 1 A 10 10 GLU CA C 10 56.989 55.390 1.599 1
1 6 . 20 1 1 A 10 10 GLU HA H 10 4.186 4.478 -0.292 1
1 7 . 20 1 1 A 10 10 GLU CB C 10 30.382 29.122 1.260 1
1 13 . 20 1 1 A 11 11 LYS N N 11 121.247 127.158 -5.911 1
1 14 . 20 1 1 A 11 11 LYS H H 11 8.262 8.129 0.133 1
1 15 . 20 1 1 A 11 11 LYS CA C 11 53.662 54.206 -0.544 1
1 16 . 20 1 1 A 11 11 LYS HA H 11 4.556 4.457 0.099 1
1 17 . 20 1 1 A 11 11 LYS CB C 11 33.383 31.742 1.641 1
1 29 . 20 1 1 A 12 12 PRO CA C 12 63.504 64.936 -1.432 1
1 30 . 20 1 1 A 12 12 PRO HA H 12 4.297 4.272 0.025 1
1 31 . 20 1 1 A 12 12 PRO CB C 12 32.319 31.836 0.483 1
1 37 . 20 1 1 A 12 12 PRO C C 12 176.573 175.823 0.750 1
1 41 . 20 1 1 A 13 13 TYR N N 13 119.490 117.849 1.641 1
1 42 . 20 1 1 A 13 13 TYR H H 13 7.903 7.459 0.444 1
1 43 . 20 1 1 A 13 13 TYR CA C 13 57.922 57.195 0.727 1
1 44 . 20 1 1 A 13 13 TYR HA H 13 4.582 4.840 -0.258 1
1 45 . 20 1 1 A 13 13 TYR CB C 13 37.887 38.538 -0.651 1
1 55 . 20 1 1 A 13 13 TYR C C 13 174.376 175.188 -0.812 1
1 57 . 20 1 1 A 14 14 VAL N N 14 125.513 124.030 1.483 1
1 58 . 20 1 1 A 14 14 VAL H H 14 8.446 9.154 -0.708 1
1 59 . 20 1 1 A 14 14 VAL CA C 14 61.477 60.936 0.541 1
1 60 . 20 1 1 A 14 14 VAL HA H 14 4.552 5.052 -0.500 1
1 61 . 20 1 1 A 14 14 VAL CB C 14 34.386 34.432 -0.046 1
1 71 . 20 1 1 A 14 14 VAL C C 14 175.372 175.403 -0.031 1
1 72 . 20 1 1 A 15 15 CYS N N 15 129.259 126.356 2.903 1
1 73 . 20 1 1 A 15 15 CYS H H 15 9.292 8.802 0.490 1
1 74 . 20 1 1 A 15 15 CYS CA C 15 60.158 58.599 1.559 1
1 75 . 20 1 1 A 15 15 CYS HA H 15 4.513 4.674 -0.161 1
1 76 . 20 1 1 A 15 15 CYS CB C 15 29.975 27.525 2.450 1
1 78 . 20 1 1 A 15 15 CYS C C 15 176.962 174.681 2.281 1
1 80 . 20 1 1 A 16 16 ASP N N 16 115.898 127.605 -11.707 1
1 81 . 20 1 1 A 16 16 ASP H H 16 9.396 8.252 1.144 1
1 82 . 20 1 1 A 16 16 ASP CA C 16 56.513 57.167 -0.654 1
1 83 . 20 1 1 A 16 16 ASP HA H 16 4.402 4.345 0.057 1
1 84 . 20 1 1 A 16 16 ASP CB C 16 40.801 40.547 0.254 1
1 86 . 20 1 1 A 16 16 ASP C C 16 176.136 177.715 -1.579 1
1 88 . 20 1 1 A 17 17 TYR N N 17 119.369 120.214 -0.845 1
1 89 . 20 1 1 A 17 17 TYR H H 17 8.841 8.418 0.423 1
1 90 . 20 1 1 A 17 17 TYR CA C 17 60.339 62.242 -1.903 1
1 91 . 20 1 1 A 17 17 TYR HA H 17 4.242 4.023 0.219 1
1 92 . 20 1 1 A 17 17 TYR CB C 17 37.705 38.801 -1.096 1
1 102 . 20 1 1 A 17 17 TYR C C 17 177.144 177.902 -0.758 1
1 104 . 20 1 1 A 18 18 CYS N N 18 114.506 115.469 -0.963 1
1 105 . 20 1 1 A 18 18 CYS H H 18 7.999 7.669 0.330 1
1 106 . 20 1 1 A 18 18 CYS CA C 18 58.405 59.676 -1.271 1
1 107 . 20 1 1 A 18 18 CYS HA H 18 5.187 4.645 0.542 1
1 108 . 20 1 1 A 18 18 CYS CB C 18 32.949 29.621 3.328 1
1 110 . 20 1 1 A 18 18 CYS C C 18 176.258 175.308 0.950 1
1 112 . 20 1 1 A 19 19 GLY N N 19 113.706 110.194 3.512 1
1 113 . 20 1 1 A 19 19 GLY H H 19 8.288 8.149 0.139 1
1 114 . 20 1 1 A 19 19 GLY CA C 19 46.197 45.222 0.975 1
1 115 . 20 1 1 A 19 19 GLY HA3 H 19 4.220 4.094 0.126 1
1 116 . 20 1 1 A 19 19 GLY C C 19 173.563 174.276 -0.713 1
1 117 . 20 1 1 A 19 19 GLY HA2 H 19 3.750 4.085 -0.335 1
1 118 . 20 1 1 A 20 20 LYS N N 20 123.570 121.173 2.397 1
1 119 . 20 1 1 A 20 20 LYS H H 20 8.091 7.945 0.146 1
1 120 . 20 1 1 A 20 20 LYS CA C 20 58.371 55.046 3.325 1
1 121 . 20 1 1 A 20 20 LYS HA H 20 3.934 4.495 -0.561 1
1 122 . 20 1 1 A 20 20 LYS CB C 20 33.556 34.108 -0.552 1
1 130 . 20 1 1 A 20 20 LYS C C 20 173.490 175.027 -1.537 1
1 135 . 20 1 1 A 21 21 ALA N N 21 124.602 126.148 -1.546 1
1 136 . 20 1 1 A 21 21 ALA H H 21 7.707 8.115 -0.408 1
1 137 . 20 1 1 A 21 21 ALA CA C 21 50.258 49.474 0.784 1
1 138 . 20 1 1 A 21 21 ALA HA H 21 5.182 5.424 -0.242 1
1 139 . 20 1 1 A 21 21 ALA CB C 21 22.647 22.615 0.032 1
1 143 . 20 1 1 A 21 21 ALA C C 21 176.452 175.272 1.180 1
1 144 . 20 1 1 A 22 22 PHE N N 22 117.531 117.056 0.475 1
1 145 . 20 1 1 A 22 22 PHE H H 22 8.993 8.648 0.345 1
1 146 . 20 1 1 A 22 22 PHE CA C 22 57.291 56.730 0.561 1
1 147 . 20 1 1 A 22 22 PHE HA H 22 4.681 4.930 -0.249 1
1 148 . 20 1 1 A 22 22 PHE CB C 22 43.492 42.991 0.501 1
1 160 . 20 1 1 A 22 22 PHE C C 22 175.518 176.028 -0.510 1
1 162 . 20 1 1 A 23 23 GLY N N 23 108.429 111.057 -2.628 1
1 163 . 20 1 1 A 23 23 GLY H H 23 9.218 8.970 0.248 1
1 164 . 20 1 1 A 23 23 GLY CA C 23 46.310 47.032 -0.722 1
1 165 . 20 1 1 A 23 23 GLY HA3 H 23 4.441 4.007 0.434 1
1 166 . 20 1 1 A 23 23 GLY C C 23 173.456 174.563 -1.107 1
1 167 . 20 1 1 A 23 23 GLY HA2 H 23 4.101 3.951 0.150 1
1 168 . 20 1 1 A 24 24 LEU N N 24 117.612 120.787 -3.175 1
1 169 . 20 1 1 A 24 24 LEU H H 24 7.590 7.973 -0.383 1
1 170 . 20 1 1 A 24 24 LEU CA C 24 53.046 53.675 -0.629 1
1 171 . 20 1 1 A 24 24 LEU HA H 24 4.876 4.662 0.214 1
1 172 . 20 1 1 A 24 24 LEU CB C 24 45.217 43.357 1.860 1
1 184 . 20 1 1 A 24 24 LEU C C 24 177.375 177.332 0.043 1
1 186 . 20 1 1 A 25 25 SER N N 25 121.264 118.790 2.474 1
1 187 . 20 1 1 A 25 25 SER H H 25 8.392 8.786 -0.394 1
1 188 . 20 1 1 A 25 25 SER CA C 25 61.134 61.000 0.134 1
1 189 . 20 1 1 A 25 25 SER HA H 25 3.053 3.020 0.033 1
1 190 . 20 1 1 A 25 25 SER CB C 25 61.763 62.057 -0.294 1
1 193 . 20 1 1 A 26 26 ALA N N 26 120.264 122.311 -2.047 1
1 194 . 20 1 1 A 26 26 ALA H H 26 8.540 8.162 0.378 1
1 195 . 20 1 1 A 26 26 ALA CA C 26 54.998 55.255 -0.257 1
1 196 . 20 1 1 A 26 26 ALA HA H 26 3.941 3.947 -0.006 1
1 197 . 20 1 1 A 26 26 ALA CB C 26 18.632 18.476 0.156 1
1 201 . 20 1 1 A 26 26 ALA C C 26 180.701 180.034 0.667 1
1 202 . 20 1 1 A 27 27 GLU N N 27 114.495 118.227 -3.732 1
1 203 . 20 1 1 A 27 27 GLU H H 27 6.760 7.979 -1.219 1
1 204 . 20 1 1 A 27 27 GLU CA C 27 58.170 59.188 -1.018 1
1 205 . 20 1 1 A 27 27 GLU HA H 27 3.847 3.904 -0.057 1
1 206 . 20 1 1 A 27 27 GLU CB C 27 30.158 29.211 0.947 1
1 210 . 20 1 1 A 27 27 GLU C C 27 178.856 178.989 -0.133 1
1 213 . 20 1 1 A 28 28 LEU N N 28 121.928 121.946 -0.018 1
1 214 . 20 1 1 A 28 28 LEU H H 28 6.961 7.580 -0.619 1
1 215 . 20 1 1 A 28 28 LEU CA C 28 57.950 57.663 0.287 1
1 216 . 20 1 1 A 28 28 LEU HA H 28 3.347 3.128 0.219 1
1 217 . 20 1 1 A 28 28 LEU CB C 28 40.130 41.188 -1.058 1
1 229 . 20 1 1 A 28 28 LEU C C 28 177.702 178.423 -0.721 1
1 231 . 20 1 1 A 29 29 VAL N N 29 119.082 118.867 0.215 1
1 232 . 20 1 1 A 29 29 VAL H H 29 8.093 7.753 0.340 1
1 233 . 20 1 1 A 29 29 VAL CA C 29 66.576 66.900 -0.324 1
1 234 . 20 1 1 A 29 29 VAL HA H 29 3.614 3.423 0.191 1
1 235 . 20 1 1 A 29 29 VAL CB C 29 31.696 31.492 0.204 1
1 245 . 20 1 1 A 29 29 VAL C C 29 178.880 177.945 0.935 1
1 246 . 20 1 1 A 30 30 ARG N N 30 117.780 118.622 -0.842 1
1 247 . 20 1 1 A 30 30 ARG H H 30 7.334 8.132 -0.798 1
1 248 . 20 1 1 A 30 30 ARG CA C 30 59.465 58.517 0.948 1
1 249 . 20 1 1 A 30 30 ARG HA H 30 3.919 4.073 -0.154 1
1 250 . 20 1 1 A 30 30 ARG CB C 30 30.372 30.125 0.247 1
1 255 . 20 1 1 A 30 30 ARG C C 30 178.976 178.277 0.699 1
1 259 . 20 1 1 A 31 31 HIS N N 31 118.952 121.440 -2.488 1
1 260 . 20 1 1 A 31 31 HIS H H 31 7.707 7.923 -0.216 1
1 261 . 20 1 1 A 31 31 HIS CA C 31 59.106 58.691 0.415 1
1 262 . 20 1 1 A 31 31 HIS HA H 31 4.197 4.087 0.110 1
1 263 . 20 1 1 A 31 31 HIS CB C 31 28.625 29.948 -1.323 1
1 269 . 20 1 1 A 31 31 HIS C C 31 176.294 176.836 -0.542 1
1 271 . 20 1 1 A 32 32 GLN N N 32 114.837 117.612 -2.775 1
1 272 . 20 1 1 A 32 32 GLN H H 32 8.512 8.664 -0.152 1
1 273 . 20 1 1 A 32 32 GLN CA C 32 59.527 59.206 0.321 1
1 274 . 20 1 1 A 32 32 GLN HA H 32 3.682 3.721 -0.039 1
1 275 . 20 1 1 A 32 32 GLN CB C 32 28.414 28.282 0.132 1
1 282 . 20 1 1 A 32 32 GLN C C 32 177.046 177.965 -0.919 1
1 285 . 20 1 1 A 33 33 ARG N N 33 117.734 117.529 0.205 1
1 286 . 20 1 1 A 33 33 ARG H H 33 7.088 7.761 -0.673 1
1 287 . 20 1 1 A 33 33 ARG CA C 33 58.432 58.626 -0.194 1
1 288 . 20 1 1 A 33 33 ARG HA H 33 4.115 3.996 0.119 1
1 289 . 20 1 1 A 33 33 ARG CB C 33 30.016 29.948 0.068 1
1 294 . 20 1 1 A 33 33 ARG C C 33 178.394 177.755 0.639 1
1 298 . 20 1 1 A 34 34 ILE N N 34 115.478 115.948 -0.470 1
1 299 . 20 1 1 A 34 34 ILE H H 34 7.677 7.848 -0.171 1
1 300 . 20 1 1 A 34 34 ILE CA C 34 63.060 64.131 -1.071 1
1 301 . 20 1 1 A 34 34 ILE HA H 34 3.947 3.658 0.289 1
1 302 . 20 1 1 A 34 34 ILE CB C 34 37.660 37.136 0.524 1
1 314 . 20 1 1 A 34 34 ILE C C 34 177.059 177.408 -0.349 1
1 316 . 20 1 1 A 35 35 HIS N N 35 117.439 119.528 -2.089 1
1 317 . 20 1 1 A 35 35 HIS H H 35 7.180 7.657 -0.477 1
1 318 . 20 1 1 A 35 35 HIS CA C 35 54.820 57.902 -3.082 1
1 319 . 20 1 1 A 35 35 HIS HA H 35 4.666 4.234 0.432 1
1 320 . 20 1 1 A 35 35 HIS CB C 35 28.012 30.241 -2.229 1
1 326 . 20 1 1 A 35 35 HIS C C 35 175.578 175.295 0.283 1
1 328 . 20 1 1 A 36 36 THR N N 36 111.209 111.708 -0.499 1
1 329 . 20 1 1 A 36 36 THR H H 36 7.590 7.883 -0.293 1
1 330 . 20 1 1 A 36 36 THR CA C 36 62.494 60.010 2.484 1
1 331 . 20 1 1 A 36 36 THR HA H 36 4.246 4.585 -0.339 1
1 332 . 20 1 1 A 36 36 THR CB C 36 69.710 70.118 -0.408 1
1 338 . 20 1 1 A 36 36 THR C C 36 175.421 173.650 1.771 1
1 339 . 20 1 1 A 37 37 GLY N N 37 110.931 114.374 -3.443 1
1 340 . 20 1 1 A 37 37 GLY H H 37 8.251 8.407 -0.156 1
1 341 . 20 1 1 A 37 37 GLY CA C 37 45.328 45.690 -0.362 1
1 342 . 20 1 1 A 37 37 GLY HA3 H 37 4.007 3.975 0.032 1
1 343 . 20 1 1 A 37 37 GLY HA2 H 37 3.933 3.960 -0.027 1
1 344 . 20 1 1 A 38 38 GLU N N 38 120.496 121.894 -1.398 1
1 345 . 20 1 1 A 38 38 GLU H H 38 8.060 7.841 0.219 1
1 346 . 20 1 1 A 38 38 GLU CA C 38 56.420 54.891 1.529 1
1 347 . 20 1 1 A 38 38 GLU HA H 38 4.251 4.619 -0.368 1
1 348 . 20 1 1 A 38 38 GLU CB C 38 30.580 31.436 -0.856 1
1 354 . 20 1 1 A 39 39 LYS N N 39 123.793 127.760 -3.967 1
1 355 . 20 1 1 A 39 39 LYS H H 39 8.427 8.418 0.009 1
1 356 . 20 1 1 A 39 39 LYS CA C 39 54.155 54.606 -0.451 1
1 357 . 20 1 1 A 39 39 LYS HA H 39 4.574 4.322 0.252 1
1 358 . 20 1 1 A 39 39 LYS CB C 39 32.536 33.097 -0.561 1
1 370 . 20 1 1 A 40 40 PRO CA C 40 63.229 62.710 0.519 1
1 371 . 20 1 1 A 40 40 PRO HA H 40 4.432 4.697 -0.265 1
1 372 . 20 1 1 A 40 40 PRO CB C 40 32.117 31.654 0.463 1
1 381 . 20 1 1 A 41 41 SER N N 41 116.420 115.039 1.381 1
1 382 . 20 1 1 A 41 41 SER H H 41 8.435 8.399 0.036 1
1 383 . 20 1 1 A 43 43 PRO CA C 43 63.289 65.128 -1.839 1
1 384 . 20 1 1 A 43 43 PRO HA H 43 4.477 4.302 0.175 1
1 385 . 20 1 1 A 43 43 PRO CB C 43 32.212 32.011 0.201 1
1 394 . 20 1 1 A 45 45 SER CA C 45 58.417 59.896 -1.479 1
1 395 . 20 1 1 A 45 45 SER HA H 45 4.517 4.284 0.233 1
1 396 . 20 1 1 A 45 45 SER CB C 45 63.947 62.803 1.144 1
1 397 . 20 1 1 A 45 45 SER C C 45 173.927 175.411 -1.484 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 25 1.062 1
2 1 1 1 "RMS(OBS, PRED)" CA 34 1.332 1
3 1 1 1 "RMS(OBS, PRED)" CB 30 1.340 1
4 1 1 1 "RMS(OBS, PRED)" H 30 0.490 1
5 1 1 1 "RMS(OBS, PRED)" HA 37 0.367 1
6 1 1 1 "RMS(OBS, PRED)" N 30 3.105 1
7 1 2 1 "RMS(OBS, PRED)" C 25 1.337 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.279 1
9 1 2 1 "RMS(OBS, PRED)" CB 30 1.177 1
10 1 2 1 "RMS(OBS, PRED)" H 30 0.496 1
11 1 2 1 "RMS(OBS, PRED)" HA 37 0.317 1
12 1 2 1 "RMS(OBS, PRED)" N 30 3.289 1
13 1 3 1 "RMS(OBS, PRED)" C 25 0.893 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.421 1
15 1 3 1 "RMS(OBS, PRED)" CB 30 1.122 1
16 1 3 1 "RMS(OBS, PRED)" H 30 0.506 1
17 1 3 1 "RMS(OBS, PRED)" HA 37 0.279 1
18 1 3 1 "RMS(OBS, PRED)" N 30 3.441 1
19 1 4 1 "RMS(OBS, PRED)" C 25 0.962 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.289 1
21 1 4 1 "RMS(OBS, PRED)" CB 30 1.201 1
22 1 4 1 "RMS(OBS, PRED)" H 30 0.563 1
23 1 4 1 "RMS(OBS, PRED)" HA 37 0.297 1
24 1 4 1 "RMS(OBS, PRED)" N 30 3.232 1
25 1 5 1 "RMS(OBS, PRED)" C 25 0.978 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 1.212 1
27 1 5 1 "RMS(OBS, PRED)" CB 30 1.359 1
28 1 5 1 "RMS(OBS, PRED)" H 30 0.530 1
29 1 5 1 "RMS(OBS, PRED)" HA 37 0.277 1
30 1 5 1 "RMS(OBS, PRED)" N 30 3.393 1
31 1 6 1 "RMS(OBS, PRED)" C 25 1.051 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 1.197 1
33 1 6 1 "RMS(OBS, PRED)" CB 30 1.054 1
34 1 6 1 "RMS(OBS, PRED)" H 30 0.483 1
35 1 6 1 "RMS(OBS, PRED)" HA 37 0.299 1
36 1 6 1 "RMS(OBS, PRED)" N 30 3.148 1
37 1 7 1 "RMS(OBS, PRED)" C 25 0.878 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.231 1
39 1 7 1 "RMS(OBS, PRED)" CB 30 1.337 1
40 1 7 1 "RMS(OBS, PRED)" H 30 0.523 1
41 1 7 1 "RMS(OBS, PRED)" HA 37 0.279 1
42 1 7 1 "RMS(OBS, PRED)" N 30 2.947 1
43 1 8 1 "RMS(OBS, PRED)" C 25 0.925 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.215 1
45 1 8 1 "RMS(OBS, PRED)" CB 30 1.110 1
46 1 8 1 "RMS(OBS, PRED)" H 30 0.513 1
47 1 8 1 "RMS(OBS, PRED)" HA 37 0.253 1
48 1 8 1 "RMS(OBS, PRED)" N 30 3.547 1
49 1 9 1 "RMS(OBS, PRED)" C 25 1.104 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.187 1
51 1 9 1 "RMS(OBS, PRED)" CB 30 1.319 1
52 1 9 1 "RMS(OBS, PRED)" H 30 0.489 1
53 1 9 1 "RMS(OBS, PRED)" HA 37 0.258 1
54 1 9 1 "RMS(OBS, PRED)" N 30 3.131 1
55 1 10 1 "RMS(OBS, PRED)" C 25 0.859 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.178 1
57 1 10 1 "RMS(OBS, PRED)" CB 30 1.434 1
58 1 10 1 "RMS(OBS, PRED)" H 30 0.525 1
59 1 10 1 "RMS(OBS, PRED)" HA 37 0.358 1
60 1 10 1 "RMS(OBS, PRED)" N 30 3.702 1
61 1 11 1 "RMS(OBS, PRED)" C 25 0.869 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.288 1
63 1 11 1 "RMS(OBS, PRED)" CB 30 1.124 1
64 1 11 1 "RMS(OBS, PRED)" H 30 0.578 1
65 1 11 1 "RMS(OBS, PRED)" HA 37 0.328 1
66 1 11 1 "RMS(OBS, PRED)" N 30 3.782 1
67 1 12 1 "RMS(OBS, PRED)" C 25 0.923 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.230 1
69 1 12 1 "RMS(OBS, PRED)" CB 30 1.449 1
70 1 12 1 "RMS(OBS, PRED)" H 30 0.527 1
71 1 12 1 "RMS(OBS, PRED)" HA 37 0.292 1
72 1 12 1 "RMS(OBS, PRED)" N 30 3.295 1
73 1 13 1 "RMS(OBS, PRED)" C 25 0.926 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.261 1
75 1 13 1 "RMS(OBS, PRED)" CB 30 1.159 1
76 1 13 1 "RMS(OBS, PRED)" H 30 0.506 1
77 1 13 1 "RMS(OBS, PRED)" HA 37 0.298 1
78 1 13 1 "RMS(OBS, PRED)" N 30 3.360 1
79 1 14 1 "RMS(OBS, PRED)" C 25 0.940 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.334 1
81 1 14 1 "RMS(OBS, PRED)" CB 30 1.073 1
82 1 14 1 "RMS(OBS, PRED)" H 30 0.467 1
83 1 14 1 "RMS(OBS, PRED)" HA 37 0.300 1
84 1 14 1 "RMS(OBS, PRED)" N 30 3.466 1
85 1 15 1 "RMS(OBS, PRED)" C 25 1.061 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.191 1
87 1 15 1 "RMS(OBS, PRED)" CB 30 1.375 1
88 1 15 1 "RMS(OBS, PRED)" H 30 0.468 1
89 1 15 1 "RMS(OBS, PRED)" HA 37 0.270 1
90 1 15 1 "RMS(OBS, PRED)" N 30 3.569 1
91 1 16 1 "RMS(OBS, PRED)" C 25 1.113 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.316 1
93 1 16 1 "RMS(OBS, PRED)" CB 30 1.263 1
94 1 16 1 "RMS(OBS, PRED)" H 30 0.487 1
95 1 16 1 "RMS(OBS, PRED)" HA 37 0.350 1
96 1 16 1 "RMS(OBS, PRED)" N 30 3.202 1
97 1 17 1 "RMS(OBS, PRED)" C 25 1.157 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 1.175 1
99 1 17 1 "RMS(OBS, PRED)" CB 30 1.252 1
100 1 17 1 "RMS(OBS, PRED)" H 30 0.423 1
101 1 17 1 "RMS(OBS, PRED)" HA 37 0.301 1
102 1 17 1 "RMS(OBS, PRED)" N 30 2.937 1
103 1 18 1 "RMS(OBS, PRED)" C 25 0.840 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.341 1
105 1 18 1 "RMS(OBS, PRED)" CB 30 1.520 1
106 1 18 1 "RMS(OBS, PRED)" H 30 0.538 1
107 1 18 1 "RMS(OBS, PRED)" HA 37 0.378 1
108 1 18 1 "RMS(OBS, PRED)" N 30 2.853 1
109 1 19 1 "RMS(OBS, PRED)" C 25 0.985 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 1.294 1
111 1 19 1 "RMS(OBS, PRED)" CB 30 1.253 1
112 1 19 1 "RMS(OBS, PRED)" H 30 0.527 1
113 1 19 1 "RMS(OBS, PRED)" HA 37 0.270 1
114 1 19 1 "RMS(OBS, PRED)" N 30 3.245 1
115 1 20 1 "RMS(OBS, PRED)" C 25 1.032 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 1.326 1
117 1 20 1 "RMS(OBS, PRED)" CB 30 1.165 1
118 1 20 1 "RMS(OBS, PRED)" H 30 0.491 1
119 1 20 1 "RMS(OBS, PRED)" HA 37 0.263 1
120 1 20 1 "RMS(OBS, PRED)" N 30 3.356 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 9 9 GLY CA C 9 45.457 45.567 -0.110 2
1 2 . 1 1 A 9 9 GLY HA2 H 9 3.947 4.068 -0.121 2
1 3 . 1 1 A 10 10 GLU N N 10 120.021 120.746 -0.725 2
1 4 . 1 1 A 10 10 GLU H H 10 8.232 8.385 -0.153 2
1 5 . 1 1 A 10 10 GLU CA C 10 56.989 55.841 1.148 2
1 6 . 1 1 A 10 10 GLU HA H 10 4.186 4.558 -0.372 2
1 7 . 1 1 A 10 10 GLU CB C 10 30.382 30.899 -0.517 2
1 13 . 1 1 A 11 11 LYS N N 11 121.247 123.667 -2.420 2
1 14 . 1 1 A 11 11 LYS H H 11 8.262 8.399 -0.137 2
1 15 . 1 1 A 11 11 LYS CA C 11 53.662 53.877 -0.215 2
1 16 . 1 1 A 11 11 LYS HA H 11 4.556 4.603 -0.047 2
1 17 . 1 1 A 11 11 LYS CB C 11 33.383 32.937 0.446 2
1 29 . 1 1 A 12 12 PRO CA C 12 63.504 64.856 -1.351 2
1 30 . 1 1 A 12 12 PRO HA H 12 4.297 4.309 -0.012 2
1 31 . 1 1 A 12 12 PRO CB C 12 32.319 31.716 0.603 2
1 37 . 1 1 A 12 12 PRO C C 12 176.573 175.877 0.696 2
1 41 . 1 1 A 13 13 TYR N N 13 119.490 117.867 1.623 2
1 42 . 1 1 A 13 13 TYR H H 13 7.903 7.611 0.292 2
1 43 . 1 1 A 13 13 TYR CA C 13 57.922 57.416 0.506 2
1 44 . 1 1 A 13 13 TYR HA H 13 4.582 4.817 -0.235 2
1 45 . 1 1 A 13 13 TYR CB C 13 37.887 38.338 -0.451 2
1 55 . 1 1 A 13 13 TYR C C 13 174.376 175.203 -0.827 2
1 57 . 1 1 A 14 14 VAL N N 14 125.513 123.590 1.923 2
1 58 . 1 1 A 14 14 VAL H H 14 8.446 8.947 -0.501 2
1 59 . 1 1 A 14 14 VAL CA C 14 61.477 60.574 0.903 2
1 60 . 1 1 A 14 14 VAL HA H 14 4.552 5.103 -0.551 2
1 61 . 1 1 A 14 14 VAL CB C 14 34.386 34.485 -0.099 2
1 71 . 1 1 A 14 14 VAL C C 14 175.372 174.857 0.515 2
1 72 . 1 1 A 15 15 CYS N N 15 129.259 126.997 2.262 2
1 73 . 1 1 A 15 15 CYS H H 15 9.292 9.126 0.166 2
1 74 . 1 1 A 15 15 CYS CA C 15 60.158 59.907 0.250 2
1 75 . 1 1 A 15 15 CYS HA H 15 4.513 4.604 -0.091 2
1 76 . 1 1 A 15 15 CYS CB C 15 29.975 28.722 1.253 2
1 78 . 1 1 A 15 15 CYS C C 15 176.962 175.443 1.519 2
1 80 . 1 1 A 16 16 ASP N N 16 115.898 127.379 -11.481 2
1 81 . 1 1 A 16 16 ASP H H 16 9.396 9.005 0.392 2
1 82 . 1 1 A 16 16 ASP CA C 16 56.513 55.273 1.240 2
1 83 . 1 1 A 16 16 ASP HA H 16 4.402 4.694 -0.292 2
1 84 . 1 1 A 16 16 ASP CB C 16 40.801 41.008 -0.207 2
1 86 . 1 1 A 16 16 ASP C C 16 176.136 177.224 -1.088 2
1 88 . 1 1 A 17 17 TYR N N 17 119.369 120.805 -1.436 2
1 89 . 1 1 A 17 17 TYR H H 17 8.841 8.037 0.804 2
1 90 . 1 1 A 17 17 TYR CA C 17 60.339 61.279 -0.940 2
1 91 . 1 1 A 17 17 TYR HA H 17 4.242 4.189 0.053 2
1 92 . 1 1 A 17 17 TYR CB C 17 37.705 39.006 -1.301 2
1 102 . 1 1 A 17 17 TYR C C 17 177.144 177.548 -0.404 2
1 104 . 1 1 A 18 18 CYS N N 18 114.506 115.660 -1.154 2
1 105 . 1 1 A 18 18 CYS H H 18 7.999 7.834 0.165 2
1 106 . 1 1 A 18 18 CYS CA C 18 58.405 59.634 -1.229 2
1 107 . 1 1 A 18 18 CYS HA H 18 5.187 4.719 0.468 2
1 108 . 1 1 A 18 18 CYS CB C 18 32.949 29.937 3.012 2
1 110 . 1 1 A 18 18 CYS C C 18 176.258 175.418 0.840 2
1 112 . 1 1 A 19 19 GLY N N 19 113.706 110.176 3.530 2
1 113 . 1 1 A 19 19 GLY H H 19 8.288 8.219 0.069 2
1 114 . 1 1 A 19 19 GLY CA C 19 46.197 45.360 0.837 2
1 115 . 1 1 A 19 19 GLY HA3 H 19 4.220 4.096 0.124 2
1 116 . 1 1 A 19 19 GLY C C 19 173.563 174.229 -0.666 2
1 117 . 1 1 A 19 19 GLY HA2 H 19 3.750 4.080 -0.330 2
1 118 . 1 1 A 20 20 LYS N N 20 123.570 120.891 2.679 2
1 119 . 1 1 A 20 20 LYS H H 20 8.091 7.856 0.235 2
1 120 . 1 1 A 20 20 LYS CA C 20 58.371 54.952 3.419 2
1 121 . 1 1 A 20 20 LYS HA H 20 3.934 4.481 -0.547 2
1 122 . 1 1 A 20 20 LYS CB C 20 33.556 34.035 -0.480 2
1 130 . 1 1 A 20 20 LYS C C 20 173.490 175.180 -1.690 2
1 135 . 1 1 A 21 21 ALA N N 21 124.602 125.587 -0.984 2
1 136 . 1 1 A 21 21 ALA H H 21 7.707 8.328 -0.621 2
1 137 . 1 1 A 21 21 ALA CA C 21 50.258 50.483 -0.225 2
1 138 . 1 1 A 21 21 ALA HA H 21 5.182 5.116 0.066 2
1 139 . 1 1 A 21 21 ALA CB C 21 22.647 21.518 1.129 2
1 143 . 1 1 A 21 21 ALA C C 21 176.452 175.870 0.582 2
1 144 . 1 1 A 22 22 PHE N N 22 117.531 117.775 -0.244 2
1 145 . 1 1 A 22 22 PHE H H 22 8.993 8.859 0.134 2
1 146 . 1 1 A 22 22 PHE CA C 22 57.291 56.817 0.474 2
1 147 . 1 1 A 22 22 PHE HA H 22 4.681 4.887 -0.206 2
1 148 . 1 1 A 22 22 PHE CB C 22 43.492 42.784 0.708 2
1 160 . 1 1 A 22 22 PHE C C 22 175.518 176.196 -0.678 2
1 162 . 1 1 A 23 23 GLY N N 23 108.429 111.291 -2.862 2
1 163 . 1 1 A 23 23 GLY H H 23 9.218 8.894 0.324 2
1 164 . 1 1 A 23 23 GLY CA C 23 46.310 46.531 -0.221 2
1 165 . 1 1 A 23 23 GLY HA3 H 23 4.441 4.046 0.395 2
1 166 . 1 1 A 23 23 GLY C C 23 173.456 174.129 -0.673 2
1 167 . 1 1 A 23 23 GLY HA2 H 23 4.101 3.971 0.130 2
1 168 . 1 1 A 24 24 LEU N N 24 117.612 121.336 -3.724 2
1 169 . 1 1 A 24 24 LEU H H 24 7.590 7.812 -0.222 2
1 170 . 1 1 A 24 24 LEU CA C 24 53.046 53.487 -0.441 2
1 171 . 1 1 A 24 24 LEU HA H 24 4.876 4.598 0.278 2
1 172 . 1 1 A 24 24 LEU CB C 24 45.217 44.318 0.899 2
1 184 . 1 1 A 24 24 LEU C C 24 177.375 176.603 0.772 2
1 186 . 1 1 A 25 25 SER N N 25 121.264 119.465 1.799 2
1 187 . 1 1 A 25 25 SER H H 25 8.392 8.521 -0.129 2
1 188 . 1 1 A 25 25 SER CA C 25 61.134 61.101 0.033 2
1 189 . 1 1 A 25 25 SER HA H 25 3.053 3.282 -0.229 2
1 190 . 1 1 A 25 25 SER CB C 25 61.763 62.356 -0.593 2
1 193 . 1 1 A 26 26 ALA N N 26 120.264 122.483 -2.219 2
1 194 . 1 1 A 26 26 ALA H H 26 8.540 8.060 0.480 2
1 195 . 1 1 A 26 26 ALA CA C 26 54.998 55.218 -0.220 2
1 196 . 1 1 A 26 26 ALA HA H 26 3.941 3.913 0.028 2
1 197 . 1 1 A 26 26 ALA CB C 26 18.632 18.421 0.211 2
1 201 . 1 1 A 26 26 ALA C C 26 180.701 180.058 0.643 2
1 202 . 1 1 A 27 27 GLU N N 27 114.495 118.121 -3.626 2
1 203 . 1 1 A 27 27 GLU H H 27 6.760 7.949 -1.189 2
1 204 . 1 1 A 27 27 GLU CA C 27 58.170 59.206 -1.036 2
1 205 . 1 1 A 27 27 GLU HA H 27 3.847 3.895 -0.048 2
1 206 . 1 1 A 27 27 GLU CB C 27 30.158 29.283 0.875 2
1 210 . 1 1 A 27 27 GLU C C 27 178.856 178.760 0.096 2
1 213 . 1 1 A 28 28 LEU N N 28 121.928 121.623 0.305 2
1 214 . 1 1 A 28 28 LEU H H 28 6.961 7.466 -0.505 2
1 215 . 1 1 A 28 28 LEU CA C 28 57.950 57.645 0.305 2
1 216 . 1 1 A 28 28 LEU HA H 28 3.347 3.035 0.312 2
1 217 . 1 1 A 28 28 LEU CB C 28 40.130 41.481 -1.351 2
1 229 . 1 1 A 28 28 LEU C C 28 177.702 178.329 -0.627 2
1 231 . 1 1 A 29 29 VAL N N 29 119.082 119.258 -0.176 2
1 232 . 1 1 A 29 29 VAL H H 29 8.093 7.927 0.166 2
1 233 . 1 1 A 29 29 VAL CA C 29 66.576 66.873 -0.297 2
1 234 . 1 1 A 29 29 VAL HA H 29 3.614 3.449 0.166 2
1 235 . 1 1 A 29 29 VAL CB C 29 31.696 31.310 0.386 2
1 245 . 1 1 A 29 29 VAL C C 29 178.880 177.801 1.079 2
1 246 . 1 1 A 30 30 ARG N N 30 117.780 119.292 -1.512 2
1 247 . 1 1 A 30 30 ARG H H 30 7.334 8.208 -0.874 2
1 248 . 1 1 A 30 30 ARG CA C 30 59.465 58.830 0.635 2
1 249 . 1 1 A 30 30 ARG HA H 30 3.919 4.015 -0.096 2
1 250 . 1 1 A 30 30 ARG CB C 30 30.372 29.808 0.564 2
1 255 . 1 1 A 30 30 ARG C C 30 178.976 178.396 0.580 2
1 259 . 1 1 A 31 31 HIS N N 31 118.952 120.693 -1.741 2
1 260 . 1 1 A 31 31 HIS H H 31 7.707 7.853 -0.146 2
1 261 . 1 1 A 31 31 HIS CA C 31 59.106 59.249 -0.143 2
1 262 . 1 1 A 31 31 HIS HA H 31 4.197 4.122 0.075 2
1 263 . 1 1 A 31 31 HIS CB C 31 28.625 29.721 -1.096 2
1 269 . 1 1 A 31 31 HIS C C 31 176.294 177.043 -0.749 2
1 271 . 1 1 A 32 32 GLN N N 32 114.837 117.474 -2.637 2
1 272 . 1 1 A 32 32 GLN H H 32 8.512 8.357 0.155 2
1 273 . 1 1 A 32 32 GLN CA C 32 59.527 58.947 0.580 2
1 274 . 1 1 A 32 32 GLN HA H 32 3.682 3.705 -0.023 2
1 275 . 1 1 A 32 32 GLN CB C 32 28.414 28.298 0.116 2
1 282 . 1 1 A 32 32 GLN C C 32 177.046 178.416 -1.370 2
1 285 . 1 1 A 33 33 ARG N N 33 117.734 119.351 -1.617 2
1 286 . 1 1 A 33 33 ARG H H 33 7.088 7.943 -0.855 2
1 287 . 1 1 A 33 33 ARG CA C 33 58.432 58.826 -0.394 2
1 288 . 1 1 A 33 33 ARG HA H 33 4.115 4.068 0.047 2
1 289 . 1 1 A 33 33 ARG CB C 33 30.016 29.782 0.234 2
1 294 . 1 1 A 33 33 ARG C C 33 178.394 178.637 -0.243 2
1 298 . 1 1 A 34 34 ILE N N 34 115.478 116.965 -1.487 2
1 299 . 1 1 A 34 34 ILE H H 34 7.677 7.675 0.002 2
1 300 . 1 1 A 34 34 ILE CA C 34 63.060 63.684 -0.624 2
1 301 . 1 1 A 34 34 ILE HA H 34 3.947 3.696 0.251 2
1 302 . 1 1 A 34 34 ILE CB C 34 37.660 37.131 0.529 2
1 314 . 1 1 A 34 34 ILE C C 34 177.059 176.903 0.156 2
1 316 . 1 1 A 35 35 HIS N N 35 117.439 119.385 -1.946 2
1 317 . 1 1 A 35 35 HIS H H 35 7.180 7.573 -0.393 2
1 318 . 1 1 A 35 35 HIS CA C 35 54.820 57.469 -2.650 2
1 319 . 1 1 A 35 35 HIS HA H 35 4.666 4.198 0.468 2
1 320 . 1 1 A 35 35 HIS CB C 35 28.012 30.178 -2.166 2
1 326 . 1 1 A 35 35 HIS C C 35 175.578 175.289 0.289 2
1 328 . 1 1 A 36 36 THR N N 36 111.209 108.631 2.578 2
1 329 . 1 1 A 36 36 THR H H 36 7.590 7.668 -0.078 2
1 330 . 1 1 A 36 36 THR CA C 36 62.494 60.574 1.920 2
1 331 . 1 1 A 36 36 THR HA H 36 4.246 4.533 -0.287 2
1 332 . 1 1 A 36 36 THR CB C 36 69.710 70.376 -0.666 2
1 338 . 1 1 A 36 36 THR C C 36 175.421 173.990 1.431 2
1 339 . 1 1 A 37 37 GLY N N 37 110.931 111.692 -0.761 2
1 340 . 1 1 A 37 37 GLY H H 37 8.251 8.365 -0.114 2
1 341 . 1 1 A 37 37 GLY CA C 37 45.328 45.526 -0.198 2
1 342 . 1 1 A 37 37 GLY HA3 H 37 4.007 4.041 -0.034 2
1 343 . 1 1 A 37 37 GLY HA2 H 37 3.933 4.029 -0.096 2
1 344 . 1 1 A 38 38 GLU N N 38 120.496 121.054 -0.558 2
1 345 . 1 1 A 38 38 GLU H H 38 8.060 8.280 -0.220 2
1 346 . 1 1 A 38 38 GLU CA C 38 56.420 55.920 0.500 2
1 347 . 1 1 A 38 38 GLU HA H 38 4.251 4.537 -0.286 2
1 348 . 1 1 A 38 38 GLU CB C 38 30.580 30.892 -0.312 2
1 354 . 1 1 A 39 39 LYS N N 39 123.793 122.718 1.075 2
1 355 . 1 1 A 39 39 LYS H H 39 8.427 8.207 0.220 2
1 356 . 1 1 A 39 39 LYS CA C 39 54.155 53.828 0.327 2
1 357 . 1 1 A 39 39 LYS HA H 39 4.574 4.678 -0.104 2
1 358 . 1 1 A 39 39 LYS CB C 39 32.536 33.075 -0.539 2
1 370 . 1 1 A 40 40 PRO CA C 40 63.229 63.485 -0.256 2
1 371 . 1 1 A 40 40 PRO HA H 40 4.432 4.569 -0.137 2
1 372 . 1 1 A 40 40 PRO CB C 40 32.117 31.227 0.889 2
1 381 . 1 1 A 41 41 SER N N 41 116.420 115.515 0.905 2
1 382 . 1 1 A 41 41 SER H H 41 8.435 8.175 0.260 2
1 383 . 1 1 A 43 43 PRO CA C 43 63.289 63.490 -0.201 2
1 384 . 1 1 A 43 43 PRO HA H 43 4.477 4.548 -0.071 2
1 385 . 1 1 A 43 43 PRO CB C 43 32.212 31.872 0.340 2
1 394 . 1 1 A 45 45 SER CA C 45 58.417 59.386 -0.969 2
1 395 . 1 1 A 45 45 SER HA H 45 4.517 4.496 0.021 2
1 396 . 1 1 A 45 45 SER CB C 45 63.947 63.679 0.268 2
1 397 . 1 1 A 45 45 SER C C 45 173.927 174.810 -0.883 2
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