data_10199_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10199
_Entry.PDB_ID 2EMA
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 8 8 THR CA C 8 61.947 64.811 -2.864 1
1 2 . 1 1 1 A 8 8 THR HA H 8 4.342 4.131 0.211 1
1 3 . 1 1 1 A 8 8 THR CB C 8 69.725 68.528 1.197 1
1 9 . 1 1 1 A 9 9 GLY N N 9 110.629 113.163 -2.534 1
1 10 . 1 1 1 A 9 9 GLY H H 9 8.204 8.174 0.030 1
1 11 . 1 1 1 A 9 9 GLY CA C 9 45.276 45.578 -0.302 1
1 12 . 1 1 1 A 9 9 GLY HA3 H 9 3.987 3.996 -0.009 1
1 13 . 1 1 1 A 9 9 GLY HA2 H 9 3.937 3.992 -0.055 1
1 14 . 1 1 1 A 10 10 GLU N N 10 120.559 121.912 -1.353 1
1 15 . 1 1 1 A 10 10 GLU H H 10 8.088 7.970 0.118 1
1 16 . 1 1 1 A 10 10 GLU CA C 10 56.354 54.847 1.507 1
1 17 . 1 1 1 A 10 10 GLU HA H 10 4.215 4.451 -0.236 1
1 18 . 1 1 1 A 10 10 GLU CB C 10 30.414 29.602 0.812 1
1 21 . 1 1 1 A 10 10 GLU C C 10 176.435 175.097 1.338 1
1 24 . 1 1 1 A 11 11 LYS N N 11 123.361 126.299 -2.938 1
1 25 . 1 1 1 A 11 11 LYS H H 11 8.424 8.034 0.390 1
1 26 . 1 1 1 A 11 11 LYS CA C 11 56.048 56.095 -0.047 1
1 27 . 1 1 1 A 11 11 LYS HA H 11 4.197 4.017 0.180 1
1 28 . 1 1 1 A 11 11 LYS CB C 11 32.695 32.326 0.369 1
1 36 . 1 1 1 A 11 11 LYS C C 11 175.537 176.442 -0.905 1
1 41 . 1 1 1 A 12 12 ARG N N 12 120.764 124.051 -3.287 1
1 42 . 1 1 1 A 12 12 ARG H H 12 7.986 8.403 -0.417 1
1 43 . 1 1 1 A 12 12 ARG CA C 12 55.218 55.746 -0.528 1
1 44 . 1 1 1 A 12 12 ARG HA H 12 4.316 4.379 -0.063 1
1 45 . 1 1 1 A 12 12 ARG CB C 12 32.110 29.038 3.072 1
1 51 . 1 1 1 A 12 12 ARG C C 12 175.043 175.223 -0.180 1
1 55 . 1 1 1 A 13 13 TYR N N 13 121.086 125.347 -4.261 1
1 56 . 1 1 1 A 13 13 TYR H H 13 8.420 8.167 0.253 1
1 57 . 1 1 1 A 13 13 TYR CA C 13 57.592 59.579 -1.987 1
1 58 . 1 1 1 A 13 13 TYR HA H 13 4.559 4.627 -0.068 1
1 59 . 1 1 1 A 13 13 TYR CB C 13 38.873 38.673 0.200 1
1 69 . 1 1 1 A 13 13 TYR C C 13 173.957 175.329 -1.372 1
1 71 . 1 1 1 A 14 14 LYS N N 14 125.789 125.292 0.497 1
1 72 . 1 1 1 A 14 14 LYS H H 14 8.570 8.755 -0.185 1
1 73 . 1 1 1 A 14 14 LYS CA C 14 54.913 55.441 -0.528 1
1 74 . 1 1 1 A 14 14 LYS HA H 14 4.971 5.180 -0.209 1
1 75 . 1 1 1 A 14 14 LYS CB C 14 35.797 34.028 1.769 1
1 83 . 1 1 1 A 14 14 LYS C C 14 174.933 176.546 -1.613 1
1 88 . 1 1 1 A 15 15 CYS N N 15 127.853 125.342 2.511 1
1 89 . 1 1 1 A 15 15 CYS H H 15 9.319 9.372 -0.053 1
1 90 . 1 1 1 A 15 15 CYS CA C 15 59.341 59.126 0.215 1
1 91 . 1 1 1 A 15 15 CYS HA H 15 4.543 4.628 -0.085 1
1 92 . 1 1 1 A 15 15 CYS CB C 15 29.426 28.262 1.164 1
1 94 . 1 1 1 A 15 15 CYS C C 15 176.804 176.287 0.517 1
1 96 . 1 1 1 A 16 16 ASN N N 16 115.775 126.592 -10.817 1
1 97 . 1 1 1 A 16 16 ASN H H 16 9.413 9.016 0.397 1
1 98 . 1 1 1 A 16 16 ASN CA C 16 55.575 55.675 -0.100 1
1 99 . 1 1 1 A 16 16 ASN HA H 16 4.489 4.547 -0.058 1
1 100 . 1 1 1 A 16 16 ASN CB C 16 38.399 38.130 0.269 1
1 105 . 1 1 1 A 16 16 ASN C C 16 175.467 177.405 -1.938 1
1 107 . 1 1 1 A 17 17 GLU N N 17 120.746 119.648 1.098 1
1 108 . 1 1 1 A 17 17 GLU H H 17 8.638 7.855 0.783 1
1 109 . 1 1 1 A 17 17 GLU CA C 17 58.455 58.869 -0.414 1
1 110 . 1 1 1 A 17 17 GLU HA H 17 4.176 3.914 0.262 1
1 111 . 1 1 1 A 17 17 GLU CB C 17 29.410 29.385 0.025 1
1 115 . 1 1 1 A 17 17 GLU C C 17 177.060 178.363 -1.303 1
1 118 . 1 1 1 A 18 18 CYS N N 18 129.116 114.641 14.475 1
1 119 . 1 1 1 A 18 18 CYS H H 18 7.901 7.794 0.107 1
1 120 . 1 1 1 A 18 18 CYS CA C 18 58.282 59.855 -1.573 1
1 121 . 1 1 1 A 18 18 CYS HA H 18 5.150 4.482 0.668 1
1 122 . 1 1 1 A 18 18 CYS CB C 18 32.401 29.232 3.169 1
1 124 . 1 1 1 A 18 18 CYS C C 18 176.219 175.156 1.063 1
1 126 . 1 1 1 A 19 19 GLY N N 19 113.520 110.269 3.251 1
1 127 . 1 1 1 A 19 19 GLY H H 19 8.182 8.085 0.097 1
1 128 . 1 1 1 A 19 19 GLY CA C 19 46.219 45.136 1.083 1
1 129 . 1 1 1 A 19 19 GLY HA3 H 19 3.689 4.095 -0.406 1
1 130 . 1 1 1 A 19 19 GLY C C 19 173.588 174.406 -0.818 1
1 131 . 1 1 1 A 19 19 GLY HA2 H 19 4.213 4.078 0.135 1
1 132 . 1 1 1 A 20 20 LYS N N 20 122.589 119.964 2.625 1
1 133 . 1 1 1 A 20 20 LYS H H 20 7.851 7.432 0.419 1
1 134 . 1 1 1 A 20 20 LYS CA C 20 58.180 55.929 2.251 1
1 135 . 1 1 1 A 20 20 LYS HA H 20 3.939 4.557 -0.618 1
1 136 . 1 1 1 A 20 20 LYS CB C 20 33.798 34.400 -0.602 1
1 144 . 1 1 1 A 20 20 LYS C C 20 174.180 175.431 -1.251 1
1 149 . 1 1 1 A 21 21 VAL N N 21 117.610 117.657 -0.047 1
1 150 . 1 1 1 A 21 21 VAL H H 21 7.594 8.428 -0.834 1
1 151 . 1 1 1 A 21 21 VAL CA C 21 60.526 59.464 1.062 1
1 152 . 1 1 1 A 21 21 VAL HA H 21 4.679 5.340 -0.661 1
1 153 . 1 1 1 A 21 21 VAL CB C 21 34.022 35.781 -1.759 1
1 163 . 1 1 1 A 21 21 VAL C C 21 174.872 174.411 0.461 1
1 164 . 1 1 1 A 22 22 PHE N N 22 121.976 120.550 1.426 1
1 165 . 1 1 1 A 22 22 PHE H H 22 8.775 8.537 0.238 1
1 166 . 1 1 1 A 22 22 PHE CA C 22 56.821 56.817 0.004 1
1 167 . 1 1 1 A 22 22 PHE HA H 22 4.800 4.928 -0.128 1
1 168 . 1 1 1 A 22 22 PHE CB C 22 43.204 43.057 0.147 1
1 180 . 1 1 1 A 22 22 PHE C C 22 175.430 176.029 -0.599 1
1 182 . 1 1 1 A 23 23 SER CA C 23 60.085 61.865 -1.780 1
1 183 . 1 1 1 A 23 23 SER HA H 23 4.775 4.384 0.391 1
1 184 . 1 1 1 A 23 23 SER CB C 23 64.261 63.416 0.845 1
1 186 . 1 1 1 A 23 23 SER C C 23 174.312 174.995 -0.683 1
1 188 . 1 1 1 A 24 24 ARG N N 24 116.908 118.604 -1.696 1
1 189 . 1 1 1 A 24 24 ARG H H 24 7.615 7.925 -0.310 1
1 190 . 1 1 1 A 24 24 ARG CA C 24 54.212 54.404 -0.192 1
1 191 . 1 1 1 A 24 24 ARG HA H 24 4.694 4.994 -0.300 1
1 192 . 1 1 1 A 24 24 ARG CB C 24 33.940 33.561 0.379 1
1 198 . 1 1 1 A 24 24 ARG C C 24 176.291 176.552 -0.261 1
1 202 . 1 1 1 A 25 25 ASN CA C 25 56.082 55.576 0.506 1
1 203 . 1 1 1 A 25 25 ASN HA H 25 3.539 4.000 -0.461 1
1 204 . 1 1 1 A 25 25 ASN CB C 25 38.067 36.601 1.466 1
1 210 . 1 1 1 A 26 26 SER CA C 26 60.712 60.776 -0.064 1
1 211 . 1 1 1 A 26 26 SER HA H 26 4.006 4.111 -0.105 1
1 212 . 1 1 1 A 26 26 SER CB C 26 61.415 62.908 -1.493 1
1 214 . 1 1 1 A 26 26 SER C C 26 176.943 175.247 1.696 1
1 216 . 1 1 1 A 27 27 GLN N N 27 120.570 118.526 2.044 1
1 217 . 1 1 1 A 27 27 GLN H H 27 6.621 7.444 -0.823 1
1 218 . 1 1 1 A 27 27 GLN CA C 27 57.591 56.740 0.851 1
1 219 . 1 1 1 A 27 27 GLN HA H 27 3.978 4.244 -0.266 1
1 220 . 1 1 1 A 27 27 GLN CB C 27 28.835 29.415 -0.580 1
1 227 . 1 1 1 A 27 27 GLN C C 27 178.709 177.105 1.604 1
1 230 . 1 1 1 A 28 28 LEU N N 28 121.828 122.043 -0.215 1
1 231 . 1 1 1 A 28 28 LEU H H 28 6.936 7.645 -0.709 1
1 232 . 1 1 1 A 28 28 LEU CA C 28 57.924 56.790 1.134 1
1 233 . 1 1 1 A 28 28 LEU HA H 28 3.285 2.921 0.364 1
1 234 . 1 1 1 A 28 28 LEU CB C 28 40.174 42.125 -1.951 1
1 246 . 1 1 1 A 28 28 LEU C C 28 177.664 177.963 -0.299 1
1 248 . 1 1 1 A 29 29 SER N N 29 114.464 114.897 -0.433 1
1 249 . 1 1 1 A 29 29 SER H H 29 8.367 8.194 0.173 1
1 250 . 1 1 1 A 29 29 SER CA C 29 61.619 61.508 0.111 1
1 251 . 1 1 1 A 29 29 SER HA H 29 4.166 3.934 0.232 1
1 252 . 1 1 1 A 29 29 SER CB C 29 62.410 62.783 -0.373 1
1 254 . 1 1 1 A 29 29 SER C C 29 177.169 176.809 0.360 1
1 256 . 1 1 1 A 30 30 GLN N N 30 119.104 118.342 0.762 1
1 257 . 1 1 1 A 30 30 GLN H H 30 7.378 8.480 -1.102 1
1 258 . 1 1 1 A 30 30 GLN CA C 30 58.502 57.553 0.949 1
1 259 . 1 1 1 A 30 30 GLN HA H 30 3.949 4.142 -0.193 1
1 260 . 1 1 1 A 30 30 GLN CB C 30 28.439 27.100 1.339 1
1 267 . 1 1 1 A 30 30 GLN C C 30 178.325 177.796 0.529 1
1 270 . 1 1 1 A 31 31 HIS N N 31 119.372 119.796 -0.424 1
1 271 . 1 1 1 A 31 31 HIS H H 31 7.619 8.278 -0.659 1
1 272 . 1 1 1 A 31 31 HIS CA C 31 59.042 58.958 0.084 1
1 273 . 1 1 1 A 31 31 HIS HA H 31 4.149 4.158 -0.009 1
1 274 . 1 1 1 A 31 31 HIS CB C 31 28.503 29.943 -1.440 1
1 280 . 1 1 1 A 31 31 HIS C C 31 176.154 177.280 -1.126 1
1 282 . 1 1 1 A 32 32 GLN N N 32 114.990 118.634 -3.644 1
1 283 . 1 1 1 A 32 32 GLN H H 32 8.319 8.769 -0.450 1
1 284 . 1 1 1 A 32 32 GLN CA C 32 59.299 58.188 1.111 1
1 285 . 1 1 1 A 32 32 GLN HA H 32 3.653 4.048 -0.395 1
1 286 . 1 1 1 A 32 32 GLN CB C 32 28.260 28.536 -0.276 1
1 293 . 1 1 1 A 32 32 GLN C C 32 177.281 177.359 -0.078 1
1 296 . 1 1 1 A 33 33 LYS N N 33 117.343 117.011 0.332 1
1 297 . 1 1 1 A 33 33 LYS H H 33 7.039 7.866 -0.827 1
1 298 . 1 1 1 A 33 33 LYS CA C 33 58.503 58.427 0.076 1
1 299 . 1 1 1 A 33 33 LYS HA H 33 4.067 4.127 -0.060 1
1 300 . 1 1 1 A 33 33 LYS CB C 33 32.207 32.598 -0.391 1
1 308 . 1 1 1 A 33 33 LYS C C 33 178.726 178.214 0.512 1
1 313 . 1 1 1 A 34 34 ILE N N 34 116.207 117.450 -1.243 1
1 314 . 1 1 1 A 34 34 ILE H H 34 7.787 7.942 -0.155 1
1 315 . 1 1 1 A 34 34 ILE CA C 34 62.920 63.709 -0.789 1
1 316 . 1 1 1 A 34 34 ILE HA H 34 3.951 3.834 0.117 1
1 317 . 1 1 1 A 34 34 ILE CB C 34 37.707 36.898 0.809 1
1 329 . 1 1 1 A 34 34 ILE C C 34 177.373 177.666 -0.293 1
1 331 . 1 1 1 A 35 35 HIS N N 35 117.836 120.821 -2.985 1
1 332 . 1 1 1 A 35 35 HIS H H 35 7.199 7.763 -0.564 1
1 333 . 1 1 1 A 35 35 HIS CA C 35 55.161 59.607 -4.446 1
1 334 . 1 1 1 A 35 35 HIS HA H 35 4.846 4.177 0.669 1
1 335 . 1 1 1 A 35 35 HIS CB C 35 28.503 29.651 -1.148 1
1 341 . 1 1 1 A 35 35 HIS C C 35 175.779 177.929 -2.150 1
1 343 . 1 1 1 A 36 36 THR N N 36 111.873 111.417 0.456 1
1 344 . 1 1 1 A 36 36 THR H H 36 7.764 7.872 -0.108 1
1 345 . 1 1 1 A 36 36 THR CA C 36 62.503 64.441 -1.938 1
1 346 . 1 1 1 A 36 36 THR HA H 36 4.321 4.077 0.244 1
1 347 . 1 1 1 A 36 36 THR CB C 36 69.764 69.290 0.474 1
1 353 . 1 1 1 A 36 36 THR C C 36 175.480 175.152 0.328 1
1 354 . 1 1 1 A 37 37 GLY CA C 37 45.290 46.455 -1.165 1
1 355 . 1 1 1 A 37 37 GLY HA2 H 37 3.948 3.921 0.027 1
1 356 . 1 1 1 A 38 38 GLU N N 38 120.760 120.498 0.262 1
1 357 . 1 1 1 A 38 38 GLU H H 38 8.217 8.313 -0.096 1
1 358 . 1 1 1 A 38 38 GLU CA C 38 56.439 55.590 0.849 1
1 359 . 1 1 1 A 38 38 GLU HA H 38 4.217 4.707 -0.490 1
1 360 . 1 1 1 A 38 38 GLU CB C 38 30.508 29.199 1.309 1
1 364 . 1 1 1 A 38 38 GLU C C 38 176.214 176.188 0.026 1
1 367 . 1 1 1 A 39 39 LYS N N 39 123.748 123.998 -0.250 1
1 368 . 1 1 1 A 39 39 LYS H H 39 8.367 8.264 0.103 1
1 369 . 1 1 1 A 39 39 LYS CA C 39 54.060 53.898 0.162 1
1 370 . 1 1 1 A 39 39 LYS HA H 39 4.579 4.611 -0.032 1
1 371 . 1 1 1 A 39 39 LYS CB C 39 32.498 31.820 0.678 1
1 379 . 1 1 1 A 39 39 LYS C C 39 174.434 174.515 -0.081 1
1 384 . 1 1 1 A 40 40 PRO CA C 40 63.176 62.273 0.903 1
1 385 . 1 1 1 A 40 40 PRO HA H 40 4.425 4.603 -0.178 1
1 386 . 1 1 1 A 40 40 PRO CB C 40 32.185 32.594 -0.409 1
1 395 . 1 1 1 A 41 41 SER N N 41 116.530 117.517 -0.987 1
1 396 . 1 1 1 A 41 41 SER H H 41 8.478 8.495 -0.017 1
1 397 . 1 1 1 A 43 43 PRO CA C 43 63.216 64.409 -1.193 1
1 398 . 1 1 1 A 43 43 PRO HA H 43 4.443 4.365 0.078 1
1 399 . 1 1 1 A 43 43 PRO CB C 43 32.152 31.766 0.386 1
1 408 . 1 1 1 A 45 45 SER CA C 45 58.350 57.997 0.353 1
1 409 . 1 1 1 A 45 45 SER HA H 45 4.462 4.729 -0.267 1
1 410 . 1 1 1 A 45 45 SER CB C 45 63.976 61.575 2.401 1
1 1 . 2 1 1 A 8 8 THR CA C 8 61.947 60.788 1.159 1
1 2 . 2 1 1 A 8 8 THR HA H 8 4.342 4.420 -0.078 1
1 3 . 2 1 1 A 8 8 THR CB C 8 69.725 68.542 1.183 1
1 9 . 2 1 1 A 9 9 GLY N N 9 110.629 116.671 -6.042 1
1 10 . 2 1 1 A 9 9 GLY H H 9 8.204 8.933 -0.729 1
1 11 . 2 1 1 A 9 9 GLY CA C 9 45.276 46.013 -0.737 1
1 12 . 2 1 1 A 9 9 GLY HA3 H 9 3.987 3.854 0.133 1
1 13 . 2 1 1 A 9 9 GLY HA2 H 9 3.937 3.853 0.084 1
1 14 . 2 1 1 A 10 10 GLU N N 10 120.559 121.323 -0.764 1
1 15 . 2 1 1 A 10 10 GLU H H 10 8.088 8.501 -0.413 1
1 16 . 2 1 1 A 10 10 GLU CA C 10 56.354 54.435 1.919 1
1 17 . 2 1 1 A 10 10 GLU HA H 10 4.215 5.122 -0.907 1
1 18 . 2 1 1 A 10 10 GLU CB C 10 30.414 33.851 -3.437 1
1 21 . 2 1 1 A 10 10 GLU C C 10 176.435 174.532 1.903 1
1 24 . 2 1 1 A 11 11 LYS N N 11 123.361 119.336 4.025 1
1 25 . 2 1 1 A 11 11 LYS H H 11 8.424 8.695 -0.271 1
1 26 . 2 1 1 A 11 11 LYS CA C 11 56.048 55.358 0.690 1
1 27 . 2 1 1 A 11 11 LYS HA H 11 4.197 4.862 -0.665 1
1 28 . 2 1 1 A 11 11 LYS CB C 11 32.695 33.585 -0.890 1
1 36 . 2 1 1 A 11 11 LYS C C 11 175.537 175.540 -0.003 1
1 41 . 2 1 1 A 12 12 ARG N N 12 120.764 122.957 -2.193 1
1 42 . 2 1 1 A 12 12 ARG H H 12 7.986 8.961 -0.975 1
1 43 . 2 1 1 A 12 12 ARG CA C 12 55.218 54.664 0.554 1
1 44 . 2 1 1 A 12 12 ARG HA H 12 4.316 4.947 -0.631 1
1 45 . 2 1 1 A 12 12 ARG CB C 12 32.110 32.245 -0.135 1
1 51 . 2 1 1 A 12 12 ARG C C 12 175.043 174.572 0.471 1
1 55 . 2 1 1 A 13 13 TYR N N 13 121.086 124.581 -3.495 1
1 56 . 2 1 1 A 13 13 TYR H H 13 8.420 8.228 0.192 1
1 57 . 2 1 1 A 13 13 TYR CA C 13 57.592 58.427 -0.835 1
1 58 . 2 1 1 A 13 13 TYR HA H 13 4.559 4.736 -0.177 1
1 59 . 2 1 1 A 13 13 TYR CB C 13 38.873 38.077 0.796 1
1 69 . 2 1 1 A 13 13 TYR C C 13 173.957 175.295 -1.338 1
1 71 . 2 1 1 A 14 14 LYS N N 14 125.789 126.078 -0.289 1
1 72 . 2 1 1 A 14 14 LYS H H 14 8.570 8.784 -0.214 1
1 73 . 2 1 1 A 14 14 LYS CA C 14 54.913 55.542 -0.629 1
1 74 . 2 1 1 A 14 14 LYS HA H 14 4.971 5.066 -0.095 1
1 75 . 2 1 1 A 14 14 LYS CB C 14 35.797 33.923 1.874 1
1 83 . 2 1 1 A 14 14 LYS C C 14 174.933 176.648 -1.715 1
1 88 . 2 1 1 A 15 15 CYS N N 15 127.853 125.376 2.477 1
1 89 . 2 1 1 A 15 15 CYS H H 15 9.319 9.331 -0.012 1
1 90 . 2 1 1 A 15 15 CYS CA C 15 59.341 59.763 -0.422 1
1 91 . 2 1 1 A 15 15 CYS HA H 15 4.543 4.619 -0.076 1
1 92 . 2 1 1 A 15 15 CYS CB C 15 29.426 28.438 0.988 1
1 94 . 2 1 1 A 15 15 CYS C C 15 176.804 176.134 0.670 1
1 96 . 2 1 1 A 16 16 ASN N N 16 115.775 126.548 -10.773 1
1 97 . 2 1 1 A 16 16 ASN H H 16 9.413 9.070 0.343 1
1 98 . 2 1 1 A 16 16 ASN CA C 16 55.575 54.958 0.617 1
1 99 . 2 1 1 A 16 16 ASN HA H 16 4.489 4.723 -0.234 1
1 100 . 2 1 1 A 16 16 ASN CB C 16 38.399 38.232 0.167 1
1 105 . 2 1 1 A 16 16 ASN C C 16 175.467 175.845 -0.378 1
1 107 . 2 1 1 A 17 17 GLU N N 17 120.746 117.257 3.489 1
1 108 . 2 1 1 A 17 17 GLU H H 17 8.638 7.932 0.706 1
1 109 . 2 1 1 A 17 17 GLU CA C 17 58.455 57.961 0.494 1
1 110 . 2 1 1 A 17 17 GLU HA H 17 4.176 4.199 -0.023 1
1 111 . 2 1 1 A 17 17 GLU CB C 17 29.410 30.246 -0.836 1
1 115 . 2 1 1 A 17 17 GLU C C 17 177.060 177.879 -0.819 1
1 118 . 2 1 1 A 18 18 CYS N N 18 129.116 114.733 14.383 1
1 119 . 2 1 1 A 18 18 CYS H H 18 7.901 7.911 -0.010 1
1 120 . 2 1 1 A 18 18 CYS CA C 18 58.282 59.742 -1.460 1
1 121 . 2 1 1 A 18 18 CYS HA H 18 5.150 4.605 0.545 1
1 122 . 2 1 1 A 18 18 CYS CB C 18 32.401 29.876 2.525 1
1 124 . 2 1 1 A 18 18 CYS C C 18 176.219 175.392 0.827 1
1 126 . 2 1 1 A 19 19 GLY N N 19 113.520 109.878 3.642 1
1 127 . 2 1 1 A 19 19 GLY H H 19 8.182 7.963 0.219 1
1 128 . 2 1 1 A 19 19 GLY CA C 19 46.219 45.052 1.167 1
1 129 . 2 1 1 A 19 19 GLY HA3 H 19 3.689 4.095 -0.406 1
1 130 . 2 1 1 A 19 19 GLY C C 19 173.588 174.422 -0.834 1
1 131 . 2 1 1 A 19 19 GLY HA2 H 19 4.213 4.083 0.130 1
1 132 . 2 1 1 A 20 20 LYS N N 20 122.589 119.961 2.628 1
1 133 . 2 1 1 A 20 20 LYS H H 20 7.851 7.408 0.443 1
1 134 . 2 1 1 A 20 20 LYS CA C 20 58.180 55.950 2.230 1
1 135 . 2 1 1 A 20 20 LYS HA H 20 3.939 4.501 -0.562 1
1 136 . 2 1 1 A 20 20 LYS CB C 20 33.798 34.309 -0.511 1
1 144 . 2 1 1 A 20 20 LYS C C 20 174.180 175.302 -1.122 1
1 149 . 2 1 1 A 21 21 VAL N N 21 117.610 117.058 0.552 1
1 150 . 2 1 1 A 21 21 VAL H H 21 7.594 8.230 -0.636 1
1 151 . 2 1 1 A 21 21 VAL CA C 21 60.526 59.186 1.340 1
1 152 . 2 1 1 A 21 21 VAL HA H 21 4.679 5.250 -0.571 1
1 153 . 2 1 1 A 21 21 VAL CB C 21 34.022 36.026 -2.004 1
1 163 . 2 1 1 A 21 21 VAL C C 21 174.872 174.212 0.660 1
1 164 . 2 1 1 A 22 22 PHE N N 22 121.976 120.021 1.955 1
1 165 . 2 1 1 A 22 22 PHE H H 22 8.775 8.450 0.325 1
1 166 . 2 1 1 A 22 22 PHE CA C 22 56.821 56.539 0.282 1
1 167 . 2 1 1 A 22 22 PHE HA H 22 4.800 4.983 -0.183 1
1 168 . 2 1 1 A 22 22 PHE CB C 22 43.204 43.673 -0.469 1
1 180 . 2 1 1 A 22 22 PHE C C 22 175.430 175.417 0.013 1
1 182 . 2 1 1 A 23 23 SER CA C 23 60.085 59.448 0.637 1
1 183 . 2 1 1 A 23 23 SER HA H 23 4.775 4.360 0.415 1
1 184 . 2 1 1 A 23 23 SER CB C 23 64.261 63.712 0.549 1
1 186 . 2 1 1 A 23 23 SER C C 23 174.312 174.665 -0.353 1
1 188 . 2 1 1 A 24 24 ARG N N 24 116.908 120.762 -3.854 1
1 189 . 2 1 1 A 24 24 ARG H H 24 7.615 8.015 -0.400 1
1 190 . 2 1 1 A 24 24 ARG CA C 24 54.212 54.609 -0.397 1
1 191 . 2 1 1 A 24 24 ARG HA H 24 4.694 4.990 -0.296 1
1 192 . 2 1 1 A 24 24 ARG CB C 24 33.940 33.126 0.814 1
1 198 . 2 1 1 A 24 24 ARG C C 24 176.291 176.807 -0.516 1
1 202 . 2 1 1 A 25 25 ASN CA C 25 56.082 56.100 -0.018 1
1 203 . 2 1 1 A 25 25 ASN HA H 25 3.539 4.318 -0.779 1
1 204 . 2 1 1 A 25 25 ASN CB C 25 38.067 37.575 0.492 1
1 210 . 2 1 1 A 26 26 SER CA C 26 60.712 61.212 -0.500 1
1 211 . 2 1 1 A 26 26 SER HA H 26 4.006 4.140 -0.134 1
1 212 . 2 1 1 A 26 26 SER CB C 26 61.415 63.084 -1.669 1
1 214 . 2 1 1 A 26 26 SER C C 26 176.943 174.760 2.183 1
1 216 . 2 1 1 A 27 27 GLN N N 27 120.570 118.715 1.855 1
1 217 . 2 1 1 A 27 27 GLN H H 27 6.621 7.762 -1.141 1
1 218 . 2 1 1 A 27 27 GLN CA C 27 57.591 57.222 0.369 1
1 219 . 2 1 1 A 27 27 GLN HA H 27 3.978 4.297 -0.319 1
1 220 . 2 1 1 A 27 27 GLN CB C 27 28.835 29.043 -0.208 1
1 227 . 2 1 1 A 27 27 GLN C C 27 178.709 177.821 0.888 1
1 230 . 2 1 1 A 28 28 LEU N N 28 121.828 122.153 -0.325 1
1 231 . 2 1 1 A 28 28 LEU H H 28 6.936 7.393 -0.457 1
1 232 . 2 1 1 A 28 28 LEU CA C 28 57.924 56.808 1.116 1
1 233 . 2 1 1 A 28 28 LEU HA H 28 3.285 2.593 0.692 1
1 234 . 2 1 1 A 28 28 LEU CB C 28 40.174 41.678 -1.504 1
1 246 . 2 1 1 A 28 28 LEU C C 28 177.664 178.020 -0.356 1
1 248 . 2 1 1 A 29 29 SER N N 29 114.464 114.894 -0.430 1
1 249 . 2 1 1 A 29 29 SER H H 29 8.367 8.223 0.144 1
1 250 . 2 1 1 A 29 29 SER CA C 29 61.619 61.556 0.063 1
1 251 . 2 1 1 A 29 29 SER HA H 29 4.166 4.156 0.010 1
1 252 . 2 1 1 A 29 29 SER CB C 29 62.410 62.866 -0.456 1
1 254 . 2 1 1 A 29 29 SER C C 29 177.169 176.770 0.399 1
1 256 . 2 1 1 A 30 30 GLN N N 30 119.104 118.391 0.713 1
1 257 . 2 1 1 A 30 30 GLN H H 30 7.378 8.427 -1.049 1
1 258 . 2 1 1 A 30 30 GLN CA C 30 58.502 57.754 0.748 1
1 259 . 2 1 1 A 30 30 GLN HA H 30 3.949 4.147 -0.198 1
1 260 . 2 1 1 A 30 30 GLN CB C 30 28.439 27.594 0.845 1
1 267 . 2 1 1 A 30 30 GLN C C 30 178.325 177.734 0.591 1
1 270 . 2 1 1 A 31 31 HIS N N 31 119.372 119.836 -0.464 1
1 271 . 2 1 1 A 31 31 HIS H H 31 7.619 8.320 -0.701 1
1 272 . 2 1 1 A 31 31 HIS CA C 31 59.042 59.209 -0.167 1
1 273 . 2 1 1 A 31 31 HIS HA H 31 4.149 4.203 -0.054 1
1 274 . 2 1 1 A 31 31 HIS CB C 31 28.503 30.312 -1.809 1
1 280 . 2 1 1 A 31 31 HIS C C 31 176.154 177.276 -1.122 1
1 282 . 2 1 1 A 32 32 GLN N N 32 114.990 118.885 -3.895 1
1 283 . 2 1 1 A 32 32 GLN H H 32 8.319 8.733 -0.414 1
1 284 . 2 1 1 A 32 32 GLN CA C 32 59.299 59.140 0.159 1
1 285 . 2 1 1 A 32 32 GLN HA H 32 3.653 3.996 -0.343 1
1 286 . 2 1 1 A 32 32 GLN CB C 32 28.260 28.193 0.067 1
1 293 . 2 1 1 A 32 32 GLN C C 32 177.281 178.279 -0.998 1
1 296 . 2 1 1 A 33 33 LYS N N 33 117.343 117.693 -0.350 1
1 297 . 2 1 1 A 33 33 LYS H H 33 7.039 7.570 -0.531 1
1 298 . 2 1 1 A 33 33 LYS CA C 33 58.503 58.872 -0.369 1
1 299 . 2 1 1 A 33 33 LYS HA H 33 4.067 4.208 -0.141 1
1 300 . 2 1 1 A 33 33 LYS CB C 33 32.207 31.754 0.453 1
1 308 . 2 1 1 A 33 33 LYS C C 33 178.726 178.180 0.546 1
1 313 . 2 1 1 A 34 34 ILE N N 34 116.207 116.805 -0.598 1
1 314 . 2 1 1 A 34 34 ILE H H 34 7.787 7.846 -0.059 1
1 315 . 2 1 1 A 34 34 ILE CA C 34 62.920 63.858 -0.938 1
1 316 . 2 1 1 A 34 34 ILE HA H 34 3.951 3.718 0.233 1
1 317 . 2 1 1 A 34 34 ILE CB C 34 37.707 37.053 0.654 1
1 329 . 2 1 1 A 34 34 ILE C C 34 177.373 177.612 -0.239 1
1 331 . 2 1 1 A 35 35 HIS N N 35 117.836 119.881 -2.045 1
1 332 . 2 1 1 A 35 35 HIS H H 35 7.199 7.374 -0.175 1
1 333 . 2 1 1 A 35 35 HIS CA C 35 55.161 58.941 -3.780 1
1 334 . 2 1 1 A 35 35 HIS HA H 35 4.846 4.444 0.402 1
1 335 . 2 1 1 A 35 35 HIS CB C 35 28.503 31.006 -2.503 1
1 341 . 2 1 1 A 35 35 HIS C C 35 175.779 176.379 -0.600 1
1 343 . 2 1 1 A 36 36 THR N N 36 111.873 108.838 3.035 1
1 344 . 2 1 1 A 36 36 THR H H 36 7.764 7.833 -0.069 1
1 345 . 2 1 1 A 36 36 THR CA C 36 62.503 61.334 1.169 1
1 346 . 2 1 1 A 36 36 THR HA H 36 4.321 4.292 0.029 1
1 347 . 2 1 1 A 36 36 THR CB C 36 69.764 68.635 1.129 1
1 353 . 2 1 1 A 36 36 THR C C 36 175.480 174.263 1.217 1
1 354 . 2 1 1 A 37 37 GLY CA C 37 45.290 45.869 -0.579 1
1 355 . 2 1 1 A 37 37 GLY HA2 H 37 3.948 4.036 -0.088 1
1 356 . 2 1 1 A 38 38 GLU N N 38 120.760 124.815 -4.055 1
1 357 . 2 1 1 A 38 38 GLU H H 38 8.217 9.223 -1.006 1
1 358 . 2 1 1 A 38 38 GLU CA C 38 56.439 54.433 2.006 1
1 359 . 2 1 1 A 38 38 GLU HA H 38 4.217 4.916 -0.699 1
1 360 . 2 1 1 A 38 38 GLU CB C 38 30.508 34.449 -3.941 1
1 364 . 2 1 1 A 38 38 GLU C C 38 176.214 175.070 1.144 1
1 367 . 2 1 1 A 39 39 LYS N N 39 123.748 121.243 2.505 1
1 368 . 2 1 1 A 39 39 LYS H H 39 8.367 8.532 -0.165 1
1 369 . 2 1 1 A 39 39 LYS CA C 39 54.060 53.134 0.926 1
1 370 . 2 1 1 A 39 39 LYS HA H 39 4.579 4.784 -0.205 1
1 371 . 2 1 1 A 39 39 LYS CB C 39 32.498 33.734 -1.236 1
1 379 . 2 1 1 A 39 39 LYS C C 39 174.434 176.237 -1.803 1
1 384 . 2 1 1 A 40 40 PRO CA C 40 63.176 65.011 -1.835 1
1 385 . 2 1 1 A 40 40 PRO HA H 40 4.425 4.339 0.086 1
1 386 . 2 1 1 A 40 40 PRO CB C 40 32.185 31.979 0.206 1
1 395 . 2 1 1 A 41 41 SER N N 41 116.530 111.478 5.052 1
1 396 . 2 1 1 A 41 41 SER H H 41 8.478 8.136 0.342 1
1 397 . 2 1 1 A 43 43 PRO CA C 43 63.216 62.956 0.260 1
1 398 . 2 1 1 A 43 43 PRO HA H 43 4.443 4.481 -0.038 1
1 399 . 2 1 1 A 43 43 PRO CB C 43 32.152 30.289 1.863 1
1 408 . 2 1 1 A 45 45 SER CA C 45 58.350 60.182 -1.832 1
1 409 . 2 1 1 A 45 45 SER HA H 45 4.462 4.333 0.129 1
1 410 . 2 1 1 A 45 45 SER CB C 45 63.976 63.845 0.131 1
1 1 . 3 1 1 A 8 8 THR CA C 8 61.947 62.097 -0.150 1
1 2 . 3 1 1 A 8 8 THR HA H 8 4.342 4.409 -0.067 1
1 3 . 3 1 1 A 8 8 THR CB C 8 69.725 70.236 -0.511 1
1 9 . 3 1 1 A 9 9 GLY N N 9 110.629 109.545 1.084 1
1 10 . 3 1 1 A 9 9 GLY H H 9 8.204 8.650 -0.446 1
1 11 . 3 1 1 A 9 9 GLY CA C 9 45.276 44.907 0.369 1
1 12 . 3 1 1 A 9 9 GLY HA3 H 9 3.987 4.283 -0.296 1
1 13 . 3 1 1 A 9 9 GLY HA2 H 9 3.937 4.283 -0.346 1
1 14 . 3 1 1 A 10 10 GLU N N 10 120.559 123.896 -3.337 1
1 15 . 3 1 1 A 10 10 GLU H H 10 8.088 8.531 -0.443 1
1 16 . 3 1 1 A 10 10 GLU CA C 10 56.354 57.190 -0.836 1
1 17 . 3 1 1 A 10 10 GLU HA H 10 4.215 4.242 -0.027 1
1 18 . 3 1 1 A 10 10 GLU CB C 10 30.414 29.967 0.447 1
1 21 . 3 1 1 A 10 10 GLU C C 10 176.435 176.521 -0.086 1
1 24 . 3 1 1 A 11 11 LYS N N 11 123.361 122.832 0.529 1
1 25 . 3 1 1 A 11 11 LYS H H 11 8.424 8.315 0.109 1
1 26 . 3 1 1 A 11 11 LYS CA C 11 56.048 56.342 -0.294 1
1 27 . 3 1 1 A 11 11 LYS HA H 11 4.197 4.200 -0.003 1
1 28 . 3 1 1 A 11 11 LYS CB C 11 32.695 32.740 -0.045 1
1 36 . 3 1 1 A 11 11 LYS C C 11 175.537 175.982 -0.445 1
1 41 . 3 1 1 A 12 12 ARG N N 12 120.764 123.606 -2.842 1
1 42 . 3 1 1 A 12 12 ARG H H 12 7.986 8.349 -0.363 1
1 43 . 3 1 1 A 12 12 ARG CA C 12 55.218 55.315 -0.097 1
1 44 . 3 1 1 A 12 12 ARG HA H 12 4.316 4.359 -0.043 1
1 45 . 3 1 1 A 12 12 ARG CB C 12 32.110 30.906 1.204 1
1 51 . 3 1 1 A 12 12 ARG C C 12 175.043 174.953 0.090 1
1 55 . 3 1 1 A 13 13 TYR N N 13 121.086 124.824 -3.738 1
1 56 . 3 1 1 A 13 13 TYR H H 13 8.420 8.264 0.156 1
1 57 . 3 1 1 A 13 13 TYR CA C 13 57.592 58.284 -0.692 1
1 58 . 3 1 1 A 13 13 TYR HA H 13 4.559 4.769 -0.210 1
1 59 . 3 1 1 A 13 13 TYR CB C 13 38.873 38.086 0.787 1
1 69 . 3 1 1 A 13 13 TYR C C 13 173.957 175.231 -1.274 1
1 71 . 3 1 1 A 14 14 LYS N N 14 125.789 126.068 -0.279 1
1 72 . 3 1 1 A 14 14 LYS H H 14 8.570 8.872 -0.302 1
1 73 . 3 1 1 A 14 14 LYS CA C 14 54.913 55.452 -0.539 1
1 74 . 3 1 1 A 14 14 LYS HA H 14 4.971 5.153 -0.182 1
1 75 . 3 1 1 A 14 14 LYS CB C 14 35.797 33.868 1.929 1
1 83 . 3 1 1 A 14 14 LYS C C 14 174.933 176.454 -1.521 1
1 88 . 3 1 1 A 15 15 CYS N N 15 127.853 125.028 2.825 1
1 89 . 3 1 1 A 15 15 CYS H H 15 9.319 9.270 0.049 1
1 90 . 3 1 1 A 15 15 CYS CA C 15 59.341 58.995 0.346 1
1 91 . 3 1 1 A 15 15 CYS HA H 15 4.543 4.672 -0.129 1
1 92 . 3 1 1 A 15 15 CYS CB C 15 29.426 27.901 1.525 1
1 94 . 3 1 1 A 15 15 CYS C C 15 176.804 176.099 0.705 1
1 96 . 3 1 1 A 16 16 ASN N N 16 115.775 126.118 -10.343 1
1 97 . 3 1 1 A 16 16 ASN H H 16 9.413 9.011 0.402 1
1 98 . 3 1 1 A 16 16 ASN CA C 16 55.575 55.574 0.001 1
1 99 . 3 1 1 A 16 16 ASN HA H 16 4.489 4.563 -0.074 1
1 100 . 3 1 1 A 16 16 ASN CB C 16 38.399 38.170 0.229 1
1 105 . 3 1 1 A 16 16 ASN C C 16 175.467 177.447 -1.980 1
1 107 . 3 1 1 A 17 17 GLU N N 17 120.746 119.027 1.719 1
1 108 . 3 1 1 A 17 17 GLU H H 17 8.638 7.954 0.684 1
1 109 . 3 1 1 A 17 17 GLU CA C 17 58.455 58.826 -0.371 1
1 110 . 3 1 1 A 17 17 GLU HA H 17 4.176 3.975 0.201 1
1 111 . 3 1 1 A 17 17 GLU CB C 17 29.410 29.641 -0.231 1
1 115 . 3 1 1 A 17 17 GLU C C 17 177.060 178.277 -1.217 1
1 118 . 3 1 1 A 18 18 CYS N N 18 129.116 114.593 14.523 1
1 119 . 3 1 1 A 18 18 CYS H H 18 7.901 7.867 0.034 1
1 120 . 3 1 1 A 18 18 CYS CA C 18 58.282 59.859 -1.577 1
1 121 . 3 1 1 A 18 18 CYS HA H 18 5.150 4.502 0.648 1
1 122 . 3 1 1 A 18 18 CYS CB C 18 32.401 29.297 3.104 1
1 124 . 3 1 1 A 18 18 CYS C C 18 176.219 175.214 1.005 1
1 126 . 3 1 1 A 19 19 GLY N N 19 113.520 109.845 3.675 1
1 127 . 3 1 1 A 19 19 GLY H H 19 8.182 7.763 0.419 1
1 128 . 3 1 1 A 19 19 GLY CA C 19 46.219 45.033 1.186 1
1 129 . 3 1 1 A 19 19 GLY HA3 H 19 3.689 4.095 -0.406 1
1 130 . 3 1 1 A 19 19 GLY C C 19 173.588 174.839 -1.251 1
1 131 . 3 1 1 A 19 19 GLY HA2 H 19 4.213 4.078 0.135 1
1 132 . 3 1 1 A 20 20 LYS N N 20 122.589 120.528 2.061 1
1 133 . 3 1 1 A 20 20 LYS H H 20 7.851 7.489 0.362 1
1 134 . 3 1 1 A 20 20 LYS CA C 20 58.180 56.468 1.712 1
1 135 . 3 1 1 A 20 20 LYS HA H 20 3.939 4.329 -0.390 1
1 136 . 3 1 1 A 20 20 LYS CB C 20 33.798 34.316 -0.518 1
1 144 . 3 1 1 A 20 20 LYS C C 20 174.180 175.409 -1.229 1
1 149 . 3 1 1 A 21 21 VAL N N 21 117.610 117.209 0.401 1
1 150 . 3 1 1 A 21 21 VAL H H 21 7.594 8.256 -0.662 1
1 151 . 3 1 1 A 21 21 VAL CA C 21 60.526 59.373 1.153 1
1 152 . 3 1 1 A 21 21 VAL HA H 21 4.679 5.254 -0.575 1
1 153 . 3 1 1 A 21 21 VAL CB C 21 34.022 36.037 -2.015 1
1 163 . 3 1 1 A 21 21 VAL C C 21 174.872 174.770 0.102 1
1 164 . 3 1 1 A 22 22 PHE N N 22 121.976 120.646 1.330 1
1 165 . 3 1 1 A 22 22 PHE H H 22 8.775 8.728 0.047 1
1 166 . 3 1 1 A 22 22 PHE CA C 22 56.821 56.413 0.408 1
1 167 . 3 1 1 A 22 22 PHE HA H 22 4.800 5.038 -0.238 1
1 168 . 3 1 1 A 22 22 PHE CB C 22 43.204 41.375 1.829 1
1 180 . 3 1 1 A 22 22 PHE C C 22 175.430 176.022 -0.592 1
1 182 . 3 1 1 A 23 23 SER CA C 23 60.085 62.228 -2.143 1
1 183 . 3 1 1 A 23 23 SER HA H 23 4.775 4.159 0.616 1
1 184 . 3 1 1 A 23 23 SER CB C 23 64.261 62.992 1.269 1
1 186 . 3 1 1 A 23 23 SER C C 23 174.312 175.074 -0.762 1
1 188 . 3 1 1 A 24 24 ARG N N 24 116.908 119.875 -2.967 1
1 189 . 3 1 1 A 24 24 ARG H H 24 7.615 8.182 -0.567 1
1 190 . 3 1 1 A 24 24 ARG CA C 24 54.212 54.782 -0.570 1
1 191 . 3 1 1 A 24 24 ARG HA H 24 4.694 5.019 -0.325 1
1 192 . 3 1 1 A 24 24 ARG CB C 24 33.940 32.902 1.038 1
1 198 . 3 1 1 A 24 24 ARG C C 24 176.291 176.606 -0.315 1
1 202 . 3 1 1 A 25 25 ASN CA C 25 56.082 56.046 0.036 1
1 203 . 3 1 1 A 25 25 ASN HA H 25 3.539 4.317 -0.778 1
1 204 . 3 1 1 A 25 25 ASN CB C 25 38.067 36.763 1.304 1
1 210 . 3 1 1 A 26 26 SER CA C 26 60.712 61.288 -0.576 1
1 211 . 3 1 1 A 26 26 SER HA H 26 4.006 4.183 -0.177 1
1 212 . 3 1 1 A 26 26 SER CB C 26 61.415 63.018 -1.603 1
1 214 . 3 1 1 A 26 26 SER C C 26 176.943 175.154 1.789 1
1 216 . 3 1 1 A 27 27 GLN N N 27 120.570 119.299 1.271 1
1 217 . 3 1 1 A 27 27 GLN H H 27 6.621 7.641 -1.020 1
1 218 . 3 1 1 A 27 27 GLN CA C 27 57.591 57.377 0.214 1
1 219 . 3 1 1 A 27 27 GLN HA H 27 3.978 4.289 -0.311 1
1 220 . 3 1 1 A 27 27 GLN CB C 27 28.835 29.416 -0.581 1
1 227 . 3 1 1 A 27 27 GLN C C 27 178.709 177.910 0.799 1
1 230 . 3 1 1 A 28 28 LEU N N 28 121.828 122.865 -1.037 1
1 231 . 3 1 1 A 28 28 LEU H H 28 6.936 7.546 -0.610 1
1 232 . 3 1 1 A 28 28 LEU CA C 28 57.924 57.431 0.493 1
1 233 . 3 1 1 A 28 28 LEU HA H 28 3.285 2.635 0.650 1
1 234 . 3 1 1 A 28 28 LEU CB C 28 40.174 41.157 -0.983 1
1 246 . 3 1 1 A 28 28 LEU C C 28 177.664 178.064 -0.400 1
1 248 . 3 1 1 A 29 29 SER N N 29 114.464 114.535 -0.071 1
1 249 . 3 1 1 A 29 29 SER H H 29 8.367 8.070 0.297 1
1 250 . 3 1 1 A 29 29 SER CA C 29 61.619 61.413 0.206 1
1 251 . 3 1 1 A 29 29 SER HA H 29 4.166 3.967 0.199 1
1 252 . 3 1 1 A 29 29 SER CB C 29 62.410 62.762 -0.352 1
1 254 . 3 1 1 A 29 29 SER C C 29 177.169 177.040 0.129 1
1 256 . 3 1 1 A 30 30 GLN N N 30 119.104 121.190 -2.086 1
1 257 . 3 1 1 A 30 30 GLN H H 30 7.378 7.934 -0.556 1
1 258 . 3 1 1 A 30 30 GLN CA C 30 58.502 58.074 0.428 1
1 259 . 3 1 1 A 30 30 GLN HA H 30 3.949 4.091 -0.142 1
1 260 . 3 1 1 A 30 30 GLN CB C 30 28.439 29.099 -0.660 1
1 267 . 3 1 1 A 30 30 GLN C C 30 178.325 177.705 0.620 1
1 270 . 3 1 1 A 31 31 HIS N N 31 119.372 121.472 -2.100 1
1 271 . 3 1 1 A 31 31 HIS H H 31 7.619 8.086 -0.467 1
1 272 . 3 1 1 A 31 31 HIS CA C 31 59.042 58.977 0.065 1
1 273 . 3 1 1 A 31 31 HIS HA H 31 4.149 4.139 0.010 1
1 274 . 3 1 1 A 31 31 HIS CB C 31 28.503 30.032 -1.529 1
1 280 . 3 1 1 A 31 31 HIS C C 31 176.154 177.063 -0.909 1
1 282 . 3 1 1 A 32 32 GLN N N 32 114.990 117.531 -2.541 1
1 283 . 3 1 1 A 32 32 GLN H H 32 8.319 8.275 0.044 1
1 284 . 3 1 1 A 32 32 GLN CA C 32 59.299 59.176 0.123 1
1 285 . 3 1 1 A 32 32 GLN HA H 32 3.653 3.739 -0.086 1
1 286 . 3 1 1 A 32 32 GLN CB C 32 28.260 28.278 -0.018 1
1 293 . 3 1 1 A 32 32 GLN C C 32 177.281 178.534 -1.253 1
1 296 . 3 1 1 A 33 33 LYS N N 33 117.343 117.839 -0.496 1
1 297 . 3 1 1 A 33 33 LYS H H 33 7.039 7.685 -0.646 1
1 298 . 3 1 1 A 33 33 LYS CA C 33 58.503 58.937 -0.434 1
1 299 . 3 1 1 A 33 33 LYS HA H 33 4.067 4.040 0.027 1
1 300 . 3 1 1 A 33 33 LYS CB C 33 32.207 32.254 -0.047 1
1 308 . 3 1 1 A 33 33 LYS C C 33 178.726 177.893 0.833 1
1 313 . 3 1 1 A 34 34 ILE N N 34 116.207 116.363 -0.156 1
1 314 . 3 1 1 A 34 34 ILE H H 34 7.787 7.961 -0.174 1
1 315 . 3 1 1 A 34 34 ILE CA C 34 62.920 64.033 -1.113 1
1 316 . 3 1 1 A 34 34 ILE HA H 34 3.951 3.756 0.195 1
1 317 . 3 1 1 A 34 34 ILE CB C 34 37.707 37.261 0.446 1
1 329 . 3 1 1 A 34 34 ILE C C 34 177.373 177.607 -0.234 1
1 331 . 3 1 1 A 35 35 HIS N N 35 117.836 119.377 -1.541 1
1 332 . 3 1 1 A 35 35 HIS H H 35 7.199 7.781 -0.582 1
1 333 . 3 1 1 A 35 35 HIS CA C 35 55.161 59.576 -4.415 1
1 334 . 3 1 1 A 35 35 HIS HA H 35 4.846 4.260 0.586 1
1 335 . 3 1 1 A 35 35 HIS CB C 35 28.503 30.569 -2.066 1
1 341 . 3 1 1 A 35 35 HIS C C 35 175.779 175.617 0.162 1
1 343 . 3 1 1 A 36 36 THR N N 36 111.873 115.059 -3.186 1
1 344 . 3 1 1 A 36 36 THR H H 36 7.764 7.661 0.103 1
1 345 . 3 1 1 A 36 36 THR CA C 36 62.503 63.528 -1.025 1
1 346 . 3 1 1 A 36 36 THR HA H 36 4.321 3.903 0.418 1
1 347 . 3 1 1 A 36 36 THR CB C 36 69.764 68.949 0.815 1
1 353 . 3 1 1 A 36 36 THR C C 36 175.480 175.295 0.185 1
1 354 . 3 1 1 A 37 37 GLY CA C 37 45.290 45.121 0.169 1
1 355 . 3 1 1 A 37 37 GLY HA2 H 37 3.948 4.213 -0.265 1
1 356 . 3 1 1 A 38 38 GLU N N 38 120.760 122.782 -2.022 1
1 357 . 3 1 1 A 38 38 GLU H H 38 8.217 8.629 -0.412 1
1 358 . 3 1 1 A 38 38 GLU CA C 38 56.439 55.563 0.876 1
1 359 . 3 1 1 A 38 38 GLU HA H 38 4.217 4.595 -0.378 1
1 360 . 3 1 1 A 38 38 GLU CB C 38 30.508 29.910 0.598 1
1 364 . 3 1 1 A 38 38 GLU C C 38 176.214 175.974 0.240 1
1 367 . 3 1 1 A 39 39 LYS N N 39 123.748 121.258 2.490 1
1 368 . 3 1 1 A 39 39 LYS H H 39 8.367 7.332 1.035 1
1 369 . 3 1 1 A 39 39 LYS CA C 39 54.060 55.231 -1.171 1
1 370 . 3 1 1 A 39 39 LYS HA H 39 4.579 4.323 0.256 1
1 371 . 3 1 1 A 39 39 LYS CB C 39 32.498 31.762 0.736 1
1 379 . 3 1 1 A 39 39 LYS C C 39 174.434 174.642 -0.208 1
1 384 . 3 1 1 A 40 40 PRO CA C 40 63.176 62.705 0.471 1
1 385 . 3 1 1 A 40 40 PRO HA H 40 4.425 4.723 -0.298 1
1 386 . 3 1 1 A 40 40 PRO CB C 40 32.185 32.407 -0.222 1
1 395 . 3 1 1 A 41 41 SER N N 41 116.530 114.207 2.323 1
1 396 . 3 1 1 A 41 41 SER H H 41 8.478 8.594 -0.116 1
1 397 . 3 1 1 A 43 43 PRO CA C 43 63.216 62.541 0.675 1
1 398 . 3 1 1 A 43 43 PRO HA H 43 4.443 4.569 -0.126 1
1 399 . 3 1 1 A 43 43 PRO CB C 43 32.152 32.574 -0.422 1
1 408 . 3 1 1 A 45 45 SER CA C 45 58.350 56.936 1.414 1
1 409 . 3 1 1 A 45 45 SER HA H 45 4.462 4.871 -0.409 1
1 410 . 3 1 1 A 45 45 SER CB C 45 63.976 65.084 -1.108 1
1 1 . 4 1 1 A 8 8 THR CA C 8 61.947 64.970 -3.023 1
1 2 . 4 1 1 A 8 8 THR HA H 8 4.342 4.082 0.260 1
1 3 . 4 1 1 A 8 8 THR CB C 8 69.725 68.556 1.169 1
1 9 . 4 1 1 A 9 9 GLY N N 9 110.629 114.880 -4.251 1
1 10 . 4 1 1 A 9 9 GLY H H 9 8.204 8.760 -0.556 1
1 11 . 4 1 1 A 9 9 GLY CA C 9 45.276 45.222 0.054 1
1 12 . 4 1 1 A 9 9 GLY HA3 H 9 3.987 4.176 -0.189 1
1 13 . 4 1 1 A 9 9 GLY HA2 H 9 3.937 4.173 -0.236 1
1 14 . 4 1 1 A 10 10 GLU N N 10 120.559 123.705 -3.146 1
1 15 . 4 1 1 A 10 10 GLU H H 10 8.088 8.362 -0.274 1
1 16 . 4 1 1 A 10 10 GLU CA C 10 56.354 54.944 1.410 1
1 17 . 4 1 1 A 10 10 GLU HA H 10 4.215 4.806 -0.591 1
1 18 . 4 1 1 A 10 10 GLU CB C 10 30.414 31.061 -0.647 1
1 21 . 4 1 1 A 10 10 GLU C C 10 176.435 175.942 0.493 1
1 24 . 4 1 1 A 11 11 LYS N N 11 123.361 128.974 -5.613 1
1 25 . 4 1 1 A 11 11 LYS H H 11 8.424 8.571 -0.147 1
1 26 . 4 1 1 A 11 11 LYS CA C 11 56.048 56.688 -0.640 1
1 27 . 4 1 1 A 11 11 LYS HA H 11 4.197 4.337 -0.140 1
1 28 . 4 1 1 A 11 11 LYS CB C 11 32.695 32.495 0.200 1
1 36 . 4 1 1 A 11 11 LYS C C 11 175.537 175.190 0.347 1
1 41 . 4 1 1 A 12 12 ARG N N 12 120.764 126.730 -5.966 1
1 42 . 4 1 1 A 12 12 ARG H H 12 7.986 8.818 -0.832 1
1 43 . 4 1 1 A 12 12 ARG CA C 12 55.218 54.403 0.815 1
1 44 . 4 1 1 A 12 12 ARG HA H 12 4.316 4.717 -0.401 1
1 45 . 4 1 1 A 12 12 ARG CB C 12 32.110 32.034 0.076 1
1 51 . 4 1 1 A 12 12 ARG C C 12 175.043 174.793 0.250 1
1 55 . 4 1 1 A 13 13 TYR N N 13 121.086 125.125 -4.039 1
1 56 . 4 1 1 A 13 13 TYR H H 13 8.420 8.201 0.219 1
1 57 . 4 1 1 A 13 13 TYR CA C 13 57.592 58.749 -1.157 1
1 58 . 4 1 1 A 13 13 TYR HA H 13 4.559 4.724 -0.165 1
1 59 . 4 1 1 A 13 13 TYR CB C 13 38.873 38.155 0.718 1
1 69 . 4 1 1 A 13 13 TYR C C 13 173.957 175.180 -1.223 1
1 71 . 4 1 1 A 14 14 LYS N N 14 125.789 126.113 -0.324 1
1 72 . 4 1 1 A 14 14 LYS H H 14 8.570 8.876 -0.306 1
1 73 . 4 1 1 A 14 14 LYS CA C 14 54.913 55.007 -0.094 1
1 74 . 4 1 1 A 14 14 LYS HA H 14 4.971 5.261 -0.290 1
1 75 . 4 1 1 A 14 14 LYS CB C 14 35.797 34.511 1.286 1
1 83 . 4 1 1 A 14 14 LYS C C 14 174.933 176.379 -1.446 1
1 88 . 4 1 1 A 15 15 CYS N N 15 127.853 125.326 2.527 1
1 89 . 4 1 1 A 15 15 CYS H H 15 9.319 9.277 0.042 1
1 90 . 4 1 1 A 15 15 CYS CA C 15 59.341 60.190 -0.849 1
1 91 . 4 1 1 A 15 15 CYS HA H 15 4.543 4.566 -0.023 1
1 92 . 4 1 1 A 15 15 CYS CB C 15 29.426 29.026 0.400 1
1 94 . 4 1 1 A 15 15 CYS C C 15 176.804 176.661 0.143 1
1 96 . 4 1 1 A 16 16 ASN N N 16 115.775 127.684 -11.909 1
1 97 . 4 1 1 A 16 16 ASN H H 16 9.413 9.474 -0.061 1
1 98 . 4 1 1 A 16 16 ASN CA C 16 55.575 53.067 2.508 1
1 99 . 4 1 1 A 16 16 ASN HA H 16 4.489 5.081 -0.592 1
1 100 . 4 1 1 A 16 16 ASN CB C 16 38.399 38.352 0.047 1
1 105 . 4 1 1 A 16 16 ASN C C 16 175.467 176.469 -1.002 1
1 107 . 4 1 1 A 17 17 GLU N N 17 120.746 118.445 2.301 1
1 108 . 4 1 1 A 17 17 GLU H H 17 8.638 8.061 0.577 1
1 109 . 4 1 1 A 17 17 GLU CA C 17 58.455 57.404 1.051 1
1 110 . 4 1 1 A 17 17 GLU HA H 17 4.176 4.239 -0.063 1
1 111 . 4 1 1 A 17 17 GLU CB C 17 29.410 30.090 -0.680 1
1 115 . 4 1 1 A 17 17 GLU C C 17 177.060 177.823 -0.763 1
1 118 . 4 1 1 A 18 18 CYS N N 18 129.116 114.768 14.348 1
1 119 . 4 1 1 A 18 18 CYS H H 18 7.901 7.921 -0.020 1
1 120 . 4 1 1 A 18 18 CYS CA C 18 58.282 59.650 -1.368 1
1 121 . 4 1 1 A 18 18 CYS HA H 18 5.150 4.716 0.434 1
1 122 . 4 1 1 A 18 18 CYS CB C 18 32.401 29.917 2.484 1
1 124 . 4 1 1 A 18 18 CYS C C 18 176.219 175.580 0.639 1
1 126 . 4 1 1 A 19 19 GLY N N 19 113.520 109.746 3.774 1
1 127 . 4 1 1 A 19 19 GLY H H 19 8.182 7.668 0.514 1
1 128 . 4 1 1 A 19 19 GLY CA C 19 46.219 45.001 1.218 1
1 129 . 4 1 1 A 19 19 GLY HA3 H 19 3.689 4.089 -0.400 1
1 130 . 4 1 1 A 19 19 GLY C C 19 173.588 174.462 -0.874 1
1 131 . 4 1 1 A 19 19 GLY HA2 H 19 4.213 4.078 0.135 1
1 132 . 4 1 1 A 20 20 LYS N N 20 122.589 120.533 2.056 1
1 133 . 4 1 1 A 20 20 LYS H H 20 7.851 7.431 0.420 1
1 134 . 4 1 1 A 20 20 LYS CA C 20 58.180 56.504 1.676 1
1 135 . 4 1 1 A 20 20 LYS HA H 20 3.939 4.373 -0.434 1
1 136 . 4 1 1 A 20 20 LYS CB C 20 33.798 34.468 -0.670 1
1 144 . 4 1 1 A 20 20 LYS C C 20 174.180 175.402 -1.222 1
1 149 . 4 1 1 A 21 21 VAL N N 21 117.610 117.136 0.474 1
1 150 . 4 1 1 A 21 21 VAL H H 21 7.594 8.310 -0.716 1
1 151 . 4 1 1 A 21 21 VAL CA C 21 60.526 59.352 1.174 1
1 152 . 4 1 1 A 21 21 VAL HA H 21 4.679 5.352 -0.673 1
1 153 . 4 1 1 A 21 21 VAL CB C 21 34.022 36.019 -1.997 1
1 163 . 4 1 1 A 21 21 VAL C C 21 174.872 174.344 0.528 1
1 164 . 4 1 1 A 22 22 PHE N N 22 121.976 120.377 1.599 1
1 165 . 4 1 1 A 22 22 PHE H H 22 8.775 8.746 0.029 1
1 166 . 4 1 1 A 22 22 PHE CA C 22 56.821 56.373 0.448 1
1 167 . 4 1 1 A 22 22 PHE HA H 22 4.800 5.009 -0.209 1
1 168 . 4 1 1 A 22 22 PHE CB C 22 43.204 43.786 -0.582 1
1 180 . 4 1 1 A 22 22 PHE C C 22 175.430 175.515 -0.085 1
1 182 . 4 1 1 A 23 23 SER CA C 23 60.085 59.594 0.491 1
1 183 . 4 1 1 A 23 23 SER HA H 23 4.775 4.365 0.410 1
1 184 . 4 1 1 A 23 23 SER CB C 23 64.261 63.506 0.755 1
1 186 . 4 1 1 A 23 23 SER C C 23 174.312 174.122 0.190 1
1 188 . 4 1 1 A 24 24 ARG N N 24 116.908 120.736 -3.828 1
1 189 . 4 1 1 A 24 24 ARG H H 24 7.615 8.020 -0.405 1
1 190 . 4 1 1 A 24 24 ARG CA C 24 54.212 54.767 -0.555 1
1 191 . 4 1 1 A 24 24 ARG HA H 24 4.694 4.992 -0.298 1
1 192 . 4 1 1 A 24 24 ARG CB C 24 33.940 32.705 1.235 1
1 198 . 4 1 1 A 24 24 ARG C C 24 176.291 176.786 -0.495 1
1 202 . 4 1 1 A 25 25 ASN CA C 25 56.082 55.502 0.580 1
1 203 . 4 1 1 A 25 25 ASN HA H 25 3.539 4.192 -0.653 1
1 204 . 4 1 1 A 25 25 ASN CB C 25 38.067 36.950 1.117 1
1 210 . 4 1 1 A 26 26 SER CA C 26 60.712 60.744 -0.032 1
1 211 . 4 1 1 A 26 26 SER HA H 26 4.006 4.176 -0.170 1
1 212 . 4 1 1 A 26 26 SER CB C 26 61.415 62.963 -1.548 1
1 214 . 4 1 1 A 26 26 SER C C 26 176.943 175.519 1.424 1
1 216 . 4 1 1 A 27 27 GLN N N 27 120.570 119.241 1.329 1
1 217 . 4 1 1 A 27 27 GLN H H 27 6.621 7.787 -1.166 1
1 218 . 4 1 1 A 27 27 GLN CA C 27 57.591 57.095 0.496 1
1 219 . 4 1 1 A 27 27 GLN HA H 27 3.978 4.326 -0.348 1
1 220 . 4 1 1 A 27 27 GLN CB C 27 28.835 29.358 -0.523 1
1 227 . 4 1 1 A 27 27 GLN C C 27 178.709 177.921 0.788 1
1 230 . 4 1 1 A 28 28 LEU N N 28 121.828 122.471 -0.643 1
1 231 . 4 1 1 A 28 28 LEU H H 28 6.936 7.524 -0.588 1
1 232 . 4 1 1 A 28 28 LEU CA C 28 57.924 57.016 0.908 1
1 233 . 4 1 1 A 28 28 LEU HA H 28 3.285 2.683 0.602 1
1 234 . 4 1 1 A 28 28 LEU CB C 28 40.174 41.316 -1.142 1
1 246 . 4 1 1 A 28 28 LEU C C 28 177.664 178.128 -0.464 1
1 248 . 4 1 1 A 29 29 SER N N 29 114.464 115.985 -1.521 1
1 249 . 4 1 1 A 29 29 SER H H 29 8.367 8.145 0.222 1
1 250 . 4 1 1 A 29 29 SER CA C 29 61.619 62.023 -0.404 1
1 251 . 4 1 1 A 29 29 SER HA H 29 4.166 3.967 0.199 1
1 252 . 4 1 1 A 29 29 SER CB C 29 62.410 62.888 -0.478 1
1 254 . 4 1 1 A 29 29 SER C C 29 177.169 176.650 0.519 1
1 256 . 4 1 1 A 30 30 GLN N N 30 119.104 120.097 -0.993 1
1 257 . 4 1 1 A 30 30 GLN H H 30 7.378 8.189 -0.811 1
1 258 . 4 1 1 A 30 30 GLN CA C 30 58.502 58.143 0.359 1
1 259 . 4 1 1 A 30 30 GLN HA H 30 3.949 4.133 -0.184 1
1 260 . 4 1 1 A 30 30 GLN CB C 30 28.439 29.172 -0.733 1
1 267 . 4 1 1 A 30 30 GLN C C 30 178.325 177.824 0.501 1
1 270 . 4 1 1 A 31 31 HIS N N 31 119.372 121.424 -2.052 1
1 271 . 4 1 1 A 31 31 HIS H H 31 7.619 8.238 -0.619 1
1 272 . 4 1 1 A 31 31 HIS CA C 31 59.042 59.073 -0.031 1
1 273 . 4 1 1 A 31 31 HIS HA H 31 4.149 4.190 -0.041 1
1 274 . 4 1 1 A 31 31 HIS CB C 31 28.503 30.207 -1.704 1
1 280 . 4 1 1 A 31 31 HIS C C 31 176.154 177.217 -1.063 1
1 282 . 4 1 1 A 32 32 GLN N N 32 114.990 118.895 -3.905 1
1 283 . 4 1 1 A 32 32 GLN H H 32 8.319 8.642 -0.323 1
1 284 . 4 1 1 A 32 32 GLN CA C 32 59.299 58.731 0.568 1
1 285 . 4 1 1 A 32 32 GLN HA H 32 3.653 3.952 -0.299 1
1 286 . 4 1 1 A 32 32 GLN CB C 32 28.260 28.322 -0.062 1
1 293 . 4 1 1 A 32 32 GLN C C 32 177.281 177.976 -0.695 1
1 296 . 4 1 1 A 33 33 LYS N N 33 117.343 117.310 0.033 1
1 297 . 4 1 1 A 33 33 LYS H H 33 7.039 7.447 -0.408 1
1 298 . 4 1 1 A 33 33 LYS CA C 33 58.503 58.680 -0.177 1
1 299 . 4 1 1 A 33 33 LYS HA H 33 4.067 4.094 -0.027 1
1 300 . 4 1 1 A 33 33 LYS CB C 33 32.207 31.920 0.287 1
1 308 . 4 1 1 A 33 33 LYS C C 33 178.726 177.960 0.766 1
1 313 . 4 1 1 A 34 34 ILE N N 34 116.207 117.054 -0.847 1
1 314 . 4 1 1 A 34 34 ILE H H 34 7.787 7.879 -0.092 1
1 315 . 4 1 1 A 34 34 ILE CA C 34 62.920 63.293 -0.373 1
1 316 . 4 1 1 A 34 34 ILE HA H 34 3.951 3.832 0.119 1
1 317 . 4 1 1 A 34 34 ILE CB C 34 37.707 37.168 0.539 1
1 329 . 4 1 1 A 34 34 ILE C C 34 177.373 176.683 0.690 1
1 331 . 4 1 1 A 35 35 HIS N N 35 117.836 119.885 -2.049 1
1 332 . 4 1 1 A 35 35 HIS H H 35 7.199 7.760 -0.561 1
1 333 . 4 1 1 A 35 35 HIS CA C 35 55.161 56.097 -0.936 1
1 334 . 4 1 1 A 35 35 HIS HA H 35 4.846 4.645 0.201 1
1 335 . 4 1 1 A 35 35 HIS CB C 35 28.503 29.065 -0.562 1
1 341 . 4 1 1 A 35 35 HIS C C 35 175.779 175.568 0.211 1
1 343 . 4 1 1 A 36 36 THR N N 36 111.873 111.037 0.836 1
1 344 . 4 1 1 A 36 36 THR H H 36 7.764 7.372 0.392 1
1 345 . 4 1 1 A 36 36 THR CA C 36 62.503 62.554 -0.051 1
1 346 . 4 1 1 A 36 36 THR HA H 36 4.321 4.414 -0.093 1
1 347 . 4 1 1 A 36 36 THR CB C 36 69.764 69.186 0.578 1
1 353 . 4 1 1 A 36 36 THR C C 36 175.480 175.358 0.122 1
1 354 . 4 1 1 A 37 37 GLY CA C 37 45.290 45.306 -0.016 1
1 355 . 4 1 1 A 37 37 GLY HA2 H 37 3.948 4.119 -0.171 1
1 356 . 4 1 1 A 38 38 GLU N N 38 120.760 121.920 -1.160 1
1 357 . 4 1 1 A 38 38 GLU H H 38 8.217 7.999 0.218 1
1 358 . 4 1 1 A 38 38 GLU CA C 38 56.439 55.565 0.874 1
1 359 . 4 1 1 A 38 38 GLU HA H 38 4.217 4.339 -0.122 1
1 360 . 4 1 1 A 38 38 GLU CB C 38 30.508 28.495 2.013 1
1 364 . 4 1 1 A 38 38 GLU C C 38 176.214 175.146 1.068 1
1 367 . 4 1 1 A 39 39 LYS N N 39 123.748 116.995 6.753 1
1 368 . 4 1 1 A 39 39 LYS H H 39 8.367 7.580 0.787 1
1 369 . 4 1 1 A 39 39 LYS CA C 39 54.060 53.957 0.103 1
1 370 . 4 1 1 A 39 39 LYS HA H 39 4.579 4.960 -0.381 1
1 371 . 4 1 1 A 39 39 LYS CB C 39 32.498 35.291 -2.793 1
1 379 . 4 1 1 A 39 39 LYS C C 39 174.434 173.521 0.913 1
1 384 . 4 1 1 A 40 40 PRO CA C 40 63.176 62.750 0.426 1
1 385 . 4 1 1 A 40 40 PRO HA H 40 4.425 4.548 -0.123 1
1 386 . 4 1 1 A 40 40 PRO CB C 40 32.185 31.717 0.468 1
1 395 . 4 1 1 A 41 41 SER N N 41 116.530 118.642 -2.112 1
1 396 . 4 1 1 A 41 41 SER H H 41 8.478 8.544 -0.066 1
1 397 . 4 1 1 A 43 43 PRO CA C 43 63.216 62.678 0.538 1
1 398 . 4 1 1 A 43 43 PRO HA H 43 4.443 4.692 -0.249 1
1 399 . 4 1 1 A 43 43 PRO CB C 43 32.152 31.366 0.786 1
1 408 . 4 1 1 A 45 45 SER CA C 45 58.350 59.016 -0.666 1
1 409 . 4 1 1 A 45 45 SER HA H 45 4.462 4.304 0.158 1
1 410 . 4 1 1 A 45 45 SER CB C 45 63.976 63.659 0.317 1
1 1 . 5 1 1 A 8 8 THR CA C 8 61.947 61.915 0.032 1
1 2 . 5 1 1 A 8 8 THR HA H 8 4.342 4.528 -0.186 1
1 3 . 5 1 1 A 8 8 THR CB C 8 69.725 69.041 0.684 1
1 9 . 5 1 1 A 9 9 GLY N N 9 110.629 114.855 -4.226 1
1 10 . 5 1 1 A 9 9 GLY H H 9 8.204 8.384 -0.180 1
1 11 . 5 1 1 A 9 9 GLY CA C 9 45.276 44.719 0.557 1
1 12 . 5 1 1 A 9 9 GLY HA3 H 9 3.987 4.046 -0.059 1
1 13 . 5 1 1 A 9 9 GLY HA2 H 9 3.937 4.045 -0.108 1
1 14 . 5 1 1 A 10 10 GLU N N 10 120.559 121.204 -0.645 1
1 15 . 5 1 1 A 10 10 GLU H H 10 8.088 8.339 -0.251 1
1 16 . 5 1 1 A 10 10 GLU CA C 10 56.354 56.057 0.297 1
1 17 . 5 1 1 A 10 10 GLU HA H 10 4.215 4.614 -0.399 1
1 18 . 5 1 1 A 10 10 GLU CB C 10 30.414 30.696 -0.282 1
1 21 . 5 1 1 A 10 10 GLU C C 10 176.435 175.666 0.769 1
1 24 . 5 1 1 A 11 11 LYS N N 11 123.361 122.618 0.743 1
1 25 . 5 1 1 A 11 11 LYS H H 11 8.424 8.623 -0.199 1
1 26 . 5 1 1 A 11 11 LYS CA C 11 56.048 54.594 1.454 1
1 27 . 5 1 1 A 11 11 LYS HA H 11 4.197 4.693 -0.496 1
1 28 . 5 1 1 A 11 11 LYS CB C 11 32.695 33.559 -0.864 1
1 36 . 5 1 1 A 11 11 LYS C C 11 175.537 174.612 0.925 1
1 41 . 5 1 1 A 12 12 ARG N N 12 120.764 123.519 -2.755 1
1 42 . 5 1 1 A 12 12 ARG H H 12 7.986 8.659 -0.673 1
1 43 . 5 1 1 A 12 12 ARG CA C 12 55.218 54.340 0.878 1
1 44 . 5 1 1 A 12 12 ARG HA H 12 4.316 4.830 -0.514 1
1 45 . 5 1 1 A 12 12 ARG CB C 12 32.110 32.342 -0.232 1
1 51 . 5 1 1 A 12 12 ARG C C 12 175.043 174.070 0.973 1
1 55 . 5 1 1 A 13 13 TYR N N 13 121.086 124.824 -3.738 1
1 56 . 5 1 1 A 13 13 TYR H H 13 8.420 8.447 -0.027 1
1 57 . 5 1 1 A 13 13 TYR CA C 13 57.592 59.221 -1.629 1
1 58 . 5 1 1 A 13 13 TYR HA H 13 4.559 4.726 -0.167 1
1 59 . 5 1 1 A 13 13 TYR CB C 13 38.873 38.491 0.382 1
1 69 . 5 1 1 A 13 13 TYR C C 13 173.957 175.403 -1.446 1
1 71 . 5 1 1 A 14 14 LYS N N 14 125.789 125.631 0.158 1
1 72 . 5 1 1 A 14 14 LYS H H 14 8.570 8.872 -0.302 1
1 73 . 5 1 1 A 14 14 LYS CA C 14 54.913 54.685 0.228 1
1 74 . 5 1 1 A 14 14 LYS HA H 14 4.971 5.310 -0.339 1
1 75 . 5 1 1 A 14 14 LYS CB C 14 35.797 34.812 0.985 1
1 83 . 5 1 1 A 14 14 LYS C C 14 174.933 176.253 -1.320 1
1 88 . 5 1 1 A 15 15 CYS N N 15 127.853 125.657 2.196 1
1 89 . 5 1 1 A 15 15 CYS H H 15 9.319 9.109 0.210 1
1 90 . 5 1 1 A 15 15 CYS CA C 15 59.341 59.272 0.069 1
1 91 . 5 1 1 A 15 15 CYS HA H 15 4.543 4.553 -0.010 1
1 92 . 5 1 1 A 15 15 CYS CB C 15 29.426 27.938 1.488 1
1 94 . 5 1 1 A 15 15 CYS C C 15 176.804 175.608 1.196 1
1 96 . 5 1 1 A 16 16 ASN N N 16 115.775 126.105 -10.330 1
1 97 . 5 1 1 A 16 16 ASN H H 16 9.413 8.968 0.445 1
1 98 . 5 1 1 A 16 16 ASN CA C 16 55.575 55.553 0.022 1
1 99 . 5 1 1 A 16 16 ASN HA H 16 4.489 4.402 0.087 1
1 100 . 5 1 1 A 16 16 ASN CB C 16 38.399 38.553 -0.154 1
1 105 . 5 1 1 A 16 16 ASN C C 16 175.467 176.674 -1.207 1
1 107 . 5 1 1 A 17 17 GLU N N 17 120.746 118.051 2.695 1
1 108 . 5 1 1 A 17 17 GLU H H 17 8.638 7.886 0.752 1
1 109 . 5 1 1 A 17 17 GLU CA C 17 58.455 58.868 -0.413 1
1 110 . 5 1 1 A 17 17 GLU HA H 17 4.176 3.969 0.207 1
1 111 . 5 1 1 A 17 17 GLU CB C 17 29.410 29.738 -0.328 1
1 115 . 5 1 1 A 17 17 GLU C C 17 177.060 178.146 -1.086 1
1 118 . 5 1 1 A 18 18 CYS N N 18 129.116 114.443 14.673 1
1 119 . 5 1 1 A 18 18 CYS H H 18 7.901 7.607 0.294 1
1 120 . 5 1 1 A 18 18 CYS CA C 18 58.282 59.580 -1.298 1
1 121 . 5 1 1 A 18 18 CYS HA H 18 5.150 4.475 0.675 1
1 122 . 5 1 1 A 18 18 CYS CB C 18 32.401 29.392 3.009 1
1 124 . 5 1 1 A 18 18 CYS C C 18 176.219 175.229 0.990 1
1 126 . 5 1 1 A 19 19 GLY N N 19 113.520 110.066 3.454 1
1 127 . 5 1 1 A 19 19 GLY H H 19 8.182 8.336 -0.154 1
1 128 . 5 1 1 A 19 19 GLY CA C 19 46.219 45.166 1.053 1
1 129 . 5 1 1 A 19 19 GLY HA3 H 19 3.689 4.045 -0.356 1
1 130 . 5 1 1 A 19 19 GLY C C 19 173.588 174.661 -1.073 1
1 131 . 5 1 1 A 19 19 GLY HA2 H 19 4.213 4.030 0.183 1
1 132 . 5 1 1 A 20 20 LYS N N 20 122.589 120.246 2.343 1
1 133 . 5 1 1 A 20 20 LYS H H 20 7.851 7.440 0.411 1
1 134 . 5 1 1 A 20 20 LYS CA C 20 58.180 56.132 2.048 1
1 135 . 5 1 1 A 20 20 LYS HA H 20 3.939 4.405 -0.466 1
1 136 . 5 1 1 A 20 20 LYS CB C 20 33.798 34.465 -0.667 1
1 144 . 5 1 1 A 20 20 LYS C C 20 174.180 175.499 -1.319 1
1 149 . 5 1 1 A 21 21 VAL N N 21 117.610 117.736 -0.126 1
1 150 . 5 1 1 A 21 21 VAL H H 21 7.594 8.393 -0.799 1
1 151 . 5 1 1 A 21 21 VAL CA C 21 60.526 59.400 1.126 1
1 152 . 5 1 1 A 21 21 VAL HA H 21 4.679 5.397 -0.718 1
1 153 . 5 1 1 A 21 21 VAL CB C 21 34.022 35.851 -1.829 1
1 163 . 5 1 1 A 21 21 VAL C C 21 174.872 174.242 0.630 1
1 164 . 5 1 1 A 22 22 PHE N N 22 121.976 120.587 1.389 1
1 165 . 5 1 1 A 22 22 PHE H H 22 8.775 8.636 0.139 1
1 166 . 5 1 1 A 22 22 PHE CA C 22 56.821 56.580 0.241 1
1 167 . 5 1 1 A 22 22 PHE HA H 22 4.800 4.999 -0.199 1
1 168 . 5 1 1 A 22 22 PHE CB C 22 43.204 43.496 -0.292 1
1 180 . 5 1 1 A 22 22 PHE C C 22 175.430 175.544 -0.114 1
1 182 . 5 1 1 A 23 23 SER CA C 23 60.085 61.193 -1.108 1
1 183 . 5 1 1 A 23 23 SER HA H 23 4.775 4.468 0.307 1
1 184 . 5 1 1 A 23 23 SER CB C 23 64.261 63.399 0.862 1
1 186 . 5 1 1 A 23 23 SER C C 23 174.312 173.448 0.864 1
1 188 . 5 1 1 A 24 24 ARG N N 24 116.908 118.752 -1.844 1
1 189 . 5 1 1 A 24 24 ARG H H 24 7.615 8.152 -0.537 1
1 190 . 5 1 1 A 24 24 ARG CA C 24 54.212 54.495 -0.283 1
1 191 . 5 1 1 A 24 24 ARG HA H 24 4.694 4.997 -0.303 1
1 192 . 5 1 1 A 24 24 ARG CB C 24 33.940 33.121 0.819 1
1 198 . 5 1 1 A 24 24 ARG C C 24 176.291 176.787 -0.496 1
1 202 . 5 1 1 A 25 25 ASN CA C 25 56.082 55.493 0.589 1
1 203 . 5 1 1 A 25 25 ASN HA H 25 3.539 4.022 -0.483 1
1 204 . 5 1 1 A 25 25 ASN CB C 25 38.067 36.899 1.168 1
1 210 . 5 1 1 A 26 26 SER CA C 26 60.712 61.176 -0.464 1
1 211 . 5 1 1 A 26 26 SER HA H 26 4.006 4.123 -0.117 1
1 212 . 5 1 1 A 26 26 SER CB C 26 61.415 63.042 -1.627 1
1 214 . 5 1 1 A 26 26 SER C C 26 176.943 174.617 2.326 1
1 216 . 5 1 1 A 27 27 GLN N N 27 120.570 118.070 2.500 1
1 217 . 5 1 1 A 27 27 GLN H H 27 6.621 7.507 -0.886 1
1 218 . 5 1 1 A 27 27 GLN CA C 27 57.591 57.021 0.570 1
1 219 . 5 1 1 A 27 27 GLN HA H 27 3.978 4.354 -0.376 1
1 220 . 5 1 1 A 27 27 GLN CB C 27 28.835 29.340 -0.505 1
1 227 . 5 1 1 A 27 27 GLN C C 27 178.709 177.564 1.145 1
1 230 . 5 1 1 A 28 28 LEU N N 28 121.828 122.060 -0.232 1
1 231 . 5 1 1 A 28 28 LEU H H 28 6.936 7.584 -0.648 1
1 232 . 5 1 1 A 28 28 LEU CA C 28 57.924 56.657 1.267 1
1 233 . 5 1 1 A 28 28 LEU HA H 28 3.285 2.850 0.435 1
1 234 . 5 1 1 A 28 28 LEU CB C 28 40.174 41.980 -1.806 1
1 246 . 5 1 1 A 28 28 LEU C C 28 177.664 177.971 -0.307 1
1 248 . 5 1 1 A 29 29 SER N N 29 114.464 114.674 -0.210 1
1 249 . 5 1 1 A 29 29 SER H H 29 8.367 8.256 0.111 1
1 250 . 5 1 1 A 29 29 SER CA C 29 61.619 61.371 0.248 1
1 251 . 5 1 1 A 29 29 SER HA H 29 4.166 3.968 0.198 1
1 252 . 5 1 1 A 29 29 SER CB C 29 62.410 62.890 -0.480 1
1 254 . 5 1 1 A 29 29 SER C C 29 177.169 176.855 0.314 1
1 256 . 5 1 1 A 30 30 GLN N N 30 119.104 118.246 0.858 1
1 257 . 5 1 1 A 30 30 GLN H H 30 7.378 8.588 -1.210 1
1 258 . 5 1 1 A 30 30 GLN CA C 30 58.502 57.480 1.022 1
1 259 . 5 1 1 A 30 30 GLN HA H 30 3.949 4.161 -0.212 1
1 260 . 5 1 1 A 30 30 GLN CB C 30 28.439 27.062 1.377 1
1 267 . 5 1 1 A 30 30 GLN C C 30 178.325 177.865 0.460 1
1 270 . 5 1 1 A 31 31 HIS N N 31 119.372 119.908 -0.536 1
1 271 . 5 1 1 A 31 31 HIS H H 31 7.619 8.236 -0.617 1
1 272 . 5 1 1 A 31 31 HIS CA C 31 59.042 59.025 0.017 1
1 273 . 5 1 1 A 31 31 HIS HA H 31 4.149 4.210 -0.061 1
1 274 . 5 1 1 A 31 31 HIS CB C 31 28.503 30.167 -1.664 1
1 280 . 5 1 1 A 31 31 HIS C C 31 176.154 177.084 -0.930 1
1 282 . 5 1 1 A 32 32 GLN N N 32 114.990 118.013 -3.023 1
1 283 . 5 1 1 A 32 32 GLN H H 32 8.319 8.411 -0.092 1
1 284 . 5 1 1 A 32 32 GLN CA C 32 59.299 59.147 0.152 1
1 285 . 5 1 1 A 32 32 GLN HA H 32 3.653 3.829 -0.176 1
1 286 . 5 1 1 A 32 32 GLN CB C 32 28.260 28.157 0.103 1
1 293 . 5 1 1 A 32 32 GLN C C 32 177.281 178.331 -1.050 1
1 296 . 5 1 1 A 33 33 LYS N N 33 117.343 117.436 -0.093 1
1 297 . 5 1 1 A 33 33 LYS H H 33 7.039 7.742 -0.703 1
1 298 . 5 1 1 A 33 33 LYS CA C 33 58.503 58.830 -0.327 1
1 299 . 5 1 1 A 33 33 LYS HA H 33 4.067 4.061 0.006 1
1 300 . 5 1 1 A 33 33 LYS CB C 33 32.207 31.866 0.341 1
1 308 . 5 1 1 A 33 33 LYS C C 33 178.726 177.717 1.009 1
1 313 . 5 1 1 A 34 34 ILE N N 34 116.207 116.428 -0.221 1
1 314 . 5 1 1 A 34 34 ILE H H 34 7.787 7.749 0.038 1
1 315 . 5 1 1 A 34 34 ILE CA C 34 62.920 64.242 -1.322 1
1 316 . 5 1 1 A 34 34 ILE HA H 34 3.951 3.710 0.241 1
1 317 . 5 1 1 A 34 34 ILE CB C 34 37.707 37.074 0.633 1
1 329 . 5 1 1 A 34 34 ILE C C 34 177.373 177.315 0.058 1
1 331 . 5 1 1 A 35 35 HIS N N 35 117.836 119.972 -2.136 1
1 332 . 5 1 1 A 35 35 HIS H H 35 7.199 7.821 -0.622 1
1 333 . 5 1 1 A 35 35 HIS CA C 35 55.161 58.101 -2.940 1
1 334 . 5 1 1 A 35 35 HIS HA H 35 4.846 4.441 0.405 1
1 335 . 5 1 1 A 35 35 HIS CB C 35 28.503 30.580 -2.077 1
1 341 . 5 1 1 A 35 35 HIS C C 35 175.779 174.879 0.900 1
1 343 . 5 1 1 A 36 36 THR N N 36 111.873 112.754 -0.881 1
1 344 . 5 1 1 A 36 36 THR H H 36 7.764 7.485 0.279 1
1 345 . 5 1 1 A 36 36 THR CA C 36 62.503 59.405 3.098 1
1 346 . 5 1 1 A 36 36 THR HA H 36 4.321 4.643 -0.322 1
1 347 . 5 1 1 A 36 36 THR CB C 36 69.764 71.510 -1.746 1
1 353 . 5 1 1 A 36 36 THR C C 36 175.480 173.845 1.635 1
1 354 . 5 1 1 A 37 37 GLY CA C 37 45.290 45.566 -0.276 1
1 355 . 5 1 1 A 37 37 GLY HA2 H 37 3.948 3.987 -0.039 1
1 356 . 5 1 1 A 38 38 GLU N N 38 120.760 120.711 0.049 1
1 357 . 5 1 1 A 38 38 GLU H H 38 8.217 8.074 0.143 1
1 358 . 5 1 1 A 38 38 GLU CA C 38 56.439 56.634 -0.195 1
1 359 . 5 1 1 A 38 38 GLU HA H 38 4.217 4.298 -0.081 1
1 360 . 5 1 1 A 38 38 GLU CB C 38 30.508 30.118 0.390 1
1 364 . 5 1 1 A 38 38 GLU C C 38 176.214 176.689 -0.475 1
1 367 . 5 1 1 A 39 39 LYS N N 39 123.748 121.040 2.708 1
1 368 . 5 1 1 A 39 39 LYS H H 39 8.367 8.590 -0.223 1
1 369 . 5 1 1 A 39 39 LYS CA C 39 54.060 53.208 0.852 1
1 370 . 5 1 1 A 39 39 LYS HA H 39 4.579 4.875 -0.296 1
1 371 . 5 1 1 A 39 39 LYS CB C 39 32.498 35.186 -2.688 1
1 379 . 5 1 1 A 39 39 LYS C C 39 174.434 175.858 -1.424 1
1 384 . 5 1 1 A 40 40 PRO CA C 40 63.176 64.589 -1.413 1
1 385 . 5 1 1 A 40 40 PRO HA H 40 4.425 4.423 0.002 1
1 386 . 5 1 1 A 40 40 PRO CB C 40 32.185 31.924 0.261 1
1 395 . 5 1 1 A 41 41 SER N N 41 116.530 111.156 5.374 1
1 396 . 5 1 1 A 41 41 SER H H 41 8.478 8.125 0.353 1
1 397 . 5 1 1 A 43 43 PRO CA C 43 63.216 62.342 0.874 1
1 398 . 5 1 1 A 43 43 PRO HA H 43 4.443 4.476 -0.033 1
1 399 . 5 1 1 A 43 43 PRO CB C 43 32.152 33.126 -0.974 1
1 408 . 5 1 1 A 45 45 SER CA C 45 58.350 57.833 0.517 1
1 409 . 5 1 1 A 45 45 SER HA H 45 4.462 4.544 -0.082 1
1 410 . 5 1 1 A 45 45 SER CB C 45 63.976 62.916 1.060 1
1 1 . 6 1 1 A 8 8 THR CA C 8 61.947 63.664 -1.717 1
1 2 . 6 1 1 A 8 8 THR HA H 8 4.342 4.407 -0.065 1
1 3 . 6 1 1 A 8 8 THR CB C 8 69.725 71.228 -1.503 1
1 9 . 6 1 1 A 9 9 GLY N N 9 110.629 107.869 2.760 1
1 10 . 6 1 1 A 9 9 GLY H H 9 8.204 7.410 0.794 1
1 11 . 6 1 1 A 9 9 GLY CA C 9 45.276 44.500 0.776 1
1 12 . 6 1 1 A 9 9 GLY HA3 H 9 3.987 4.111 -0.124 1
1 13 . 6 1 1 A 9 9 GLY HA2 H 9 3.937 4.111 -0.174 1
1 14 . 6 1 1 A 10 10 GLU N N 10 120.559 121.012 -0.453 1
1 15 . 6 1 1 A 10 10 GLU H H 10 8.088 8.315 -0.227 1
1 16 . 6 1 1 A 10 10 GLU CA C 10 56.354 54.840 1.514 1
1 17 . 6 1 1 A 10 10 GLU HA H 10 4.215 4.513 -0.298 1
1 18 . 6 1 1 A 10 10 GLU CB C 10 30.414 31.418 -1.004 1
1 21 . 6 1 1 A 10 10 GLU C C 10 176.435 176.995 -0.560 1
1 24 . 6 1 1 A 11 11 LYS N N 11 123.361 123.961 -0.600 1
1 25 . 6 1 1 A 11 11 LYS H H 11 8.424 8.765 -0.341 1
1 26 . 6 1 1 A 11 11 LYS CA C 11 56.048 56.938 -0.890 1
1 27 . 6 1 1 A 11 11 LYS HA H 11 4.197 3.852 0.345 1
1 28 . 6 1 1 A 11 11 LYS CB C 11 32.695 30.032 2.663 1
1 36 . 6 1 1 A 11 11 LYS C C 11 175.537 175.763 -0.226 1
1 41 . 6 1 1 A 12 12 ARG N N 12 120.764 119.645 1.119 1
1 42 . 6 1 1 A 12 12 ARG H H 12 7.986 7.619 0.367 1
1 43 . 6 1 1 A 12 12 ARG CA C 12 55.218 56.148 -0.930 1
1 44 . 6 1 1 A 12 12 ARG HA H 12 4.316 4.187 0.129 1
1 45 . 6 1 1 A 12 12 ARG CB C 12 32.110 30.443 1.667 1
1 51 . 6 1 1 A 12 12 ARG C C 12 175.043 175.463 -0.420 1
1 55 . 6 1 1 A 13 13 TYR N N 13 121.086 124.919 -3.833 1
1 56 . 6 1 1 A 13 13 TYR H H 13 8.420 7.953 0.467 1
1 57 . 6 1 1 A 13 13 TYR CA C 13 57.592 58.685 -1.093 1
1 58 . 6 1 1 A 13 13 TYR HA H 13 4.559 4.756 -0.197 1
1 59 . 6 1 1 A 13 13 TYR CB C 13 38.873 38.328 0.545 1
1 69 . 6 1 1 A 13 13 TYR C C 13 173.957 175.460 -1.503 1
1 71 . 6 1 1 A 14 14 LYS N N 14 125.789 125.504 0.285 1
1 72 . 6 1 1 A 14 14 LYS H H 14 8.570 8.716 -0.146 1
1 73 . 6 1 1 A 14 14 LYS CA C 14 54.913 56.099 -1.186 1
1 74 . 6 1 1 A 14 14 LYS HA H 14 4.971 5.039 -0.068 1
1 75 . 6 1 1 A 14 14 LYS CB C 14 35.797 33.724 2.073 1
1 83 . 6 1 1 A 14 14 LYS C C 14 174.933 176.386 -1.453 1
1 88 . 6 1 1 A 15 15 CYS N N 15 127.853 124.840 3.013 1
1 89 . 6 1 1 A 15 15 CYS H H 15 9.319 9.162 0.157 1
1 90 . 6 1 1 A 15 15 CYS CA C 15 59.341 58.771 0.570 1
1 91 . 6 1 1 A 15 15 CYS HA H 15 4.543 4.694 -0.151 1
1 92 . 6 1 1 A 15 15 CYS CB C 15 29.426 27.760 1.666 1
1 94 . 6 1 1 A 15 15 CYS C C 15 176.804 176.070 0.734 1
1 96 . 6 1 1 A 16 16 ASN N N 16 115.775 126.189 -10.414 1
1 97 . 6 1 1 A 16 16 ASN H H 16 9.413 9.034 0.379 1
1 98 . 6 1 1 A 16 16 ASN CA C 16 55.575 55.403 0.172 1
1 99 . 6 1 1 A 16 16 ASN HA H 16 4.489 4.560 -0.071 1
1 100 . 6 1 1 A 16 16 ASN CB C 16 38.399 38.200 0.199 1
1 105 . 6 1 1 A 16 16 ASN C C 16 175.467 177.303 -1.836 1
1 107 . 6 1 1 A 17 17 GLU N N 17 120.746 118.574 2.172 1
1 108 . 6 1 1 A 17 17 GLU H H 17 8.638 7.843 0.795 1
1 109 . 6 1 1 A 17 17 GLU CA C 17 58.455 58.807 -0.352 1
1 110 . 6 1 1 A 17 17 GLU HA H 17 4.176 3.985 0.191 1
1 111 . 6 1 1 A 17 17 GLU CB C 17 29.410 29.928 -0.518 1
1 115 . 6 1 1 A 17 17 GLU C C 17 177.060 177.963 -0.903 1
1 118 . 6 1 1 A 18 18 CYS N N 18 129.116 114.907 14.209 1
1 119 . 6 1 1 A 18 18 CYS H H 18 7.901 7.939 -0.038 1
1 120 . 6 1 1 A 18 18 CYS CA C 18 58.282 59.710 -1.428 1
1 121 . 6 1 1 A 18 18 CYS HA H 18 5.150 4.601 0.549 1
1 122 . 6 1 1 A 18 18 CYS CB C 18 32.401 29.777 2.624 1
1 124 . 6 1 1 A 18 18 CYS C C 18 176.219 175.437 0.782 1
1 126 . 6 1 1 A 19 19 GLY N N 19 113.520 109.738 3.782 1
1 127 . 6 1 1 A 19 19 GLY H H 19 8.182 7.726 0.456 1
1 128 . 6 1 1 A 19 19 GLY CA C 19 46.219 45.017 1.202 1
1 129 . 6 1 1 A 19 19 GLY HA3 H 19 3.689 4.083 -0.394 1
1 130 . 6 1 1 A 19 19 GLY C C 19 173.588 174.523 -0.935 1
1 131 . 6 1 1 A 19 19 GLY HA2 H 19 4.213 4.072 0.141 1
1 132 . 6 1 1 A 20 20 LYS N N 20 122.589 120.551 2.038 1
1 133 . 6 1 1 A 20 20 LYS H H 20 7.851 7.451 0.400 1
1 134 . 6 1 1 A 20 20 LYS CA C 20 58.180 56.597 1.583 1
1 135 . 6 1 1 A 20 20 LYS HA H 20 3.939 4.325 -0.386 1
1 136 . 6 1 1 A 20 20 LYS CB C 20 33.798 34.276 -0.478 1
1 144 . 6 1 1 A 20 20 LYS C C 20 174.180 175.684 -1.504 1
1 149 . 6 1 1 A 21 21 VAL N N 21 117.610 117.683 -0.073 1
1 150 . 6 1 1 A 21 21 VAL H H 21 7.594 8.435 -0.841 1
1 151 . 6 1 1 A 21 21 VAL CA C 21 60.526 59.515 1.011 1
1 152 . 6 1 1 A 21 21 VAL HA H 21 4.679 5.270 -0.591 1
1 153 . 6 1 1 A 21 21 VAL CB C 21 34.022 35.805 -1.783 1
1 163 . 6 1 1 A 21 21 VAL C C 21 174.872 174.699 0.173 1
1 164 . 6 1 1 A 22 22 PHE N N 22 121.976 120.563 1.413 1
1 165 . 6 1 1 A 22 22 PHE H H 22 8.775 8.522 0.253 1
1 166 . 6 1 1 A 22 22 PHE CA C 22 56.821 56.539 0.282 1
1 167 . 6 1 1 A 22 22 PHE HA H 22 4.800 4.978 -0.178 1
1 168 . 6 1 1 A 22 22 PHE CB C 22 43.204 42.298 0.906 1
1 180 . 6 1 1 A 22 22 PHE C C 22 175.430 176.005 -0.575 1
1 182 . 6 1 1 A 23 23 SER CA C 23 60.085 62.451 -2.366 1
1 183 . 6 1 1 A 23 23 SER HA H 23 4.775 4.231 0.544 1
1 184 . 6 1 1 A 23 23 SER CB C 23 64.261 62.983 1.278 1
1 186 . 6 1 1 A 23 23 SER C C 23 174.312 175.194 -0.882 1
1 188 . 6 1 1 A 24 24 ARG N N 24 116.908 118.928 -2.020 1
1 189 . 6 1 1 A 24 24 ARG H H 24 7.615 8.155 -0.540 1
1 190 . 6 1 1 A 24 24 ARG CA C 24 54.212 54.530 -0.318 1
1 191 . 6 1 1 A 24 24 ARG HA H 24 4.694 5.016 -0.322 1
1 192 . 6 1 1 A 24 24 ARG CB C 24 33.940 33.256 0.684 1
1 198 . 6 1 1 A 24 24 ARG C C 24 176.291 176.739 -0.448 1
1 202 . 6 1 1 A 25 25 ASN CA C 25 56.082 55.674 0.408 1
1 203 . 6 1 1 A 25 25 ASN HA H 25 3.539 4.249 -0.710 1
1 204 . 6 1 1 A 25 25 ASN CB C 25 38.067 36.784 1.283 1
1 210 . 6 1 1 A 26 26 SER CA C 26 60.712 60.808 -0.096 1
1 211 . 6 1 1 A 26 26 SER HA H 26 4.006 4.081 -0.075 1
1 212 . 6 1 1 A 26 26 SER CB C 26 61.415 63.019 -1.604 1
1 214 . 6 1 1 A 26 26 SER C C 26 176.943 175.832 1.111 1
1 216 . 6 1 1 A 27 27 GLN N N 27 120.570 119.608 0.962 1
1 217 . 6 1 1 A 27 27 GLN H H 27 6.621 7.633 -1.012 1
1 218 . 6 1 1 A 27 27 GLN CA C 27 57.591 57.362 0.229 1
1 219 . 6 1 1 A 27 27 GLN HA H 27 3.978 4.309 -0.331 1
1 220 . 6 1 1 A 27 27 GLN CB C 27 28.835 29.365 -0.530 1
1 227 . 6 1 1 A 27 27 GLN C C 27 178.709 177.902 0.807 1
1 230 . 6 1 1 A 28 28 LEU N N 28 121.828 122.739 -0.911 1
1 231 . 6 1 1 A 28 28 LEU H H 28 6.936 7.397 -0.461 1
1 232 . 6 1 1 A 28 28 LEU CA C 28 57.924 57.289 0.635 1
1 233 . 6 1 1 A 28 28 LEU HA H 28 3.285 2.675 0.610 1
1 234 . 6 1 1 A 28 28 LEU CB C 28 40.174 41.115 -0.941 1
1 246 . 6 1 1 A 28 28 LEU C C 28 177.664 178.104 -0.440 1
1 248 . 6 1 1 A 29 29 SER N N 29 114.464 114.497 -0.033 1
1 249 . 6 1 1 A 29 29 SER H H 29 8.367 8.284 0.083 1
1 250 . 6 1 1 A 29 29 SER CA C 29 61.619 61.412 0.207 1
1 251 . 6 1 1 A 29 29 SER HA H 29 4.166 3.928 0.238 1
1 252 . 6 1 1 A 29 29 SER CB C 29 62.410 62.781 -0.371 1
1 254 . 6 1 1 A 29 29 SER C C 29 177.169 176.947 0.222 1
1 256 . 6 1 1 A 30 30 GLN N N 30 119.104 120.941 -1.837 1
1 257 . 6 1 1 A 30 30 GLN H H 30 7.378 7.863 -0.485 1
1 258 . 6 1 1 A 30 30 GLN CA C 30 58.502 57.942 0.560 1
1 259 . 6 1 1 A 30 30 GLN HA H 30 3.949 4.102 -0.153 1
1 260 . 6 1 1 A 30 30 GLN CB C 30 28.439 28.724 -0.285 1
1 267 . 6 1 1 A 30 30 GLN C C 30 178.325 177.768 0.557 1
1 270 . 6 1 1 A 31 31 HIS N N 31 119.372 121.502 -2.130 1
1 271 . 6 1 1 A 31 31 HIS H H 31 7.619 8.297 -0.678 1
1 272 . 6 1 1 A 31 31 HIS CA C 31 59.042 59.021 0.021 1
1 273 . 6 1 1 A 31 31 HIS HA H 31 4.149 4.191 -0.042 1
1 274 . 6 1 1 A 31 31 HIS CB C 31 28.503 30.059 -1.556 1
1 280 . 6 1 1 A 31 31 HIS C C 31 176.154 177.099 -0.945 1
1 282 . 6 1 1 A 32 32 GLN N N 32 114.990 117.722 -2.732 1
1 283 . 6 1 1 A 32 32 GLN H H 32 8.319 8.338 -0.019 1
1 284 . 6 1 1 A 32 32 GLN CA C 32 59.299 59.375 -0.076 1
1 285 . 6 1 1 A 32 32 GLN HA H 32 3.653 3.832 -0.179 1
1 286 . 6 1 1 A 32 32 GLN CB C 32 28.260 28.278 -0.018 1
1 293 . 6 1 1 A 32 32 GLN C C 32 177.281 178.383 -1.102 1
1 296 . 6 1 1 A 33 33 LYS N N 33 117.343 117.794 -0.451 1
1 297 . 6 1 1 A 33 33 LYS H H 33 7.039 7.692 -0.653 1
1 298 . 6 1 1 A 33 33 LYS CA C 33 58.503 58.858 -0.355 1
1 299 . 6 1 1 A 33 33 LYS HA H 33 4.067 4.306 -0.239 1
1 300 . 6 1 1 A 33 33 LYS CB C 33 32.207 32.258 -0.051 1
1 308 . 6 1 1 A 33 33 LYS C C 33 178.726 177.860 0.866 1
1 313 . 6 1 1 A 34 34 ILE N N 34 116.207 116.370 -0.163 1
1 314 . 6 1 1 A 34 34 ILE H H 34 7.787 8.046 -0.259 1
1 315 . 6 1 1 A 34 34 ILE CA C 34 62.920 63.857 -0.937 1
1 316 . 6 1 1 A 34 34 ILE HA H 34 3.951 3.750 0.201 1
1 317 . 6 1 1 A 34 34 ILE CB C 34 37.707 37.279 0.428 1
1 329 . 6 1 1 A 34 34 ILE C C 34 177.373 177.169 0.204 1
1 331 . 6 1 1 A 35 35 HIS N N 35 117.836 119.804 -1.968 1
1 332 . 6 1 1 A 35 35 HIS H H 35 7.199 7.874 -0.675 1
1 333 . 6 1 1 A 35 35 HIS CA C 35 55.161 58.685 -3.524 1
1 334 . 6 1 1 A 35 35 HIS HA H 35 4.846 4.432 0.414 1
1 335 . 6 1 1 A 35 35 HIS CB C 35 28.503 30.904 -2.401 1
1 341 . 6 1 1 A 35 35 HIS C C 35 175.779 175.965 -0.186 1
1 343 . 6 1 1 A 36 36 THR N N 36 111.873 105.668 6.205 1
1 344 . 6 1 1 A 36 36 THR H H 36 7.764 7.679 0.085 1
1 345 . 6 1 1 A 36 36 THR CA C 36 62.503 61.247 1.256 1
1 346 . 6 1 1 A 36 36 THR HA H 36 4.321 4.452 -0.131 1
1 347 . 6 1 1 A 36 36 THR CB C 36 69.764 68.930 0.834 1
1 353 . 6 1 1 A 36 36 THR C C 36 175.480 174.672 0.808 1
1 354 . 6 1 1 A 37 37 GLY CA C 37 45.290 44.956 0.334 1
1 355 . 6 1 1 A 37 37 GLY HA2 H 37 3.948 3.896 0.052 1
1 356 . 6 1 1 A 38 38 GLU N N 38 120.760 115.843 4.917 1
1 357 . 6 1 1 A 38 38 GLU H H 38 8.217 8.301 -0.084 1
1 358 . 6 1 1 A 38 38 GLU CA C 38 56.439 55.092 1.347 1
1 359 . 6 1 1 A 38 38 GLU HA H 38 4.217 4.938 -0.721 1
1 360 . 6 1 1 A 38 38 GLU CB C 38 30.508 32.577 -2.069 1
1 364 . 6 1 1 A 38 38 GLU C C 38 176.214 174.035 2.179 1
1 367 . 6 1 1 A 39 39 LYS N N 39 123.748 121.448 2.300 1
1 368 . 6 1 1 A 39 39 LYS H H 39 8.367 8.667 -0.300 1
1 369 . 6 1 1 A 39 39 LYS CA C 39 54.060 53.419 0.641 1
1 370 . 6 1 1 A 39 39 LYS HA H 39 4.579 5.030 -0.451 1
1 371 . 6 1 1 A 39 39 LYS CB C 39 32.498 33.096 -0.598 1
1 379 . 6 1 1 A 39 39 LYS C C 39 174.434 175.227 -0.793 1
1 384 . 6 1 1 A 40 40 PRO CA C 40 63.176 65.064 -1.888 1
1 385 . 6 1 1 A 40 40 PRO HA H 40 4.425 4.283 0.142 1
1 386 . 6 1 1 A 40 40 PRO CB C 40 32.185 31.933 0.252 1
1 395 . 6 1 1 A 41 41 SER N N 41 116.530 114.718 1.812 1
1 396 . 6 1 1 A 41 41 SER H H 41 8.478 7.792 0.686 1
1 397 . 6 1 1 A 43 43 PRO CA C 43 63.216 62.483 0.733 1
1 398 . 6 1 1 A 43 43 PRO HA H 43 4.443 4.546 -0.103 1
1 399 . 6 1 1 A 43 43 PRO CB C 43 32.152 32.759 -0.607 1
1 408 . 6 1 1 A 45 45 SER CA C 45 58.350 61.453 -3.103 1
1 409 . 6 1 1 A 45 45 SER HA H 45 4.462 4.115 0.347 1
1 410 . 6 1 1 A 45 45 SER CB C 45 63.976 63.597 0.379 1
1 1 . 7 1 1 A 8 8 THR CA C 8 61.947 60.431 1.516 1
1 2 . 7 1 1 A 8 8 THR HA H 8 4.342 4.695 -0.353 1
1 3 . 7 1 1 A 8 8 THR CB C 8 69.725 69.601 0.124 1
1 9 . 7 1 1 A 9 9 GLY N N 9 110.629 112.283 -1.654 1
1 10 . 7 1 1 A 9 9 GLY H H 9 8.204 8.834 -0.630 1
1 11 . 7 1 1 A 9 9 GLY CA C 9 45.276 46.048 -0.772 1
1 12 . 7 1 1 A 9 9 GLY HA3 H 9 3.987 4.180 -0.193 1
1 13 . 7 1 1 A 9 9 GLY HA2 H 9 3.937 4.179 -0.242 1
1 14 . 7 1 1 A 10 10 GLU N N 10 120.559 119.264 1.295 1
1 15 . 7 1 1 A 10 10 GLU H H 10 8.088 7.769 0.319 1
1 16 . 7 1 1 A 10 10 GLU CA C 10 56.354 55.168 1.186 1
1 17 . 7 1 1 A 10 10 GLU HA H 10 4.215 4.687 -0.472 1
1 18 . 7 1 1 A 10 10 GLU CB C 10 30.414 30.467 -0.053 1
1 21 . 7 1 1 A 10 10 GLU C C 10 176.435 175.283 1.152 1
1 24 . 7 1 1 A 11 11 LYS N N 11 123.361 124.200 -0.839 1
1 25 . 7 1 1 A 11 11 LYS H H 11 8.424 8.365 0.059 1
1 26 . 7 1 1 A 11 11 LYS CA C 11 56.048 56.272 -0.224 1
1 27 . 7 1 1 A 11 11 LYS HA H 11 4.197 4.371 -0.174 1
1 28 . 7 1 1 A 11 11 LYS CB C 11 32.695 32.435 0.260 1
1 36 . 7 1 1 A 11 11 LYS C C 11 175.537 175.830 -0.293 1
1 41 . 7 1 1 A 12 12 ARG N N 12 120.764 124.317 -3.553 1
1 42 . 7 1 1 A 12 12 ARG H H 12 7.986 8.245 -0.259 1
1 43 . 7 1 1 A 12 12 ARG CA C 12 55.218 55.220 -0.002 1
1 44 . 7 1 1 A 12 12 ARG HA H 12 4.316 4.443 -0.127 1
1 45 . 7 1 1 A 12 12 ARG CB C 12 32.110 30.653 1.457 1
1 51 . 7 1 1 A 12 12 ARG C C 12 175.043 175.138 -0.095 1
1 55 . 7 1 1 A 13 13 TYR N N 13 121.086 125.031 -3.945 1
1 56 . 7 1 1 A 13 13 TYR H H 13 8.420 8.360 0.060 1
1 57 . 7 1 1 A 13 13 TYR CA C 13 57.592 58.306 -0.714 1
1 58 . 7 1 1 A 13 13 TYR HA H 13 4.559 4.762 -0.203 1
1 59 . 7 1 1 A 13 13 TYR CB C 13 38.873 38.087 0.786 1
1 69 . 7 1 1 A 13 13 TYR C C 13 173.957 175.237 -1.280 1
1 71 . 7 1 1 A 14 14 LYS N N 14 125.789 126.169 -0.380 1
1 72 . 7 1 1 A 14 14 LYS H H 14 8.570 8.808 -0.238 1
1 73 . 7 1 1 A 14 14 LYS CA C 14 54.913 55.430 -0.517 1
1 74 . 7 1 1 A 14 14 LYS HA H 14 4.971 5.169 -0.198 1
1 75 . 7 1 1 A 14 14 LYS CB C 14 35.797 33.811 1.986 1
1 83 . 7 1 1 A 14 14 LYS C C 14 174.933 176.579 -1.646 1
1 88 . 7 1 1 A 15 15 CYS N N 15 127.853 125.135 2.718 1
1 89 . 7 1 1 A 15 15 CYS H H 15 9.319 9.239 0.080 1
1 90 . 7 1 1 A 15 15 CYS CA C 15 59.341 59.141 0.200 1
1 91 . 7 1 1 A 15 15 CYS HA H 15 4.543 4.612 -0.069 1
1 92 . 7 1 1 A 15 15 CYS CB C 15 29.426 28.338 1.088 1
1 94 . 7 1 1 A 15 15 CYS C C 15 176.804 176.355 0.449 1
1 96 . 7 1 1 A 16 16 ASN N N 16 115.775 126.626 -10.851 1
1 97 . 7 1 1 A 16 16 ASN H H 16 9.413 8.964 0.449 1
1 98 . 7 1 1 A 16 16 ASN CA C 16 55.575 55.344 0.231 1
1 99 . 7 1 1 A 16 16 ASN HA H 16 4.489 4.600 -0.111 1
1 100 . 7 1 1 A 16 16 ASN CB C 16 38.399 38.193 0.206 1
1 105 . 7 1 1 A 16 16 ASN C C 16 175.467 176.862 -1.395 1
1 107 . 7 1 1 A 17 17 GLU N N 17 120.746 118.296 2.450 1
1 108 . 7 1 1 A 17 17 GLU H H 17 8.638 7.505 1.133 1
1 109 . 7 1 1 A 17 17 GLU CA C 17 58.455 58.758 -0.303 1
1 110 . 7 1 1 A 17 17 GLU HA H 17 4.176 4.058 0.118 1
1 111 . 7 1 1 A 17 17 GLU CB C 17 29.410 29.736 -0.326 1
1 115 . 7 1 1 A 17 17 GLU C C 17 177.060 178.132 -1.072 1
1 118 . 7 1 1 A 18 18 CYS N N 18 129.116 114.424 14.692 1
1 119 . 7 1 1 A 18 18 CYS H H 18 7.901 7.219 0.682 1
1 120 . 7 1 1 A 18 18 CYS CA C 18 58.282 59.752 -1.470 1
1 121 . 7 1 1 A 18 18 CYS HA H 18 5.150 4.435 0.715 1
1 122 . 7 1 1 A 18 18 CYS CB C 18 32.401 29.256 3.145 1
1 124 . 7 1 1 A 18 18 CYS C C 18 176.219 175.119 1.100 1
1 126 . 7 1 1 A 19 19 GLY N N 19 113.520 110.186 3.334 1
1 127 . 7 1 1 A 19 19 GLY H H 19 8.182 7.962 0.220 1
1 128 . 7 1 1 A 19 19 GLY CA C 19 46.219 45.022 1.197 1
1 129 . 7 1 1 A 19 19 GLY HA3 H 19 3.689 4.070 -0.381 1
1 130 . 7 1 1 A 19 19 GLY C C 19 173.588 174.697 -1.109 1
1 131 . 7 1 1 A 19 19 GLY HA2 H 19 4.213 4.056 0.157 1
1 132 . 7 1 1 A 20 20 LYS N N 20 122.589 120.204 2.385 1
1 133 . 7 1 1 A 20 20 LYS H H 20 7.851 7.434 0.417 1
1 134 . 7 1 1 A 20 20 LYS CA C 20 58.180 56.178 2.002 1
1 135 . 7 1 1 A 20 20 LYS HA H 20 3.939 4.387 -0.448 1
1 136 . 7 1 1 A 20 20 LYS CB C 20 33.798 34.221 -0.423 1
1 144 . 7 1 1 A 20 20 LYS C C 20 174.180 175.375 -1.195 1
1 149 . 7 1 1 A 21 21 VAL N N 21 117.610 117.088 0.522 1
1 150 . 7 1 1 A 21 21 VAL H H 21 7.594 8.218 -0.624 1
1 151 . 7 1 1 A 21 21 VAL CA C 21 60.526 59.211 1.315 1
1 152 . 7 1 1 A 21 21 VAL HA H 21 4.679 5.132 -0.453 1
1 153 . 7 1 1 A 21 21 VAL CB C 21 34.022 35.857 -1.835 1
1 163 . 7 1 1 A 21 21 VAL C C 21 174.872 174.484 0.388 1
1 164 . 7 1 1 A 22 22 PHE N N 22 121.976 120.255 1.721 1
1 165 . 7 1 1 A 22 22 PHE H H 22 8.775 8.443 0.332 1
1 166 . 7 1 1 A 22 22 PHE CA C 22 56.821 56.498 0.323 1
1 167 . 7 1 1 A 22 22 PHE HA H 22 4.800 4.937 -0.137 1
1 168 . 7 1 1 A 22 22 PHE CB C 22 43.204 42.392 0.812 1
1 180 . 7 1 1 A 22 22 PHE C C 22 175.430 175.899 -0.469 1
1 182 . 7 1 1 A 23 23 SER CA C 23 60.085 62.293 -2.208 1
1 183 . 7 1 1 A 23 23 SER HA H 23 4.775 4.104 0.671 1
1 184 . 7 1 1 A 23 23 SER CB C 23 64.261 62.988 1.273 1
1 186 . 7 1 1 A 23 23 SER C C 23 174.312 174.888 -0.576 1
1 188 . 7 1 1 A 24 24 ARG N N 24 116.908 118.903 -1.995 1
1 189 . 7 1 1 A 24 24 ARG H H 24 7.615 8.124 -0.509 1
1 190 . 7 1 1 A 24 24 ARG CA C 24 54.212 54.365 -0.153 1
1 191 . 7 1 1 A 24 24 ARG HA H 24 4.694 4.971 -0.277 1
1 192 . 7 1 1 A 24 24 ARG CB C 24 33.940 33.015 0.925 1
1 198 . 7 1 1 A 24 24 ARG C C 24 176.291 176.929 -0.638 1
1 202 . 7 1 1 A 25 25 ASN CA C 25 56.082 55.899 0.183 1
1 203 . 7 1 1 A 25 25 ASN HA H 25 3.539 4.481 -0.942 1
1 204 . 7 1 1 A 25 25 ASN CB C 25 38.067 37.137 0.930 1
1 210 . 7 1 1 A 26 26 SER CA C 26 60.712 60.822 -0.110 1
1 211 . 7 1 1 A 26 26 SER HA H 26 4.006 4.091 -0.085 1
1 212 . 7 1 1 A 26 26 SER CB C 26 61.415 62.957 -1.542 1
1 214 . 7 1 1 A 26 26 SER C C 26 176.943 175.888 1.055 1
1 216 . 7 1 1 A 27 27 GLN N N 27 120.570 119.602 0.968 1
1 217 . 7 1 1 A 27 27 GLN H H 27 6.621 7.652 -1.031 1
1 218 . 7 1 1 A 27 27 GLN CA C 27 57.591 57.380 0.211 1
1 219 . 7 1 1 A 27 27 GLN HA H 27 3.978 4.291 -0.313 1
1 220 . 7 1 1 A 27 27 GLN CB C 27 28.835 29.285 -0.450 1
1 227 . 7 1 1 A 27 27 GLN C C 27 178.709 177.883 0.826 1
1 230 . 7 1 1 A 28 28 LEU N N 28 121.828 122.756 -0.928 1
1 231 . 7 1 1 A 28 28 LEU H H 28 6.936 7.760 -0.824 1
1 232 . 7 1 1 A 28 28 LEU CA C 28 57.924 57.294 0.630 1
1 233 . 7 1 1 A 28 28 LEU HA H 28 3.285 2.794 0.491 1
1 234 . 7 1 1 A 28 28 LEU CB C 28 40.174 41.305 -1.131 1
1 246 . 7 1 1 A 28 28 LEU C C 28 177.664 178.132 -0.468 1
1 248 . 7 1 1 A 29 29 SER N N 29 114.464 114.608 -0.144 1
1 249 . 7 1 1 A 29 29 SER H H 29 8.367 8.285 0.082 1
1 250 . 7 1 1 A 29 29 SER CA C 29 61.619 61.532 0.087 1
1 251 . 7 1 1 A 29 29 SER HA H 29 4.166 3.957 0.209 1
1 252 . 7 1 1 A 29 29 SER CB C 29 62.410 62.773 -0.363 1
1 254 . 7 1 1 A 29 29 SER C C 29 177.169 176.993 0.176 1
1 256 . 7 1 1 A 30 30 GLN N N 30 119.104 120.568 -1.464 1
1 257 . 7 1 1 A 30 30 GLN H H 30 7.378 7.978 -0.600 1
1 258 . 7 1 1 A 30 30 GLN CA C 30 58.502 57.588 0.914 1
1 259 . 7 1 1 A 30 30 GLN HA H 30 3.949 4.125 -0.176 1
1 260 . 7 1 1 A 30 30 GLN CB C 30 28.439 28.408 0.031 1
1 267 . 7 1 1 A 30 30 GLN C C 30 178.325 177.576 0.749 1
1 270 . 7 1 1 A 31 31 HIS N N 31 119.372 121.206 -1.834 1
1 271 . 7 1 1 A 31 31 HIS H H 31 7.619 8.341 -0.722 1
1 272 . 7 1 1 A 31 31 HIS CA C 31 59.042 58.906 0.136 1
1 273 . 7 1 1 A 31 31 HIS HA H 31 4.149 4.176 -0.027 1
1 274 . 7 1 1 A 31 31 HIS CB C 31 28.503 30.139 -1.636 1
1 280 . 7 1 1 A 31 31 HIS C C 31 176.154 177.158 -1.004 1
1 282 . 7 1 1 A 32 32 GLN N N 32 114.990 119.048 -4.058 1
1 283 . 7 1 1 A 32 32 GLN H H 32 8.319 8.363 -0.044 1
1 284 . 7 1 1 A 32 32 GLN CA C 32 59.299 59.277 0.022 1
1 285 . 7 1 1 A 32 32 GLN HA H 32 3.653 3.880 -0.227 1
1 286 . 7 1 1 A 32 32 GLN CB C 32 28.260 28.277 -0.017 1
1 293 . 7 1 1 A 32 32 GLN C C 32 177.281 178.745 -1.464 1
1 296 . 7 1 1 A 33 33 LYS N N 33 117.343 117.588 -0.245 1
1 297 . 7 1 1 A 33 33 LYS H H 33 7.039 7.781 -0.742 1
1 298 . 7 1 1 A 33 33 LYS CA C 33 58.503 58.772 -0.269 1
1 299 . 7 1 1 A 33 33 LYS HA H 33 4.067 4.167 -0.100 1
1 300 . 7 1 1 A 33 33 LYS CB C 33 32.207 31.493 0.714 1
1 308 . 7 1 1 A 33 33 LYS C C 33 178.726 177.672 1.054 1
1 313 . 7 1 1 A 34 34 ILE N N 34 116.207 116.991 -0.784 1
1 314 . 7 1 1 A 34 34 ILE H H 34 7.787 7.328 0.459 1
1 315 . 7 1 1 A 34 34 ILE CA C 34 62.920 64.113 -1.193 1
1 316 . 7 1 1 A 34 34 ILE HA H 34 3.951 3.718 0.233 1
1 317 . 7 1 1 A 34 34 ILE CB C 34 37.707 37.142 0.565 1
1 329 . 7 1 1 A 34 34 ILE C C 34 177.373 177.689 -0.316 1
1 331 . 7 1 1 A 35 35 HIS N N 35 117.836 119.817 -1.981 1
1 332 . 7 1 1 A 35 35 HIS H H 35 7.199 7.857 -0.658 1
1 333 . 7 1 1 A 35 35 HIS CA C 35 55.161 58.735 -3.574 1
1 334 . 7 1 1 A 35 35 HIS HA H 35 4.846 4.442 0.404 1
1 335 . 7 1 1 A 35 35 HIS CB C 35 28.503 31.238 -2.735 1
1 341 . 7 1 1 A 35 35 HIS C C 35 175.779 175.762 0.017 1
1 343 . 7 1 1 A 36 36 THR N N 36 111.873 107.140 4.733 1
1 344 . 7 1 1 A 36 36 THR H H 36 7.764 7.624 0.140 1
1 345 . 7 1 1 A 36 36 THR CA C 36 62.503 61.048 1.455 1
1 346 . 7 1 1 A 36 36 THR HA H 36 4.321 4.426 -0.105 1
1 347 . 7 1 1 A 36 36 THR CB C 36 69.764 69.361 0.403 1
1 353 . 7 1 1 A 36 36 THR C C 36 175.480 173.930 1.550 1
1 354 . 7 1 1 A 37 37 GLY CA C 37 45.290 44.118 1.172 1
1 355 . 7 1 1 A 37 37 GLY HA2 H 37 3.948 4.108 -0.160 1
1 356 . 7 1 1 A 38 38 GLU N N 38 120.760 120.624 0.136 1
1 357 . 7 1 1 A 38 38 GLU H H 38 8.217 8.550 -0.333 1
1 358 . 7 1 1 A 38 38 GLU CA C 38 56.439 54.763 1.676 1
1 359 . 7 1 1 A 38 38 GLU HA H 38 4.217 5.068 -0.851 1
1 360 . 7 1 1 A 38 38 GLU CB C 38 30.508 33.552 -3.044 1
1 364 . 7 1 1 A 38 38 GLU C C 38 176.214 173.572 2.642 1
1 367 . 7 1 1 A 39 39 LYS N N 39 123.748 125.174 -1.426 1
1 368 . 7 1 1 A 39 39 LYS H H 39 8.367 8.814 -0.447 1
1 369 . 7 1 1 A 39 39 LYS CA C 39 54.060 53.029 1.031 1
1 370 . 7 1 1 A 39 39 LYS HA H 39 4.579 4.909 -0.330 1
1 371 . 7 1 1 A 39 39 LYS CB C 39 32.498 35.822 -3.324 1
1 379 . 7 1 1 A 39 39 LYS C C 39 174.434 175.545 -1.111 1
1 384 . 7 1 1 A 40 40 PRO CA C 40 63.176 62.313 0.863 1
1 385 . 7 1 1 A 40 40 PRO HA H 40 4.425 4.570 -0.145 1
1 386 . 7 1 1 A 40 40 PRO CB C 40 32.185 33.307 -1.122 1
1 395 . 7 1 1 A 41 41 SER N N 41 116.530 116.048 0.482 1
1 396 . 7 1 1 A 41 41 SER H H 41 8.478 8.768 -0.290 1
1 397 . 7 1 1 A 43 43 PRO CA C 43 63.216 63.719 -0.503 1
1 398 . 7 1 1 A 43 43 PRO HA H 43 4.443 4.395 0.048 1
1 399 . 7 1 1 A 43 43 PRO CB C 43 32.152 31.658 0.494 1
1 408 . 7 1 1 A 45 45 SER CA C 45 58.350 61.564 -3.214 1
1 409 . 7 1 1 A 45 45 SER HA H 45 4.462 4.075 0.387 1
1 410 . 7 1 1 A 45 45 SER CB C 45 63.976 63.437 0.539 1
1 1 . 8 1 1 A 8 8 THR CA C 8 61.947 62.299 -0.352 1
1 2 . 8 1 1 A 8 8 THR HA H 8 4.342 4.201 0.141 1
1 3 . 8 1 1 A 8 8 THR CB C 8 69.725 69.509 0.216 1
1 9 . 8 1 1 A 9 9 GLY N N 9 110.629 108.915 1.714 1
1 10 . 8 1 1 A 9 9 GLY H H 9 8.204 8.465 -0.261 1
1 11 . 8 1 1 A 9 9 GLY CA C 9 45.276 44.217 1.059 1
1 12 . 8 1 1 A 9 9 GLY HA3 H 9 3.987 4.047 -0.060 1
1 13 . 8 1 1 A 9 9 GLY HA2 H 9 3.937 4.044 -0.107 1
1 14 . 8 1 1 A 10 10 GLU N N 10 120.559 121.423 -0.864 1
1 15 . 8 1 1 A 10 10 GLU H H 10 8.088 8.487 -0.399 1
1 16 . 8 1 1 A 10 10 GLU CA C 10 56.354 55.087 1.267 1
1 17 . 8 1 1 A 10 10 GLU HA H 10 4.215 4.574 -0.359 1
1 18 . 8 1 1 A 10 10 GLU CB C 10 30.414 30.119 0.295 1
1 21 . 8 1 1 A 10 10 GLU C C 10 176.435 175.779 0.656 1
1 24 . 8 1 1 A 11 11 LYS N N 11 123.361 119.658 3.703 1
1 25 . 8 1 1 A 11 11 LYS H H 11 8.424 7.988 0.436 1
1 26 . 8 1 1 A 11 11 LYS CA C 11 56.048 57.104 -1.056 1
1 27 . 8 1 1 A 11 11 LYS HA H 11 4.197 3.915 0.282 1
1 28 . 8 1 1 A 11 11 LYS CB C 11 32.695 30.998 1.697 1
1 36 . 8 1 1 A 11 11 LYS C C 11 175.537 175.519 0.018 1
1 41 . 8 1 1 A 12 12 ARG N N 12 120.764 115.203 5.561 1
1 42 . 8 1 1 A 12 12 ARG H H 12 7.986 7.860 0.126 1
1 43 . 8 1 1 A 12 12 ARG CA C 12 55.218 55.203 0.015 1
1 44 . 8 1 1 A 12 12 ARG HA H 12 4.316 4.341 -0.025 1
1 45 . 8 1 1 A 12 12 ARG CB C 12 32.110 30.851 1.259 1
1 51 . 8 1 1 A 12 12 ARG C C 12 175.043 174.872 0.171 1
1 55 . 8 1 1 A 13 13 TYR N N 13 121.086 124.194 -3.108 1
1 56 . 8 1 1 A 13 13 TYR H H 13 8.420 7.918 0.502 1
1 57 . 8 1 1 A 13 13 TYR CA C 13 57.592 58.296 -0.704 1
1 58 . 8 1 1 A 13 13 TYR HA H 13 4.559 4.784 -0.225 1
1 59 . 8 1 1 A 13 13 TYR CB C 13 38.873 38.060 0.813 1
1 69 . 8 1 1 A 13 13 TYR C C 13 173.957 175.386 -1.429 1
1 71 . 8 1 1 A 14 14 LYS N N 14 125.789 125.828 -0.039 1
1 72 . 8 1 1 A 14 14 LYS H H 14 8.570 8.717 -0.147 1
1 73 . 8 1 1 A 14 14 LYS CA C 14 54.913 55.850 -0.937 1
1 74 . 8 1 1 A 14 14 LYS HA H 14 4.971 5.045 -0.074 1
1 75 . 8 1 1 A 14 14 LYS CB C 14 35.797 33.654 2.143 1
1 83 . 8 1 1 A 14 14 LYS C C 14 174.933 176.321 -1.388 1
1 88 . 8 1 1 A 15 15 CYS N N 15 127.853 125.458 2.395 1
1 89 . 8 1 1 A 15 15 CYS H H 15 9.319 9.269 0.050 1
1 90 . 8 1 1 A 15 15 CYS CA C 15 59.341 59.073 0.268 1
1 91 . 8 1 1 A 15 15 CYS HA H 15 4.543 4.586 -0.043 1
1 92 . 8 1 1 A 15 15 CYS CB C 15 29.426 27.527 1.899 1
1 94 . 8 1 1 A 15 15 CYS C C 15 176.804 175.748 1.056 1
1 96 . 8 1 1 A 16 16 ASN N N 16 115.775 125.588 -9.813 1
1 97 . 8 1 1 A 16 16 ASN H H 16 9.413 8.534 0.879 1
1 98 . 8 1 1 A 16 16 ASN CA C 16 55.575 55.549 0.026 1
1 99 . 8 1 1 A 16 16 ASN HA H 16 4.489 4.409 0.080 1
1 100 . 8 1 1 A 16 16 ASN CB C 16 38.399 37.598 0.801 1
1 105 . 8 1 1 A 16 16 ASN C C 16 175.467 177.374 -1.907 1
1 107 . 8 1 1 A 17 17 GLU N N 17 120.746 119.698 1.048 1
1 108 . 8 1 1 A 17 17 GLU H H 17 8.638 7.910 0.728 1
1 109 . 8 1 1 A 17 17 GLU CA C 17 58.455 58.662 -0.207 1
1 110 . 8 1 1 A 17 17 GLU HA H 17 4.176 3.925 0.251 1
1 111 . 8 1 1 A 17 17 GLU CB C 17 29.410 29.348 0.062 1
1 115 . 8 1 1 A 17 17 GLU C C 17 177.060 178.133 -1.073 1
1 118 . 8 1 1 A 18 18 CYS N N 18 129.116 114.687 14.429 1
1 119 . 8 1 1 A 18 18 CYS H H 18 7.901 7.786 0.115 1
1 120 . 8 1 1 A 18 18 CYS CA C 18 58.282 59.478 -1.196 1
1 121 . 8 1 1 A 18 18 CYS HA H 18 5.150 4.595 0.555 1
1 122 . 8 1 1 A 18 18 CYS CB C 18 32.401 29.779 2.622 1
1 124 . 8 1 1 A 18 18 CYS C C 18 176.219 175.331 0.888 1
1 126 . 8 1 1 A 19 19 GLY N N 19 113.520 109.797 3.723 1
1 127 . 8 1 1 A 19 19 GLY H H 19 8.182 7.954 0.228 1
1 128 . 8 1 1 A 19 19 GLY CA C 19 46.219 45.014 1.205 1
1 129 . 8 1 1 A 19 19 GLY HA3 H 19 3.689 4.077 -0.388 1
1 130 . 8 1 1 A 19 19 GLY C C 19 173.588 174.798 -1.210 1
1 131 . 8 1 1 A 19 19 GLY HA2 H 19 4.213 4.066 0.147 1
1 132 . 8 1 1 A 20 20 LYS N N 20 122.589 120.646 1.943 1
1 133 . 8 1 1 A 20 20 LYS H H 20 7.851 7.523 0.328 1
1 134 . 8 1 1 A 20 20 LYS CA C 20 58.180 56.744 1.436 1
1 135 . 8 1 1 A 20 20 LYS HA H 20 3.939 4.263 -0.324 1
1 136 . 8 1 1 A 20 20 LYS CB C 20 33.798 34.135 -0.337 1
1 144 . 8 1 1 A 20 20 LYS C C 20 174.180 175.302 -1.122 1
1 149 . 8 1 1 A 21 21 VAL N N 21 117.610 116.961 0.649 1
1 150 . 8 1 1 A 21 21 VAL H H 21 7.594 8.154 -0.560 1
1 151 . 8 1 1 A 21 21 VAL CA C 21 60.526 59.597 0.929 1
1 152 . 8 1 1 A 21 21 VAL HA H 21 4.679 5.310 -0.631 1
1 153 . 8 1 1 A 21 21 VAL CB C 21 34.022 35.951 -1.929 1
1 163 . 8 1 1 A 21 21 VAL C C 21 174.872 174.342 0.530 1
1 164 . 8 1 1 A 22 22 PHE N N 22 121.976 120.421 1.555 1
1 165 . 8 1 1 A 22 22 PHE H H 22 8.775 8.431 0.344 1
1 166 . 8 1 1 A 22 22 PHE CA C 22 56.821 56.983 -0.162 1
1 167 . 8 1 1 A 22 22 PHE HA H 22 4.800 4.899 -0.099 1
1 168 . 8 1 1 A 22 22 PHE CB C 22 43.204 42.862 0.342 1
1 180 . 8 1 1 A 22 22 PHE C C 22 175.430 175.586 -0.156 1
1 182 . 8 1 1 A 23 23 SER CA C 23 60.085 61.373 -1.288 1
1 183 . 8 1 1 A 23 23 SER HA H 23 4.775 4.282 0.493 1
1 184 . 8 1 1 A 23 23 SER CB C 23 64.261 63.101 1.160 1
1 186 . 8 1 1 A 23 23 SER C C 23 174.312 173.697 0.615 1
1 188 . 8 1 1 A 24 24 ARG N N 24 116.908 118.696 -1.788 1
1 189 . 8 1 1 A 24 24 ARG H H 24 7.615 8.120 -0.505 1
1 190 . 8 1 1 A 24 24 ARG CA C 24 54.212 54.445 -0.233 1
1 191 . 8 1 1 A 24 24 ARG HA H 24 4.694 4.959 -0.265 1
1 192 . 8 1 1 A 24 24 ARG CB C 24 33.940 32.897 1.043 1
1 198 . 8 1 1 A 24 24 ARG C C 24 176.291 176.889 -0.598 1
1 202 . 8 1 1 A 25 25 ASN CA C 25 56.082 56.161 -0.079 1
1 203 . 8 1 1 A 25 25 ASN HA H 25 3.539 4.400 -0.861 1
1 204 . 8 1 1 A 25 25 ASN CB C 25 38.067 38.066 0.001 1
1 210 . 8 1 1 A 26 26 SER CA C 26 60.712 60.765 -0.053 1
1 211 . 8 1 1 A 26 26 SER HA H 26 4.006 4.155 -0.149 1
1 212 . 8 1 1 A 26 26 SER CB C 26 61.415 63.003 -1.588 1
1 214 . 8 1 1 A 26 26 SER C C 26 176.943 175.741 1.202 1
1 216 . 8 1 1 A 27 27 GLN N N 27 120.570 119.605 0.965 1
1 217 . 8 1 1 A 27 27 GLN H H 27 6.621 7.719 -1.098 1
1 218 . 8 1 1 A 27 27 GLN CA C 27 57.591 57.092 0.499 1
1 219 . 8 1 1 A 27 27 GLN HA H 27 3.978 4.325 -0.347 1
1 220 . 8 1 1 A 27 27 GLN CB C 27 28.835 29.379 -0.544 1
1 227 . 8 1 1 A 27 27 GLN C C 27 178.709 177.900 0.809 1
1 230 . 8 1 1 A 28 28 LEU N N 28 121.828 122.700 -0.872 1
1 231 . 8 1 1 A 28 28 LEU H H 28 6.936 7.384 -0.448 1
1 232 . 8 1 1 A 28 28 LEU CA C 28 57.924 57.156 0.768 1
1 233 . 8 1 1 A 28 28 LEU HA H 28 3.285 2.580 0.705 1
1 234 . 8 1 1 A 28 28 LEU CB C 28 40.174 41.276 -1.102 1
1 246 . 8 1 1 A 28 28 LEU C C 28 177.664 178.186 -0.522 1
1 248 . 8 1 1 A 29 29 SER N N 29 114.464 114.599 -0.135 1
1 249 . 8 1 1 A 29 29 SER H H 29 8.367 8.389 -0.022 1
1 250 . 8 1 1 A 29 29 SER CA C 29 61.619 61.546 0.073 1
1 251 . 8 1 1 A 29 29 SER HA H 29 4.166 3.949 0.217 1
1 252 . 8 1 1 A 29 29 SER CB C 29 62.410 62.876 -0.466 1
1 254 . 8 1 1 A 29 29 SER C C 29 177.169 177.018 0.151 1
1 256 . 8 1 1 A 30 30 GLN N N 30 119.104 120.925 -1.821 1
1 257 . 8 1 1 A 30 30 GLN H H 30 7.378 8.164 -0.786 1
1 258 . 8 1 1 A 30 30 GLN CA C 30 58.502 58.118 0.384 1
1 259 . 8 1 1 A 30 30 GLN HA H 30 3.949 4.097 -0.148 1
1 260 . 8 1 1 A 30 30 GLN CB C 30 28.439 29.051 -0.612 1
1 267 . 8 1 1 A 30 30 GLN C C 30 178.325 177.808 0.517 1
1 270 . 8 1 1 A 31 31 HIS N N 31 119.372 121.249 -1.877 1
1 271 . 8 1 1 A 31 31 HIS H H 31 7.619 8.342 -0.723 1
1 272 . 8 1 1 A 31 31 HIS CA C 31 59.042 59.035 0.007 1
1 273 . 8 1 1 A 31 31 HIS HA H 31 4.149 4.194 -0.045 1
1 274 . 8 1 1 A 31 31 HIS CB C 31 28.503 30.223 -1.720 1
1 280 . 8 1 1 A 31 31 HIS C C 31 176.154 177.246 -1.092 1
1 282 . 8 1 1 A 32 32 GLN N N 32 114.990 119.096 -4.106 1
1 283 . 8 1 1 A 32 32 GLN H H 32 8.319 8.727 -0.408 1
1 284 . 8 1 1 A 32 32 GLN CA C 32 59.299 58.560 0.739 1
1 285 . 8 1 1 A 32 32 GLN HA H 32 3.653 4.037 -0.384 1
1 286 . 8 1 1 A 32 32 GLN CB C 32 28.260 28.311 -0.051 1
1 293 . 8 1 1 A 32 32 GLN C C 32 177.281 178.367 -1.086 1
1 296 . 8 1 1 A 33 33 LYS N N 33 117.343 117.423 -0.080 1
1 297 . 8 1 1 A 33 33 LYS H H 33 7.039 7.660 -0.621 1
1 298 . 8 1 1 A 33 33 LYS CA C 33 58.503 58.554 -0.051 1
1 299 . 8 1 1 A 33 33 LYS HA H 33 4.067 4.197 -0.130 1
1 300 . 8 1 1 A 33 33 LYS CB C 33 32.207 31.324 0.883 1
1 308 . 8 1 1 A 33 33 LYS C C 33 178.726 177.503 1.223 1
1 313 . 8 1 1 A 34 34 ILE N N 34 116.207 116.889 -0.682 1
1 314 . 8 1 1 A 34 34 ILE H H 34 7.787 7.683 0.104 1
1 315 . 8 1 1 A 34 34 ILE CA C 34 62.920 63.718 -0.798 1
1 316 . 8 1 1 A 34 34 ILE HA H 34 3.951 3.779 0.172 1
1 317 . 8 1 1 A 34 34 ILE CB C 34 37.707 36.805 0.902 1
1 329 . 8 1 1 A 34 34 ILE C C 34 177.373 176.536 0.837 1
1 331 . 8 1 1 A 35 35 HIS N N 35 117.836 119.288 -1.452 1
1 332 . 8 1 1 A 35 35 HIS H H 35 7.199 7.222 -0.023 1
1 333 . 8 1 1 A 35 35 HIS CA C 35 55.161 55.739 -0.578 1
1 334 . 8 1 1 A 35 35 HIS HA H 35 4.846 4.624 0.222 1
1 335 . 8 1 1 A 35 35 HIS CB C 35 28.503 29.716 -1.213 1
1 341 . 8 1 1 A 35 35 HIS C C 35 175.779 174.508 1.271 1
1 343 . 8 1 1 A 36 36 THR N N 36 111.873 109.551 2.322 1
1 344 . 8 1 1 A 36 36 THR H H 36 7.764 7.148 0.616 1
1 345 . 8 1 1 A 36 36 THR CA C 36 62.503 60.821 1.682 1
1 346 . 8 1 1 A 36 36 THR HA H 36 4.321 4.772 -0.451 1
1 347 . 8 1 1 A 36 36 THR CB C 36 69.764 71.120 -1.356 1
1 353 . 8 1 1 A 36 36 THR C C 36 175.480 174.037 1.443 1
1 354 . 8 1 1 A 37 37 GLY CA C 37 45.290 44.583 0.707 1
1 355 . 8 1 1 A 37 37 GLY HA2 H 37 3.948 4.062 -0.114 1
1 356 . 8 1 1 A 38 38 GLU N N 38 120.760 121.875 -1.115 1
1 357 . 8 1 1 A 38 38 GLU H H 38 8.217 8.398 -0.181 1
1 358 . 8 1 1 A 38 38 GLU CA C 38 56.439 55.541 0.898 1
1 359 . 8 1 1 A 38 38 GLU HA H 38 4.217 4.466 -0.249 1
1 360 . 8 1 1 A 38 38 GLU CB C 38 30.508 28.147 2.361 1
1 364 . 8 1 1 A 38 38 GLU C C 38 176.214 176.051 0.163 1
1 367 . 8 1 1 A 39 39 LYS N N 39 123.748 117.974 5.774 1
1 368 . 8 1 1 A 39 39 LYS H H 39 8.367 7.826 0.541 1
1 369 . 8 1 1 A 39 39 LYS CA C 39 54.060 53.413 0.647 1
1 370 . 8 1 1 A 39 39 LYS HA H 39 4.579 4.669 -0.090 1
1 371 . 8 1 1 A 39 39 LYS CB C 39 32.498 32.551 -0.053 1
1 379 . 8 1 1 A 39 39 LYS C C 39 174.434 176.031 -1.597 1
1 384 . 8 1 1 A 40 40 PRO CA C 40 63.176 64.187 -1.011 1
1 385 . 8 1 1 A 40 40 PRO HA H 40 4.425 4.559 -0.134 1
1 386 . 8 1 1 A 40 40 PRO CB C 40 32.185 31.497 0.688 1
1 395 . 8 1 1 A 41 41 SER N N 41 116.530 113.197 3.333 1
1 396 . 8 1 1 A 41 41 SER H H 41 8.478 8.115 0.363 1
1 397 . 8 1 1 A 43 43 PRO CA C 43 63.216 62.264 0.952 1
1 398 . 8 1 1 A 43 43 PRO HA H 43 4.443 4.629 -0.186 1
1 399 . 8 1 1 A 43 43 PRO CB C 43 32.152 29.386 2.766 1
1 408 . 8 1 1 A 45 45 SER CA C 45 58.350 56.708 1.642 1
1 409 . 8 1 1 A 45 45 SER HA H 45 4.462 4.783 -0.321 1
1 410 . 8 1 1 A 45 45 SER CB C 45 63.976 63.608 0.368 1
1 1 . 9 1 1 A 8 8 THR CA C 8 61.947 63.969 -2.022 1
1 2 . 9 1 1 A 8 8 THR HA H 8 4.342 4.281 0.061 1
1 3 . 9 1 1 A 8 8 THR CB C 8 69.725 69.206 0.519 1
1 9 . 9 1 1 A 9 9 GLY N N 9 110.629 112.610 -1.981 1
1 10 . 9 1 1 A 9 9 GLY H H 9 8.204 8.284 -0.080 1
1 11 . 9 1 1 A 9 9 GLY CA C 9 45.276 46.153 -0.877 1
1 12 . 9 1 1 A 9 9 GLY HA3 H 9 3.987 4.156 -0.169 1
1 13 . 9 1 1 A 9 9 GLY HA2 H 9 3.937 4.151 -0.214 1
1 14 . 9 1 1 A 10 10 GLU N N 10 120.559 122.417 -1.858 1
1 15 . 9 1 1 A 10 10 GLU H H 10 8.088 8.313 -0.225 1
1 16 . 9 1 1 A 10 10 GLU CA C 10 56.354 55.451 0.903 1
1 17 . 9 1 1 A 10 10 GLU HA H 10 4.215 4.527 -0.312 1
1 18 . 9 1 1 A 10 10 GLU CB C 10 30.414 30.806 -0.392 1
1 21 . 9 1 1 A 10 10 GLU C C 10 176.435 176.421 0.014 1
1 24 . 9 1 1 A 11 11 LYS N N 11 123.361 126.539 -3.178 1
1 25 . 9 1 1 A 11 11 LYS H H 11 8.424 8.403 0.021 1
1 26 . 9 1 1 A 11 11 LYS CA C 11 56.048 56.852 -0.804 1
1 27 . 9 1 1 A 11 11 LYS HA H 11 4.197 4.057 0.140 1
1 28 . 9 1 1 A 11 11 LYS CB C 11 32.695 32.417 0.278 1
1 36 . 9 1 1 A 11 11 LYS C C 11 175.537 175.928 -0.391 1
1 41 . 9 1 1 A 12 12 ARG N N 12 120.764 122.482 -1.718 1
1 42 . 9 1 1 A 12 12 ARG H H 12 7.986 8.508 -0.522 1
1 43 . 9 1 1 A 12 12 ARG CA C 12 55.218 55.204 0.014 1
1 44 . 9 1 1 A 12 12 ARG HA H 12 4.316 4.669 -0.353 1
1 45 . 9 1 1 A 12 12 ARG CB C 12 32.110 31.142 0.968 1
1 51 . 9 1 1 A 12 12 ARG C C 12 175.043 174.572 0.471 1
1 55 . 9 1 1 A 13 13 TYR N N 13 121.086 125.596 -4.510 1
1 56 . 9 1 1 A 13 13 TYR H H 13 8.420 8.158 0.262 1
1 57 . 9 1 1 A 13 13 TYR CA C 13 57.592 58.696 -1.104 1
1 58 . 9 1 1 A 13 13 TYR HA H 13 4.559 4.682 -0.123 1
1 59 . 9 1 1 A 13 13 TYR CB C 13 38.873 37.875 0.998 1
1 69 . 9 1 1 A 13 13 TYR C C 13 173.957 175.332 -1.375 1
1 71 . 9 1 1 A 14 14 LYS N N 14 125.789 126.249 -0.460 1
1 72 . 9 1 1 A 14 14 LYS H H 14 8.570 8.468 0.102 1
1 73 . 9 1 1 A 14 14 LYS CA C 14 54.913 55.899 -0.986 1
1 74 . 9 1 1 A 14 14 LYS HA H 14 4.971 5.051 -0.080 1
1 75 . 9 1 1 A 14 14 LYS CB C 14 35.797 33.698 2.099 1
1 83 . 9 1 1 A 14 14 LYS C C 14 174.933 176.219 -1.286 1
1 88 . 9 1 1 A 15 15 CYS N N 15 127.853 125.185 2.668 1
1 89 . 9 1 1 A 15 15 CYS H H 15 9.319 9.201 0.118 1
1 90 . 9 1 1 A 15 15 CYS CA C 15 59.341 58.695 0.646 1
1 91 . 9 1 1 A 15 15 CYS HA H 15 4.543 4.593 -0.050 1
1 92 . 9 1 1 A 15 15 CYS CB C 15 29.426 27.547 1.879 1
1 94 . 9 1 1 A 15 15 CYS C C 15 176.804 175.752 1.052 1
1 96 . 9 1 1 A 16 16 ASN N N 16 115.775 125.282 -9.507 1
1 97 . 9 1 1 A 16 16 ASN H H 16 9.413 8.510 0.903 1
1 98 . 9 1 1 A 16 16 ASN CA C 16 55.575 55.562 0.013 1
1 99 . 9 1 1 A 16 16 ASN HA H 16 4.489 4.412 0.077 1
1 100 . 9 1 1 A 16 16 ASN CB C 16 38.399 37.654 0.745 1
1 105 . 9 1 1 A 16 16 ASN C C 16 175.467 177.405 -1.938 1
1 107 . 9 1 1 A 17 17 GLU N N 17 120.746 119.531 1.215 1
1 108 . 9 1 1 A 17 17 GLU H H 17 8.638 7.949 0.689 1
1 109 . 9 1 1 A 17 17 GLU CA C 17 58.455 58.667 -0.212 1
1 110 . 9 1 1 A 17 17 GLU HA H 17 4.176 3.940 0.236 1
1 111 . 9 1 1 A 17 17 GLU CB C 17 29.410 29.612 -0.202 1
1 115 . 9 1 1 A 17 17 GLU C C 17 177.060 178.040 -0.980 1
1 118 . 9 1 1 A 18 18 CYS N N 18 129.116 114.728 14.388 1
1 119 . 9 1 1 A 18 18 CYS H H 18 7.901 7.786 0.115 1
1 120 . 9 1 1 A 18 18 CYS CA C 18 58.282 59.465 -1.183 1
1 121 . 9 1 1 A 18 18 CYS HA H 18 5.150 4.535 0.615 1
1 122 . 9 1 1 A 18 18 CYS CB C 18 32.401 29.699 2.702 1
1 124 . 9 1 1 A 18 18 CYS C C 18 176.219 175.380 0.839 1
1 126 . 9 1 1 A 19 19 GLY N N 19 113.520 110.113 3.407 1
1 127 . 9 1 1 A 19 19 GLY H H 19 8.182 8.233 -0.051 1
1 128 . 9 1 1 A 19 19 GLY CA C 19 46.219 45.018 1.201 1
1 129 . 9 1 1 A 19 19 GLY HA3 H 19 3.689 4.091 -0.402 1
1 130 . 9 1 1 A 19 19 GLY C C 19 173.588 174.647 -1.059 1
1 131 . 9 1 1 A 19 19 GLY HA2 H 19 4.213 4.078 0.135 1
1 132 . 9 1 1 A 20 20 LYS N N 20 122.589 120.438 2.151 1
1 133 . 9 1 1 A 20 20 LYS H H 20 7.851 7.468 0.383 1
1 134 . 9 1 1 A 20 20 LYS CA C 20 58.180 56.438 1.742 1
1 135 . 9 1 1 A 20 20 LYS HA H 20 3.939 4.314 -0.375 1
1 136 . 9 1 1 A 20 20 LYS CB C 20 33.798 34.285 -0.487 1
1 144 . 9 1 1 A 20 20 LYS C C 20 174.180 175.332 -1.152 1
1 149 . 9 1 1 A 21 21 VAL N N 21 117.610 117.128 0.482 1
1 150 . 9 1 1 A 21 21 VAL H H 21 7.594 8.175 -0.581 1
1 151 . 9 1 1 A 21 21 VAL CA C 21 60.526 59.427 1.099 1
1 152 . 9 1 1 A 21 21 VAL HA H 21 4.679 5.169 -0.490 1
1 153 . 9 1 1 A 21 21 VAL CB C 21 34.022 36.052 -2.030 1
1 163 . 9 1 1 A 21 21 VAL C C 21 174.872 174.224 0.648 1
1 164 . 9 1 1 A 22 22 PHE N N 22 121.976 120.252 1.724 1
1 165 . 9 1 1 A 22 22 PHE H H 22 8.775 8.468 0.307 1
1 166 . 9 1 1 A 22 22 PHE CA C 22 56.821 56.585 0.236 1
1 167 . 9 1 1 A 22 22 PHE HA H 22 4.800 4.987 -0.187 1
1 168 . 9 1 1 A 22 22 PHE CB C 22 43.204 43.801 -0.597 1
1 180 . 9 1 1 A 22 22 PHE C C 22 175.430 175.280 0.150 1
1 182 . 9 1 1 A 23 23 SER CA C 23 60.085 60.357 -0.272 1
1 183 . 9 1 1 A 23 23 SER HA H 23 4.775 4.379 0.396 1
1 184 . 9 1 1 A 23 23 SER CB C 23 64.261 63.633 0.628 1
1 186 . 9 1 1 A 23 23 SER C C 23 174.312 173.314 0.998 1
1 188 . 9 1 1 A 24 24 ARG N N 24 116.908 119.090 -2.182 1
1 189 . 9 1 1 A 24 24 ARG H H 24 7.615 8.068 -0.453 1
1 190 . 9 1 1 A 24 24 ARG CA C 24 54.212 54.812 -0.600 1
1 191 . 9 1 1 A 24 24 ARG HA H 24 4.694 5.026 -0.332 1
1 192 . 9 1 1 A 24 24 ARG CB C 24 33.940 32.910 1.030 1
1 198 . 9 1 1 A 24 24 ARG C C 24 176.291 176.782 -0.491 1
1 202 . 9 1 1 A 25 25 ASN CA C 25 56.082 55.745 0.337 1
1 203 . 9 1 1 A 25 25 ASN HA H 25 3.539 4.203 -0.664 1
1 204 . 9 1 1 A 25 25 ASN CB C 25 38.067 37.009 1.058 1
1 210 . 9 1 1 A 26 26 SER CA C 26 60.712 61.197 -0.485 1
1 211 . 9 1 1 A 26 26 SER HA H 26 4.006 4.129 -0.123 1
1 212 . 9 1 1 A 26 26 SER CB C 26 61.415 63.097 -1.682 1
1 214 . 9 1 1 A 26 26 SER C C 26 176.943 175.060 1.883 1
1 216 . 9 1 1 A 27 27 GLN N N 27 120.570 119.285 1.285 1
1 217 . 9 1 1 A 27 27 GLN H H 27 6.621 7.671 -1.050 1
1 218 . 9 1 1 A 27 27 GLN CA C 27 57.591 57.437 0.154 1
1 219 . 9 1 1 A 27 27 GLN HA H 27 3.978 4.285 -0.307 1
1 220 . 9 1 1 A 27 27 GLN CB C 27 28.835 29.247 -0.412 1
1 227 . 9 1 1 A 27 27 GLN C C 27 178.709 178.011 0.698 1
1 230 . 9 1 1 A 28 28 LEU N N 28 121.828 122.329 -0.501 1
1 231 . 9 1 1 A 28 28 LEU H H 28 6.936 7.517 -0.581 1
1 232 . 9 1 1 A 28 28 LEU CA C 28 57.924 56.975 0.949 1
1 233 . 9 1 1 A 28 28 LEU HA H 28 3.285 2.652 0.633 1
1 234 . 9 1 1 A 28 28 LEU CB C 28 40.174 41.430 -1.256 1
1 246 . 9 1 1 A 28 28 LEU C C 28 177.664 178.103 -0.439 1
1 248 . 9 1 1 A 29 29 SER N N 29 114.464 114.622 -0.158 1
1 249 . 9 1 1 A 29 29 SER H H 29 8.367 8.181 0.186 1
1 250 . 9 1 1 A 29 29 SER CA C 29 61.619 61.532 0.087 1
1 251 . 9 1 1 A 29 29 SER HA H 29 4.166 4.008 0.158 1
1 252 . 9 1 1 A 29 29 SER CB C 29 62.410 62.810 -0.400 1
1 254 . 9 1 1 A 29 29 SER C C 29 177.169 176.997 0.172 1
1 256 . 9 1 1 A 30 30 GLN N N 30 119.104 120.808 -1.704 1
1 257 . 9 1 1 A 30 30 GLN H H 30 7.378 8.184 -0.806 1
1 258 . 9 1 1 A 30 30 GLN CA C 30 58.502 58.091 0.411 1
1 259 . 9 1 1 A 30 30 GLN HA H 30 3.949 4.100 -0.151 1
1 260 . 9 1 1 A 30 30 GLN CB C 30 28.439 29.100 -0.661 1
1 267 . 9 1 1 A 30 30 GLN C C 30 178.325 177.723 0.602 1
1 270 . 9 1 1 A 31 31 HIS N N 31 119.372 121.358 -1.986 1
1 271 . 9 1 1 A 31 31 HIS H H 31 7.619 8.297 -0.678 1
1 272 . 9 1 1 A 31 31 HIS CA C 31 59.042 59.038 0.004 1
1 273 . 9 1 1 A 31 31 HIS HA H 31 4.149 4.221 -0.072 1
1 274 . 9 1 1 A 31 31 HIS CB C 31 28.503 30.190 -1.687 1
1 280 . 9 1 1 A 31 31 HIS C C 31 176.154 176.994 -0.840 1
1 282 . 9 1 1 A 32 32 GLN N N 32 114.990 118.304 -3.314 1
1 283 . 9 1 1 A 32 32 GLN H H 32 8.319 8.551 -0.232 1
1 284 . 9 1 1 A 32 32 GLN CA C 32 59.299 59.050 0.249 1
1 285 . 9 1 1 A 32 32 GLN HA H 32 3.653 3.871 -0.218 1
1 286 . 9 1 1 A 32 32 GLN CB C 32 28.260 28.244 0.016 1
1 293 . 9 1 1 A 32 32 GLN C C 32 177.281 178.537 -1.256 1
1 296 . 9 1 1 A 33 33 LYS N N 33 117.343 117.616 -0.273 1
1 297 . 9 1 1 A 33 33 LYS H H 33 7.039 7.876 -0.837 1
1 298 . 9 1 1 A 33 33 LYS CA C 33 58.503 58.749 -0.246 1
1 299 . 9 1 1 A 33 33 LYS HA H 33 4.067 4.323 -0.256 1
1 300 . 9 1 1 A 33 33 LYS CB C 33 32.207 31.800 0.407 1
1 308 . 9 1 1 A 33 33 LYS C C 33 178.726 177.628 1.098 1
1 313 . 9 1 1 A 34 34 ILE N N 34 116.207 116.504 -0.297 1
1 314 . 9 1 1 A 34 34 ILE H H 34 7.787 7.634 0.153 1
1 315 . 9 1 1 A 34 34 ILE CA C 34 62.920 64.240 -1.320 1
1 316 . 9 1 1 A 34 34 ILE HA H 34 3.951 3.715 0.236 1
1 317 . 9 1 1 A 34 34 ILE CB C 34 37.707 37.035 0.672 1
1 329 . 9 1 1 A 34 34 ILE C C 34 177.373 177.337 0.036 1
1 331 . 9 1 1 A 35 35 HIS N N 35 117.836 119.408 -1.572 1
1 332 . 9 1 1 A 35 35 HIS H H 35 7.199 7.825 -0.626 1
1 333 . 9 1 1 A 35 35 HIS CA C 35 55.161 58.334 -3.173 1
1 334 . 9 1 1 A 35 35 HIS HA H 35 4.846 4.419 0.427 1
1 335 . 9 1 1 A 35 35 HIS CB C 35 28.503 31.119 -2.616 1
1 341 . 9 1 1 A 35 35 HIS C C 35 175.779 175.409 0.370 1
1 343 . 9 1 1 A 36 36 THR N N 36 111.873 110.134 1.739 1
1 344 . 9 1 1 A 36 36 THR H H 36 7.764 7.220 0.544 1
1 345 . 9 1 1 A 36 36 THR CA C 36 62.503 60.931 1.572 1
1 346 . 9 1 1 A 36 36 THR HA H 36 4.321 4.435 -0.114 1
1 347 . 9 1 1 A 36 36 THR CB C 36 69.764 69.488 0.276 1
1 353 . 9 1 1 A 36 36 THR C C 36 175.480 173.555 1.925 1
1 354 . 9 1 1 A 37 37 GLY CA C 37 45.290 45.516 -0.226 1
1 355 . 9 1 1 A 37 37 GLY HA2 H 37 3.948 4.012 -0.064 1
1 356 . 9 1 1 A 38 38 GLU N N 38 120.760 126.074 -5.314 1
1 357 . 9 1 1 A 38 38 GLU H H 38 8.217 8.961 -0.744 1
1 358 . 9 1 1 A 38 38 GLU CA C 38 56.439 55.265 1.174 1
1 359 . 9 1 1 A 38 38 GLU HA H 38 4.217 4.817 -0.600 1
1 360 . 9 1 1 A 38 38 GLU CB C 38 30.508 29.844 0.664 1
1 364 . 9 1 1 A 38 38 GLU C C 38 176.214 174.507 1.707 1
1 367 . 9 1 1 A 39 39 LYS N N 39 123.748 125.010 -1.262 1
1 368 . 9 1 1 A 39 39 LYS H H 39 8.367 8.131 0.236 1
1 369 . 9 1 1 A 39 39 LYS CA C 39 54.060 52.944 1.116 1
1 370 . 9 1 1 A 39 39 LYS HA H 39 4.579 4.758 -0.179 1
1 371 . 9 1 1 A 39 39 LYS CB C 39 32.498 34.381 -1.883 1
1 379 . 9 1 1 A 39 39 LYS C C 39 174.434 173.745 0.689 1
1 384 . 9 1 1 A 40 40 PRO CA C 40 63.176 62.208 0.968 1
1 385 . 9 1 1 A 40 40 PRO HA H 40 4.425 4.577 -0.152 1
1 386 . 9 1 1 A 40 40 PRO CB C 40 32.185 32.610 -0.425 1
1 395 . 9 1 1 A 41 41 SER N N 41 116.530 116.810 -0.280 1
1 396 . 9 1 1 A 41 41 SER H H 41 8.478 8.761 -0.283 1
1 397 . 9 1 1 A 43 43 PRO CA C 43 63.216 64.842 -1.626 1
1 398 . 9 1 1 A 43 43 PRO HA H 43 4.443 4.357 0.086 1
1 399 . 9 1 1 A 43 43 PRO CB C 43 32.152 32.037 0.115 1
1 408 . 9 1 1 A 45 45 SER CA C 45 58.350 59.283 -0.933 1
1 409 . 9 1 1 A 45 45 SER HA H 45 4.462 4.573 -0.111 1
1 410 . 9 1 1 A 45 45 SER CB C 45 63.976 65.263 -1.287 1
1 1 . 10 1 1 A 8 8 THR CA C 8 61.947 60.845 1.102 1
1 2 . 10 1 1 A 8 8 THR HA H 8 4.342 4.773 -0.431 1
1 3 . 10 1 1 A 8 8 THR CB C 8 69.725 71.866 -2.141 1
1 9 . 10 1 1 A 9 9 GLY N N 9 110.629 112.804 -2.175 1
1 10 . 10 1 1 A 9 9 GLY H H 9 8.204 8.650 -0.446 1
1 11 . 10 1 1 A 9 9 GLY CA C 9 45.276 44.511 0.765 1
1 12 . 10 1 1 A 9 9 GLY HA3 H 9 3.987 4.062 -0.075 1
1 13 . 10 1 1 A 9 9 GLY HA2 H 9 3.937 4.061 -0.124 1
1 14 . 10 1 1 A 10 10 GLU N N 10 120.559 121.116 -0.557 1
1 15 . 10 1 1 A 10 10 GLU H H 10 8.088 8.457 -0.369 1
1 16 . 10 1 1 A 10 10 GLU CA C 10 56.354 56.625 -0.271 1
1 17 . 10 1 1 A 10 10 GLU HA H 10 4.215 4.217 -0.002 1
1 18 . 10 1 1 A 10 10 GLU CB C 10 30.414 29.809 0.605 1
1 21 . 10 1 1 A 10 10 GLU C C 10 176.435 175.644 0.791 1
1 24 . 10 1 1 A 11 11 LYS N N 11 123.361 124.829 -1.468 1
1 25 . 10 1 1 A 11 11 LYS H H 11 8.424 8.612 -0.188 1
1 26 . 10 1 1 A 11 11 LYS CA C 11 56.048 55.220 0.828 1
1 27 . 10 1 1 A 11 11 LYS HA H 11 4.197 4.360 -0.163 1
1 28 . 10 1 1 A 11 11 LYS CB C 11 32.695 31.815 0.880 1
1 36 . 10 1 1 A 11 11 LYS C C 11 175.537 175.063 0.474 1
1 41 . 10 1 1 A 12 12 ARG N N 12 120.764 123.341 -2.577 1
1 42 . 10 1 1 A 12 12 ARG H H 12 7.986 7.672 0.314 1
1 43 . 10 1 1 A 12 12 ARG CA C 12 55.218 55.674 -0.456 1
1 44 . 10 1 1 A 12 12 ARG HA H 12 4.316 4.627 -0.311 1
1 45 . 10 1 1 A 12 12 ARG CB C 12 32.110 30.064 2.046 1
1 51 . 10 1 1 A 12 12 ARG C C 12 175.043 175.369 -0.326 1
1 55 . 10 1 1 A 13 13 TYR N N 13 121.086 125.456 -4.370 1
1 56 . 10 1 1 A 13 13 TYR H H 13 8.420 8.447 -0.027 1
1 57 . 10 1 1 A 13 13 TYR CA C 13 57.592 59.081 -1.489 1
1 58 . 10 1 1 A 13 13 TYR HA H 13 4.559 4.704 -0.145 1
1 59 . 10 1 1 A 13 13 TYR CB C 13 38.873 38.499 0.374 1
1 69 . 10 1 1 A 13 13 TYR C C 13 173.957 175.582 -1.625 1
1 71 . 10 1 1 A 14 14 LYS N N 14 125.789 125.445 0.344 1
1 72 . 10 1 1 A 14 14 LYS H H 14 8.570 8.695 -0.125 1
1 73 . 10 1 1 A 14 14 LYS CA C 14 54.913 55.865 -0.952 1
1 74 . 10 1 1 A 14 14 LYS HA H 14 4.971 5.040 -0.069 1
1 75 . 10 1 1 A 14 14 LYS CB C 14 35.797 33.558 2.239 1
1 83 . 10 1 1 A 14 14 LYS C C 14 174.933 176.667 -1.734 1
1 88 . 10 1 1 A 15 15 CYS N N 15 127.853 125.280 2.573 1
1 89 . 10 1 1 A 15 15 CYS H H 15 9.319 9.143 0.176 1
1 90 . 10 1 1 A 15 15 CYS CA C 15 59.341 59.804 -0.463 1
1 91 . 10 1 1 A 15 15 CYS HA H 15 4.543 4.603 -0.060 1
1 92 . 10 1 1 A 15 15 CYS CB C 15 29.426 28.926 0.500 1
1 94 . 10 1 1 A 15 15 CYS C C 15 176.804 176.118 0.686 1
1 96 . 10 1 1 A 16 16 ASN N N 16 115.775 126.673 -10.898 1
1 97 . 10 1 1 A 16 16 ASN H H 16 9.413 9.035 0.378 1
1 98 . 10 1 1 A 16 16 ASN CA C 16 55.575 54.967 0.608 1
1 99 . 10 1 1 A 16 16 ASN HA H 16 4.489 4.747 -0.258 1
1 100 . 10 1 1 A 16 16 ASN CB C 16 38.399 38.274 0.125 1
1 105 . 10 1 1 A 16 16 ASN C C 16 175.467 175.583 -0.116 1
1 107 . 10 1 1 A 17 17 GLU N N 17 120.746 117.211 3.535 1
1 108 . 10 1 1 A 17 17 GLU H H 17 8.638 7.955 0.683 1
1 109 . 10 1 1 A 17 17 GLU CA C 17 58.455 57.470 0.985 1
1 110 . 10 1 1 A 17 17 GLU HA H 17 4.176 4.256 -0.080 1
1 111 . 10 1 1 A 17 17 GLU CB C 17 29.410 30.454 -1.044 1
1 115 . 10 1 1 A 17 17 GLU C C 17 177.060 177.891 -0.831 1
1 118 . 10 1 1 A 18 18 CYS N N 18 129.116 114.703 14.413 1
1 119 . 10 1 1 A 18 18 CYS H H 18 7.901 7.997 -0.096 1
1 120 . 10 1 1 A 18 18 CYS CA C 18 58.282 59.599 -1.317 1
1 121 . 10 1 1 A 18 18 CYS HA H 18 5.150 4.540 0.610 1
1 122 . 10 1 1 A 18 18 CYS CB C 18 32.401 29.661 2.740 1
1 124 . 10 1 1 A 18 18 CYS C C 18 176.219 175.306 0.913 1
1 126 . 10 1 1 A 19 19 GLY N N 19 113.520 109.956 3.564 1
1 127 . 10 1 1 A 19 19 GLY H H 19 8.182 8.004 0.178 1
1 128 . 10 1 1 A 19 19 GLY CA C 19 46.219 45.026 1.193 1
1 129 . 10 1 1 A 19 19 GLY HA3 H 19 3.689 4.096 -0.407 1
1 130 . 10 1 1 A 19 19 GLY C C 19 173.588 174.485 -0.897 1
1 131 . 10 1 1 A 19 19 GLY HA2 H 19 4.213 4.083 0.130 1
1 132 . 10 1 1 A 20 20 LYS N N 20 122.589 120.154 2.435 1
1 133 . 10 1 1 A 20 20 LYS H H 20 7.851 7.515 0.336 1
1 134 . 10 1 1 A 20 20 LYS CA C 20 58.180 56.097 2.083 1
1 135 . 10 1 1 A 20 20 LYS HA H 20 3.939 4.490 -0.551 1
1 136 . 10 1 1 A 20 20 LYS CB C 20 33.798 34.448 -0.650 1
1 144 . 10 1 1 A 20 20 LYS C C 20 174.180 175.525 -1.345 1
1 149 . 10 1 1 A 21 21 VAL N N 21 117.610 117.670 -0.060 1
1 150 . 10 1 1 A 21 21 VAL H H 21 7.594 8.352 -0.758 1
1 151 . 10 1 1 A 21 21 VAL CA C 21 60.526 59.258 1.268 1
1 152 . 10 1 1 A 21 21 VAL HA H 21 4.679 5.380 -0.701 1
1 153 . 10 1 1 A 21 21 VAL CB C 21 34.022 35.936 -1.914 1
1 163 . 10 1 1 A 21 21 VAL C C 21 174.872 174.505 0.367 1
1 164 . 10 1 1 A 22 22 PHE N N 22 121.976 120.143 1.833 1
1 165 . 10 1 1 A 22 22 PHE H H 22 8.775 8.863 -0.088 1
1 166 . 10 1 1 A 22 22 PHE CA C 22 56.821 56.562 0.259 1
1 167 . 10 1 1 A 22 22 PHE HA H 22 4.800 4.961 -0.161 1
1 168 . 10 1 1 A 22 22 PHE CB C 22 43.204 42.322 0.882 1
1 180 . 10 1 1 A 22 22 PHE C C 22 175.430 175.868 -0.438 1
1 182 . 10 1 1 A 23 23 SER CA C 23 60.085 61.716 -1.631 1
1 183 . 10 1 1 A 23 23 SER HA H 23 4.775 4.236 0.539 1
1 184 . 10 1 1 A 23 23 SER CB C 23 64.261 63.020 1.241 1
1 186 . 10 1 1 A 23 23 SER C C 23 174.312 173.687 0.625 1
1 188 . 10 1 1 A 24 24 ARG N N 24 116.908 118.017 -1.109 1
1 189 . 10 1 1 A 24 24 ARG H H 24 7.615 8.142 -0.527 1
1 190 . 10 1 1 A 24 24 ARG CA C 24 54.212 54.395 -0.183 1
1 191 . 10 1 1 A 24 24 ARG HA H 24 4.694 5.062 -0.368 1
1 192 . 10 1 1 A 24 24 ARG CB C 24 33.940 33.774 0.166 1
1 198 . 10 1 1 A 24 24 ARG C C 24 176.291 176.348 -0.057 1
1 202 . 10 1 1 A 25 25 ASN CA C 25 56.082 55.952 0.130 1
1 203 . 10 1 1 A 25 25 ASN HA H 25 3.539 3.867 -0.328 1
1 204 . 10 1 1 A 25 25 ASN CB C 25 38.067 37.705 0.362 1
1 210 . 10 1 1 A 26 26 SER CA C 26 60.712 61.566 -0.854 1
1 211 . 10 1 1 A 26 26 SER HA H 26 4.006 4.087 -0.081 1
1 212 . 10 1 1 A 26 26 SER CB C 26 61.415 63.087 -1.672 1
1 214 . 10 1 1 A 26 26 SER C C 26 176.943 175.730 1.213 1
1 216 . 10 1 1 A 27 27 GLN N N 27 120.570 118.874 1.696 1
1 217 . 10 1 1 A 27 27 GLN H H 27 6.621 7.646 -1.025 1
1 218 . 10 1 1 A 27 27 GLN CA C 27 57.591 57.350 0.241 1
1 219 . 10 1 1 A 27 27 GLN HA H 27 3.978 4.279 -0.301 1
1 220 . 10 1 1 A 27 27 GLN CB C 27 28.835 29.266 -0.431 1
1 227 . 10 1 1 A 27 27 GLN C C 27 178.709 177.925 0.784 1
1 230 . 10 1 1 A 28 28 LEU N N 28 121.828 122.779 -0.951 1
1 231 . 10 1 1 A 28 28 LEU H H 28 6.936 7.992 -1.056 1
1 232 . 10 1 1 A 28 28 LEU CA C 28 57.924 57.293 0.631 1
1 233 . 10 1 1 A 28 28 LEU HA H 28 3.285 2.680 0.605 1
1 234 . 10 1 1 A 28 28 LEU CB C 28 40.174 41.088 -0.914 1
1 246 . 10 1 1 A 28 28 LEU C C 28 177.664 178.044 -0.380 1
1 248 . 10 1 1 A 29 29 SER N N 29 114.464 114.458 0.006 1
1 249 . 10 1 1 A 29 29 SER H H 29 8.367 8.282 0.085 1
1 250 . 10 1 1 A 29 29 SER CA C 29 61.619 61.505 0.114 1
1 251 . 10 1 1 A 29 29 SER HA H 29 4.166 4.065 0.101 1
1 252 . 10 1 1 A 29 29 SER CB C 29 62.410 62.796 -0.386 1
1 254 . 10 1 1 A 29 29 SER C C 29 177.169 177.045 0.124 1
1 256 . 10 1 1 A 30 30 GLN N N 30 119.104 120.689 -1.585 1
1 257 . 10 1 1 A 30 30 GLN H H 30 7.378 8.171 -0.793 1
1 258 . 10 1 1 A 30 30 GLN CA C 30 58.502 58.102 0.400 1
1 259 . 10 1 1 A 30 30 GLN HA H 30 3.949 4.080 -0.131 1
1 260 . 10 1 1 A 30 30 GLN CB C 30 28.439 29.107 -0.668 1
1 267 . 10 1 1 A 30 30 GLN C C 30 178.325 177.664 0.661 1
1 270 . 10 1 1 A 31 31 HIS N N 31 119.372 121.258 -1.886 1
1 271 . 10 1 1 A 31 31 HIS H H 31 7.619 8.290 -0.671 1
1 272 . 10 1 1 A 31 31 HIS CA C 31 59.042 59.025 0.017 1
1 273 . 10 1 1 A 31 31 HIS HA H 31 4.149 4.211 -0.062 1
1 274 . 10 1 1 A 31 31 HIS CB C 31 28.503 30.129 -1.626 1
1 280 . 10 1 1 A 31 31 HIS C C 31 176.154 176.983 -0.829 1
1 282 . 10 1 1 A 32 32 GLN N N 32 114.990 118.304 -3.314 1
1 283 . 10 1 1 A 32 32 GLN H H 32 8.319 8.460 -0.141 1
1 284 . 10 1 1 A 32 32 GLN CA C 32 59.299 59.032 0.267 1
1 285 . 10 1 1 A 32 32 GLN HA H 32 3.653 3.776 -0.123 1
1 286 . 10 1 1 A 32 32 GLN CB C 32 28.260 28.443 -0.183 1
1 293 . 10 1 1 A 32 32 GLN C C 32 177.281 178.603 -1.322 1
1 296 . 10 1 1 A 33 33 LYS N N 33 117.343 117.423 -0.080 1
1 297 . 10 1 1 A 33 33 LYS H H 33 7.039 7.917 -0.878 1
1 298 . 10 1 1 A 33 33 LYS CA C 33 58.503 58.647 -0.144 1
1 299 . 10 1 1 A 33 33 LYS HA H 33 4.067 4.211 -0.144 1
1 300 . 10 1 1 A 33 33 LYS CB C 33 32.207 31.711 0.496 1
1 308 . 10 1 1 A 33 33 LYS C C 33 178.726 177.668 1.058 1
1 313 . 10 1 1 A 34 34 ILE N N 34 116.207 116.562 -0.355 1
1 314 . 10 1 1 A 34 34 ILE H H 34 7.787 7.562 0.225 1
1 315 . 10 1 1 A 34 34 ILE CA C 34 62.920 64.138 -1.218 1
1 316 . 10 1 1 A 34 34 ILE HA H 34 3.951 3.706 0.245 1
1 317 . 10 1 1 A 34 34 ILE CB C 34 37.707 37.102 0.605 1
1 329 . 10 1 1 A 34 34 ILE C C 34 177.373 177.575 -0.202 1
1 331 . 10 1 1 A 35 35 HIS N N 35 117.836 119.577 -1.741 1
1 332 . 10 1 1 A 35 35 HIS H H 35 7.199 7.881 -0.682 1
1 333 . 10 1 1 A 35 35 HIS CA C 35 55.161 59.072 -3.911 1
1 334 . 10 1 1 A 35 35 HIS HA H 35 4.846 4.376 0.470 1
1 335 . 10 1 1 A 35 35 HIS CB C 35 28.503 31.072 -2.569 1
1 341 . 10 1 1 A 35 35 HIS C C 35 175.779 175.439 0.340 1
1 343 . 10 1 1 A 36 36 THR N N 36 111.873 111.631 0.242 1
1 344 . 10 1 1 A 36 36 THR H H 36 7.764 7.529 0.235 1
1 345 . 10 1 1 A 36 36 THR CA C 36 62.503 61.531 0.972 1
1 346 . 10 1 1 A 36 36 THR HA H 36 4.321 4.301 0.020 1
1 347 . 10 1 1 A 36 36 THR CB C 36 69.764 68.790 0.974 1
1 353 . 10 1 1 A 36 36 THR C C 36 175.480 174.265 1.215 1
1 354 . 10 1 1 A 37 37 GLY CA C 37 45.290 45.768 -0.478 1
1 355 . 10 1 1 A 37 37 GLY HA2 H 37 3.948 4.006 -0.058 1
1 356 . 10 1 1 A 38 38 GLU N N 38 120.760 122.163 -1.403 1
1 357 . 10 1 1 A 38 38 GLU H H 38 8.217 8.194 0.023 1
1 358 . 10 1 1 A 38 38 GLU CA C 38 56.439 56.675 -0.236 1
1 359 . 10 1 1 A 38 38 GLU HA H 38 4.217 4.311 -0.094 1
1 360 . 10 1 1 A 38 38 GLU CB C 38 30.508 30.121 0.387 1
1 364 . 10 1 1 A 38 38 GLU C C 38 176.214 175.619 0.595 1
1 367 . 10 1 1 A 39 39 LYS N N 39 123.748 126.961 -3.213 1
1 368 . 10 1 1 A 39 39 LYS H H 39 8.367 8.384 -0.017 1
1 369 . 10 1 1 A 39 39 LYS CA C 39 54.060 52.967 1.093 1
1 370 . 10 1 1 A 39 39 LYS HA H 39 4.579 4.823 -0.244 1
1 371 . 10 1 1 A 39 39 LYS CB C 39 32.498 34.034 -1.536 1
1 379 . 10 1 1 A 39 39 LYS C C 39 174.434 176.132 -1.698 1
1 384 . 10 1 1 A 40 40 PRO CA C 40 63.176 63.819 -0.643 1
1 385 . 10 1 1 A 40 40 PRO HA H 40 4.425 4.551 -0.126 1
1 386 . 10 1 1 A 40 40 PRO CB C 40 32.185 31.723 0.462 1
1 395 . 10 1 1 A 41 41 SER N N 41 116.530 115.691 0.839 1
1 396 . 10 1 1 A 41 41 SER H H 41 8.478 7.734 0.744 1
1 397 . 10 1 1 A 43 43 PRO CA C 43 63.216 62.772 0.444 1
1 398 . 10 1 1 A 43 43 PRO HA H 43 4.443 4.645 -0.202 1
1 399 . 10 1 1 A 43 43 PRO CB C 43 32.152 32.266 -0.114 1
1 408 . 10 1 1 A 45 45 SER CA C 45 58.350 61.887 -3.537 1
1 409 . 10 1 1 A 45 45 SER HA H 45 4.462 4.178 0.284 1
1 410 . 10 1 1 A 45 45 SER CB C 45 63.976 62.731 1.245 1
1 1 . 11 1 1 A 8 8 THR CA C 8 61.947 59.419 2.528 1
1 2 . 11 1 1 A 8 8 THR HA H 8 4.342 4.994 -0.652 1
1 3 . 11 1 1 A 8 8 THR CB C 8 69.725 71.742 -2.017 1
1 9 . 11 1 1 A 9 9 GLY N N 9 110.629 108.926 1.703 1
1 10 . 11 1 1 A 9 9 GLY H H 9 8.204 8.226 -0.022 1
1 11 . 11 1 1 A 9 9 GLY CA C 9 45.276 45.664 -0.388 1
1 12 . 11 1 1 A 9 9 GLY HA3 H 9 3.987 4.033 -0.046 1
1 13 . 11 1 1 A 9 9 GLY HA2 H 9 3.937 4.029 -0.092 1
1 14 . 11 1 1 A 10 10 GLU N N 10 120.559 125.182 -4.623 1
1 15 . 11 1 1 A 10 10 GLU H H 10 8.088 8.485 -0.397 1
1 16 . 11 1 1 A 10 10 GLU CA C 10 56.354 54.582 1.772 1
1 17 . 11 1 1 A 10 10 GLU HA H 10 4.215 5.026 -0.811 1
1 18 . 11 1 1 A 10 10 GLU CB C 10 30.414 33.495 -3.081 1
1 21 . 11 1 1 A 10 10 GLU C C 10 176.435 174.181 2.254 1
1 24 . 11 1 1 A 11 11 LYS N N 11 123.361 125.526 -2.165 1
1 25 . 11 1 1 A 11 11 LYS H H 11 8.424 8.778 -0.354 1
1 26 . 11 1 1 A 11 11 LYS CA C 11 56.048 54.912 1.136 1
1 27 . 11 1 1 A 11 11 LYS HA H 11 4.197 4.330 -0.133 1
1 28 . 11 1 1 A 11 11 LYS CB C 11 32.695 31.420 1.275 1
1 36 . 11 1 1 A 11 11 LYS C C 11 175.537 174.811 0.726 1
1 41 . 11 1 1 A 12 12 ARG N N 12 120.764 122.839 -2.075 1
1 42 . 11 1 1 A 12 12 ARG H H 12 7.986 7.638 0.348 1
1 43 . 11 1 1 A 12 12 ARG CA C 12 55.218 55.247 -0.029 1
1 44 . 11 1 1 A 12 12 ARG HA H 12 4.316 4.428 -0.112 1
1 45 . 11 1 1 A 12 12 ARG CB C 12 32.110 31.214 0.896 1
1 51 . 11 1 1 A 12 12 ARG C C 12 175.043 174.901 0.142 1
1 55 . 11 1 1 A 13 13 TYR N N 13 121.086 125.325 -4.239 1
1 56 . 11 1 1 A 13 13 TYR H H 13 8.420 8.798 -0.378 1
1 57 . 11 1 1 A 13 13 TYR CA C 13 57.592 58.853 -1.261 1
1 58 . 11 1 1 A 13 13 TYR HA H 13 4.559 4.781 -0.222 1
1 59 . 11 1 1 A 13 13 TYR CB C 13 38.873 38.522 0.351 1
1 69 . 11 1 1 A 13 13 TYR C C 13 173.957 175.495 -1.538 1
1 71 . 11 1 1 A 14 14 LYS N N 14 125.789 125.338 0.451 1
1 72 . 11 1 1 A 14 14 LYS H H 14 8.570 8.726 -0.156 1
1 73 . 11 1 1 A 14 14 LYS CA C 14 54.913 55.966 -1.053 1
1 74 . 11 1 1 A 14 14 LYS HA H 14 4.971 5.034 -0.063 1
1 75 . 11 1 1 A 14 14 LYS CB C 14 35.797 33.622 2.175 1
1 83 . 11 1 1 A 14 14 LYS C C 14 174.933 176.733 -1.800 1
1 88 . 11 1 1 A 15 15 CYS N N 15 127.853 125.202 2.651 1
1 89 . 11 1 1 A 15 15 CYS H H 15 9.319 9.328 -0.009 1
1 90 . 11 1 1 A 15 15 CYS CA C 15 59.341 59.419 -0.078 1
1 91 . 11 1 1 A 15 15 CYS HA H 15 4.543 4.640 -0.097 1
1 92 . 11 1 1 A 15 15 CYS CB C 15 29.426 28.591 0.835 1
1 94 . 11 1 1 A 15 15 CYS C C 15 176.804 176.422 0.382 1
1 96 . 11 1 1 A 16 16 ASN N N 16 115.775 127.020 -11.245 1
1 97 . 11 1 1 A 16 16 ASN H H 16 9.413 9.080 0.333 1
1 98 . 11 1 1 A 16 16 ASN CA C 16 55.575 55.097 0.478 1
1 99 . 11 1 1 A 16 16 ASN HA H 16 4.489 4.675 -0.186 1
1 100 . 11 1 1 A 16 16 ASN CB C 16 38.399 38.100 0.299 1
1 105 . 11 1 1 A 16 16 ASN C C 16 175.467 176.268 -0.801 1
1 107 . 11 1 1 A 17 17 GLU N N 17 120.746 118.327 2.419 1
1 108 . 11 1 1 A 17 17 GLU H H 17 8.638 7.941 0.697 1
1 109 . 11 1 1 A 17 17 GLU CA C 17 58.455 58.518 -0.063 1
1 110 . 11 1 1 A 17 17 GLU HA H 17 4.176 4.076 0.100 1
1 111 . 11 1 1 A 17 17 GLU CB C 17 29.410 30.125 -0.715 1
1 115 . 11 1 1 A 17 17 GLU C C 17 177.060 177.953 -0.893 1
1 118 . 11 1 1 A 18 18 CYS N N 18 129.116 114.821 14.295 1
1 119 . 11 1 1 A 18 18 CYS H H 18 7.901 7.989 -0.088 1
1 120 . 11 1 1 A 18 18 CYS CA C 18 58.282 59.761 -1.479 1
1 121 . 11 1 1 A 18 18 CYS HA H 18 5.150 4.646 0.504 1
1 122 . 11 1 1 A 18 18 CYS CB C 18 32.401 29.898 2.503 1
1 124 . 11 1 1 A 18 18 CYS C C 18 176.219 175.391 0.828 1
1 126 . 11 1 1 A 19 19 GLY N N 19 113.520 109.613 3.907 1
1 127 . 11 1 1 A 19 19 GLY H H 19 8.182 7.973 0.209 1
1 128 . 11 1 1 A 19 19 GLY CA C 19 46.219 45.204 1.015 1
1 129 . 11 1 1 A 19 19 GLY HA3 H 19 3.689 4.066 -0.377 1
1 130 . 11 1 1 A 19 19 GLY C C 19 173.588 174.822 -1.234 1
1 131 . 11 1 1 A 19 19 GLY HA2 H 19 4.213 4.053 0.160 1
1 132 . 11 1 1 A 20 20 LYS N N 20 122.589 120.979 1.610 1
1 133 . 11 1 1 A 20 20 LYS H H 20 7.851 7.570 0.281 1
1 134 . 11 1 1 A 20 20 LYS CA C 20 58.180 56.982 1.198 1
1 135 . 11 1 1 A 20 20 LYS HA H 20 3.939 4.221 -0.282 1
1 136 . 11 1 1 A 20 20 LYS CB C 20 33.798 34.012 -0.214 1
1 144 . 11 1 1 A 20 20 LYS C C 20 174.180 175.525 -1.345 1
1 149 . 11 1 1 A 21 21 VAL N N 21 117.610 117.120 0.490 1
1 150 . 11 1 1 A 21 21 VAL H H 21 7.594 8.094 -0.500 1
1 151 . 11 1 1 A 21 21 VAL CA C 21 60.526 59.496 1.030 1
1 152 . 11 1 1 A 21 21 VAL HA H 21 4.679 5.301 -0.622 1
1 153 . 11 1 1 A 21 21 VAL CB C 21 34.022 35.894 -1.872 1
1 163 . 11 1 1 A 21 21 VAL C C 21 174.872 174.293 0.579 1
1 164 . 11 1 1 A 22 22 PHE N N 22 121.976 120.662 1.314 1
1 165 . 11 1 1 A 22 22 PHE H H 22 8.775 8.916 -0.141 1
1 166 . 11 1 1 A 22 22 PHE CA C 22 56.821 56.860 -0.039 1
1 167 . 11 1 1 A 22 22 PHE HA H 22 4.800 4.980 -0.180 1
1 168 . 11 1 1 A 22 22 PHE CB C 22 43.204 43.127 0.077 1
1 180 . 11 1 1 A 22 22 PHE C C 22 175.430 175.875 -0.445 1
1 182 . 11 1 1 A 23 23 SER CA C 23 60.085 60.124 -0.039 1
1 183 . 11 1 1 A 23 23 SER HA H 23 4.775 4.599 0.176 1
1 184 . 11 1 1 A 23 23 SER CB C 23 64.261 64.031 0.230 1
1 186 . 11 1 1 A 23 23 SER C C 23 174.312 174.840 -0.528 1
1 188 . 11 1 1 A 24 24 ARG N N 24 116.908 120.376 -3.468 1
1 189 . 11 1 1 A 24 24 ARG H H 24 7.615 7.863 -0.248 1
1 190 . 11 1 1 A 24 24 ARG CA C 24 54.212 54.697 -0.485 1
1 191 . 11 1 1 A 24 24 ARG HA H 24 4.694 4.898 -0.204 1
1 192 . 11 1 1 A 24 24 ARG CB C 24 33.940 31.991 1.949 1
1 198 . 11 1 1 A 24 24 ARG C C 24 176.291 176.269 0.022 1
1 202 . 11 1 1 A 25 25 ASN CA C 25 56.082 56.467 -0.385 1
1 203 . 11 1 1 A 25 25 ASN HA H 25 3.539 3.693 -0.154 1
1 204 . 11 1 1 A 25 25 ASN CB C 25 38.067 37.859 0.208 1
1 210 . 11 1 1 A 26 26 SER CA C 26 60.712 60.854 -0.142 1
1 211 . 11 1 1 A 26 26 SER HA H 26 4.006 4.160 -0.154 1
1 212 . 11 1 1 A 26 26 SER CB C 26 61.415 62.698 -1.283 1
1 214 . 11 1 1 A 26 26 SER C C 26 176.943 175.779 1.164 1
1 216 . 11 1 1 A 27 27 GLN N N 27 120.570 120.458 0.112 1
1 217 . 11 1 1 A 27 27 GLN H H 27 6.621 7.932 -1.311 1
1 218 . 11 1 1 A 27 27 GLN CA C 27 57.591 57.232 0.359 1
1 219 . 11 1 1 A 27 27 GLN HA H 27 3.978 4.272 -0.294 1
1 220 . 11 1 1 A 27 27 GLN CB C 27 28.835 29.438 -0.603 1
1 227 . 11 1 1 A 27 27 GLN C C 27 178.709 177.849 0.860 1
1 230 . 11 1 1 A 28 28 LEU N N 28 121.828 122.777 -0.949 1
1 231 . 11 1 1 A 28 28 LEU H H 28 6.936 7.580 -0.644 1
1 232 . 11 1 1 A 28 28 LEU CA C 28 57.924 57.319 0.605 1
1 233 . 11 1 1 A 28 28 LEU HA H 28 3.285 2.712 0.573 1
1 234 . 11 1 1 A 28 28 LEU CB C 28 40.174 41.087 -0.913 1
1 246 . 11 1 1 A 28 28 LEU C C 28 177.664 178.347 -0.683 1
1 248 . 11 1 1 A 29 29 SER N N 29 114.464 116.026 -1.562 1
1 249 . 11 1 1 A 29 29 SER H H 29 8.367 7.898 0.469 1
1 250 . 11 1 1 A 29 29 SER CA C 29 61.619 62.131 -0.512 1
1 251 . 11 1 1 A 29 29 SER HA H 29 4.166 3.965 0.201 1
1 252 . 11 1 1 A 29 29 SER CB C 29 62.410 63.043 -0.633 1
1 254 . 11 1 1 A 29 29 SER C C 29 177.169 176.359 0.810 1
1 256 . 11 1 1 A 30 30 GLN N N 30 119.104 120.352 -1.248 1
1 257 . 11 1 1 A 30 30 GLN H H 30 7.378 7.926 -0.548 1
1 258 . 11 1 1 A 30 30 GLN CA C 30 58.502 57.981 0.521 1
1 259 . 11 1 1 A 30 30 GLN HA H 30 3.949 4.095 -0.146 1
1 260 . 11 1 1 A 30 30 GLN CB C 30 28.439 28.784 -0.345 1
1 267 . 11 1 1 A 30 30 GLN C C 30 178.325 177.788 0.537 1
1 270 . 11 1 1 A 31 31 HIS N N 31 119.372 121.473 -2.101 1
1 271 . 11 1 1 A 31 31 HIS H H 31 7.619 8.229 -0.610 1
1 272 . 11 1 1 A 31 31 HIS CA C 31 59.042 59.118 -0.076 1
1 273 . 11 1 1 A 31 31 HIS HA H 31 4.149 4.165 -0.016 1
1 274 . 11 1 1 A 31 31 HIS CB C 31 28.503 30.096 -1.593 1
1 280 . 11 1 1 A 31 31 HIS C C 31 176.154 177.018 -0.864 1
1 282 . 11 1 1 A 32 32 GLN N N 32 114.990 117.655 -2.665 1
1 283 . 11 1 1 A 32 32 GLN H H 32 8.319 8.290 0.029 1
1 284 . 11 1 1 A 32 32 GLN CA C 32 59.299 59.190 0.109 1
1 285 . 11 1 1 A 32 32 GLN HA H 32 3.653 3.808 -0.155 1
1 286 . 11 1 1 A 32 32 GLN CB C 32 28.260 28.155 0.105 1
1 293 . 11 1 1 A 32 32 GLN C C 32 177.281 178.704 -1.423 1
1 296 . 11 1 1 A 33 33 LYS N N 33 117.343 117.740 -0.397 1
1 297 . 11 1 1 A 33 33 LYS H H 33 7.039 7.666 -0.627 1
1 298 . 11 1 1 A 33 33 LYS CA C 33 58.503 58.761 -0.258 1
1 299 . 11 1 1 A 33 33 LYS HA H 33 4.067 4.056 0.011 1
1 300 . 11 1 1 A 33 33 LYS CB C 33 32.207 32.135 0.072 1
1 308 . 11 1 1 A 33 33 LYS C C 33 178.726 177.749 0.977 1
1 313 . 11 1 1 A 34 34 ILE N N 34 116.207 116.142 0.065 1
1 314 . 11 1 1 A 34 34 ILE H H 34 7.787 7.901 -0.114 1
1 315 . 11 1 1 A 34 34 ILE CA C 34 62.920 63.652 -0.732 1
1 316 . 11 1 1 A 34 34 ILE HA H 34 3.951 3.745 0.206 1
1 317 . 11 1 1 A 34 34 ILE CB C 34 37.707 37.212 0.495 1
1 329 . 11 1 1 A 34 34 ILE C C 34 177.373 177.284 0.089 1
1 331 . 11 1 1 A 35 35 HIS N N 35 117.836 120.137 -2.301 1
1 332 . 11 1 1 A 35 35 HIS H H 35 7.199 7.833 -0.634 1
1 333 . 11 1 1 A 35 35 HIS CA C 35 55.161 59.073 -3.912 1
1 334 . 11 1 1 A 35 35 HIS HA H 35 4.846 4.434 0.412 1
1 335 . 11 1 1 A 35 35 HIS CB C 35 28.503 30.931 -2.428 1
1 341 . 11 1 1 A 35 35 HIS C C 35 175.779 177.225 -1.446 1
1 343 . 11 1 1 A 36 36 THR N N 36 111.873 110.762 1.111 1
1 344 . 11 1 1 A 36 36 THR H H 36 7.764 7.511 0.253 1
1 345 . 11 1 1 A 36 36 THR CA C 36 62.503 63.325 -0.822 1
1 346 . 11 1 1 A 36 36 THR HA H 36 4.321 4.267 0.054 1
1 347 . 11 1 1 A 36 36 THR CB C 36 69.764 69.738 0.026 1
1 353 . 11 1 1 A 36 36 THR C C 36 175.480 174.784 0.696 1
1 354 . 11 1 1 A 37 37 GLY CA C 37 45.290 45.973 -0.683 1
1 355 . 11 1 1 A 37 37 GLY HA2 H 37 3.948 3.913 0.035 1
1 356 . 11 1 1 A 38 38 GLU N N 38 120.760 124.141 -3.381 1
1 357 . 11 1 1 A 38 38 GLU H H 38 8.217 8.282 -0.065 1
1 358 . 11 1 1 A 38 38 GLU CA C 38 56.439 55.237 1.202 1
1 359 . 11 1 1 A 38 38 GLU HA H 38 4.217 4.581 -0.364 1
1 360 . 11 1 1 A 38 38 GLU CB C 38 30.508 30.445 0.063 1
1 364 . 11 1 1 A 38 38 GLU C C 38 176.214 175.505 0.709 1
1 367 . 11 1 1 A 39 39 LYS N N 39 123.748 118.738 5.010 1
1 368 . 11 1 1 A 39 39 LYS H H 39 8.367 7.264 1.103 1
1 369 . 11 1 1 A 39 39 LYS CA C 39 54.060 54.600 -0.540 1
1 370 . 11 1 1 A 39 39 LYS HA H 39 4.579 4.708 -0.129 1
1 371 . 11 1 1 A 39 39 LYS CB C 39 32.498 32.808 -0.310 1
1 379 . 11 1 1 A 39 39 LYS C C 39 174.434 174.918 -0.484 1
1 384 . 11 1 1 A 40 40 PRO CA C 40 63.176 62.803 0.373 1
1 385 . 11 1 1 A 40 40 PRO HA H 40 4.425 4.735 -0.310 1
1 386 . 11 1 1 A 40 40 PRO CB C 40 32.185 31.625 0.560 1
1 395 . 11 1 1 A 41 41 SER N N 41 116.530 118.324 -1.794 1
1 396 . 11 1 1 A 41 41 SER H H 41 8.478 8.637 -0.159 1
1 397 . 11 1 1 A 43 43 PRO CA C 43 63.216 64.209 -0.993 1
1 398 . 11 1 1 A 43 43 PRO HA H 43 4.443 4.471 -0.028 1
1 399 . 11 1 1 A 43 43 PRO CB C 43 32.152 31.726 0.426 1
1 408 . 11 1 1 A 45 45 SER CA C 45 58.350 59.608 -1.258 1
1 409 . 11 1 1 A 45 45 SER HA H 45 4.462 4.246 0.216 1
1 410 . 11 1 1 A 45 45 SER CB C 45 63.976 62.899 1.077 1
1 1 . 12 1 1 A 8 8 THR CA C 8 61.947 64.781 -2.834 1
1 2 . 12 1 1 A 8 8 THR HA H 8 4.342 4.042 0.300 1
1 3 . 12 1 1 A 8 8 THR CB C 8 69.725 68.483 1.242 1
1 9 . 12 1 1 A 9 9 GLY N N 9 110.629 114.438 -3.809 1
1 10 . 12 1 1 A 9 9 GLY H H 9 8.204 8.891 -0.687 1
1 11 . 12 1 1 A 9 9 GLY CA C 9 45.276 45.286 -0.010 1
1 12 . 12 1 1 A 9 9 GLY HA3 H 9 3.987 3.959 0.028 1
1 13 . 12 1 1 A 9 9 GLY HA2 H 9 3.937 3.958 -0.021 1
1 14 . 12 1 1 A 10 10 GLU N N 10 120.559 121.598 -1.039 1
1 15 . 12 1 1 A 10 10 GLU H H 10 8.088 7.929 0.159 1
1 16 . 12 1 1 A 10 10 GLU CA C 10 56.354 55.486 0.868 1
1 17 . 12 1 1 A 10 10 GLU HA H 10 4.215 4.386 -0.171 1
1 18 . 12 1 1 A 10 10 GLU CB C 10 30.414 28.116 2.298 1
1 21 . 12 1 1 A 10 10 GLU C C 10 176.435 175.050 1.385 1
1 24 . 12 1 1 A 11 11 LYS N N 11 123.361 122.401 0.960 1
1 25 . 12 1 1 A 11 11 LYS H H 11 8.424 7.365 1.059 1
1 26 . 12 1 1 A 11 11 LYS CA C 11 56.048 54.888 1.160 1
1 27 . 12 1 1 A 11 11 LYS HA H 11 4.197 4.505 -0.308 1
1 28 . 12 1 1 A 11 11 LYS CB C 11 32.695 31.947 0.748 1
1 36 . 12 1 1 A 11 11 LYS C C 11 175.537 175.153 0.384 1
1 41 . 12 1 1 A 12 12 ARG N N 12 120.764 124.634 -3.870 1
1 42 . 12 1 1 A 12 12 ARG H H 12 7.986 8.706 -0.720 1
1 43 . 12 1 1 A 12 12 ARG CA C 12 55.218 54.871 0.347 1
1 44 . 12 1 1 A 12 12 ARG HA H 12 4.316 4.540 -0.224 1
1 45 . 12 1 1 A 12 12 ARG CB C 12 32.110 30.220 1.890 1
1 51 . 12 1 1 A 12 12 ARG C C 12 175.043 174.860 0.183 1
1 55 . 12 1 1 A 13 13 TYR N N 13 121.086 125.363 -4.277 1
1 56 . 12 1 1 A 13 13 TYR H H 13 8.420 8.259 0.161 1
1 57 . 12 1 1 A 13 13 TYR CA C 13 57.592 58.377 -0.785 1
1 58 . 12 1 1 A 13 13 TYR HA H 13 4.559 4.709 -0.150 1
1 59 . 12 1 1 A 13 13 TYR CB C 13 38.873 37.754 1.119 1
1 69 . 12 1 1 A 13 13 TYR C C 13 173.957 175.407 -1.450 1
1 71 . 12 1 1 A 14 14 LYS N N 14 125.789 126.189 -0.400 1
1 72 . 12 1 1 A 14 14 LYS H H 14 8.570 8.545 0.025 1
1 73 . 12 1 1 A 14 14 LYS CA C 14 54.913 56.004 -1.091 1
1 74 . 12 1 1 A 14 14 LYS HA H 14 4.971 5.012 -0.041 1
1 75 . 12 1 1 A 14 14 LYS CB C 14 35.797 33.657 2.140 1
1 83 . 12 1 1 A 14 14 LYS C C 14 174.933 176.328 -1.395 1
1 88 . 12 1 1 A 15 15 CYS N N 15 127.853 125.066 2.787 1
1 89 . 12 1 1 A 15 15 CYS H H 15 9.319 9.110 0.209 1
1 90 . 12 1 1 A 15 15 CYS CA C 15 59.341 58.812 0.529 1
1 91 . 12 1 1 A 15 15 CYS HA H 15 4.543 4.603 -0.060 1
1 92 . 12 1 1 A 15 15 CYS CB C 15 29.426 27.487 1.939 1
1 94 . 12 1 1 A 15 15 CYS C C 15 176.804 175.536 1.268 1
1 96 . 12 1 1 A 16 16 ASN N N 16 115.775 125.501 -9.726 1
1 97 . 12 1 1 A 16 16 ASN H H 16 9.413 8.478 0.935 1
1 98 . 12 1 1 A 16 16 ASN CA C 16 55.575 55.608 -0.033 1
1 99 . 12 1 1 A 16 16 ASN HA H 16 4.489 4.527 -0.038 1
1 100 . 12 1 1 A 16 16 ASN CB C 16 38.399 38.200 0.199 1
1 105 . 12 1 1 A 16 16 ASN C C 16 175.467 177.640 -2.173 1
1 107 . 12 1 1 A 17 17 GLU N N 17 120.746 118.799 1.947 1
1 108 . 12 1 1 A 17 17 GLU H H 17 8.638 7.906 0.732 1
1 109 . 12 1 1 A 17 17 GLU CA C 17 58.455 58.644 -0.189 1
1 110 . 12 1 1 A 17 17 GLU HA H 17 4.176 3.949 0.227 1
1 111 . 12 1 1 A 17 17 GLU CB C 17 29.410 29.579 -0.169 1
1 115 . 12 1 1 A 17 17 GLU C C 17 177.060 178.029 -0.969 1
1 118 . 12 1 1 A 18 18 CYS N N 18 129.116 114.670 14.446 1
1 119 . 12 1 1 A 18 18 CYS H H 18 7.901 7.867 0.034 1
1 120 . 12 1 1 A 18 18 CYS CA C 18 58.282 59.459 -1.177 1
1 121 . 12 1 1 A 18 18 CYS HA H 18 5.150 4.604 0.546 1
1 122 . 12 1 1 A 18 18 CYS CB C 18 32.401 29.940 2.461 1
1 124 . 12 1 1 A 18 18 CYS C C 18 176.219 175.438 0.781 1
1 126 . 12 1 1 A 19 19 GLY N N 19 113.520 110.115 3.405 1
1 127 . 12 1 1 A 19 19 GLY H H 19 8.182 8.100 0.082 1
1 128 . 12 1 1 A 19 19 GLY CA C 19 46.219 45.025 1.194 1
1 129 . 12 1 1 A 19 19 GLY HA3 H 19 3.689 4.095 -0.406 1
1 130 . 12 1 1 A 19 19 GLY C C 19 173.588 174.731 -1.143 1
1 131 . 12 1 1 A 19 19 GLY HA2 H 19 4.213 4.082 0.131 1
1 132 . 12 1 1 A 20 20 LYS N N 20 122.589 120.556 2.033 1
1 133 . 12 1 1 A 20 20 LYS H H 20 7.851 7.536 0.315 1
1 134 . 12 1 1 A 20 20 LYS CA C 20 58.180 56.715 1.465 1
1 135 . 12 1 1 A 20 20 LYS HA H 20 3.939 4.285 -0.346 1
1 136 . 12 1 1 A 20 20 LYS CB C 20 33.798 34.189 -0.391 1
1 144 . 12 1 1 A 20 20 LYS C C 20 174.180 175.438 -1.258 1
1 149 . 12 1 1 A 21 21 VAL N N 21 117.610 117.022 0.588 1
1 150 . 12 1 1 A 21 21 VAL H H 21 7.594 8.198 -0.604 1
1 151 . 12 1 1 A 21 21 VAL CA C 21 60.526 59.348 1.178 1
1 152 . 12 1 1 A 21 21 VAL HA H 21 4.679 5.104 -0.425 1
1 153 . 12 1 1 A 21 21 VAL CB C 21 34.022 36.032 -2.010 1
1 163 . 12 1 1 A 21 21 VAL C C 21 174.872 174.542 0.330 1
1 164 . 12 1 1 A 22 22 PHE N N 22 121.976 120.330 1.646 1
1 165 . 12 1 1 A 22 22 PHE H H 22 8.775 8.883 -0.108 1
1 166 . 12 1 1 A 22 22 PHE CA C 22 56.821 56.476 0.345 1
1 167 . 12 1 1 A 22 22 PHE HA H 22 4.800 4.927 -0.127 1
1 168 . 12 1 1 A 22 22 PHE CB C 22 43.204 42.429 0.775 1
1 180 . 12 1 1 A 22 22 PHE C C 22 175.430 175.815 -0.385 1
1 182 . 12 1 1 A 23 23 SER CA C 23 60.085 62.178 -2.093 1
1 183 . 12 1 1 A 23 23 SER HA H 23 4.775 4.150 0.625 1
1 184 . 12 1 1 A 23 23 SER CB C 23 64.261 63.016 1.245 1
1 186 . 12 1 1 A 23 23 SER C C 23 174.312 175.080 -0.768 1
1 188 . 12 1 1 A 24 24 ARG N N 24 116.908 118.948 -2.040 1
1 189 . 12 1 1 A 24 24 ARG H H 24 7.615 8.166 -0.551 1
1 190 . 12 1 1 A 24 24 ARG CA C 24 54.212 54.583 -0.371 1
1 191 . 12 1 1 A 24 24 ARG HA H 24 4.694 4.986 -0.292 1
1 192 . 12 1 1 A 24 24 ARG CB C 24 33.940 33.309 0.631 1
1 198 . 12 1 1 A 24 24 ARG C C 24 176.291 176.629 -0.338 1
1 202 . 12 1 1 A 25 25 ASN CA C 25 56.082 56.133 -0.051 1
1 203 . 12 1 1 A 25 25 ASN HA H 25 3.539 4.462 -0.923 1
1 204 . 12 1 1 A 25 25 ASN CB C 25 38.067 36.899 1.168 1
1 210 . 12 1 1 A 26 26 SER CA C 26 60.712 60.888 -0.176 1
1 211 . 12 1 1 A 26 26 SER HA H 26 4.006 4.068 -0.062 1
1 212 . 12 1 1 A 26 26 SER CB C 26 61.415 63.150 -1.735 1
1 214 . 12 1 1 A 26 26 SER C C 26 176.943 175.800 1.143 1
1 216 . 12 1 1 A 27 27 GLN N N 27 120.570 119.350 1.220 1
1 217 . 12 1 1 A 27 27 GLN H H 27 6.621 7.669 -1.048 1
1 218 . 12 1 1 A 27 27 GLN CA C 27 57.591 57.346 0.245 1
1 219 . 12 1 1 A 27 27 GLN HA H 27 3.978 4.298 -0.320 1
1 220 . 12 1 1 A 27 27 GLN CB C 27 28.835 29.374 -0.539 1
1 227 . 12 1 1 A 27 27 GLN C C 27 178.709 177.913 0.796 1
1 230 . 12 1 1 A 28 28 LEU N N 28 121.828 122.769 -0.941 1
1 231 . 12 1 1 A 28 28 LEU H H 28 6.936 7.750 -0.814 1
1 232 . 12 1 1 A 28 28 LEU CA C 28 57.924 57.423 0.501 1
1 233 . 12 1 1 A 28 28 LEU HA H 28 3.285 2.622 0.663 1
1 234 . 12 1 1 A 28 28 LEU CB C 28 40.174 41.156 -0.982 1
1 246 . 12 1 1 A 28 28 LEU C C 28 177.664 178.077 -0.413 1
1 248 . 12 1 1 A 29 29 SER N N 29 114.464 114.414 0.050 1
1 249 . 12 1 1 A 29 29 SER H H 29 8.367 8.319 0.048 1
1 250 . 12 1 1 A 29 29 SER CA C 29 61.619 61.416 0.203 1
1 251 . 12 1 1 A 29 29 SER HA H 29 4.166 3.977 0.189 1
1 252 . 12 1 1 A 29 29 SER CB C 29 62.410 62.825 -0.415 1
1 254 . 12 1 1 A 29 29 SER C C 29 177.169 177.041 0.128 1
1 256 . 12 1 1 A 30 30 GLN N N 30 119.104 121.040 -1.936 1
1 257 . 12 1 1 A 30 30 GLN H H 30 7.378 7.904 -0.526 1
1 258 . 12 1 1 A 30 30 GLN CA C 30 58.502 57.959 0.543 1
1 259 . 12 1 1 A 30 30 GLN HA H 30 3.949 4.108 -0.159 1
1 260 . 12 1 1 A 30 30 GLN CB C 30 28.439 28.865 -0.426 1
1 267 . 12 1 1 A 30 30 GLN C C 30 178.325 177.733 0.592 1
1 270 . 12 1 1 A 31 31 HIS N N 31 119.372 121.502 -2.130 1
1 271 . 12 1 1 A 31 31 HIS H H 31 7.619 8.137 -0.518 1
1 272 . 12 1 1 A 31 31 HIS CA C 31 59.042 59.015 0.027 1
1 273 . 12 1 1 A 31 31 HIS HA H 31 4.149 4.193 -0.044 1
1 274 . 12 1 1 A 31 31 HIS CB C 31 28.503 30.039 -1.536 1
1 280 . 12 1 1 A 31 31 HIS C C 31 176.154 177.128 -0.974 1
1 282 . 12 1 1 A 32 32 GLN N N 32 114.990 117.635 -2.645 1
1 283 . 12 1 1 A 32 32 GLN H H 32 8.319 8.433 -0.114 1
1 284 . 12 1 1 A 32 32 GLN CA C 32 59.299 59.344 -0.045 1
1 285 . 12 1 1 A 32 32 GLN HA H 32 3.653 3.906 -0.253 1
1 286 . 12 1 1 A 32 32 GLN CB C 32 28.260 28.314 -0.054 1
1 293 . 12 1 1 A 32 32 GLN C C 32 177.281 178.548 -1.267 1
1 296 . 12 1 1 A 33 33 LYS N N 33 117.343 117.890 -0.547 1
1 297 . 12 1 1 A 33 33 LYS H H 33 7.039 7.702 -0.663 1
1 298 . 12 1 1 A 33 33 LYS CA C 33 58.503 58.884 -0.381 1
1 299 . 12 1 1 A 33 33 LYS HA H 33 4.067 4.244 -0.177 1
1 300 . 12 1 1 A 33 33 LYS CB C 33 32.207 32.265 -0.058 1
1 308 . 12 1 1 A 33 33 LYS C C 33 178.726 177.900 0.826 1
1 313 . 12 1 1 A 34 34 ILE N N 34 116.207 116.377 -0.170 1
1 314 . 12 1 1 A 34 34 ILE H H 34 7.787 8.047 -0.260 1
1 315 . 12 1 1 A 34 34 ILE CA C 34 62.920 63.781 -0.861 1
1 316 . 12 1 1 A 34 34 ILE HA H 34 3.951 3.733 0.218 1
1 317 . 12 1 1 A 34 34 ILE CB C 34 37.707 37.237 0.470 1
1 329 . 12 1 1 A 34 34 ILE C C 34 177.373 177.223 0.150 1
1 331 . 12 1 1 A 35 35 HIS N N 35 117.836 119.303 -1.467 1
1 332 . 12 1 1 A 35 35 HIS H H 35 7.199 7.676 -0.477 1
1 333 . 12 1 1 A 35 35 HIS CA C 35 55.161 58.562 -3.401 1
1 334 . 12 1 1 A 35 35 HIS HA H 35 4.846 4.449 0.397 1
1 335 . 12 1 1 A 35 35 HIS CB C 35 28.503 31.111 -2.608 1
1 341 . 12 1 1 A 35 35 HIS C C 35 175.779 175.477 0.302 1
1 343 . 12 1 1 A 36 36 THR N N 36 111.873 110.714 1.159 1
1 344 . 12 1 1 A 36 36 THR H H 36 7.764 7.492 0.272 1
1 345 . 12 1 1 A 36 36 THR CA C 36 62.503 61.774 0.729 1
1 346 . 12 1 1 A 36 36 THR HA H 36 4.321 4.358 -0.037 1
1 347 . 12 1 1 A 36 36 THR CB C 36 69.764 69.010 0.754 1
1 353 . 12 1 1 A 36 36 THR C C 36 175.480 174.631 0.849 1
1 354 . 12 1 1 A 37 37 GLY CA C 37 45.290 44.427 0.863 1
1 355 . 12 1 1 A 37 37 GLY HA2 H 37 3.948 4.383 -0.435 1
1 356 . 12 1 1 A 38 38 GLU N N 38 120.760 118.645 2.115 1
1 357 . 12 1 1 A 38 38 GLU H H 38 8.217 8.579 -0.362 1
1 358 . 12 1 1 A 38 38 GLU CA C 38 56.439 56.200 0.239 1
1 359 . 12 1 1 A 38 38 GLU HA H 38 4.217 4.437 -0.220 1
1 360 . 12 1 1 A 38 38 GLU CB C 38 30.508 30.209 0.299 1
1 364 . 12 1 1 A 38 38 GLU C C 38 176.214 174.955 1.259 1
1 367 . 12 1 1 A 39 39 LYS N N 39 123.748 117.810 5.938 1
1 368 . 12 1 1 A 39 39 LYS H H 39 8.367 7.435 0.932 1
1 369 . 12 1 1 A 39 39 LYS CA C 39 54.060 53.045 1.015 1
1 370 . 12 1 1 A 39 39 LYS HA H 39 4.579 4.786 -0.207 1
1 371 . 12 1 1 A 39 39 LYS CB C 39 32.498 35.229 -2.731 1
1 379 . 12 1 1 A 39 39 LYS C C 39 174.434 174.209 0.225 1
1 384 . 12 1 1 A 40 40 PRO CA C 40 63.176 62.173 1.003 1
1 385 . 12 1 1 A 40 40 PRO HA H 40 4.425 4.690 -0.265 1
1 386 . 12 1 1 A 40 40 PRO CB C 40 32.185 29.277 2.908 1
1 395 . 12 1 1 A 41 41 SER N N 41 116.530 120.645 -4.115 1
1 396 . 12 1 1 A 41 41 SER H H 41 8.478 8.453 0.025 1
1 397 . 12 1 1 A 43 43 PRO CA C 43 63.216 65.350 -2.134 1
1 398 . 12 1 1 A 43 43 PRO HA H 43 4.443 4.412 0.031 1
1 399 . 12 1 1 A 43 43 PRO CB C 43 32.152 31.755 0.397 1
1 408 . 12 1 1 A 45 45 SER CA C 45 58.350 59.598 -1.248 1
1 409 . 12 1 1 A 45 45 SER HA H 45 4.462 4.450 0.012 1
1 410 . 12 1 1 A 45 45 SER CB C 45 63.976 64.163 -0.187 1
1 1 . 13 1 1 A 8 8 THR CA C 8 61.947 61.378 0.569 1
1 2 . 13 1 1 A 8 8 THR HA H 8 4.342 4.484 -0.142 1
1 3 . 13 1 1 A 8 8 THR CB C 8 69.725 69.576 0.149 1
1 9 . 13 1 1 A 9 9 GLY N N 9 110.629 110.466 0.163 1
1 10 . 13 1 1 A 9 9 GLY H H 9 8.204 8.473 -0.269 1
1 11 . 13 1 1 A 9 9 GLY CA C 9 45.276 44.450 0.826 1
1 12 . 13 1 1 A 9 9 GLY HA3 H 9 3.987 4.081 -0.094 1
1 13 . 13 1 1 A 9 9 GLY HA2 H 9 3.937 4.077 -0.140 1
1 14 . 13 1 1 A 10 10 GLU N N 10 120.559 120.959 -0.400 1
1 15 . 13 1 1 A 10 10 GLU H H 10 8.088 8.579 -0.491 1
1 16 . 13 1 1 A 10 10 GLU CA C 10 56.354 56.966 -0.612 1
1 17 . 13 1 1 A 10 10 GLU HA H 10 4.215 4.241 -0.026 1
1 18 . 13 1 1 A 10 10 GLU CB C 10 30.414 30.053 0.361 1
1 21 . 13 1 1 A 10 10 GLU C C 10 176.435 176.407 0.028 1
1 24 . 13 1 1 A 11 11 LYS N N 11 123.361 126.553 -3.192 1
1 25 . 13 1 1 A 11 11 LYS H H 11 8.424 8.650 -0.226 1
1 26 . 13 1 1 A 11 11 LYS CA C 11 56.048 55.605 0.443 1
1 27 . 13 1 1 A 11 11 LYS HA H 11 4.197 4.357 -0.160 1
1 28 . 13 1 1 A 11 11 LYS CB C 11 32.695 31.042 1.653 1
1 36 . 13 1 1 A 11 11 LYS C C 11 175.537 175.475 0.062 1
1 41 . 13 1 1 A 12 12 ARG N N 12 120.764 122.267 -1.503 1
1 42 . 13 1 1 A 12 12 ARG H H 12 7.986 8.168 -0.182 1
1 43 . 13 1 1 A 12 12 ARG CA C 12 55.218 54.515 0.703 1
1 44 . 13 1 1 A 12 12 ARG HA H 12 4.316 5.149 -0.833 1
1 45 . 13 1 1 A 12 12 ARG CB C 12 32.110 33.210 -1.100 1
1 51 . 13 1 1 A 12 12 ARG C C 12 175.043 174.142 0.901 1
1 55 . 13 1 1 A 13 13 TYR N N 13 121.086 123.951 -2.865 1
1 56 . 13 1 1 A 13 13 TYR H H 13 8.420 8.867 -0.447 1
1 57 . 13 1 1 A 13 13 TYR CA C 13 57.592 58.460 -0.868 1
1 58 . 13 1 1 A 13 13 TYR HA H 13 4.559 4.796 -0.237 1
1 59 . 13 1 1 A 13 13 TYR CB C 13 38.873 39.225 -0.352 1
1 69 . 13 1 1 A 13 13 TYR C C 13 173.957 175.223 -1.266 1
1 71 . 13 1 1 A 14 14 LYS N N 14 125.789 121.243 4.546 1
1 72 . 13 1 1 A 14 14 LYS H H 14 8.570 8.970 -0.400 1
1 73 . 13 1 1 A 14 14 LYS CA C 14 54.913 54.735 0.178 1
1 74 . 13 1 1 A 14 14 LYS HA H 14 4.971 5.435 -0.464 1
1 75 . 13 1 1 A 14 14 LYS CB C 14 35.797 36.389 -0.592 1
1 83 . 13 1 1 A 14 14 LYS C C 14 174.933 175.105 -0.172 1
1 88 . 13 1 1 A 15 15 CYS N N 15 127.853 125.396 2.457 1
1 89 . 13 1 1 A 15 15 CYS H H 15 9.319 9.405 -0.086 1
1 90 . 13 1 1 A 15 15 CYS CA C 15 59.341 59.269 0.072 1
1 91 . 13 1 1 A 15 15 CYS HA H 15 4.543 4.557 -0.014 1
1 92 . 13 1 1 A 15 15 CYS CB C 15 29.426 27.715 1.711 1
1 94 . 13 1 1 A 15 15 CYS C C 15 176.804 175.690 1.114 1
1 96 . 13 1 1 A 16 16 ASN N N 16 115.775 125.824 -10.049 1
1 97 . 13 1 1 A 16 16 ASN H H 16 9.413 8.989 0.424 1
1 98 . 13 1 1 A 16 16 ASN CA C 16 55.575 55.602 -0.027 1
1 99 . 13 1 1 A 16 16 ASN HA H 16 4.489 4.541 -0.052 1
1 100 . 13 1 1 A 16 16 ASN CB C 16 38.399 38.195 0.204 1
1 105 . 13 1 1 A 16 16 ASN C C 16 175.467 177.446 -1.979 1
1 107 . 13 1 1 A 17 17 GLU N N 17 120.746 118.735 2.011 1
1 108 . 13 1 1 A 17 17 GLU H H 17 8.638 7.873 0.765 1
1 109 . 13 1 1 A 17 17 GLU CA C 17 58.455 58.811 -0.356 1
1 110 . 13 1 1 A 17 17 GLU HA H 17 4.176 3.944 0.232 1
1 111 . 13 1 1 A 17 17 GLU CB C 17 29.410 29.598 -0.188 1
1 115 . 13 1 1 A 17 17 GLU C C 17 177.060 178.186 -1.126 1
1 118 . 13 1 1 A 18 18 CYS N N 18 129.116 114.638 14.478 1
1 119 . 13 1 1 A 18 18 CYS H H 18 7.901 7.811 0.090 1
1 120 . 13 1 1 A 18 18 CYS CA C 18 58.282 59.552 -1.270 1
1 121 . 13 1 1 A 18 18 CYS HA H 18 5.150 4.514 0.636 1
1 122 . 13 1 1 A 18 18 CYS CB C 18 32.401 29.482 2.919 1
1 124 . 13 1 1 A 18 18 CYS C C 18 176.219 175.268 0.951 1
1 126 . 13 1 1 A 19 19 GLY N N 19 113.520 109.770 3.750 1
1 127 . 13 1 1 A 19 19 GLY H H 19 8.182 7.829 0.353 1
1 128 . 13 1 1 A 19 19 GLY CA C 19 46.219 45.189 1.030 1
1 129 . 13 1 1 A 19 19 GLY HA3 H 19 3.689 4.057 -0.368 1
1 130 . 13 1 1 A 19 19 GLY C C 19 173.588 174.736 -1.148 1
1 131 . 13 1 1 A 19 19 GLY HA2 H 19 4.213 4.045 0.168 1
1 132 . 13 1 1 A 20 20 LYS N N 20 122.589 120.913 1.676 1
1 133 . 13 1 1 A 20 20 LYS H H 20 7.851 7.540 0.311 1
1 134 . 13 1 1 A 20 20 LYS CA C 20 58.180 56.925 1.255 1
1 135 . 13 1 1 A 20 20 LYS HA H 20 3.939 4.215 -0.276 1
1 136 . 13 1 1 A 20 20 LYS CB C 20 33.798 33.655 0.143 1
1 144 . 13 1 1 A 20 20 LYS C C 20 174.180 175.545 -1.365 1
1 149 . 13 1 1 A 21 21 VAL N N 21 117.610 117.119 0.491 1
1 150 . 13 1 1 A 21 21 VAL H H 21 7.594 8.249 -0.655 1
1 151 . 13 1 1 A 21 21 VAL CA C 21 60.526 59.153 1.373 1
1 152 . 13 1 1 A 21 21 VAL HA H 21 4.679 5.474 -0.795 1
1 153 . 13 1 1 A 21 21 VAL CB C 21 34.022 35.985 -1.963 1
1 163 . 13 1 1 A 21 21 VAL C C 21 174.872 174.608 0.264 1
1 164 . 13 1 1 A 22 22 PHE N N 22 121.976 120.415 1.561 1
1 165 . 13 1 1 A 22 22 PHE H H 22 8.775 8.515 0.260 1
1 166 . 13 1 1 A 22 22 PHE CA C 22 56.821 56.507 0.314 1
1 167 . 13 1 1 A 22 22 PHE HA H 22 4.800 4.940 -0.140 1
1 168 . 13 1 1 A 22 22 PHE CB C 22 43.204 42.071 1.133 1
1 180 . 13 1 1 A 22 22 PHE C C 22 175.430 175.917 -0.487 1
1 182 . 13 1 1 A 23 23 SER CA C 23 60.085 62.072 -1.987 1
1 183 . 13 1 1 A 23 23 SER HA H 23 4.775 4.319 0.456 1
1 184 . 13 1 1 A 23 23 SER CB C 23 64.261 63.105 1.156 1
1 186 . 13 1 1 A 23 23 SER C C 23 174.312 174.938 -0.626 1
1 188 . 13 1 1 A 24 24 ARG N N 24 116.908 120.570 -3.662 1
1 189 . 13 1 1 A 24 24 ARG H H 24 7.615 8.101 -0.486 1
1 190 . 13 1 1 A 24 24 ARG CA C 24 54.212 54.353 -0.141 1
1 191 . 13 1 1 A 24 24 ARG HA H 24 4.694 4.882 -0.188 1
1 192 . 13 1 1 A 24 24 ARG CB C 24 33.940 33.198 0.742 1
1 198 . 13 1 1 A 24 24 ARG C C 24 176.291 176.273 0.018 1
1 202 . 13 1 1 A 25 25 ASN CA C 25 56.082 55.446 0.636 1
1 203 . 13 1 1 A 25 25 ASN HA H 25 3.539 3.667 -0.128 1
1 204 . 13 1 1 A 25 25 ASN CB C 25 38.067 37.525 0.542 1
1 210 . 13 1 1 A 26 26 SER CA C 26 60.712 60.738 -0.026 1
1 211 . 13 1 1 A 26 26 SER HA H 26 4.006 4.102 -0.096 1
1 212 . 13 1 1 A 26 26 SER CB C 26 61.415 62.985 -1.570 1
1 214 . 13 1 1 A 26 26 SER C C 26 176.943 175.231 1.712 1
1 216 . 13 1 1 A 27 27 GLN N N 27 120.570 118.538 2.032 1
1 217 . 13 1 1 A 27 27 GLN H H 27 6.621 7.640 -1.019 1
1 218 . 13 1 1 A 27 27 GLN CA C 27 57.591 56.919 0.672 1
1 219 . 13 1 1 A 27 27 GLN HA H 27 3.978 4.257 -0.279 1
1 220 . 13 1 1 A 27 27 GLN CB C 27 28.835 29.498 -0.663 1
1 227 . 13 1 1 A 27 27 GLN C C 27 178.709 177.183 1.526 1
1 230 . 13 1 1 A 28 28 LEU N N 28 121.828 122.022 -0.194 1
1 231 . 13 1 1 A 28 28 LEU H H 28 6.936 7.518 -0.582 1
1 232 . 13 1 1 A 28 28 LEU CA C 28 57.924 56.551 1.373 1
1 233 . 13 1 1 A 28 28 LEU HA H 28 3.285 2.362 0.923 1
1 234 . 13 1 1 A 28 28 LEU CB C 28 40.174 41.958 -1.784 1
1 246 . 13 1 1 A 28 28 LEU C C 28 177.664 177.839 -0.175 1
1 248 . 13 1 1 A 29 29 SER N N 29 114.464 114.787 -0.323 1
1 249 . 13 1 1 A 29 29 SER H H 29 8.367 8.207 0.160 1
1 250 . 13 1 1 A 29 29 SER CA C 29 61.619 61.507 0.112 1
1 251 . 13 1 1 A 29 29 SER HA H 29 4.166 3.919 0.247 1
1 252 . 13 1 1 A 29 29 SER CB C 29 62.410 62.815 -0.405 1
1 254 . 13 1 1 A 29 29 SER C C 29 177.169 176.704 0.465 1
1 256 . 13 1 1 A 30 30 GLN N N 30 119.104 118.483 0.621 1
1 257 . 13 1 1 A 30 30 GLN H H 30 7.378 8.398 -1.020 1
1 258 . 13 1 1 A 30 30 GLN CA C 30 58.502 57.757 0.745 1
1 259 . 13 1 1 A 30 30 GLN HA H 30 3.949 4.141 -0.192 1
1 260 . 13 1 1 A 30 30 GLN CB C 30 28.439 27.347 1.092 1
1 267 . 13 1 1 A 30 30 GLN C C 30 178.325 177.543 0.782 1
1 270 . 13 1 1 A 31 31 HIS N N 31 119.372 119.716 -0.344 1
1 271 . 13 1 1 A 31 31 HIS H H 31 7.619 8.110 -0.491 1
1 272 . 13 1 1 A 31 31 HIS CA C 31 59.042 59.011 0.031 1
1 273 . 13 1 1 A 31 31 HIS HA H 31 4.149 4.210 -0.061 1
1 274 . 13 1 1 A 31 31 HIS CB C 31 28.503 30.125 -1.622 1
1 280 . 13 1 1 A 31 31 HIS C C 31 176.154 177.076 -0.922 1
1 282 . 13 1 1 A 32 32 GLN N N 32 114.990 118.072 -3.082 1
1 283 . 13 1 1 A 32 32 GLN H H 32 8.319 8.519 -0.200 1
1 284 . 13 1 1 A 32 32 GLN CA C 32 59.299 59.158 0.141 1
1 285 . 13 1 1 A 32 32 GLN HA H 32 3.653 3.961 -0.308 1
1 286 . 13 1 1 A 32 32 GLN CB C 32 28.260 28.175 0.085 1
1 293 . 13 1 1 A 32 32 GLN C C 32 177.281 178.381 -1.100 1
1 296 . 13 1 1 A 33 33 LYS N N 33 117.343 117.535 -0.192 1
1 297 . 13 1 1 A 33 33 LYS H H 33 7.039 7.820 -0.781 1
1 298 . 13 1 1 A 33 33 LYS CA C 33 58.503 58.813 -0.310 1
1 299 . 13 1 1 A 33 33 LYS HA H 33 4.067 4.413 -0.346 1
1 300 . 13 1 1 A 33 33 LYS CB C 33 32.207 31.910 0.297 1
1 308 . 13 1 1 A 33 33 LYS C C 33 178.726 177.863 0.863 1
1 313 . 13 1 1 A 34 34 ILE N N 34 116.207 116.575 -0.368 1
1 314 . 13 1 1 A 34 34 ILE H H 34 7.787 7.877 -0.090 1
1 315 . 13 1 1 A 34 34 ILE CA C 34 62.920 64.335 -1.415 1
1 316 . 13 1 1 A 34 34 ILE HA H 34 3.951 3.691 0.260 1
1 317 . 13 1 1 A 34 34 ILE CB C 34 37.707 37.125 0.582 1
1 329 . 13 1 1 A 34 34 ILE C C 34 177.373 177.510 -0.137 1
1 331 . 13 1 1 A 35 35 HIS N N 35 117.836 120.897 -3.061 1
1 332 . 13 1 1 A 35 35 HIS H H 35 7.199 7.808 -0.609 1
1 333 . 13 1 1 A 35 35 HIS CA C 35 55.161 59.176 -4.015 1
1 334 . 13 1 1 A 35 35 HIS HA H 35 4.846 4.390 0.456 1
1 335 . 13 1 1 A 35 35 HIS CB C 35 28.503 30.792 -2.289 1
1 341 . 13 1 1 A 35 35 HIS C C 35 175.779 178.103 -2.324 1
1 343 . 13 1 1 A 36 36 THR N N 36 111.873 112.875 -1.002 1
1 344 . 13 1 1 A 36 36 THR H H 36 7.764 7.702 0.062 1
1 345 . 13 1 1 A 36 36 THR CA C 36 62.503 64.107 -1.604 1
1 346 . 13 1 1 A 36 36 THR HA H 36 4.321 4.016 0.305 1
1 347 . 13 1 1 A 36 36 THR CB C 36 69.764 69.142 0.622 1
1 353 . 13 1 1 A 36 36 THR C C 36 175.480 174.589 0.891 1
1 354 . 13 1 1 A 37 37 GLY CA C 37 45.290 45.342 -0.052 1
1 355 . 13 1 1 A 37 37 GLY HA2 H 37 3.948 3.907 0.041 1
1 356 . 13 1 1 A 38 38 GLU N N 38 120.760 121.088 -0.328 1
1 357 . 13 1 1 A 38 38 GLU H H 38 8.217 8.556 -0.339 1
1 358 . 13 1 1 A 38 38 GLU CA C 38 56.439 56.349 0.090 1
1 359 . 13 1 1 A 38 38 GLU HA H 38 4.217 4.369 -0.152 1
1 360 . 13 1 1 A 38 38 GLU CB C 38 30.508 30.698 -0.190 1
1 364 . 13 1 1 A 38 38 GLU C C 38 176.214 175.917 0.297 1
1 367 . 13 1 1 A 39 39 LYS N N 39 123.748 118.311 5.437 1
1 368 . 13 1 1 A 39 39 LYS H H 39 8.367 9.029 -0.662 1
1 369 . 13 1 1 A 39 39 LYS CA C 39 54.060 53.218 0.842 1
1 370 . 13 1 1 A 39 39 LYS HA H 39 4.579 5.012 -0.433 1
1 371 . 13 1 1 A 39 39 LYS CB C 39 32.498 35.699 -3.201 1
1 379 . 13 1 1 A 39 39 LYS C C 39 174.434 174.421 0.013 1
1 384 . 13 1 1 A 40 40 PRO CA C 40 63.176 62.311 0.865 1
1 385 . 13 1 1 A 40 40 PRO HA H 40 4.425 4.599 -0.174 1
1 386 . 13 1 1 A 40 40 PRO CB C 40 32.185 32.694 -0.509 1
1 395 . 13 1 1 A 41 41 SER N N 41 116.530 116.674 -0.144 1
1 396 . 13 1 1 A 41 41 SER H H 41 8.478 8.763 -0.285 1
1 397 . 13 1 1 A 43 43 PRO CA C 43 63.216 62.690 0.526 1
1 398 . 13 1 1 A 43 43 PRO HA H 43 4.443 4.646 -0.203 1
1 399 . 13 1 1 A 43 43 PRO CB C 43 32.152 32.385 -0.233 1
1 408 . 13 1 1 A 45 45 SER CA C 45 58.350 57.332 1.018 1
1 409 . 13 1 1 A 45 45 SER HA H 45 4.462 4.984 -0.522 1
1 410 . 13 1 1 A 45 45 SER CB C 45 63.976 65.839 -1.863 1
1 1 . 14 1 1 A 8 8 THR CA C 8 61.947 62.837 -0.890 1
1 2 . 14 1 1 A 8 8 THR HA H 8 4.342 4.215 0.127 1
1 3 . 14 1 1 A 8 8 THR CB C 8 69.725 68.995 0.730 1
1 9 . 14 1 1 A 9 9 GLY N N 9 110.629 109.428 1.201 1
1 10 . 14 1 1 A 9 9 GLY H H 9 8.204 8.421 -0.217 1
1 11 . 14 1 1 A 9 9 GLY CA C 9 45.276 46.001 -0.725 1
1 12 . 14 1 1 A 9 9 GLY HA3 H 9 3.987 4.149 -0.162 1
1 13 . 14 1 1 A 9 9 GLY HA2 H 9 3.937 4.147 -0.210 1
1 14 . 14 1 1 A 10 10 GLU N N 10 120.559 122.813 -2.254 1
1 15 . 14 1 1 A 10 10 GLU H H 10 8.088 8.610 -0.522 1
1 16 . 14 1 1 A 10 10 GLU CA C 10 56.354 54.922 1.432 1
1 17 . 14 1 1 A 10 10 GLU HA H 10 4.215 4.863 -0.648 1
1 18 . 14 1 1 A 10 10 GLU CB C 10 30.414 32.451 -2.037 1
1 21 . 14 1 1 A 10 10 GLU C C 10 176.435 174.757 1.678 1
1 24 . 14 1 1 A 11 11 LYS N N 11 123.361 122.962 0.399 1
1 25 . 14 1 1 A 11 11 LYS H H 11 8.424 8.606 -0.182 1
1 26 . 14 1 1 A 11 11 LYS CA C 11 56.048 54.791 1.257 1
1 27 . 14 1 1 A 11 11 LYS HA H 11 4.197 4.783 -0.586 1
1 28 . 14 1 1 A 11 11 LYS CB C 11 32.695 33.947 -1.252 1
1 36 . 14 1 1 A 11 11 LYS C C 11 175.537 174.672 0.865 1
1 41 . 14 1 1 A 12 12 ARG N N 12 120.764 123.346 -2.582 1
1 42 . 14 1 1 A 12 12 ARG H H 12 7.986 8.488 -0.502 1
1 43 . 14 1 1 A 12 12 ARG CA C 12 55.218 54.780 0.438 1
1 44 . 14 1 1 A 12 12 ARG HA H 12 4.316 4.837 -0.521 1
1 45 . 14 1 1 A 12 12 ARG CB C 12 32.110 32.216 -0.106 1
1 51 . 14 1 1 A 12 12 ARG C C 12 175.043 174.675 0.368 1
1 55 . 14 1 1 A 13 13 TYR N N 13 121.086 123.206 -2.120 1
1 56 . 14 1 1 A 13 13 TYR H H 13 8.420 8.831 -0.411 1
1 57 . 14 1 1 A 13 13 TYR CA C 13 57.592 57.691 -0.099 1
1 58 . 14 1 1 A 13 13 TYR HA H 13 4.559 4.982 -0.423 1
1 59 . 14 1 1 A 13 13 TYR CB C 13 38.873 38.416 0.457 1
1 69 . 14 1 1 A 13 13 TYR C C 13 173.957 175.079 -1.122 1
1 71 . 14 1 1 A 14 14 LYS N N 14 125.789 125.913 -0.124 1
1 72 . 14 1 1 A 14 14 LYS H H 14 8.570 8.839 -0.269 1
1 73 . 14 1 1 A 14 14 LYS CA C 14 54.913 54.978 -0.065 1
1 74 . 14 1 1 A 14 14 LYS HA H 14 4.971 5.300 -0.329 1
1 75 . 14 1 1 A 14 14 LYS CB C 14 35.797 34.483 1.314 1
1 83 . 14 1 1 A 14 14 LYS C C 14 174.933 176.402 -1.469 1
1 88 . 14 1 1 A 15 15 CYS N N 15 127.853 125.330 2.523 1
1 89 . 14 1 1 A 15 15 CYS H H 15 9.319 9.271 0.048 1
1 90 . 14 1 1 A 15 15 CYS CA C 15 59.341 59.971 -0.630 1
1 91 . 14 1 1 A 15 15 CYS HA H 15 4.543 4.582 -0.039 1
1 92 . 14 1 1 A 15 15 CYS CB C 15 29.426 29.013 0.413 1
1 94 . 14 1 1 A 15 15 CYS C C 15 176.804 176.112 0.692 1
1 96 . 14 1 1 A 16 16 ASN N N 16 115.775 126.399 -10.624 1
1 97 . 14 1 1 A 16 16 ASN H H 16 9.413 8.991 0.422 1
1 98 . 14 1 1 A 16 16 ASN CA C 16 55.575 54.958 0.617 1
1 99 . 14 1 1 A 16 16 ASN HA H 16 4.489 4.765 -0.276 1
1 100 . 14 1 1 A 16 16 ASN CB C 16 38.399 38.351 0.048 1
1 105 . 14 1 1 A 16 16 ASN C C 16 175.467 175.711 -0.244 1
1 107 . 14 1 1 A 17 17 GLU N N 17 120.746 117.250 3.496 1
1 108 . 14 1 1 A 17 17 GLU H H 17 8.638 7.982 0.656 1
1 109 . 14 1 1 A 17 17 GLU CA C 17 58.455 57.593 0.862 1
1 110 . 14 1 1 A 17 17 GLU HA H 17 4.176 4.258 -0.082 1
1 111 . 14 1 1 A 17 17 GLU CB C 17 29.410 30.409 -0.999 1
1 115 . 14 1 1 A 17 17 GLU C C 17 177.060 177.969 -0.909 1
1 118 . 14 1 1 A 18 18 CYS N N 18 129.116 115.091 14.025 1
1 119 . 14 1 1 A 18 18 CYS H H 18 7.901 8.179 -0.278 1
1 120 . 14 1 1 A 18 18 CYS CA C 18 58.282 59.706 -1.424 1
1 121 . 14 1 1 A 18 18 CYS HA H 18 5.150 4.616 0.534 1
1 122 . 14 1 1 A 18 18 CYS CB C 18 32.401 29.805 2.596 1
1 124 . 14 1 1 A 18 18 CYS C C 18 176.219 175.316 0.903 1
1 126 . 14 1 1 A 19 19 GLY N N 19 113.520 110.110 3.410 1
1 127 . 14 1 1 A 19 19 GLY H H 19 8.182 8.058 0.124 1
1 128 . 14 1 1 A 19 19 GLY CA C 19 46.219 45.179 1.040 1
1 129 . 14 1 1 A 19 19 GLY HA3 H 19 3.689 4.107 -0.418 1
1 130 . 14 1 1 A 19 19 GLY C C 19 173.588 174.344 -0.756 1
1 131 . 14 1 1 A 19 19 GLY HA2 H 19 4.213 4.090 0.123 1
1 132 . 14 1 1 A 20 20 LYS N N 20 122.589 119.610 2.979 1
1 133 . 14 1 1 A 20 20 LYS H H 20 7.851 7.482 0.369 1
1 134 . 14 1 1 A 20 20 LYS CA C 20 58.180 55.565 2.615 1
1 135 . 14 1 1 A 20 20 LYS HA H 20 3.939 4.551 -0.612 1
1 136 . 14 1 1 A 20 20 LYS CB C 20 33.798 34.404 -0.606 1
1 144 . 14 1 1 A 20 20 LYS C C 20 174.180 175.482 -1.302 1
1 149 . 14 1 1 A 21 21 VAL N N 21 117.610 117.852 -0.242 1
1 150 . 14 1 1 A 21 21 VAL H H 21 7.594 8.395 -0.801 1
1 151 . 14 1 1 A 21 21 VAL CA C 21 60.526 59.298 1.228 1
1 152 . 14 1 1 A 21 21 VAL HA H 21 4.679 5.277 -0.598 1
1 153 . 14 1 1 A 21 21 VAL CB C 21 34.022 35.764 -1.742 1
1 163 . 14 1 1 A 21 21 VAL C C 21 174.872 174.395 0.477 1
1 164 . 14 1 1 A 22 22 PHE N N 22 121.976 120.420 1.556 1
1 165 . 14 1 1 A 22 22 PHE H H 22 8.775 8.471 0.304 1
1 166 . 14 1 1 A 22 22 PHE CA C 22 56.821 56.928 -0.107 1
1 167 . 14 1 1 A 22 22 PHE HA H 22 4.800 4.969 -0.169 1
1 168 . 14 1 1 A 22 22 PHE CB C 22 43.204 43.464 -0.260 1
1 180 . 14 1 1 A 22 22 PHE C C 22 175.430 176.058 -0.628 1
1 182 . 14 1 1 A 23 23 SER CA C 23 60.085 60.197 -0.112 1
1 183 . 14 1 1 A 23 23 SER HA H 23 4.775 4.339 0.436 1
1 184 . 14 1 1 A 23 23 SER CB C 23 64.261 63.415 0.846 1
1 186 . 14 1 1 A 23 23 SER C C 23 174.312 174.426 -0.114 1
1 188 . 14 1 1 A 24 24 ARG N N 24 116.908 120.403 -3.495 1
1 189 . 14 1 1 A 24 24 ARG H H 24 7.615 7.867 -0.252 1
1 190 . 14 1 1 A 24 24 ARG CA C 24 54.212 54.523 -0.311 1
1 191 . 14 1 1 A 24 24 ARG HA H 24 4.694 4.939 -0.245 1
1 192 . 14 1 1 A 24 24 ARG CB C 24 33.940 33.368 0.572 1
1 198 . 14 1 1 A 24 24 ARG C C 24 176.291 176.550 -0.259 1
1 202 . 14 1 1 A 25 25 ASN CA C 25 56.082 55.865 0.217 1
1 203 . 14 1 1 A 25 25 ASN HA H 25 3.539 4.152 -0.613 1
1 204 . 14 1 1 A 25 25 ASN CB C 25 38.067 36.887 1.180 1
1 210 . 14 1 1 A 26 26 SER CA C 26 60.712 61.301 -0.589 1
1 211 . 14 1 1 A 26 26 SER HA H 26 4.006 4.192 -0.186 1
1 212 . 14 1 1 A 26 26 SER CB C 26 61.415 62.947 -1.532 1
1 214 . 14 1 1 A 26 26 SER C C 26 176.943 175.038 1.905 1
1 216 . 14 1 1 A 27 27 GLN N N 27 120.570 118.600 1.970 1
1 217 . 14 1 1 A 27 27 GLN H H 27 6.621 7.613 -0.992 1
1 218 . 14 1 1 A 27 27 GLN CA C 27 57.591 57.264 0.327 1
1 219 . 14 1 1 A 27 27 GLN HA H 27 3.978 4.290 -0.312 1
1 220 . 14 1 1 A 27 27 GLN CB C 27 28.835 29.289 -0.454 1
1 227 . 14 1 1 A 27 27 GLN C C 27 178.709 177.878 0.831 1
1 230 . 14 1 1 A 28 28 LEU N N 28 121.828 122.205 -0.377 1
1 231 . 14 1 1 A 28 28 LEU H H 28 6.936 7.652 -0.716 1
1 232 . 14 1 1 A 28 28 LEU CA C 28 57.924 56.881 1.043 1
1 233 . 14 1 1 A 28 28 LEU HA H 28 3.285 2.573 0.712 1
1 234 . 14 1 1 A 28 28 LEU CB C 28 40.174 41.594 -1.420 1
1 246 . 14 1 1 A 28 28 LEU C C 28 177.664 177.985 -0.321 1
1 248 . 14 1 1 A 29 29 SER N N 29 114.464 114.798 -0.334 1
1 249 . 14 1 1 A 29 29 SER H H 29 8.367 8.229 0.138 1
1 250 . 14 1 1 A 29 29 SER CA C 29 61.619 61.468 0.151 1
1 251 . 14 1 1 A 29 29 SER HA H 29 4.166 3.931 0.235 1
1 252 . 14 1 1 A 29 29 SER CB C 29 62.410 62.769 -0.359 1
1 254 . 14 1 1 A 29 29 SER C C 29 177.169 176.897 0.272 1
1 256 . 14 1 1 A 30 30 GLN N N 30 119.104 120.899 -1.795 1
1 257 . 14 1 1 A 30 30 GLN H H 30 7.378 7.875 -0.497 1
1 258 . 14 1 1 A 30 30 GLN CA C 30 58.502 57.775 0.727 1
1 259 . 14 1 1 A 30 30 GLN HA H 30 3.949 4.114 -0.165 1
1 260 . 14 1 1 A 30 30 GLN CB C 30 28.439 28.583 -0.144 1
1 267 . 14 1 1 A 30 30 GLN C C 30 178.325 177.477 0.848 1
1 270 . 14 1 1 A 31 31 HIS N N 31 119.372 121.223 -1.851 1
1 271 . 14 1 1 A 31 31 HIS H H 31 7.619 8.269 -0.650 1
1 272 . 14 1 1 A 31 31 HIS CA C 31 59.042 58.859 0.183 1
1 273 . 14 1 1 A 31 31 HIS HA H 31 4.149 4.190 -0.041 1
1 274 . 14 1 1 A 31 31 HIS CB C 31 28.503 30.156 -1.653 1
1 280 . 14 1 1 A 31 31 HIS C C 31 176.154 177.001 -0.847 1
1 282 . 14 1 1 A 32 32 GLN N N 32 114.990 118.129 -3.139 1
1 283 . 14 1 1 A 32 32 GLN H H 32 8.319 8.338 -0.019 1
1 284 . 14 1 1 A 32 32 GLN CA C 32 59.299 58.813 0.486 1
1 285 . 14 1 1 A 32 32 GLN HA H 32 3.653 3.643 0.010 1
1 286 . 14 1 1 A 32 32 GLN CB C 32 28.260 28.231 0.029 1
1 293 . 14 1 1 A 32 32 GLN C C 32 177.281 178.560 -1.279 1
1 296 . 14 1 1 A 33 33 LYS N N 33 117.343 117.618 -0.275 1
1 297 . 14 1 1 A 33 33 LYS H H 33 7.039 7.634 -0.595 1
1 298 . 14 1 1 A 33 33 LYS CA C 33 58.503 58.832 -0.329 1
1 299 . 14 1 1 A 33 33 LYS HA H 33 4.067 4.052 0.015 1
1 300 . 14 1 1 A 33 33 LYS CB C 33 32.207 31.970 0.237 1
1 308 . 14 1 1 A 33 33 LYS C C 33 178.726 177.685 1.041 1
1 313 . 14 1 1 A 34 34 ILE N N 34 116.207 116.323 -0.116 1
1 314 . 14 1 1 A 34 34 ILE H H 34 7.787 7.731 0.056 1
1 315 . 14 1 1 A 34 34 ILE CA C 34 62.920 63.834 -0.914 1
1 316 . 14 1 1 A 34 34 ILE HA H 34 3.951 3.732 0.219 1
1 317 . 14 1 1 A 34 34 ILE CB C 34 37.707 37.137 0.570 1
1 329 . 14 1 1 A 34 34 ILE C C 34 177.373 177.739 -0.366 1
1 331 . 14 1 1 A 35 35 HIS N N 35 117.836 119.228 -1.392 1
1 332 . 14 1 1 A 35 35 HIS H H 35 7.199 7.874 -0.675 1
1 333 . 14 1 1 A 35 35 HIS CA C 35 55.161 59.643 -4.482 1
1 334 . 14 1 1 A 35 35 HIS HA H 35 4.846 4.265 0.581 1
1 335 . 14 1 1 A 35 35 HIS CB C 35 28.503 30.501 -1.998 1
1 341 . 14 1 1 A 35 35 HIS C C 35 175.779 175.502 0.277 1
1 343 . 14 1 1 A 36 36 THR N N 36 111.873 114.818 -2.945 1
1 344 . 14 1 1 A 36 36 THR H H 36 7.764 7.402 0.362 1
1 345 . 14 1 1 A 36 36 THR CA C 36 62.503 62.987 -0.484 1
1 346 . 14 1 1 A 36 36 THR HA H 36 4.321 4.076 0.245 1
1 347 . 14 1 1 A 36 36 THR CB C 36 69.764 69.247 0.517 1
1 353 . 14 1 1 A 36 36 THR C C 36 175.480 174.974 0.506 1
1 354 . 14 1 1 A 37 37 GLY CA C 37 45.290 46.008 -0.718 1
1 355 . 14 1 1 A 37 37 GLY HA2 H 37 3.948 4.099 -0.151 1
1 356 . 14 1 1 A 38 38 GLU N N 38 120.760 117.003 3.757 1
1 357 . 14 1 1 A 38 38 GLU H H 38 8.217 7.818 0.399 1
1 358 . 14 1 1 A 38 38 GLU CA C 38 56.439 55.343 1.096 1
1 359 . 14 1 1 A 38 38 GLU HA H 38 4.217 4.888 -0.671 1
1 360 . 14 1 1 A 38 38 GLU CB C 38 30.508 32.376 -1.868 1
1 364 . 14 1 1 A 38 38 GLU C C 38 176.214 174.486 1.728 1
1 367 . 14 1 1 A 39 39 LYS N N 39 123.748 121.066 2.682 1
1 368 . 14 1 1 A 39 39 LYS H H 39 8.367 8.673 -0.306 1
1 369 . 14 1 1 A 39 39 LYS CA C 39 54.060 54.801 -0.741 1
1 370 . 14 1 1 A 39 39 LYS HA H 39 4.579 4.913 -0.334 1
1 371 . 14 1 1 A 39 39 LYS CB C 39 32.498 35.403 -2.905 1
1 379 . 14 1 1 A 39 39 LYS C C 39 174.434 173.231 1.203 1
1 384 . 14 1 1 A 40 40 PRO CA C 40 63.176 62.808 0.368 1
1 385 . 14 1 1 A 40 40 PRO HA H 40 4.425 4.660 -0.235 1
1 386 . 14 1 1 A 40 40 PRO CB C 40 32.185 31.410 0.775 1
1 395 . 14 1 1 A 41 41 SER N N 41 116.530 118.652 -2.122 1
1 396 . 14 1 1 A 41 41 SER H H 41 8.478 8.362 0.116 1
1 397 . 14 1 1 A 43 43 PRO CA C 43 63.216 62.647 0.569 1
1 398 . 14 1 1 A 43 43 PRO HA H 43 4.443 4.717 -0.274 1
1 399 . 14 1 1 A 43 43 PRO CB C 43 32.152 31.549 0.603 1
1 408 . 14 1 1 A 45 45 SER CA C 45 58.350 60.639 -2.289 1
1 409 . 14 1 1 A 45 45 SER HA H 45 4.462 4.414 0.048 1
1 410 . 14 1 1 A 45 45 SER CB C 45 63.976 63.347 0.629 1
1 1 . 15 1 1 A 8 8 THR CA C 8 61.947 60.423 1.524 1
1 2 . 15 1 1 A 8 8 THR HA H 8 4.342 4.879 -0.537 1
1 3 . 15 1 1 A 8 8 THR CB C 8 69.725 69.911 -0.186 1
1 9 . 15 1 1 A 9 9 GLY N N 9 110.629 112.424 -1.795 1
1 10 . 15 1 1 A 9 9 GLY H H 9 8.204 8.662 -0.458 1
1 11 . 15 1 1 A 9 9 GLY CA C 9 45.276 46.883 -1.607 1
1 12 . 15 1 1 A 9 9 GLY HA3 H 9 3.987 3.941 0.046 1
1 13 . 15 1 1 A 9 9 GLY HA2 H 9 3.937 3.940 -0.003 1
1 14 . 15 1 1 A 10 10 GLU N N 10 120.559 119.599 0.960 1
1 15 . 15 1 1 A 10 10 GLU H H 10 8.088 7.891 0.197 1
1 16 . 15 1 1 A 10 10 GLU CA C 10 56.354 56.637 -0.283 1
1 17 . 15 1 1 A 10 10 GLU HA H 10 4.215 4.231 -0.016 1
1 18 . 15 1 1 A 10 10 GLU CB C 10 30.414 29.927 0.487 1
1 21 . 15 1 1 A 10 10 GLU C C 10 176.435 175.893 0.542 1
1 24 . 15 1 1 A 11 11 LYS N N 11 123.361 122.865 0.496 1
1 25 . 15 1 1 A 11 11 LYS H H 11 8.424 8.529 -0.105 1
1 26 . 15 1 1 A 11 11 LYS CA C 11 56.048 54.978 1.070 1
1 27 . 15 1 1 A 11 11 LYS HA H 11 4.197 4.482 -0.285 1
1 28 . 15 1 1 A 11 11 LYS CB C 11 32.695 33.178 -0.483 1
1 36 . 15 1 1 A 11 11 LYS C C 11 175.537 175.054 0.483 1
1 41 . 15 1 1 A 12 12 ARG N N 12 120.764 122.043 -1.279 1
1 42 . 15 1 1 A 12 12 ARG H H 12 7.986 7.880 0.106 1
1 43 . 15 1 1 A 12 12 ARG CA C 12 55.218 54.911 0.307 1
1 44 . 15 1 1 A 12 12 ARG HA H 12 4.316 4.736 -0.420 1
1 45 . 15 1 1 A 12 12 ARG CB C 12 32.110 31.026 1.084 1
1 51 . 15 1 1 A 12 12 ARG C C 12 175.043 174.735 0.308 1
1 55 . 15 1 1 A 13 13 TYR N N 13 121.086 125.425 -4.339 1
1 56 . 15 1 1 A 13 13 TYR H H 13 8.420 8.385 0.035 1
1 57 . 15 1 1 A 13 13 TYR CA C 13 57.592 59.099 -1.507 1
1 58 . 15 1 1 A 13 13 TYR HA H 13 4.559 4.715 -0.156 1
1 59 . 15 1 1 A 13 13 TYR CB C 13 38.873 38.450 0.423 1
1 69 . 15 1 1 A 13 13 TYR C C 13 173.957 175.503 -1.546 1
1 71 . 15 1 1 A 14 14 LYS N N 14 125.789 125.343 0.446 1
1 72 . 15 1 1 A 14 14 LYS H H 14 8.570 8.748 -0.178 1
1 73 . 15 1 1 A 14 14 LYS CA C 14 54.913 56.108 -1.195 1
1 74 . 15 1 1 A 14 14 LYS HA H 14 4.971 4.943 0.028 1
1 75 . 15 1 1 A 14 14 LYS CB C 14 35.797 33.771 2.026 1
1 83 . 15 1 1 A 14 14 LYS C C 14 174.933 176.396 -1.463 1
1 88 . 15 1 1 A 15 15 CYS N N 15 127.853 124.955 2.898 1
1 89 . 15 1 1 A 15 15 CYS H H 15 9.319 9.293 0.026 1
1 90 . 15 1 1 A 15 15 CYS CA C 15 59.341 58.793 0.548 1
1 91 . 15 1 1 A 15 15 CYS HA H 15 4.543 4.662 -0.119 1
1 92 . 15 1 1 A 15 15 CYS CB C 15 29.426 27.979 1.447 1
1 94 . 15 1 1 A 15 15 CYS C C 15 176.804 176.132 0.672 1
1 96 . 15 1 1 A 16 16 ASN N N 16 115.775 126.343 -10.568 1
1 97 . 15 1 1 A 16 16 ASN H H 16 9.413 9.017 0.396 1
1 98 . 15 1 1 A 16 16 ASN CA C 16 55.575 55.486 0.089 1
1 99 . 15 1 1 A 16 16 ASN HA H 16 4.489 4.571 -0.082 1
1 100 . 15 1 1 A 16 16 ASN CB C 16 38.399 38.206 0.193 1
1 105 . 15 1 1 A 16 16 ASN C C 16 175.467 177.343 -1.876 1
1 107 . 15 1 1 A 17 17 GLU N N 17 120.746 119.005 1.741 1
1 108 . 15 1 1 A 17 17 GLU H H 17 8.638 7.839 0.799 1
1 109 . 15 1 1 A 17 17 GLU CA C 17 58.455 58.793 -0.338 1
1 110 . 15 1 1 A 17 17 GLU HA H 17 4.176 3.931 0.245 1
1 111 . 15 1 1 A 17 17 GLU CB C 17 29.410 29.488 -0.078 1
1 115 . 15 1 1 A 17 17 GLU C C 17 177.060 178.214 -1.154 1
1 118 . 15 1 1 A 18 18 CYS N N 18 129.116 114.612 14.504 1
1 119 . 15 1 1 A 18 18 CYS H H 18 7.901 7.670 0.231 1
1 120 . 15 1 1 A 18 18 CYS CA C 18 58.282 59.512 -1.230 1
1 121 . 15 1 1 A 18 18 CYS HA H 18 5.150 4.526 0.624 1
1 122 . 15 1 1 A 18 18 CYS CB C 18 32.401 29.520 2.881 1
1 124 . 15 1 1 A 18 18 CYS C C 18 176.219 175.293 0.926 1
1 126 . 15 1 1 A 19 19 GLY N N 19 113.520 110.114 3.406 1
1 127 . 15 1 1 A 19 19 GLY H H 19 8.182 8.009 0.173 1
1 128 . 15 1 1 A 19 19 GLY CA C 19 46.219 45.040 1.179 1
1 129 . 15 1 1 A 19 19 GLY HA3 H 19 3.689 4.103 -0.414 1
1 130 . 15 1 1 A 19 19 GLY C C 19 173.588 174.833 -1.245 1
1 131 . 15 1 1 A 19 19 GLY HA2 H 19 4.213 4.092 0.121 1
1 132 . 15 1 1 A 20 20 LYS N N 20 122.589 120.679 1.910 1
1 133 . 15 1 1 A 20 20 LYS H H 20 7.851 7.586 0.265 1
1 134 . 15 1 1 A 20 20 LYS CA C 20 58.180 56.670 1.510 1
1 135 . 15 1 1 A 20 20 LYS HA H 20 3.939 4.365 -0.426 1
1 136 . 15 1 1 A 20 20 LYS CB C 20 33.798 34.334 -0.536 1
1 144 . 15 1 1 A 20 20 LYS C C 20 174.180 175.498 -1.318 1
1 149 . 15 1 1 A 21 21 VAL N N 21 117.610 117.086 0.524 1
1 150 . 15 1 1 A 21 21 VAL H H 21 7.594 8.222 -0.628 1
1 151 . 15 1 1 A 21 21 VAL CA C 21 60.526 59.625 0.901 1
1 152 . 15 1 1 A 21 21 VAL HA H 21 4.679 5.362 -0.683 1
1 153 . 15 1 1 A 21 21 VAL CB C 21 34.022 35.776 -1.754 1
1 163 . 15 1 1 A 21 21 VAL C C 21 174.872 174.748 0.124 1
1 164 . 15 1 1 A 22 22 PHE N N 22 121.976 120.684 1.292 1
1 165 . 15 1 1 A 22 22 PHE H H 22 8.775 8.643 0.132 1
1 166 . 15 1 1 A 22 22 PHE CA C 22 56.821 56.540 0.281 1
1 167 . 15 1 1 A 22 22 PHE HA H 22 4.800 5.004 -0.204 1
1 168 . 15 1 1 A 22 22 PHE CB C 22 43.204 41.516 1.688 1
1 180 . 15 1 1 A 22 22 PHE C C 22 175.430 175.983 -0.553 1
1 182 . 15 1 1 A 23 23 SER CA C 23 60.085 62.425 -2.340 1
1 183 . 15 1 1 A 23 23 SER HA H 23 4.775 4.272 0.503 1
1 184 . 15 1 1 A 23 23 SER CB C 23 64.261 63.070 1.191 1
1 186 . 15 1 1 A 23 23 SER C C 23 174.312 175.214 -0.902 1
1 188 . 15 1 1 A 24 24 ARG N N 24 116.908 119.356 -2.448 1
1 189 . 15 1 1 A 24 24 ARG H H 24 7.615 8.178 -0.563 1
1 190 . 15 1 1 A 24 24 ARG CA C 24 54.212 54.790 -0.578 1
1 191 . 15 1 1 A 24 24 ARG HA H 24 4.694 4.907 -0.213 1
1 192 . 15 1 1 A 24 24 ARG CB C 24 33.940 32.756 1.184 1
1 198 . 15 1 1 A 24 24 ARG C C 24 176.291 176.412 -0.121 1
1 202 . 15 1 1 A 25 25 ASN CA C 25 56.082 55.745 0.337 1
1 203 . 15 1 1 A 25 25 ASN HA H 25 3.539 3.934 -0.395 1
1 204 . 15 1 1 A 25 25 ASN CB C 25 38.067 36.376 1.691 1
1 210 . 15 1 1 A 26 26 SER CA C 26 60.712 60.820 -0.108 1
1 211 . 15 1 1 A 26 26 SER HA H 26 4.006 4.029 -0.023 1
1 212 . 15 1 1 A 26 26 SER CB C 26 61.415 63.044 -1.629 1
1 214 . 15 1 1 A 26 26 SER C C 26 176.943 175.691 1.252 1
1 216 . 15 1 1 A 27 27 GLN N N 27 120.570 119.504 1.066 1
1 217 . 15 1 1 A 27 27 GLN H H 27 6.621 7.584 -0.963 1
1 218 . 15 1 1 A 27 27 GLN CA C 27 57.591 57.896 -0.305 1
1 219 . 15 1 1 A 27 27 GLN HA H 27 3.978 4.228 -0.250 1
1 220 . 15 1 1 A 27 27 GLN CB C 27 28.835 29.000 -0.165 1
1 227 . 15 1 1 A 27 27 GLN C C 27 178.709 178.054 0.655 1
1 230 . 15 1 1 A 28 28 LEU N N 28 121.828 122.506 -0.678 1
1 231 . 15 1 1 A 28 28 LEU H H 28 6.936 7.727 -0.791 1
1 232 . 15 1 1 A 28 28 LEU CA C 28 57.924 57.283 0.641 1
1 233 . 15 1 1 A 28 28 LEU HA H 28 3.285 2.847 0.438 1
1 234 . 15 1 1 A 28 28 LEU CB C 28 40.174 41.312 -1.138 1
1 246 . 15 1 1 A 28 28 LEU C C 28 177.664 178.180 -0.516 1
1 248 . 15 1 1 A 29 29 SER N N 29 114.464 114.462 0.002 1
1 249 . 15 1 1 A 29 29 SER H H 29 8.367 8.280 0.087 1
1 250 . 15 1 1 A 29 29 SER CA C 29 61.619 61.523 0.096 1
1 251 . 15 1 1 A 29 29 SER HA H 29 4.166 3.932 0.234 1
1 252 . 15 1 1 A 29 29 SER CB C 29 62.410 62.839 -0.429 1
1 254 . 15 1 1 A 29 29 SER C C 29 177.169 177.261 -0.092 1
1 256 . 15 1 1 A 30 30 GLN N N 30 119.104 120.787 -1.683 1
1 257 . 15 1 1 A 30 30 GLN H H 30 7.378 8.110 -0.732 1
1 258 . 15 1 1 A 30 30 GLN CA C 30 58.502 58.121 0.381 1
1 259 . 15 1 1 A 30 30 GLN HA H 30 3.949 4.086 -0.137 1
1 260 . 15 1 1 A 30 30 GLN CB C 30 28.439 29.183 -0.744 1
1 267 . 15 1 1 A 30 30 GLN C C 30 178.325 177.742 0.583 1
1 270 . 15 1 1 A 31 31 HIS N N 31 119.372 121.370 -1.998 1
1 271 . 15 1 1 A 31 31 HIS H H 31 7.619 8.252 -0.633 1
1 272 . 15 1 1 A 31 31 HIS CA C 31 59.042 58.564 0.478 1
1 273 . 15 1 1 A 31 31 HIS HA H 31 4.149 4.146 0.003 1
1 274 . 15 1 1 A 31 31 HIS CB C 31 28.503 29.924 -1.421 1
1 280 . 15 1 1 A 31 31 HIS C C 31 176.154 177.152 -0.998 1
1 282 . 15 1 1 A 32 32 GLN N N 32 114.990 118.982 -3.992 1
1 283 . 15 1 1 A 32 32 GLN H H 32 8.319 8.651 -0.332 1
1 284 . 15 1 1 A 32 32 GLN CA C 32 59.299 58.592 0.707 1
1 285 . 15 1 1 A 32 32 GLN HA H 32 3.653 3.987 -0.334 1
1 286 . 15 1 1 A 32 32 GLN CB C 32 28.260 28.061 0.199 1
1 293 . 15 1 1 A 32 32 GLN C C 32 177.281 177.995 -0.714 1
1 296 . 15 1 1 A 33 33 LYS N N 33 117.343 117.332 0.011 1
1 297 . 15 1 1 A 33 33 LYS H H 33 7.039 7.461 -0.422 1
1 298 . 15 1 1 A 33 33 LYS CA C 33 58.503 58.481 0.022 1
1 299 . 15 1 1 A 33 33 LYS HA H 33 4.067 4.195 -0.128 1
1 300 . 15 1 1 A 33 33 LYS CB C 33 32.207 31.891 0.316 1
1 308 . 15 1 1 A 33 33 LYS C C 33 178.726 177.995 0.731 1
1 313 . 15 1 1 A 34 34 ILE N N 34 116.207 117.177 -0.970 1
1 314 . 15 1 1 A 34 34 ILE H H 34 7.787 7.511 0.276 1
1 315 . 15 1 1 A 34 34 ILE CA C 34 62.920 63.569 -0.649 1
1 316 . 15 1 1 A 34 34 ILE HA H 34 3.951 3.793 0.158 1
1 317 . 15 1 1 A 34 34 ILE CB C 34 37.707 36.940 0.767 1
1 329 . 15 1 1 A 34 34 ILE C C 34 177.373 177.485 -0.112 1
1 331 . 15 1 1 A 35 35 HIS N N 35 117.836 120.520 -2.684 1
1 332 . 15 1 1 A 35 35 HIS H H 35 7.199 7.522 -0.323 1
1 333 . 15 1 1 A 35 35 HIS CA C 35 55.161 59.094 -3.933 1
1 334 . 15 1 1 A 35 35 HIS HA H 35 4.846 4.414 0.432 1
1 335 . 15 1 1 A 35 35 HIS CB C 35 28.503 30.892 -2.389 1
1 341 . 15 1 1 A 35 35 HIS C C 35 175.779 177.731 -1.952 1
1 343 . 15 1 1 A 36 36 THR N N 36 111.873 110.283 1.590 1
1 344 . 15 1 1 A 36 36 THR H H 36 7.764 7.899 -0.135 1
1 345 . 15 1 1 A 36 36 THR CA C 36 62.503 63.233 -0.730 1
1 346 . 15 1 1 A 36 36 THR HA H 36 4.321 4.112 0.209 1
1 347 . 15 1 1 A 36 36 THR CB C 36 69.764 69.935 -0.171 1
1 353 . 15 1 1 A 36 36 THR C C 36 175.480 174.690 0.790 1
1 354 . 15 1 1 A 37 37 GLY CA C 37 45.290 45.325 -0.035 1
1 355 . 15 1 1 A 37 37 GLY HA2 H 37 3.948 3.903 0.045 1
1 356 . 15 1 1 A 38 38 GLU N N 38 120.760 116.481 4.279 1
1 357 . 15 1 1 A 38 38 GLU H H 38 8.217 8.289 -0.072 1
1 358 . 15 1 1 A 38 38 GLU CA C 38 56.439 54.745 1.694 1
1 359 . 15 1 1 A 38 38 GLU HA H 38 4.217 5.244 -1.027 1
1 360 . 15 1 1 A 38 38 GLU CB C 38 30.508 33.612 -3.104 1
1 364 . 15 1 1 A 38 38 GLU C C 38 176.214 174.340 1.874 1
1 367 . 15 1 1 A 39 39 LYS N N 39 123.748 118.252 5.496 1
1 368 . 15 1 1 A 39 39 LYS H H 39 8.367 8.811 -0.444 1
1 369 . 15 1 1 A 39 39 LYS CA C 39 54.060 54.110 -0.050 1
1 370 . 15 1 1 A 39 39 LYS HA H 39 4.579 4.940 -0.361 1
1 371 . 15 1 1 A 39 39 LYS CB C 39 32.498 36.049 -3.551 1
1 379 . 15 1 1 A 39 39 LYS C C 39 174.434 173.532 0.902 1
1 384 . 15 1 1 A 40 40 PRO CA C 40 63.176 62.647 0.529 1
1 385 . 15 1 1 A 40 40 PRO HA H 40 4.425 4.551 -0.126 1
1 386 . 15 1 1 A 40 40 PRO CB C 40 32.185 31.993 0.192 1
1 395 . 15 1 1 A 41 41 SER N N 41 116.530 117.290 -0.760 1
1 396 . 15 1 1 A 41 41 SER H H 41 8.478 8.435 0.043 1
1 397 . 15 1 1 A 43 43 PRO CA C 43 63.216 65.077 -1.861 1
1 398 . 15 1 1 A 43 43 PRO HA H 43 4.443 4.252 0.191 1
1 399 . 15 1 1 A 43 43 PRO CB C 43 32.152 31.189 0.963 1
1 408 . 15 1 1 A 45 45 SER CA C 45 58.350 59.079 -0.729 1
1 409 . 15 1 1 A 45 45 SER HA H 45 4.462 4.198 0.264 1
1 410 . 15 1 1 A 45 45 SER CB C 45 63.976 61.668 2.308 1
1 1 . 16 1 1 A 8 8 THR CA C 8 61.947 63.012 -1.065 1
1 2 . 16 1 1 A 8 8 THR HA H 8 4.342 4.343 -0.001 1
1 3 . 16 1 1 A 8 8 THR CB C 8 69.725 68.829 0.896 1
1 9 . 16 1 1 A 9 9 GLY N N 9 110.629 113.017 -2.388 1
1 10 . 16 1 1 A 9 9 GLY H H 9 8.204 8.495 -0.291 1
1 11 . 16 1 1 A 9 9 GLY CA C 9 45.276 45.969 -0.693 1
1 12 . 16 1 1 A 9 9 GLY HA3 H 9 3.987 4.211 -0.224 1
1 13 . 16 1 1 A 9 9 GLY HA2 H 9 3.937 4.209 -0.272 1
1 14 . 16 1 1 A 10 10 GLU N N 10 120.559 122.804 -2.245 1
1 15 . 16 1 1 A 10 10 GLU H H 10 8.088 8.639 -0.551 1
1 16 . 16 1 1 A 10 10 GLU CA C 10 56.354 55.611 0.743 1
1 17 . 16 1 1 A 10 10 GLU HA H 10 4.215 4.910 -0.695 1
1 18 . 16 1 1 A 10 10 GLU CB C 10 30.414 32.980 -2.566 1
1 21 . 16 1 1 A 10 10 GLU C C 10 176.435 174.385 2.050 1
1 24 . 16 1 1 A 11 11 LYS N N 11 123.361 127.909 -4.548 1
1 25 . 16 1 1 A 11 11 LYS H H 11 8.424 8.464 -0.040 1
1 26 . 16 1 1 A 11 11 LYS CA C 11 56.048 55.670 0.378 1
1 27 . 16 1 1 A 11 11 LYS HA H 11 4.197 4.274 -0.077 1
1 28 . 16 1 1 A 11 11 LYS CB C 11 32.695 31.449 1.246 1
1 36 . 16 1 1 A 11 11 LYS C C 11 175.537 174.411 1.126 1
1 41 . 16 1 1 A 12 12 ARG N N 12 120.764 126.076 -5.312 1
1 42 . 16 1 1 A 12 12 ARG H H 12 7.986 8.459 -0.473 1
1 43 . 16 1 1 A 12 12 ARG CA C 12 55.218 54.872 0.346 1
1 44 . 16 1 1 A 12 12 ARG HA H 12 4.316 4.587 -0.271 1
1 45 . 16 1 1 A 12 12 ARG CB C 12 32.110 31.198 0.912 1
1 51 . 16 1 1 A 12 12 ARG C C 12 175.043 174.929 0.114 1
1 55 . 16 1 1 A 13 13 TYR N N 13 121.086 125.177 -4.091 1
1 56 . 16 1 1 A 13 13 TYR H H 13 8.420 8.467 -0.047 1
1 57 . 16 1 1 A 13 13 TYR CA C 13 57.592 58.363 -0.771 1
1 58 . 16 1 1 A 13 13 TYR HA H 13 4.559 4.737 -0.178 1
1 59 . 16 1 1 A 13 13 TYR CB C 13 38.873 38.079 0.794 1
1 69 . 16 1 1 A 13 13 TYR C C 13 173.957 175.120 -1.163 1
1 71 . 16 1 1 A 14 14 LYS N N 14 125.789 125.934 -0.145 1
1 72 . 16 1 1 A 14 14 LYS H H 14 8.570 8.803 -0.233 1
1 73 . 16 1 1 A 14 14 LYS CA C 14 54.913 55.163 -0.250 1
1 74 . 16 1 1 A 14 14 LYS HA H 14 4.971 5.219 -0.248 1
1 75 . 16 1 1 A 14 14 LYS CB C 14 35.797 34.190 1.607 1
1 83 . 16 1 1 A 14 14 LYS C C 14 174.933 176.157 -1.224 1
1 88 . 16 1 1 A 15 15 CYS N N 15 127.853 125.559 2.294 1
1 89 . 16 1 1 A 15 15 CYS H H 15 9.319 8.992 0.327 1
1 90 . 16 1 1 A 15 15 CYS CA C 15 59.341 59.399 -0.058 1
1 91 . 16 1 1 A 15 15 CYS HA H 15 4.543 4.574 -0.031 1
1 92 . 16 1 1 A 15 15 CYS CB C 15 29.426 28.413 1.013 1
1 94 . 16 1 1 A 15 15 CYS C C 15 176.804 175.570 1.234 1
1 96 . 16 1 1 A 16 16 ASN N N 16 115.775 126.248 -10.473 1
1 97 . 16 1 1 A 16 16 ASN H H 16 9.413 8.567 0.846 1
1 98 . 16 1 1 A 16 16 ASN CA C 16 55.575 55.779 -0.204 1
1 99 . 16 1 1 A 16 16 ASN HA H 16 4.489 4.392 0.097 1
1 100 . 16 1 1 A 16 16 ASN CB C 16 38.399 38.616 -0.217 1
1 105 . 16 1 1 A 16 16 ASN C C 16 175.467 176.813 -1.346 1
1 107 . 16 1 1 A 17 17 GLU N N 17 120.746 118.414 2.332 1
1 108 . 16 1 1 A 17 17 GLU H H 17 8.638 7.891 0.747 1
1 109 . 16 1 1 A 17 17 GLU CA C 17 58.455 58.734 -0.279 1
1 110 . 16 1 1 A 17 17 GLU HA H 17 4.176 3.936 0.240 1
1 111 . 16 1 1 A 17 17 GLU CB C 17 29.410 29.528 -0.118 1
1 115 . 16 1 1 A 17 17 GLU C C 17 177.060 178.204 -1.144 1
1 118 . 16 1 1 A 18 18 CYS N N 18 129.116 114.599 14.517 1
1 119 . 16 1 1 A 18 18 CYS H H 18 7.901 7.791 0.110 1
1 120 . 16 1 1 A 18 18 CYS CA C 18 58.282 59.796 -1.514 1
1 121 . 16 1 1 A 18 18 CYS HA H 18 5.150 4.513 0.637 1
1 122 . 16 1 1 A 18 18 CYS CB C 18 32.401 29.432 2.969 1
1 124 . 16 1 1 A 18 18 CYS C C 18 176.219 175.145 1.074 1
1 126 . 16 1 1 A 19 19 GLY N N 19 113.520 110.208 3.312 1
1 127 . 16 1 1 A 19 19 GLY H H 19 8.182 7.883 0.299 1
1 128 . 16 1 1 A 19 19 GLY CA C 19 46.219 45.049 1.170 1
1 129 . 16 1 1 A 19 19 GLY HA3 H 19 3.689 4.096 -0.407 1
1 130 . 16 1 1 A 19 19 GLY C C 19 173.588 174.438 -0.850 1
1 131 . 16 1 1 A 19 19 GLY HA2 H 19 4.213 4.081 0.132 1
1 132 . 16 1 1 A 20 20 LYS N N 20 122.589 120.174 2.415 1
1 133 . 16 1 1 A 20 20 LYS H H 20 7.851 7.458 0.393 1
1 134 . 16 1 1 A 20 20 LYS CA C 20 58.180 56.129 2.051 1
1 135 . 16 1 1 A 20 20 LYS HA H 20 3.939 4.439 -0.500 1
1 136 . 16 1 1 A 20 20 LYS CB C 20 33.798 34.274 -0.476 1
1 144 . 16 1 1 A 20 20 LYS C C 20 174.180 175.285 -1.105 1
1 149 . 16 1 1 A 21 21 VAL N N 21 117.610 117.378 0.232 1
1 150 . 16 1 1 A 21 21 VAL H H 21 7.594 8.258 -0.664 1
1 151 . 16 1 1 A 21 21 VAL CA C 21 60.526 59.370 1.156 1
1 152 . 16 1 1 A 21 21 VAL HA H 21 4.679 5.219 -0.540 1
1 153 . 16 1 1 A 21 21 VAL CB C 21 34.022 35.979 -1.957 1
1 163 . 16 1 1 A 21 21 VAL C C 21 174.872 174.568 0.304 1
1 164 . 16 1 1 A 22 22 PHE N N 22 121.976 120.493 1.483 1
1 165 . 16 1 1 A 22 22 PHE H H 22 8.775 8.940 -0.165 1
1 166 . 16 1 1 A 22 22 PHE CA C 22 56.821 56.628 0.193 1
1 167 . 16 1 1 A 22 22 PHE HA H 22 4.800 4.961 -0.161 1
1 168 . 16 1 1 A 22 22 PHE CB C 22 43.204 42.451 0.753 1
1 180 . 16 1 1 A 22 22 PHE C C 22 175.430 176.190 -0.760 1
1 182 . 16 1 1 A 23 23 SER CA C 23 60.085 61.254 -1.169 1
1 183 . 16 1 1 A 23 23 SER HA H 23 4.775 4.294 0.481 1
1 184 . 16 1 1 A 23 23 SER CB C 23 64.261 62.971 1.290 1
1 186 . 16 1 1 A 23 23 SER C C 23 174.312 174.722 -0.410 1
1 188 . 16 1 1 A 24 24 ARG N N 24 116.908 120.482 -3.574 1
1 189 . 16 1 1 A 24 24 ARG H H 24 7.615 8.117 -0.502 1
1 190 . 16 1 1 A 24 24 ARG CA C 24 54.212 54.521 -0.309 1
1 191 . 16 1 1 A 24 24 ARG HA H 24 4.694 4.935 -0.241 1
1 192 . 16 1 1 A 24 24 ARG CB C 24 33.940 33.363 0.577 1
1 198 . 16 1 1 A 24 24 ARG C C 24 176.291 176.600 -0.309 1
1 202 . 16 1 1 A 25 25 ASN CA C 25 56.082 55.699 0.383 1
1 203 . 16 1 1 A 25 25 ASN HA H 25 3.539 4.191 -0.652 1
1 204 . 16 1 1 A 25 25 ASN CB C 25 38.067 37.007 1.060 1
1 210 . 16 1 1 A 26 26 SER CA C 26 60.712 61.302 -0.590 1
1 211 . 16 1 1 A 26 26 SER HA H 26 4.006 4.131 -0.125 1
1 212 . 16 1 1 A 26 26 SER CB C 26 61.415 63.038 -1.623 1
1 214 . 16 1 1 A 26 26 SER C C 26 176.943 175.021 1.922 1
1 216 . 16 1 1 A 27 27 GLN N N 27 120.570 118.576 1.994 1
1 217 . 16 1 1 A 27 27 GLN H H 27 6.621 7.370 -0.749 1
1 218 . 16 1 1 A 27 27 GLN CA C 27 57.591 57.209 0.382 1
1 219 . 16 1 1 A 27 27 GLN HA H 27 3.978 4.299 -0.321 1
1 220 . 16 1 1 A 27 27 GLN CB C 27 28.835 29.288 -0.453 1
1 227 . 16 1 1 A 27 27 GLN C C 27 178.709 177.958 0.751 1
1 230 . 16 1 1 A 28 28 LEU N N 28 121.828 122.245 -0.417 1
1 231 . 16 1 1 A 28 28 LEU H H 28 6.936 7.363 -0.427 1
1 232 . 16 1 1 A 28 28 LEU CA C 28 57.924 56.859 1.065 1
1 233 . 16 1 1 A 28 28 LEU HA H 28 3.285 2.419 0.866 1
1 234 . 16 1 1 A 28 28 LEU CB C 28 40.174 41.533 -1.359 1
1 246 . 16 1 1 A 28 28 LEU C C 28 177.664 178.055 -0.391 1
1 248 . 16 1 1 A 29 29 SER N N 29 114.464 114.583 -0.119 1
1 249 . 16 1 1 A 29 29 SER H H 29 8.367 8.227 0.140 1
1 250 . 16 1 1 A 29 29 SER CA C 29 61.619 61.510 0.109 1
1 251 . 16 1 1 A 29 29 SER HA H 29 4.166 4.027 0.139 1
1 252 . 16 1 1 A 29 29 SER CB C 29 62.410 62.807 -0.397 1
1 254 . 16 1 1 A 29 29 SER C C 29 177.169 177.049 0.120 1
1 256 . 16 1 1 A 30 30 GLN N N 30 119.104 120.797 -1.693 1
1 257 . 16 1 1 A 30 30 GLN H H 30 7.378 8.145 -0.767 1
1 258 . 16 1 1 A 30 30 GLN CA C 30 58.502 58.115 0.387 1
1 259 . 16 1 1 A 30 30 GLN HA H 30 3.949 4.053 -0.104 1
1 260 . 16 1 1 A 30 30 GLN CB C 30 28.439 29.148 -0.709 1
1 267 . 16 1 1 A 30 30 GLN C C 30 178.325 177.674 0.651 1
1 270 . 16 1 1 A 31 31 HIS N N 31 119.372 121.248 -1.876 1
1 271 . 16 1 1 A 31 31 HIS H H 31 7.619 8.257 -0.638 1
1 272 . 16 1 1 A 31 31 HIS CA C 31 59.042 59.131 -0.089 1
1 273 . 16 1 1 A 31 31 HIS HA H 31 4.149 4.181 -0.032 1
1 274 . 16 1 1 A 31 31 HIS CB C 31 28.503 30.122 -1.619 1
1 280 . 16 1 1 A 31 31 HIS C C 31 176.154 177.271 -1.117 1
1 282 . 16 1 1 A 32 32 GLN N N 32 114.990 118.803 -3.813 1
1 283 . 16 1 1 A 32 32 GLN H H 32 8.319 8.801 -0.482 1
1 284 . 16 1 1 A 32 32 GLN CA C 32 59.299 58.793 0.506 1
1 285 . 16 1 1 A 32 32 GLN HA H 32 3.653 4.037 -0.384 1
1 286 . 16 1 1 A 32 32 GLN CB C 32 28.260 28.475 -0.215 1
1 293 . 16 1 1 A 32 32 GLN C C 32 177.281 177.985 -0.704 1
1 296 . 16 1 1 A 33 33 LYS N N 33 117.343 117.377 -0.034 1
1 297 . 16 1 1 A 33 33 LYS H H 33 7.039 7.563 -0.524 1
1 298 . 16 1 1 A 33 33 LYS CA C 33 58.503 58.826 -0.323 1
1 299 . 16 1 1 A 33 33 LYS HA H 33 4.067 4.062 0.005 1
1 300 . 16 1 1 A 33 33 LYS CB C 33 32.207 31.751 0.456 1
1 308 . 16 1 1 A 33 33 LYS C C 33 178.726 177.874 0.852 1
1 313 . 16 1 1 A 34 34 ILE N N 34 116.207 116.796 -0.589 1
1 314 . 16 1 1 A 34 34 ILE H H 34 7.787 7.796 -0.009 1
1 315 . 16 1 1 A 34 34 ILE CA C 34 62.920 63.546 -0.626 1
1 316 . 16 1 1 A 34 34 ILE HA H 34 3.951 3.767 0.184 1
1 317 . 16 1 1 A 34 34 ILE CB C 34 37.707 36.926 0.781 1
1 329 . 16 1 1 A 34 34 ILE C C 34 177.373 177.540 -0.167 1
1 331 . 16 1 1 A 35 35 HIS N N 35 117.836 120.269 -2.433 1
1 332 . 16 1 1 A 35 35 HIS H H 35 7.199 7.465 -0.266 1
1 333 . 16 1 1 A 35 35 HIS CA C 35 55.161 59.290 -4.129 1
1 334 . 16 1 1 A 35 35 HIS HA H 35 4.846 4.419 0.427 1
1 335 . 16 1 1 A 35 35 HIS CB C 35 28.503 30.800 -2.297 1
1 341 . 16 1 1 A 35 35 HIS C C 35 175.779 176.887 -1.108 1
1 343 . 16 1 1 A 36 36 THR N N 36 111.873 110.696 1.177 1
1 344 . 16 1 1 A 36 36 THR H H 36 7.764 7.916 -0.152 1
1 345 . 16 1 1 A 36 36 THR CA C 36 62.503 62.852 -0.349 1
1 346 . 16 1 1 A 36 36 THR HA H 36 4.321 4.309 0.012 1
1 347 . 16 1 1 A 36 36 THR CB C 36 69.764 69.382 0.382 1
1 353 . 16 1 1 A 36 36 THR C C 36 175.480 174.663 0.817 1
1 354 . 16 1 1 A 37 37 GLY CA C 37 45.290 44.730 0.560 1
1 355 . 16 1 1 A 37 37 GLY HA2 H 37 3.948 4.034 -0.086 1
1 356 . 16 1 1 A 38 38 GLU N N 38 120.760 122.360 -1.600 1
1 357 . 16 1 1 A 38 38 GLU H H 38 8.217 8.694 -0.477 1
1 358 . 16 1 1 A 38 38 GLU CA C 38 56.439 55.222 1.217 1
1 359 . 16 1 1 A 38 38 GLU HA H 38 4.217 5.091 -0.874 1
1 360 . 16 1 1 A 38 38 GLU CB C 38 30.508 32.279 -1.771 1
1 364 . 16 1 1 A 38 38 GLU C C 38 176.214 174.753 1.461 1
1 367 . 16 1 1 A 39 39 LYS N N 39 123.748 126.222 -2.474 1
1 368 . 16 1 1 A 39 39 LYS H H 39 8.367 8.416 -0.049 1
1 369 . 16 1 1 A 39 39 LYS CA C 39 54.060 53.127 0.933 1
1 370 . 16 1 1 A 39 39 LYS HA H 39 4.579 4.652 -0.073 1
1 371 . 16 1 1 A 39 39 LYS CB C 39 32.498 36.635 -4.137 1
1 379 . 16 1 1 A 39 39 LYS C C 39 174.434 175.658 -1.224 1
1 384 . 16 1 1 A 40 40 PRO CA C 40 63.176 63.593 -0.417 1
1 385 . 16 1 1 A 40 40 PRO HA H 40 4.425 4.518 -0.093 1
1 386 . 16 1 1 A 40 40 PRO CB C 40 32.185 32.051 0.134 1
1 395 . 16 1 1 A 41 41 SER N N 41 116.530 115.965 0.565 1
1 396 . 16 1 1 A 41 41 SER H H 41 8.478 7.806 0.672 1
1 397 . 16 1 1 A 43 43 PRO CA C 43 63.216 62.530 0.686 1
1 398 . 16 1 1 A 43 43 PRO HA H 43 4.443 4.786 -0.343 1
1 399 . 16 1 1 A 43 43 PRO CB C 43 32.152 30.220 1.932 1
1 408 . 16 1 1 A 45 45 SER CA C 45 58.350 57.661 0.689 1
1 409 . 16 1 1 A 45 45 SER HA H 45 4.462 5.036 -0.574 1
1 410 . 16 1 1 A 45 45 SER CB C 45 63.976 65.394 -1.418 1
1 1 . 17 1 1 A 8 8 THR CA C 8 61.947 63.544 -1.597 1
1 2 . 17 1 1 A 8 8 THR HA H 8 4.342 4.578 -0.236 1
1 3 . 17 1 1 A 8 8 THR CB C 8 69.725 71.435 -1.710 1
1 9 . 17 1 1 A 9 9 GLY N N 9 110.629 107.265 3.364 1
1 10 . 17 1 1 A 9 9 GLY H H 9 8.204 8.412 -0.208 1
1 11 . 17 1 1 A 9 9 GLY CA C 9 45.276 46.839 -1.563 1
1 12 . 17 1 1 A 9 9 GLY HA3 H 9 3.987 3.895 0.092 1
1 13 . 17 1 1 A 9 9 GLY HA2 H 9 3.937 3.891 0.046 1
1 14 . 17 1 1 A 10 10 GLU N N 10 120.559 125.748 -5.189 1
1 15 . 17 1 1 A 10 10 GLU H H 10 8.088 8.251 -0.163 1
1 16 . 17 1 1 A 10 10 GLU CA C 10 56.354 59.417 -3.063 1
1 17 . 17 1 1 A 10 10 GLU HA H 10 4.215 3.942 0.273 1
1 18 . 17 1 1 A 10 10 GLU CB C 10 30.414 29.472 0.942 1
1 21 . 17 1 1 A 10 10 GLU C C 10 176.435 177.427 -0.992 1
1 24 . 17 1 1 A 11 11 LYS N N 11 123.361 118.772 4.589 1
1 25 . 17 1 1 A 11 11 LYS H H 11 8.424 7.634 0.790 1
1 26 . 17 1 1 A 11 11 LYS CA C 11 56.048 54.700 1.348 1
1 27 . 17 1 1 A 11 11 LYS HA H 11 4.197 4.321 -0.124 1
1 28 . 17 1 1 A 11 11 LYS CB C 11 32.695 32.328 0.367 1
1 36 . 17 1 1 A 11 11 LYS C C 11 175.537 175.025 0.512 1
1 41 . 17 1 1 A 12 12 ARG N N 12 120.764 125.547 -4.783 1
1 42 . 17 1 1 A 12 12 ARG H H 12 7.986 8.198 -0.212 1
1 43 . 17 1 1 A 12 12 ARG CA C 12 55.218 54.471 0.747 1
1 44 . 17 1 1 A 12 12 ARG HA H 12 4.316 4.850 -0.534 1
1 45 . 17 1 1 A 12 12 ARG CB C 12 32.110 31.348 0.762 1
1 51 . 17 1 1 A 12 12 ARG C C 12 175.043 174.827 0.216 1
1 55 . 17 1 1 A 13 13 TYR N N 13 121.086 124.985 -3.899 1
1 56 . 17 1 1 A 13 13 TYR H H 13 8.420 8.346 0.074 1
1 57 . 17 1 1 A 13 13 TYR CA C 13 57.592 58.870 -1.278 1
1 58 . 17 1 1 A 13 13 TYR HA H 13 4.559 4.739 -0.180 1
1 59 . 17 1 1 A 13 13 TYR CB C 13 38.873 38.336 0.537 1
1 69 . 17 1 1 A 13 13 TYR C C 13 173.957 175.297 -1.340 1
1 71 . 17 1 1 A 14 14 LYS N N 14 125.789 125.838 -0.049 1
1 72 . 17 1 1 A 14 14 LYS H H 14 8.570 8.774 -0.204 1
1 73 . 17 1 1 A 14 14 LYS CA C 14 54.913 54.998 -0.085 1
1 74 . 17 1 1 A 14 14 LYS HA H 14 4.971 5.243 -0.272 1
1 75 . 17 1 1 A 14 14 LYS CB C 14 35.797 34.251 1.546 1
1 83 . 17 1 1 A 14 14 LYS C C 14 174.933 176.428 -1.495 1
1 88 . 17 1 1 A 15 15 CYS N N 15 127.853 125.312 2.541 1
1 89 . 17 1 1 A 15 15 CYS H H 15 9.319 8.871 0.448 1
1 90 . 17 1 1 A 15 15 CYS CA C 15 59.341 60.314 -0.973 1
1 91 . 17 1 1 A 15 15 CYS HA H 15 4.543 4.568 -0.025 1
1 92 . 17 1 1 A 15 15 CYS CB C 15 29.426 29.047 0.379 1
1 94 . 17 1 1 A 15 15 CYS C C 15 176.804 176.495 0.309 1
1 96 . 17 1 1 A 16 16 ASN N N 16 115.775 127.471 -11.696 1
1 97 . 17 1 1 A 16 16 ASN H H 16 9.413 9.436 -0.023 1
1 98 . 17 1 1 A 16 16 ASN CA C 16 55.575 53.008 2.567 1
1 99 . 17 1 1 A 16 16 ASN HA H 16 4.489 5.004 -0.515 1
1 100 . 17 1 1 A 16 16 ASN CB C 16 38.399 38.407 -0.008 1
1 105 . 17 1 1 A 16 16 ASN C C 16 175.467 176.397 -0.930 1
1 107 . 17 1 1 A 17 17 GLU N N 17 120.746 119.013 1.733 1
1 108 . 17 1 1 A 17 17 GLU H H 17 8.638 7.966 0.672 1
1 109 . 17 1 1 A 17 17 GLU CA C 17 58.455 57.698 0.757 1
1 110 . 17 1 1 A 17 17 GLU HA H 17 4.176 4.341 -0.165 1
1 111 . 17 1 1 A 17 17 GLU CB C 17 29.410 30.658 -1.248 1
1 115 . 17 1 1 A 17 17 GLU C C 17 177.060 177.881 -0.821 1
1 118 . 17 1 1 A 18 18 CYS N N 18 129.116 114.507 14.609 1
1 119 . 17 1 1 A 18 18 CYS H H 18 7.901 7.894 0.007 1
1 120 . 17 1 1 A 18 18 CYS CA C 18 58.282 59.764 -1.482 1
1 121 . 17 1 1 A 18 18 CYS HA H 18 5.150 4.508 0.642 1
1 122 . 17 1 1 A 18 18 CYS CB C 18 32.401 29.259 3.142 1
1 124 . 17 1 1 A 18 18 CYS C C 18 176.219 175.225 0.994 1
1 126 . 17 1 1 A 19 19 GLY N N 19 113.520 110.037 3.483 1
1 127 . 17 1 1 A 19 19 GLY H H 19 8.182 7.995 0.187 1
1 128 . 17 1 1 A 19 19 GLY CA C 19 46.219 44.968 1.251 1
1 129 . 17 1 1 A 19 19 GLY HA3 H 19 3.689 4.095 -0.406 1
1 130 . 17 1 1 A 19 19 GLY C C 19 173.588 174.371 -0.783 1
1 131 . 17 1 1 A 19 19 GLY HA2 H 19 4.213 4.081 0.132 1
1 132 . 17 1 1 A 20 20 LYS N N 20 122.589 120.176 2.413 1
1 133 . 17 1 1 A 20 20 LYS H H 20 7.851 7.458 0.393 1
1 134 . 17 1 1 A 20 20 LYS CA C 20 58.180 56.129 2.051 1
1 135 . 17 1 1 A 20 20 LYS HA H 20 3.939 4.447 -0.508 1
1 136 . 17 1 1 A 20 20 LYS CB C 20 33.798 34.292 -0.494 1
1 144 . 17 1 1 A 20 20 LYS C C 20 174.180 175.405 -1.225 1
1 149 . 17 1 1 A 21 21 VAL N N 21 117.610 117.173 0.437 1
1 150 . 17 1 1 A 21 21 VAL H H 21 7.594 8.273 -0.679 1
1 151 . 17 1 1 A 21 21 VAL CA C 21 60.526 59.270 1.256 1
1 152 . 17 1 1 A 21 21 VAL HA H 21 4.679 5.347 -0.668 1
1 153 . 17 1 1 A 21 21 VAL CB C 21 34.022 35.889 -1.867 1
1 163 . 17 1 1 A 21 21 VAL C C 21 174.872 174.511 0.361 1
1 164 . 17 1 1 A 22 22 PHE N N 22 121.976 120.308 1.668 1
1 165 . 17 1 1 A 22 22 PHE H H 22 8.775 8.582 0.193 1
1 166 . 17 1 1 A 22 22 PHE CA C 22 56.821 57.062 -0.241 1
1 167 . 17 1 1 A 22 22 PHE HA H 22 4.800 4.965 -0.165 1
1 168 . 17 1 1 A 22 22 PHE CB C 22 43.204 42.505 0.699 1
1 180 . 17 1 1 A 22 22 PHE C C 22 175.430 175.860 -0.430 1
1 182 . 17 1 1 A 23 23 SER CA C 23 60.085 61.642 -1.557 1
1 183 . 17 1 1 A 23 23 SER HA H 23 4.775 4.410 0.365 1
1 184 . 17 1 1 A 23 23 SER CB C 23 64.261 63.153 1.108 1
1 186 . 17 1 1 A 23 23 SER C C 23 174.312 173.626 0.686 1
1 188 . 17 1 1 A 24 24 ARG N N 24 116.908 118.183 -1.275 1
1 189 . 17 1 1 A 24 24 ARG H H 24 7.615 8.135 -0.520 1
1 190 . 17 1 1 A 24 24 ARG CA C 24 54.212 54.439 -0.227 1
1 191 . 17 1 1 A 24 24 ARG HA H 24 4.694 4.976 -0.282 1
1 192 . 17 1 1 A 24 24 ARG CB C 24 33.940 33.228 0.712 1
1 198 . 17 1 1 A 24 24 ARG C C 24 176.291 176.145 0.146 1
1 202 . 17 1 1 A 25 25 ASN CA C 25 56.082 56.211 -0.129 1
1 203 . 17 1 1 A 25 25 ASN HA H 25 3.539 3.741 -0.202 1
1 204 . 17 1 1 A 25 25 ASN CB C 25 38.067 37.642 0.425 1
1 210 . 17 1 1 A 26 26 SER CA C 26 60.712 60.786 -0.074 1
1 211 . 17 1 1 A 26 26 SER HA H 26 4.006 4.007 -0.001 1
1 212 . 17 1 1 A 26 26 SER CB C 26 61.415 62.996 -1.581 1
1 214 . 17 1 1 A 26 26 SER C C 26 176.943 175.597 1.346 1
1 216 . 17 1 1 A 27 27 GLN N N 27 120.570 119.246 1.324 1
1 217 . 17 1 1 A 27 27 GLN H H 27 6.621 7.377 -0.756 1
1 218 . 17 1 1 A 27 27 GLN CA C 27 57.591 57.353 0.238 1
1 219 . 17 1 1 A 27 27 GLN HA H 27 3.978 4.268 -0.290 1
1 220 . 17 1 1 A 27 27 GLN CB C 27 28.835 28.980 -0.145 1
1 227 . 17 1 1 A 27 27 GLN C C 27 178.709 178.001 0.708 1
1 230 . 17 1 1 A 28 28 LEU N N 28 121.828 122.279 -0.451 1
1 231 . 17 1 1 A 28 28 LEU H H 28 6.936 7.834 -0.898 1
1 232 . 17 1 1 A 28 28 LEU CA C 28 57.924 56.939 0.985 1
1 233 . 17 1 1 A 28 28 LEU HA H 28 3.285 2.692 0.593 1
1 234 . 17 1 1 A 28 28 LEU CB C 28 40.174 41.318 -1.144 1
1 246 . 17 1 1 A 28 28 LEU C C 28 177.664 178.085 -0.421 1
1 248 . 17 1 1 A 29 29 SER N N 29 114.464 114.571 -0.107 1
1 249 . 17 1 1 A 29 29 SER H H 29 8.367 8.285 0.082 1
1 250 . 17 1 1 A 29 29 SER CA C 29 61.619 61.501 0.118 1
1 251 . 17 1 1 A 29 29 SER HA H 29 4.166 3.922 0.244 1
1 252 . 17 1 1 A 29 29 SER CB C 29 62.410 62.795 -0.385 1
1 254 . 17 1 1 A 29 29 SER C C 29 177.169 176.761 0.408 1
1 256 . 17 1 1 A 30 30 GLN N N 30 119.104 118.550 0.554 1
1 257 . 17 1 1 A 30 30 GLN H H 30 7.378 8.390 -1.012 1
1 258 . 17 1 1 A 30 30 GLN CA C 30 58.502 57.607 0.895 1
1 259 . 17 1 1 A 30 30 GLN HA H 30 3.949 4.133 -0.184 1
1 260 . 17 1 1 A 30 30 GLN CB C 30 28.439 27.125 1.314 1
1 267 . 17 1 1 A 30 30 GLN C C 30 178.325 177.619 0.706 1
1 270 . 17 1 1 A 31 31 HIS N N 31 119.372 119.880 -0.508 1
1 271 . 17 1 1 A 31 31 HIS H H 31 7.619 8.281 -0.662 1
1 272 . 17 1 1 A 31 31 HIS CA C 31 59.042 59.007 0.035 1
1 273 . 17 1 1 A 31 31 HIS HA H 31 4.149 4.204 -0.055 1
1 274 . 17 1 1 A 31 31 HIS CB C 31 28.503 30.132 -1.629 1
1 280 . 17 1 1 A 31 31 HIS C C 31 176.154 176.970 -0.816 1
1 282 . 17 1 1 A 32 32 GLN N N 32 114.990 118.239 -3.249 1
1 283 . 17 1 1 A 32 32 GLN H H 32 8.319 8.490 -0.171 1
1 284 . 17 1 1 A 32 32 GLN CA C 32 59.299 58.915 0.384 1
1 285 . 17 1 1 A 32 32 GLN HA H 32 3.653 3.801 -0.148 1
1 286 . 17 1 1 A 32 32 GLN CB C 32 28.260 28.302 -0.042 1
1 293 . 17 1 1 A 32 32 GLN C C 32 177.281 178.449 -1.168 1
1 296 . 17 1 1 A 33 33 LYS N N 33 117.343 117.615 -0.272 1
1 297 . 17 1 1 A 33 33 LYS H H 33 7.039 7.839 -0.800 1
1 298 . 17 1 1 A 33 33 LYS CA C 33 58.503 58.703 -0.200 1
1 299 . 17 1 1 A 33 33 LYS HA H 33 4.067 4.040 0.027 1
1 300 . 17 1 1 A 33 33 LYS CB C 33 32.207 31.512 0.695 1
1 308 . 17 1 1 A 33 33 LYS C C 33 178.726 177.602 1.124 1
1 313 . 17 1 1 A 34 34 ILE N N 34 116.207 116.790 -0.583 1
1 314 . 17 1 1 A 34 34 ILE H H 34 7.787 7.619 0.168 1
1 315 . 17 1 1 A 34 34 ILE CA C 34 62.920 64.202 -1.282 1
1 316 . 17 1 1 A 34 34 ILE HA H 34 3.951 3.722 0.229 1
1 317 . 17 1 1 A 34 34 ILE CB C 34 37.707 37.030 0.677 1
1 329 . 17 1 1 A 34 34 ILE C C 34 177.373 177.587 -0.214 1
1 331 . 17 1 1 A 35 35 HIS N N 35 117.836 119.756 -1.920 1
1 332 . 17 1 1 A 35 35 HIS H H 35 7.199 7.756 -0.557 1
1 333 . 17 1 1 A 35 35 HIS CA C 35 55.161 58.261 -3.100 1
1 334 . 17 1 1 A 35 35 HIS HA H 35 4.846 4.393 0.453 1
1 335 . 17 1 1 A 35 35 HIS CB C 35 28.503 31.235 -2.732 1
1 341 . 17 1 1 A 35 35 HIS C C 35 175.779 175.373 0.406 1
1 343 . 17 1 1 A 36 36 THR N N 36 111.873 112.528 -0.655 1
1 344 . 17 1 1 A 36 36 THR H H 36 7.764 7.601 0.163 1
1 345 . 17 1 1 A 36 36 THR CA C 36 62.503 59.876 2.627 1
1 346 . 17 1 1 A 36 36 THR HA H 36 4.321 4.606 -0.285 1
1 347 . 17 1 1 A 36 36 THR CB C 36 69.764 70.787 -1.023 1
1 353 . 17 1 1 A 36 36 THR C C 36 175.480 174.103 1.377 1
1 354 . 17 1 1 A 37 37 GLY CA C 37 45.290 45.461 -0.171 1
1 355 . 17 1 1 A 37 37 GLY HA2 H 37 3.948 3.939 0.009 1
1 356 . 17 1 1 A 38 38 GLU N N 38 120.760 121.720 -0.960 1
1 357 . 17 1 1 A 38 38 GLU H H 38 8.217 7.932 0.285 1
1 358 . 17 1 1 A 38 38 GLU CA C 38 56.439 55.544 0.895 1
1 359 . 17 1 1 A 38 38 GLU HA H 38 4.217 4.403 -0.186 1
1 360 . 17 1 1 A 38 38 GLU CB C 38 30.508 28.303 2.205 1
1 364 . 17 1 1 A 38 38 GLU C C 38 176.214 175.108 1.106 1
1 367 . 17 1 1 A 39 39 LYS N N 39 123.748 117.512 6.236 1
1 368 . 17 1 1 A 39 39 LYS H H 39 8.367 7.485 0.882 1
1 369 . 17 1 1 A 39 39 LYS CA C 39 54.060 54.617 -0.557 1
1 370 . 17 1 1 A 39 39 LYS HA H 39 4.579 4.635 -0.056 1
1 371 . 17 1 1 A 39 39 LYS CB C 39 32.498 34.462 -1.964 1
1 379 . 17 1 1 A 39 39 LYS C C 39 174.434 173.362 1.072 1
1 384 . 17 1 1 A 40 40 PRO CA C 40 63.176 62.637 0.539 1
1 385 . 17 1 1 A 40 40 PRO HA H 40 4.425 4.696 -0.271 1
1 386 . 17 1 1 A 40 40 PRO CB C 40 32.185 31.511 0.674 1
1 395 . 17 1 1 A 41 41 SER N N 41 116.530 120.096 -3.566 1
1 396 . 17 1 1 A 41 41 SER H H 41 8.478 8.414 0.064 1
1 397 . 17 1 1 A 43 43 PRO CA C 43 63.216 62.782 0.434 1
1 398 . 17 1 1 A 43 43 PRO HA H 43 4.443 4.649 -0.206 1
1 399 . 17 1 1 A 43 43 PRO CB C 43 32.152 32.678 -0.526 1
1 408 . 17 1 1 A 45 45 SER CA C 45 58.350 57.010 1.340 1
1 409 . 17 1 1 A 45 45 SER HA H 45 4.462 4.988 -0.526 1
1 410 . 17 1 1 A 45 45 SER CB C 45 63.976 65.439 -1.463 1
1 1 . 18 1 1 A 8 8 THR CA C 8 61.947 63.175 -1.228 1
1 2 . 18 1 1 A 8 8 THR HA H 8 4.342 4.167 0.175 1
1 3 . 18 1 1 A 8 8 THR CB C 8 69.725 69.338 0.387 1
1 9 . 18 1 1 A 9 9 GLY N N 9 110.629 115.778 -5.149 1
1 10 . 18 1 1 A 9 9 GLY H H 9 8.204 8.682 -0.478 1
1 11 . 18 1 1 A 9 9 GLY CA C 9 45.276 45.255 0.021 1
1 12 . 18 1 1 A 9 9 GLY HA3 H 9 3.987 4.056 -0.069 1
1 13 . 18 1 1 A 9 9 GLY HA2 H 9 3.937 4.054 -0.117 1
1 14 . 18 1 1 A 10 10 GLU N N 10 120.559 118.508 2.051 1
1 15 . 18 1 1 A 10 10 GLU H H 10 8.088 7.818 0.270 1
1 16 . 18 1 1 A 10 10 GLU CA C 10 56.354 56.077 0.277 1
1 17 . 18 1 1 A 10 10 GLU HA H 10 4.215 4.608 -0.393 1
1 18 . 18 1 1 A 10 10 GLU CB C 10 30.414 32.549 -2.135 1
1 21 . 18 1 1 A 10 10 GLU C C 10 176.435 174.522 1.913 1
1 24 . 18 1 1 A 11 11 LYS N N 11 123.361 127.043 -3.682 1
1 25 . 18 1 1 A 11 11 LYS H H 11 8.424 8.748 -0.324 1
1 26 . 18 1 1 A 11 11 LYS CA C 11 56.048 54.912 1.136 1
1 27 . 18 1 1 A 11 11 LYS HA H 11 4.197 4.636 -0.439 1
1 28 . 18 1 1 A 11 11 LYS CB C 11 32.695 31.984 0.711 1
1 36 . 18 1 1 A 11 11 LYS C C 11 175.537 175.260 0.277 1
1 41 . 18 1 1 A 12 12 ARG N N 12 120.764 123.059 -2.295 1
1 42 . 18 1 1 A 12 12 ARG H H 12 7.986 8.038 -0.052 1
1 43 . 18 1 1 A 12 12 ARG CA C 12 55.218 55.411 -0.193 1
1 44 . 18 1 1 A 12 12 ARG HA H 12 4.316 4.438 -0.122 1
1 45 . 18 1 1 A 12 12 ARG CB C 12 32.110 30.985 1.125 1
1 51 . 18 1 1 A 12 12 ARG C C 12 175.043 175.218 -0.175 1
1 55 . 18 1 1 A 13 13 TYR N N 13 121.086 122.403 -1.317 1
1 56 . 18 1 1 A 13 13 TYR H H 13 8.420 8.178 0.242 1
1 57 . 18 1 1 A 13 13 TYR CA C 13 57.592 56.923 0.669 1
1 58 . 18 1 1 A 13 13 TYR HA H 13 4.559 4.936 -0.377 1
1 59 . 18 1 1 A 13 13 TYR CB C 13 38.873 38.086 0.787 1
1 69 . 18 1 1 A 13 13 TYR C C 13 173.957 174.983 -1.026 1
1 71 . 18 1 1 A 14 14 LYS N N 14 125.789 125.997 -0.208 1
1 72 . 18 1 1 A 14 14 LYS H H 14 8.570 8.750 -0.180 1
1 73 . 18 1 1 A 14 14 LYS CA C 14 54.913 56.054 -1.141 1
1 74 . 18 1 1 A 14 14 LYS HA H 14 4.971 5.034 -0.063 1
1 75 . 18 1 1 A 14 14 LYS CB C 14 35.797 33.586 2.211 1
1 83 . 18 1 1 A 14 14 LYS C C 14 174.933 176.303 -1.370 1
1 88 . 18 1 1 A 15 15 CYS N N 15 127.853 125.545 2.308 1
1 89 . 18 1 1 A 15 15 CYS H H 15 9.319 9.203 0.116 1
1 90 . 18 1 1 A 15 15 CYS CA C 15 59.341 59.044 0.297 1
1 91 . 18 1 1 A 15 15 CYS HA H 15 4.543 4.608 -0.065 1
1 92 . 18 1 1 A 15 15 CYS CB C 15 29.426 27.504 1.922 1
1 94 . 18 1 1 A 15 15 CYS C C 15 176.804 175.147 1.657 1
1 96 . 18 1 1 A 16 16 ASN N N 16 115.775 125.904 -10.129 1
1 97 . 18 1 1 A 16 16 ASN H H 16 9.413 8.379 1.034 1
1 98 . 18 1 1 A 16 16 ASN CA C 16 55.575 55.796 -0.221 1
1 99 . 18 1 1 A 16 16 ASN HA H 16 4.489 4.354 0.135 1
1 100 . 18 1 1 A 16 16 ASN CB C 16 38.399 38.554 -0.155 1
1 105 . 18 1 1 A 16 16 ASN C C 16 175.467 176.760 -1.293 1
1 107 . 18 1 1 A 17 17 GLU N N 17 120.746 118.321 2.425 1
1 108 . 18 1 1 A 17 17 GLU H H 17 8.638 7.920 0.718 1
1 109 . 18 1 1 A 17 17 GLU CA C 17 58.455 58.620 -0.165 1
1 110 . 18 1 1 A 17 17 GLU HA H 17 4.176 3.924 0.252 1
1 111 . 18 1 1 A 17 17 GLU CB C 17 29.410 29.426 -0.016 1
1 115 . 18 1 1 A 17 17 GLU C C 17 177.060 177.892 -0.832 1
1 118 . 18 1 1 A 18 18 CYS N N 18 129.116 114.775 14.341 1
1 119 . 18 1 1 A 18 18 CYS H H 18 7.901 7.817 0.084 1
1 120 . 18 1 1 A 18 18 CYS CA C 18 58.282 59.635 -1.353 1
1 121 . 18 1 1 A 18 18 CYS HA H 18 5.150 4.616 0.534 1
1 122 . 18 1 1 A 18 18 CYS CB C 18 32.401 29.792 2.609 1
1 124 . 18 1 1 A 18 18 CYS C C 18 176.219 175.354 0.865 1
1 126 . 18 1 1 A 19 19 GLY N N 19 113.520 109.702 3.818 1
1 127 . 18 1 1 A 19 19 GLY H H 19 8.182 7.953 0.229 1
1 128 . 18 1 1 A 19 19 GLY CA C 19 46.219 45.125 1.094 1
1 129 . 18 1 1 A 19 19 GLY HA3 H 19 3.689 4.054 -0.365 1
1 130 . 18 1 1 A 19 19 GLY C C 19 173.588 174.748 -1.160 1
1 131 . 18 1 1 A 19 19 GLY HA2 H 19 4.213 4.043 0.170 1
1 132 . 18 1 1 A 20 20 LYS N N 20 122.589 120.929 1.660 1
1 133 . 18 1 1 A 20 20 LYS H H 20 7.851 7.563 0.288 1
1 134 . 18 1 1 A 20 20 LYS CA C 20 58.180 56.739 1.441 1
1 135 . 18 1 1 A 20 20 LYS HA H 20 3.939 4.245 -0.306 1
1 136 . 18 1 1 A 20 20 LYS CB C 20 33.798 34.051 -0.253 1
1 144 . 18 1 1 A 20 20 LYS C C 20 174.180 175.513 -1.333 1
1 149 . 18 1 1 A 21 21 VAL N N 21 117.610 117.099 0.511 1
1 150 . 18 1 1 A 21 21 VAL H H 21 7.594 8.110 -0.516 1
1 151 . 18 1 1 A 21 21 VAL CA C 21 60.526 59.312 1.214 1
1 152 . 18 1 1 A 21 21 VAL HA H 21 4.679 5.410 -0.731 1
1 153 . 18 1 1 A 21 21 VAL CB C 21 34.022 36.004 -1.982 1
1 163 . 18 1 1 A 21 21 VAL C C 21 174.872 174.326 0.546 1
1 164 . 18 1 1 A 22 22 PHE N N 22 121.976 120.165 1.811 1
1 165 . 18 1 1 A 22 22 PHE H H 22 8.775 8.513 0.262 1
1 166 . 18 1 1 A 22 22 PHE CA C 22 56.821 56.933 -0.112 1
1 167 . 18 1 1 A 22 22 PHE HA H 22 4.800 4.884 -0.084 1
1 168 . 18 1 1 A 22 22 PHE CB C 22 43.204 43.005 0.199 1
1 180 . 18 1 1 A 22 22 PHE C C 22 175.430 175.721 -0.291 1
1 182 . 18 1 1 A 23 23 SER CA C 23 60.085 61.400 -1.315 1
1 183 . 18 1 1 A 23 23 SER HA H 23 4.775 4.331 0.444 1
1 184 . 18 1 1 A 23 23 SER CB C 23 64.261 63.407 0.854 1
1 186 . 18 1 1 A 23 23 SER C C 23 174.312 174.935 -0.623 1
1 188 . 18 1 1 A 24 24 ARG N N 24 116.908 120.214 -3.306 1
1 189 . 18 1 1 A 24 24 ARG H H 24 7.615 8.033 -0.418 1
1 190 . 18 1 1 A 24 24 ARG CA C 24 54.212 55.331 -1.119 1
1 191 . 18 1 1 A 24 24 ARG HA H 24 4.694 4.931 -0.237 1
1 192 . 18 1 1 A 24 24 ARG CB C 24 33.940 31.940 2.000 1
1 198 . 18 1 1 A 24 24 ARG C C 24 176.291 177.051 -0.760 1
1 202 . 18 1 1 A 25 25 ASN CA C 25 56.082 56.186 -0.104 1
1 203 . 18 1 1 A 25 25 ASN HA H 25 3.539 4.112 -0.573 1
1 204 . 18 1 1 A 25 25 ASN CB C 25 38.067 37.546 0.521 1
1 210 . 18 1 1 A 26 26 SER CA C 26 60.712 61.133 -0.421 1
1 211 . 18 1 1 A 26 26 SER HA H 26 4.006 4.149 -0.143 1
1 212 . 18 1 1 A 26 26 SER CB C 26 61.415 63.037 -1.622 1
1 214 . 18 1 1 A 26 26 SER C C 26 176.943 174.865 2.078 1
1 216 . 18 1 1 A 27 27 GLN N N 27 120.570 118.515 2.055 1
1 217 . 18 1 1 A 27 27 GLN H H 27 6.621 7.810 -1.189 1
1 218 . 18 1 1 A 27 27 GLN CA C 27 57.591 57.409 0.182 1
1 219 . 18 1 1 A 27 27 GLN HA H 27 3.978 4.318 -0.340 1
1 220 . 18 1 1 A 27 27 GLN CB C 27 28.835 29.334 -0.499 1
1 227 . 18 1 1 A 27 27 GLN C C 27 178.709 177.976 0.733 1
1 230 . 18 1 1 A 28 28 LEU N N 28 121.828 122.278 -0.450 1
1 231 . 18 1 1 A 28 28 LEU H H 28 6.936 7.610 -0.674 1
1 232 . 18 1 1 A 28 28 LEU CA C 28 57.924 56.697 1.227 1
1 233 . 18 1 1 A 28 28 LEU HA H 28 3.285 2.573 0.712 1
1 234 . 18 1 1 A 28 28 LEU CB C 28 40.174 41.822 -1.648 1
1 246 . 18 1 1 A 28 28 LEU C C 28 177.664 178.034 -0.370 1
1 248 . 18 1 1 A 29 29 SER N N 29 114.464 114.504 -0.040 1
1 249 . 18 1 1 A 29 29 SER H H 29 8.367 8.185 0.182 1
1 250 . 18 1 1 A 29 29 SER CA C 29 61.619 61.512 0.107 1
1 251 . 18 1 1 A 29 29 SER HA H 29 4.166 3.956 0.210 1
1 252 . 18 1 1 A 29 29 SER CB C 29 62.410 62.729 -0.319 1
1 254 . 18 1 1 A 29 29 SER C C 29 177.169 176.828 0.341 1
1 256 . 18 1 1 A 30 30 GLN N N 30 119.104 118.441 0.663 1
1 257 . 18 1 1 A 30 30 GLN H H 30 7.378 8.407 -1.029 1
1 258 . 18 1 1 A 30 30 GLN CA C 30 58.502 57.663 0.839 1
1 259 . 18 1 1 A 30 30 GLN HA H 30 3.949 4.143 -0.194 1
1 260 . 18 1 1 A 30 30 GLN CB C 30 28.439 27.263 1.176 1
1 267 . 18 1 1 A 30 30 GLN C C 30 178.325 177.582 0.743 1
1 270 . 18 1 1 A 31 31 HIS N N 31 119.372 120.133 -0.761 1
1 271 . 18 1 1 A 31 31 HIS H H 31 7.619 8.040 -0.421 1
1 272 . 18 1 1 A 31 31 HIS CA C 31 59.042 59.136 -0.094 1
1 273 . 18 1 1 A 31 31 HIS HA H 31 4.149 4.186 -0.037 1
1 274 . 18 1 1 A 31 31 HIS CB C 31 28.503 30.062 -1.559 1
1 280 . 18 1 1 A 31 31 HIS C C 31 176.154 177.089 -0.935 1
1 282 . 18 1 1 A 32 32 GLN N N 32 114.990 118.423 -3.433 1
1 283 . 18 1 1 A 32 32 GLN H H 32 8.319 8.317 0.002 1
1 284 . 18 1 1 A 32 32 GLN CA C 32 59.299 59.176 0.123 1
1 285 . 18 1 1 A 32 32 GLN HA H 32 3.653 3.833 -0.180 1
1 286 . 18 1 1 A 32 32 GLN CB C 32 28.260 28.418 -0.158 1
1 293 . 18 1 1 A 32 32 GLN C C 32 177.281 178.528 -1.247 1
1 296 . 18 1 1 A 33 33 LYS N N 33 117.343 117.771 -0.428 1
1 297 . 18 1 1 A 33 33 LYS H H 33 7.039 7.881 -0.842 1
1 298 . 18 1 1 A 33 33 LYS CA C 33 58.503 58.734 -0.231 1
1 299 . 18 1 1 A 33 33 LYS HA H 33 4.067 4.047 0.020 1
1 300 . 18 1 1 A 33 33 LYS CB C 33 32.207 31.498 0.709 1
1 308 . 18 1 1 A 33 33 LYS C C 33 178.726 177.554 1.172 1
1 313 . 18 1 1 A 34 34 ILE N N 34 116.207 116.816 -0.609 1
1 314 . 18 1 1 A 34 34 ILE H H 34 7.787 7.475 0.312 1
1 315 . 18 1 1 A 34 34 ILE CA C 34 62.920 64.146 -1.226 1
1 316 . 18 1 1 A 34 34 ILE HA H 34 3.951 3.740 0.211 1
1 317 . 18 1 1 A 34 34 ILE CB C 34 37.707 37.056 0.651 1
1 329 . 18 1 1 A 34 34 ILE C C 34 177.373 176.568 0.805 1
1 331 . 18 1 1 A 35 35 HIS N N 35 117.836 119.684 -1.848 1
1 332 . 18 1 1 A 35 35 HIS H H 35 7.199 7.867 -0.668 1
1 333 . 18 1 1 A 35 35 HIS CA C 35 55.161 55.731 -0.570 1
1 334 . 18 1 1 A 35 35 HIS HA H 35 4.846 4.643 0.203 1
1 335 . 18 1 1 A 35 35 HIS CB C 35 28.503 29.222 -0.719 1
1 341 . 18 1 1 A 35 35 HIS C C 35 175.779 174.673 1.106 1
1 343 . 18 1 1 A 36 36 THR N N 36 111.873 110.678 1.195 1
1 344 . 18 1 1 A 36 36 THR H H 36 7.764 7.425 0.339 1
1 345 . 18 1 1 A 36 36 THR CA C 36 62.503 60.653 1.850 1
1 346 . 18 1 1 A 36 36 THR HA H 36 4.321 4.355 -0.034 1
1 347 . 18 1 1 A 36 36 THR CB C 36 69.764 70.298 -0.534 1
1 353 . 18 1 1 A 36 36 THR C C 36 175.480 174.836 0.644 1
1 354 . 18 1 1 A 37 37 GLY CA C 37 45.290 44.883 0.407 1
1 355 . 18 1 1 A 37 37 GLY HA2 H 37 3.948 4.032 -0.084 1
1 356 . 18 1 1 A 38 38 GLU N N 38 120.760 123.853 -3.093 1
1 357 . 18 1 1 A 38 38 GLU H H 38 8.217 8.048 0.169 1
1 358 . 18 1 1 A 38 38 GLU CA C 38 56.439 56.067 0.372 1
1 359 . 18 1 1 A 38 38 GLU HA H 38 4.217 4.789 -0.572 1
1 360 . 18 1 1 A 38 38 GLU CB C 38 30.508 32.831 -2.323 1
1 364 . 18 1 1 A 38 38 GLU C C 38 176.214 174.512 1.702 1
1 367 . 18 1 1 A 39 39 LYS N N 39 123.748 124.323 -0.575 1
1 368 . 18 1 1 A 39 39 LYS H H 39 8.367 8.473 -0.106 1
1 369 . 18 1 1 A 39 39 LYS CA C 39 54.060 54.238 -0.178 1
1 370 . 18 1 1 A 39 39 LYS HA H 39 4.579 4.828 -0.249 1
1 371 . 18 1 1 A 39 39 LYS CB C 39 32.498 33.181 -0.683 1
1 379 . 18 1 1 A 39 39 LYS C C 39 174.434 176.389 -1.955 1
1 384 . 18 1 1 A 40 40 PRO CA C 40 63.176 65.319 -2.143 1
1 385 . 18 1 1 A 40 40 PRO HA H 40 4.425 4.408 0.017 1
1 386 . 18 1 1 A 40 40 PRO CB C 40 32.185 31.670 0.515 1
1 395 . 18 1 1 A 41 41 SER N N 41 116.530 114.303 2.227 1
1 396 . 18 1 1 A 41 41 SER H H 41 8.478 8.083 0.395 1
1 397 . 18 1 1 A 43 43 PRO CA C 43 63.216 62.758 0.458 1
1 398 . 18 1 1 A 43 43 PRO HA H 43 4.443 4.656 -0.213 1
1 399 . 18 1 1 A 43 43 PRO CB C 43 32.152 31.630 0.522 1
1 408 . 18 1 1 A 45 45 SER CA C 45 58.350 57.550 0.800 1
1 409 . 18 1 1 A 45 45 SER HA H 45 4.462 4.526 -0.064 1
1 410 . 18 1 1 A 45 45 SER CB C 45 63.976 63.074 0.902 1
1 1 . 19 1 1 A 8 8 THR CA C 8 61.947 62.883 -0.936 1
1 2 . 19 1 1 A 8 8 THR HA H 8 4.342 4.410 -0.068 1
1 3 . 19 1 1 A 8 8 THR CB C 8 69.725 68.906 0.819 1
1 9 . 19 1 1 A 9 9 GLY N N 9 110.629 114.688 -4.059 1
1 10 . 19 1 1 A 9 9 GLY H H 9 8.204 8.299 -0.095 1
1 11 . 19 1 1 A 9 9 GLY CA C 9 45.276 46.195 -0.919 1
1 12 . 19 1 1 A 9 9 GLY HA3 H 9 3.987 4.189 -0.202 1
1 13 . 19 1 1 A 9 9 GLY HA2 H 9 3.937 4.184 -0.247 1
1 14 . 19 1 1 A 10 10 GLU N N 10 120.559 124.336 -3.777 1
1 15 . 19 1 1 A 10 10 GLU H H 10 8.088 8.843 -0.755 1
1 16 . 19 1 1 A 10 10 GLU CA C 10 56.354 54.806 1.548 1
1 17 . 19 1 1 A 10 10 GLU HA H 10 4.215 4.957 -0.742 1
1 18 . 19 1 1 A 10 10 GLU CB C 10 30.414 33.062 -2.648 1
1 21 . 19 1 1 A 10 10 GLU C C 10 176.435 175.895 0.540 1
1 24 . 19 1 1 A 11 11 LYS N N 11 123.361 123.888 -0.527 1
1 25 . 19 1 1 A 11 11 LYS H H 11 8.424 8.531 -0.107 1
1 26 . 19 1 1 A 11 11 LYS CA C 11 56.048 56.181 -0.133 1
1 27 . 19 1 1 A 11 11 LYS HA H 11 4.197 4.408 -0.211 1
1 28 . 19 1 1 A 11 11 LYS CB C 11 32.695 32.846 -0.151 1
1 36 . 19 1 1 A 11 11 LYS C C 11 175.537 176.115 -0.578 1
1 41 . 19 1 1 A 12 12 ARG N N 12 120.764 123.770 -3.006 1
1 42 . 19 1 1 A 12 12 ARG H H 12 7.986 8.405 -0.419 1
1 43 . 19 1 1 A 12 12 ARG CA C 12 55.218 55.295 -0.077 1
1 44 . 19 1 1 A 12 12 ARG HA H 12 4.316 4.327 -0.011 1
1 45 . 19 1 1 A 12 12 ARG CB C 12 32.110 31.059 1.051 1
1 51 . 19 1 1 A 12 12 ARG C C 12 175.043 175.122 -0.079 1
1 55 . 19 1 1 A 13 13 TYR N N 13 121.086 125.131 -4.045 1
1 56 . 19 1 1 A 13 13 TYR H H 13 8.420 8.150 0.270 1
1 57 . 19 1 1 A 13 13 TYR CA C 13 57.592 58.437 -0.845 1
1 58 . 19 1 1 A 13 13 TYR HA H 13 4.559 4.707 -0.148 1
1 59 . 19 1 1 A 13 13 TYR CB C 13 38.873 38.000 0.873 1
1 69 . 19 1 1 A 13 13 TYR C C 13 173.957 175.123 -1.166 1
1 71 . 19 1 1 A 14 14 LYS N N 14 125.789 125.902 -0.113 1
1 72 . 19 1 1 A 14 14 LYS H H 14 8.570 8.348 0.222 1
1 73 . 19 1 1 A 14 14 LYS CA C 14 54.913 55.320 -0.407 1
1 74 . 19 1 1 A 14 14 LYS HA H 14 4.971 5.238 -0.267 1
1 75 . 19 1 1 A 14 14 LYS CB C 14 35.797 34.021 1.776 1
1 83 . 19 1 1 A 14 14 LYS C C 14 174.933 176.012 -1.079 1
1 88 . 19 1 1 A 15 15 CYS N N 15 127.853 125.695 2.158 1
1 89 . 19 1 1 A 15 15 CYS H H 15 9.319 9.072 0.247 1
1 90 . 19 1 1 A 15 15 CYS CA C 15 59.341 58.422 0.919 1
1 91 . 19 1 1 A 15 15 CYS HA H 15 4.543 4.593 -0.050 1
1 92 . 19 1 1 A 15 15 CYS CB C 15 29.426 27.110 2.316 1
1 94 . 19 1 1 A 15 15 CYS C C 15 176.804 175.417 1.387 1
1 96 . 19 1 1 A 16 16 ASN N N 16 115.775 125.628 -9.853 1
1 97 . 19 1 1 A 16 16 ASN H H 16 9.413 8.747 0.666 1
1 98 . 19 1 1 A 16 16 ASN CA C 16 55.575 55.698 -0.123 1
1 99 . 19 1 1 A 16 16 ASN HA H 16 4.489 4.421 0.068 1
1 100 . 19 1 1 A 16 16 ASN CB C 16 38.399 37.564 0.835 1
1 105 . 19 1 1 A 16 16 ASN C C 16 175.467 177.142 -1.675 1
1 107 . 19 1 1 A 17 17 GLU N N 17 120.746 119.222 1.524 1
1 108 . 19 1 1 A 17 17 GLU H H 17 8.638 8.355 0.283 1
1 109 . 19 1 1 A 17 17 GLU CA C 17 58.455 58.694 -0.239 1
1 110 . 19 1 1 A 17 17 GLU HA H 17 4.176 3.910 0.266 1
1 111 . 19 1 1 A 17 17 GLU CB C 17 29.410 28.800 0.610 1
1 115 . 19 1 1 A 17 17 GLU C C 17 177.060 178.450 -1.390 1
1 118 . 19 1 1 A 18 18 CYS N N 18 129.116 114.779 14.337 1
1 119 . 19 1 1 A 18 18 CYS H H 18 7.901 7.700 0.201 1
1 120 . 19 1 1 A 18 18 CYS CA C 18 58.282 59.651 -1.369 1
1 121 . 19 1 1 A 18 18 CYS HA H 18 5.150 4.445 0.705 1
1 122 . 19 1 1 A 18 18 CYS CB C 18 32.401 29.330 3.071 1
1 124 . 19 1 1 A 18 18 CYS C C 18 176.219 175.176 1.043 1
1 126 . 19 1 1 A 19 19 GLY N N 19 113.520 110.270 3.250 1
1 127 . 19 1 1 A 19 19 GLY H H 19 8.182 8.401 -0.219 1
1 128 . 19 1 1 A 19 19 GLY CA C 19 46.219 45.182 1.037 1
1 129 . 19 1 1 A 19 19 GLY HA3 H 19 3.689 4.066 -0.377 1
1 130 . 19 1 1 A 19 19 GLY C C 19 173.588 174.310 -0.722 1
1 131 . 19 1 1 A 19 19 GLY HA2 H 19 4.213 4.052 0.161 1
1 132 . 19 1 1 A 20 20 LYS N N 20 122.589 119.559 3.030 1
1 133 . 19 1 1 A 20 20 LYS H H 20 7.851 7.919 -0.068 1
1 134 . 19 1 1 A 20 20 LYS CA C 20 58.180 55.512 2.668 1
1 135 . 19 1 1 A 20 20 LYS HA H 20 3.939 4.563 -0.624 1
1 136 . 19 1 1 A 20 20 LYS CB C 20 33.798 34.304 -0.506 1
1 144 . 19 1 1 A 20 20 LYS C C 20 174.180 175.346 -1.166 1
1 149 . 19 1 1 A 21 21 VAL N N 21 117.610 117.868 -0.258 1
1 150 . 19 1 1 A 21 21 VAL H H 21 7.594 8.402 -0.808 1
1 151 . 19 1 1 A 21 21 VAL CA C 21 60.526 59.205 1.321 1
1 152 . 19 1 1 A 21 21 VAL HA H 21 4.679 5.248 -0.569 1
1 153 . 19 1 1 A 21 21 VAL CB C 21 34.022 35.842 -1.820 1
1 163 . 19 1 1 A 21 21 VAL C C 21 174.872 174.272 0.600 1
1 164 . 19 1 1 A 22 22 PHE N N 22 121.976 119.935 2.041 1
1 165 . 19 1 1 A 22 22 PHE H H 22 8.775 8.824 -0.049 1
1 166 . 19 1 1 A 22 22 PHE CA C 22 56.821 56.614 0.207 1
1 167 . 19 1 1 A 22 22 PHE HA H 22 4.800 4.941 -0.141 1
1 168 . 19 1 1 A 22 22 PHE CB C 22 43.204 43.439 -0.235 1
1 180 . 19 1 1 A 22 22 PHE C C 22 175.430 175.508 -0.078 1
1 182 . 19 1 1 A 23 23 SER CA C 23 60.085 61.354 -1.269 1
1 183 . 19 1 1 A 23 23 SER HA H 23 4.775 4.363 0.412 1
1 184 . 19 1 1 A 23 23 SER CB C 23 64.261 63.514 0.747 1
1 186 . 19 1 1 A 23 23 SER C C 23 174.312 173.539 0.773 1
1 188 . 19 1 1 A 24 24 ARG N N 24 116.908 118.115 -1.207 1
1 189 . 19 1 1 A 24 24 ARG H H 24 7.615 7.981 -0.366 1
1 190 . 19 1 1 A 24 24 ARG CA C 24 54.212 54.439 -0.227 1
1 191 . 19 1 1 A 24 24 ARG HA H 24 4.694 5.025 -0.331 1
1 192 . 19 1 1 A 24 24 ARG CB C 24 33.940 33.358 0.582 1
1 198 . 19 1 1 A 24 24 ARG C C 24 176.291 176.766 -0.475 1
1 202 . 19 1 1 A 25 25 ASN CA C 25 56.082 56.242 -0.160 1
1 203 . 19 1 1 A 25 25 ASN HA H 25 3.539 4.236 -0.697 1
1 204 . 19 1 1 A 25 25 ASN CB C 25 38.067 37.829 0.238 1
1 210 . 19 1 1 A 26 26 SER CA C 26 60.712 61.174 -0.462 1
1 211 . 19 1 1 A 26 26 SER HA H 26 4.006 4.199 -0.193 1
1 212 . 19 1 1 A 26 26 SER CB C 26 61.415 63.055 -1.640 1
1 214 . 19 1 1 A 26 26 SER C C 26 176.943 174.902 2.041 1
1 216 . 19 1 1 A 27 27 GLN N N 27 120.570 118.180 2.390 1
1 217 . 19 1 1 A 27 27 GLN H H 27 6.621 7.708 -1.087 1
1 218 . 19 1 1 A 27 27 GLN CA C 27 57.591 57.016 0.575 1
1 219 . 19 1 1 A 27 27 GLN HA H 27 3.978 4.368 -0.390 1
1 220 . 19 1 1 A 27 27 GLN CB C 27 28.835 29.164 -0.329 1
1 227 . 19 1 1 A 27 27 GLN C C 27 178.709 177.830 0.879 1
1 230 . 19 1 1 A 28 28 LEU N N 28 121.828 122.219 -0.391 1
1 231 . 19 1 1 A 28 28 LEU H H 28 6.936 7.670 -0.734 1
1 232 . 19 1 1 A 28 28 LEU CA C 28 57.924 56.717 1.207 1
1 233 . 19 1 1 A 28 28 LEU HA H 28 3.285 2.755 0.530 1
1 234 . 19 1 1 A 28 28 LEU CB C 28 40.174 41.782 -1.608 1
1 246 . 19 1 1 A 28 28 LEU C C 28 177.664 178.063 -0.399 1
1 248 . 19 1 1 A 29 29 SER N N 29 114.464 114.610 -0.146 1
1 249 . 19 1 1 A 29 29 SER H H 29 8.367 8.379 -0.012 1
1 250 . 19 1 1 A 29 29 SER CA C 29 61.619 61.542 0.077 1
1 251 . 19 1 1 A 29 29 SER HA H 29 4.166 3.949 0.217 1
1 252 . 19 1 1 A 29 29 SER CB C 29 62.410 62.866 -0.456 1
1 254 . 19 1 1 A 29 29 SER C C 29 177.169 176.727 0.442 1
1 256 . 19 1 1 A 30 30 GLN N N 30 119.104 118.433 0.671 1
1 257 . 19 1 1 A 30 30 GLN H H 30 7.378 8.446 -1.068 1
1 258 . 19 1 1 A 30 30 GLN CA C 30 58.502 57.679 0.823 1
1 259 . 19 1 1 A 30 30 GLN HA H 30 3.949 4.136 -0.187 1
1 260 . 19 1 1 A 30 30 GLN CB C 30 28.439 27.346 1.093 1
1 267 . 19 1 1 A 30 30 GLN C C 30 178.325 177.562 0.763 1
1 270 . 19 1 1 A 31 31 HIS N N 31 119.372 119.737 -0.365 1
1 271 . 19 1 1 A 31 31 HIS H H 31 7.619 8.363 -0.744 1
1 272 . 19 1 1 A 31 31 HIS CA C 31 59.042 59.011 0.031 1
1 273 . 19 1 1 A 31 31 HIS HA H 31 4.149 4.204 -0.055 1
1 274 . 19 1 1 A 31 31 HIS CB C 31 28.503 30.143 -1.640 1
1 280 . 19 1 1 A 31 31 HIS C C 31 176.154 177.021 -0.867 1
1 282 . 19 1 1 A 32 32 GLN N N 32 114.990 118.326 -3.336 1
1 283 . 19 1 1 A 32 32 GLN H H 32 8.319 8.625 -0.306 1
1 284 . 19 1 1 A 32 32 GLN CA C 32 59.299 59.160 0.139 1
1 285 . 19 1 1 A 32 32 GLN HA H 32 3.653 3.929 -0.276 1
1 286 . 19 1 1 A 32 32 GLN CB C 32 28.260 28.250 0.010 1
1 293 . 19 1 1 A 32 32 GLN C C 32 177.281 178.595 -1.314 1
1 296 . 19 1 1 A 33 33 LYS N N 33 117.343 117.603 -0.260 1
1 297 . 19 1 1 A 33 33 LYS H H 33 7.039 7.812 -0.773 1
1 298 . 19 1 1 A 33 33 LYS CA C 33 58.503 58.872 -0.369 1
1 299 . 19 1 1 A 33 33 LYS HA H 33 4.067 4.065 0.002 1
1 300 . 19 1 1 A 33 33 LYS CB C 33 32.207 31.751 0.456 1
1 308 . 19 1 1 A 33 33 LYS C C 33 178.726 177.677 1.049 1
1 313 . 19 1 1 A 34 34 ILE N N 34 116.207 116.551 -0.344 1
1 314 . 19 1 1 A 34 34 ILE H H 34 7.787 7.926 -0.139 1
1 315 . 19 1 1 A 34 34 ILE CA C 34 62.920 64.079 -1.159 1
1 316 . 19 1 1 A 34 34 ILE HA H 34 3.951 3.708 0.243 1
1 317 . 19 1 1 A 34 34 ILE CB C 34 37.707 37.077 0.630 1
1 329 . 19 1 1 A 34 34 ILE C C 34 177.373 176.526 0.847 1
1 331 . 19 1 1 A 35 35 HIS N N 35 117.836 119.261 -1.425 1
1 332 . 19 1 1 A 35 35 HIS H H 35 7.199 7.736 -0.537 1
1 333 . 19 1 1 A 35 35 HIS CA C 35 55.161 55.479 -0.318 1
1 334 . 19 1 1 A 35 35 HIS HA H 35 4.846 4.659 0.187 1
1 335 . 19 1 1 A 35 35 HIS CB C 35 28.503 29.374 -0.871 1
1 341 . 19 1 1 A 35 35 HIS C C 35 175.779 174.196 1.583 1
1 343 . 19 1 1 A 36 36 THR N N 36 111.873 109.758 2.115 1
1 344 . 19 1 1 A 36 36 THR H H 36 7.764 8.091 -0.327 1
1 345 . 19 1 1 A 36 36 THR CA C 36 62.503 59.605 2.898 1
1 346 . 19 1 1 A 36 36 THR HA H 36 4.321 4.704 -0.383 1
1 347 . 19 1 1 A 36 36 THR CB C 36 69.764 71.720 -1.956 1
1 353 . 19 1 1 A 36 36 THR C C 36 175.480 174.295 1.185 1
1 354 . 19 1 1 A 37 37 GLY CA C 37 45.290 45.309 -0.019 1
1 355 . 19 1 1 A 37 37 GLY HA2 H 37 3.948 3.959 -0.011 1
1 356 . 19 1 1 A 38 38 GLU N N 38 120.760 120.376 0.384 1
1 357 . 19 1 1 A 38 38 GLU H H 38 8.217 8.007 0.210 1
1 358 . 19 1 1 A 38 38 GLU CA C 38 56.439 56.081 0.358 1
1 359 . 19 1 1 A 38 38 GLU HA H 38 4.217 4.653 -0.436 1
1 360 . 19 1 1 A 38 38 GLU CB C 38 30.508 32.848 -2.340 1
1 364 . 19 1 1 A 38 38 GLU C C 38 176.214 174.466 1.748 1
1 367 . 19 1 1 A 39 39 LYS N N 39 123.748 123.713 0.035 1
1 368 . 19 1 1 A 39 39 LYS H H 39 8.367 8.761 -0.394 1
1 369 . 19 1 1 A 39 39 LYS CA C 39 54.060 53.425 0.635 1
1 370 . 19 1 1 A 39 39 LYS HA H 39 4.579 4.790 -0.211 1
1 371 . 19 1 1 A 39 39 LYS CB C 39 32.498 32.753 -0.255 1
1 379 . 19 1 1 A 39 39 LYS C C 39 174.434 176.317 -1.883 1
1 384 . 19 1 1 A 40 40 PRO CA C 40 63.176 64.339 -1.163 1
1 385 . 19 1 1 A 40 40 PRO HA H 40 4.425 4.421 0.004 1
1 386 . 19 1 1 A 40 40 PRO CB C 40 32.185 31.788 0.397 1
1 395 . 19 1 1 A 41 41 SER N N 41 116.530 109.935 6.595 1
1 396 . 19 1 1 A 41 41 SER H H 41 8.478 7.849 0.629 1
1 397 . 19 1 1 A 43 43 PRO CA C 43 63.216 64.299 -1.083 1
1 398 . 19 1 1 A 43 43 PRO HA H 43 4.443 4.543 -0.100 1
1 399 . 19 1 1 A 43 43 PRO CB C 43 32.152 31.886 0.266 1
1 408 . 19 1 1 A 45 45 SER CA C 45 58.350 57.268 1.082 1
1 409 . 19 1 1 A 45 45 SER HA H 45 4.462 5.127 -0.665 1
1 410 . 19 1 1 A 45 45 SER CB C 45 63.976 65.968 -1.992 1
1 1 . 20 1 1 A 8 8 THR CA C 8 61.947 62.148 -0.201 1
1 2 . 20 1 1 A 8 8 THR HA H 8 4.342 4.342 0.000 1
1 3 . 20 1 1 A 8 8 THR CB C 8 69.725 69.770 -0.045 1
1 9 . 20 1 1 A 9 9 GLY N N 9 110.629 114.899 -4.270 1
1 10 . 20 1 1 A 9 9 GLY H H 9 8.204 8.435 -0.231 1
1 11 . 20 1 1 A 9 9 GLY CA C 9 45.276 45.679 -0.403 1
1 12 . 20 1 1 A 9 9 GLY HA3 H 9 3.987 4.041 -0.054 1
1 13 . 20 1 1 A 9 9 GLY HA2 H 9 3.937 4.033 -0.096 1
1 14 . 20 1 1 A 10 10 GLU N N 10 120.559 118.252 2.307 1
1 15 . 20 1 1 A 10 10 GLU H H 10 8.088 8.700 -0.612 1
1 16 . 20 1 1 A 10 10 GLU CA C 10 56.354 56.183 0.171 1
1 17 . 20 1 1 A 10 10 GLU HA H 10 4.215 4.304 -0.089 1
1 18 . 20 1 1 A 10 10 GLU CB C 10 30.414 29.157 1.257 1
1 21 . 20 1 1 A 10 10 GLU C C 10 176.435 176.360 0.075 1
1 24 . 20 1 1 A 11 11 LYS N N 11 123.361 122.175 1.186 1
1 25 . 20 1 1 A 11 11 LYS H H 11 8.424 7.778 0.646 1
1 26 . 20 1 1 A 11 11 LYS CA C 11 56.048 55.232 0.816 1
1 27 . 20 1 1 A 11 11 LYS HA H 11 4.197 4.572 -0.375 1
1 28 . 20 1 1 A 11 11 LYS CB C 11 32.695 33.245 -0.550 1
1 36 . 20 1 1 A 11 11 LYS C C 11 175.537 175.033 0.504 1
1 41 . 20 1 1 A 12 12 ARG N N 12 120.764 118.505 2.259 1
1 42 . 20 1 1 A 12 12 ARG H H 12 7.986 7.428 0.558 1
1 43 . 20 1 1 A 12 12 ARG CA C 12 55.218 55.058 0.160 1
1 44 . 20 1 1 A 12 12 ARG HA H 12 4.316 4.505 -0.189 1
1 45 . 20 1 1 A 12 12 ARG CB C 12 32.110 31.596 0.514 1
1 51 . 20 1 1 A 12 12 ARG C C 12 175.043 175.388 -0.345 1
1 55 . 20 1 1 A 13 13 TYR N N 13 121.086 123.515 -2.429 1
1 56 . 20 1 1 A 13 13 TYR H H 13 8.420 8.323 0.097 1
1 57 . 20 1 1 A 13 13 TYR CA C 13 57.592 58.400 -0.808 1
1 58 . 20 1 1 A 13 13 TYR HA H 13 4.559 4.743 -0.184 1
1 59 . 20 1 1 A 13 13 TYR CB C 13 38.873 37.889 0.984 1
1 69 . 20 1 1 A 13 13 TYR C C 13 173.957 175.286 -1.329 1
1 71 . 20 1 1 A 14 14 LYS N N 14 125.789 126.046 -0.257 1
1 72 . 20 1 1 A 14 14 LYS H H 14 8.570 8.824 -0.254 1
1 73 . 20 1 1 A 14 14 LYS CA C 14 54.913 55.520 -0.607 1
1 74 . 20 1 1 A 14 14 LYS HA H 14 4.971 5.153 -0.182 1
1 75 . 20 1 1 A 14 14 LYS CB C 14 35.797 33.967 1.830 1
1 83 . 20 1 1 A 14 14 LYS C C 14 174.933 176.171 -1.238 1
1 88 . 20 1 1 A 15 15 CYS N N 15 127.853 125.669 2.184 1
1 89 . 20 1 1 A 15 15 CYS H H 15 9.319 9.007 0.312 1
1 90 . 20 1 1 A 15 15 CYS CA C 15 59.341 59.053 0.288 1
1 91 . 20 1 1 A 15 15 CYS HA H 15 4.543 4.577 -0.034 1
1 92 . 20 1 1 A 15 15 CYS CB C 15 29.426 27.620 1.806 1
1 94 . 20 1 1 A 15 15 CYS C C 15 176.804 175.711 1.093 1
1 96 . 20 1 1 A 16 16 ASN N N 16 115.775 125.313 -9.538 1
1 97 . 20 1 1 A 16 16 ASN H H 16 9.413 8.565 0.848 1
1 98 . 20 1 1 A 16 16 ASN CA C 16 55.575 55.584 -0.009 1
1 99 . 20 1 1 A 16 16 ASN HA H 16 4.489 4.422 0.067 1
1 100 . 20 1 1 A 16 16 ASN CB C 16 38.399 37.553 0.846 1
1 105 . 20 1 1 A 16 16 ASN C C 16 175.467 177.416 -1.949 1
1 107 . 20 1 1 A 17 17 GLU N N 17 120.746 119.844 0.902 1
1 108 . 20 1 1 A 17 17 GLU H H 17 8.638 8.097 0.541 1
1 109 . 20 1 1 A 17 17 GLU CA C 17 58.455 58.767 -0.312 1
1 110 . 20 1 1 A 17 17 GLU HA H 17 4.176 3.989 0.187 1
1 111 . 20 1 1 A 17 17 GLU CB C 17 29.410 29.518 -0.108 1
1 115 . 20 1 1 A 17 17 GLU C C 17 177.060 178.135 -1.075 1
1 118 . 20 1 1 A 18 18 CYS N N 18 129.116 115.041 14.075 1
1 119 . 20 1 1 A 18 18 CYS H H 18 7.901 7.855 0.046 1
1 120 . 20 1 1 A 18 18 CYS CA C 18 58.282 59.550 -1.268 1
1 121 . 20 1 1 A 18 18 CYS HA H 18 5.150 4.544 0.606 1
1 122 . 20 1 1 A 18 18 CYS CB C 18 32.401 29.723 2.678 1
1 124 . 20 1 1 A 18 18 CYS C C 18 176.219 175.325 0.894 1
1 126 . 20 1 1 A 19 19 GLY N N 19 113.520 110.142 3.378 1
1 127 . 20 1 1 A 19 19 GLY H H 19 8.182 8.248 -0.066 1
1 128 . 20 1 1 A 19 19 GLY CA C 19 46.219 45.066 1.153 1
1 129 . 20 1 1 A 19 19 GLY HA3 H 19 3.689 4.103 -0.414 1
1 130 . 20 1 1 A 19 19 GLY C C 19 173.588 174.688 -1.100 1
1 131 . 20 1 1 A 19 19 GLY HA2 H 19 4.213 4.089 0.124 1
1 132 . 20 1 1 A 20 20 LYS N N 20 122.589 120.173 2.416 1
1 133 . 20 1 1 A 20 20 LYS H H 20 7.851 7.499 0.352 1
1 134 . 20 1 1 A 20 20 LYS CA C 20 58.180 56.310 1.870 1
1 135 . 20 1 1 A 20 20 LYS HA H 20 3.939 4.385 -0.446 1
1 136 . 20 1 1 A 20 20 LYS CB C 20 33.798 34.288 -0.490 1
1 144 . 20 1 1 A 20 20 LYS C C 20 174.180 175.316 -1.136 1
1 149 . 20 1 1 A 21 21 VAL N N 21 117.610 116.969 0.641 1
1 150 . 20 1 1 A 21 21 VAL H H 21 7.594 8.151 -0.557 1
1 151 . 20 1 1 A 21 21 VAL CA C 21 60.526 59.414 1.112 1
1 152 . 20 1 1 A 21 21 VAL HA H 21 4.679 5.166 -0.487 1
1 153 . 20 1 1 A 21 21 VAL CB C 21 34.022 35.994 -1.972 1
1 163 . 20 1 1 A 21 21 VAL C C 21 174.872 174.216 0.656 1
1 164 . 20 1 1 A 22 22 PHE N N 22 121.976 120.320 1.656 1
1 165 . 20 1 1 A 22 22 PHE H H 22 8.775 8.436 0.339 1
1 166 . 20 1 1 A 22 22 PHE CA C 22 56.821 57.111 -0.290 1
1 167 . 20 1 1 A 22 22 PHE HA H 22 4.800 4.901 -0.101 1
1 168 . 20 1 1 A 22 22 PHE CB C 22 43.204 42.730 0.474 1
1 180 . 20 1 1 A 22 22 PHE C C 22 175.430 175.816 -0.386 1
1 182 . 20 1 1 A 23 23 SER CA C 23 60.085 61.987 -1.902 1
1 183 . 20 1 1 A 23 23 SER HA H 23 4.775 4.202 0.573 1
1 184 . 20 1 1 A 23 23 SER CB C 23 64.261 63.188 1.073 1
1 186 . 20 1 1 A 23 23 SER C C 23 174.312 174.994 -0.682 1
1 188 . 20 1 1 A 24 24 ARG N N 24 116.908 119.446 -2.538 1
1 189 . 20 1 1 A 24 24 ARG H H 24 7.615 8.143 -0.528 1
1 190 . 20 1 1 A 24 24 ARG CA C 24 54.212 54.450 -0.238 1
1 191 . 20 1 1 A 24 24 ARG HA H 24 4.694 4.959 -0.265 1
1 192 . 20 1 1 A 24 24 ARG CB C 24 33.940 32.886 1.054 1
1 198 . 20 1 1 A 24 24 ARG C C 24 176.291 176.679 -0.388 1
1 202 . 20 1 1 A 25 25 ASN CA C 25 56.082 56.269 -0.187 1
1 203 . 20 1 1 A 25 25 ASN HA H 25 3.539 4.316 -0.777 1
1 204 . 20 1 1 A 25 25 ASN CB C 25 38.067 38.047 0.020 1
1 210 . 20 1 1 A 26 26 SER CA C 26 60.712 60.889 -0.177 1
1 211 . 20 1 1 A 26 26 SER HA H 26 4.006 4.083 -0.077 1
1 212 . 20 1 1 A 26 26 SER CB C 26 61.415 63.133 -1.718 1
1 214 . 20 1 1 A 26 26 SER C C 26 176.943 175.915 1.028 1
1 216 . 20 1 1 A 27 27 GLN N N 27 120.570 119.609 0.961 1
1 217 . 20 1 1 A 27 27 GLN H H 27 6.621 7.589 -0.968 1
1 218 . 20 1 1 A 27 27 GLN CA C 27 57.591 57.478 0.113 1
1 219 . 20 1 1 A 27 27 GLN HA H 27 3.978 4.269 -0.291 1
1 220 . 20 1 1 A 27 27 GLN CB C 27 28.835 29.261 -0.426 1
1 227 . 20 1 1 A 27 27 GLN C C 27 178.709 177.833 0.876 1
1 230 . 20 1 1 A 28 28 LEU N N 28 121.828 122.441 -0.613 1
1 231 . 20 1 1 A 28 28 LEU H H 28 6.936 7.782 -0.846 1
1 232 . 20 1 1 A 28 28 LEU CA C 28 57.924 57.246 0.678 1
1 233 . 20 1 1 A 28 28 LEU HA H 28 3.285 2.676 0.609 1
1 234 . 20 1 1 A 28 28 LEU CB C 28 40.174 41.483 -1.309 1
1 246 . 20 1 1 A 28 28 LEU C C 28 177.664 178.274 -0.610 1
1 248 . 20 1 1 A 29 29 SER N N 29 114.464 116.442 -1.978 1
1 249 . 20 1 1 A 29 29 SER H H 29 8.367 8.348 0.019 1
1 250 . 20 1 1 A 29 29 SER CA C 29 61.619 61.949 -0.330 1
1 251 . 20 1 1 A 29 29 SER HA H 29 4.166 4.017 0.149 1
1 252 . 20 1 1 A 29 29 SER CB C 29 62.410 62.711 -0.301 1
1 254 . 20 1 1 A 29 29 SER C C 29 177.169 176.318 0.851 1
1 256 . 20 1 1 A 30 30 GLN N N 30 119.104 119.709 -0.605 1
1 257 . 20 1 1 A 30 30 GLN H H 30 7.378 7.922 -0.544 1
1 258 . 20 1 1 A 30 30 GLN CA C 30 58.502 57.551 0.951 1
1 259 . 20 1 1 A 30 30 GLN HA H 30 3.949 4.079 -0.130 1
1 260 . 20 1 1 A 30 30 GLN CB C 30 28.439 28.195 0.244 1
1 267 . 20 1 1 A 30 30 GLN C C 30 178.325 177.450 0.875 1
1 270 . 20 1 1 A 31 31 HIS N N 31 119.372 121.108 -1.736 1
1 271 . 20 1 1 A 31 31 HIS H H 31 7.619 8.061 -0.442 1
1 272 . 20 1 1 A 31 31 HIS CA C 31 59.042 59.029 0.013 1
1 273 . 20 1 1 A 31 31 HIS HA H 31 4.149 4.154 -0.005 1
1 274 . 20 1 1 A 31 31 HIS CB C 31 28.503 30.030 -1.527 1
1 280 . 20 1 1 A 31 31 HIS C C 31 176.154 176.917 -0.763 1
1 282 . 20 1 1 A 32 32 GLN N N 32 114.990 118.589 -3.599 1
1 283 . 20 1 1 A 32 32 GLN H H 32 8.319 8.407 -0.088 1
1 284 . 20 1 1 A 32 32 GLN CA C 32 59.299 58.995 0.304 1
1 285 . 20 1 1 A 32 32 GLN HA H 32 3.653 3.791 -0.138 1
1 286 . 20 1 1 A 32 32 GLN CB C 32 28.260 28.374 -0.114 1
1 293 . 20 1 1 A 32 32 GLN C C 32 177.281 178.406 -1.125 1
1 296 . 20 1 1 A 33 33 LYS N N 33 117.343 117.650 -0.307 1
1 297 . 20 1 1 A 33 33 LYS H H 33 7.039 7.652 -0.613 1
1 298 . 20 1 1 A 33 33 LYS CA C 33 58.503 58.719 -0.216 1
1 299 . 20 1 1 A 33 33 LYS HA H 33 4.067 4.062 0.005 1
1 300 . 20 1 1 A 33 33 LYS CB C 33 32.207 31.375 0.832 1
1 308 . 20 1 1 A 33 33 LYS C C 33 178.726 177.347 1.379 1
1 313 . 20 1 1 A 34 34 ILE N N 34 116.207 116.312 -0.105 1
1 314 . 20 1 1 A 34 34 ILE H H 34 7.787 7.606 0.181 1
1 315 . 20 1 1 A 34 34 ILE CA C 34 62.920 63.483 -0.563 1
1 316 . 20 1 1 A 34 34 ILE HA H 34 3.951 3.773 0.178 1
1 317 . 20 1 1 A 34 34 ILE CB C 34 37.707 37.018 0.689 1
1 329 . 20 1 1 A 34 34 ILE C C 34 177.373 177.327 0.046 1
1 331 . 20 1 1 A 35 35 HIS N N 35 117.836 119.728 -1.892 1
1 332 . 20 1 1 A 35 35 HIS H H 35 7.199 7.839 -0.640 1
1 333 . 20 1 1 A 35 35 HIS CA C 35 55.161 59.448 -4.287 1
1 334 . 20 1 1 A 35 35 HIS HA H 35 4.846 4.353 0.493 1
1 335 . 20 1 1 A 35 35 HIS CB C 35 28.503 30.629 -2.126 1
1 341 . 20 1 1 A 35 35 HIS C C 35 175.779 176.174 -0.395 1
1 343 . 20 1 1 A 36 36 THR N N 36 111.873 112.241 -0.368 1
1 344 . 20 1 1 A 36 36 THR H H 36 7.764 7.607 0.157 1
1 345 . 20 1 1 A 36 36 THR CA C 36 62.503 63.171 -0.668 1
1 346 . 20 1 1 A 36 36 THR HA H 36 4.321 4.311 0.010 1
1 347 . 20 1 1 A 36 36 THR CB C 36 69.764 69.125 0.639 1
1 353 . 20 1 1 A 36 36 THR C C 36 175.480 174.751 0.729 1
1 354 . 20 1 1 A 37 37 GLY CA C 37 45.290 44.158 1.132 1
1 355 . 20 1 1 A 37 37 GLY HA2 H 37 3.948 4.119 -0.171 1
1 356 . 20 1 1 A 38 38 GLU N N 38 120.760 121.272 -0.512 1
1 357 . 20 1 1 A 38 38 GLU H H 38 8.217 8.476 -0.259 1
1 358 . 20 1 1 A 38 38 GLU CA C 38 56.439 56.889 -0.450 1
1 359 . 20 1 1 A 38 38 GLU HA H 38 4.217 4.343 -0.126 1
1 360 . 20 1 1 A 38 38 GLU CB C 38 30.508 30.773 -0.265 1
1 364 . 20 1 1 A 38 38 GLU C C 38 176.214 175.661 0.553 1
1 367 . 20 1 1 A 39 39 LYS N N 39 123.748 122.575 1.173 1
1 368 . 20 1 1 A 39 39 LYS H H 39 8.367 9.011 -0.644 1
1 369 . 20 1 1 A 39 39 LYS CA C 39 54.060 53.446 0.614 1
1 370 . 20 1 1 A 39 39 LYS HA H 39 4.579 4.987 -0.408 1
1 371 . 20 1 1 A 39 39 LYS CB C 39 32.498 35.521 -3.023 1
1 379 . 20 1 1 A 39 39 LYS C C 39 174.434 174.601 -0.167 1
1 384 . 20 1 1 A 40 40 PRO CA C 40 63.176 62.535 0.641 1
1 385 . 20 1 1 A 40 40 PRO HA H 40 4.425 4.473 -0.048 1
1 386 . 20 1 1 A 40 40 PRO CB C 40 32.185 32.633 -0.448 1
1 395 . 20 1 1 A 41 41 SER N N 41 116.530 117.471 -0.941 1
1 396 . 20 1 1 A 41 41 SER H H 41 8.478 8.769 -0.291 1
1 397 . 20 1 1 A 43 43 PRO CA C 43 63.216 65.049 -1.833 1
1 398 . 20 1 1 A 43 43 PRO HA H 43 4.443 4.425 0.018 1
1 399 . 20 1 1 A 43 43 PRO CB C 43 32.152 31.512 0.640 1
1 408 . 20 1 1 A 45 45 SER CA C 45 58.350 60.664 -2.314 1
1 409 . 20 1 1 A 45 45 SER HA H 45 4.462 4.263 0.199 1
1 410 . 20 1 1 A 45 45 SER CB C 45 63.976 63.584 0.392 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 28 1.047 1
2 1 1 1 "RMS(OBS, PRED)" CA 35 1.344 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.318 1
4 1 1 1 "RMS(OBS, PRED)" H 28 0.486 1
5 1 1 1 "RMS(OBS, PRED)" HA 37 0.312 1
6 1 1 1 "RMS(OBS, PRED)" N 28 4.004 1
7 1 2 1 "RMS(OBS, PRED)" C 28 1.027 1
8 1 2 1 "RMS(OBS, PRED)" CA 35 1.214 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.503 1
10 1 2 1 "RMS(OBS, PRED)" H 28 0.548 1
11 1 2 1 "RMS(OBS, PRED)" HA 37 0.386 1
12 1 2 1 "RMS(OBS, PRED)" N 28 4.441 1
13 1 3 1 "RMS(OBS, PRED)" C 28 0.921 1
14 1 3 1 "RMS(OBS, PRED)" CA 35 1.123 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.200 1
16 1 3 1 "RMS(OBS, PRED)" H 28 0.488 1
17 1 3 1 "RMS(OBS, PRED)" HA 37 0.345 1
18 1 3 1 "RMS(OBS, PRED)" N 28 4.030 1
19 1 4 1 "RMS(OBS, PRED)" C 28 0.792 1
20 1 4 1 "RMS(OBS, PRED)" CA 35 1.010 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.141 1
22 1 4 1 "RMS(OBS, PRED)" H 28 0.506 1
23 1 4 1 "RMS(OBS, PRED)" HA 37 0.330 1
24 1 4 1 "RMS(OBS, PRED)" N 28 4.670 1
25 1 5 1 "RMS(OBS, PRED)" C 28 1.079 1
26 1 5 1 "RMS(OBS, PRED)" CA 35 1.129 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.257 1
28 1 5 1 "RMS(OBS, PRED)" H 28 0.507 1
29 1 5 1 "RMS(OBS, PRED)" HA 37 0.316 1
30 1 5 1 "RMS(OBS, PRED)" N 28 4.107 1
31 1 6 1 "RMS(OBS, PRED)" C 28 0.984 1
32 1 6 1 "RMS(OBS, PRED)" CA 35 1.277 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.319 1
34 1 6 1 "RMS(OBS, PRED)" H 28 0.504 1
35 1 6 1 "RMS(OBS, PRED)" HA 37 0.335 1
36 1 6 1 "RMS(OBS, PRED)" N 28 4.152 1
37 1 7 1 "RMS(OBS, PRED)" C 28 1.082 1
38 1 7 1 "RMS(OBS, PRED)" CA 35 1.260 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.423 1
40 1 7 1 "RMS(OBS, PRED)" H 28 0.538 1
41 1 7 1 "RMS(OBS, PRED)" HA 37 0.367 1
42 1 7 1 "RMS(OBS, PRED)" N 28 4.117 1
43 1 8 1 "RMS(OBS, PRED)" C 28 1.025 1
44 1 8 1 "RMS(OBS, PRED)" CA 35 0.852 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.316 1
46 1 8 1 "RMS(OBS, PRED)" H 28 0.502 1
47 1 8 1 "RMS(OBS, PRED)" HA 37 0.325 1
48 1 8 1 "RMS(OBS, PRED)" N 28 4.181 1
49 1 9 1 "RMS(OBS, PRED)" C 28 1.053 1
50 1 9 1 "RMS(OBS, PRED)" CA 35 1.078 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.231 1
52 1 9 1 "RMS(OBS, PRED)" H 28 0.518 1
53 1 9 1 "RMS(OBS, PRED)" HA 37 0.309 1
54 1 9 1 "RMS(OBS, PRED)" N 28 3.974 1
55 1 10 1 "RMS(OBS, PRED)" C 28 0.924 1
56 1 10 1 "RMS(OBS, PRED)" CA 35 1.250 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.270 1
58 1 10 1 "RMS(OBS, PRED)" H 28 0.520 1
59 1 10 1 "RMS(OBS, PRED)" HA 37 0.305 1
60 1 10 1 "RMS(OBS, PRED)" N 28 4.032 1
61 1 11 1 "RMS(OBS, PRED)" C 28 1.022 1
62 1 11 1 "RMS(OBS, PRED)" CA 35 1.119 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.266 1
64 1 11 1 "RMS(OBS, PRED)" H 28 0.501 1
65 1 11 1 "RMS(OBS, PRED)" HA 37 0.301 1
66 1 11 1 "RMS(OBS, PRED)" N 28 4.259 1
67 1 12 1 "RMS(OBS, PRED)" C 28 0.982 1
68 1 12 1 "RMS(OBS, PRED)" CA 35 1.163 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.454 1
70 1 12 1 "RMS(OBS, PRED)" H 28 0.562 1
71 1 12 1 "RMS(OBS, PRED)" HA 37 0.321 1
72 1 12 1 "RMS(OBS, PRED)" N 28 4.154 1
73 1 13 1 "RMS(OBS, PRED)" C 28 1.034 1
74 1 13 1 "RMS(OBS, PRED)" CA 35 1.086 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.315 1
76 1 13 1 "RMS(OBS, PRED)" H 28 0.503 1
77 1 13 1 "RMS(OBS, PRED)" HA 37 0.366 1
78 1 13 1 "RMS(OBS, PRED)" N 28 4.081 1
79 1 14 1 "RMS(OBS, PRED)" C 28 0.978 1
80 1 14 1 "RMS(OBS, PRED)" CA 35 1.211 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.236 1
82 1 14 1 "RMS(OBS, PRED)" H 28 0.467 1
83 1 14 1 "RMS(OBS, PRED)" HA 37 0.381 1
84 1 14 1 "RMS(OBS, PRED)" N 28 4.029 1
85 1 15 1 "RMS(OBS, PRED)" C 28 1.039 1
86 1 15 1 "RMS(OBS, PRED)" CA 35 1.180 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.503 1
88 1 15 1 "RMS(OBS, PRED)" H 28 0.438 1
89 1 15 1 "RMS(OBS, PRED)" HA 37 0.349 1
90 1 15 1 "RMS(OBS, PRED)" N 28 4.154 1
91 1 16 1 "RMS(OBS, PRED)" C 28 1.052 1
92 1 16 1 "RMS(OBS, PRED)" CA 35 1.051 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.512 1
94 1 16 1 "RMS(OBS, PRED)" H 28 0.474 1
95 1 16 1 "RMS(OBS, PRED)" HA 37 0.380 1
96 1 16 1 "RMS(OBS, PRED)" N 28 4.221 1
97 1 17 1 "RMS(OBS, PRED)" C 28 0.898 1
98 1 17 1 "RMS(OBS, PRED)" CA 35 1.353 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.324 1
100 1 17 1 "RMS(OBS, PRED)" H 28 0.514 1
101 1 17 1 "RMS(OBS, PRED)" HA 37 0.322 1
102 1 17 1 "RMS(OBS, PRED)" N 28 4.512 1
103 1 18 1 "RMS(OBS, PRED)" C 28 1.147 1
104 1 18 1 "RMS(OBS, PRED)" CA 35 0.906 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.270 1
106 1 18 1 "RMS(OBS, PRED)" H 28 0.525 1
107 1 18 1 "RMS(OBS, PRED)" HA 37 0.316 1
108 1 18 1 "RMS(OBS, PRED)" N 28 4.037 1
109 1 19 1 "RMS(OBS, PRED)" C 28 1.133 1
110 1 19 1 "RMS(OBS, PRED)" CA 35 1.035 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.363 1
112 1 19 1 "RMS(OBS, PRED)" H 28 0.526 1
113 1 19 1 "RMS(OBS, PRED)" HA 37 0.357 1
114 1 19 1 "RMS(OBS, PRED)" N 28 4.125 1
115 1 20 1 "RMS(OBS, PRED)" C 28 0.919 1
116 1 20 1 "RMS(OBS, PRED)" CA 35 1.155 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.240 1
118 1 20 1 "RMS(OBS, PRED)" H 28 0.499 1
119 1 20 1 "RMS(OBS, PRED)" HA 37 0.305 1
120 1 20 1 "RMS(OBS, PRED)" N 28 3.778 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 8 8 THR CA C 8 61.947 62.469 -0.522 2
1 2 . 1 1 A 8 8 THR HA H 8 4.342 4.419 -0.077 2
1 3 . 1 1 A 8 8 THR CB C 8 69.725 69.665 0.060 2
1 9 . 1 1 A 9 9 GLY N N 9 110.629 112.246 -1.617 2
1 10 . 1 1 A 9 9 GLY H H 9 8.204 8.477 -0.273 2
1 11 . 1 1 A 9 9 GLY CA C 9 45.276 45.504 -0.228 2
1 12 . 1 1 A 9 9 GLY HA3 H 9 3.987 4.073 -0.086 2
1 13 . 1 1 A 9 9 GLY HA2 H 9 3.937 4.071 -0.134 2
1 14 . 1 1 A 10 10 GLU N N 10 120.559 121.854 -1.295 2
1 15 . 1 1 A 10 10 GLU H H 10 8.088 8.339 -0.251 2
1 16 . 1 1 A 10 10 GLU CA C 10 56.354 55.767 0.587 2
1 17 . 1 1 A 10 10 GLU HA H 10 4.215 4.561 -0.346 2
1 18 . 1 1 A 10 10 GLU CB C 10 30.414 30.953 -0.539 2
1 21 . 1 1 A 10 10 GLU C C 10 176.435 175.638 0.797 2
1 24 . 1 1 A 11 11 LYS N N 11 123.361 123.967 -0.606 2
1 25 . 1 1 A 11 11 LYS H H 11 8.424 8.373 0.051 2
1 26 . 1 1 A 11 11 LYS CA C 11 56.048 55.667 0.381 2
1 27 . 1 1 A 11 11 LYS HA H 11 4.197 4.367 -0.170 2
1 28 . 1 1 A 11 11 LYS CB C 11 32.695 32.289 0.406 2
1 36 . 1 1 A 11 11 LYS C C 11 175.537 175.344 0.193 2
1 41 . 1 1 A 12 12 ARG N N 12 120.764 122.897 -2.133 2
1 42 . 1 1 A 12 12 ARG H H 12 7.986 8.225 -0.239 2
1 43 . 1 1 A 12 12 ARG CA C 12 55.218 55.067 0.151 2
1 44 . 1 1 A 12 12 ARG HA H 12 4.316 4.595 -0.279 2
1 45 . 1 1 A 12 12 ARG CB C 12 32.110 31.189 0.921 2
1 51 . 1 1 A 12 12 ARG C C 12 175.043 174.891 0.152 2
1 55 . 1 1 A 13 13 TYR N N 13 121.086 124.719 -3.633 2
1 56 . 1 1 A 13 13 TYR H H 13 8.420 8.337 0.083 2
1 57 . 1 1 A 13 13 TYR CA C 13 57.592 58.540 -0.948 2
1 58 . 1 1 A 13 13 TYR HA H 13 4.559 4.756 -0.197 2
1 59 . 1 1 A 13 13 TYR CB C 13 38.873 38.254 0.619 2
1 69 . 1 1 A 13 13 TYR C C 13 173.957 175.298 -1.341 2
1 71 . 1 1 A 14 14 LYS N N 14 125.789 125.606 0.183 2
1 72 . 1 1 A 14 14 LYS H H 14 8.570 8.745 -0.175 2
1 73 . 1 1 A 14 14 LYS CA C 14 54.913 55.506 -0.593 2
1 74 . 1 1 A 14 14 LYS HA H 14 4.971 5.146 -0.175 2
1 75 . 1 1 A 14 14 LYS CB C 14 35.797 34.076 1.721 2
1 83 . 1 1 A 14 14 LYS C C 14 174.933 176.324 -1.391 2
1 88 . 1 1 A 15 15 CYS N N 15 127.853 125.318 2.535 2
1 89 . 1 1 A 15 15 CYS H H 15 9.319 9.196 0.123 2
1 90 . 1 1 A 15 15 CYS CA C 15 59.341 59.266 0.075 2
1 91 . 1 1 A 15 15 CYS HA H 15 4.543 4.604 -0.061 2
1 92 . 1 1 A 15 15 CYS CB C 15 29.426 28.107 1.319 2
1 94 . 1 1 A 15 15 CYS C C 15 176.804 175.953 0.851 2
1 96 . 1 1 A 16 16 ASN N N 16 115.775 126.253 -10.478 2
1 97 . 1 1 A 16 16 ASN H H 16 9.413 8.893 0.520 2
1 98 . 1 1 A 16 16 ASN CA C 16 55.575 55.213 0.362 2
1 99 . 1 1 A 16 16 ASN HA H 16 4.489 4.586 -0.097 2
1 100 . 1 1 A 16 16 ASN CB C 16 38.399 38.155 0.244 2
1 105 . 1 1 A 16 16 ASN C C 16 175.467 176.865 -1.398 2
1 107 . 1 1 A 17 17 GLU N N 17 120.746 118.633 2.113 2
1 108 . 1 1 A 17 17 GLU H H 17 8.638 7.931 0.707 2
1 109 . 1 1 A 17 17 GLU CA C 17 58.455 58.458 -0.003 2
1 110 . 1 1 A 17 17 GLU HA H 17 4.176 4.036 0.140 2
1 111 . 1 1 A 17 17 GLU CB C 17 29.410 29.765 -0.355 2
1 115 . 1 1 A 17 17 GLU C C 17 177.060 178.078 -1.018 2
1 118 . 1 1 A 18 18 CYS N N 18 129.116 114.708 14.408 2
1 119 . 1 1 A 18 18 CYS H H 18 7.901 7.820 0.081 2
1 120 . 1 1 A 18 18 CYS CA C 18 58.282 59.654 -1.372 2
1 121 . 1 1 A 18 18 CYS HA H 18 5.150 4.551 0.599 2
1 122 . 1 1 A 18 18 CYS CB C 18 32.401 29.603 2.798 2
1 124 . 1 1 A 18 18 CYS C C 18 176.219 175.304 0.915 2
1 126 . 1 1 A 19 19 GLY N N 19 113.520 109.984 3.536 2
1 127 . 1 1 A 19 19 GLY H H 19 8.182 8.007 0.175 2
1 128 . 1 1 A 19 19 GLY CA C 19 46.219 45.076 1.143 2
1 129 . 1 1 A 19 19 GLY HA3 H 19 3.689 4.084 -0.395 2
1 130 . 1 1 A 19 19 GLY C C 19 173.588 174.598 -1.010 2
1 131 . 1 1 A 19 19 GLY HA2 H 19 4.213 4.071 0.142 2
1 132 . 1 1 A 20 20 LYS N N 20 122.589 120.349 2.240 2
1 133 . 1 1 A 20 20 LYS H H 20 7.851 7.510 0.341 2
1 134 . 1 1 A 20 20 LYS CA C 20 58.180 56.336 1.844 2
1 135 . 1 1 A 20 20 LYS HA H 20 3.939 4.383 -0.444 2
1 136 . 1 1 A 20 20 LYS CB C 20 33.798 34.256 -0.458 2
1 144 . 1 1 A 20 20 LYS C C 20 174.180 175.431 -1.251 2
1 149 . 1 1 A 21 21 VAL N N 21 117.610 117.301 0.309 2
1 150 . 1 1 A 21 21 VAL H H 21 7.594 8.265 -0.671 2
1 151 . 1 1 A 21 21 VAL CA C 21 60.526 59.364 1.162 2
1 152 . 1 1 A 21 21 VAL HA H 21 4.679 5.288 -0.609 2
1 153 . 1 1 A 21 21 VAL CB C 21 34.022 35.924 -1.902 2
1 163 . 1 1 A 21 21 VAL C C 21 174.872 174.436 0.436 2
1 164 . 1 1 A 22 22 PHE N N 22 121.976 120.377 1.599 2
1 165 . 1 1 A 22 22 PHE H H 22 8.775 8.627 0.148 2
1 166 . 1 1 A 22 22 PHE CA C 22 56.821 56.677 0.144 2
1 167 . 1 1 A 22 22 PHE HA H 22 4.800 4.960 -0.160 2
1 168 . 1 1 A 22 22 PHE CB C 22 43.204 42.790 0.414 2
1 180 . 1 1 A 22 22 PHE C C 22 175.430 175.795 -0.365 2
1 182 . 1 1 A 23 23 SER CA C 23 60.085 61.358 -1.273 2
1 183 . 1 1 A 23 23 SER HA H 23 4.775 4.312 0.463 2
1 184 . 1 1 A 23 23 SER CB C 23 64.261 63.281 0.980 2
1 186 . 1 1 A 23 23 SER C C 23 174.312 174.470 -0.158 2
1 188 . 1 1 A 24 24 ARG N N 24 116.908 119.423 -2.515 2
1 189 . 1 1 A 24 24 ARG H H 24 7.615 8.074 -0.459 2
1 190 . 1 1 A 24 24 ARG CA C 24 54.212 54.587 -0.374 2
1 191 . 1 1 A 24 24 ARG HA H 24 4.694 4.973 -0.279 2
1 192 . 1 1 A 24 24 ARG CB C 24 33.940 33.033 0.907 2
1 198 . 1 1 A 24 24 ARG C C 24 176.291 176.630 -0.339 2
1 202 . 1 1 A 25 25 ASN CA C 25 56.082 55.921 0.161 2
1 203 . 1 1 A 25 25 ASN HA H 25 3.539 4.128 -0.589 2
1 204 . 1 1 A 25 25 ASN CB C 25 38.067 37.255 0.812 2
1 210 . 1 1 A 26 26 SER CA C 26 60.712 61.012 -0.300 2
1 211 . 1 1 A 26 26 SER HA H 26 4.006 4.120 -0.114 2
1 212 . 1 1 A 26 26 SER CB C 26 61.415 63.013 -1.598 2
1 214 . 1 1 A 26 26 SER C C 26 176.943 175.369 1.574 2
1 216 . 1 1 A 27 27 GLN N N 27 120.570 119.070 1.500 2
1 217 . 1 1 A 27 27 GLN H H 27 6.621 7.638 -1.017 2
1 218 . 1 1 A 27 27 GLN CA C 27 57.591 57.260 0.331 2
1 219 . 1 1 A 27 27 GLN HA H 27 3.978 4.293 -0.315 2
1 220 . 1 1 A 27 27 GLN CB C 27 28.835 29.287 -0.452 2
1 227 . 1 1 A 27 27 GLN C C 27 178.709 177.821 0.888 2
1 230 . 1 1 A 28 28 LEU N N 28 121.828 122.432 -0.604 2
1 231 . 1 1 A 28 28 LEU H H 28 6.936 7.611 -0.675 2
1 232 . 1 1 A 28 28 LEU CA C 28 57.924 57.031 0.893 2
1 233 . 1 1 A 28 28 LEU HA H 28 3.285 2.665 0.620 2
1 234 . 1 1 A 28 28 LEU CB C 28 40.174 41.476 -1.302 2
1 246 . 1 1 A 28 28 LEU C C 28 177.664 178.083 -0.419 2
1 248 . 1 1 A 29 29 SER N N 29 114.464 114.848 -0.384 2
1 249 . 1 1 A 29 29 SER H H 29 8.367 8.233 0.134 2
1 250 . 1 1 A 29 29 SER CA C 29 61.619 61.573 0.046 2
1 251 . 1 1 A 29 29 SER HA H 29 4.166 3.975 0.191 2
1 252 . 1 1 A 29 29 SER CB C 29 62.410 62.821 -0.411 2
1 254 . 1 1 A 29 29 SER C C 29 177.169 176.853 0.316 2
1 256 . 1 1 A 30 30 GLN N N 30 119.104 119.884 -0.780 2
1 257 . 1 1 A 30 30 GLN H H 30 7.378 8.175 -0.797 2
1 258 . 1 1 A 30 30 GLN CA C 30 58.502 57.853 0.649 2
1 259 . 1 1 A 30 30 GLN HA H 30 3.949 4.113 -0.164 2
1 260 . 1 1 A 30 30 GLN CB C 30 28.439 28.313 0.126 2
1 267 . 1 1 A 30 30 GLN C C 30 178.325 177.682 0.643 2
1 270 . 1 1 A 31 31 HIS N N 31 119.372 120.820 -1.448 2
1 271 . 1 1 A 31 31 HIS H H 31 7.619 8.236 -0.617 2
1 272 . 1 1 A 31 31 HIS CA C 31 59.042 59.007 0.035 2
1 273 . 1 1 A 31 31 HIS HA H 31 4.149 4.186 -0.037 2
1 274 . 1 1 A 31 31 HIS CB C 31 28.503 30.111 -1.609 2
1 280 . 1 1 A 31 31 HIS C C 31 176.154 177.102 -0.948 2
1 282 . 1 1 A 32 32 GLN N N 32 114.990 118.364 -3.374 2
1 283 . 1 1 A 32 32 GLN H H 32 8.319 8.507 -0.188 2
1 284 . 1 1 A 32 32 GLN CA C 32 59.299 58.991 0.308 2
1 285 . 1 1 A 32 32 GLN HA H 32 3.653 3.883 -0.230 2
1 286 . 1 1 A 32 32 GLN CB C 32 28.260 28.290 -0.030 2
1 293 . 1 1 A 32 32 GLN C C 32 177.281 178.363 -1.082 2
1 296 . 1 1 A 33 33 LYS N N 33 117.343 117.563 -0.220 2
1 297 . 1 1 A 33 33 LYS H H 33 7.039 7.713 -0.674 2
1 298 . 1 1 A 33 33 LYS CA C 33 58.503 58.748 -0.245 2
1 299 . 1 1 A 33 33 LYS HA H 33 4.067 4.149 -0.082 2
1 300 . 1 1 A 33 33 LYS CB C 33 32.207 31.852 0.355 2
1 308 . 1 1 A 33 33 LYS C C 33 178.726 177.777 0.949 2
1 313 . 1 1 A 34 34 ILE N N 34 116.207 116.664 -0.457 2
1 314 . 1 1 A 34 34 ILE H H 34 7.787 7.756 0.031 2
1 315 . 1 1 A 34 34 ILE CA C 34 62.920 63.891 -0.971 2
1 316 . 1 1 A 34 34 ILE HA H 34 3.951 3.746 0.205 2
1 317 . 1 1 A 34 34 ILE CB C 34 37.707 37.079 0.628 2
1 329 . 1 1 A 34 34 ILE C C 34 177.373 177.299 0.074 2
1 331 . 1 1 A 35 35 HIS N N 35 117.836 119.831 -1.995 2
1 332 . 1 1 A 35 35 HIS H H 35 7.199 7.727 -0.528 2
1 333 . 1 1 A 35 35 HIS CA C 35 55.161 58.332 -3.171 2
1 334 . 1 1 A 35 35 HIS HA H 35 4.846 4.434 0.412 2
1 335 . 1 1 A 35 35 HIS CB C 35 28.503 30.520 -2.017 2
1 341 . 1 1 A 35 35 HIS C C 35 175.779 175.940 -0.161 2
1 343 . 1 1 A 36 36 THR N N 36 111.873 110.929 0.944 2
1 344 . 1 1 A 36 36 THR H H 36 7.764 7.603 0.161 2
1 345 . 1 1 A 36 36 THR CA C 36 62.503 61.921 0.582 2
1 346 . 1 1 A 36 36 THR HA H 36 4.321 4.341 -0.020 2
1 347 . 1 1 A 36 36 THR CB C 36 69.764 69.682 0.082 2
1 353 . 1 1 A 36 36 THR C C 36 175.480 174.534 0.946 2
1 354 . 1 1 A 37 37 GLY CA C 37 45.290 45.244 0.046 2
1 355 . 1 1 A 37 37 GLY HA2 H 37 3.948 4.032 -0.084 2
1 356 . 1 1 A 38 38 GLU N N 38 120.760 121.212 -0.452 2
1 357 . 1 1 A 38 38 GLU H H 38 8.217 8.366 -0.149 2
1 358 . 1 1 A 38 38 GLU CA C 38 56.439 55.640 0.799 2
1 359 . 1 1 A 38 38 GLU HA H 38 4.217 4.663 -0.446 2
1 360 . 1 1 A 38 38 GLU CB C 38 30.508 31.039 -0.531 2
1 364 . 1 1 A 38 38 GLU C C 38 176.214 175.128 1.086 2
1 367 . 1 1 A 39 39 LYS N N 39 123.748 121.481 2.267 2
1 368 . 1 1 A 39 39 LYS H H 39 8.367 8.274 0.093 2
1 369 . 1 1 A 39 39 LYS CA C 39 54.060 53.691 0.369 2
1 370 . 1 1 A 39 39 LYS HA H 39 4.579 4.800 -0.221 2
1 371 . 1 1 A 39 39 LYS CB C 39 32.498 34.271 -1.773 2
1 379 . 1 1 A 39 39 LYS C C 39 174.434 174.905 -0.471 2
1 384 . 1 1 A 40 40 PRO CA C 40 63.176 63.304 -0.128 2
1 385 . 1 1 A 40 40 PRO HA H 40 4.425 4.546 -0.121 2
1 386 . 1 1 A 40 40 PRO CB C 40 32.185 31.917 0.268 2
1 395 . 1 1 A 41 41 SER N N 41 116.530 115.941 0.589 2
1 396 . 1 1 A 41 41 SER H H 41 8.478 8.332 0.146 2
1 397 . 1 1 A 43 43 PRO CA C 43 63.216 63.420 -0.204 2
1 398 . 1 1 A 43 43 PRO HA H 43 4.443 4.536 -0.093 2
1 399 . 1 1 A 43 43 PRO CB C 43 32.152 31.688 0.464 2
1 408 . 1 1 A 45 45 SER CA C 45 58.350 58.963 -0.613 2
1 409 . 1 1 A 45 45 SER HA H 45 4.462 4.537 -0.075 2
1 410 . 1 1 A 45 45 SER CB C 45 63.976 63.855 0.121 2
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