data_10155_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10155
_Entry.PDB_ID 2EP2
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY CA C 7 45.470 46.977 -1.507 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 4.008 3.913 0.095 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 4.008 3.914 0.094 1
1 4 . 1 1 1 A 7 7 GLY C C 7 174.519 174.455 0.064 1
1 5 . 1 1 1 A 8 8 THR N N 8 112.809 111.569 1.240 1
1 6 . 1 1 1 A 8 8 THR H H 8 8.167 8.290 -0.123 1
1 7 . 1 1 1 A 8 8 THR CA C 8 61.860 63.138 -1.278 1
1 8 . 1 1 1 A 8 8 THR HA H 8 4.388 4.425 -0.037 1
1 9 . 1 1 1 A 8 8 THR CB C 8 69.699 71.093 -1.394 1
1 15 . 1 1 1 A 8 8 THR C C 8 175.277 175.019 0.258 1
1 16 . 1 1 1 A 9 9 GLY CA C 9 45.306 45.314 -0.008 1
1 17 . 1 1 1 A 9 9 GLY HA2 H 9 3.979 4.037 -0.058 1
1 18 . 1 1 1 A 9 9 GLY HA3 H 9 3.938 4.038 -0.100 1
1 19 . 1 1 1 A 9 9 GLY C C 9 174.001 174.945 -0.944 1
1 20 . 1 1 1 A 10 10 GLU N N 10 120.420 119.844 0.576 1
1 21 . 1 1 1 A 10 10 GLU H H 10 8.230 7.861 0.369 1
1 22 . 1 1 1 A 10 10 GLU CA C 10 56.759 57.015 -0.256 1
1 23 . 1 1 1 A 10 10 GLU HA H 10 4.223 4.246 -0.023 1
1 24 . 1 1 1 A 10 10 GLU CB C 10 30.471 30.334 0.137 1
1 30 . 1 1 1 A 10 10 GLU C C 10 176.269 176.999 -0.730 1
1 31 . 1 1 1 A 11 11 LYS N N 11 122.538 121.911 0.627 1
1 32 . 1 1 1 A 11 11 LYS H H 11 8.294 8.335 -0.041 1
1 33 . 1 1 1 A 11 11 LYS CA C 11 53.942 55.314 -1.372 1
1 34 . 1 1 1 A 11 11 LYS HA H 11 4.522 4.266 0.256 1
1 35 . 1 1 1 A 11 11 LYS CB C 11 32.707 32.145 0.562 1
1 47 . 1 1 1 A 11 11 LYS C C 11 174.065 176.792 -2.727 1
1 48 . 1 1 1 A 12 12 PRO CA C 12 63.244 64.267 -1.023 1
1 49 . 1 1 1 A 12 12 PRO HA H 12 4.306 4.307 -0.001 1
1 50 . 1 1 1 A 12 12 PRO CB C 12 32.290 31.281 1.009 1
1 59 . 1 1 1 A 12 12 PRO C C 12 176.129 175.742 0.387 1
1 60 . 1 1 1 A 13 13 TYR N N 13 118.690 118.333 0.357 1
1 61 . 1 1 1 A 13 13 TYR H H 13 8.094 7.526 0.568 1
1 62 . 1 1 1 A 13 13 TYR CA C 13 57.656 56.696 0.960 1
1 63 . 1 1 1 A 13 13 TYR HA H 13 4.596 5.268 -0.672 1
1 64 . 1 1 1 A 13 13 TYR CB C 13 38.758 40.184 -1.426 1
1 75 . 1 1 1 A 13 13 TYR C C 13 174.523 174.189 0.334 1
1 76 . 1 1 1 A 14 14 GLU N N 14 124.311 125.603 -1.292 1
1 77 . 1 1 1 A 14 14 GLU H H 14 8.612 9.167 -0.555 1
1 78 . 1 1 1 A 14 14 GLU CA C 14 54.972 54.764 0.208 1
1 79 . 1 1 1 A 14 14 GLU HA H 14 4.858 5.277 -0.419 1
1 80 . 1 1 1 A 14 14 GLU CB C 14 33.017 32.889 0.128 1
1 86 . 1 1 1 A 14 14 GLU C C 14 175.370 175.730 -0.360 1
1 87 . 1 1 1 A 15 15 CYS N N 15 126.829 126.255 0.574 1
1 88 . 1 1 1 A 15 15 CYS H H 15 9.299 9.278 0.021 1
1 89 . 1 1 1 A 15 15 CYS CA C 15 59.489 60.046 -0.557 1
1 90 . 1 1 1 A 15 15 CYS HA H 15 4.615 4.625 -0.010 1
1 91 . 1 1 1 A 15 15 CYS CB C 15 29.588 28.832 0.756 1
1 94 . 1 1 1 A 15 15 CYS C C 15 177.251 174.808 2.443 1
1 95 . 1 1 1 A 16 16 SER CA C 16 60.823 60.113 0.710 1
1 96 . 1 1 1 A 16 16 SER HA H 16 4.324 4.578 -0.254 1
1 97 . 1 1 1 A 16 16 SER CB C 16 63.099 63.989 -0.890 1
1 100 . 1 1 1 A 16 16 SER C C 16 174.225 175.735 -1.510 1
1 101 . 1 1 1 A 17 17 ILE N N 17 123.696 121.476 2.220 1
1 102 . 1 1 1 A 17 17 ILE H H 17 8.607 7.486 1.121 1
1 103 . 1 1 1 A 17 17 ILE CA C 17 63.401 64.992 -1.591 1
1 104 . 1 1 1 A 17 17 ILE HA H 17 3.927 3.458 0.469 1
1 105 . 1 1 1 A 17 17 ILE CB C 17 38.358 38.165 0.193 1
1 118 . 1 1 1 A 17 17 ILE C C 17 176.969 177.545 -0.576 1
1 119 . 1 1 1 A 18 18 CYS N N 18 115.697 115.576 0.121 1
1 120 . 1 1 1 A 18 18 CYS H H 18 8.021 7.691 0.330 1
1 121 . 1 1 1 A 18 18 CYS CA C 18 58.229 59.496 -1.267 1
1 122 . 1 1 1 A 18 18 CYS HA H 18 5.203 4.554 0.649 1
1 123 . 1 1 1 A 18 18 CYS CB C 18 32.739 29.469 3.270 1
1 126 . 1 1 1 A 18 18 CYS C C 18 176.506 175.237 1.269 1
1 127 . 1 1 1 A 19 19 GLY N N 19 113.451 110.320 3.131 1
1 128 . 1 1 1 A 19 19 GLY H H 19 8.148 8.207 -0.059 1
1 129 . 1 1 1 A 19 19 GLY CA C 19 46.236 45.076 1.160 1
1 130 . 1 1 1 A 19 19 GLY HA2 H 19 3.894 4.052 -0.158 1
1 131 . 1 1 1 A 19 19 GLY HA3 H 19 4.247 4.068 0.179 1
1 132 . 1 1 1 A 19 19 GLY C C 19 173.836 174.640 -0.804 1
1 133 . 1 1 1 A 20 20 LYS N N 20 122.918 120.746 2.172 1
1 134 . 1 1 1 A 20 20 LYS H H 20 7.971 7.398 0.573 1
1 135 . 1 1 1 A 20 20 LYS CA C 20 57.991 56.117 1.874 1
1 136 . 1 1 1 A 20 20 LYS HA H 20 4.043 4.280 -0.237 1
1 137 . 1 1 1 A 20 20 LYS CB C 20 33.587 34.118 -0.531 1
1 149 . 1 1 1 A 20 20 LYS C C 20 174.295 175.600 -1.305 1
1 150 . 1 1 1 A 21 21 SER N N 21 115.357 112.389 2.968 1
1 151 . 1 1 1 A 21 21 SER H H 21 7.819 8.262 -0.443 1
1 152 . 1 1 1 A 21 21 SER CA C 21 56.697 56.266 0.431 1
1 153 . 1 1 1 A 21 21 SER HA H 21 5.301 5.446 -0.145 1
1 154 . 1 1 1 A 21 21 SER CB C 21 66.038 66.214 -0.176 1
1 157 . 1 1 1 A 21 21 SER C C 21 173.121 173.309 -0.188 1
1 158 . 1 1 1 A 22 22 PHE N N 22 118.204 118.528 -0.324 1
1 159 . 1 1 1 A 22 22 PHE H H 22 8.662 9.051 -0.389 1
1 160 . 1 1 1 A 22 22 PHE CA C 22 57.284 56.765 0.519 1
1 161 . 1 1 1 A 22 22 PHE HA H 22 4.810 4.928 -0.118 1
1 162 . 1 1 1 A 22 22 PHE CB C 22 43.860 43.136 0.724 1
1 175 . 1 1 1 A 22 22 PHE C C 22 175.380 175.638 -0.258 1
1 176 . 1 1 1 A 23 23 THR N N 23 114.460 115.003 -0.543 1
1 177 . 1 1 1 A 23 23 THR H H 23 8.904 8.662 0.242 1
1 178 . 1 1 1 A 23 23 THR CA C 23 64.664 63.314 1.350 1
1 179 . 1 1 1 A 23 23 THR HA H 23 4.429 4.493 -0.064 1
1 180 . 1 1 1 A 23 23 THR CB C 23 69.577 69.094 0.483 1
1 186 . 1 1 1 A 23 23 THR C C 23 174.705 174.799 -0.094 1
1 187 . 1 1 1 A 24 24 LYS N N 24 117.025 122.025 -5.000 1
1 188 . 1 1 1 A 24 24 LYS H H 24 7.637 7.604 0.033 1
1 189 . 1 1 1 A 24 24 LYS CA C 24 54.289 54.959 -0.670 1
1 190 . 1 1 1 A 24 24 LYS HA H 24 4.858 4.548 0.310 1
1 191 . 1 1 1 A 24 24 LYS CB C 24 35.986 33.754 2.232 1
1 203 . 1 1 1 A 24 24 LYS C C 24 176.551 176.213 0.338 1
1 204 . 1 1 1 A 25 25 LYS N N 25 127.352 127.064 0.288 1
1 205 . 1 1 1 A 25 25 LYS H H 25 8.516 8.209 0.307 1
1 206 . 1 1 1 A 25 25 LYS CA C 25 59.682 59.594 0.088 1
1 207 . 1 1 1 A 25 25 LYS HA H 25 2.925 2.774 0.151 1
1 208 . 1 1 1 A 25 25 LYS CB C 25 31.703 31.789 -0.086 1
1 220 . 1 1 1 A 25 25 LYS C C 25 178.182 177.976 0.206 1
1 221 . 1 1 1 A 26 26 SER CA C 26 60.759 61.520 -0.761 1
1 222 . 1 1 1 A 26 26 SER HA H 26 4.015 3.746 0.269 1
1 223 . 1 1 1 A 26 26 SER CB C 26 61.414 62.396 -0.982 1
1 226 . 1 1 1 A 26 26 SER C C 26 176.943 176.560 0.383 1
1 227 . 1 1 1 A 27 27 GLN N N 27 120.004 120.989 -0.985 1
1 228 . 1 1 1 A 27 27 GLN H H 27 6.690 7.987 -1.297 1
1 229 . 1 1 1 A 27 27 GLN CA C 27 57.577 59.138 -1.561 1
1 230 . 1 1 1 A 27 27 GLN HA H 27 3.973 3.875 0.098 1
1 231 . 1 1 1 A 27 27 GLN CB C 27 28.433 28.199 0.234 1
1 240 . 1 1 1 A 27 27 GLN C C 27 178.831 178.205 0.626 1
1 241 . 1 1 1 A 28 28 LEU N N 28 121.687 121.355 0.332 1
1 242 . 1 1 1 A 28 28 LEU H H 28 6.973 7.484 -0.511 1
1 243 . 1 1 1 A 28 28 LEU CA C 28 57.775 57.669 0.106 1
1 244 . 1 1 1 A 28 28 LEU HA H 28 3.277 3.140 0.137 1
1 245 . 1 1 1 A 28 28 LEU CB C 28 40.177 41.718 -1.541 1
1 258 . 1 1 1 A 28 28 LEU C C 28 177.514 178.427 -0.913 1
1 259 . 1 1 1 A 29 29 HIS N N 29 118.184 118.040 0.144 1
1 260 . 1 1 1 A 29 29 HIS H H 29 8.049 8.158 -0.109 1
1 261 . 1 1 1 A 29 29 HIS CA C 29 59.106 59.014 0.092 1
1 262 . 1 1 1 A 29 29 HIS HA H 29 4.409 4.137 0.272 1
1 263 . 1 1 1 A 29 29 HIS CB C 29 30.059 30.087 -0.028 1
1 270 . 1 1 1 A 29 29 HIS C C 29 178.350 177.628 0.722 1
1 271 . 1 1 1 A 30 30 VAL N N 30 118.277 119.036 -0.759 1
1 272 . 1 1 1 A 30 30 VAL H H 30 7.513 7.935 -0.422 1
1 273 . 1 1 1 A 30 30 VAL CA C 30 66.146 66.291 -0.145 1
1 274 . 1 1 1 A 30 30 VAL HA H 30 3.665 3.738 -0.073 1
1 275 . 1 1 1 A 30 30 VAL CB C 30 32.158 31.469 0.689 1
1 285 . 1 1 1 A 30 30 VAL C C 30 178.807 178.180 0.627 1
1 286 . 1 1 1 A 31 31 HIS N N 31 119.980 119.310 0.670 1
1 287 . 1 1 1 A 31 31 HIS H H 31 7.606 8.293 -0.687 1
1 288 . 1 1 1 A 31 31 HIS CA C 31 59.357 59.990 -0.633 1
1 289 . 1 1 1 A 31 31 HIS HA H 31 4.165 4.029 0.136 1
1 290 . 1 1 1 A 31 31 HIS CB C 31 28.519 29.307 -0.788 1
1 297 . 1 1 1 A 31 31 HIS C C 31 176.287 176.419 -0.132 1
1 298 . 1 1 1 A 32 32 GLN N N 32 114.428 117.012 -2.584 1
1 299 . 1 1 1 A 32 32 GLN H H 32 8.425 8.506 -0.081 1
1 300 . 1 1 1 A 32 32 GLN CA C 32 59.301 59.250 0.051 1
1 301 . 1 1 1 A 32 32 GLN HA H 32 3.688 3.662 0.026 1
1 302 . 1 1 1 A 32 32 GLN CB C 32 28.202 28.169 0.033 1
1 311 . 1 1 1 A 32 32 GLN C C 32 177.554 178.285 -0.731 1
1 312 . 1 1 1 A 33 33 GLN N N 33 117.108 118.430 -1.322 1
1 313 . 1 1 1 A 33 33 GLN H H 33 7.239 7.875 -0.636 1
1 314 . 1 1 1 A 33 33 GLN CA C 33 57.802 59.074 -1.272 1
1 315 . 1 1 1 A 33 33 GLN HA H 33 4.073 3.851 0.222 1
1 316 . 1 1 1 A 33 33 GLN CB C 33 28.374 28.012 0.362 1
1 325 . 1 1 1 A 33 33 GLN C C 33 178.214 178.364 -0.150 1
1 326 . 1 1 1 A 34 34 ILE N N 34 116.246 121.376 -5.130 1
1 327 . 1 1 1 A 34 34 ILE H H 34 7.802 7.981 -0.179 1
1 328 . 1 1 1 A 34 34 ILE CA C 34 63.058 63.312 -0.254 1
1 329 . 1 1 1 A 34 34 ILE HA H 34 3.997 3.649 0.348 1
1 330 . 1 1 1 A 34 34 ILE CB C 34 37.744 37.502 0.242 1
1 343 . 1 1 1 A 34 34 ILE C C 34 177.303 176.799 0.504 1
1 344 . 1 1 1 A 35 35 HIS N N 35 117.300 118.533 -1.233 1
1 345 . 1 1 1 A 35 35 HIS H H 35 7.168 7.700 -0.532 1
1 346 . 1 1 1 A 35 35 HIS CA C 35 55.082 54.733 0.349 1
1 347 . 1 1 1 A 35 35 HIS HA H 35 4.902 4.705 0.197 1
1 348 . 1 1 1 A 35 35 HIS CB C 35 28.700 28.215 0.485 1
1 355 . 1 1 1 A 35 35 HIS C C 35 175.645 175.454 0.191 1
1 356 . 1 1 1 A 36 36 THR N N 36 112.636 115.123 -2.487 1
1 357 . 1 1 1 A 36 36 THR H H 36 7.742 7.582 0.160 1
1 358 . 1 1 1 A 36 36 THR CA C 36 62.837 60.964 1.873 1
1 359 . 1 1 1 A 36 36 THR HA H 36 4.303 4.500 -0.197 1
1 360 . 1 1 1 A 36 36 THR CB C 36 69.713 69.394 0.319 1
1 366 . 1 1 1 A 36 36 THR C C 36 175.349 175.074 0.275 1
1 367 . 1 1 1 A 37 37 GLY N N 37 110.952 111.032 -0.080 1
1 368 . 1 1 1 A 37 37 GLY H H 37 8.329 7.800 0.529 1
1 369 . 1 1 1 A 37 37 GLY CA C 37 45.353 46.038 -0.685 1
1 370 . 1 1 1 A 37 37 GLY HA2 H 37 4.000 4.054 -0.054 1
1 371 . 1 1 1 A 37 37 GLY HA3 H 37 4.000 4.059 -0.059 1
1 372 . 1 1 1 A 37 37 GLY C C 37 174.021 174.629 -0.608 1
1 373 . 1 1 1 A 38 38 GLU N N 38 120.547 120.418 0.129 1
1 374 . 1 1 1 A 38 38 GLU H H 38 8.063 7.996 0.067 1
1 375 . 1 1 1 A 38 38 GLU CA C 38 56.431 57.358 -0.927 1
1 376 . 1 1 1 A 38 38 GLU HA H 38 4.270 4.307 -0.037 1
1 377 . 1 1 1 A 38 38 GLU CB C 38 30.563 30.436 0.127 1
1 383 . 1 1 1 A 38 38 GLU C C 38 176.207 175.859 0.348 1
1 384 . 1 1 1 A 39 39 LYS N N 39 123.687 122.899 0.788 1
1 385 . 1 1 1 A 39 39 LYS H H 39 8.412 8.415 -0.003 1
1 386 . 1 1 1 A 39 39 LYS CA C 39 54.062 53.206 0.856 1
1 387 . 1 1 1 A 39 39 LYS HA H 39 4.621 4.883 -0.262 1
1 388 . 1 1 1 A 39 39 LYS CB C 39 32.571 35.222 -2.651 1
1 400 . 1 1 1 A 39 39 LYS C C 39 174.427 175.861 -1.434 1
1 401 . 1 1 1 A 40 40 PRO CA C 40 63.207 64.633 -1.426 1
1 402 . 1 1 1 A 40 40 PRO HA H 40 4.475 4.410 0.065 1
1 403 . 1 1 1 A 40 40 PRO CB C 40 32.205 32.235 -0.030 1
1 412 . 1 1 1 A 41 41 SER N N 41 116.537 112.006 4.531 1
1 413 . 1 1 1 A 41 41 SER H H 41 8.491 7.863 0.628 1
1 414 . 1 1 1 A 42 42 GLY CA C 42 44.661 47.363 -2.702 1
1 415 . 1 1 1 A 42 42 GLY HA2 H 42 4.174 3.892 0.282 1
1 416 . 1 1 1 A 42 42 GLY HA3 H 42 4.114 3.892 0.222 1
1 417 . 1 1 1 A 43 43 PRO CA C 43 63.206 62.896 0.310 1
1 418 . 1 1 1 A 43 43 PRO HA H 43 4.479 4.583 -0.104 1
1 419 . 1 1 1 A 43 43 PRO CB C 43 32.187 32.073 0.114 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.470 44.344 1.126 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 4.008 4.160 -0.152 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 4.008 4.160 -0.152 1
1 4 . 2 1 1 A 7 7 GLY C C 7 174.519 173.144 1.375 1
1 5 . 2 1 1 A 8 8 THR N N 8 112.809 115.529 -2.720 1
1 6 . 2 1 1 A 8 8 THR H H 8 8.167 8.329 -0.162 1
1 7 . 2 1 1 A 8 8 THR CA C 8 61.860 62.412 -0.552 1
1 8 . 2 1 1 A 8 8 THR HA H 8 4.388 4.463 -0.075 1
1 9 . 2 1 1 A 8 8 THR CB C 8 69.699 69.056 0.643 1
1 15 . 2 1 1 A 8 8 THR C C 8 175.277 174.032 1.245 1
1 16 . 2 1 1 A 9 9 GLY CA C 9 45.306 46.153 -0.847 1
1 17 . 2 1 1 A 9 9 GLY HA2 H 9 3.979 4.114 -0.135 1
1 18 . 2 1 1 A 9 9 GLY HA3 H 9 3.938 4.115 -0.177 1
1 19 . 2 1 1 A 9 9 GLY C C 9 174.001 173.169 0.832 1
1 20 . 2 1 1 A 10 10 GLU N N 10 120.420 120.085 0.335 1
1 21 . 2 1 1 A 10 10 GLU H H 10 8.230 7.956 0.274 1
1 22 . 2 1 1 A 10 10 GLU CA C 10 56.759 56.319 0.440 1
1 23 . 2 1 1 A 10 10 GLU HA H 10 4.223 4.364 -0.141 1
1 24 . 2 1 1 A 10 10 GLU CB C 10 30.471 30.084 0.387 1
1 30 . 2 1 1 A 10 10 GLU C C 10 176.269 176.055 0.214 1
1 31 . 2 1 1 A 11 11 LYS N N 11 122.538 122.710 -0.172 1
1 32 . 2 1 1 A 11 11 LYS H H 11 8.294 8.456 -0.162 1
1 33 . 2 1 1 A 11 11 LYS CA C 11 53.942 55.093 -1.151 1
1 34 . 2 1 1 A 11 11 LYS HA H 11 4.522 4.266 0.256 1
1 35 . 2 1 1 A 11 11 LYS CB C 11 32.707 31.875 0.832 1
1 47 . 2 1 1 A 11 11 LYS C C 11 174.065 176.888 -2.823 1
1 48 . 2 1 1 A 12 12 PRO CA C 12 63.244 64.951 -1.707 1
1 49 . 2 1 1 A 12 12 PRO HA H 12 4.306 4.261 0.045 1
1 50 . 2 1 1 A 12 12 PRO CB C 12 32.290 31.513 0.777 1
1 59 . 2 1 1 A 12 12 PRO C C 12 176.129 175.922 0.207 1
1 60 . 2 1 1 A 13 13 TYR N N 13 118.690 118.020 0.670 1
1 61 . 2 1 1 A 13 13 TYR H H 13 8.094 7.317 0.777 1
1 62 . 2 1 1 A 13 13 TYR CA C 13 57.656 57.385 0.271 1
1 63 . 2 1 1 A 13 13 TYR HA H 13 4.596 5.090 -0.494 1
1 64 . 2 1 1 A 13 13 TYR CB C 13 38.758 40.296 -1.538 1
1 75 . 2 1 1 A 13 13 TYR C C 13 174.523 174.671 -0.148 1
1 76 . 2 1 1 A 14 14 GLU N N 14 124.311 123.513 0.798 1
1 77 . 2 1 1 A 14 14 GLU H H 14 8.612 9.101 -0.489 1
1 78 . 2 1 1 A 14 14 GLU CA C 14 54.972 54.966 0.006 1
1 79 . 2 1 1 A 14 14 GLU HA H 14 4.858 5.278 -0.420 1
1 80 . 2 1 1 A 14 14 GLU CB C 14 33.017 33.443 -0.426 1
1 86 . 2 1 1 A 14 14 GLU C C 14 175.370 174.873 0.497 1
1 87 . 2 1 1 A 15 15 CYS N N 15 126.829 125.595 1.234 1
1 88 . 2 1 1 A 15 15 CYS H H 15 9.299 9.276 0.023 1
1 89 . 2 1 1 A 15 15 CYS CA C 15 59.489 59.547 -0.058 1
1 90 . 2 1 1 A 15 15 CYS HA H 15 4.615 4.772 -0.157 1
1 91 . 2 1 1 A 15 15 CYS CB C 15 29.588 28.927 0.661 1
1 94 . 2 1 1 A 15 15 CYS C C 15 177.251 176.241 1.010 1
1 95 . 2 1 1 A 16 16 SER CA C 16 60.823 59.365 1.458 1
1 96 . 2 1 1 A 16 16 SER HA H 16 4.324 4.373 -0.049 1
1 97 . 2 1 1 A 16 16 SER CB C 16 63.099 64.154 -1.055 1
1 100 . 2 1 1 A 16 16 SER C C 16 174.225 176.531 -2.306 1
1 101 . 2 1 1 A 17 17 ILE N N 17 123.696 122.668 1.028 1
1 102 . 2 1 1 A 17 17 ILE H H 17 8.607 7.413 1.194 1
1 103 . 2 1 1 A 17 17 ILE CA C 17 63.401 64.997 -1.596 1
1 104 . 2 1 1 A 17 17 ILE HA H 17 3.927 3.460 0.467 1
1 105 . 2 1 1 A 17 17 ILE CB C 17 38.358 37.490 0.868 1
1 118 . 2 1 1 A 17 17 ILE C C 17 176.969 177.577 -0.608 1
1 119 . 2 1 1 A 18 18 CYS N N 18 115.697 115.705 -0.008 1
1 120 . 2 1 1 A 18 18 CYS H H 18 8.021 7.396 0.625 1
1 121 . 2 1 1 A 18 18 CYS CA C 18 58.229 59.635 -1.406 1
1 122 . 2 1 1 A 18 18 CYS HA H 18 5.203 4.627 0.576 1
1 123 . 2 1 1 A 18 18 CYS CB C 18 32.739 29.568 3.171 1
1 126 . 2 1 1 A 18 18 CYS C C 18 176.506 175.332 1.174 1
1 127 . 2 1 1 A 19 19 GLY N N 19 113.451 110.377 3.074 1
1 128 . 2 1 1 A 19 19 GLY H H 19 8.148 8.224 -0.076 1
1 129 . 2 1 1 A 19 19 GLY CA C 19 46.236 45.236 1.000 1
1 130 . 2 1 1 A 19 19 GLY HA2 H 19 3.894 4.059 -0.165 1
1 131 . 2 1 1 A 19 19 GLY HA3 H 19 4.247 4.074 0.173 1
1 132 . 2 1 1 A 19 19 GLY C C 19 173.836 174.573 -0.737 1
1 133 . 2 1 1 A 20 20 LYS N N 20 122.918 120.321 2.597 1
1 134 . 2 1 1 A 20 20 LYS H H 20 7.971 7.322 0.649 1
1 135 . 2 1 1 A 20 20 LYS CA C 20 57.991 55.663 2.328 1
1 136 . 2 1 1 A 20 20 LYS HA H 20 4.043 4.402 -0.359 1
1 137 . 2 1 1 A 20 20 LYS CB C 20 33.587 34.486 -0.899 1
1 149 . 2 1 1 A 20 20 LYS C C 20 174.295 175.401 -1.106 1
1 150 . 2 1 1 A 21 21 SER N N 21 115.357 112.041 3.316 1
1 151 . 2 1 1 A 21 21 SER H H 21 7.819 8.151 -0.332 1
1 152 . 2 1 1 A 21 21 SER CA C 21 56.697 56.450 0.247 1
1 153 . 2 1 1 A 21 21 SER HA H 21 5.301 5.342 -0.041 1
1 154 . 2 1 1 A 21 21 SER CB C 21 66.038 65.764 0.274 1
1 157 . 2 1 1 A 21 21 SER C C 21 173.121 173.004 0.117 1
1 158 . 2 1 1 A 22 22 PHE N N 22 118.204 119.511 -1.307 1
1 159 . 2 1 1 A 22 22 PHE H H 22 8.662 9.341 -0.679 1
1 160 . 2 1 1 A 22 22 PHE CA C 22 57.284 56.734 0.550 1
1 161 . 2 1 1 A 22 22 PHE HA H 22 4.810 5.010 -0.200 1
1 162 . 2 1 1 A 22 22 PHE CB C 22 43.860 43.509 0.351 1
1 175 . 2 1 1 A 22 22 PHE C C 22 175.380 175.260 0.120 1
1 176 . 2 1 1 A 23 23 THR N N 23 114.460 112.807 1.653 1
1 177 . 2 1 1 A 23 23 THR H H 23 8.904 8.703 0.201 1
1 178 . 2 1 1 A 23 23 THR CA C 23 64.664 61.921 2.743 1
1 179 . 2 1 1 A 23 23 THR HA H 23 4.429 4.782 -0.353 1
1 180 . 2 1 1 A 23 23 THR CB C 23 69.577 69.048 0.529 1
1 186 . 2 1 1 A 23 23 THR C C 23 174.705 173.928 0.777 1
1 187 . 2 1 1 A 24 24 LYS N N 24 117.025 120.936 -3.911 1
1 188 . 2 1 1 A 24 24 LYS H H 24 7.637 7.567 0.070 1
1 189 . 2 1 1 A 24 24 LYS CA C 24 54.289 54.681 -0.392 1
1 190 . 2 1 1 A 24 24 LYS HA H 24 4.858 4.528 0.330 1
1 191 . 2 1 1 A 24 24 LYS CB C 24 35.986 34.505 1.481 1
1 203 . 2 1 1 A 24 24 LYS C C 24 176.551 176.009 0.542 1
1 204 . 2 1 1 A 25 25 LYS N N 25 127.352 126.912 0.440 1
1 205 . 2 1 1 A 25 25 LYS H H 25 8.516 8.283 0.233 1
1 206 . 2 1 1 A 25 25 LYS CA C 25 59.682 59.438 0.244 1
1 207 . 2 1 1 A 25 25 LYS HA H 25 2.925 2.811 0.114 1
1 208 . 2 1 1 A 25 25 LYS CB C 25 31.703 31.777 -0.074 1
1 220 . 2 1 1 A 25 25 LYS C C 25 178.182 177.559 0.623 1
1 221 . 2 1 1 A 26 26 SER CA C 26 60.759 60.913 -0.154 1
1 222 . 2 1 1 A 26 26 SER HA H 26 4.015 3.942 0.073 1
1 223 . 2 1 1 A 26 26 SER CB C 26 61.414 62.397 -0.983 1
1 226 . 2 1 1 A 26 26 SER C C 26 176.943 176.843 0.100 1
1 227 . 2 1 1 A 27 27 GLN N N 27 120.004 121.580 -1.576 1
1 228 . 2 1 1 A 27 27 GLN H H 27 6.690 7.994 -1.304 1
1 229 . 2 1 1 A 27 27 GLN CA C 27 57.577 58.873 -1.296 1
1 230 . 2 1 1 A 27 27 GLN HA H 27 3.973 3.857 0.116 1
1 231 . 2 1 1 A 27 27 GLN CB C 27 28.433 28.025 0.408 1
1 240 . 2 1 1 A 27 27 GLN C C 27 178.831 178.074 0.757 1
1 241 . 2 1 1 A 28 28 LEU N N 28 121.687 121.215 0.472 1
1 242 . 2 1 1 A 28 28 LEU H H 28 6.973 7.306 -0.333 1
1 243 . 2 1 1 A 28 28 LEU CA C 28 57.775 57.809 -0.034 1
1 244 . 2 1 1 A 28 28 LEU HA H 28 3.277 3.394 -0.117 1
1 245 . 2 1 1 A 28 28 LEU CB C 28 40.177 41.914 -1.737 1
1 258 . 2 1 1 A 28 28 LEU C C 28 177.514 178.522 -1.008 1
1 259 . 2 1 1 A 29 29 HIS N N 29 118.184 117.805 0.379 1
1 260 . 2 1 1 A 29 29 HIS H H 29 8.049 8.230 -0.181 1
1 261 . 2 1 1 A 29 29 HIS CA C 29 59.106 59.220 -0.114 1
1 262 . 2 1 1 A 29 29 HIS HA H 29 4.409 4.212 0.197 1
1 263 . 2 1 1 A 29 29 HIS CB C 29 30.059 30.029 0.030 1
1 270 . 2 1 1 A 29 29 HIS C C 29 178.350 177.864 0.486 1
1 271 . 2 1 1 A 30 30 VAL N N 30 118.277 118.974 -0.697 1
1 272 . 2 1 1 A 30 30 VAL H H 30 7.513 8.154 -0.641 1
1 273 . 2 1 1 A 30 30 VAL CA C 30 66.146 66.096 0.050 1
1 274 . 2 1 1 A 30 30 VAL HA H 30 3.665 3.417 0.248 1
1 275 . 2 1 1 A 30 30 VAL CB C 30 32.158 31.567 0.591 1
1 285 . 2 1 1 A 30 30 VAL C C 30 178.807 177.969 0.838 1
1 286 . 2 1 1 A 31 31 HIS N N 31 119.980 119.560 0.420 1
1 287 . 2 1 1 A 31 31 HIS H H 31 7.606 8.117 -0.511 1
1 288 . 2 1 1 A 31 31 HIS CA C 31 59.357 60.010 -0.653 1
1 289 . 2 1 1 A 31 31 HIS HA H 31 4.165 4.125 0.040 1
1 290 . 2 1 1 A 31 31 HIS CB C 31 28.519 29.302 -0.783 1
1 297 . 2 1 1 A 31 31 HIS C C 31 176.287 176.915 -0.628 1
1 298 . 2 1 1 A 32 32 GLN N N 32 114.428 117.157 -2.729 1
1 299 . 2 1 1 A 32 32 GLN H H 32 8.425 8.308 0.117 1
1 300 . 2 1 1 A 32 32 GLN CA C 32 59.301 59.165 0.136 1
1 301 . 2 1 1 A 32 32 GLN HA H 32 3.688 3.726 -0.038 1
1 302 . 2 1 1 A 32 32 GLN CB C 32 28.202 28.162 0.040 1
1 311 . 2 1 1 A 32 32 GLN C C 32 177.554 178.549 -0.995 1
1 312 . 2 1 1 A 33 33 GLN N N 33 117.108 119.245 -2.137 1
1 313 . 2 1 1 A 33 33 GLN H H 33 7.239 7.486 -0.247 1
1 314 . 2 1 1 A 33 33 GLN CA C 33 57.802 58.931 -1.129 1
1 315 . 2 1 1 A 33 33 GLN HA H 33 4.073 3.931 0.142 1
1 316 . 2 1 1 A 33 33 GLN CB C 33 28.374 27.973 0.401 1
1 325 . 2 1 1 A 33 33 GLN C C 33 178.214 178.953 -0.739 1
1 326 . 2 1 1 A 34 34 ILE N N 34 116.246 120.274 -4.028 1
1 327 . 2 1 1 A 34 34 ILE H H 34 7.802 8.156 -0.354 1
1 328 . 2 1 1 A 34 34 ILE CA C 34 63.058 63.198 -0.140 1
1 329 . 2 1 1 A 34 34 ILE HA H 34 3.997 3.758 0.239 1
1 330 . 2 1 1 A 34 34 ILE CB C 34 37.744 37.556 0.188 1
1 343 . 2 1 1 A 34 34 ILE C C 34 177.303 177.189 0.114 1
1 344 . 2 1 1 A 35 35 HIS N N 35 117.300 117.311 -0.011 1
1 345 . 2 1 1 A 35 35 HIS H H 35 7.168 7.450 -0.282 1
1 346 . 2 1 1 A 35 35 HIS CA C 35 55.082 58.374 -3.292 1
1 347 . 2 1 1 A 35 35 HIS HA H 35 4.902 4.435 0.467 1
1 348 . 2 1 1 A 35 35 HIS CB C 35 28.700 31.012 -2.312 1
1 355 . 2 1 1 A 35 35 HIS C C 35 175.645 176.292 -0.647 1
1 356 . 2 1 1 A 36 36 THR N N 36 112.636 112.454 0.182 1
1 357 . 2 1 1 A 36 36 THR H H 36 7.742 7.534 0.208 1
1 358 . 2 1 1 A 36 36 THR CA C 36 62.837 61.011 1.826 1
1 359 . 2 1 1 A 36 36 THR HA H 36 4.303 4.429 -0.126 1
1 360 . 2 1 1 A 36 36 THR CB C 36 69.713 68.412 1.301 1
1 366 . 2 1 1 A 36 36 THR C C 36 175.349 174.095 1.254 1
1 367 . 2 1 1 A 37 37 GLY N N 37 110.952 116.229 -5.277 1
1 368 . 2 1 1 A 37 37 GLY H H 37 8.329 9.040 -0.711 1
1 369 . 2 1 1 A 37 37 GLY CA C 37 45.353 46.596 -1.243 1
1 370 . 2 1 1 A 37 37 GLY HA2 H 37 4.000 3.965 0.035 1
1 371 . 2 1 1 A 37 37 GLY HA3 H 37 4.000 3.966 0.034 1
1 372 . 2 1 1 A 37 37 GLY C C 37 174.021 173.127 0.894 1
1 373 . 2 1 1 A 38 38 GLU N N 38 120.547 119.974 0.573 1
1 374 . 2 1 1 A 38 38 GLU H H 38 8.063 8.013 0.050 1
1 375 . 2 1 1 A 38 38 GLU CA C 38 56.431 55.144 1.287 1
1 376 . 2 1 1 A 38 38 GLU HA H 38 4.270 4.797 -0.527 1
1 377 . 2 1 1 A 38 38 GLU CB C 38 30.563 30.341 0.222 1
1 383 . 2 1 1 A 38 38 GLU C C 38 176.207 175.403 0.804 1
1 384 . 2 1 1 A 39 39 LYS N N 39 123.687 124.534 -0.847 1
1 385 . 2 1 1 A 39 39 LYS H H 39 8.412 8.439 -0.027 1
1 386 . 2 1 1 A 39 39 LYS CA C 39 54.062 55.234 -1.172 1
1 387 . 2 1 1 A 39 39 LYS HA H 39 4.621 4.340 0.281 1
1 388 . 2 1 1 A 39 39 LYS CB C 39 32.571 32.383 0.188 1
1 400 . 2 1 1 A 39 39 LYS C C 39 174.427 175.899 -1.472 1
1 401 . 2 1 1 A 40 40 PRO CA C 40 63.207 62.273 0.934 1
1 402 . 2 1 1 A 40 40 PRO HA H 40 4.475 4.590 -0.115 1
1 403 . 2 1 1 A 40 40 PRO CB C 40 32.205 32.809 -0.604 1
1 412 . 2 1 1 A 41 41 SER N N 41 116.537 117.414 -0.877 1
1 413 . 2 1 1 A 41 41 SER H H 41 8.491 8.473 0.018 1
1 414 . 2 1 1 A 42 42 GLY CA C 42 44.661 46.758 -2.097 1
1 415 . 2 1 1 A 42 42 GLY HA2 H 42 4.174 4.009 0.165 1
1 416 . 2 1 1 A 42 42 GLY HA3 H 42 4.114 4.009 0.105 1
1 417 . 2 1 1 A 43 43 PRO CA C 43 63.206 64.939 -1.733 1
1 418 . 2 1 1 A 43 43 PRO HA H 43 4.479 4.257 0.222 1
1 419 . 2 1 1 A 43 43 PRO CB C 43 32.187 31.743 0.444 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.470 44.912 0.558 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 4.008 4.036 -0.028 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 4.008 4.037 -0.029 1
1 4 . 3 1 1 A 7 7 GLY C C 7 174.519 174.459 0.060 1
1 5 . 3 1 1 A 8 8 THR N N 8 112.809 114.401 -1.592 1
1 6 . 3 1 1 A 8 8 THR H H 8 8.167 8.601 -0.434 1
1 7 . 3 1 1 A 8 8 THR CA C 8 61.860 61.781 0.079 1
1 8 . 3 1 1 A 8 8 THR HA H 8 4.388 4.499 -0.111 1
1 9 . 3 1 1 A 8 8 THR CB C 8 69.699 68.704 0.995 1
1 15 . 3 1 1 A 8 8 THR C C 8 175.277 174.493 0.784 1
1 16 . 3 1 1 A 9 9 GLY CA C 9 45.306 44.986 0.320 1
1 17 . 3 1 1 A 9 9 GLY HA2 H 9 3.979 3.961 0.018 1
1 18 . 3 1 1 A 9 9 GLY HA3 H 9 3.938 3.963 -0.025 1
1 19 . 3 1 1 A 9 9 GLY C C 9 174.001 174.355 -0.354 1
1 20 . 3 1 1 A 10 10 GLU N N 10 120.420 119.376 1.044 1
1 21 . 3 1 1 A 10 10 GLU H H 10 8.230 8.673 -0.443 1
1 22 . 3 1 1 A 10 10 GLU CA C 10 56.759 55.946 0.813 1
1 23 . 3 1 1 A 10 10 GLU HA H 10 4.223 4.581 -0.358 1
1 24 . 3 1 1 A 10 10 GLU CB C 10 30.471 29.949 0.522 1
1 30 . 3 1 1 A 10 10 GLU C C 10 176.269 174.831 1.438 1
1 31 . 3 1 1 A 11 11 LYS N N 11 122.538 119.186 3.352 1
1 32 . 3 1 1 A 11 11 LYS H H 11 8.294 7.399 0.895 1
1 33 . 3 1 1 A 11 11 LYS CA C 11 53.942 53.098 0.844 1
1 34 . 3 1 1 A 11 11 LYS HA H 11 4.522 4.726 -0.204 1
1 35 . 3 1 1 A 11 11 LYS CB C 11 32.707 33.837 -1.130 1
1 47 . 3 1 1 A 11 11 LYS C C 11 174.065 176.295 -2.230 1
1 48 . 3 1 1 A 12 12 PRO CA C 12 63.244 64.365 -1.121 1
1 49 . 3 1 1 A 12 12 PRO HA H 12 4.306 4.229 0.077 1
1 50 . 3 1 1 A 12 12 PRO CB C 12 32.290 31.667 0.623 1
1 59 . 3 1 1 A 12 12 PRO C C 12 176.129 175.749 0.380 1
1 60 . 3 1 1 A 13 13 TYR N N 13 118.690 117.812 0.878 1
1 61 . 3 1 1 A 13 13 TYR H H 13 8.094 7.408 0.686 1
1 62 . 3 1 1 A 13 13 TYR CA C 13 57.656 56.699 0.957 1
1 63 . 3 1 1 A 13 13 TYR HA H 13 4.596 5.390 -0.794 1
1 64 . 3 1 1 A 13 13 TYR CB C 13 38.758 41.845 -3.087 1
1 75 . 3 1 1 A 13 13 TYR C C 13 174.523 174.201 0.322 1
1 76 . 3 1 1 A 14 14 GLU N N 14 124.311 124.226 0.085 1
1 77 . 3 1 1 A 14 14 GLU H H 14 8.612 9.025 -0.413 1
1 78 . 3 1 1 A 14 14 GLU CA C 14 54.972 55.166 -0.194 1
1 79 . 3 1 1 A 14 14 GLU HA H 14 4.858 5.211 -0.353 1
1 80 . 3 1 1 A 14 14 GLU CB C 14 33.017 33.591 -0.574 1
1 86 . 3 1 1 A 14 14 GLU C C 14 175.370 175.164 0.206 1
1 87 . 3 1 1 A 15 15 CYS N N 15 126.829 126.017 0.812 1
1 88 . 3 1 1 A 15 15 CYS H H 15 9.299 9.426 -0.127 1
1 89 . 3 1 1 A 15 15 CYS CA C 15 59.489 59.616 -0.127 1
1 90 . 3 1 1 A 15 15 CYS HA H 15 4.615 4.759 -0.144 1
1 91 . 3 1 1 A 15 15 CYS CB C 15 29.588 28.680 0.908 1
1 94 . 3 1 1 A 15 15 CYS C C 15 177.251 174.797 2.454 1
1 95 . 3 1 1 A 16 16 SER CA C 16 60.823 60.312 0.511 1
1 96 . 3 1 1 A 16 16 SER HA H 16 4.324 4.576 -0.252 1
1 97 . 3 1 1 A 16 16 SER CB C 16 63.099 63.998 -0.899 1
1 100 . 3 1 1 A 16 16 SER C C 16 174.225 175.853 -1.628 1
1 101 . 3 1 1 A 17 17 ILE N N 17 123.696 121.425 2.271 1
1 102 . 3 1 1 A 17 17 ILE H H 17 8.607 7.375 1.232 1
1 103 . 3 1 1 A 17 17 ILE CA C 17 63.401 65.045 -1.644 1
1 104 . 3 1 1 A 17 17 ILE HA H 17 3.927 3.481 0.446 1
1 105 . 3 1 1 A 17 17 ILE CB C 17 38.358 37.644 0.714 1
1 118 . 3 1 1 A 17 17 ILE C C 17 176.969 177.435 -0.466 1
1 119 . 3 1 1 A 18 18 CYS N N 18 115.697 115.692 0.005 1
1 120 . 3 1 1 A 18 18 CYS H H 18 8.021 7.123 0.898 1
1 121 . 3 1 1 A 18 18 CYS CA C 18 58.229 59.689 -1.460 1
1 122 . 3 1 1 A 18 18 CYS HA H 18 5.203 4.544 0.659 1
1 123 . 3 1 1 A 18 18 CYS CB C 18 32.739 29.428 3.311 1
1 126 . 3 1 1 A 18 18 CYS C C 18 176.506 175.221 1.285 1
1 127 . 3 1 1 A 19 19 GLY N N 19 113.451 110.359 3.092 1
1 128 . 3 1 1 A 19 19 GLY H H 19 8.148 8.180 -0.032 1
1 129 . 3 1 1 A 19 19 GLY CA C 19 46.236 45.288 0.948 1
1 130 . 3 1 1 A 19 19 GLY HA2 H 19 3.894 4.041 -0.147 1
1 131 . 3 1 1 A 19 19 GLY HA3 H 19 4.247 4.055 0.192 1
1 132 . 3 1 1 A 19 19 GLY C C 19 173.836 174.469 -0.633 1
1 133 . 3 1 1 A 20 20 LYS N N 20 122.918 119.949 2.969 1
1 134 . 3 1 1 A 20 20 LYS H H 20 7.971 7.309 0.662 1
1 135 . 3 1 1 A 20 20 LYS CA C 20 57.991 55.439 2.552 1
1 136 . 3 1 1 A 20 20 LYS HA H 20 4.043 4.480 -0.437 1
1 137 . 3 1 1 A 20 20 LYS CB C 20 33.587 34.457 -0.870 1
1 149 . 3 1 1 A 20 20 LYS C C 20 174.295 175.329 -1.034 1
1 150 . 3 1 1 A 21 21 SER N N 21 115.357 112.362 2.995 1
1 151 . 3 1 1 A 21 21 SER H H 21 7.819 8.346 -0.527 1
1 152 . 3 1 1 A 21 21 SER CA C 21 56.697 56.348 0.349 1
1 153 . 3 1 1 A 21 21 SER HA H 21 5.301 5.432 -0.131 1
1 154 . 3 1 1 A 21 21 SER CB C 21 66.038 65.759 0.279 1
1 157 . 3 1 1 A 21 21 SER C C 21 173.121 172.787 0.334 1
1 158 . 3 1 1 A 22 22 PHE N N 22 118.204 119.387 -1.183 1
1 159 . 3 1 1 A 22 22 PHE H H 22 8.662 9.174 -0.512 1
1 160 . 3 1 1 A 22 22 PHE CA C 22 57.284 56.311 0.973 1
1 161 . 3 1 1 A 22 22 PHE HA H 22 4.810 4.967 -0.157 1
1 162 . 3 1 1 A 22 22 PHE CB C 22 43.860 43.559 0.301 1
1 175 . 3 1 1 A 22 22 PHE C C 22 175.380 174.952 0.428 1
1 176 . 3 1 1 A 23 23 THR N N 23 114.460 112.383 2.077 1
1 177 . 3 1 1 A 23 23 THR H H 23 8.904 8.638 0.266 1
1 178 . 3 1 1 A 23 23 THR CA C 23 64.664 61.070 3.594 1
1 179 . 3 1 1 A 23 23 THR HA H 23 4.429 5.051 -0.622 1
1 180 . 3 1 1 A 23 23 THR CB C 23 69.577 70.407 -0.830 1
1 186 . 3 1 1 A 23 23 THR C C 23 174.705 174.041 0.664 1
1 187 . 3 1 1 A 24 24 LYS N N 24 117.025 121.629 -4.604 1
1 188 . 3 1 1 A 24 24 LYS H H 24 7.637 7.388 0.249 1
1 189 . 3 1 1 A 24 24 LYS CA C 24 54.289 54.679 -0.390 1
1 190 . 3 1 1 A 24 24 LYS HA H 24 4.858 4.423 0.435 1
1 191 . 3 1 1 A 24 24 LYS CB C 24 35.986 34.096 1.890 1
1 203 . 3 1 1 A 24 24 LYS C C 24 176.551 176.191 0.360 1
1 204 . 3 1 1 A 25 25 LYS N N 25 127.352 125.561 1.791 1
1 205 . 3 1 1 A 25 25 LYS H H 25 8.516 8.300 0.216 1
1 206 . 3 1 1 A 25 25 LYS CA C 25 59.682 59.670 0.012 1
1 207 . 3 1 1 A 25 25 LYS HA H 25 2.925 3.142 -0.217 1
1 208 . 3 1 1 A 25 25 LYS CB C 25 31.703 31.833 -0.130 1
1 220 . 3 1 1 A 25 25 LYS C C 25 178.182 177.831 0.351 1
1 221 . 3 1 1 A 26 26 SER CA C 26 60.759 61.476 -0.717 1
1 222 . 3 1 1 A 26 26 SER HA H 26 4.015 3.901 0.114 1
1 223 . 3 1 1 A 26 26 SER CB C 26 61.414 62.895 -1.481 1
1 226 . 3 1 1 A 26 26 SER C C 26 176.943 177.124 -0.181 1
1 227 . 3 1 1 A 27 27 GLN N N 27 120.004 121.112 -1.108 1
1 228 . 3 1 1 A 27 27 GLN H H 27 6.690 7.691 -1.001 1
1 229 . 3 1 1 A 27 27 GLN CA C 27 57.577 59.005 -1.428 1
1 230 . 3 1 1 A 27 27 GLN HA H 27 3.973 3.841 0.132 1
1 231 . 3 1 1 A 27 27 GLN CB C 27 28.433 28.107 0.326 1
1 240 . 3 1 1 A 27 27 GLN C C 27 178.831 178.069 0.762 1
1 241 . 3 1 1 A 28 28 LEU N N 28 121.687 121.203 0.484 1
1 242 . 3 1 1 A 28 28 LEU H H 28 6.973 7.182 -0.209 1
1 243 . 3 1 1 A 28 28 LEU CA C 28 57.775 57.519 0.256 1
1 244 . 3 1 1 A 28 28 LEU HA H 28 3.277 3.088 0.189 1
1 245 . 3 1 1 A 28 28 LEU CB C 28 40.177 41.595 -1.418 1
1 258 . 3 1 1 A 28 28 LEU C C 28 177.514 178.467 -0.953 1
1 259 . 3 1 1 A 29 29 HIS N N 29 118.184 118.002 0.182 1
1 260 . 3 1 1 A 29 29 HIS H H 29 8.049 8.150 -0.101 1
1 261 . 3 1 1 A 29 29 HIS CA C 29 59.106 58.961 0.145 1
1 262 . 3 1 1 A 29 29 HIS HA H 29 4.409 4.141 0.268 1
1 263 . 3 1 1 A 29 29 HIS CB C 29 30.059 30.189 -0.130 1
1 270 . 3 1 1 A 29 29 HIS C C 29 178.350 177.742 0.608 1
1 271 . 3 1 1 A 30 30 VAL N N 30 118.277 118.986 -0.709 1
1 272 . 3 1 1 A 30 30 VAL H H 30 7.513 8.261 -0.748 1
1 273 . 3 1 1 A 30 30 VAL CA C 30 66.146 66.148 -0.002 1
1 274 . 3 1 1 A 30 30 VAL HA H 30 3.665 3.410 0.255 1
1 275 . 3 1 1 A 30 30 VAL CB C 30 32.158 31.549 0.609 1
1 285 . 3 1 1 A 30 30 VAL C C 30 178.807 178.152 0.655 1
1 286 . 3 1 1 A 31 31 HIS N N 31 119.980 119.709 0.271 1
1 287 . 3 1 1 A 31 31 HIS H H 31 7.606 8.253 -0.647 1
1 288 . 3 1 1 A 31 31 HIS CA C 31 59.357 59.971 -0.614 1
1 289 . 3 1 1 A 31 31 HIS HA H 31 4.165 4.004 0.161 1
1 290 . 3 1 1 A 31 31 HIS CB C 31 28.519 29.544 -1.025 1
1 297 . 3 1 1 A 31 31 HIS C C 31 176.287 176.480 -0.193 1
1 298 . 3 1 1 A 32 32 GLN N N 32 114.428 117.111 -2.683 1
1 299 . 3 1 1 A 32 32 GLN H H 32 8.425 8.516 -0.091 1
1 300 . 3 1 1 A 32 32 GLN CA C 32 59.301 59.381 -0.080 1
1 301 . 3 1 1 A 32 32 GLN HA H 32 3.688 3.765 -0.077 1
1 302 . 3 1 1 A 32 32 GLN CB C 32 28.202 28.157 0.045 1
1 311 . 3 1 1 A 32 32 GLN C C 32 177.554 178.407 -0.853 1
1 312 . 3 1 1 A 33 33 GLN N N 33 117.108 118.158 -1.050 1
1 313 . 3 1 1 A 33 33 GLN H H 33 7.239 8.037 -0.798 1
1 314 . 3 1 1 A 33 33 GLN CA C 33 57.802 59.115 -1.313 1
1 315 . 3 1 1 A 33 33 GLN HA H 33 4.073 3.894 0.179 1
1 316 . 3 1 1 A 33 33 GLN CB C 33 28.374 27.998 0.376 1
1 325 . 3 1 1 A 33 33 GLN C C 33 178.214 178.303 -0.089 1
1 326 . 3 1 1 A 34 34 ILE N N 34 116.246 121.072 -4.826 1
1 327 . 3 1 1 A 34 34 ILE H H 34 7.802 7.976 -0.174 1
1 328 . 3 1 1 A 34 34 ILE CA C 34 63.058 63.800 -0.742 1
1 329 . 3 1 1 A 34 34 ILE HA H 34 3.997 3.664 0.333 1
1 330 . 3 1 1 A 34 34 ILE CB C 34 37.744 37.450 0.294 1
1 343 . 3 1 1 A 34 34 ILE C C 34 177.303 176.824 0.479 1
1 344 . 3 1 1 A 35 35 HIS N N 35 117.300 117.521 -0.221 1
1 345 . 3 1 1 A 35 35 HIS H H 35 7.168 7.769 -0.601 1
1 346 . 3 1 1 A 35 35 HIS CA C 35 55.082 54.842 0.240 1
1 347 . 3 1 1 A 35 35 HIS HA H 35 4.902 4.746 0.156 1
1 348 . 3 1 1 A 35 35 HIS CB C 35 28.700 28.877 -0.177 1
1 355 . 3 1 1 A 35 35 HIS C C 35 175.645 175.056 0.589 1
1 356 . 3 1 1 A 36 36 THR N N 36 112.636 115.452 -2.816 1
1 357 . 3 1 1 A 36 36 THR H H 36 7.742 7.547 0.195 1
1 358 . 3 1 1 A 36 36 THR CA C 36 62.837 61.223 1.614 1
1 359 . 3 1 1 A 36 36 THR HA H 36 4.303 4.533 -0.230 1
1 360 . 3 1 1 A 36 36 THR CB C 36 69.713 69.831 -0.118 1
1 366 . 3 1 1 A 36 36 THR C C 36 175.349 174.551 0.798 1
1 367 . 3 1 1 A 37 37 GLY N N 37 110.952 113.952 -3.000 1
1 368 . 3 1 1 A 37 37 GLY H H 37 8.329 8.453 -0.124 1
1 369 . 3 1 1 A 37 37 GLY CA C 37 45.353 44.805 0.548 1
1 370 . 3 1 1 A 37 37 GLY HA2 H 37 4.000 4.084 -0.084 1
1 371 . 3 1 1 A 37 37 GLY HA3 H 37 4.000 4.087 -0.087 1
1 372 . 3 1 1 A 37 37 GLY C C 37 174.021 172.739 1.282 1
1 373 . 3 1 1 A 38 38 GLU N N 38 120.547 121.034 -0.487 1
1 374 . 3 1 1 A 38 38 GLU H H 38 8.063 8.231 -0.168 1
1 375 . 3 1 1 A 38 38 GLU CA C 38 56.431 56.912 -0.481 1
1 376 . 3 1 1 A 38 38 GLU HA H 38 4.270 4.217 0.053 1
1 377 . 3 1 1 A 38 38 GLU CB C 38 30.563 30.197 0.366 1
1 383 . 3 1 1 A 38 38 GLU C C 38 176.207 176.676 -0.469 1
1 384 . 3 1 1 A 39 39 LYS N N 39 123.687 124.383 -0.696 1
1 385 . 3 1 1 A 39 39 LYS H H 39 8.412 8.535 -0.123 1
1 386 . 3 1 1 A 39 39 LYS CA C 39 54.062 54.963 -0.901 1
1 387 . 3 1 1 A 39 39 LYS HA H 39 4.621 4.391 0.230 1
1 388 . 3 1 1 A 39 39 LYS CB C 39 32.571 31.599 0.972 1
1 400 . 3 1 1 A 39 39 LYS C C 39 174.427 174.892 -0.465 1
1 401 . 3 1 1 A 40 40 PRO CA C 40 63.207 62.467 0.740 1
1 402 . 3 1 1 A 40 40 PRO HA H 40 4.475 4.714 -0.239 1
1 403 . 3 1 1 A 40 40 PRO CB C 40 32.205 29.956 2.249 1
1 412 . 3 1 1 A 41 41 SER N N 41 116.537 118.759 -2.222 1
1 413 . 3 1 1 A 41 41 SER H H 41 8.491 8.456 0.035 1
1 414 . 3 1 1 A 42 42 GLY CA C 42 44.661 45.894 -1.233 1
1 415 . 3 1 1 A 42 42 GLY HA2 H 42 4.174 4.130 0.044 1
1 416 . 3 1 1 A 42 42 GLY HA3 H 42 4.114 4.130 -0.016 1
1 417 . 3 1 1 A 43 43 PRO CA C 43 63.206 62.839 0.367 1
1 418 . 3 1 1 A 43 43 PRO HA H 43 4.479 4.563 -0.084 1
1 419 . 3 1 1 A 43 43 PRO CB C 43 32.187 32.064 0.123 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.470 45.759 -0.289 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 4.008 4.171 -0.163 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 4.008 4.172 -0.164 1
1 4 . 4 1 1 A 7 7 GLY C C 7 174.519 174.614 -0.095 1
1 5 . 4 1 1 A 8 8 THR N N 8 112.809 111.267 1.542 1
1 6 . 4 1 1 A 8 8 THR H H 8 8.167 7.716 0.451 1
1 7 . 4 1 1 A 8 8 THR CA C 8 61.860 60.203 1.657 1
1 8 . 4 1 1 A 8 8 THR HA H 8 4.388 4.721 -0.333 1
1 9 . 4 1 1 A 8 8 THR CB C 8 69.699 68.531 1.168 1
1 15 . 4 1 1 A 8 8 THR C C 8 175.277 174.119 1.158 1
1 16 . 4 1 1 A 9 9 GLY CA C 9 45.306 44.071 1.235 1
1 17 . 4 1 1 A 9 9 GLY HA2 H 9 3.979 4.223 -0.244 1
1 18 . 4 1 1 A 9 9 GLY HA3 H 9 3.938 4.223 -0.285 1
1 19 . 4 1 1 A 9 9 GLY C C 9 174.001 172.619 1.382 1
1 20 . 4 1 1 A 10 10 GLU N N 10 120.420 121.417 -0.997 1
1 21 . 4 1 1 A 10 10 GLU H H 10 8.230 8.691 -0.461 1
1 22 . 4 1 1 A 10 10 GLU CA C 10 56.759 55.225 1.534 1
1 23 . 4 1 1 A 10 10 GLU HA H 10 4.223 4.673 -0.450 1
1 24 . 4 1 1 A 10 10 GLU CB C 10 30.471 30.619 -0.148 1
1 30 . 4 1 1 A 10 10 GLU C C 10 176.269 175.278 0.991 1
1 31 . 4 1 1 A 11 11 LYS N N 11 122.538 121.780 0.758 1
1 32 . 4 1 1 A 11 11 LYS H H 11 8.294 7.450 0.844 1
1 33 . 4 1 1 A 11 11 LYS CA C 11 53.942 52.858 1.084 1
1 34 . 4 1 1 A 11 11 LYS HA H 11 4.522 4.689 -0.167 1
1 35 . 4 1 1 A 11 11 LYS CB C 11 32.707 33.799 -1.092 1
1 47 . 4 1 1 A 11 11 LYS C C 11 174.065 176.261 -2.196 1
1 48 . 4 1 1 A 12 12 PRO CA C 12 63.244 64.905 -1.661 1
1 49 . 4 1 1 A 12 12 PRO HA H 12 4.306 4.296 0.010 1
1 50 . 4 1 1 A 12 12 PRO CB C 12 32.290 31.555 0.735 1
1 59 . 4 1 1 A 12 12 PRO C C 12 176.129 175.874 0.255 1
1 60 . 4 1 1 A 13 13 TYR N N 13 118.690 118.295 0.395 1
1 61 . 4 1 1 A 13 13 TYR H H 13 8.094 7.331 0.763 1
1 62 . 4 1 1 A 13 13 TYR CA C 13 57.656 57.513 0.143 1
1 63 . 4 1 1 A 13 13 TYR HA H 13 4.596 5.021 -0.425 1
1 64 . 4 1 1 A 13 13 TYR CB C 13 38.758 40.383 -1.625 1
1 75 . 4 1 1 A 13 13 TYR C C 13 174.523 174.891 -0.368 1
1 76 . 4 1 1 A 14 14 GLU N N 14 124.311 123.331 0.980 1
1 77 . 4 1 1 A 14 14 GLU H H 14 8.612 9.091 -0.479 1
1 78 . 4 1 1 A 14 14 GLU CA C 14 54.972 54.821 0.151 1
1 79 . 4 1 1 A 14 14 GLU HA H 14 4.858 5.194 -0.336 1
1 80 . 4 1 1 A 14 14 GLU CB C 14 33.017 33.646 -0.629 1
1 86 . 4 1 1 A 14 14 GLU C C 14 175.370 175.041 0.329 1
1 87 . 4 1 1 A 15 15 CYS N N 15 126.829 125.640 1.189 1
1 88 . 4 1 1 A 15 15 CYS H H 15 9.299 9.242 0.057 1
1 89 . 4 1 1 A 15 15 CYS CA C 15 59.489 58.811 0.678 1
1 90 . 4 1 1 A 15 15 CYS HA H 15 4.615 4.684 -0.069 1
1 91 . 4 1 1 A 15 15 CYS CB C 15 29.588 28.564 1.024 1
1 94 . 4 1 1 A 15 15 CYS C C 15 177.251 176.373 0.878 1
1 95 . 4 1 1 A 16 16 SER CA C 16 60.823 59.195 1.628 1
1 96 . 4 1 1 A 16 16 SER HA H 16 4.324 4.464 -0.140 1
1 97 . 4 1 1 A 16 16 SER CB C 16 63.099 63.136 -0.037 1
1 100 . 4 1 1 A 16 16 SER C C 16 174.225 173.828 0.397 1
1 101 . 4 1 1 A 17 17 ILE N N 17 123.696 120.323 3.373 1
1 102 . 4 1 1 A 17 17 ILE H H 17 8.607 7.647 0.960 1
1 103 . 4 1 1 A 17 17 ILE CA C 17 63.401 62.722 0.679 1
1 104 . 4 1 1 A 17 17 ILE HA H 17 3.927 4.057 -0.130 1
1 105 . 4 1 1 A 17 17 ILE CB C 17 38.358 38.830 -0.472 1
1 118 . 4 1 1 A 17 17 ILE C C 17 176.969 177.653 -0.684 1
1 119 . 4 1 1 A 18 18 CYS N N 18 115.697 115.829 -0.132 1
1 120 . 4 1 1 A 18 18 CYS H H 18 8.021 8.005 0.016 1
1 121 . 4 1 1 A 18 18 CYS CA C 18 58.229 59.587 -1.358 1
1 122 . 4 1 1 A 18 18 CYS HA H 18 5.203 4.590 0.613 1
1 123 . 4 1 1 A 18 18 CYS CB C 18 32.739 29.527 3.212 1
1 126 . 4 1 1 A 18 18 CYS C C 18 176.506 175.187 1.319 1
1 127 . 4 1 1 A 19 19 GLY N N 19 113.451 110.038 3.413 1
1 128 . 4 1 1 A 19 19 GLY H H 19 8.148 8.046 0.102 1
1 129 . 4 1 1 A 19 19 GLY CA C 19 46.236 45.231 1.005 1
1 130 . 4 1 1 A 19 19 GLY HA2 H 19 3.894 4.068 -0.174 1
1 131 . 4 1 1 A 19 19 GLY HA3 H 19 4.247 4.074 0.173 1
1 132 . 4 1 1 A 19 19 GLY C C 19 173.836 174.093 -0.257 1
1 133 . 4 1 1 A 20 20 LYS N N 20 122.918 119.219 3.699 1
1 134 . 4 1 1 A 20 20 LYS H H 20 7.971 7.871 0.100 1
1 135 . 4 1 1 A 20 20 LYS CA C 20 57.991 54.529 3.462 1
1 136 . 4 1 1 A 20 20 LYS HA H 20 4.043 4.601 -0.558 1
1 137 . 4 1 1 A 20 20 LYS CB C 20 33.587 34.299 -0.712 1
1 149 . 4 1 1 A 20 20 LYS C C 20 174.295 175.199 -0.904 1
1 150 . 4 1 1 A 21 21 SER N N 21 115.357 112.287 3.070 1
1 151 . 4 1 1 A 21 21 SER H H 21 7.819 8.407 -0.588 1
1 152 . 4 1 1 A 21 21 SER CA C 21 56.697 56.582 0.115 1
1 153 . 4 1 1 A 21 21 SER HA H 21 5.301 5.276 0.025 1
1 154 . 4 1 1 A 21 21 SER CB C 21 66.038 66.106 -0.068 1
1 157 . 4 1 1 A 21 21 SER C C 21 173.121 172.784 0.337 1
1 158 . 4 1 1 A 22 22 PHE N N 22 118.204 118.778 -0.574 1
1 159 . 4 1 1 A 22 22 PHE H H 22 8.662 8.837 -0.175 1
1 160 . 4 1 1 A 22 22 PHE CA C 22 57.284 56.637 0.647 1
1 161 . 4 1 1 A 22 22 PHE HA H 22 4.810 4.911 -0.101 1
1 162 . 4 1 1 A 22 22 PHE CB C 22 43.860 43.409 0.451 1
1 175 . 4 1 1 A 22 22 PHE C C 22 175.380 175.467 -0.087 1
1 176 . 4 1 1 A 23 23 THR N N 23 114.460 113.190 1.270 1
1 177 . 4 1 1 A 23 23 THR H H 23 8.904 8.623 0.281 1
1 178 . 4 1 1 A 23 23 THR CA C 23 64.664 62.336 2.328 1
1 179 . 4 1 1 A 23 23 THR HA H 23 4.429 4.616 -0.187 1
1 180 . 4 1 1 A 23 23 THR CB C 23 69.577 69.547 0.030 1
1 186 . 4 1 1 A 23 23 THR C C 23 174.705 174.409 0.296 1
1 187 . 4 1 1 A 24 24 LYS N N 24 117.025 121.759 -4.734 1
1 188 . 4 1 1 A 24 24 LYS H H 24 7.637 7.584 0.053 1
1 189 . 4 1 1 A 24 24 LYS CA C 24 54.289 54.592 -0.303 1
1 190 . 4 1 1 A 24 24 LYS HA H 24 4.858 4.619 0.239 1
1 191 . 4 1 1 A 24 24 LYS CB C 24 35.986 34.742 1.244 1
1 203 . 4 1 1 A 24 24 LYS C C 24 176.551 175.952 0.599 1
1 204 . 4 1 1 A 25 25 LYS N N 25 127.352 126.208 1.144 1
1 205 . 4 1 1 A 25 25 LYS H H 25 8.516 8.704 -0.188 1
1 206 . 4 1 1 A 25 25 LYS CA C 25 59.682 59.453 0.229 1
1 207 . 4 1 1 A 25 25 LYS HA H 25 2.925 2.660 0.265 1
1 208 . 4 1 1 A 25 25 LYS CB C 25 31.703 31.533 0.170 1
1 220 . 4 1 1 A 25 25 LYS C C 25 178.182 177.300 0.882 1
1 221 . 4 1 1 A 26 26 SER CA C 26 60.759 61.470 -0.711 1
1 222 . 4 1 1 A 26 26 SER HA H 26 4.015 3.977 0.038 1
1 223 . 4 1 1 A 26 26 SER CB C 26 61.414 62.811 -1.397 1
1 226 . 4 1 1 A 26 26 SER C C 26 176.943 177.134 -0.191 1
1 227 . 4 1 1 A 27 27 GLN N N 27 120.004 121.562 -1.558 1
1 228 . 4 1 1 A 27 27 GLN H H 27 6.690 7.910 -1.220 1
1 229 . 4 1 1 A 27 27 GLN CA C 27 57.577 58.846 -1.269 1
1 230 . 4 1 1 A 27 27 GLN HA H 27 3.973 3.853 0.120 1
1 231 . 4 1 1 A 27 27 GLN CB C 27 28.433 27.906 0.527 1
1 240 . 4 1 1 A 27 27 GLN C C 27 178.831 177.964 0.867 1
1 241 . 4 1 1 A 28 28 LEU N N 28 121.687 121.396 0.291 1
1 242 . 4 1 1 A 28 28 LEU H H 28 6.973 7.321 -0.348 1
1 243 . 4 1 1 A 28 28 LEU CA C 28 57.775 57.669 0.106 1
1 244 . 4 1 1 A 28 28 LEU HA H 28 3.277 3.135 0.142 1
1 245 . 4 1 1 A 28 28 LEU CB C 28 40.177 41.365 -1.188 1
1 258 . 4 1 1 A 28 28 LEU C C 28 177.514 178.154 -0.640 1
1 259 . 4 1 1 A 29 29 HIS N N 29 118.184 117.667 0.517 1
1 260 . 4 1 1 A 29 29 HIS H H 29 8.049 7.691 0.358 1
1 261 . 4 1 1 A 29 29 HIS CA C 29 59.106 59.498 -0.392 1
1 262 . 4 1 1 A 29 29 HIS HA H 29 4.409 4.195 0.214 1
1 263 . 4 1 1 A 29 29 HIS CB C 29 30.059 30.143 -0.084 1
1 270 . 4 1 1 A 29 29 HIS C C 29 178.350 177.836 0.514 1
1 271 . 4 1 1 A 30 30 VAL N N 30 118.277 119.048 -0.771 1
1 272 . 4 1 1 A 30 30 VAL H H 30 7.513 7.940 -0.427 1
1 273 . 4 1 1 A 30 30 VAL CA C 30 66.146 66.151 -0.005 1
1 274 . 4 1 1 A 30 30 VAL HA H 30 3.665 3.408 0.257 1
1 275 . 4 1 1 A 30 30 VAL CB C 30 32.158 31.485 0.673 1
1 285 . 4 1 1 A 30 30 VAL C C 30 178.807 178.089 0.718 1
1 286 . 4 1 1 A 31 31 HIS N N 31 119.980 119.339 0.641 1
1 287 . 4 1 1 A 31 31 HIS H H 31 7.606 8.364 -0.758 1
1 288 . 4 1 1 A 31 31 HIS CA C 31 59.357 60.058 -0.701 1
1 289 . 4 1 1 A 31 31 HIS HA H 31 4.165 4.033 0.132 1
1 290 . 4 1 1 A 31 31 HIS CB C 31 28.519 29.436 -0.917 1
1 297 . 4 1 1 A 31 31 HIS C C 31 176.287 176.551 -0.264 1
1 298 . 4 1 1 A 32 32 GLN N N 32 114.428 117.104 -2.676 1
1 299 . 4 1 1 A 32 32 GLN H H 32 8.425 8.194 0.231 1
1 300 . 4 1 1 A 32 32 GLN CA C 32 59.301 59.399 -0.098 1
1 301 . 4 1 1 A 32 32 GLN HA H 32 3.688 3.870 -0.182 1
1 302 . 4 1 1 A 32 32 GLN CB C 32 28.202 28.253 -0.051 1
1 311 . 4 1 1 A 32 32 GLN C C 32 177.554 178.414 -0.860 1
1 312 . 4 1 1 A 33 33 GLN N N 33 117.108 118.171 -1.063 1
1 313 . 4 1 1 A 33 33 GLN H H 33 7.239 7.917 -0.678 1
1 314 . 4 1 1 A 33 33 GLN CA C 33 57.802 59.116 -1.314 1
1 315 . 4 1 1 A 33 33 GLN HA H 33 4.073 4.225 -0.152 1
1 316 . 4 1 1 A 33 33 GLN CB C 33 28.374 28.028 0.346 1
1 325 . 4 1 1 A 33 33 GLN C C 33 178.214 178.307 -0.093 1
1 326 . 4 1 1 A 34 34 ILE N N 34 116.246 120.904 -4.658 1
1 327 . 4 1 1 A 34 34 ILE H H 34 7.802 8.072 -0.270 1
1 328 . 4 1 1 A 34 34 ILE CA C 34 63.058 63.938 -0.880 1
1 329 . 4 1 1 A 34 34 ILE HA H 34 3.997 3.680 0.317 1
1 330 . 4 1 1 A 34 34 ILE CB C 34 37.744 37.446 0.298 1
1 343 . 4 1 1 A 34 34 ILE C C 34 177.303 177.509 -0.206 1
1 344 . 4 1 1 A 35 35 HIS N N 35 117.300 117.012 0.288 1
1 345 . 4 1 1 A 35 35 HIS H H 35 7.168 7.404 -0.236 1
1 346 . 4 1 1 A 35 35 HIS CA C 35 55.082 58.129 -3.047 1
1 347 . 4 1 1 A 35 35 HIS HA H 35 4.902 4.414 0.488 1
1 348 . 4 1 1 A 35 35 HIS CB C 35 28.700 31.096 -2.396 1
1 355 . 4 1 1 A 35 35 HIS C C 35 175.645 175.241 0.404 1
1 356 . 4 1 1 A 36 36 THR N N 36 112.636 111.528 1.108 1
1 357 . 4 1 1 A 36 36 THR H H 36 7.742 7.773 -0.031 1
1 358 . 4 1 1 A 36 36 THR CA C 36 62.837 59.551 3.286 1
1 359 . 4 1 1 A 36 36 THR HA H 36 4.303 4.668 -0.365 1
1 360 . 4 1 1 A 36 36 THR CB C 36 69.713 71.159 -1.446 1
1 366 . 4 1 1 A 36 36 THR C C 36 175.349 173.144 2.205 1
1 367 . 4 1 1 A 37 37 GLY N N 37 110.952 114.219 -3.267 1
1 368 . 4 1 1 A 37 37 GLY H H 37 8.329 8.500 -0.171 1
1 369 . 4 1 1 A 37 37 GLY CA C 37 45.353 45.711 -0.358 1
1 370 . 4 1 1 A 37 37 GLY HA2 H 37 4.000 4.110 -0.110 1
1 371 . 4 1 1 A 37 37 GLY HA3 H 37 4.000 4.114 -0.114 1
1 372 . 4 1 1 A 37 37 GLY C C 37 174.021 173.873 0.148 1
1 373 . 4 1 1 A 38 38 GLU N N 38 120.547 117.397 3.150 1
1 374 . 4 1 1 A 38 38 GLU H H 38 8.063 8.271 -0.208 1
1 375 . 4 1 1 A 38 38 GLU CA C 38 56.431 57.430 -0.999 1
1 376 . 4 1 1 A 38 38 GLU HA H 38 4.270 3.980 0.290 1
1 377 . 4 1 1 A 38 38 GLU CB C 38 30.563 28.495 2.068 1
1 383 . 4 1 1 A 38 38 GLU C C 38 176.207 176.356 -0.149 1
1 384 . 4 1 1 A 39 39 LYS N N 39 123.687 119.614 4.073 1
1 385 . 4 1 1 A 39 39 LYS H H 39 8.412 7.769 0.643 1
1 386 . 4 1 1 A 39 39 LYS CA C 39 54.062 52.823 1.239 1
1 387 . 4 1 1 A 39 39 LYS HA H 39 4.621 4.725 -0.104 1
1 388 . 4 1 1 A 39 39 LYS CB C 39 32.571 32.791 -0.220 1
1 400 . 4 1 1 A 39 39 LYS C C 39 174.427 174.999 -0.572 1
1 401 . 4 1 1 A 40 40 PRO CA C 40 63.207 64.808 -1.601 1
1 402 . 4 1 1 A 40 40 PRO HA H 40 4.475 4.267 0.208 1
1 403 . 4 1 1 A 40 40 PRO CB C 40 32.205 32.013 0.192 1
1 412 . 4 1 1 A 41 41 SER N N 41 116.537 114.352 2.185 1
1 413 . 4 1 1 A 41 41 SER H H 41 8.491 8.512 -0.021 1
1 414 . 4 1 1 A 42 42 GLY CA C 42 44.661 44.572 0.089 1
1 415 . 4 1 1 A 42 42 GLY HA2 H 42 4.174 4.048 0.126 1
1 416 . 4 1 1 A 42 42 GLY HA3 H 42 4.114 4.049 0.065 1
1 417 . 4 1 1 A 43 43 PRO CA C 43 63.206 63.429 -0.223 1
1 418 . 4 1 1 A 43 43 PRO HA H 43 4.479 4.445 0.034 1
1 419 . 4 1 1 A 43 43 PRO CB C 43 32.187 31.973 0.214 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.470 46.145 -0.675 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 4.008 4.057 -0.049 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 4.008 4.058 -0.050 1
1 4 . 5 1 1 A 7 7 GLY C C 7 174.519 174.524 -0.005 1
1 5 . 5 1 1 A 8 8 THR N N 8 112.809 114.653 -1.844 1
1 6 . 5 1 1 A 8 8 THR H H 8 8.167 8.004 0.163 1
1 7 . 5 1 1 A 8 8 THR CA C 8 61.860 60.082 1.778 1
1 8 . 5 1 1 A 8 8 THR HA H 8 4.388 4.886 -0.498 1
1 9 . 5 1 1 A 8 8 THR CB C 8 69.699 70.287 -0.588 1
1 15 . 5 1 1 A 8 8 THR C C 8 175.277 174.314 0.963 1
1 16 . 5 1 1 A 9 9 GLY CA C 9 45.306 45.441 -0.135 1
1 17 . 5 1 1 A 9 9 GLY HA2 H 9 3.979 4.364 -0.385 1
1 18 . 5 1 1 A 9 9 GLY HA3 H 9 3.938 4.366 -0.428 1
1 19 . 5 1 1 A 9 9 GLY C C 9 174.001 172.214 1.787 1
1 20 . 5 1 1 A 10 10 GLU N N 10 120.420 119.597 0.823 1
1 21 . 5 1 1 A 10 10 GLU H H 10 8.230 8.668 -0.438 1
1 22 . 5 1 1 A 10 10 GLU CA C 10 56.759 55.395 1.364 1
1 23 . 5 1 1 A 10 10 GLU HA H 10 4.223 4.976 -0.753 1
1 24 . 5 1 1 A 10 10 GLU CB C 10 30.471 34.113 -3.642 1
1 30 . 5 1 1 A 10 10 GLU C C 10 176.269 174.150 2.119 1
1 31 . 5 1 1 A 11 11 LYS N N 11 122.538 126.849 -4.311 1
1 32 . 5 1 1 A 11 11 LYS H H 11 8.294 8.718 -0.424 1
1 33 . 5 1 1 A 11 11 LYS CA C 11 53.942 53.198 0.744 1
1 34 . 5 1 1 A 11 11 LYS HA H 11 4.522 4.770 -0.248 1
1 35 . 5 1 1 A 11 11 LYS CB C 11 32.707 33.485 -0.778 1
1 47 . 5 1 1 A 11 11 LYS C C 11 174.065 176.416 -2.351 1
1 48 . 5 1 1 A 12 12 PRO CA C 12 63.244 64.845 -1.601 1
1 49 . 5 1 1 A 12 12 PRO HA H 12 4.306 4.238 0.068 1
1 50 . 5 1 1 A 12 12 PRO CB C 12 32.290 31.600 0.690 1
1 59 . 5 1 1 A 12 12 PRO C C 12 176.129 175.862 0.267 1
1 60 . 5 1 1 A 13 13 TYR N N 13 118.690 117.887 0.803 1
1 61 . 5 1 1 A 13 13 TYR H H 13 8.094 7.210 0.884 1
1 62 . 5 1 1 A 13 13 TYR CA C 13 57.656 56.990 0.666 1
1 63 . 5 1 1 A 13 13 TYR HA H 13 4.596 5.334 -0.738 1
1 64 . 5 1 1 A 13 13 TYR CB C 13 38.758 41.673 -2.915 1
1 75 . 5 1 1 A 13 13 TYR C C 13 174.523 174.423 0.100 1
1 76 . 5 1 1 A 14 14 GLU N N 14 124.311 122.639 1.672 1
1 77 . 5 1 1 A 14 14 GLU H H 14 8.612 9.020 -0.408 1
1 78 . 5 1 1 A 14 14 GLU CA C 14 54.972 55.126 -0.154 1
1 79 . 5 1 1 A 14 14 GLU HA H 14 4.858 4.963 -0.105 1
1 80 . 5 1 1 A 14 14 GLU CB C 14 33.017 33.814 -0.797 1
1 86 . 5 1 1 A 14 14 GLU C C 14 175.370 174.641 0.729 1
1 87 . 5 1 1 A 15 15 CYS N N 15 126.829 124.693 2.136 1
1 88 . 5 1 1 A 15 15 CYS H H 15 9.299 9.165 0.134 1
1 89 . 5 1 1 A 15 15 CYS CA C 15 59.489 58.811 0.678 1
1 90 . 5 1 1 A 15 15 CYS HA H 15 4.615 4.777 -0.162 1
1 91 . 5 1 1 A 15 15 CYS CB C 15 29.588 29.312 0.276 1
1 94 . 5 1 1 A 15 15 CYS C C 15 177.251 175.130 2.121 1
1 95 . 5 1 1 A 16 16 SER CA C 16 60.823 57.634 3.189 1
1 96 . 5 1 1 A 16 16 SER HA H 16 4.324 4.712 -0.388 1
1 97 . 5 1 1 A 16 16 SER CB C 16 63.099 63.724 -0.625 1
1 100 . 5 1 1 A 16 16 SER C C 16 174.225 175.523 -1.298 1
1 101 . 5 1 1 A 17 17 ILE N N 17 123.696 120.291 3.405 1
1 102 . 5 1 1 A 17 17 ILE H H 17 8.607 7.270 1.337 1
1 103 . 5 1 1 A 17 17 ILE CA C 17 63.401 63.379 0.022 1
1 104 . 5 1 1 A 17 17 ILE HA H 17 3.927 3.943 -0.016 1
1 105 . 5 1 1 A 17 17 ILE CB C 17 38.358 38.523 -0.165 1
1 118 . 5 1 1 A 17 17 ILE C C 17 176.969 177.696 -0.727 1
1 119 . 5 1 1 A 18 18 CYS N N 18 115.697 115.797 -0.100 1
1 120 . 5 1 1 A 18 18 CYS H H 18 8.021 8.086 -0.065 1
1 121 . 5 1 1 A 18 18 CYS CA C 18 58.229 59.689 -1.460 1
1 122 . 5 1 1 A 18 18 CYS HA H 18 5.203 4.602 0.601 1
1 123 . 5 1 1 A 18 18 CYS CB C 18 32.739 29.597 3.142 1
1 126 . 5 1 1 A 18 18 CYS C C 18 176.506 175.222 1.284 1
1 127 . 5 1 1 A 19 19 GLY N N 19 113.451 109.828 3.623 1
1 128 . 5 1 1 A 19 19 GLY H H 19 8.148 8.020 0.128 1
1 129 . 5 1 1 A 19 19 GLY CA C 19 46.236 45.120 1.116 1
1 130 . 5 1 1 A 19 19 GLY HA2 H 19 3.894 4.082 -0.188 1
1 131 . 5 1 1 A 19 19 GLY HA3 H 19 4.247 4.090 0.157 1
1 132 . 5 1 1 A 19 19 GLY C C 19 173.836 174.332 -0.496 1
1 133 . 5 1 1 A 20 20 LYS N N 20 122.918 120.060 2.858 1
1 134 . 5 1 1 A 20 20 LYS H H 20 7.971 7.899 0.072 1
1 135 . 5 1 1 A 20 20 LYS CA C 20 57.991 55.575 2.416 1
1 136 . 5 1 1 A 20 20 LYS HA H 20 4.043 4.513 -0.470 1
1 137 . 5 1 1 A 20 20 LYS CB C 20 33.587 34.330 -0.743 1
1 149 . 5 1 1 A 20 20 LYS C C 20 174.295 175.205 -0.910 1
1 150 . 5 1 1 A 21 21 SER N N 21 115.357 114.794 0.563 1
1 151 . 5 1 1 A 21 21 SER H H 21 7.819 8.181 -0.362 1
1 152 . 5 1 1 A 21 21 SER CA C 21 56.697 57.204 -0.507 1
1 153 . 5 1 1 A 21 21 SER HA H 21 5.301 4.949 0.352 1
1 154 . 5 1 1 A 21 21 SER CB C 21 66.038 66.365 -0.327 1
1 157 . 5 1 1 A 21 21 SER C C 21 173.121 172.623 0.498 1
1 158 . 5 1 1 A 22 22 PHE N N 22 118.204 122.138 -3.934 1
1 159 . 5 1 1 A 22 22 PHE H H 22 8.662 9.032 -0.370 1
1 160 . 5 1 1 A 22 22 PHE CA C 22 57.284 56.615 0.669 1
1 161 . 5 1 1 A 22 22 PHE HA H 22 4.810 4.967 -0.157 1
1 162 . 5 1 1 A 22 22 PHE CB C 22 43.860 43.317 0.543 1
1 175 . 5 1 1 A 22 22 PHE C C 22 175.380 175.365 0.015 1
1 176 . 5 1 1 A 23 23 THR N N 23 114.460 112.893 1.567 1
1 177 . 5 1 1 A 23 23 THR H H 23 8.904 8.755 0.149 1
1 178 . 5 1 1 A 23 23 THR CA C 23 64.664 61.770 2.894 1
1 179 . 5 1 1 A 23 23 THR HA H 23 4.429 4.760 -0.331 1
1 180 . 5 1 1 A 23 23 THR CB C 23 69.577 68.848 0.729 1
1 186 . 5 1 1 A 23 23 THR C C 23 174.705 174.158 0.547 1
1 187 . 5 1 1 A 24 24 LYS N N 24 117.025 120.792 -3.767 1
1 188 . 5 1 1 A 24 24 LYS H H 24 7.637 7.614 0.023 1
1 189 . 5 1 1 A 24 24 LYS CA C 24 54.289 54.823 -0.534 1
1 190 . 5 1 1 A 24 24 LYS HA H 24 4.858 4.620 0.238 1
1 191 . 5 1 1 A 24 24 LYS CB C 24 35.986 35.622 0.364 1
1 203 . 5 1 1 A 24 24 LYS C C 24 176.551 176.273 0.278 1
1 204 . 5 1 1 A 25 25 LYS N N 25 127.352 125.214 2.138 1
1 205 . 5 1 1 A 25 25 LYS H H 25 8.516 8.512 0.004 1
1 206 . 5 1 1 A 25 25 LYS CA C 25 59.682 59.615 0.067 1
1 207 . 5 1 1 A 25 25 LYS HA H 25 2.925 3.066 -0.141 1
1 208 . 5 1 1 A 25 25 LYS CB C 25 31.703 31.623 0.080 1
1 220 . 5 1 1 A 25 25 LYS C C 25 178.182 177.784 0.398 1
1 221 . 5 1 1 A 26 26 SER CA C 26 60.759 61.623 -0.864 1
1 222 . 5 1 1 A 26 26 SER HA H 26 4.015 3.884 0.131 1
1 223 . 5 1 1 A 26 26 SER CB C 26 61.414 62.733 -1.319 1
1 226 . 5 1 1 A 26 26 SER C C 26 176.943 176.569 0.374 1
1 227 . 5 1 1 A 27 27 GLN N N 27 120.004 121.167 -1.163 1
1 228 . 5 1 1 A 27 27 GLN H H 27 6.690 7.703 -1.013 1
1 229 . 5 1 1 A 27 27 GLN CA C 27 57.577 58.937 -1.360 1
1 230 . 5 1 1 A 27 27 GLN HA H 27 3.973 3.915 0.058 1
1 231 . 5 1 1 A 27 27 GLN CB C 27 28.433 28.149 0.284 1
1 240 . 5 1 1 A 27 27 GLN C C 27 178.831 178.104 0.727 1
1 241 . 5 1 1 A 28 28 LEU N N 28 121.687 121.507 0.180 1
1 242 . 5 1 1 A 28 28 LEU H H 28 6.973 7.536 -0.563 1
1 243 . 5 1 1 A 28 28 LEU CA C 28 57.775 57.542 0.233 1
1 244 . 5 1 1 A 28 28 LEU HA H 28 3.277 2.852 0.425 1
1 245 . 5 1 1 A 28 28 LEU CB C 28 40.177 41.592 -1.415 1
1 258 . 5 1 1 A 28 28 LEU C C 28 177.514 178.429 -0.915 1
1 259 . 5 1 1 A 29 29 HIS N N 29 118.184 117.946 0.238 1
1 260 . 5 1 1 A 29 29 HIS H H 29 8.049 8.220 -0.171 1
1 261 . 5 1 1 A 29 29 HIS CA C 29 59.106 59.205 -0.099 1
1 262 . 5 1 1 A 29 29 HIS HA H 29 4.409 4.172 0.237 1
1 263 . 5 1 1 A 29 29 HIS CB C 29 30.059 29.926 0.133 1
1 270 . 5 1 1 A 29 29 HIS C C 29 178.350 178.164 0.186 1
1 271 . 5 1 1 A 30 30 VAL N N 30 118.277 119.097 -0.820 1
1 272 . 5 1 1 A 30 30 VAL H H 30 7.513 7.824 -0.311 1
1 273 . 5 1 1 A 30 30 VAL CA C 30 66.146 65.962 0.184 1
1 274 . 5 1 1 A 30 30 VAL HA H 30 3.665 3.537 0.128 1
1 275 . 5 1 1 A 30 30 VAL CB C 30 32.158 31.397 0.761 1
1 285 . 5 1 1 A 30 30 VAL C C 30 178.807 177.902 0.905 1
1 286 . 5 1 1 A 31 31 HIS N N 31 119.980 120.513 -0.533 1
1 287 . 5 1 1 A 31 31 HIS H H 31 7.606 8.160 -0.554 1
1 288 . 5 1 1 A 31 31 HIS CA C 31 59.357 59.074 0.283 1
1 289 . 5 1 1 A 31 31 HIS HA H 31 4.165 4.174 -0.009 1
1 290 . 5 1 1 A 31 31 HIS CB C 31 28.519 29.675 -1.156 1
1 297 . 5 1 1 A 31 31 HIS C C 31 176.287 177.138 -0.851 1
1 298 . 5 1 1 A 32 32 GLN N N 32 114.428 118.826 -4.398 1
1 299 . 5 1 1 A 32 32 GLN H H 32 8.425 8.681 -0.256 1
1 300 . 5 1 1 A 32 32 GLN CA C 32 59.301 59.248 0.053 1
1 301 . 5 1 1 A 32 32 GLN HA H 32 3.688 3.885 -0.197 1
1 302 . 5 1 1 A 32 32 GLN CB C 32 28.202 28.194 0.008 1
1 311 . 5 1 1 A 32 32 GLN C C 32 177.554 178.232 -0.678 1
1 312 . 5 1 1 A 33 33 GLN N N 33 117.108 117.510 -0.402 1
1 313 . 5 1 1 A 33 33 GLN H H 33 7.239 7.705 -0.466 1
1 314 . 5 1 1 A 33 33 GLN CA C 33 57.802 58.105 -0.303 1
1 315 . 5 1 1 A 33 33 GLN HA H 33 4.073 4.082 -0.009 1
1 316 . 5 1 1 A 33 33 GLN CB C 33 28.374 27.616 0.758 1
1 325 . 5 1 1 A 33 33 GLN C C 33 178.214 178.589 -0.375 1
1 326 . 5 1 1 A 34 34 ILE N N 34 116.246 121.541 -5.295 1
1 327 . 5 1 1 A 34 34 ILE H H 34 7.802 8.146 -0.344 1
1 328 . 5 1 1 A 34 34 ILE CA C 34 63.058 63.296 -0.238 1
1 329 . 5 1 1 A 34 34 ILE HA H 34 3.997 3.763 0.234 1
1 330 . 5 1 1 A 34 34 ILE CB C 34 37.744 37.434 0.310 1
1 343 . 5 1 1 A 34 34 ILE C C 34 177.303 177.354 -0.051 1
1 344 . 5 1 1 A 35 35 HIS N N 35 117.300 117.757 -0.457 1
1 345 . 5 1 1 A 35 35 HIS H H 35 7.168 7.213 -0.045 1
1 346 . 5 1 1 A 35 35 HIS CA C 35 55.082 58.916 -3.834 1
1 347 . 5 1 1 A 35 35 HIS HA H 35 4.902 4.398 0.504 1
1 348 . 5 1 1 A 35 35 HIS CB C 35 28.700 30.974 -2.274 1
1 355 . 5 1 1 A 35 35 HIS C C 35 175.645 176.404 -0.759 1
1 356 . 5 1 1 A 36 36 THR N N 36 112.636 111.185 1.451 1
1 357 . 5 1 1 A 36 36 THR H H 36 7.742 7.579 0.163 1
1 358 . 5 1 1 A 36 36 THR CA C 36 62.837 61.499 1.338 1
1 359 . 5 1 1 A 36 36 THR HA H 36 4.303 4.328 -0.025 1
1 360 . 5 1 1 A 36 36 THR CB C 36 69.713 68.484 1.229 1
1 366 . 5 1 1 A 36 36 THR C C 36 175.349 175.183 0.166 1
1 367 . 5 1 1 A 37 37 GLY N N 37 110.952 114.499 -3.547 1
1 368 . 5 1 1 A 37 37 GLY H H 37 8.329 8.333 -0.004 1
1 369 . 5 1 1 A 37 37 GLY CA C 37 45.353 45.431 -0.078 1
1 370 . 5 1 1 A 37 37 GLY HA2 H 37 4.000 3.981 0.019 1
1 371 . 5 1 1 A 37 37 GLY HA3 H 37 4.000 3.989 0.011 1
1 372 . 5 1 1 A 37 37 GLY C C 37 174.021 175.018 -0.997 1
1 373 . 5 1 1 A 38 38 GLU N N 38 120.547 119.542 1.005 1
1 374 . 5 1 1 A 38 38 GLU H H 38 8.063 8.307 -0.244 1
1 375 . 5 1 1 A 38 38 GLU CA C 38 56.431 57.601 -1.170 1
1 376 . 5 1 1 A 38 38 GLU HA H 38 4.270 3.956 0.314 1
1 377 . 5 1 1 A 38 38 GLU CB C 38 30.563 28.479 2.084 1
1 383 . 5 1 1 A 38 38 GLU C C 38 176.207 175.001 1.206 1
1 384 . 5 1 1 A 39 39 LYS N N 39 123.687 118.928 4.759 1
1 385 . 5 1 1 A 39 39 LYS H H 39 8.412 7.717 0.695 1
1 386 . 5 1 1 A 39 39 LYS CA C 39 54.062 52.873 1.189 1
1 387 . 5 1 1 A 39 39 LYS HA H 39 4.621 4.800 -0.179 1
1 388 . 5 1 1 A 39 39 LYS CB C 39 32.571 33.746 -1.175 1
1 400 . 5 1 1 A 39 39 LYS C C 39 174.427 174.495 -0.068 1
1 401 . 5 1 1 A 40 40 PRO CA C 40 63.207 62.234 0.973 1
1 402 . 5 1 1 A 40 40 PRO HA H 40 4.475 4.741 -0.266 1
1 403 . 5 1 1 A 40 40 PRO CB C 40 32.205 29.932 2.273 1
1 412 . 5 1 1 A 41 41 SER N N 41 116.537 116.814 -0.277 1
1 413 . 5 1 1 A 41 41 SER H H 41 8.491 8.309 0.182 1
1 414 . 5 1 1 A 42 42 GLY CA C 42 44.661 45.732 -1.071 1
1 415 . 5 1 1 A 42 42 GLY HA2 H 42 4.174 4.112 0.062 1
1 416 . 5 1 1 A 42 42 GLY HA3 H 42 4.114 4.116 -0.002 1
1 417 . 5 1 1 A 43 43 PRO CA C 43 63.206 62.845 0.361 1
1 418 . 5 1 1 A 43 43 PRO HA H 43 4.479 4.651 -0.172 1
1 419 . 5 1 1 A 43 43 PRO CB C 43 32.187 31.346 0.841 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.470 44.545 0.925 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 4.008 4.187 -0.179 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 4.008 4.190 -0.182 1
1 4 . 6 1 1 A 7 7 GLY C C 7 174.519 175.015 -0.496 1
1 5 . 6 1 1 A 8 8 THR N N 8 112.809 114.719 -1.910 1
1 6 . 6 1 1 A 8 8 THR H H 8 8.167 8.655 -0.488 1
1 7 . 6 1 1 A 8 8 THR CA C 8 61.860 66.269 -4.409 1
1 8 . 6 1 1 A 8 8 THR HA H 8 4.388 4.219 0.169 1
1 9 . 6 1 1 A 8 8 THR CB C 8 69.699 68.938 0.761 1
1 15 . 6 1 1 A 8 8 THR C C 8 175.277 175.143 0.134 1
1 16 . 6 1 1 A 9 9 GLY CA C 9 45.306 44.636 0.670 1
1 17 . 6 1 1 A 9 9 GLY HA2 H 9 3.979 3.984 -0.005 1
1 18 . 6 1 1 A 9 9 GLY HA3 H 9 3.938 3.984 -0.046 1
1 19 . 6 1 1 A 9 9 GLY C C 9 174.001 172.204 1.797 1
1 20 . 6 1 1 A 10 10 GLU N N 10 120.420 122.352 -1.932 1
1 21 . 6 1 1 A 10 10 GLU H H 10 8.230 8.541 -0.311 1
1 22 . 6 1 1 A 10 10 GLU CA C 10 56.759 55.733 1.026 1
1 23 . 6 1 1 A 10 10 GLU HA H 10 4.223 4.605 -0.382 1
1 24 . 6 1 1 A 10 10 GLU CB C 10 30.471 30.616 -0.145 1
1 30 . 6 1 1 A 10 10 GLU C C 10 176.269 176.232 0.037 1
1 31 . 6 1 1 A 11 11 LYS N N 11 122.538 125.540 -3.002 1
1 32 . 6 1 1 A 11 11 LYS H H 11 8.294 8.351 -0.057 1
1 33 . 6 1 1 A 11 11 LYS CA C 11 53.942 55.358 -1.416 1
1 34 . 6 1 1 A 11 11 LYS HA H 11 4.522 4.269 0.253 1
1 35 . 6 1 1 A 11 11 LYS CB C 11 32.707 32.527 0.180 1
1 47 . 6 1 1 A 11 11 LYS C C 11 174.065 176.641 -2.576 1
1 48 . 6 1 1 A 12 12 PRO CA C 12 63.244 64.862 -1.618 1
1 49 . 6 1 1 A 12 12 PRO HA H 12 4.306 4.208 0.098 1
1 50 . 6 1 1 A 12 12 PRO CB C 12 32.290 31.585 0.705 1
1 59 . 6 1 1 A 12 12 PRO C C 12 176.129 175.866 0.263 1
1 60 . 6 1 1 A 13 13 TYR N N 13 118.690 118.118 0.572 1
1 61 . 6 1 1 A 13 13 TYR H H 13 8.094 7.076 1.018 1
1 62 . 6 1 1 A 13 13 TYR CA C 13 57.656 56.643 1.013 1
1 63 . 6 1 1 A 13 13 TYR HA H 13 4.596 5.376 -0.780 1
1 64 . 6 1 1 A 13 13 TYR CB C 13 38.758 41.699 -2.941 1
1 75 . 6 1 1 A 13 13 TYR C C 13 174.523 174.695 -0.172 1
1 76 . 6 1 1 A 14 14 GLU N N 14 124.311 121.288 3.023 1
1 77 . 6 1 1 A 14 14 GLU H H 14 8.612 8.809 -0.197 1
1 78 . 6 1 1 A 14 14 GLU CA C 14 54.972 56.353 -1.381 1
1 79 . 6 1 1 A 14 14 GLU HA H 14 4.858 4.944 -0.086 1
1 80 . 6 1 1 A 14 14 GLU CB C 14 33.017 33.593 -0.576 1
1 86 . 6 1 1 A 14 14 GLU C C 14 175.370 174.758 0.612 1
1 87 . 6 1 1 A 15 15 CYS N N 15 126.829 125.297 1.532 1
1 88 . 6 1 1 A 15 15 CYS H H 15 9.299 9.117 0.182 1
1 89 . 6 1 1 A 15 15 CYS CA C 15 59.489 59.619 -0.130 1
1 90 . 6 1 1 A 15 15 CYS HA H 15 4.615 4.714 -0.099 1
1 91 . 6 1 1 A 15 15 CYS CB C 15 29.588 28.803 0.785 1
1 94 . 6 1 1 A 15 15 CYS C C 15 177.251 175.070 2.181 1
1 95 . 6 1 1 A 16 16 SER CA C 16 60.823 59.749 1.074 1
1 96 . 6 1 1 A 16 16 SER HA H 16 4.324 4.478 -0.154 1
1 97 . 6 1 1 A 16 16 SER CB C 16 63.099 63.960 -0.861 1
1 100 . 6 1 1 A 16 16 SER C C 16 174.225 176.371 -2.146 1
1 101 . 6 1 1 A 17 17 ILE N N 17 123.696 121.709 1.987 1
1 102 . 6 1 1 A 17 17 ILE H H 17 8.607 7.633 0.974 1
1 103 . 6 1 1 A 17 17 ILE CA C 17 63.401 65.254 -1.853 1
1 104 . 6 1 1 A 17 17 ILE HA H 17 3.927 3.471 0.456 1
1 105 . 6 1 1 A 17 17 ILE CB C 17 38.358 38.034 0.324 1
1 118 . 6 1 1 A 17 17 ILE C C 17 176.969 177.505 -0.536 1
1 119 . 6 1 1 A 18 18 CYS N N 18 115.697 115.744 -0.047 1
1 120 . 6 1 1 A 18 18 CYS H H 18 8.021 7.210 0.811 1
1 121 . 6 1 1 A 18 18 CYS CA C 18 58.229 59.719 -1.490 1
1 122 . 6 1 1 A 18 18 CYS HA H 18 5.203 4.514 0.689 1
1 123 . 6 1 1 A 18 18 CYS CB C 18 32.739 29.344 3.395 1
1 126 . 6 1 1 A 18 18 CYS C C 18 176.506 175.225 1.281 1
1 127 . 6 1 1 A 19 19 GLY N N 19 113.451 110.363 3.088 1
1 128 . 6 1 1 A 19 19 GLY H H 19 8.148 8.187 -0.039 1
1 129 . 6 1 1 A 19 19 GLY CA C 19 46.236 45.287 0.949 1
1 130 . 6 1 1 A 19 19 GLY HA2 H 19 3.894 4.039 -0.145 1
1 131 . 6 1 1 A 19 19 GLY HA3 H 19 4.247 4.052 0.195 1
1 132 . 6 1 1 A 19 19 GLY C C 19 173.836 174.480 -0.644 1
1 133 . 6 1 1 A 20 20 LYS N N 20 122.918 120.268 2.650 1
1 134 . 6 1 1 A 20 20 LYS H H 20 7.971 7.297 0.674 1
1 135 . 6 1 1 A 20 20 LYS CA C 20 57.991 55.470 2.521 1
1 136 . 6 1 1 A 20 20 LYS HA H 20 4.043 4.433 -0.390 1
1 137 . 6 1 1 A 20 20 LYS CB C 20 33.587 34.346 -0.759 1
1 149 . 6 1 1 A 20 20 LYS C C 20 174.295 175.322 -1.027 1
1 150 . 6 1 1 A 21 21 SER N N 21 115.357 112.360 2.997 1
1 151 . 6 1 1 A 21 21 SER H H 21 7.819 8.299 -0.480 1
1 152 . 6 1 1 A 21 21 SER CA C 21 56.697 56.254 0.443 1
1 153 . 6 1 1 A 21 21 SER HA H 21 5.301 5.179 0.122 1
1 154 . 6 1 1 A 21 21 SER CB C 21 66.038 65.647 0.391 1
1 157 . 6 1 1 A 21 21 SER C C 21 173.121 172.778 0.343 1
1 158 . 6 1 1 A 22 22 PHE N N 22 118.204 119.030 -0.826 1
1 159 . 6 1 1 A 22 22 PHE H H 22 8.662 8.530 0.132 1
1 160 . 6 1 1 A 22 22 PHE CA C 22 57.284 56.702 0.582 1
1 161 . 6 1 1 A 22 22 PHE HA H 22 4.810 4.874 -0.064 1
1 162 . 6 1 1 A 22 22 PHE CB C 22 43.860 43.150 0.710 1
1 175 . 6 1 1 A 22 22 PHE C C 22 175.380 175.426 -0.046 1
1 176 . 6 1 1 A 23 23 THR N N 23 114.460 113.837 0.623 1
1 177 . 6 1 1 A 23 23 THR H H 23 8.904 8.678 0.226 1
1 178 . 6 1 1 A 23 23 THR CA C 23 64.664 62.733 1.931 1
1 179 . 6 1 1 A 23 23 THR HA H 23 4.429 4.541 -0.112 1
1 180 . 6 1 1 A 23 23 THR CB C 23 69.577 69.282 0.295 1
1 186 . 6 1 1 A 23 23 THR C C 23 174.705 174.516 0.189 1
1 187 . 6 1 1 A 24 24 LYS N N 24 117.025 121.881 -4.856 1
1 188 . 6 1 1 A 24 24 LYS H H 24 7.637 7.605 0.032 1
1 189 . 6 1 1 A 24 24 LYS CA C 24 54.289 54.762 -0.473 1
1 190 . 6 1 1 A 24 24 LYS HA H 24 4.858 4.673 0.185 1
1 191 . 6 1 1 A 24 24 LYS CB C 24 35.986 34.402 1.584 1
1 203 . 6 1 1 A 24 24 LYS C C 24 176.551 176.053 0.498 1
1 204 . 6 1 1 A 25 25 LYS N N 25 127.352 126.665 0.687 1
1 205 . 6 1 1 A 25 25 LYS H H 25 8.516 8.650 -0.134 1
1 206 . 6 1 1 A 25 25 LYS CA C 25 59.682 59.530 0.152 1
1 207 . 6 1 1 A 25 25 LYS HA H 25 2.925 2.591 0.334 1
1 208 . 6 1 1 A 25 25 LYS CB C 25 31.703 31.703 0.000 1
1 220 . 6 1 1 A 25 25 LYS C C 25 178.182 177.513 0.669 1
1 221 . 6 1 1 A 26 26 SER CA C 26 60.759 61.584 -0.825 1
1 222 . 6 1 1 A 26 26 SER HA H 26 4.015 4.029 -0.014 1
1 223 . 6 1 1 A 26 26 SER CB C 26 61.414 62.929 -1.515 1
1 226 . 6 1 1 A 26 26 SER C C 26 176.943 177.134 -0.191 1
1 227 . 6 1 1 A 27 27 GLN N N 27 120.004 121.046 -1.042 1
1 228 . 6 1 1 A 27 27 GLN H H 27 6.690 7.711 -1.021 1
1 229 . 6 1 1 A 27 27 GLN CA C 27 57.577 58.945 -1.368 1
1 230 . 6 1 1 A 27 27 GLN HA H 27 3.973 3.865 0.108 1
1 231 . 6 1 1 A 27 27 GLN CB C 27 28.433 28.102 0.331 1
1 240 . 6 1 1 A 27 27 GLN C C 27 178.831 178.037 0.794 1
1 241 . 6 1 1 A 28 28 LEU N N 28 121.687 121.167 0.520 1
1 242 . 6 1 1 A 28 28 LEU H H 28 6.973 7.115 -0.142 1
1 243 . 6 1 1 A 28 28 LEU CA C 28 57.775 57.519 0.256 1
1 244 . 6 1 1 A 28 28 LEU HA H 28 3.277 3.118 0.159 1
1 245 . 6 1 1 A 28 28 LEU CB C 28 40.177 41.517 -1.340 1
1 258 . 6 1 1 A 28 28 LEU C C 28 177.514 178.313 -0.799 1
1 259 . 6 1 1 A 29 29 HIS N N 29 118.184 118.005 0.179 1
1 260 . 6 1 1 A 29 29 HIS H H 29 8.049 7.999 0.050 1
1 261 . 6 1 1 A 29 29 HIS CA C 29 59.106 58.947 0.159 1
1 262 . 6 1 1 A 29 29 HIS HA H 29 4.409 4.146 0.263 1
1 263 . 6 1 1 A 29 29 HIS CB C 29 30.059 30.290 -0.231 1
1 270 . 6 1 1 A 29 29 HIS C C 29 178.350 177.769 0.581 1
1 271 . 6 1 1 A 30 30 VAL N N 30 118.277 119.062 -0.785 1
1 272 . 6 1 1 A 30 30 VAL H H 30 7.513 8.140 -0.627 1
1 273 . 6 1 1 A 30 30 VAL CA C 30 66.146 66.405 -0.259 1
1 274 . 6 1 1 A 30 30 VAL HA H 30 3.665 3.398 0.267 1
1 275 . 6 1 1 A 30 30 VAL CB C 30 32.158 31.381 0.777 1
1 285 . 6 1 1 A 30 30 VAL C C 30 178.807 178.096 0.711 1
1 286 . 6 1 1 A 31 31 HIS N N 31 119.980 119.643 0.337 1
1 287 . 6 1 1 A 31 31 HIS H H 31 7.606 8.160 -0.554 1
1 288 . 6 1 1 A 31 31 HIS CA C 31 59.357 59.791 -0.434 1
1 289 . 6 1 1 A 31 31 HIS HA H 31 4.165 4.039 0.126 1
1 290 . 6 1 1 A 31 31 HIS CB C 31 28.519 29.446 -0.927 1
1 297 . 6 1 1 A 31 31 HIS C C 31 176.287 176.473 -0.186 1
1 298 . 6 1 1 A 32 32 GLN N N 32 114.428 117.141 -2.713 1
1 299 . 6 1 1 A 32 32 GLN H H 32 8.425 8.486 -0.061 1
1 300 . 6 1 1 A 32 32 GLN CA C 32 59.301 59.326 -0.025 1
1 301 . 6 1 1 A 32 32 GLN HA H 32 3.688 3.791 -0.103 1
1 302 . 6 1 1 A 32 32 GLN CB C 32 28.202 28.270 -0.068 1
1 311 . 6 1 1 A 32 32 GLN C C 32 177.554 178.404 -0.850 1
1 312 . 6 1 1 A 33 33 GLN N N 33 117.108 119.059 -1.951 1
1 313 . 6 1 1 A 33 33 GLN H H 33 7.239 8.013 -0.774 1
1 314 . 6 1 1 A 33 33 GLN CA C 33 57.802 59.117 -1.315 1
1 315 . 6 1 1 A 33 33 GLN HA H 33 4.073 3.858 0.215 1
1 316 . 6 1 1 A 33 33 GLN CB C 33 28.374 28.112 0.262 1
1 325 . 6 1 1 A 33 33 GLN C C 33 178.214 178.266 -0.052 1
1 326 . 6 1 1 A 34 34 ILE N N 34 116.246 121.386 -5.140 1
1 327 . 6 1 1 A 34 34 ILE H H 34 7.802 7.925 -0.123 1
1 328 . 6 1 1 A 34 34 ILE CA C 34 63.058 63.713 -0.655 1
1 329 . 6 1 1 A 34 34 ILE HA H 34 3.997 3.678 0.319 1
1 330 . 6 1 1 A 34 34 ILE CB C 34 37.744 37.560 0.184 1
1 343 . 6 1 1 A 34 34 ILE C C 34 177.303 176.761 0.542 1
1 344 . 6 1 1 A 35 35 HIS N N 35 117.300 118.826 -1.526 1
1 345 . 6 1 1 A 35 35 HIS H H 35 7.168 7.516 -0.348 1
1 346 . 6 1 1 A 35 35 HIS CA C 35 55.082 54.711 0.371 1
1 347 . 6 1 1 A 35 35 HIS HA H 35 4.902 4.738 0.164 1
1 348 . 6 1 1 A 35 35 HIS CB C 35 28.700 28.504 0.196 1
1 355 . 6 1 1 A 35 35 HIS C C 35 175.645 175.718 -0.073 1
1 356 . 6 1 1 A 36 36 THR N N 36 112.636 114.455 -1.819 1
1 357 . 6 1 1 A 36 36 THR H H 36 7.742 7.537 0.205 1
1 358 . 6 1 1 A 36 36 THR CA C 36 62.837 63.202 -0.365 1
1 359 . 6 1 1 A 36 36 THR HA H 36 4.303 4.343 -0.040 1
1 360 . 6 1 1 A 36 36 THR CB C 36 69.713 70.200 -0.487 1
1 366 . 6 1 1 A 36 36 THR C C 36 175.349 174.647 0.702 1
1 367 . 6 1 1 A 37 37 GLY N N 37 110.952 109.461 1.491 1
1 368 . 6 1 1 A 37 37 GLY H H 37 8.329 8.042 0.287 1
1 369 . 6 1 1 A 37 37 GLY CA C 37 45.353 46.900 -1.547 1
1 370 . 6 1 1 A 37 37 GLY HA2 H 37 4.000 3.944 0.056 1
1 371 . 6 1 1 A 37 37 GLY HA3 H 37 4.000 3.946 0.054 1
1 372 . 6 1 1 A 37 37 GLY C C 37 174.021 173.366 0.655 1
1 373 . 6 1 1 A 38 38 GLU N N 38 120.547 121.902 -1.355 1
1 374 . 6 1 1 A 38 38 GLU H H 38 8.063 7.943 0.120 1
1 375 . 6 1 1 A 38 38 GLU CA C 38 56.431 55.352 1.079 1
1 376 . 6 1 1 A 38 38 GLU HA H 38 4.270 4.904 -0.634 1
1 377 . 6 1 1 A 38 38 GLU CB C 38 30.563 33.915 -3.352 1
1 383 . 6 1 1 A 38 38 GLU C C 38 176.207 174.245 1.962 1
1 384 . 6 1 1 A 39 39 LYS N N 39 123.687 126.595 -2.908 1
1 385 . 6 1 1 A 39 39 LYS H H 39 8.412 8.791 -0.379 1
1 386 . 6 1 1 A 39 39 LYS CA C 39 54.062 53.086 0.976 1
1 387 . 6 1 1 A 39 39 LYS HA H 39 4.621 4.740 -0.119 1
1 388 . 6 1 1 A 39 39 LYS CB C 39 32.571 32.915 -0.344 1
1 400 . 6 1 1 A 39 39 LYS C C 39 174.427 176.347 -1.920 1
1 401 . 6 1 1 A 40 40 PRO CA C 40 63.207 64.025 -0.818 1
1 402 . 6 1 1 A 40 40 PRO HA H 40 4.475 4.549 -0.074 1
1 403 . 6 1 1 A 40 40 PRO CB C 40 32.205 32.014 0.191 1
1 412 . 6 1 1 A 41 41 SER N N 41 116.537 114.872 1.665 1
1 413 . 6 1 1 A 41 41 SER H H 41 8.491 7.656 0.835 1
1 414 . 6 1 1 A 42 42 GLY CA C 42 44.661 45.539 -0.878 1
1 415 . 6 1 1 A 42 42 GLY HA2 H 42 4.174 4.168 0.006 1
1 416 . 6 1 1 A 42 42 GLY HA3 H 42 4.114 4.169 -0.055 1
1 417 . 6 1 1 A 43 43 PRO CA C 43 63.206 62.569 0.637 1
1 418 . 6 1 1 A 43 43 PRO HA H 43 4.479 4.637 -0.158 1
1 419 . 6 1 1 A 43 43 PRO CB C 43 32.187 31.059 1.128 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.470 44.693 0.777 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 4.008 4.371 -0.363 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 4.008 4.373 -0.365 1
1 4 . 7 1 1 A 7 7 GLY C C 7 174.519 171.899 2.620 1
1 5 . 7 1 1 A 8 8 THR N N 8 112.809 118.151 -5.342 1
1 6 . 7 1 1 A 8 8 THR H H 8 8.167 8.682 -0.515 1
1 7 . 7 1 1 A 8 8 THR CA C 8 61.860 60.411 1.449 1
1 8 . 7 1 1 A 8 8 THR HA H 8 4.388 4.751 -0.363 1
1 9 . 7 1 1 A 8 8 THR CB C 8 69.699 69.898 -0.199 1
1 15 . 7 1 1 A 8 8 THR C C 8 175.277 174.036 1.241 1
1 16 . 7 1 1 A 9 9 GLY CA C 9 45.306 46.981 -1.675 1
1 17 . 7 1 1 A 9 9 GLY HA2 H 9 3.979 3.845 0.134 1
1 18 . 7 1 1 A 9 9 GLY HA3 H 9 3.938 3.848 0.090 1
1 19 . 7 1 1 A 9 9 GLY C C 9 174.001 173.708 0.293 1
1 20 . 7 1 1 A 10 10 GLU N N 10 120.420 122.953 -2.533 1
1 21 . 7 1 1 A 10 10 GLU H H 10 8.230 7.946 0.284 1
1 22 . 7 1 1 A 10 10 GLU CA C 10 56.759 54.370 2.389 1
1 23 . 7 1 1 A 10 10 GLU HA H 10 4.223 4.879 -0.656 1
1 24 . 7 1 1 A 10 10 GLU CB C 10 30.471 32.830 -2.359 1
1 30 . 7 1 1 A 10 10 GLU C C 10 176.269 175.186 1.083 1
1 31 . 7 1 1 A 11 11 LYS N N 11 122.538 124.764 -2.226 1
1 32 . 7 1 1 A 11 11 LYS H H 11 8.294 8.527 -0.233 1
1 33 . 7 1 1 A 11 11 LYS CA C 11 53.942 55.192 -1.250 1
1 34 . 7 1 1 A 11 11 LYS HA H 11 4.522 4.265 0.257 1
1 35 . 7 1 1 A 11 11 LYS CB C 11 32.707 31.893 0.814 1
1 47 . 7 1 1 A 11 11 LYS C C 11 174.065 176.959 -2.894 1
1 48 . 7 1 1 A 12 12 PRO CA C 12 63.244 64.949 -1.705 1
1 49 . 7 1 1 A 12 12 PRO HA H 12 4.306 4.253 0.053 1
1 50 . 7 1 1 A 12 12 PRO CB C 12 32.290 31.548 0.742 1
1 59 . 7 1 1 A 12 12 PRO C C 12 176.129 175.847 0.282 1
1 60 . 7 1 1 A 13 13 TYR N N 13 118.690 118.290 0.400 1
1 61 . 7 1 1 A 13 13 TYR H H 13 8.094 7.243 0.851 1
1 62 . 7 1 1 A 13 13 TYR CA C 13 57.656 57.386 0.270 1
1 63 . 7 1 1 A 13 13 TYR HA H 13 4.596 5.082 -0.486 1
1 64 . 7 1 1 A 13 13 TYR CB C 13 38.758 41.183 -2.425 1
1 75 . 7 1 1 A 13 13 TYR C C 13 174.523 174.842 -0.319 1
1 76 . 7 1 1 A 14 14 GLU N N 14 124.311 121.328 2.983 1
1 77 . 7 1 1 A 14 14 GLU H H 14 8.612 8.813 -0.201 1
1 78 . 7 1 1 A 14 14 GLU CA C 14 54.972 55.826 -0.854 1
1 79 . 7 1 1 A 14 14 GLU HA H 14 4.858 4.788 0.070 1
1 80 . 7 1 1 A 14 14 GLU CB C 14 33.017 34.163 -1.146 1
1 86 . 7 1 1 A 14 14 GLU C C 14 175.370 174.611 0.759 1
1 87 . 7 1 1 A 15 15 CYS N N 15 126.829 125.099 1.730 1
1 88 . 7 1 1 A 15 15 CYS H H 15 9.299 9.181 0.118 1
1 89 . 7 1 1 A 15 15 CYS CA C 15 59.489 58.706 0.783 1
1 90 . 7 1 1 A 15 15 CYS HA H 15 4.615 4.697 -0.082 1
1 91 . 7 1 1 A 15 15 CYS CB C 15 29.588 28.622 0.966 1
1 94 . 7 1 1 A 15 15 CYS C C 15 177.251 176.102 1.149 1
1 95 . 7 1 1 A 16 16 SER CA C 16 60.823 58.369 2.454 1
1 96 . 7 1 1 A 16 16 SER HA H 16 4.324 4.684 -0.360 1
1 97 . 7 1 1 A 16 16 SER CB C 16 63.099 63.079 0.020 1
1 100 . 7 1 1 A 16 16 SER C C 16 174.225 175.259 -1.034 1
1 101 . 7 1 1 A 17 17 ILE N N 17 123.696 121.317 2.379 1
1 102 . 7 1 1 A 17 17 ILE H H 17 8.607 7.686 0.921 1
1 103 . 7 1 1 A 17 17 ILE CA C 17 63.401 62.605 0.796 1
1 104 . 7 1 1 A 17 17 ILE HA H 17 3.927 4.107 -0.180 1
1 105 . 7 1 1 A 17 17 ILE CB C 17 38.358 38.501 -0.143 1
1 118 . 7 1 1 A 17 17 ILE C C 17 176.969 177.640 -0.671 1
1 119 . 7 1 1 A 18 18 CYS N N 18 115.697 115.709 -0.012 1
1 120 . 7 1 1 A 18 18 CYS H H 18 8.021 8.014 0.007 1
1 121 . 7 1 1 A 18 18 CYS CA C 18 58.229 59.721 -1.492 1
1 122 . 7 1 1 A 18 18 CYS HA H 18 5.203 4.545 0.658 1
1 123 . 7 1 1 A 18 18 CYS CB C 18 32.739 29.284 3.455 1
1 126 . 7 1 1 A 18 18 CYS C C 18 176.506 175.078 1.428 1
1 127 . 7 1 1 A 19 19 GLY N N 19 113.451 109.751 3.700 1
1 128 . 7 1 1 A 19 19 GLY H H 19 8.148 7.952 0.196 1
1 129 . 7 1 1 A 19 19 GLY CA C 19 46.236 45.022 1.214 1
1 130 . 7 1 1 A 19 19 GLY HA2 H 19 3.894 4.099 -0.205 1
1 131 . 7 1 1 A 19 19 GLY HA3 H 19 4.247 4.107 0.140 1
1 132 . 7 1 1 A 19 19 GLY C C 19 173.836 174.412 -0.576 1
1 133 . 7 1 1 A 20 20 LYS N N 20 122.918 120.078 2.840 1
1 134 . 7 1 1 A 20 20 LYS H H 20 7.971 7.936 0.035 1
1 135 . 7 1 1 A 20 20 LYS CA C 20 57.991 55.560 2.431 1
1 136 . 7 1 1 A 20 20 LYS HA H 20 4.043 4.549 -0.506 1
1 137 . 7 1 1 A 20 20 LYS CB C 20 33.587 34.364 -0.777 1
1 149 . 7 1 1 A 20 20 LYS C C 20 174.295 175.285 -0.990 1
1 150 . 7 1 1 A 21 21 SER N N 21 115.357 114.818 0.539 1
1 151 . 7 1 1 A 21 21 SER H H 21 7.819 8.305 -0.486 1
1 152 . 7 1 1 A 21 21 SER CA C 21 56.697 57.259 -0.562 1
1 153 . 7 1 1 A 21 21 SER HA H 21 5.301 4.959 0.342 1
1 154 . 7 1 1 A 21 21 SER CB C 21 66.038 66.643 -0.605 1
1 157 . 7 1 1 A 21 21 SER C C 21 173.121 172.764 0.357 1
1 158 . 7 1 1 A 22 22 PHE N N 22 118.204 122.328 -4.124 1
1 159 . 7 1 1 A 22 22 PHE H H 22 8.662 8.714 -0.052 1
1 160 . 7 1 1 A 22 22 PHE CA C 22 57.284 56.352 0.932 1
1 161 . 7 1 1 A 22 22 PHE HA H 22 4.810 5.046 -0.236 1
1 162 . 7 1 1 A 22 22 PHE CB C 22 43.860 43.590 0.270 1
1 175 . 7 1 1 A 22 22 PHE C C 22 175.380 175.020 0.360 1
1 176 . 7 1 1 A 23 23 THR N N 23 114.460 112.658 1.802 1
1 177 . 7 1 1 A 23 23 THR H H 23 8.904 8.627 0.277 1
1 178 . 7 1 1 A 23 23 THR CA C 23 64.664 61.309 3.355 1
1 179 . 7 1 1 A 23 23 THR HA H 23 4.429 5.052 -0.623 1
1 180 . 7 1 1 A 23 23 THR CB C 23 69.577 69.829 -0.252 1
1 186 . 7 1 1 A 23 23 THR C C 23 174.705 174.242 0.463 1
1 187 . 7 1 1 A 24 24 LYS N N 24 117.025 120.278 -3.253 1
1 188 . 7 1 1 A 24 24 LYS H H 24 7.637 7.439 0.198 1
1 189 . 7 1 1 A 24 24 LYS CA C 24 54.289 54.602 -0.313 1
1 190 . 7 1 1 A 24 24 LYS HA H 24 4.858 4.462 0.396 1
1 191 . 7 1 1 A 24 24 LYS CB C 24 35.986 35.668 0.318 1
1 203 . 7 1 1 A 24 24 LYS C C 24 176.551 176.110 0.441 1
1 204 . 7 1 1 A 25 25 LYS N N 25 127.352 124.443 2.909 1
1 205 . 7 1 1 A 25 25 LYS H H 25 8.516 8.453 0.063 1
1 206 . 7 1 1 A 25 25 LYS CA C 25 59.682 59.819 -0.137 1
1 207 . 7 1 1 A 25 25 LYS HA H 25 2.925 3.341 -0.416 1
1 208 . 7 1 1 A 25 25 LYS CB C 25 31.703 31.730 -0.027 1
1 220 . 7 1 1 A 25 25 LYS C C 25 178.182 178.296 -0.114 1
1 221 . 7 1 1 A 26 26 SER CA C 26 60.759 61.453 -0.694 1
1 222 . 7 1 1 A 26 26 SER HA H 26 4.015 3.843 0.172 1
1 223 . 7 1 1 A 26 26 SER CB C 26 61.414 62.818 -1.404 1
1 226 . 7 1 1 A 26 26 SER C C 26 176.943 177.123 -0.180 1
1 227 . 7 1 1 A 27 27 GLN N N 27 120.004 121.539 -1.535 1
1 228 . 7 1 1 A 27 27 GLN H H 27 6.690 7.572 -0.882 1
1 229 . 7 1 1 A 27 27 GLN CA C 27 57.577 58.877 -1.300 1
1 230 . 7 1 1 A 27 27 GLN HA H 27 3.973 3.847 0.126 1
1 231 . 7 1 1 A 27 27 GLN CB C 27 28.433 27.957 0.476 1
1 240 . 7 1 1 A 27 27 GLN C C 27 178.831 178.082 0.749 1
1 241 . 7 1 1 A 28 28 LEU N N 28 121.687 121.455 0.232 1
1 242 . 7 1 1 A 28 28 LEU H H 28 6.973 7.424 -0.451 1
1 243 . 7 1 1 A 28 28 LEU CA C 28 57.775 57.689 0.086 1
1 244 . 7 1 1 A 28 28 LEU HA H 28 3.277 3.192 0.085 1
1 245 . 7 1 1 A 28 28 LEU CB C 28 40.177 41.856 -1.679 1
1 258 . 7 1 1 A 28 28 LEU C C 28 177.514 178.529 -1.015 1
1 259 . 7 1 1 A 29 29 HIS N N 29 118.184 117.870 0.314 1
1 260 . 7 1 1 A 29 29 HIS H H 29 8.049 8.556 -0.507 1
1 261 . 7 1 1 A 29 29 HIS CA C 29 59.106 59.073 0.033 1
1 262 . 7 1 1 A 29 29 HIS HA H 29 4.409 4.147 0.262 1
1 263 . 7 1 1 A 29 29 HIS CB C 29 30.059 30.096 -0.037 1
1 270 . 7 1 1 A 29 29 HIS C C 29 178.350 177.649 0.701 1
1 271 . 7 1 1 A 30 30 VAL N N 30 118.277 118.971 -0.694 1
1 272 . 7 1 1 A 30 30 VAL H H 30 7.513 8.111 -0.598 1
1 273 . 7 1 1 A 30 30 VAL CA C 30 66.146 66.256 -0.110 1
1 274 . 7 1 1 A 30 30 VAL HA H 30 3.665 3.428 0.237 1
1 275 . 7 1 1 A 30 30 VAL CB C 30 32.158 31.433 0.725 1
1 285 . 7 1 1 A 30 30 VAL C C 30 178.807 178.113 0.694 1
1 286 . 7 1 1 A 31 31 HIS N N 31 119.980 119.199 0.781 1
1 287 . 7 1 1 A 31 31 HIS H H 31 7.606 8.451 -0.845 1
1 288 . 7 1 1 A 31 31 HIS CA C 31 59.357 59.990 -0.633 1
1 289 . 7 1 1 A 31 31 HIS HA H 31 4.165 4.002 0.163 1
1 290 . 7 1 1 A 31 31 HIS CB C 31 28.519 29.326 -0.807 1
1 297 . 7 1 1 A 31 31 HIS C C 31 176.287 176.436 -0.149 1
1 298 . 7 1 1 A 32 32 GLN N N 32 114.428 117.065 -2.637 1
1 299 . 7 1 1 A 32 32 GLN H H 32 8.425 8.258 0.167 1
1 300 . 7 1 1 A 32 32 GLN CA C 32 59.301 59.263 0.038 1
1 301 . 7 1 1 A 32 32 GLN HA H 32 3.688 3.784 -0.096 1
1 302 . 7 1 1 A 32 32 GLN CB C 32 28.202 28.180 0.022 1
1 311 . 7 1 1 A 32 32 GLN C C 32 177.554 178.610 -1.056 1
1 312 . 7 1 1 A 33 33 GLN N N 33 117.108 118.981 -1.873 1
1 313 . 7 1 1 A 33 33 GLN H H 33 7.239 8.044 -0.805 1
1 314 . 7 1 1 A 33 33 GLN CA C 33 57.802 59.077 -1.275 1
1 315 . 7 1 1 A 33 33 GLN HA H 33 4.073 3.874 0.199 1
1 316 . 7 1 1 A 33 33 GLN CB C 33 28.374 28.125 0.249 1
1 325 . 7 1 1 A 33 33 GLN C C 33 178.214 178.025 0.189 1
1 326 . 7 1 1 A 34 34 ILE N N 34 116.246 121.019 -4.773 1
1 327 . 7 1 1 A 34 34 ILE H H 34 7.802 7.867 -0.065 1
1 328 . 7 1 1 A 34 34 ILE CA C 34 63.058 64.085 -1.027 1
1 329 . 7 1 1 A 34 34 ILE HA H 34 3.997 3.667 0.330 1
1 330 . 7 1 1 A 34 34 ILE CB C 34 37.744 37.546 0.198 1
1 343 . 7 1 1 A 34 34 ILE C C 34 177.303 177.656 -0.353 1
1 344 . 7 1 1 A 35 35 HIS N N 35 117.300 117.864 -0.564 1
1 345 . 7 1 1 A 35 35 HIS H H 35 7.168 7.354 -0.186 1
1 346 . 7 1 1 A 35 35 HIS CA C 35 55.082 58.720 -3.638 1
1 347 . 7 1 1 A 35 35 HIS HA H 35 4.902 4.373 0.529 1
1 348 . 7 1 1 A 35 35 HIS CB C 35 28.700 30.128 -1.428 1
1 355 . 7 1 1 A 35 35 HIS C C 35 175.645 176.049 -0.404 1
1 356 . 7 1 1 A 36 36 THR N N 36 112.636 112.482 0.154 1
1 357 . 7 1 1 A 36 36 THR H H 36 7.742 7.495 0.247 1
1 358 . 7 1 1 A 36 36 THR CA C 36 62.837 63.451 -0.614 1
1 359 . 7 1 1 A 36 36 THR HA H 36 4.303 4.067 0.236 1
1 360 . 7 1 1 A 36 36 THR CB C 36 69.713 69.240 0.473 1
1 366 . 7 1 1 A 36 36 THR C C 36 175.349 174.667 0.682 1
1 367 . 7 1 1 A 37 37 GLY N N 37 110.952 113.525 -2.573 1
1 368 . 7 1 1 A 37 37 GLY H H 37 8.329 8.442 -0.113 1
1 369 . 7 1 1 A 37 37 GLY CA C 37 45.353 45.484 -0.131 1
1 370 . 7 1 1 A 37 37 GLY HA2 H 37 4.000 4.160 -0.160 1
1 371 . 7 1 1 A 37 37 GLY HA3 H 37 4.000 4.162 -0.162 1
1 372 . 7 1 1 A 37 37 GLY C C 37 174.021 173.858 0.163 1
1 373 . 7 1 1 A 38 38 GLU N N 38 120.547 121.600 -1.053 1
1 374 . 7 1 1 A 38 38 GLU H H 38 8.063 7.953 0.110 1
1 375 . 7 1 1 A 38 38 GLU CA C 38 56.431 55.172 1.259 1
1 376 . 7 1 1 A 38 38 GLU HA H 38 4.270 4.672 -0.402 1
1 377 . 7 1 1 A 38 38 GLU CB C 38 30.563 30.543 0.020 1
1 383 . 7 1 1 A 38 38 GLU C C 38 176.207 174.928 1.279 1
1 384 . 7 1 1 A 39 39 LYS N N 39 123.687 127.504 -3.817 1
1 385 . 7 1 1 A 39 39 LYS H H 39 8.412 8.558 -0.146 1
1 386 . 7 1 1 A 39 39 LYS CA C 39 54.062 52.826 1.236 1
1 387 . 7 1 1 A 39 39 LYS HA H 39 4.621 4.946 -0.325 1
1 388 . 7 1 1 A 39 39 LYS CB C 39 32.571 33.686 -1.115 1
1 400 . 7 1 1 A 39 39 LYS C C 39 174.427 175.058 -0.631 1
1 401 . 7 1 1 A 40 40 PRO CA C 40 63.207 65.367 -2.160 1
1 402 . 7 1 1 A 40 40 PRO HA H 40 4.475 4.366 0.109 1
1 403 . 7 1 1 A 40 40 PRO CB C 40 32.205 31.998 0.207 1
1 412 . 7 1 1 A 41 41 SER N N 41 116.537 110.309 6.228 1
1 413 . 7 1 1 A 41 41 SER H H 41 8.491 7.850 0.641 1
1 414 . 7 1 1 A 42 42 GLY CA C 42 44.661 45.597 -0.936 1
1 415 . 7 1 1 A 42 42 GLY HA2 H 42 4.174 4.247 -0.073 1
1 416 . 7 1 1 A 42 42 GLY HA3 H 42 4.114 4.247 -0.133 1
1 417 . 7 1 1 A 43 43 PRO CA C 43 63.206 64.641 -1.435 1
1 418 . 7 1 1 A 43 43 PRO HA H 43 4.479 4.429 0.050 1
1 419 . 7 1 1 A 43 43 PRO CB C 43 32.187 32.028 0.159 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.470 45.331 0.139 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 4.008 4.189 -0.181 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 4.008 4.190 -0.182 1
1 4 . 8 1 1 A 7 7 GLY C C 7 174.519 172.188 2.331 1
1 5 . 8 1 1 A 8 8 THR N N 8 112.809 117.573 -4.764 1
1 6 . 8 1 1 A 8 8 THR H H 8 8.167 8.655 -0.488 1
1 7 . 8 1 1 A 8 8 THR CA C 8 61.860 60.417 1.443 1
1 8 . 8 1 1 A 8 8 THR HA H 8 4.388 4.906 -0.518 1
1 9 . 8 1 1 A 8 8 THR CB C 8 69.699 71.225 -1.526 1
1 15 . 8 1 1 A 8 8 THR C C 8 175.277 173.692 1.585 1
1 16 . 8 1 1 A 9 9 GLY CA C 9 45.306 45.791 -0.485 1
1 17 . 8 1 1 A 9 9 GLY HA2 H 9 3.979 4.101 -0.122 1
1 18 . 8 1 1 A 9 9 GLY HA3 H 9 3.938 4.106 -0.168 1
1 19 . 8 1 1 A 9 9 GLY C C 9 174.001 174.531 -0.530 1
1 20 . 8 1 1 A 10 10 GLU N N 10 120.420 119.575 0.845 1
1 21 . 8 1 1 A 10 10 GLU H H 10 8.230 8.015 0.215 1
1 22 . 8 1 1 A 10 10 GLU CA C 10 56.759 56.250 0.509 1
1 23 . 8 1 1 A 10 10 GLU HA H 10 4.223 4.321 -0.098 1
1 24 . 8 1 1 A 10 10 GLU CB C 10 30.471 30.374 0.097 1
1 30 . 8 1 1 A 10 10 GLU C C 10 176.269 175.939 0.330 1
1 31 . 8 1 1 A 11 11 LYS N N 11 122.538 124.358 -1.820 1
1 32 . 8 1 1 A 11 11 LYS H H 11 8.294 8.344 -0.050 1
1 33 . 8 1 1 A 11 11 LYS CA C 11 53.942 53.199 0.743 1
1 34 . 8 1 1 A 11 11 LYS HA H 11 4.522 4.723 -0.201 1
1 35 . 8 1 1 A 11 11 LYS CB C 11 32.707 33.404 -0.697 1
1 47 . 8 1 1 A 11 11 LYS C C 11 174.065 176.222 -2.157 1
1 48 . 8 1 1 A 12 12 PRO CA C 12 63.244 64.421 -1.177 1
1 49 . 8 1 1 A 12 12 PRO HA H 12 4.306 4.212 0.094 1
1 50 . 8 1 1 A 12 12 PRO CB C 12 32.290 31.721 0.569 1
1 59 . 8 1 1 A 12 12 PRO C C 12 176.129 175.695 0.434 1
1 60 . 8 1 1 A 13 13 TYR N N 13 118.690 118.100 0.590 1
1 61 . 8 1 1 A 13 13 TYR H H 13 8.094 6.990 1.104 1
1 62 . 8 1 1 A 13 13 TYR CA C 13 57.656 56.947 0.709 1
1 63 . 8 1 1 A 13 13 TYR HA H 13 4.596 5.386 -0.790 1
1 64 . 8 1 1 A 13 13 TYR CB C 13 38.758 42.180 -3.422 1
1 75 . 8 1 1 A 13 13 TYR C C 13 174.523 174.385 0.138 1
1 76 . 8 1 1 A 14 14 GLU N N 14 124.311 123.656 0.655 1
1 77 . 8 1 1 A 14 14 GLU H H 14 8.612 9.155 -0.543 1
1 78 . 8 1 1 A 14 14 GLU CA C 14 54.972 54.659 0.313 1
1 79 . 8 1 1 A 14 14 GLU HA H 14 4.858 5.196 -0.338 1
1 80 . 8 1 1 A 14 14 GLU CB C 14 33.017 33.510 -0.493 1
1 86 . 8 1 1 A 14 14 GLU C C 14 175.370 174.875 0.495 1
1 87 . 8 1 1 A 15 15 CYS N N 15 126.829 124.554 2.275 1
1 88 . 8 1 1 A 15 15 CYS H H 15 9.299 9.299 0.000 1
1 89 . 8 1 1 A 15 15 CYS CA C 15 59.489 58.478 1.011 1
1 90 . 8 1 1 A 15 15 CYS HA H 15 4.615 4.774 -0.159 1
1 91 . 8 1 1 A 15 15 CYS CB C 15 29.588 28.875 0.713 1
1 94 . 8 1 1 A 15 15 CYS C C 15 177.251 176.201 1.050 1
1 95 . 8 1 1 A 16 16 SER CA C 16 60.823 58.619 2.204 1
1 96 . 8 1 1 A 16 16 SER HA H 16 4.324 4.668 -0.344 1
1 97 . 8 1 1 A 16 16 SER CB C 16 63.099 63.185 -0.086 1
1 100 . 8 1 1 A 16 16 SER C C 16 174.225 175.387 -1.162 1
1 101 . 8 1 1 A 17 17 ILE N N 17 123.696 119.964 3.732 1
1 102 . 8 1 1 A 17 17 ILE H H 17 8.607 7.648 0.959 1
1 103 . 8 1 1 A 17 17 ILE CA C 17 63.401 62.725 0.676 1
1 104 . 8 1 1 A 17 17 ILE HA H 17 3.927 4.039 -0.112 1
1 105 . 8 1 1 A 17 17 ILE CB C 17 38.358 38.649 -0.291 1
1 118 . 8 1 1 A 17 17 ILE C C 17 176.969 177.622 -0.653 1
1 119 . 8 1 1 A 18 18 CYS N N 18 115.697 115.980 -0.283 1
1 120 . 8 1 1 A 18 18 CYS H H 18 8.021 8.068 -0.047 1
1 121 . 8 1 1 A 18 18 CYS CA C 18 58.229 59.717 -1.488 1
1 122 . 8 1 1 A 18 18 CYS HA H 18 5.203 4.569 0.634 1
1 123 . 8 1 1 A 18 18 CYS CB C 18 32.739 29.563 3.176 1
1 126 . 8 1 1 A 18 18 CYS C C 18 176.506 175.269 1.237 1
1 127 . 8 1 1 A 19 19 GLY N N 19 113.451 109.421 4.030 1
1 128 . 8 1 1 A 19 19 GLY H H 19 8.148 7.995 0.153 1
1 129 . 8 1 1 A 19 19 GLY CA C 19 46.236 45.329 0.907 1
1 130 . 8 1 1 A 19 19 GLY HA2 H 19 3.894 4.039 -0.145 1
1 131 . 8 1 1 A 19 19 GLY HA3 H 19 4.247 4.049 0.198 1
1 132 . 8 1 1 A 19 19 GLY C C 19 173.836 174.809 -0.973 1
1 133 . 8 1 1 A 20 20 LYS N N 20 122.918 121.091 1.827 1
1 134 . 8 1 1 A 20 20 LYS H H 20 7.971 7.608 0.363 1
1 135 . 8 1 1 A 20 20 LYS CA C 20 57.991 56.770 1.221 1
1 136 . 8 1 1 A 20 20 LYS HA H 20 4.043 4.183 -0.140 1
1 137 . 8 1 1 A 20 20 LYS CB C 20 33.587 33.473 0.114 1
1 149 . 8 1 1 A 20 20 LYS C C 20 174.295 174.766 -0.471 1
1 150 . 8 1 1 A 21 21 SER N N 21 115.357 114.688 0.669 1
1 151 . 8 1 1 A 21 21 SER H H 21 7.819 8.226 -0.407 1
1 152 . 8 1 1 A 21 21 SER CA C 21 56.697 57.312 -0.615 1
1 153 . 8 1 1 A 21 21 SER HA H 21 5.301 4.975 0.326 1
1 154 . 8 1 1 A 21 21 SER CB C 21 66.038 66.187 -0.149 1
1 157 . 8 1 1 A 21 21 SER C C 21 173.121 172.879 0.242 1
1 158 . 8 1 1 A 22 22 PHE N N 22 118.204 120.738 -2.534 1
1 159 . 8 1 1 A 22 22 PHE H H 22 8.662 9.174 -0.512 1
1 160 . 8 1 1 A 22 22 PHE CA C 22 57.284 56.686 0.598 1
1 161 . 8 1 1 A 22 22 PHE HA H 22 4.810 4.880 -0.070 1
1 162 . 8 1 1 A 22 22 PHE CB C 22 43.860 43.414 0.446 1
1 175 . 8 1 1 A 22 22 PHE C C 22 175.380 175.593 -0.213 1
1 176 . 8 1 1 A 23 23 THR N N 23 114.460 115.177 -0.717 1
1 177 . 8 1 1 A 23 23 THR H H 23 8.904 8.663 0.241 1
1 178 . 8 1 1 A 23 23 THR CA C 23 64.664 63.349 1.315 1
1 179 . 8 1 1 A 23 23 THR HA H 23 4.429 4.420 0.009 1
1 180 . 8 1 1 A 23 23 THR CB C 23 69.577 69.065 0.512 1
1 186 . 8 1 1 A 23 23 THR C C 23 174.705 174.724 -0.019 1
1 187 . 8 1 1 A 24 24 LYS N N 24 117.025 122.033 -5.008 1
1 188 . 8 1 1 A 24 24 LYS H H 24 7.637 7.628 0.009 1
1 189 . 8 1 1 A 24 24 LYS CA C 24 54.289 54.643 -0.354 1
1 190 . 8 1 1 A 24 24 LYS HA H 24 4.858 4.706 0.152 1
1 191 . 8 1 1 A 24 24 LYS CB C 24 35.986 34.522 1.464 1
1 203 . 8 1 1 A 24 24 LYS C C 24 176.551 176.076 0.475 1
1 204 . 8 1 1 A 25 25 LYS N N 25 127.352 126.464 0.888 1
1 205 . 8 1 1 A 25 25 LYS H H 25 8.516 8.531 -0.015 1
1 206 . 8 1 1 A 25 25 LYS CA C 25 59.682 59.208 0.474 1
1 207 . 8 1 1 A 25 25 LYS HA H 25 2.925 2.658 0.267 1
1 208 . 8 1 1 A 25 25 LYS CB C 25 31.703 31.521 0.182 1
1 220 . 8 1 1 A 25 25 LYS C C 25 178.182 177.317 0.865 1
1 221 . 8 1 1 A 26 26 SER CA C 26 60.759 61.408 -0.649 1
1 222 . 8 1 1 A 26 26 SER HA H 26 4.015 3.875 0.140 1
1 223 . 8 1 1 A 26 26 SER CB C 26 61.414 62.931 -1.517 1
1 226 . 8 1 1 A 26 26 SER C C 26 176.943 177.268 -0.325 1
1 227 . 8 1 1 A 27 27 GLN N N 27 120.004 121.131 -1.127 1
1 228 . 8 1 1 A 27 27 GLN H H 27 6.690 7.923 -1.233 1
1 229 . 8 1 1 A 27 27 GLN CA C 27 57.577 58.928 -1.351 1
1 230 . 8 1 1 A 27 27 GLN HA H 27 3.973 3.869 0.104 1
1 231 . 8 1 1 A 27 27 GLN CB C 27 28.433 28.085 0.348 1
1 240 . 8 1 1 A 27 27 GLN C C 27 178.831 178.057 0.774 1
1 241 . 8 1 1 A 28 28 LEU N N 28 121.687 120.835 0.852 1
1 242 . 8 1 1 A 28 28 LEU H H 28 6.973 7.316 -0.343 1
1 243 . 8 1 1 A 28 28 LEU CA C 28 57.775 57.636 0.139 1
1 244 . 8 1 1 A 28 28 LEU HA H 28 3.277 3.173 0.104 1
1 245 . 8 1 1 A 28 28 LEU CB C 28 40.177 41.733 -1.556 1
1 258 . 8 1 1 A 28 28 LEU C C 28 177.514 178.428 -0.914 1
1 259 . 8 1 1 A 29 29 HIS N N 29 118.184 117.859 0.325 1
1 260 . 8 1 1 A 29 29 HIS H H 29 8.049 7.866 0.183 1
1 261 . 8 1 1 A 29 29 HIS CA C 29 59.106 59.471 -0.365 1
1 262 . 8 1 1 A 29 29 HIS HA H 29 4.409 4.178 0.231 1
1 263 . 8 1 1 A 29 29 HIS CB C 29 30.059 30.127 -0.068 1
1 270 . 8 1 1 A 29 29 HIS C C 29 178.350 177.891 0.459 1
1 271 . 8 1 1 A 30 30 VAL N N 30 118.277 119.352 -1.075 1
1 272 . 8 1 1 A 30 30 VAL H H 30 7.513 8.033 -0.520 1
1 273 . 8 1 1 A 30 30 VAL CA C 30 66.146 65.970 0.176 1
1 274 . 8 1 1 A 30 30 VAL HA H 30 3.665 3.401 0.264 1
1 275 . 8 1 1 A 30 30 VAL CB C 30 32.158 31.668 0.490 1
1 285 . 8 1 1 A 30 30 VAL C C 30 178.807 177.951 0.856 1
1 286 . 8 1 1 A 31 31 HIS N N 31 119.980 119.111 0.869 1
1 287 . 8 1 1 A 31 31 HIS H H 31 7.606 8.267 -0.661 1
1 288 . 8 1 1 A 31 31 HIS CA C 31 59.357 60.064 -0.707 1
1 289 . 8 1 1 A 31 31 HIS HA H 31 4.165 4.029 0.136 1
1 290 . 8 1 1 A 31 31 HIS CB C 31 28.519 29.369 -0.850 1
1 297 . 8 1 1 A 31 31 HIS C C 31 176.287 176.626 -0.339 1
1 298 . 8 1 1 A 32 32 GLN N N 32 114.428 117.120 -2.692 1
1 299 . 8 1 1 A 32 32 GLN H H 32 8.425 8.088 0.337 1
1 300 . 8 1 1 A 32 32 GLN CA C 32 59.301 59.003 0.298 1
1 301 . 8 1 1 A 32 32 GLN HA H 32 3.688 3.794 -0.106 1
1 302 . 8 1 1 A 32 32 GLN CB C 32 28.202 28.115 0.087 1
1 311 . 8 1 1 A 32 32 GLN C C 32 177.554 178.579 -1.025 1
1 312 . 8 1 1 A 33 33 GLN N N 33 117.108 118.942 -1.834 1
1 313 . 8 1 1 A 33 33 GLN H H 33 7.239 7.954 -0.715 1
1 314 . 8 1 1 A 33 33 GLN CA C 33 57.802 58.836 -1.034 1
1 315 . 8 1 1 A 33 33 GLN HA H 33 4.073 3.918 0.155 1
1 316 . 8 1 1 A 33 33 GLN CB C 33 28.374 28.155 0.219 1
1 325 . 8 1 1 A 33 33 GLN C C 33 178.214 178.876 -0.662 1
1 326 . 8 1 1 A 34 34 ILE N N 34 116.246 119.934 -3.688 1
1 327 . 8 1 1 A 34 34 ILE H H 34 7.802 8.078 -0.276 1
1 328 . 8 1 1 A 34 34 ILE CA C 34 63.058 63.288 -0.230 1
1 329 . 8 1 1 A 34 34 ILE HA H 34 3.997 3.769 0.228 1
1 330 . 8 1 1 A 34 34 ILE CB C 34 37.744 37.319 0.425 1
1 343 . 8 1 1 A 34 34 ILE C C 34 177.303 177.282 0.021 1
1 344 . 8 1 1 A 35 35 HIS N N 35 117.300 119.492 -2.192 1
1 345 . 8 1 1 A 35 35 HIS H H 35 7.168 7.389 -0.221 1
1 346 . 8 1 1 A 35 35 HIS CA C 35 55.082 58.893 -3.811 1
1 347 . 8 1 1 A 35 35 HIS HA H 35 4.902 4.459 0.443 1
1 348 . 8 1 1 A 35 35 HIS CB C 35 28.700 29.983 -1.283 1
1 355 . 8 1 1 A 35 35 HIS C C 35 175.645 177.574 -1.929 1
1 356 . 8 1 1 A 36 36 THR N N 36 112.636 112.727 -0.091 1
1 357 . 8 1 1 A 36 36 THR H H 36 7.742 7.792 -0.050 1
1 358 . 8 1 1 A 36 36 THR CA C 36 62.837 65.276 -2.439 1
1 359 . 8 1 1 A 36 36 THR HA H 36 4.303 4.001 0.302 1
1 360 . 8 1 1 A 36 36 THR CB C 36 69.713 69.362 0.351 1
1 366 . 8 1 1 A 36 36 THR C C 36 175.349 174.814 0.535 1
1 367 . 8 1 1 A 37 37 GLY N N 37 110.952 108.927 2.025 1
1 368 . 8 1 1 A 37 37 GLY H H 37 8.329 8.177 0.152 1
1 369 . 8 1 1 A 37 37 GLY CA C 37 45.353 46.110 -0.757 1
1 370 . 8 1 1 A 37 37 GLY HA2 H 37 4.000 3.879 0.121 1
1 371 . 8 1 1 A 37 37 GLY HA3 H 37 4.000 3.892 0.108 1
1 372 . 8 1 1 A 37 37 GLY C C 37 174.021 173.310 0.711 1
1 373 . 8 1 1 A 38 38 GLU N N 38 120.547 121.760 -1.213 1
1 374 . 8 1 1 A 38 38 GLU H H 38 8.063 8.412 -0.349 1
1 375 . 8 1 1 A 38 38 GLU CA C 38 56.431 54.670 1.761 1
1 376 . 8 1 1 A 38 38 GLU HA H 38 4.270 4.914 -0.644 1
1 377 . 8 1 1 A 38 38 GLU CB C 38 30.563 32.184 -1.621 1
1 383 . 8 1 1 A 38 38 GLU C C 38 176.207 175.741 0.466 1
1 384 . 8 1 1 A 39 39 LYS N N 39 123.687 123.557 0.130 1
1 385 . 8 1 1 A 39 39 LYS H H 39 8.412 8.296 0.116 1
1 386 . 8 1 1 A 39 39 LYS CA C 39 54.062 54.669 -0.607 1
1 387 . 8 1 1 A 39 39 LYS HA H 39 4.621 4.422 0.199 1
1 388 . 8 1 1 A 39 39 LYS CB C 39 32.571 33.281 -0.710 1
1 400 . 8 1 1 A 39 39 LYS C C 39 174.427 176.579 -2.152 1
1 401 . 8 1 1 A 40 40 PRO CA C 40 63.207 64.393 -1.186 1
1 402 . 8 1 1 A 40 40 PRO HA H 40 4.475 4.471 0.004 1
1 403 . 8 1 1 A 40 40 PRO CB C 40 32.205 31.719 0.486 1
1 412 . 8 1 1 A 41 41 SER N N 41 116.537 115.351 1.186 1
1 413 . 8 1 1 A 41 41 SER H H 41 8.491 7.713 0.778 1
1 414 . 8 1 1 A 42 42 GLY CA C 42 44.661 45.112 -0.451 1
1 415 . 8 1 1 A 42 42 GLY HA2 H 42 4.174 4.136 0.038 1
1 416 . 8 1 1 A 42 42 GLY HA3 H 42 4.114 4.137 -0.023 1
1 417 . 8 1 1 A 43 43 PRO CA C 43 63.206 62.683 0.523 1
1 418 . 8 1 1 A 43 43 PRO HA H 43 4.479 4.661 -0.182 1
1 419 . 8 1 1 A 43 43 PRO CB C 43 32.187 32.408 -0.221 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.470 46.097 -0.627 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 4.008 4.184 -0.176 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 4.008 4.184 -0.176 1
1 4 . 9 1 1 A 7 7 GLY C C 7 174.519 174.893 -0.374 1
1 5 . 9 1 1 A 8 8 THR N N 8 112.809 118.279 -5.470 1
1 6 . 9 1 1 A 8 8 THR H H 8 8.167 8.610 -0.443 1
1 7 . 9 1 1 A 8 8 THR CA C 8 61.860 66.373 -4.513 1
1 8 . 9 1 1 A 8 8 THR HA H 8 4.388 3.955 0.433 1
1 9 . 9 1 1 A 8 8 THR CB C 8 69.699 68.776 0.923 1
1 15 . 9 1 1 A 8 8 THR C C 8 175.277 175.006 0.271 1
1 16 . 9 1 1 A 9 9 GLY CA C 9 45.306 45.955 -0.649 1
1 17 . 9 1 1 A 9 9 GLY HA2 H 9 3.979 4.073 -0.094 1
1 18 . 9 1 1 A 9 9 GLY HA3 H 9 3.938 4.073 -0.135 1
1 19 . 9 1 1 A 9 9 GLY C C 9 174.001 171.274 2.727 1
1 20 . 9 1 1 A 10 10 GLU N N 10 120.420 117.884 2.536 1
1 21 . 9 1 1 A 10 10 GLU H H 10 8.230 8.771 -0.541 1
1 22 . 9 1 1 A 10 10 GLU CA C 10 56.759 54.666 2.093 1
1 23 . 9 1 1 A 10 10 GLU HA H 10 4.223 5.164 -0.941 1
1 24 . 9 1 1 A 10 10 GLU CB C 10 30.471 33.471 -3.000 1
1 30 . 9 1 1 A 10 10 GLU C C 10 176.269 175.095 1.174 1
1 31 . 9 1 1 A 11 11 LYS N N 11 122.538 123.062 -0.524 1
1 32 . 9 1 1 A 11 11 LYS H H 11 8.294 8.551 -0.257 1
1 33 . 9 1 1 A 11 11 LYS CA C 11 53.942 54.912 -0.970 1
1 34 . 9 1 1 A 11 11 LYS HA H 11 4.522 4.313 0.209 1
1 35 . 9 1 1 A 11 11 LYS CB C 11 32.707 31.738 0.969 1
1 47 . 9 1 1 A 11 11 LYS C C 11 174.065 176.722 -2.657 1
1 48 . 9 1 1 A 12 12 PRO CA C 12 63.244 64.850 -1.606 1
1 49 . 9 1 1 A 12 12 PRO HA H 12 4.306 4.249 0.057 1
1 50 . 9 1 1 A 12 12 PRO CB C 12 32.290 31.579 0.711 1
1 59 . 9 1 1 A 12 12 PRO C C 12 176.129 175.880 0.249 1
1 60 . 9 1 1 A 13 13 TYR N N 13 118.690 117.933 0.757 1
1 61 . 9 1 1 A 13 13 TYR H H 13 8.094 7.191 0.903 1
1 62 . 9 1 1 A 13 13 TYR CA C 13 57.656 57.008 0.648 1
1 63 . 9 1 1 A 13 13 TYR HA H 13 4.596 5.364 -0.768 1
1 64 . 9 1 1 A 13 13 TYR CB C 13 38.758 41.535 -2.777 1
1 75 . 9 1 1 A 13 13 TYR C C 13 174.523 174.735 -0.212 1
1 76 . 9 1 1 A 14 14 GLU N N 14 124.311 122.218 2.093 1
1 77 . 9 1 1 A 14 14 GLU H H 14 8.612 8.848 -0.236 1
1 78 . 9 1 1 A 14 14 GLU CA C 14 54.972 55.740 -0.768 1
1 79 . 9 1 1 A 14 14 GLU HA H 14 4.858 4.953 -0.095 1
1 80 . 9 1 1 A 14 14 GLU CB C 14 33.017 33.915 -0.898 1
1 86 . 9 1 1 A 14 14 GLU C C 14 175.370 174.872 0.498 1
1 87 . 9 1 1 A 15 15 CYS N N 15 126.829 125.578 1.251 1
1 88 . 9 1 1 A 15 15 CYS H H 15 9.299 9.490 -0.191 1
1 89 . 9 1 1 A 15 15 CYS CA C 15 59.489 59.439 0.050 1
1 90 . 9 1 1 A 15 15 CYS HA H 15 4.615 4.688 -0.073 1
1 91 . 9 1 1 A 15 15 CYS CB C 15 29.588 28.696 0.892 1
1 94 . 9 1 1 A 15 15 CYS C C 15 177.251 175.471 1.780 1
1 95 . 9 1 1 A 16 16 SER CA C 16 60.823 57.796 3.027 1
1 96 . 9 1 1 A 16 16 SER HA H 16 4.324 4.623 -0.299 1
1 97 . 9 1 1 A 16 16 SER CB C 16 63.099 63.675 -0.576 1
1 100 . 9 1 1 A 16 16 SER C C 16 174.225 175.603 -1.378 1
1 101 . 9 1 1 A 17 17 ILE N N 17 123.696 119.647 4.049 1
1 102 . 9 1 1 A 17 17 ILE H H 17 8.607 7.356 1.251 1
1 103 . 9 1 1 A 17 17 ILE CA C 17 63.401 64.026 -0.625 1
1 104 . 9 1 1 A 17 17 ILE HA H 17 3.927 3.812 0.115 1
1 105 . 9 1 1 A 17 17 ILE CB C 17 38.358 37.795 0.563 1
1 118 . 9 1 1 A 17 17 ILE C C 17 176.969 177.654 -0.685 1
1 119 . 9 1 1 A 18 18 CYS N N 18 115.697 115.852 -0.155 1
1 120 . 9 1 1 A 18 18 CYS H H 18 8.021 7.936 0.085 1
1 121 . 9 1 1 A 18 18 CYS CA C 18 58.229 59.692 -1.463 1
1 122 . 9 1 1 A 18 18 CYS HA H 18 5.203 4.602 0.601 1
1 123 . 9 1 1 A 18 18 CYS CB C 18 32.739 29.589 3.150 1
1 126 . 9 1 1 A 18 18 CYS C C 18 176.506 175.256 1.250 1
1 127 . 9 1 1 A 19 19 GLY N N 19 113.451 110.229 3.222 1
1 128 . 9 1 1 A 19 19 GLY H H 19 8.148 8.049 0.099 1
1 129 . 9 1 1 A 19 19 GLY CA C 19 46.236 45.222 1.014 1
1 130 . 9 1 1 A 19 19 GLY HA2 H 19 3.894 4.070 -0.176 1
1 131 . 9 1 1 A 19 19 GLY HA3 H 19 4.247 4.081 0.166 1
1 132 . 9 1 1 A 19 19 GLY C C 19 173.836 174.078 -0.242 1
1 133 . 9 1 1 A 20 20 LYS N N 20 122.918 119.489 3.429 1
1 134 . 9 1 1 A 20 20 LYS H H 20 7.971 7.852 0.119 1
1 135 . 9 1 1 A 20 20 LYS CA C 20 57.991 54.158 3.833 1
1 136 . 9 1 1 A 20 20 LYS HA H 20 4.043 4.620 -0.577 1
1 137 . 9 1 1 A 20 20 LYS CB C 20 33.587 34.128 -0.541 1
1 149 . 9 1 1 A 20 20 LYS C C 20 174.295 175.206 -0.911 1
1 150 . 9 1 1 A 21 21 SER N N 21 115.357 113.281 2.076 1
1 151 . 9 1 1 A 21 21 SER H H 21 7.819 8.714 -0.895 1
1 152 . 9 1 1 A 21 21 SER CA C 21 56.697 56.359 0.338 1
1 153 . 9 1 1 A 21 21 SER HA H 21 5.301 5.482 -0.181 1
1 154 . 9 1 1 A 21 21 SER CB C 21 66.038 65.651 0.387 1
1 157 . 9 1 1 A 21 21 SER C C 21 173.121 173.233 -0.112 1
1 158 . 9 1 1 A 22 22 PHE N N 22 118.204 119.946 -1.742 1
1 159 . 9 1 1 A 22 22 PHE H H 22 8.662 8.949 -0.287 1
1 160 . 9 1 1 A 22 22 PHE CA C 22 57.284 56.499 0.785 1
1 161 . 9 1 1 A 22 22 PHE HA H 22 4.810 4.974 -0.164 1
1 162 . 9 1 1 A 22 22 PHE CB C 22 43.860 42.884 0.976 1
1 175 . 9 1 1 A 22 22 PHE C C 22 175.380 175.775 -0.395 1
1 176 . 9 1 1 A 23 23 THR N N 23 114.460 113.518 0.942 1
1 177 . 9 1 1 A 23 23 THR H H 23 8.904 8.686 0.218 1
1 178 . 9 1 1 A 23 23 THR CA C 23 64.664 62.696 1.968 1
1 179 . 9 1 1 A 23 23 THR HA H 23 4.429 4.586 -0.157 1
1 180 . 9 1 1 A 23 23 THR CB C 23 69.577 69.408 0.169 1
1 186 . 9 1 1 A 23 23 THR C C 23 174.705 174.560 0.145 1
1 187 . 9 1 1 A 24 24 LYS N N 24 117.025 121.638 -4.613 1
1 188 . 9 1 1 A 24 24 LYS H H 24 7.637 7.629 0.008 1
1 189 . 9 1 1 A 24 24 LYS CA C 24 54.289 54.581 -0.292 1
1 190 . 9 1 1 A 24 24 LYS HA H 24 4.858 4.674 0.184 1
1 191 . 9 1 1 A 24 24 LYS CB C 24 35.986 34.871 1.115 1
1 203 . 9 1 1 A 24 24 LYS C C 24 176.551 176.005 0.546 1
1 204 . 9 1 1 A 25 25 LYS N N 25 127.352 126.348 1.004 1
1 205 . 9 1 1 A 25 25 LYS H H 25 8.516 8.765 -0.249 1
1 206 . 9 1 1 A 25 25 LYS CA C 25 59.682 59.540 0.142 1
1 207 . 9 1 1 A 25 25 LYS HA H 25 2.925 2.817 0.108 1
1 208 . 9 1 1 A 25 25 LYS CB C 25 31.703 31.524 0.179 1
1 220 . 9 1 1 A 25 25 LYS C C 25 178.182 177.629 0.553 1
1 221 . 9 1 1 A 26 26 SER CA C 26 60.759 60.858 -0.099 1
1 222 . 9 1 1 A 26 26 SER HA H 26 4.015 3.956 0.059 1
1 223 . 9 1 1 A 26 26 SER CB C 26 61.414 62.331 -0.917 1
1 226 . 9 1 1 A 26 26 SER C C 26 176.943 176.912 0.031 1
1 227 . 9 1 1 A 27 27 GLN N N 27 120.004 121.571 -1.567 1
1 228 . 9 1 1 A 27 27 GLN H H 27 6.690 7.830 -1.140 1
1 229 . 9 1 1 A 27 27 GLN CA C 27 57.577 58.984 -1.407 1
1 230 . 9 1 1 A 27 27 GLN HA H 27 3.973 3.991 -0.018 1
1 231 . 9 1 1 A 27 27 GLN CB C 27 28.433 28.254 0.179 1
1 240 . 9 1 1 A 27 27 GLN C C 27 178.831 178.182 0.649 1
1 241 . 9 1 1 A 28 28 LEU N N 28 121.687 121.568 0.119 1
1 242 . 9 1 1 A 28 28 LEU H H 28 6.973 7.433 -0.460 1
1 243 . 9 1 1 A 28 28 LEU CA C 28 57.775 57.625 0.150 1
1 244 . 9 1 1 A 28 28 LEU HA H 28 3.277 3.024 0.253 1
1 245 . 9 1 1 A 28 28 LEU CB C 28 40.177 41.669 -1.492 1
1 258 . 9 1 1 A 28 28 LEU C C 28 177.514 178.468 -0.954 1
1 259 . 9 1 1 A 29 29 HIS N N 29 118.184 117.972 0.212 1
1 260 . 9 1 1 A 29 29 HIS H H 29 8.049 8.458 -0.409 1
1 261 . 9 1 1 A 29 29 HIS CA C 29 59.106 59.093 0.013 1
1 262 . 9 1 1 A 29 29 HIS HA H 29 4.409 4.117 0.292 1
1 263 . 9 1 1 A 29 29 HIS CB C 29 30.059 30.033 0.026 1
1 270 . 9 1 1 A 29 29 HIS C C 29 178.350 177.757 0.593 1
1 271 . 9 1 1 A 30 30 VAL N N 30 118.277 119.044 -0.767 1
1 272 . 9 1 1 A 30 30 VAL H H 30 7.513 7.879 -0.366 1
1 273 . 9 1 1 A 30 30 VAL CA C 30 66.146 66.273 -0.127 1
1 274 . 9 1 1 A 30 30 VAL HA H 30 3.665 3.412 0.253 1
1 275 . 9 1 1 A 30 30 VAL CB C 30 32.158 31.444 0.714 1
1 285 . 9 1 1 A 30 30 VAL C C 30 178.807 178.000 0.807 1
1 286 . 9 1 1 A 31 31 HIS N N 31 119.980 119.738 0.242 1
1 287 . 9 1 1 A 31 31 HIS H H 31 7.606 8.219 -0.613 1
1 288 . 9 1 1 A 31 31 HIS CA C 31 59.357 59.891 -0.534 1
1 289 . 9 1 1 A 31 31 HIS HA H 31 4.165 4.064 0.101 1
1 290 . 9 1 1 A 31 31 HIS CB C 31 28.519 29.444 -0.925 1
1 297 . 9 1 1 A 31 31 HIS C C 31 176.287 176.587 -0.300 1
1 298 . 9 1 1 A 32 32 GLN N N 32 114.428 117.103 -2.675 1
1 299 . 9 1 1 A 32 32 GLN H H 32 8.425 8.449 -0.024 1
1 300 . 9 1 1 A 32 32 GLN CA C 32 59.301 59.164 0.137 1
1 301 . 9 1 1 A 32 32 GLN HA H 32 3.688 3.800 -0.112 1
1 302 . 9 1 1 A 32 32 GLN CB C 32 28.202 28.163 0.039 1
1 311 . 9 1 1 A 32 32 GLN C C 32 177.554 178.609 -1.055 1
1 312 . 9 1 1 A 33 33 GLN N N 33 117.108 119.358 -2.250 1
1 313 . 9 1 1 A 33 33 GLN H H 33 7.239 7.609 -0.370 1
1 314 . 9 1 1 A 33 33 GLN CA C 33 57.802 59.019 -1.217 1
1 315 . 9 1 1 A 33 33 GLN HA H 33 4.073 3.881 0.192 1
1 316 . 9 1 1 A 33 33 GLN CB C 33 28.374 28.153 0.221 1
1 325 . 9 1 1 A 33 33 GLN C C 33 178.214 177.915 0.299 1
1 326 . 9 1 1 A 34 34 ILE N N 34 116.246 121.284 -5.038 1
1 327 . 9 1 1 A 34 34 ILE H H 34 7.802 8.020 -0.218 1
1 328 . 9 1 1 A 34 34 ILE CA C 34 63.058 64.403 -1.345 1
1 329 . 9 1 1 A 34 34 ILE HA H 34 3.997 3.659 0.338 1
1 330 . 9 1 1 A 34 34 ILE CB C 34 37.744 37.615 0.129 1
1 343 . 9 1 1 A 34 34 ILE C C 34 177.303 176.947 0.356 1
1 344 . 9 1 1 A 35 35 HIS N N 35 117.300 117.883 -0.583 1
1 345 . 9 1 1 A 35 35 HIS H H 35 7.168 7.054 0.114 1
1 346 . 9 1 1 A 35 35 HIS CA C 35 55.082 54.707 0.375 1
1 347 . 9 1 1 A 35 35 HIS HA H 35 4.902 4.683 0.219 1
1 348 . 9 1 1 A 35 35 HIS CB C 35 28.700 28.076 0.624 1
1 355 . 9 1 1 A 35 35 HIS C C 35 175.645 175.077 0.568 1
1 356 . 9 1 1 A 36 36 THR N N 36 112.636 115.140 -2.504 1
1 357 . 9 1 1 A 36 36 THR H H 36 7.742 7.671 0.071 1
1 358 . 9 1 1 A 36 36 THR CA C 36 62.837 60.585 2.252 1
1 359 . 9 1 1 A 36 36 THR HA H 36 4.303 4.499 -0.196 1
1 360 . 9 1 1 A 36 36 THR CB C 36 69.713 68.554 1.159 1
1 366 . 9 1 1 A 36 36 THR C C 36 175.349 174.546 0.803 1
1 367 . 9 1 1 A 37 37 GLY N N 37 110.952 110.025 0.927 1
1 368 . 9 1 1 A 37 37 GLY H H 37 8.329 7.829 0.500 1
1 369 . 9 1 1 A 37 37 GLY CA C 37 45.353 45.248 0.105 1
1 370 . 9 1 1 A 37 37 GLY HA2 H 37 4.000 4.072 -0.072 1
1 371 . 9 1 1 A 37 37 GLY HA3 H 37 4.000 4.076 -0.076 1
1 372 . 9 1 1 A 37 37 GLY C C 37 174.021 173.985 0.036 1
1 373 . 9 1 1 A 38 38 GLU N N 38 120.547 119.840 0.707 1
1 374 . 9 1 1 A 38 38 GLU H H 38 8.063 8.042 0.021 1
1 375 . 9 1 1 A 38 38 GLU CA C 38 56.431 55.151 1.280 1
1 376 . 9 1 1 A 38 38 GLU HA H 38 4.270 4.680 -0.410 1
1 377 . 9 1 1 A 38 38 GLU CB C 38 30.563 32.056 -1.493 1
1 383 . 9 1 1 A 38 38 GLU C C 38 176.207 176.705 -0.498 1
1 384 . 9 1 1 A 39 39 LYS N N 39 123.687 123.732 -0.045 1
1 385 . 9 1 1 A 39 39 LYS H H 39 8.412 8.998 -0.586 1
1 386 . 9 1 1 A 39 39 LYS CA C 39 54.062 57.189 -3.127 1
1 387 . 9 1 1 A 39 39 LYS HA H 39 4.621 3.926 0.695 1
1 388 . 9 1 1 A 39 39 LYS CB C 39 32.571 31.149 1.422 1
1 400 . 9 1 1 A 39 39 LYS C C 39 174.427 175.438 -1.011 1
1 401 . 9 1 1 A 40 40 PRO CA C 40 63.207 62.695 0.512 1
1 402 . 9 1 1 A 40 40 PRO HA H 40 4.475 4.473 0.002 1
1 403 . 9 1 1 A 40 40 PRO CB C 40 32.205 32.343 -0.138 1
1 412 . 9 1 1 A 41 41 SER N N 41 116.537 117.286 -0.749 1
1 413 . 9 1 1 A 41 41 SER H H 41 8.491 8.424 0.067 1
1 414 . 9 1 1 A 42 42 GLY CA C 42 44.661 47.909 -3.248 1
1 415 . 9 1 1 A 42 42 GLY HA2 H 42 4.174 3.824 0.350 1
1 416 . 9 1 1 A 42 42 GLY HA3 H 42 4.114 3.826 0.288 1
1 417 . 9 1 1 A 43 43 PRO CA C 43 63.206 62.319 0.887 1
1 418 . 9 1 1 A 43 43 PRO HA H 43 4.479 4.657 -0.178 1
1 419 . 9 1 1 A 43 43 PRO CB C 43 32.187 29.642 2.545 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.470 45.480 -0.010 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 4.008 3.953 0.055 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 4.008 3.954 0.054 1
1 4 . 10 1 1 A 7 7 GLY C C 7 174.519 175.460 -0.941 1
1 5 . 10 1 1 A 8 8 THR N N 8 112.809 118.060 -5.251 1
1 6 . 10 1 1 A 8 8 THR H H 8 8.167 8.929 -0.762 1
1 7 . 10 1 1 A 8 8 THR CA C 8 61.860 62.941 -1.081 1
1 8 . 10 1 1 A 8 8 THR HA H 8 4.388 4.069 0.319 1
1 9 . 10 1 1 A 8 8 THR CB C 8 69.699 66.818 2.881 1
1 15 . 10 1 1 A 8 8 THR C C 8 175.277 174.305 0.972 1
1 16 . 10 1 1 A 9 9 GLY CA C 9 45.306 45.755 -0.449 1
1 17 . 10 1 1 A 9 9 GLY HA2 H 9 3.979 3.976 0.003 1
1 18 . 10 1 1 A 9 9 GLY HA3 H 9 3.938 3.978 -0.040 1
1 19 . 10 1 1 A 9 9 GLY C C 9 174.001 173.469 0.532 1
1 20 . 10 1 1 A 10 10 GLU N N 10 120.420 123.371 -2.951 1
1 21 . 10 1 1 A 10 10 GLU H H 10 8.230 8.776 -0.546 1
1 22 . 10 1 1 A 10 10 GLU CA C 10 56.759 55.204 1.555 1
1 23 . 10 1 1 A 10 10 GLU HA H 10 4.223 4.600 -0.377 1
1 24 . 10 1 1 A 10 10 GLU CB C 10 30.471 30.384 0.087 1
1 30 . 10 1 1 A 10 10 GLU C C 10 176.269 175.504 0.765 1
1 31 . 10 1 1 A 11 11 LYS N N 11 122.538 119.439 3.099 1
1 32 . 10 1 1 A 11 11 LYS H H 11 8.294 7.203 1.091 1
1 33 . 10 1 1 A 11 11 LYS CA C 11 53.942 55.172 -1.230 1
1 34 . 10 1 1 A 11 11 LYS HA H 11 4.522 4.641 -0.119 1
1 35 . 10 1 1 A 11 11 LYS CB C 11 32.707 32.473 0.234 1
1 47 . 10 1 1 A 11 11 LYS C C 11 174.065 176.498 -2.433 1
1 48 . 10 1 1 A 12 12 PRO CA C 12 63.244 64.887 -1.643 1
1 49 . 10 1 1 A 12 12 PRO HA H 12 4.306 4.272 0.034 1
1 50 . 10 1 1 A 12 12 PRO CB C 12 32.290 31.620 0.670 1
1 59 . 10 1 1 A 12 12 PRO C C 12 176.129 175.857 0.272 1
1 60 . 10 1 1 A 13 13 TYR N N 13 118.690 118.006 0.684 1
1 61 . 10 1 1 A 13 13 TYR H H 13 8.094 7.296 0.798 1
1 62 . 10 1 1 A 13 13 TYR CA C 13 57.656 57.324 0.332 1
1 63 . 10 1 1 A 13 13 TYR HA H 13 4.596 5.177 -0.581 1
1 64 . 10 1 1 A 13 13 TYR CB C 13 38.758 41.392 -2.634 1
1 75 . 10 1 1 A 13 13 TYR C C 13 174.523 174.876 -0.353 1
1 76 . 10 1 1 A 14 14 GLU N N 14 124.311 121.788 2.523 1
1 77 . 10 1 1 A 14 14 GLU H H 14 8.612 8.891 -0.279 1
1 78 . 10 1 1 A 14 14 GLU CA C 14 54.972 55.526 -0.554 1
1 79 . 10 1 1 A 14 14 GLU HA H 14 4.858 4.948 -0.090 1
1 80 . 10 1 1 A 14 14 GLU CB C 14 33.017 33.767 -0.750 1
1 86 . 10 1 1 A 14 14 GLU C C 14 175.370 174.620 0.750 1
1 87 . 10 1 1 A 15 15 CYS N N 15 126.829 125.461 1.368 1
1 88 . 10 1 1 A 15 15 CYS H H 15 9.299 9.208 0.091 1
1 89 . 10 1 1 A 15 15 CYS CA C 15 59.489 58.740 0.749 1
1 90 . 10 1 1 A 15 15 CYS HA H 15 4.615 4.672 -0.057 1
1 91 . 10 1 1 A 15 15 CYS CB C 15 29.588 28.468 1.120 1
1 94 . 10 1 1 A 15 15 CYS C C 15 177.251 176.062 1.189 1
1 95 . 10 1 1 A 16 16 SER CA C 16 60.823 58.391 2.432 1
1 96 . 10 1 1 A 16 16 SER HA H 16 4.324 4.662 -0.338 1
1 97 . 10 1 1 A 16 16 SER CB C 16 63.099 63.110 -0.011 1
1 100 . 10 1 1 A 16 16 SER C C 16 174.225 175.335 -1.110 1
1 101 . 10 1 1 A 17 17 ILE N N 17 123.696 121.273 2.423 1
1 102 . 10 1 1 A 17 17 ILE H H 17 8.607 7.612 0.995 1
1 103 . 10 1 1 A 17 17 ILE CA C 17 63.401 62.544 0.857 1
1 104 . 10 1 1 A 17 17 ILE HA H 17 3.927 4.084 -0.157 1
1 105 . 10 1 1 A 17 17 ILE CB C 17 38.358 38.882 -0.524 1
1 118 . 10 1 1 A 17 17 ILE C C 17 176.969 177.406 -0.437 1
1 119 . 10 1 1 A 18 18 CYS N N 18 115.697 115.630 0.067 1
1 120 . 10 1 1 A 18 18 CYS H H 18 8.021 8.128 -0.107 1
1 121 . 10 1 1 A 18 18 CYS CA C 18 58.229 59.584 -1.355 1
1 122 . 10 1 1 A 18 18 CYS HA H 18 5.203 4.614 0.589 1
1 123 . 10 1 1 A 18 18 CYS CB C 18 32.739 29.821 2.918 1
1 126 . 10 1 1 A 18 18 CYS C C 18 176.506 175.314 1.192 1
1 127 . 10 1 1 A 19 19 GLY N N 19 113.451 110.006 3.445 1
1 128 . 10 1 1 A 19 19 GLY H H 19 8.148 8.049 0.099 1
1 129 . 10 1 1 A 19 19 GLY CA C 19 46.236 45.496 0.740 1
1 130 . 10 1 1 A 19 19 GLY HA2 H 19 3.894 4.071 -0.177 1
1 131 . 10 1 1 A 19 19 GLY HA3 H 19 4.247 4.075 0.172 1
1 132 . 10 1 1 A 19 19 GLY C C 19 173.836 174.108 -0.272 1
1 133 . 10 1 1 A 20 20 LYS N N 20 122.918 119.365 3.553 1
1 134 . 10 1 1 A 20 20 LYS H H 20 7.971 7.795 0.176 1
1 135 . 10 1 1 A 20 20 LYS CA C 20 57.991 54.150 3.841 1
1 136 . 10 1 1 A 20 20 LYS HA H 20 4.043 4.648 -0.605 1
1 137 . 10 1 1 A 20 20 LYS CB C 20 33.587 34.696 -1.109 1
1 149 . 10 1 1 A 20 20 LYS C C 20 174.295 175.260 -0.965 1
1 150 . 10 1 1 A 21 21 SER N N 21 115.357 112.793 2.564 1
1 151 . 10 1 1 A 21 21 SER H H 21 7.819 8.271 -0.452 1
1 152 . 10 1 1 A 21 21 SER CA C 21 56.697 56.722 -0.025 1
1 153 . 10 1 1 A 21 21 SER HA H 21 5.301 5.272 0.029 1
1 154 . 10 1 1 A 21 21 SER CB C 21 66.038 65.853 0.185 1
1 157 . 10 1 1 A 21 21 SER C C 21 173.121 172.722 0.399 1
1 158 . 10 1 1 A 22 22 PHE N N 22 118.204 119.705 -1.501 1
1 159 . 10 1 1 A 22 22 PHE H H 22 8.662 8.660 0.002 1
1 160 . 10 1 1 A 22 22 PHE CA C 22 57.284 56.675 0.609 1
1 161 . 10 1 1 A 22 22 PHE HA H 22 4.810 4.913 -0.103 1
1 162 . 10 1 1 A 22 22 PHE CB C 22 43.860 43.325 0.535 1
1 175 . 10 1 1 A 22 22 PHE C C 22 175.380 175.421 -0.041 1
1 176 . 10 1 1 A 23 23 THR N N 23 114.460 113.631 0.829 1
1 177 . 10 1 1 A 23 23 THR H H 23 8.904 8.674 0.230 1
1 178 . 10 1 1 A 23 23 THR CA C 23 64.664 62.751 1.913 1
1 179 . 10 1 1 A 23 23 THR HA H 23 4.429 4.546 -0.117 1
1 180 . 10 1 1 A 23 23 THR CB C 23 69.577 69.340 0.237 1
1 186 . 10 1 1 A 23 23 THR C C 23 174.705 174.919 -0.214 1
1 187 . 10 1 1 A 24 24 LYS N N 24 117.025 121.838 -4.813 1
1 188 . 10 1 1 A 24 24 LYS H H 24 7.637 7.639 -0.002 1
1 189 . 10 1 1 A 24 24 LYS CA C 24 54.289 55.061 -0.772 1
1 190 . 10 1 1 A 24 24 LYS HA H 24 4.858 4.628 0.230 1
1 191 . 10 1 1 A 24 24 LYS CB C 24 35.986 33.953 2.033 1
1 203 . 10 1 1 A 24 24 LYS C C 24 176.551 176.290 0.261 1
1 204 . 10 1 1 A 25 25 LYS N N 25 127.352 127.142 0.210 1
1 205 . 10 1 1 A 25 25 LYS H H 25 8.516 8.536 -0.020 1
1 206 . 10 1 1 A 25 25 LYS CA C 25 59.682 59.689 -0.007 1
1 207 . 10 1 1 A 25 25 LYS HA H 25 2.925 2.950 -0.025 1
1 208 . 10 1 1 A 25 25 LYS CB C 25 31.703 31.777 -0.074 1
1 220 . 10 1 1 A 25 25 LYS C C 25 178.182 177.662 0.520 1
1 221 . 10 1 1 A 26 26 SER CA C 26 60.759 61.433 -0.674 1
1 222 . 10 1 1 A 26 26 SER HA H 26 4.015 3.806 0.209 1
1 223 . 10 1 1 A 26 26 SER CB C 26 61.414 62.859 -1.445 1
1 226 . 10 1 1 A 26 26 SER C C 26 176.943 176.996 -0.053 1
1 227 . 10 1 1 A 27 27 GLN N N 27 120.004 121.496 -1.492 1
1 228 . 10 1 1 A 27 27 GLN H H 27 6.690 8.165 -1.475 1
1 229 . 10 1 1 A 27 27 GLN CA C 27 57.577 58.758 -1.181 1
1 230 . 10 1 1 A 27 27 GLN HA H 27 3.973 3.850 0.123 1
1 231 . 10 1 1 A 27 27 GLN CB C 27 28.433 28.227 0.206 1
1 240 . 10 1 1 A 27 27 GLN C C 27 178.831 177.855 0.976 1
1 241 . 10 1 1 A 28 28 LEU N N 28 121.687 121.501 0.186 1
1 242 . 10 1 1 A 28 28 LEU H H 28 6.973 7.393 -0.420 1
1 243 . 10 1 1 A 28 28 LEU CA C 28 57.775 57.843 -0.068 1
1 244 . 10 1 1 A 28 28 LEU HA H 28 3.277 3.211 0.066 1
1 245 . 10 1 1 A 28 28 LEU CB C 28 40.177 41.548 -1.371 1
1 258 . 10 1 1 A 28 28 LEU C C 28 177.514 178.174 -0.660 1
1 259 . 10 1 1 A 29 29 HIS N N 29 118.184 117.785 0.399 1
1 260 . 10 1 1 A 29 29 HIS H H 29 8.049 8.422 -0.373 1
1 261 . 10 1 1 A 29 29 HIS CA C 29 59.106 59.177 -0.071 1
1 262 . 10 1 1 A 29 29 HIS HA H 29 4.409 4.185 0.224 1
1 263 . 10 1 1 A 29 29 HIS CB C 29 30.059 30.009 0.050 1
1 270 . 10 1 1 A 29 29 HIS C C 29 178.350 177.753 0.597 1
1 271 . 10 1 1 A 30 30 VAL N N 30 118.277 119.033 -0.756 1
1 272 . 10 1 1 A 30 30 VAL H H 30 7.513 7.694 -0.181 1
1 273 . 10 1 1 A 30 30 VAL CA C 30 66.146 66.086 0.060 1
1 274 . 10 1 1 A 30 30 VAL HA H 30 3.665 3.401 0.264 1
1 275 . 10 1 1 A 30 30 VAL CB C 30 32.158 31.554 0.604 1
1 285 . 10 1 1 A 30 30 VAL C C 30 178.807 178.023 0.784 1
1 286 . 10 1 1 A 31 31 HIS N N 31 119.980 119.080 0.900 1
1 287 . 10 1 1 A 31 31 HIS H H 31 7.606 8.460 -0.854 1
1 288 . 10 1 1 A 31 31 HIS CA C 31 59.357 60.127 -0.770 1
1 289 . 10 1 1 A 31 31 HIS HA H 31 4.165 4.019 0.146 1
1 290 . 10 1 1 A 31 31 HIS CB C 31 28.519 29.559 -1.040 1
1 297 . 10 1 1 A 31 31 HIS C C 31 176.287 176.695 -0.408 1
1 298 . 10 1 1 A 32 32 GLN N N 32 114.428 118.066 -3.638 1
1 299 . 10 1 1 A 32 32 GLN H H 32 8.425 8.414 0.011 1
1 300 . 10 1 1 A 32 32 GLN CA C 32 59.301 59.087 0.214 1
1 301 . 10 1 1 A 32 32 GLN HA H 32 3.688 3.878 -0.190 1
1 302 . 10 1 1 A 32 32 GLN CB C 32 28.202 28.247 -0.045 1
1 311 . 10 1 1 A 32 32 GLN C C 32 177.554 178.687 -1.133 1
1 312 . 10 1 1 A 33 33 GLN N N 33 117.108 118.804 -1.696 1
1 313 . 10 1 1 A 33 33 GLN H H 33 7.239 8.032 -0.793 1
1 314 . 10 1 1 A 33 33 GLN CA C 33 57.802 58.654 -0.852 1
1 315 . 10 1 1 A 33 33 GLN HA H 33 4.073 4.256 -0.183 1
1 316 . 10 1 1 A 33 33 GLN CB C 33 28.374 28.238 0.136 1
1 325 . 10 1 1 A 33 33 GLN C C 33 178.214 179.272 -1.058 1
1 326 . 10 1 1 A 34 34 ILE N N 34 116.246 120.103 -3.857 1
1 327 . 10 1 1 A 34 34 ILE H H 34 7.802 7.919 -0.117 1
1 328 . 10 1 1 A 34 34 ILE CA C 34 63.058 62.869 0.189 1
1 329 . 10 1 1 A 34 34 ILE HA H 34 3.997 3.785 0.212 1
1 330 . 10 1 1 A 34 34 ILE CB C 34 37.744 37.343 0.401 1
1 343 . 10 1 1 A 34 34 ILE C C 34 177.303 176.641 0.662 1
1 344 . 10 1 1 A 35 35 HIS N N 35 117.300 118.178 -0.878 1
1 345 . 10 1 1 A 35 35 HIS H H 35 7.168 7.724 -0.556 1
1 346 . 10 1 1 A 35 35 HIS CA C 35 55.082 55.472 -0.390 1
1 347 . 10 1 1 A 35 35 HIS HA H 35 4.902 4.714 0.188 1
1 348 . 10 1 1 A 35 35 HIS CB C 35 28.700 29.724 -1.024 1
1 355 . 10 1 1 A 35 35 HIS C C 35 175.645 173.999 1.646 1
1 356 . 10 1 1 A 36 36 THR N N 36 112.636 109.941 2.695 1
1 357 . 10 1 1 A 36 36 THR H H 36 7.742 7.590 0.152 1
1 358 . 10 1 1 A 36 36 THR CA C 36 62.837 60.410 2.427 1
1 359 . 10 1 1 A 36 36 THR HA H 36 4.303 4.829 -0.526 1
1 360 . 10 1 1 A 36 36 THR CB C 36 69.713 71.359 -1.646 1
1 366 . 10 1 1 A 36 36 THR C C 36 175.349 173.018 2.331 1
1 367 . 10 1 1 A 37 37 GLY N N 37 110.952 109.518 1.434 1
1 368 . 10 1 1 A 37 37 GLY H H 37 8.329 8.270 0.059 1
1 369 . 10 1 1 A 37 37 GLY CA C 37 45.353 45.514 -0.161 1
1 370 . 10 1 1 A 37 37 GLY HA2 H 37 4.000 4.015 -0.015 1
1 371 . 10 1 1 A 37 37 GLY HA3 H 37 4.000 4.019 -0.019 1
1 372 . 10 1 1 A 37 37 GLY C C 37 174.021 173.677 0.344 1
1 373 . 10 1 1 A 38 38 GLU N N 38 120.547 122.137 -1.590 1
1 374 . 10 1 1 A 38 38 GLU H H 38 8.063 8.016 0.047 1
1 375 . 10 1 1 A 38 38 GLU CA C 38 56.431 54.740 1.691 1
1 376 . 10 1 1 A 38 38 GLU HA H 38 4.270 4.556 -0.286 1
1 377 . 10 1 1 A 38 38 GLU CB C 38 30.563 31.503 -0.940 1
1 383 . 10 1 1 A 38 38 GLU C C 38 176.207 175.684 0.523 1
1 384 . 10 1 1 A 39 39 LYS N N 39 123.687 122.220 1.467 1
1 385 . 10 1 1 A 39 39 LYS H H 39 8.412 8.832 -0.420 1
1 386 . 10 1 1 A 39 39 LYS CA C 39 54.062 56.908 -2.846 1
1 387 . 10 1 1 A 39 39 LYS HA H 39 4.621 3.798 0.823 1
1 388 . 10 1 1 A 39 39 LYS CB C 39 32.571 30.332 2.239 1
1 400 . 10 1 1 A 39 39 LYS C C 39 174.427 174.800 -0.373 1
1 401 . 10 1 1 A 40 40 PRO CA C 40 63.207 62.309 0.898 1
1 402 . 10 1 1 A 40 40 PRO HA H 40 4.475 4.553 -0.078 1
1 403 . 10 1 1 A 40 40 PRO CB C 40 32.205 32.986 -0.781 1
1 412 . 10 1 1 A 41 41 SER N N 41 116.537 115.350 1.187 1
1 413 . 10 1 1 A 41 41 SER H H 41 8.491 8.527 -0.036 1
1 414 . 10 1 1 A 42 42 GLY CA C 42 44.661 46.418 -1.757 1
1 415 . 10 1 1 A 42 42 GLY HA2 H 42 4.174 4.489 -0.315 1
1 416 . 10 1 1 A 42 42 GLY HA3 H 42 4.114 4.490 -0.376 1
1 417 . 10 1 1 A 43 43 PRO CA C 43 63.206 62.373 0.833 1
1 418 . 10 1 1 A 43 43 PRO HA H 43 4.479 4.632 -0.153 1
1 419 . 10 1 1 A 43 43 PRO CB C 43 32.187 32.938 -0.751 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.470 45.126 0.344 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 4.008 4.035 -0.027 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 4.008 4.038 -0.030 1
1 4 . 11 1 1 A 7 7 GLY C C 7 174.519 173.227 1.292 1
1 5 . 11 1 1 A 8 8 THR N N 8 112.809 113.223 -0.414 1
1 6 . 11 1 1 A 8 8 THR H H 8 8.167 7.913 0.254 1
1 7 . 11 1 1 A 8 8 THR CA C 8 61.860 61.008 0.852 1
1 8 . 11 1 1 A 8 8 THR HA H 8 4.388 4.681 -0.293 1
1 9 . 11 1 1 A 8 8 THR CB C 8 69.699 71.822 -2.123 1
1 15 . 11 1 1 A 8 8 THR C C 8 175.277 173.584 1.693 1
1 16 . 11 1 1 A 9 9 GLY CA C 9 45.306 44.159 1.147 1
1 17 . 11 1 1 A 9 9 GLY HA2 H 9 3.979 4.137 -0.158 1
1 18 . 11 1 1 A 9 9 GLY HA3 H 9 3.938 4.137 -0.199 1
1 19 . 11 1 1 A 9 9 GLY C C 9 174.001 172.196 1.805 1
1 20 . 11 1 1 A 10 10 GLU N N 10 120.420 120.690 -0.270 1
1 21 . 11 1 1 A 10 10 GLU H H 10 8.230 8.512 -0.282 1
1 22 . 11 1 1 A 10 10 GLU CA C 10 56.759 54.734 2.025 1
1 23 . 11 1 1 A 10 10 GLU HA H 10 4.223 5.050 -0.827 1
1 24 . 11 1 1 A 10 10 GLU CB C 10 30.471 32.962 -2.491 1
1 30 . 11 1 1 A 10 10 GLU C C 10 176.269 175.533 0.736 1
1 31 . 11 1 1 A 11 11 LYS N N 11 122.538 126.571 -4.033 1
1 32 . 11 1 1 A 11 11 LYS H H 11 8.294 8.828 -0.534 1
1 33 . 11 1 1 A 11 11 LYS CA C 11 53.942 54.219 -0.277 1
1 34 . 11 1 1 A 11 11 LYS HA H 11 4.522 4.474 0.048 1
1 35 . 11 1 1 A 11 11 LYS CB C 11 32.707 31.973 0.734 1
1 47 . 11 1 1 A 11 11 LYS C C 11 174.065 176.543 -2.478 1
1 48 . 11 1 1 A 12 12 PRO CA C 12 63.244 64.695 -1.451 1
1 49 . 11 1 1 A 12 12 PRO HA H 12 4.306 4.227 0.079 1
1 50 . 11 1 1 A 12 12 PRO CB C 12 32.290 31.664 0.626 1
1 59 . 11 1 1 A 12 12 PRO C C 12 176.129 175.861 0.268 1
1 60 . 11 1 1 A 13 13 TYR N N 13 118.690 118.207 0.483 1
1 61 . 11 1 1 A 13 13 TYR H H 13 8.094 7.167 0.927 1
1 62 . 11 1 1 A 13 13 TYR CA C 13 57.656 57.397 0.259 1
1 63 . 11 1 1 A 13 13 TYR HA H 13 4.596 5.099 -0.503 1
1 64 . 11 1 1 A 13 13 TYR CB C 13 38.758 40.626 -1.868 1
1 75 . 11 1 1 A 13 13 TYR C C 13 174.523 174.524 -0.001 1
1 76 . 11 1 1 A 14 14 GLU N N 14 124.311 123.474 0.837 1
1 77 . 11 1 1 A 14 14 GLU H H 14 8.612 9.049 -0.437 1
1 78 . 11 1 1 A 14 14 GLU CA C 14 54.972 54.881 0.091 1
1 79 . 11 1 1 A 14 14 GLU HA H 14 4.858 5.241 -0.383 1
1 80 . 11 1 1 A 14 14 GLU CB C 14 33.017 33.729 -0.712 1
1 86 . 11 1 1 A 14 14 GLU C C 14 175.370 175.414 -0.044 1
1 87 . 11 1 1 A 15 15 CYS N N 15 126.829 125.938 0.891 1
1 88 . 11 1 1 A 15 15 CYS H H 15 9.299 9.498 -0.199 1
1 89 . 11 1 1 A 15 15 CYS CA C 15 59.489 60.160 -0.671 1
1 90 . 11 1 1 A 15 15 CYS HA H 15 4.615 4.672 -0.057 1
1 91 . 11 1 1 A 15 15 CYS CB C 15 29.588 28.570 1.018 1
1 94 . 11 1 1 A 15 15 CYS C C 15 177.251 174.923 2.328 1
1 95 . 11 1 1 A 16 16 SER CA C 16 60.823 59.221 1.602 1
1 96 . 11 1 1 A 16 16 SER HA H 16 4.324 4.529 -0.205 1
1 97 . 11 1 1 A 16 16 SER CB C 16 63.099 64.325 -1.226 1
1 100 . 11 1 1 A 16 16 SER C C 16 174.225 176.387 -2.162 1
1 101 . 11 1 1 A 17 17 ILE N N 17 123.696 121.745 1.951 1
1 102 . 11 1 1 A 17 17 ILE H H 17 8.607 7.524 1.083 1
1 103 . 11 1 1 A 17 17 ILE CA C 17 63.401 65.230 -1.829 1
1 104 . 11 1 1 A 17 17 ILE HA H 17 3.927 3.460 0.467 1
1 105 . 11 1 1 A 17 17 ILE CB C 17 38.358 37.938 0.420 1
1 118 . 11 1 1 A 17 17 ILE C C 17 176.969 177.486 -0.517 1
1 119 . 11 1 1 A 18 18 CYS N N 18 115.697 115.601 0.096 1
1 120 . 11 1 1 A 18 18 CYS H H 18 8.021 7.212 0.809 1
1 121 . 11 1 1 A 18 18 CYS CA C 18 58.229 59.572 -1.343 1
1 122 . 11 1 1 A 18 18 CYS HA H 18 5.203 4.573 0.630 1
1 123 . 11 1 1 A 18 18 CYS CB C 18 32.739 29.506 3.233 1
1 126 . 11 1 1 A 18 18 CYS C C 18 176.506 175.234 1.272 1
1 127 . 11 1 1 A 19 19 GLY N N 19 113.451 110.282 3.169 1
1 128 . 11 1 1 A 19 19 GLY H H 19 8.148 8.064 0.084 1
1 129 . 11 1 1 A 19 19 GLY CA C 19 46.236 45.166 1.070 1
1 130 . 11 1 1 A 19 19 GLY HA2 H 19 3.894 4.064 -0.170 1
1 131 . 11 1 1 A 19 19 GLY HA3 H 19 4.247 4.075 0.172 1
1 132 . 11 1 1 A 19 19 GLY C C 19 173.836 174.572 -0.736 1
1 133 . 11 1 1 A 20 20 LYS N N 20 122.918 120.597 2.321 1
1 134 . 11 1 1 A 20 20 LYS H H 20 7.971 7.333 0.638 1
1 135 . 11 1 1 A 20 20 LYS CA C 20 57.991 55.738 2.253 1
1 136 . 11 1 1 A 20 20 LYS HA H 20 4.043 4.364 -0.321 1
1 137 . 11 1 1 A 20 20 LYS CB C 20 33.587 34.393 -0.806 1
1 149 . 11 1 1 A 20 20 LYS C C 20 174.295 175.153 -0.858 1
1 150 . 11 1 1 A 21 21 SER N N 21 115.357 112.015 3.342 1
1 151 . 11 1 1 A 21 21 SER H H 21 7.819 8.223 -0.404 1
1 152 . 11 1 1 A 21 21 SER CA C 21 56.697 56.764 -0.067 1
1 153 . 11 1 1 A 21 21 SER HA H 21 5.301 5.344 -0.043 1
1 154 . 11 1 1 A 21 21 SER CB C 21 66.038 66.181 -0.143 1
1 157 . 11 1 1 A 21 21 SER C C 21 173.121 172.402 0.719 1
1 158 . 11 1 1 A 22 22 PHE N N 22 118.204 118.811 -0.607 1
1 159 . 11 1 1 A 22 22 PHE H H 22 8.662 9.062 -0.400 1
1 160 . 11 1 1 A 22 22 PHE CA C 22 57.284 56.423 0.861 1
1 161 . 11 1 1 A 22 22 PHE HA H 22 4.810 4.981 -0.171 1
1 162 . 11 1 1 A 22 22 PHE CB C 22 43.860 43.825 0.035 1
1 175 . 11 1 1 A 22 22 PHE C C 22 175.380 175.171 0.209 1
1 176 . 11 1 1 A 23 23 THR N N 23 114.460 112.689 1.771 1
1 177 . 11 1 1 A 23 23 THR H H 23 8.904 8.625 0.279 1
1 178 . 11 1 1 A 23 23 THR CA C 23 64.664 61.700 2.964 1
1 179 . 11 1 1 A 23 23 THR HA H 23 4.429 4.804 -0.375 1
1 180 . 11 1 1 A 23 23 THR CB C 23 69.577 69.919 -0.342 1
1 186 . 11 1 1 A 23 23 THR C C 23 174.705 174.352 0.353 1
1 187 . 11 1 1 A 24 24 LYS N N 24 117.025 120.750 -3.725 1
1 188 . 11 1 1 A 24 24 LYS H H 24 7.637 7.591 0.046 1
1 189 . 11 1 1 A 24 24 LYS CA C 24 54.289 54.466 -0.177 1
1 190 . 11 1 1 A 24 24 LYS HA H 24 4.858 4.634 0.224 1
1 191 . 11 1 1 A 24 24 LYS CB C 24 35.986 35.037 0.949 1
1 203 . 11 1 1 A 24 24 LYS C C 24 176.551 176.215 0.336 1
1 204 . 11 1 1 A 25 25 LYS N N 25 127.352 124.318 3.034 1
1 205 . 11 1 1 A 25 25 LYS H H 25 8.516 8.568 -0.052 1
1 206 . 11 1 1 A 25 25 LYS CA C 25 59.682 59.740 -0.058 1
1 207 . 11 1 1 A 25 25 LYS HA H 25 2.925 2.855 0.070 1
1 208 . 11 1 1 A 25 25 LYS CB C 25 31.703 31.756 -0.053 1
1 220 . 11 1 1 A 25 25 LYS C C 25 178.182 177.884 0.298 1
1 221 . 11 1 1 A 26 26 SER CA C 26 60.759 61.614 -0.855 1
1 222 . 11 1 1 A 26 26 SER HA H 26 4.015 3.948 0.067 1
1 223 . 11 1 1 A 26 26 SER CB C 26 61.414 62.643 -1.229 1
1 226 . 11 1 1 A 26 26 SER C C 26 176.943 176.478 0.465 1
1 227 . 11 1 1 A 27 27 GLN N N 27 120.004 120.890 -0.886 1
1 228 . 11 1 1 A 27 27 GLN H H 27 6.690 7.820 -1.130 1
1 229 . 11 1 1 A 27 27 GLN CA C 27 57.577 58.886 -1.309 1
1 230 . 11 1 1 A 27 27 GLN HA H 27 3.973 3.719 0.254 1
1 231 . 11 1 1 A 27 27 GLN CB C 27 28.433 28.208 0.225 1
1 240 . 11 1 1 A 27 27 GLN C C 27 178.831 177.727 1.104 1
1 241 . 11 1 1 A 28 28 LEU N N 28 121.687 121.271 0.416 1
1 242 . 11 1 1 A 28 28 LEU H H 28 6.973 7.325 -0.352 1
1 243 . 11 1 1 A 28 28 LEU CA C 28 57.775 57.778 -0.003 1
1 244 . 11 1 1 A 28 28 LEU HA H 28 3.277 3.289 -0.012 1
1 245 . 11 1 1 A 28 28 LEU CB C 28 40.177 41.491 -1.314 1
1 258 . 11 1 1 A 28 28 LEU C C 28 177.514 178.136 -0.622 1
1 259 . 11 1 1 A 29 29 HIS N N 29 118.184 117.419 0.765 1
1 260 . 11 1 1 A 29 29 HIS H H 29 8.049 8.093 -0.044 1
1 261 . 11 1 1 A 29 29 HIS CA C 29 59.106 59.283 -0.177 1
1 262 . 11 1 1 A 29 29 HIS HA H 29 4.409 4.197 0.212 1
1 263 . 11 1 1 A 29 29 HIS CB C 29 30.059 29.818 0.241 1
1 270 . 11 1 1 A 29 29 HIS C C 29 178.350 178.000 0.350 1
1 271 . 11 1 1 A 30 30 VAL N N 30 118.277 119.266 -0.989 1
1 272 . 11 1 1 A 30 30 VAL H H 30 7.513 8.130 -0.617 1
1 273 . 11 1 1 A 30 30 VAL CA C 30 66.146 65.344 0.802 1
1 274 . 11 1 1 A 30 30 VAL HA H 30 3.665 3.669 -0.004 1
1 275 . 11 1 1 A 30 30 VAL CB C 30 32.158 31.240 0.918 1
1 285 . 11 1 1 A 30 30 VAL C C 30 178.807 177.661 1.146 1
1 286 . 11 1 1 A 31 31 HIS N N 31 119.980 121.050 -1.070 1
1 287 . 11 1 1 A 31 31 HIS H H 31 7.606 8.106 -0.500 1
1 288 . 11 1 1 A 31 31 HIS CA C 31 59.357 58.694 0.663 1
1 289 . 11 1 1 A 31 31 HIS HA H 31 4.165 4.170 -0.005 1
1 290 . 11 1 1 A 31 31 HIS CB C 31 28.519 29.837 -1.318 1
1 297 . 11 1 1 A 31 31 HIS C C 31 176.287 177.258 -0.971 1
1 298 . 11 1 1 A 32 32 GLN N N 32 114.428 118.948 -4.520 1
1 299 . 11 1 1 A 32 32 GLN H H 32 8.425 8.708 -0.283 1
1 300 . 11 1 1 A 32 32 GLN CA C 32 59.301 59.248 0.053 1
1 301 . 11 1 1 A 32 32 GLN HA H 32 3.688 3.978 -0.290 1
1 302 . 11 1 1 A 32 32 GLN CB C 32 28.202 28.295 -0.093 1
1 311 . 11 1 1 A 32 32 GLN C C 32 177.554 178.244 -0.690 1
1 312 . 11 1 1 A 33 33 GLN N N 33 117.108 117.402 -0.294 1
1 313 . 11 1 1 A 33 33 GLN H H 33 7.239 8.086 -0.847 1
1 314 . 11 1 1 A 33 33 GLN CA C 33 57.802 58.117 -0.315 1
1 315 . 11 1 1 A 33 33 GLN HA H 33 4.073 4.108 -0.035 1
1 316 . 11 1 1 A 33 33 GLN CB C 33 28.374 27.753 0.621 1
1 325 . 11 1 1 A 33 33 GLN C C 33 178.214 178.450 -0.236 1
1 326 . 11 1 1 A 34 34 ILE N N 34 116.246 121.561 -5.315 1
1 327 . 11 1 1 A 34 34 ILE H H 34 7.802 7.896 -0.094 1
1 328 . 11 1 1 A 34 34 ILE CA C 34 63.058 62.856 0.202 1
1 329 . 11 1 1 A 34 34 ILE HA H 34 3.997 3.803 0.194 1
1 330 . 11 1 1 A 34 34 ILE CB C 34 37.744 37.632 0.112 1
1 343 . 11 1 1 A 34 34 ILE C C 34 177.303 177.002 0.301 1
1 344 . 11 1 1 A 35 35 HIS N N 35 117.300 119.283 -1.983 1
1 345 . 11 1 1 A 35 35 HIS H H 35 7.168 7.284 -0.116 1
1 346 . 11 1 1 A 35 35 HIS CA C 35 55.082 58.467 -3.385 1
1 347 . 11 1 1 A 35 35 HIS HA H 35 4.902 4.465 0.437 1
1 348 . 11 1 1 A 35 35 HIS CB C 35 28.700 30.392 -1.692 1
1 355 . 11 1 1 A 35 35 HIS C C 35 175.645 177.504 -1.859 1
1 356 . 11 1 1 A 36 36 THR N N 36 112.636 112.897 -0.261 1
1 357 . 11 1 1 A 36 36 THR H H 36 7.742 7.785 -0.043 1
1 358 . 11 1 1 A 36 36 THR CA C 36 62.837 65.151 -2.314 1
1 359 . 11 1 1 A 36 36 THR HA H 36 4.303 4.006 0.297 1
1 360 . 11 1 1 A 36 36 THR CB C 36 69.713 68.565 1.148 1
1 366 . 11 1 1 A 36 36 THR C C 36 175.349 176.346 -0.997 1
1 367 . 11 1 1 A 37 37 GLY N N 37 110.952 108.400 2.552 1
1 368 . 11 1 1 A 37 37 GLY H H 37 8.329 8.112 0.217 1
1 369 . 11 1 1 A 37 37 GLY CA C 37 45.353 47.087 -1.734 1
1 370 . 11 1 1 A 37 37 GLY HA2 H 37 4.000 3.739 0.261 1
1 371 . 11 1 1 A 37 37 GLY HA3 H 37 4.000 3.750 0.250 1
1 372 . 11 1 1 A 37 37 GLY C C 37 174.021 174.097 -0.076 1
1 373 . 11 1 1 A 38 38 GLU N N 38 120.547 117.270 3.277 1
1 374 . 11 1 1 A 38 38 GLU H H 38 8.063 7.737 0.326 1
1 375 . 11 1 1 A 38 38 GLU CA C 38 56.431 54.591 1.840 1
1 376 . 11 1 1 A 38 38 GLU HA H 38 4.270 4.879 -0.609 1
1 377 . 11 1 1 A 38 38 GLU CB C 38 30.563 33.187 -2.624 1
1 383 . 11 1 1 A 38 38 GLU C C 38 176.207 174.604 1.603 1
1 384 . 11 1 1 A 39 39 LYS N N 39 123.687 122.350 1.337 1
1 385 . 11 1 1 A 39 39 LYS H H 39 8.412 8.563 -0.151 1
1 386 . 11 1 1 A 39 39 LYS CA C 39 54.062 52.827 1.235 1
1 387 . 11 1 1 A 39 39 LYS HA H 39 4.621 4.766 -0.145 1
1 388 . 11 1 1 A 39 39 LYS CB C 39 32.571 36.370 -3.799 1
1 400 . 11 1 1 A 39 39 LYS C C 39 174.427 175.626 -1.199 1
1 401 . 11 1 1 A 40 40 PRO CA C 40 63.207 65.103 -1.896 1
1 402 . 11 1 1 A 40 40 PRO HA H 40 4.475 4.342 0.133 1
1 403 . 11 1 1 A 40 40 PRO CB C 40 32.205 32.008 0.197 1
1 412 . 11 1 1 A 41 41 SER N N 41 116.537 114.437 2.100 1
1 413 . 11 1 1 A 41 41 SER H H 41 8.491 7.835 0.656 1
1 414 . 11 1 1 A 42 42 GLY CA C 42 44.661 45.406 -0.745 1
1 415 . 11 1 1 A 42 42 GLY HA2 H 42 4.174 4.491 -0.317 1
1 416 . 11 1 1 A 42 42 GLY HA3 H 42 4.114 4.491 -0.377 1
1 417 . 11 1 1 A 43 43 PRO CA C 43 63.206 62.811 0.395 1
1 418 . 11 1 1 A 43 43 PRO HA H 43 4.479 4.517 -0.038 1
1 419 . 11 1 1 A 43 43 PRO CB C 43 32.187 31.696 0.491 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.470 45.047 0.423 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 4.008 4.039 -0.031 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 4.008 4.039 -0.031 1
1 4 . 12 1 1 A 7 7 GLY C C 7 174.519 173.334 1.185 1
1 5 . 12 1 1 A 8 8 THR N N 8 112.809 115.395 -2.586 1
1 6 . 12 1 1 A 8 8 THR H H 8 8.167 8.302 -0.135 1
1 7 . 12 1 1 A 8 8 THR CA C 8 61.860 60.808 1.052 1
1 8 . 12 1 1 A 8 8 THR HA H 8 4.388 4.909 -0.521 1
1 9 . 12 1 1 A 8 8 THR CB C 8 69.699 71.295 -1.596 1
1 15 . 12 1 1 A 8 8 THR C C 8 175.277 174.964 0.313 1
1 16 . 12 1 1 A 9 9 GLY CA C 9 45.306 45.355 -0.049 1
1 17 . 12 1 1 A 9 9 GLY HA2 H 9 3.979 3.974 0.005 1
1 18 . 12 1 1 A 9 9 GLY HA3 H 9 3.938 3.974 -0.036 1
1 19 . 12 1 1 A 9 9 GLY C C 9 174.001 174.463 -0.462 1
1 20 . 12 1 1 A 10 10 GLU N N 10 120.420 122.303 -1.883 1
1 21 . 12 1 1 A 10 10 GLU H H 10 8.230 7.912 0.318 1
1 22 . 12 1 1 A 10 10 GLU CA C 10 56.759 56.419 0.340 1
1 23 . 12 1 1 A 10 10 GLU HA H 10 4.223 4.306 -0.083 1
1 24 . 12 1 1 A 10 10 GLU CB C 10 30.471 30.779 -0.308 1
1 30 . 12 1 1 A 10 10 GLU C C 10 176.269 176.399 -0.130 1
1 31 . 12 1 1 A 11 11 LYS N N 11 122.538 123.563 -1.025 1
1 32 . 12 1 1 A 11 11 LYS H H 11 8.294 8.463 -0.169 1
1 33 . 12 1 1 A 11 11 LYS CA C 11 53.942 55.036 -1.094 1
1 34 . 12 1 1 A 11 11 LYS HA H 11 4.522 4.290 0.232 1
1 35 . 12 1 1 A 11 11 LYS CB C 11 32.707 31.989 0.718 1
1 47 . 12 1 1 A 11 11 LYS C C 11 174.065 176.745 -2.680 1
1 48 . 12 1 1 A 12 12 PRO CA C 12 63.244 64.992 -1.748 1
1 49 . 12 1 1 A 12 12 PRO HA H 12 4.306 4.254 0.052 1
1 50 . 12 1 1 A 12 12 PRO CB C 12 32.290 31.527 0.763 1
1 59 . 12 1 1 A 12 12 PRO C C 12 176.129 175.883 0.246 1
1 60 . 12 1 1 A 13 13 TYR N N 13 118.690 117.658 1.032 1
1 61 . 12 1 1 A 13 13 TYR H H 13 8.094 7.762 0.332 1
1 62 . 12 1 1 A 13 13 TYR CA C 13 57.656 57.008 0.648 1
1 63 . 12 1 1 A 13 13 TYR HA H 13 4.596 5.197 -0.601 1
1 64 . 12 1 1 A 13 13 TYR CB C 13 38.758 40.096 -1.338 1
1 75 . 12 1 1 A 13 13 TYR C C 13 174.523 174.540 -0.017 1
1 76 . 12 1 1 A 14 14 GLU N N 14 124.311 124.961 -0.650 1
1 77 . 12 1 1 A 14 14 GLU H H 14 8.612 9.134 -0.522 1
1 78 . 12 1 1 A 14 14 GLU CA C 14 54.972 54.550 0.422 1
1 79 . 12 1 1 A 14 14 GLU HA H 14 4.858 5.304 -0.446 1
1 80 . 12 1 1 A 14 14 GLU CB C 14 33.017 33.543 -0.526 1
1 86 . 12 1 1 A 14 14 GLU C C 14 175.370 174.945 0.425 1
1 87 . 12 1 1 A 15 15 CYS N N 15 126.829 124.444 2.385 1
1 88 . 12 1 1 A 15 15 CYS H H 15 9.299 9.376 -0.077 1
1 89 . 12 1 1 A 15 15 CYS CA C 15 59.489 58.458 1.031 1
1 90 . 12 1 1 A 15 15 CYS HA H 15 4.615 4.776 -0.161 1
1 91 . 12 1 1 A 15 15 CYS CB C 15 29.588 28.574 1.014 1
1 94 . 12 1 1 A 15 15 CYS C C 15 177.251 176.065 1.186 1
1 95 . 12 1 1 A 16 16 SER CA C 16 60.823 58.394 2.429 1
1 96 . 12 1 1 A 16 16 SER HA H 16 4.324 4.641 -0.317 1
1 97 . 12 1 1 A 16 16 SER CB C 16 63.099 63.068 0.031 1
1 100 . 12 1 1 A 16 16 SER C C 16 174.225 175.340 -1.115 1
1 101 . 12 1 1 A 17 17 ILE N N 17 123.696 121.091 2.605 1
1 102 . 12 1 1 A 17 17 ILE H H 17 8.607 7.766 0.841 1
1 103 . 12 1 1 A 17 17 ILE CA C 17 63.401 62.437 0.964 1
1 104 . 12 1 1 A 17 17 ILE HA H 17 3.927 4.113 -0.186 1
1 105 . 12 1 1 A 17 17 ILE CB C 17 38.358 38.870 -0.512 1
1 118 . 12 1 1 A 17 17 ILE C C 17 176.969 177.477 -0.508 1
1 119 . 12 1 1 A 18 18 CYS N N 18 115.697 115.773 -0.076 1
1 120 . 12 1 1 A 18 18 CYS H H 18 8.021 8.028 -0.007 1
1 121 . 12 1 1 A 18 18 CYS CA C 18 58.229 59.642 -1.413 1
1 122 . 12 1 1 A 18 18 CYS HA H 18 5.203 4.571 0.632 1
1 123 . 12 1 1 A 18 18 CYS CB C 18 32.739 29.402 3.337 1
1 126 . 12 1 1 A 18 18 CYS C C 18 176.506 175.124 1.382 1
1 127 . 12 1 1 A 19 19 GLY N N 19 113.451 109.603 3.848 1
1 128 . 12 1 1 A 19 19 GLY H H 19 8.148 7.971 0.177 1
1 129 . 12 1 1 A 19 19 GLY CA C 19 46.236 45.469 0.767 1
1 130 . 12 1 1 A 19 19 GLY HA2 H 19 3.894 4.084 -0.190 1
1 131 . 12 1 1 A 19 19 GLY HA3 H 19 4.247 4.093 0.154 1
1 132 . 12 1 1 A 19 19 GLY C C 19 173.836 173.976 -0.140 1
1 133 . 12 1 1 A 20 20 LYS N N 20 122.918 119.228 3.690 1
1 134 . 12 1 1 A 20 20 LYS H H 20 7.971 7.883 0.088 1
1 135 . 12 1 1 A 20 20 LYS CA C 20 57.991 54.122 3.869 1
1 136 . 12 1 1 A 20 20 LYS HA H 20 4.043 4.752 -0.709 1
1 137 . 12 1 1 A 20 20 LYS CB C 20 33.587 35.401 -1.814 1
1 149 . 12 1 1 A 20 20 LYS C C 20 174.295 175.180 -0.885 1
1 150 . 12 1 1 A 21 21 SER N N 21 115.357 112.571 2.786 1
1 151 . 12 1 1 A 21 21 SER H H 21 7.819 8.611 -0.792 1
1 152 . 12 1 1 A 21 21 SER CA C 21 56.697 56.308 0.389 1
1 153 . 12 1 1 A 21 21 SER HA H 21 5.301 5.383 -0.082 1
1 154 . 12 1 1 A 21 21 SER CB C 21 66.038 65.900 0.138 1
1 157 . 12 1 1 A 21 21 SER C C 21 173.121 173.214 -0.093 1
1 158 . 12 1 1 A 22 22 PHE N N 22 118.204 118.819 -0.615 1
1 159 . 12 1 1 A 22 22 PHE H H 22 8.662 9.351 -0.689 1
1 160 . 12 1 1 A 22 22 PHE CA C 22 57.284 56.609 0.675 1
1 161 . 12 1 1 A 22 22 PHE HA H 22 4.810 4.941 -0.131 1
1 162 . 12 1 1 A 22 22 PHE CB C 22 43.860 42.724 1.136 1
1 175 . 12 1 1 A 22 22 PHE C C 22 175.380 175.876 -0.496 1
1 176 . 12 1 1 A 23 23 THR N N 23 114.460 116.296 -1.836 1
1 177 . 12 1 1 A 23 23 THR H H 23 8.904 8.706 0.198 1
1 178 . 12 1 1 A 23 23 THR CA C 23 64.664 63.552 1.112 1
1 179 . 12 1 1 A 23 23 THR HA H 23 4.429 4.336 0.093 1
1 180 . 12 1 1 A 23 23 THR CB C 23 69.577 69.049 0.528 1
1 186 . 12 1 1 A 23 23 THR C C 23 174.705 174.862 -0.157 1
1 187 . 12 1 1 A 24 24 LYS N N 24 117.025 121.739 -4.714 1
1 188 . 12 1 1 A 24 24 LYS H H 24 7.637 7.669 -0.032 1
1 189 . 12 1 1 A 24 24 LYS CA C 24 54.289 54.769 -0.480 1
1 190 . 12 1 1 A 24 24 LYS HA H 24 4.858 4.374 0.484 1
1 191 . 12 1 1 A 24 24 LYS CB C 24 35.986 33.274 2.712 1
1 203 . 12 1 1 A 24 24 LYS C C 24 176.551 176.439 0.112 1
1 204 . 12 1 1 A 25 25 LYS N N 25 127.352 124.843 2.509 1
1 205 . 12 1 1 A 25 25 LYS H H 25 8.516 7.636 0.880 1
1 206 . 12 1 1 A 25 25 LYS CA C 25 59.682 58.143 1.539 1
1 207 . 12 1 1 A 25 25 LYS HA H 25 2.925 3.313 -0.388 1
1 208 . 12 1 1 A 25 25 LYS CB C 25 31.703 31.088 0.615 1
1 220 . 12 1 1 A 25 25 LYS C C 25 178.182 177.805 0.377 1
1 221 . 12 1 1 A 26 26 SER CA C 26 60.759 61.389 -0.630 1
1 222 . 12 1 1 A 26 26 SER HA H 26 4.015 4.006 0.009 1
1 223 . 12 1 1 A 26 26 SER CB C 26 61.414 62.986 -1.572 1
1 226 . 12 1 1 A 26 26 SER C C 26 176.943 177.153 -0.210 1
1 227 . 12 1 1 A 27 27 GLN N N 27 120.004 120.986 -0.982 1
1 228 . 12 1 1 A 27 27 GLN H H 27 6.690 7.786 -1.096 1
1 229 . 12 1 1 A 27 27 GLN CA C 27 57.577 58.718 -1.141 1
1 230 . 12 1 1 A 27 27 GLN HA H 27 3.973 3.979 -0.006 1
1 231 . 12 1 1 A 27 27 GLN CB C 27 28.433 28.307 0.126 1
1 240 . 12 1 1 A 27 27 GLN C C 27 178.831 178.102 0.729 1
1 241 . 12 1 1 A 28 28 LEU N N 28 121.687 121.127 0.560 1
1 242 . 12 1 1 A 28 28 LEU H H 28 6.973 7.166 -0.193 1
1 243 . 12 1 1 A 28 28 LEU CA C 28 57.775 57.419 0.356 1
1 244 . 12 1 1 A 28 28 LEU HA H 28 3.277 2.797 0.480 1
1 245 . 12 1 1 A 28 28 LEU CB C 28 40.177 41.486 -1.309 1
1 258 . 12 1 1 A 28 28 LEU C C 28 177.514 178.301 -0.787 1
1 259 . 12 1 1 A 29 29 HIS N N 29 118.184 118.003 0.181 1
1 260 . 12 1 1 A 29 29 HIS H H 29 8.049 7.630 0.419 1
1 261 . 12 1 1 A 29 29 HIS CA C 29 59.106 59.362 -0.256 1
1 262 . 12 1 1 A 29 29 HIS HA H 29 4.409 4.203 0.206 1
1 263 . 12 1 1 A 29 29 HIS CB C 29 30.059 30.120 -0.061 1
1 270 . 12 1 1 A 29 29 HIS C C 29 178.350 178.285 0.065 1
1 271 . 12 1 1 A 30 30 VAL N N 30 118.277 119.107 -0.830 1
1 272 . 12 1 1 A 30 30 VAL H H 30 7.513 7.814 -0.301 1
1 273 . 12 1 1 A 30 30 VAL CA C 30 66.146 65.945 0.201 1
1 274 . 12 1 1 A 30 30 VAL HA H 30 3.665 3.592 0.073 1
1 275 . 12 1 1 A 30 30 VAL CB C 30 32.158 31.309 0.849 1
1 285 . 12 1 1 A 30 30 VAL C C 30 178.807 177.945 0.862 1
1 286 . 12 1 1 A 31 31 HIS N N 31 119.980 120.856 -0.876 1
1 287 . 12 1 1 A 31 31 HIS H H 31 7.606 7.892 -0.286 1
1 288 . 12 1 1 A 31 31 HIS CA C 31 59.357 58.809 0.548 1
1 289 . 12 1 1 A 31 31 HIS HA H 31 4.165 4.160 0.005 1
1 290 . 12 1 1 A 31 31 HIS CB C 31 28.519 29.647 -1.128 1
1 297 . 12 1 1 A 31 31 HIS C C 31 176.287 177.220 -0.933 1
1 298 . 12 1 1 A 32 32 GLN N N 32 114.428 118.912 -4.484 1
1 299 . 12 1 1 A 32 32 GLN H H 32 8.425 8.621 -0.196 1
1 300 . 12 1 1 A 32 32 GLN CA C 32 59.301 59.297 0.004 1
1 301 . 12 1 1 A 32 32 GLN HA H 32 3.688 4.032 -0.344 1
1 302 . 12 1 1 A 32 32 GLN CB C 32 28.202 28.183 0.019 1
1 311 . 12 1 1 A 32 32 GLN C C 32 177.554 178.392 -0.838 1
1 312 . 12 1 1 A 33 33 GLN N N 33 117.108 117.476 -0.368 1
1 313 . 12 1 1 A 33 33 GLN H H 33 7.239 7.684 -0.445 1
1 314 . 12 1 1 A 33 33 GLN CA C 33 57.802 58.117 -0.315 1
1 315 . 12 1 1 A 33 33 GLN HA H 33 4.073 4.097 -0.024 1
1 316 . 12 1 1 A 33 33 GLN CB C 33 28.374 27.611 0.763 1
1 325 . 12 1 1 A 33 33 GLN C C 33 178.214 178.434 -0.220 1
1 326 . 12 1 1 A 34 34 ILE N N 34 116.246 121.585 -5.339 1
1 327 . 12 1 1 A 34 34 ILE H H 34 7.802 7.988 -0.186 1
1 328 . 12 1 1 A 34 34 ILE CA C 34 63.058 62.914 0.144 1
1 329 . 12 1 1 A 34 34 ILE HA H 34 3.997 3.787 0.210 1
1 330 . 12 1 1 A 34 34 ILE CB C 34 37.744 37.435 0.309 1
1 343 . 12 1 1 A 34 34 ILE C C 34 177.303 176.717 0.586 1
1 344 . 12 1 1 A 35 35 HIS N N 35 117.300 119.295 -1.995 1
1 345 . 12 1 1 A 35 35 HIS H H 35 7.168 7.329 -0.161 1
1 346 . 12 1 1 A 35 35 HIS CA C 35 55.082 54.885 0.197 1
1 347 . 12 1 1 A 35 35 HIS HA H 35 4.902 4.640 0.262 1
1 348 . 12 1 1 A 35 35 HIS CB C 35 28.700 28.493 0.207 1
1 355 . 12 1 1 A 35 35 HIS C C 35 175.645 175.698 -0.053 1
1 356 . 12 1 1 A 36 36 THR N N 36 112.636 114.388 -1.752 1
1 357 . 12 1 1 A 36 36 THR H H 36 7.742 7.703 0.039 1
1 358 . 12 1 1 A 36 36 THR CA C 36 62.837 63.824 -0.987 1
1 359 . 12 1 1 A 36 36 THR HA H 36 4.303 4.364 -0.061 1
1 360 . 12 1 1 A 36 36 THR CB C 36 69.713 70.457 -0.744 1
1 366 . 12 1 1 A 36 36 THR C C 36 175.349 174.601 0.748 1
1 367 . 12 1 1 A 37 37 GLY N N 37 110.952 109.423 1.529 1
1 368 . 12 1 1 A 37 37 GLY H H 37 8.329 7.992 0.337 1
1 369 . 12 1 1 A 37 37 GLY CA C 37 45.353 46.996 -1.643 1
1 370 . 12 1 1 A 37 37 GLY HA2 H 37 4.000 3.895 0.105 1
1 371 . 12 1 1 A 37 37 GLY HA3 H 37 4.000 3.905 0.095 1
1 372 . 12 1 1 A 37 37 GLY C C 37 174.021 174.522 -0.501 1
1 373 . 12 1 1 A 38 38 GLU N N 38 120.547 123.619 -3.072 1
1 374 . 12 1 1 A 38 38 GLU H H 38 8.063 8.274 -0.211 1
1 375 . 12 1 1 A 38 38 GLU CA C 38 56.431 56.439 -0.008 1
1 376 . 12 1 1 A 38 38 GLU HA H 38 4.270 4.556 -0.286 1
1 377 . 12 1 1 A 38 38 GLU CB C 38 30.563 30.309 0.254 1
1 383 . 12 1 1 A 38 38 GLU C C 38 176.207 175.707 0.500 1
1 384 . 12 1 1 A 39 39 LYS N N 39 123.687 126.380 -2.693 1
1 385 . 12 1 1 A 39 39 LYS H H 39 8.412 8.259 0.153 1
1 386 . 12 1 1 A 39 39 LYS CA C 39 54.062 53.147 0.915 1
1 387 . 12 1 1 A 39 39 LYS HA H 39 4.621 4.744 -0.123 1
1 388 . 12 1 1 A 39 39 LYS CB C 39 32.571 34.859 -2.288 1
1 400 . 12 1 1 A 39 39 LYS C C 39 174.427 176.260 -1.833 1
1 401 . 12 1 1 A 40 40 PRO CA C 40 63.207 64.814 -1.607 1
1 402 . 12 1 1 A 40 40 PRO HA H 40 4.475 4.403 0.072 1
1 403 . 12 1 1 A 40 40 PRO CB C 40 32.205 32.417 -0.212 1
1 412 . 12 1 1 A 41 41 SER N N 41 116.537 113.001 3.536 1
1 413 . 12 1 1 A 41 41 SER H H 41 8.491 7.671 0.820 1
1 414 . 12 1 1 A 42 42 GLY CA C 42 44.661 44.019 0.642 1
1 415 . 12 1 1 A 42 42 GLY HA2 H 42 4.174 4.342 -0.168 1
1 416 . 12 1 1 A 42 42 GLY HA3 H 42 4.114 4.343 -0.229 1
1 417 . 12 1 1 A 43 43 PRO CA C 43 63.206 62.313 0.893 1
1 418 . 12 1 1 A 43 43 PRO HA H 43 4.479 4.708 -0.229 1
1 419 . 12 1 1 A 43 43 PRO CB C 43 32.187 29.817 2.370 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.470 46.685 -1.215 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 4.008 3.929 0.079 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 4.008 3.929 0.079 1
1 4 . 13 1 1 A 7 7 GLY C C 7 174.519 173.984 0.535 1
1 5 . 13 1 1 A 8 8 THR N N 8 112.809 115.651 -2.842 1
1 6 . 13 1 1 A 8 8 THR H H 8 8.167 8.128 0.039 1
1 7 . 13 1 1 A 8 8 THR CA C 8 61.860 63.075 -1.215 1
1 8 . 13 1 1 A 8 8 THR HA H 8 4.388 4.384 0.004 1
1 9 . 13 1 1 A 8 8 THR CB C 8 69.699 69.341 0.358 1
1 15 . 13 1 1 A 8 8 THR C C 8 175.277 173.681 1.596 1
1 16 . 13 1 1 A 9 9 GLY CA C 9 45.306 44.852 0.454 1
1 17 . 13 1 1 A 9 9 GLY HA2 H 9 3.979 4.160 -0.181 1
1 18 . 13 1 1 A 9 9 GLY HA3 H 9 3.938 4.163 -0.225 1
1 19 . 13 1 1 A 9 9 GLY C C 9 174.001 172.745 1.256 1
1 20 . 13 1 1 A 10 10 GLU N N 10 120.420 123.766 -3.346 1
1 21 . 13 1 1 A 10 10 GLU H H 10 8.230 8.891 -0.661 1
1 22 . 13 1 1 A 10 10 GLU CA C 10 56.759 55.035 1.724 1
1 23 . 13 1 1 A 10 10 GLU HA H 10 4.223 5.056 -0.833 1
1 24 . 13 1 1 A 10 10 GLU CB C 10 30.471 32.677 -2.206 1
1 30 . 13 1 1 A 10 10 GLU C C 10 176.269 175.154 1.115 1
1 31 . 13 1 1 A 11 11 LYS N N 11 122.538 122.596 -0.058 1
1 32 . 13 1 1 A 11 11 LYS H H 11 8.294 8.637 -0.343 1
1 33 . 13 1 1 A 11 11 LYS CA C 11 53.942 54.726 -0.784 1
1 34 . 13 1 1 A 11 11 LYS HA H 11 4.522 4.837 -0.315 1
1 35 . 13 1 1 A 11 11 LYS CB C 11 32.707 35.521 -2.814 1
1 47 . 13 1 1 A 11 11 LYS C C 11 174.065 176.095 -2.030 1
1 48 . 13 1 1 A 12 12 PRO CA C 12 63.244 64.653 -1.409 1
1 49 . 13 1 1 A 12 12 PRO HA H 12 4.306 4.230 0.076 1
1 50 . 13 1 1 A 12 12 PRO CB C 12 32.290 31.580 0.710 1
1 59 . 13 1 1 A 12 12 PRO C C 12 176.129 175.826 0.303 1
1 60 . 13 1 1 A 13 13 TYR N N 13 118.690 117.550 1.140 1
1 61 . 13 1 1 A 13 13 TYR H H 13 8.094 7.305 0.789 1
1 62 . 13 1 1 A 13 13 TYR CA C 13 57.656 56.961 0.695 1
1 63 . 13 1 1 A 13 13 TYR HA H 13 4.596 5.287 -0.691 1
1 64 . 13 1 1 A 13 13 TYR CB C 13 38.758 40.635 -1.877 1
1 75 . 13 1 1 A 13 13 TYR C C 13 174.523 174.241 0.282 1
1 76 . 13 1 1 A 14 14 GLU N N 14 124.311 125.193 -0.882 1
1 77 . 13 1 1 A 14 14 GLU H H 14 8.612 9.240 -0.628 1
1 78 . 13 1 1 A 14 14 GLU CA C 14 54.972 54.497 0.475 1
1 79 . 13 1 1 A 14 14 GLU HA H 14 4.858 5.151 -0.293 1
1 80 . 13 1 1 A 14 14 GLU CB C 14 33.017 33.475 -0.458 1
1 86 . 13 1 1 A 14 14 GLU C C 14 175.370 175.715 -0.345 1
1 87 . 13 1 1 A 15 15 CYS N N 15 126.829 126.078 0.751 1
1 88 . 13 1 1 A 15 15 CYS H H 15 9.299 9.482 -0.183 1
1 89 . 13 1 1 A 15 15 CYS CA C 15 59.489 59.577 -0.088 1
1 90 . 13 1 1 A 15 15 CYS HA H 15 4.615 4.750 -0.135 1
1 91 . 13 1 1 A 15 15 CYS CB C 15 29.588 28.745 0.843 1
1 94 . 13 1 1 A 15 15 CYS C C 15 177.251 174.927 2.324 1
1 95 . 13 1 1 A 16 16 SER CA C 16 60.823 59.791 1.032 1
1 96 . 13 1 1 A 16 16 SER HA H 16 4.324 4.564 -0.240 1
1 97 . 13 1 1 A 16 16 SER CB C 16 63.099 64.321 -1.222 1
1 100 . 13 1 1 A 16 16 SER C C 16 174.225 175.488 -1.263 1
1 101 . 13 1 1 A 17 17 ILE N N 17 123.696 121.433 2.263 1
1 102 . 13 1 1 A 17 17 ILE H H 17 8.607 7.506 1.101 1
1 103 . 13 1 1 A 17 17 ILE CA C 17 63.401 65.104 -1.703 1
1 104 . 13 1 1 A 17 17 ILE HA H 17 3.927 3.445 0.482 1
1 105 . 13 1 1 A 17 17 ILE CB C 17 38.358 38.051 0.307 1
1 118 . 13 1 1 A 17 17 ILE C C 17 176.969 177.504 -0.535 1
1 119 . 13 1 1 A 18 18 CYS N N 18 115.697 115.655 0.042 1
1 120 . 13 1 1 A 18 18 CYS H H 18 8.021 7.347 0.674 1
1 121 . 13 1 1 A 18 18 CYS CA C 18 58.229 59.620 -1.391 1
1 122 . 13 1 1 A 18 18 CYS HA H 18 5.203 4.626 0.577 1
1 123 . 13 1 1 A 18 18 CYS CB C 18 32.739 29.570 3.169 1
1 126 . 13 1 1 A 18 18 CYS C C 18 176.506 175.419 1.087 1
1 127 . 13 1 1 A 19 19 GLY N N 19 113.451 110.165 3.286 1
1 128 . 13 1 1 A 19 19 GLY H H 19 8.148 8.044 0.104 1
1 129 . 13 1 1 A 19 19 GLY CA C 19 46.236 45.025 1.211 1
1 130 . 13 1 1 A 19 19 GLY HA2 H 19 3.894 4.082 -0.188 1
1 131 . 13 1 1 A 19 19 GLY HA3 H 19 4.247 4.096 0.151 1
1 132 . 13 1 1 A 19 19 GLY C C 19 173.836 174.653 -0.817 1
1 133 . 13 1 1 A 20 20 LYS N N 20 122.918 121.207 1.711 1
1 134 . 13 1 1 A 20 20 LYS H H 20 7.971 7.496 0.475 1
1 135 . 13 1 1 A 20 20 LYS CA C 20 57.991 56.517 1.474 1
1 136 . 13 1 1 A 20 20 LYS HA H 20 4.043 4.205 -0.162 1
1 137 . 13 1 1 A 20 20 LYS CB C 20 33.587 33.931 -0.344 1
1 149 . 13 1 1 A 20 20 LYS C C 20 174.295 174.742 -0.447 1
1 150 . 13 1 1 A 21 21 SER N N 21 115.357 115.162 0.195 1
1 151 . 13 1 1 A 21 21 SER H H 21 7.819 8.131 -0.312 1
1 152 . 13 1 1 A 21 21 SER CA C 21 56.697 57.178 -0.481 1
1 153 . 13 1 1 A 21 21 SER HA H 21 5.301 5.015 0.286 1
1 154 . 13 1 1 A 21 21 SER CB C 21 66.038 66.063 -0.025 1
1 157 . 13 1 1 A 21 21 SER C C 21 173.121 172.594 0.527 1
1 158 . 13 1 1 A 22 22 PHE N N 22 118.204 121.219 -3.015 1
1 159 . 13 1 1 A 22 22 PHE H H 22 8.662 9.319 -0.657 1
1 160 . 13 1 1 A 22 22 PHE CA C 22 57.284 56.714 0.570 1
1 161 . 13 1 1 A 22 22 PHE HA H 22 4.810 4.886 -0.076 1
1 162 . 13 1 1 A 22 22 PHE CB C 22 43.860 43.345 0.515 1
1 175 . 13 1 1 A 22 22 PHE C C 22 175.380 175.542 -0.162 1
1 176 . 13 1 1 A 23 23 THR N N 23 114.460 114.111 0.349 1
1 177 . 13 1 1 A 23 23 THR H H 23 8.904 8.680 0.224 1
1 178 . 13 1 1 A 23 23 THR CA C 23 64.664 63.037 1.627 1
1 179 . 13 1 1 A 23 23 THR HA H 23 4.429 4.496 -0.067 1
1 180 . 13 1 1 A 23 23 THR CB C 23 69.577 69.184 0.393 1
1 186 . 13 1 1 A 23 23 THR C C 23 174.705 174.699 0.006 1
1 187 . 13 1 1 A 24 24 LYS N N 24 117.025 121.699 -4.674 1
1 188 . 13 1 1 A 24 24 LYS H H 24 7.637 7.573 0.064 1
1 189 . 13 1 1 A 24 24 LYS CA C 24 54.289 54.627 -0.338 1
1 190 . 13 1 1 A 24 24 LYS HA H 24 4.858 4.661 0.197 1
1 191 . 13 1 1 A 24 24 LYS CB C 24 35.986 34.473 1.513 1
1 203 . 13 1 1 A 24 24 LYS C C 24 176.551 176.010 0.541 1
1 204 . 13 1 1 A 25 25 LYS N N 25 127.352 126.480 0.872 1
1 205 . 13 1 1 A 25 25 LYS H H 25 8.516 8.529 -0.013 1
1 206 . 13 1 1 A 25 25 LYS CA C 25 59.682 59.245 0.437 1
1 207 . 13 1 1 A 25 25 LYS HA H 25 2.925 2.534 0.391 1
1 208 . 13 1 1 A 25 25 LYS CB C 25 31.703 31.540 0.163 1
1 220 . 13 1 1 A 25 25 LYS C C 25 178.182 177.207 0.975 1
1 221 . 13 1 1 A 26 26 SER CA C 26 60.759 61.364 -0.605 1
1 222 . 13 1 1 A 26 26 SER HA H 26 4.015 3.943 0.072 1
1 223 . 13 1 1 A 26 26 SER CB C 26 61.414 62.666 -1.252 1
1 226 . 13 1 1 A 26 26 SER C C 26 176.943 177.150 -0.207 1
1 227 . 13 1 1 A 27 27 GLN N N 27 120.004 121.612 -1.608 1
1 228 . 13 1 1 A 27 27 GLN H H 27 6.690 7.879 -1.189 1
1 229 . 13 1 1 A 27 27 GLN CA C 27 57.577 58.826 -1.249 1
1 230 . 13 1 1 A 27 27 GLN HA H 27 3.973 3.832 0.141 1
1 231 . 13 1 1 A 27 27 GLN CB C 27 28.433 27.986 0.447 1
1 240 . 13 1 1 A 27 27 GLN C C 27 178.831 178.083 0.748 1
1 241 . 13 1 1 A 28 28 LEU N N 28 121.687 121.220 0.467 1
1 242 . 13 1 1 A 28 28 LEU H H 28 6.973 7.204 -0.231 1
1 243 . 13 1 1 A 28 28 LEU CA C 28 57.775 57.693 0.082 1
1 244 . 13 1 1 A 28 28 LEU HA H 28 3.277 3.163 0.114 1
1 245 . 13 1 1 A 28 28 LEU CB C 28 40.177 41.661 -1.484 1
1 258 . 13 1 1 A 28 28 LEU C C 28 177.514 178.400 -0.886 1
1 259 . 13 1 1 A 29 29 HIS N N 29 118.184 117.862 0.322 1
1 260 . 13 1 1 A 29 29 HIS H H 29 8.049 7.696 0.353 1
1 261 . 13 1 1 A 29 29 HIS CA C 29 59.106 59.016 0.090 1
1 262 . 13 1 1 A 29 29 HIS HA H 29 4.409 4.177 0.232 1
1 263 . 13 1 1 A 29 29 HIS CB C 29 30.059 30.040 0.019 1
1 270 . 13 1 1 A 29 29 HIS C C 29 178.350 177.783 0.567 1
1 271 . 13 1 1 A 30 30 VAL N N 30 118.277 119.106 -0.829 1
1 272 . 13 1 1 A 30 30 VAL H H 30 7.513 7.903 -0.390 1
1 273 . 13 1 1 A 30 30 VAL CA C 30 66.146 66.331 -0.185 1
1 274 . 13 1 1 A 30 30 VAL HA H 30 3.665 3.410 0.255 1
1 275 . 13 1 1 A 30 30 VAL CB C 30 32.158 31.384 0.774 1
1 285 . 13 1 1 A 30 30 VAL C C 30 178.807 178.201 0.606 1
1 286 . 13 1 1 A 31 31 HIS N N 31 119.980 119.686 0.294 1
1 287 . 13 1 1 A 31 31 HIS H H 31 7.606 8.041 -0.435 1
1 288 . 13 1 1 A 31 31 HIS CA C 31 59.357 59.749 -0.392 1
1 289 . 13 1 1 A 31 31 HIS HA H 31 4.165 4.003 0.162 1
1 290 . 13 1 1 A 31 31 HIS CB C 31 28.519 29.636 -1.117 1
1 297 . 13 1 1 A 31 31 HIS C C 31 176.287 176.552 -0.265 1
1 298 . 13 1 1 A 32 32 GLN N N 32 114.428 117.138 -2.710 1
1 299 . 13 1 1 A 32 32 GLN H H 32 8.425 8.414 0.011 1
1 300 . 13 1 1 A 32 32 GLN CA C 32 59.301 59.260 0.041 1
1 301 . 13 1 1 A 32 32 GLN HA H 32 3.688 3.758 -0.070 1
1 302 . 13 1 1 A 32 32 GLN CB C 32 28.202 28.231 -0.029 1
1 311 . 13 1 1 A 32 32 GLN C C 32 177.554 178.468 -0.914 1
1 312 . 13 1 1 A 33 33 GLN N N 33 117.108 118.178 -1.070 1
1 313 . 13 1 1 A 33 33 GLN H H 33 7.239 8.069 -0.830 1
1 314 . 13 1 1 A 33 33 GLN CA C 33 57.802 59.164 -1.362 1
1 315 . 13 1 1 A 33 33 GLN HA H 33 4.073 3.901 0.172 1
1 316 . 13 1 1 A 33 33 GLN CB C 33 28.374 27.949 0.425 1
1 325 . 13 1 1 A 33 33 GLN C C 33 178.214 178.450 -0.236 1
1 326 . 13 1 1 A 34 34 ILE N N 34 116.246 120.908 -4.662 1
1 327 . 13 1 1 A 34 34 ILE H H 34 7.802 8.353 -0.551 1
1 328 . 13 1 1 A 34 34 ILE CA C 34 63.058 63.899 -0.841 1
1 329 . 13 1 1 A 34 34 ILE HA H 34 3.997 3.733 0.264 1
1 330 . 13 1 1 A 34 34 ILE CB C 34 37.744 37.585 0.159 1
1 343 . 13 1 1 A 34 34 ILE C C 34 177.303 177.627 -0.324 1
1 344 . 13 1 1 A 35 35 HIS N N 35 117.300 117.733 -0.433 1
1 345 . 13 1 1 A 35 35 HIS H H 35 7.168 7.724 -0.556 1
1 346 . 13 1 1 A 35 35 HIS CA C 35 55.082 59.280 -4.198 1
1 347 . 13 1 1 A 35 35 HIS HA H 35 4.902 4.357 0.545 1
1 348 . 13 1 1 A 35 35 HIS CB C 35 28.700 30.344 -1.644 1
1 355 . 13 1 1 A 35 35 HIS C C 35 175.645 176.401 -0.756 1
1 356 . 13 1 1 A 36 36 THR N N 36 112.636 111.506 1.130 1
1 357 . 13 1 1 A 36 36 THR H H 36 7.742 7.424 0.318 1
1 358 . 13 1 1 A 36 36 THR CA C 36 62.837 61.730 1.107 1
1 359 . 13 1 1 A 36 36 THR HA H 36 4.303 4.321 -0.018 1
1 360 . 13 1 1 A 36 36 THR CB C 36 69.713 69.347 0.366 1
1 366 . 13 1 1 A 36 36 THR C C 36 175.349 174.921 0.428 1
1 367 . 13 1 1 A 37 37 GLY N N 37 110.952 115.689 -4.737 1
1 368 . 13 1 1 A 37 37 GLY H H 37 8.329 8.757 -0.428 1
1 369 . 13 1 1 A 37 37 GLY CA C 37 45.353 46.105 -0.752 1
1 370 . 13 1 1 A 37 37 GLY HA2 H 37 4.000 4.087 -0.087 1
1 371 . 13 1 1 A 37 37 GLY HA3 H 37 4.000 4.092 -0.092 1
1 372 . 13 1 1 A 37 37 GLY C C 37 174.021 173.412 0.609 1
1 373 . 13 1 1 A 38 38 GLU N N 38 120.547 113.395 7.152 1
1 374 . 13 1 1 A 38 38 GLU H H 38 8.063 7.992 0.071 1
1 375 . 13 1 1 A 38 38 GLU CA C 38 56.431 57.474 -1.043 1
1 376 . 13 1 1 A 38 38 GLU HA H 38 4.270 3.839 0.431 1
1 377 . 13 1 1 A 38 38 GLU CB C 38 30.563 27.347 3.216 1
1 383 . 13 1 1 A 38 38 GLU C C 38 176.207 175.344 0.863 1
1 384 . 13 1 1 A 39 39 LYS N N 39 123.687 119.440 4.247 1
1 385 . 13 1 1 A 39 39 LYS H H 39 8.412 7.781 0.631 1
1 386 . 13 1 1 A 39 39 LYS CA C 39 54.062 53.947 0.115 1
1 387 . 13 1 1 A 39 39 LYS HA H 39 4.621 4.509 0.112 1
1 388 . 13 1 1 A 39 39 LYS CB C 39 32.571 31.928 0.643 1
1 400 . 13 1 1 A 39 39 LYS C C 39 174.427 174.345 0.082 1
1 401 . 13 1 1 A 40 40 PRO CA C 40 63.207 62.381 0.826 1
1 402 . 13 1 1 A 40 40 PRO HA H 40 4.475 4.628 -0.153 1
1 403 . 13 1 1 A 40 40 PRO CB C 40 32.205 32.746 -0.541 1
1 412 . 13 1 1 A 41 41 SER N N 41 116.537 115.596 0.941 1
1 413 . 13 1 1 A 41 41 SER H H 41 8.491 8.605 -0.114 1
1 414 . 13 1 1 A 42 42 GLY CA C 42 44.661 46.167 -1.506 1
1 415 . 13 1 1 A 42 42 GLY HA2 H 42 4.174 4.171 0.003 1
1 416 . 13 1 1 A 42 42 GLY HA3 H 42 4.114 4.171 -0.057 1
1 417 . 13 1 1 A 43 43 PRO CA C 43 63.206 63.884 -0.678 1
1 418 . 13 1 1 A 43 43 PRO HA H 43 4.479 4.393 0.086 1
1 419 . 13 1 1 A 43 43 PRO CB C 43 32.187 31.742 0.445 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.470 47.131 -1.661 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 4.008 3.871 0.137 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 4.008 3.872 0.136 1
1 4 . 14 1 1 A 7 7 GLY C C 7 174.519 175.026 -0.507 1
1 5 . 14 1 1 A 8 8 THR N N 8 112.809 114.588 -1.779 1
1 6 . 14 1 1 A 8 8 THR H H 8 8.167 7.840 0.327 1
1 7 . 14 1 1 A 8 8 THR CA C 8 61.860 63.958 -2.098 1
1 8 . 14 1 1 A 8 8 THR HA H 8 4.388 4.127 0.261 1
1 9 . 14 1 1 A 8 8 THR CB C 8 69.699 69.668 0.031 1
1 15 . 14 1 1 A 8 8 THR C C 8 175.277 174.462 0.815 1
1 16 . 14 1 1 A 9 9 GLY CA C 9 45.306 45.870 -0.564 1
1 17 . 14 1 1 A 9 9 GLY HA2 H 9 3.979 4.033 -0.054 1
1 18 . 14 1 1 A 9 9 GLY HA3 H 9 3.938 4.035 -0.097 1
1 19 . 14 1 1 A 9 9 GLY C C 9 174.001 173.563 0.438 1
1 20 . 14 1 1 A 10 10 GLU N N 10 120.420 122.611 -2.191 1
1 21 . 14 1 1 A 10 10 GLU H H 10 8.230 8.831 -0.601 1
1 22 . 14 1 1 A 10 10 GLU CA C 10 56.759 55.621 1.138 1
1 23 . 14 1 1 A 10 10 GLU HA H 10 4.223 4.569 -0.346 1
1 24 . 14 1 1 A 10 10 GLU CB C 10 30.471 29.986 0.485 1
1 30 . 14 1 1 A 10 10 GLU C C 10 176.269 176.388 -0.119 1
1 31 . 14 1 1 A 11 11 LYS N N 11 122.538 121.193 1.345 1
1 32 . 14 1 1 A 11 11 LYS H H 11 8.294 7.235 1.059 1
1 33 . 14 1 1 A 11 11 LYS CA C 11 53.942 55.116 -1.174 1
1 34 . 14 1 1 A 11 11 LYS HA H 11 4.522 4.345 0.177 1
1 35 . 14 1 1 A 11 11 LYS CB C 11 32.707 31.841 0.866 1
1 47 . 14 1 1 A 11 11 LYS C C 11 174.065 176.411 -2.346 1
1 48 . 14 1 1 A 12 12 PRO CA C 12 63.244 64.508 -1.264 1
1 49 . 14 1 1 A 12 12 PRO HA H 12 4.306 4.270 0.036 1
1 50 . 14 1 1 A 12 12 PRO CB C 12 32.290 31.621 0.669 1
1 59 . 14 1 1 A 12 12 PRO C C 12 176.129 175.737 0.392 1
1 60 . 14 1 1 A 13 13 TYR N N 13 118.690 117.788 0.902 1
1 61 . 14 1 1 A 13 13 TYR H H 13 8.094 7.061 1.033 1
1 62 . 14 1 1 A 13 13 TYR CA C 13 57.656 56.807 0.849 1
1 63 . 14 1 1 A 13 13 TYR HA H 13 4.596 5.344 -0.748 1
1 64 . 14 1 1 A 13 13 TYR CB C 13 38.758 41.317 -2.559 1
1 75 . 14 1 1 A 13 13 TYR C C 13 174.523 174.180 0.343 1
1 76 . 14 1 1 A 14 14 GLU N N 14 124.311 124.807 -0.496 1
1 77 . 14 1 1 A 14 14 GLU H H 14 8.612 9.194 -0.582 1
1 78 . 14 1 1 A 14 14 GLU CA C 14 54.972 54.597 0.375 1
1 79 . 14 1 1 A 14 14 GLU HA H 14 4.858 5.231 -0.373 1
1 80 . 14 1 1 A 14 14 GLU CB C 14 33.017 33.603 -0.586 1
1 86 . 14 1 1 A 14 14 GLU C C 14 175.370 175.276 0.094 1
1 87 . 14 1 1 A 15 15 CYS N N 15 126.829 125.407 1.422 1
1 88 . 14 1 1 A 15 15 CYS H H 15 9.299 9.007 0.292 1
1 89 . 14 1 1 A 15 15 CYS CA C 15 59.489 58.660 0.829 1
1 90 . 14 1 1 A 15 15 CYS HA H 15 4.615 4.738 -0.123 1
1 91 . 14 1 1 A 15 15 CYS CB C 15 29.588 28.539 1.049 1
1 94 . 14 1 1 A 15 15 CYS C C 15 177.251 175.704 1.547 1
1 95 . 14 1 1 A 16 16 SER CA C 16 60.823 58.157 2.666 1
1 96 . 14 1 1 A 16 16 SER HA H 16 4.324 4.711 -0.387 1
1 97 . 14 1 1 A 16 16 SER CB C 16 63.099 63.202 -0.103 1
1 100 . 14 1 1 A 16 16 SER C C 16 174.225 174.511 -0.286 1
1 101 . 14 1 1 A 17 17 ILE N N 17 123.696 120.339 3.357 1
1 102 . 14 1 1 A 17 17 ILE H H 17 8.607 7.686 0.921 1
1 103 . 14 1 1 A 17 17 ILE CA C 17 63.401 62.484 0.917 1
1 104 . 14 1 1 A 17 17 ILE HA H 17 3.927 4.102 -0.175 1
1 105 . 14 1 1 A 17 17 ILE CB C 17 38.358 38.744 -0.386 1
1 118 . 14 1 1 A 17 17 ILE C C 17 176.969 177.539 -0.570 1
1 119 . 14 1 1 A 18 18 CYS N N 18 115.697 115.998 -0.301 1
1 120 . 14 1 1 A 18 18 CYS H H 18 8.021 8.101 -0.080 1
1 121 . 14 1 1 A 18 18 CYS CA C 18 58.229 59.694 -1.465 1
1 122 . 14 1 1 A 18 18 CYS HA H 18 5.203 4.579 0.624 1
1 123 . 14 1 1 A 18 18 CYS CB C 18 32.739 29.445 3.294 1
1 126 . 14 1 1 A 18 18 CYS C C 18 176.506 175.169 1.337 1
1 127 . 14 1 1 A 19 19 GLY N N 19 113.451 109.571 3.880 1
1 128 . 14 1 1 A 19 19 GLY H H 19 8.148 7.980 0.168 1
1 129 . 14 1 1 A 19 19 GLY CA C 19 46.236 45.305 0.931 1
1 130 . 14 1 1 A 19 19 GLY HA2 H 19 3.894 4.085 -0.191 1
1 131 . 14 1 1 A 19 19 GLY HA3 H 19 4.247 4.095 0.152 1
1 132 . 14 1 1 A 19 19 GLY C C 19 173.836 174.144 -0.308 1
1 133 . 14 1 1 A 20 20 LYS N N 20 122.918 119.169 3.749 1
1 134 . 14 1 1 A 20 20 LYS H H 20 7.971 7.973 -0.002 1
1 135 . 14 1 1 A 20 20 LYS CA C 20 57.991 54.672 3.319 1
1 136 . 14 1 1 A 20 20 LYS HA H 20 4.043 4.600 -0.557 1
1 137 . 14 1 1 A 20 20 LYS CB C 20 33.587 34.387 -0.800 1
1 149 . 14 1 1 A 20 20 LYS C C 20 174.295 175.034 -0.739 1
1 150 . 14 1 1 A 21 21 SER N N 21 115.357 111.955 3.402 1
1 151 . 14 1 1 A 21 21 SER H H 21 7.819 8.102 -0.283 1
1 152 . 14 1 1 A 21 21 SER CA C 21 56.697 56.764 -0.067 1
1 153 . 14 1 1 A 21 21 SER HA H 21 5.301 5.258 0.043 1
1 154 . 14 1 1 A 21 21 SER CB C 21 66.038 66.154 -0.116 1
1 157 . 14 1 1 A 21 21 SER C C 21 173.121 172.488 0.633 1
1 158 . 14 1 1 A 22 22 PHE N N 22 118.204 119.209 -1.005 1
1 159 . 14 1 1 A 22 22 PHE H H 22 8.662 9.350 -0.688 1
1 160 . 14 1 1 A 22 22 PHE CA C 22 57.284 56.574 0.710 1
1 161 . 14 1 1 A 22 22 PHE HA H 22 4.810 4.870 -0.060 1
1 162 . 14 1 1 A 22 22 PHE CB C 22 43.860 43.277 0.583 1
1 175 . 14 1 1 A 22 22 PHE C C 22 175.380 175.396 -0.016 1
1 176 . 14 1 1 A 23 23 THR N N 23 114.460 112.808 1.652 1
1 177 . 14 1 1 A 23 23 THR H H 23 8.904 8.714 0.190 1
1 178 . 14 1 1 A 23 23 THR CA C 23 64.664 62.257 2.407 1
1 179 . 14 1 1 A 23 23 THR HA H 23 4.429 4.695 -0.266 1
1 180 . 14 1 1 A 23 23 THR CB C 23 69.577 69.079 0.498 1
1 186 . 14 1 1 A 23 23 THR C C 23 174.705 174.147 0.558 1
1 187 . 14 1 1 A 24 24 LYS N N 24 117.025 120.889 -3.864 1
1 188 . 14 1 1 A 24 24 LYS H H 24 7.637 7.571 0.066 1
1 189 . 14 1 1 A 24 24 LYS CA C 24 54.289 54.621 -0.332 1
1 190 . 14 1 1 A 24 24 LYS HA H 24 4.858 4.530 0.328 1
1 191 . 14 1 1 A 24 24 LYS CB C 24 35.986 34.788 1.198 1
1 203 . 14 1 1 A 24 24 LYS C C 24 176.551 175.952 0.599 1
1 204 . 14 1 1 A 25 25 LYS N N 25 127.352 126.684 0.668 1
1 205 . 14 1 1 A 25 25 LYS H H 25 8.516 8.219 0.297 1
1 206 . 14 1 1 A 25 25 LYS CA C 25 59.682 59.242 0.440 1
1 207 . 14 1 1 A 25 25 LYS HA H 25 2.925 2.943 -0.018 1
1 208 . 14 1 1 A 25 25 LYS CB C 25 31.703 31.737 -0.034 1
1 220 . 14 1 1 A 25 25 LYS C C 25 178.182 177.303 0.879 1
1 221 . 14 1 1 A 26 26 SER CA C 26 60.759 61.418 -0.659 1
1 222 . 14 1 1 A 26 26 SER HA H 26 4.015 4.089 -0.074 1
1 223 . 14 1 1 A 26 26 SER CB C 26 61.414 62.779 -1.365 1
1 226 . 14 1 1 A 26 26 SER C C 26 176.943 177.281 -0.338 1
1 227 . 14 1 1 A 27 27 GLN N N 27 120.004 121.707 -1.703 1
1 228 . 14 1 1 A 27 27 GLN H H 27 6.690 7.638 -0.948 1
1 229 . 14 1 1 A 27 27 GLN CA C 27 57.577 58.935 -1.358 1
1 230 . 14 1 1 A 27 27 GLN HA H 27 3.973 3.882 0.091 1
1 231 . 14 1 1 A 27 27 GLN CB C 27 28.433 28.027 0.406 1
1 240 . 14 1 1 A 27 27 GLN C C 27 178.831 178.104 0.727 1
1 241 . 14 1 1 A 28 28 LEU N N 28 121.687 121.464 0.223 1
1 242 . 14 1 1 A 28 28 LEU H H 28 6.973 7.382 -0.409 1
1 243 . 14 1 1 A 28 28 LEU CA C 28 57.775 57.633 0.142 1
1 244 . 14 1 1 A 28 28 LEU HA H 28 3.277 3.021 0.256 1
1 245 . 14 1 1 A 28 28 LEU CB C 28 40.177 41.645 -1.468 1
1 258 . 14 1 1 A 28 28 LEU C C 28 177.514 178.365 -0.851 1
1 259 . 14 1 1 A 29 29 HIS N N 29 118.184 117.748 0.436 1
1 260 . 14 1 1 A 29 29 HIS H H 29 8.049 7.880 0.169 1
1 261 . 14 1 1 A 29 29 HIS CA C 29 59.106 59.390 -0.284 1
1 262 . 14 1 1 A 29 29 HIS HA H 29 4.409 4.184 0.225 1
1 263 . 14 1 1 A 29 29 HIS CB C 29 30.059 29.950 0.109 1
1 270 . 14 1 1 A 29 29 HIS C C 29 178.350 177.858 0.492 1
1 271 . 14 1 1 A 30 30 VAL N N 30 118.277 119.057 -0.780 1
1 272 . 14 1 1 A 30 30 VAL H H 30 7.513 7.945 -0.432 1
1 273 . 14 1 1 A 30 30 VAL CA C 30 66.146 66.030 0.116 1
1 274 . 14 1 1 A 30 30 VAL HA H 30 3.665 3.403 0.262 1
1 275 . 14 1 1 A 30 30 VAL CB C 30 32.158 31.622 0.536 1
1 285 . 14 1 1 A 30 30 VAL C C 30 178.807 177.996 0.811 1
1 286 . 14 1 1 A 31 31 HIS N N 31 119.980 119.452 0.528 1
1 287 . 14 1 1 A 31 31 HIS H H 31 7.606 8.214 -0.608 1
1 288 . 14 1 1 A 31 31 HIS CA C 31 59.357 60.058 -0.701 1
1 289 . 14 1 1 A 31 31 HIS HA H 31 4.165 4.089 0.076 1
1 290 . 14 1 1 A 31 31 HIS CB C 31 28.519 29.329 -0.810 1
1 297 . 14 1 1 A 31 31 HIS C C 31 176.287 176.858 -0.571 1
1 298 . 14 1 1 A 32 32 GLN N N 32 114.428 116.948 -2.520 1
1 299 . 14 1 1 A 32 32 GLN H H 32 8.425 8.427 -0.002 1
1 300 . 14 1 1 A 32 32 GLN CA C 32 59.301 59.113 0.188 1
1 301 . 14 1 1 A 32 32 GLN HA H 32 3.688 3.707 -0.019 1
1 302 . 14 1 1 A 32 32 GLN CB C 32 28.202 28.261 -0.059 1
1 311 . 14 1 1 A 32 32 GLN C C 32 177.554 178.578 -1.024 1
1 312 . 14 1 1 A 33 33 GLN N N 33 117.108 119.353 -2.245 1
1 313 . 14 1 1 A 33 33 GLN H H 33 7.239 7.486 -0.247 1
1 314 . 14 1 1 A 33 33 GLN CA C 33 57.802 58.790 -0.988 1
1 315 . 14 1 1 A 33 33 GLN HA H 33 4.073 3.958 0.115 1
1 316 . 14 1 1 A 33 33 GLN CB C 33 28.374 28.019 0.355 1
1 325 . 14 1 1 A 33 33 GLN C C 33 178.214 178.879 -0.665 1
1 326 . 14 1 1 A 34 34 ILE N N 34 116.246 120.323 -4.077 1
1 327 . 14 1 1 A 34 34 ILE H H 34 7.802 8.138 -0.336 1
1 328 . 14 1 1 A 34 34 ILE CA C 34 63.058 63.169 -0.111 1
1 329 . 14 1 1 A 34 34 ILE HA H 34 3.997 3.799 0.198 1
1 330 . 14 1 1 A 34 34 ILE CB C 34 37.744 37.617 0.127 1
1 343 . 14 1 1 A 34 34 ILE C C 34 177.303 177.084 0.219 1
1 344 . 14 1 1 A 35 35 HIS N N 35 117.300 117.297 0.003 1
1 345 . 14 1 1 A 35 35 HIS H H 35 7.168 7.242 -0.074 1
1 346 . 14 1 1 A 35 35 HIS CA C 35 55.082 59.234 -4.152 1
1 347 . 14 1 1 A 35 35 HIS HA H 35 4.902 4.333 0.569 1
1 348 . 14 1 1 A 35 35 HIS CB C 35 28.700 30.791 -2.091 1
1 355 . 14 1 1 A 35 35 HIS C C 35 175.645 176.173 -0.528 1
1 356 . 14 1 1 A 36 36 THR N N 36 112.636 112.246 0.390 1
1 357 . 14 1 1 A 36 36 THR H H 36 7.742 7.496 0.246 1
1 358 . 14 1 1 A 36 36 THR CA C 36 62.837 63.282 -0.445 1
1 359 . 14 1 1 A 36 36 THR HA H 36 4.303 4.104 0.199 1
1 360 . 14 1 1 A 36 36 THR CB C 36 69.713 69.098 0.615 1
1 366 . 14 1 1 A 36 36 THR C C 36 175.349 175.074 0.275 1
1 367 . 14 1 1 A 37 37 GLY N N 37 110.952 115.518 -4.566 1
1 368 . 14 1 1 A 37 37 GLY H H 37 8.329 8.403 -0.074 1
1 369 . 14 1 1 A 37 37 GLY CA C 37 45.353 45.470 -0.117 1
1 370 . 14 1 1 A 37 37 GLY HA2 H 37 4.000 3.979 0.021 1
1 371 . 14 1 1 A 37 37 GLY HA3 H 37 4.000 3.980 0.020 1
1 372 . 14 1 1 A 37 37 GLY C C 37 174.021 173.340 0.681 1
1 373 . 14 1 1 A 38 38 GLU N N 38 120.547 120.651 -0.104 1
1 374 . 14 1 1 A 38 38 GLU H H 38 8.063 8.072 -0.009 1
1 375 . 14 1 1 A 38 38 GLU CA C 38 56.431 55.524 0.907 1
1 376 . 14 1 1 A 38 38 GLU HA H 38 4.270 4.878 -0.608 1
1 377 . 14 1 1 A 38 38 GLU CB C 38 30.563 32.957 -2.394 1
1 383 . 14 1 1 A 38 38 GLU C C 38 176.207 174.208 1.999 1
1 384 . 14 1 1 A 39 39 LYS N N 39 123.687 127.443 -3.756 1
1 385 . 14 1 1 A 39 39 LYS H H 39 8.412 8.774 -0.362 1
1 386 . 14 1 1 A 39 39 LYS CA C 39 54.062 53.354 0.708 1
1 387 . 14 1 1 A 39 39 LYS HA H 39 4.621 4.847 -0.226 1
1 388 . 14 1 1 A 39 39 LYS CB C 39 32.571 33.475 -0.904 1
1 400 . 14 1 1 A 39 39 LYS C C 39 174.427 174.812 -0.385 1
1 401 . 14 1 1 A 40 40 PRO CA C 40 63.207 65.087 -1.880 1
1 402 . 14 1 1 A 40 40 PRO HA H 40 4.475 4.379 0.096 1
1 403 . 14 1 1 A 40 40 PRO CB C 40 32.205 32.081 0.124 1
1 412 . 14 1 1 A 41 41 SER N N 41 116.537 111.018 5.519 1
1 413 . 14 1 1 A 41 41 SER H H 41 8.491 7.690 0.801 1
1 414 . 14 1 1 A 42 42 GLY CA C 42 44.661 45.459 -0.798 1
1 415 . 14 1 1 A 42 42 GLY HA2 H 42 4.174 4.488 -0.314 1
1 416 . 14 1 1 A 42 42 GLY HA3 H 42 4.114 4.488 -0.374 1
1 417 . 14 1 1 A 43 43 PRO CA C 43 63.206 62.573 0.633 1
1 418 . 14 1 1 A 43 43 PRO HA H 43 4.479 4.745 -0.266 1
1 419 . 14 1 1 A 43 43 PRO CB C 43 32.187 33.547 -1.360 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.470 45.516 -0.046 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 4.008 4.129 -0.121 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 4.008 4.131 -0.123 1
1 4 . 15 1 1 A 7 7 GLY C C 7 174.519 173.466 1.053 1
1 5 . 15 1 1 A 8 8 THR N N 8 112.809 116.742 -3.933 1
1 6 . 15 1 1 A 8 8 THR H H 8 8.167 8.732 -0.565 1
1 7 . 15 1 1 A 8 8 THR CA C 8 61.860 62.187 -0.327 1
1 8 . 15 1 1 A 8 8 THR HA H 8 4.388 4.319 0.069 1
1 9 . 15 1 1 A 8 8 THR CB C 8 69.699 69.085 0.614 1
1 15 . 15 1 1 A 8 8 THR C C 8 175.277 174.462 0.815 1
1 16 . 15 1 1 A 9 9 GLY CA C 9 45.306 45.856 -0.550 1
1 17 . 15 1 1 A 9 9 GLY HA2 H 9 3.979 4.079 -0.100 1
1 18 . 15 1 1 A 9 9 GLY HA3 H 9 3.938 4.080 -0.142 1
1 19 . 15 1 1 A 9 9 GLY C C 9 174.001 171.947 2.054 1
1 20 . 15 1 1 A 10 10 GLU N N 10 120.420 124.737 -4.317 1
1 21 . 15 1 1 A 10 10 GLU H H 10 8.230 9.037 -0.807 1
1 22 . 15 1 1 A 10 10 GLU CA C 10 56.759 54.967 1.792 1
1 23 . 15 1 1 A 10 10 GLU HA H 10 4.223 5.056 -0.833 1
1 24 . 15 1 1 A 10 10 GLU CB C 10 30.471 32.519 -2.048 1
1 30 . 15 1 1 A 10 10 GLU C C 10 176.269 175.754 0.515 1
1 31 . 15 1 1 A 11 11 LYS N N 11 122.538 126.919 -4.381 1
1 32 . 15 1 1 A 11 11 LYS H H 11 8.294 8.791 -0.497 1
1 33 . 15 1 1 A 11 11 LYS CA C 11 53.942 54.153 -0.211 1
1 34 . 15 1 1 A 11 11 LYS HA H 11 4.522 4.476 0.046 1
1 35 . 15 1 1 A 11 11 LYS CB C 11 32.707 31.946 0.761 1
1 47 . 15 1 1 A 11 11 LYS C C 11 174.065 176.499 -2.434 1
1 48 . 15 1 1 A 12 12 PRO CA C 12 63.244 64.408 -1.164 1
1 49 . 15 1 1 A 12 12 PRO HA H 12 4.306 4.256 0.050 1
1 50 . 15 1 1 A 12 12 PRO CB C 12 32.290 31.654 0.636 1
1 59 . 15 1 1 A 12 12 PRO C C 12 176.129 175.571 0.558 1
1 60 . 15 1 1 A 13 13 TYR N N 13 118.690 118.421 0.269 1
1 61 . 15 1 1 A 13 13 TYR H H 13 8.094 7.114 0.980 1
1 62 . 15 1 1 A 13 13 TYR CA C 13 57.656 56.464 1.192 1
1 63 . 15 1 1 A 13 13 TYR HA H 13 4.596 5.368 -0.772 1
1 64 . 15 1 1 A 13 13 TYR CB C 13 38.758 41.967 -3.209 1
1 75 . 15 1 1 A 13 13 TYR C C 13 174.523 174.497 0.026 1
1 76 . 15 1 1 A 14 14 GLU N N 14 124.311 121.326 2.985 1
1 77 . 15 1 1 A 14 14 GLU H H 14 8.612 8.896 -0.284 1
1 78 . 15 1 1 A 14 14 GLU CA C 14 54.972 56.114 -1.142 1
1 79 . 15 1 1 A 14 14 GLU HA H 14 4.858 5.027 -0.169 1
1 80 . 15 1 1 A 14 14 GLU CB C 14 33.017 33.538 -0.521 1
1 86 . 15 1 1 A 14 14 GLU C C 14 175.370 174.969 0.401 1
1 87 . 15 1 1 A 15 15 CYS N N 15 126.829 125.726 1.103 1
1 88 . 15 1 1 A 15 15 CYS H H 15 9.299 9.423 -0.124 1
1 89 . 15 1 1 A 15 15 CYS CA C 15 59.489 59.702 -0.213 1
1 90 . 15 1 1 A 15 15 CYS HA H 15 4.615 4.698 -0.083 1
1 91 . 15 1 1 A 15 15 CYS CB C 15 29.588 28.760 0.828 1
1 94 . 15 1 1 A 15 15 CYS C C 15 177.251 174.736 2.515 1
1 95 . 15 1 1 A 16 16 SER CA C 16 60.823 60.150 0.673 1
1 96 . 15 1 1 A 16 16 SER HA H 16 4.324 4.568 -0.244 1
1 97 . 15 1 1 A 16 16 SER CB C 16 63.099 64.047 -0.948 1
1 100 . 15 1 1 A 16 16 SER C C 16 174.225 175.865 -1.640 1
1 101 . 15 1 1 A 17 17 ILE N N 17 123.696 121.711 1.985 1
1 102 . 15 1 1 A 17 17 ILE H H 17 8.607 7.371 1.236 1
1 103 . 15 1 1 A 17 17 ILE CA C 17 63.401 65.216 -1.815 1
1 104 . 15 1 1 A 17 17 ILE HA H 17 3.927 3.490 0.437 1
1 105 . 15 1 1 A 17 17 ILE CB C 17 38.358 37.614 0.744 1
1 118 . 15 1 1 A 17 17 ILE C C 17 176.969 177.545 -0.576 1
1 119 . 15 1 1 A 18 18 CYS N N 18 115.697 115.794 -0.097 1
1 120 . 15 1 1 A 18 18 CYS H H 18 8.021 7.295 0.726 1
1 121 . 15 1 1 A 18 18 CYS CA C 18 58.229 59.681 -1.452 1
1 122 . 15 1 1 A 18 18 CYS HA H 18 5.203 4.610 0.593 1
1 123 . 15 1 1 A 18 18 CYS CB C 18 32.739 29.511 3.228 1
1 126 . 15 1 1 A 18 18 CYS C C 18 176.506 175.260 1.246 1
1 127 . 15 1 1 A 19 19 GLY N N 19 113.451 110.365 3.086 1
1 128 . 15 1 1 A 19 19 GLY H H 19 8.148 8.203 -0.055 1
1 129 . 15 1 1 A 19 19 GLY CA C 19 46.236 45.230 1.006 1
1 130 . 15 1 1 A 19 19 GLY HA2 H 19 3.894 4.050 -0.156 1
1 131 . 15 1 1 A 19 19 GLY HA3 H 19 4.247 4.064 0.183 1
1 132 . 15 1 1 A 19 19 GLY C C 19 173.836 174.594 -0.758 1
1 133 . 15 1 1 A 20 20 LYS N N 20 122.918 120.310 2.608 1
1 134 . 15 1 1 A 20 20 LYS H H 20 7.971 7.309 0.662 1
1 135 . 15 1 1 A 20 20 LYS CA C 20 57.991 55.524 2.467 1
1 136 . 15 1 1 A 20 20 LYS HA H 20 4.043 4.392 -0.349 1
1 137 . 15 1 1 A 20 20 LYS CB C 20 33.587 34.355 -0.768 1
1 149 . 15 1 1 A 20 20 LYS C C 20 174.295 175.441 -1.146 1
1 150 . 15 1 1 A 21 21 SER N N 21 115.357 112.347 3.010 1
1 151 . 15 1 1 A 21 21 SER H H 21 7.819 8.240 -0.421 1
1 152 . 15 1 1 A 21 21 SER CA C 21 56.697 56.297 0.400 1
1 153 . 15 1 1 A 21 21 SER HA H 21 5.301 5.226 0.075 1
1 154 . 15 1 1 A 21 21 SER CB C 21 66.038 65.886 0.152 1
1 157 . 15 1 1 A 21 21 SER C C 21 173.121 172.752 0.369 1
1 158 . 15 1 1 A 22 22 PHE N N 22 118.204 119.310 -1.106 1
1 159 . 15 1 1 A 22 22 PHE H H 22 8.662 8.601 0.061 1
1 160 . 15 1 1 A 22 22 PHE CA C 22 57.284 56.329 0.955 1
1 161 . 15 1 1 A 22 22 PHE HA H 22 4.810 4.989 -0.179 1
1 162 . 15 1 1 A 22 22 PHE CB C 22 43.860 44.085 -0.225 1
1 175 . 15 1 1 A 22 22 PHE C C 22 175.380 174.995 0.385 1
1 176 . 15 1 1 A 23 23 THR N N 23 114.460 112.704 1.756 1
1 177 . 15 1 1 A 23 23 THR H H 23 8.904 8.676 0.228 1
1 178 . 15 1 1 A 23 23 THR CA C 23 64.664 61.375 3.289 1
1 179 . 15 1 1 A 23 23 THR HA H 23 4.429 4.831 -0.402 1
1 180 . 15 1 1 A 23 23 THR CB C 23 69.577 69.794 -0.217 1
1 186 . 15 1 1 A 23 23 THR C C 23 174.705 174.405 0.300 1
1 187 . 15 1 1 A 24 24 LYS N N 24 117.025 120.434 -3.409 1
1 188 . 15 1 1 A 24 24 LYS H H 24 7.637 7.660 -0.023 1
1 189 . 15 1 1 A 24 24 LYS CA C 24 54.289 54.951 -0.662 1
1 190 . 15 1 1 A 24 24 LYS HA H 24 4.858 4.829 0.029 1
1 191 . 15 1 1 A 24 24 LYS CB C 24 35.986 35.537 0.449 1
1 203 . 15 1 1 A 24 24 LYS C C 24 176.551 176.330 0.221 1
1 204 . 15 1 1 A 25 25 LYS N N 25 127.352 125.199 2.153 1
1 205 . 15 1 1 A 25 25 LYS H H 25 8.516 8.857 -0.341 1
1 206 . 15 1 1 A 25 25 LYS CA C 25 59.682 59.694 -0.012 1
1 207 . 15 1 1 A 25 25 LYS HA H 25 2.925 2.898 0.027 1
1 208 . 15 1 1 A 25 25 LYS CB C 25 31.703 31.741 -0.038 1
1 220 . 15 1 1 A 25 25 LYS C C 25 178.182 178.183 -0.001 1
1 221 . 15 1 1 A 26 26 SER CA C 26 60.759 61.477 -0.718 1
1 222 . 15 1 1 A 26 26 SER HA H 26 4.015 4.087 -0.072 1
1 223 . 15 1 1 A 26 26 SER CB C 26 61.414 62.751 -1.337 1
1 226 . 15 1 1 A 26 26 SER C C 26 176.943 177.157 -0.214 1
1 227 . 15 1 1 A 27 27 GLN N N 27 120.004 121.725 -1.721 1
1 228 . 15 1 1 A 27 27 GLN H H 27 6.690 7.677 -0.987 1
1 229 . 15 1 1 A 27 27 GLN CA C 27 57.577 58.900 -1.323 1
1 230 . 15 1 1 A 27 27 GLN HA H 27 3.973 3.915 0.058 1
1 231 . 15 1 1 A 27 27 GLN CB C 27 28.433 28.083 0.350 1
1 240 . 15 1 1 A 27 27 GLN C C 27 178.831 178.075 0.756 1
1 241 . 15 1 1 A 28 28 LEU N N 28 121.687 121.335 0.352 1
1 242 . 15 1 1 A 28 28 LEU H H 28 6.973 7.399 -0.426 1
1 243 . 15 1 1 A 28 28 LEU CA C 28 57.775 57.356 0.419 1
1 244 . 15 1 1 A 28 28 LEU HA H 28 3.277 2.674 0.603 1
1 245 . 15 1 1 A 28 28 LEU CB C 28 40.177 41.294 -1.117 1
1 258 . 15 1 1 A 28 28 LEU C C 28 177.514 178.233 -0.719 1
1 259 . 15 1 1 A 29 29 HIS N N 29 118.184 117.970 0.214 1
1 260 . 15 1 1 A 29 29 HIS H H 29 8.049 7.946 0.103 1
1 261 . 15 1 1 A 29 29 HIS CA C 29 59.106 59.319 -0.213 1
1 262 . 15 1 1 A 29 29 HIS HA H 29 4.409 4.097 0.312 1
1 263 . 15 1 1 A 29 29 HIS CB C 29 30.059 30.083 -0.024 1
1 270 . 15 1 1 A 29 29 HIS C C 29 178.350 177.620 0.730 1
1 271 . 15 1 1 A 30 30 VAL N N 30 118.277 119.026 -0.749 1
1 272 . 15 1 1 A 30 30 VAL H H 30 7.513 8.028 -0.515 1
1 273 . 15 1 1 A 30 30 VAL CA C 30 66.146 66.339 -0.193 1
1 274 . 15 1 1 A 30 30 VAL HA H 30 3.665 3.426 0.239 1
1 275 . 15 1 1 A 30 30 VAL CB C 30 32.158 31.544 0.614 1
1 285 . 15 1 1 A 30 30 VAL C C 30 178.807 178.250 0.557 1
1 286 . 15 1 1 A 31 31 HIS N N 31 119.980 119.022 0.958 1
1 287 . 15 1 1 A 31 31 HIS H H 31 7.606 8.161 -0.555 1
1 288 . 15 1 1 A 31 31 HIS CA C 31 59.357 60.044 -0.687 1
1 289 . 15 1 1 A 31 31 HIS HA H 31 4.165 4.061 0.104 1
1 290 . 15 1 1 A 31 31 HIS CB C 31 28.519 29.426 -0.907 1
1 297 . 15 1 1 A 31 31 HIS C C 31 176.287 176.338 -0.051 1
1 298 . 15 1 1 A 32 32 GLN N N 32 114.428 117.068 -2.640 1
1 299 . 15 1 1 A 32 32 GLN H H 32 8.425 8.282 0.143 1
1 300 . 15 1 1 A 32 32 GLN CA C 32 59.301 59.248 0.053 1
1 301 . 15 1 1 A 32 32 GLN HA H 32 3.688 3.747 -0.059 1
1 302 . 15 1 1 A 32 32 GLN CB C 32 28.202 28.179 0.023 1
1 311 . 15 1 1 A 32 32 GLN C C 32 177.554 178.433 -0.879 1
1 312 . 15 1 1 A 33 33 GLN N N 33 117.108 118.030 -0.922 1
1 313 . 15 1 1 A 33 33 GLN H H 33 7.239 7.886 -0.647 1
1 314 . 15 1 1 A 33 33 GLN CA C 33 57.802 59.123 -1.321 1
1 315 . 15 1 1 A 33 33 GLN HA H 33 4.073 3.875 0.198 1
1 316 . 15 1 1 A 33 33 GLN CB C 33 28.374 27.997 0.377 1
1 325 . 15 1 1 A 33 33 GLN C C 33 178.214 178.248 -0.034 1
1 326 . 15 1 1 A 34 34 ILE N N 34 116.246 120.885 -4.639 1
1 327 . 15 1 1 A 34 34 ILE H H 34 7.802 8.214 -0.412 1
1 328 . 15 1 1 A 34 34 ILE CA C 34 63.058 64.002 -0.944 1
1 329 . 15 1 1 A 34 34 ILE HA H 34 3.997 3.705 0.292 1
1 330 . 15 1 1 A 34 34 ILE CB C 34 37.744 37.528 0.216 1
1 343 . 15 1 1 A 34 34 ILE C C 34 177.303 177.669 -0.366 1
1 344 . 15 1 1 A 35 35 HIS N N 35 117.300 118.335 -1.035 1
1 345 . 15 1 1 A 35 35 HIS H H 35 7.168 7.496 -0.328 1
1 346 . 15 1 1 A 35 35 HIS CA C 35 55.082 59.346 -4.264 1
1 347 . 15 1 1 A 35 35 HIS HA H 35 4.902 4.354 0.548 1
1 348 . 15 1 1 A 35 35 HIS CB C 35 28.700 30.749 -2.049 1
1 355 . 15 1 1 A 35 35 HIS C C 35 175.645 176.639 -0.994 1
1 356 . 15 1 1 A 36 36 THR N N 36 112.636 111.536 1.100 1
1 357 . 15 1 1 A 36 36 THR H H 36 7.742 7.550 0.192 1
1 358 . 15 1 1 A 36 36 THR CA C 36 62.837 61.510 1.327 1
1 359 . 15 1 1 A 36 36 THR HA H 36 4.303 4.273 0.030 1
1 360 . 15 1 1 A 36 36 THR CB C 36 69.713 67.249 2.464 1
1 366 . 15 1 1 A 36 36 THR C C 36 175.349 173.806 1.543 1
1 367 . 15 1 1 A 37 37 GLY N N 37 110.952 110.161 0.791 1
1 368 . 15 1 1 A 37 37 GLY H H 37 8.329 7.728 0.601 1
1 369 . 15 1 1 A 37 37 GLY CA C 37 45.353 44.928 0.425 1
1 370 . 15 1 1 A 37 37 GLY HA2 H 37 4.000 4.233 -0.233 1
1 371 . 15 1 1 A 37 37 GLY HA3 H 37 4.000 4.241 -0.241 1
1 372 . 15 1 1 A 37 37 GLY C C 37 174.021 171.936 2.085 1
1 373 . 15 1 1 A 38 38 GLU N N 38 120.547 124.864 -4.317 1
1 374 . 15 1 1 A 38 38 GLU H H 38 8.063 8.678 -0.615 1
1 375 . 15 1 1 A 38 38 GLU CA C 38 56.431 54.577 1.854 1
1 376 . 15 1 1 A 38 38 GLU HA H 38 4.270 4.728 -0.458 1
1 377 . 15 1 1 A 38 38 GLU CB C 38 30.563 32.243 -1.680 1
1 383 . 15 1 1 A 38 38 GLU C C 38 176.207 175.997 0.210 1
1 384 . 15 1 1 A 39 39 LYS N N 39 123.687 120.548 3.139 1
1 385 . 15 1 1 A 39 39 LYS H H 39 8.412 8.792 -0.380 1
1 386 . 15 1 1 A 39 39 LYS CA C 39 54.062 56.907 -2.845 1
1 387 . 15 1 1 A 39 39 LYS HA H 39 4.621 3.753 0.868 1
1 388 . 15 1 1 A 39 39 LYS CB C 39 32.571 30.641 1.930 1
1 400 . 15 1 1 A 39 39 LYS C C 39 174.427 174.917 -0.490 1
1 401 . 15 1 1 A 40 40 PRO CA C 40 63.207 62.293 0.914 1
1 402 . 15 1 1 A 40 40 PRO HA H 40 4.475 4.556 -0.081 1
1 403 . 15 1 1 A 40 40 PRO CB C 40 32.205 33.023 -0.818 1
1 412 . 15 1 1 A 41 41 SER N N 41 116.537 116.506 0.031 1
1 413 . 15 1 1 A 41 41 SER H H 41 8.491 8.539 -0.048 1
1 414 . 15 1 1 A 42 42 GLY CA C 42 44.661 44.312 0.349 1
1 415 . 15 1 1 A 42 42 GLY HA2 H 42 4.174 4.221 -0.047 1
1 416 . 15 1 1 A 42 42 GLY HA3 H 42 4.114 4.221 -0.107 1
1 417 . 15 1 1 A 43 43 PRO CA C 43 63.206 64.328 -1.122 1
1 418 . 15 1 1 A 43 43 PRO HA H 43 4.479 4.470 0.009 1
1 419 . 15 1 1 A 43 43 PRO CB C 43 32.187 31.724 0.463 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.470 45.357 0.113 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 4.008 3.961 0.047 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 4.008 3.967 0.041 1
1 4 . 16 1 1 A 7 7 GLY C C 7 174.519 174.727 -0.208 1
1 5 . 16 1 1 A 8 8 THR N N 8 112.809 115.319 -2.510 1
1 6 . 16 1 1 A 8 8 THR H H 8 8.167 7.635 0.532 1
1 7 . 16 1 1 A 8 8 THR CA C 8 61.860 64.678 -2.818 1
1 8 . 16 1 1 A 8 8 THR HA H 8 4.388 4.132 0.256 1
1 9 . 16 1 1 A 8 8 THR CB C 8 69.699 68.727 0.972 1
1 15 . 16 1 1 A 8 8 THR C C 8 175.277 174.804 0.473 1
1 16 . 16 1 1 A 9 9 GLY CA C 9 45.306 44.622 0.684 1
1 17 . 16 1 1 A 9 9 GLY HA2 H 9 3.979 4.146 -0.167 1
1 18 . 16 1 1 A 9 9 GLY HA3 H 9 3.938 4.150 -0.212 1
1 19 . 16 1 1 A 9 9 GLY C C 9 174.001 171.289 2.712 1
1 20 . 16 1 1 A 10 10 GLU N N 10 120.420 120.744 -0.324 1
1 21 . 16 1 1 A 10 10 GLU H H 10 8.230 8.683 -0.453 1
1 22 . 16 1 1 A 10 10 GLU CA C 10 56.759 56.167 0.592 1
1 23 . 16 1 1 A 10 10 GLU HA H 10 4.223 4.969 -0.746 1
1 24 . 16 1 1 A 10 10 GLU CB C 10 30.471 32.641 -2.170 1
1 30 . 16 1 1 A 10 10 GLU C C 10 176.269 174.582 1.687 1
1 31 . 16 1 1 A 11 11 LYS N N 11 122.538 125.665 -3.127 1
1 32 . 16 1 1 A 11 11 LYS H H 11 8.294 8.558 -0.264 1
1 33 . 16 1 1 A 11 11 LYS CA C 11 53.942 53.276 0.666 1
1 34 . 16 1 1 A 11 11 LYS HA H 11 4.522 4.722 -0.200 1
1 35 . 16 1 1 A 11 11 LYS CB C 11 32.707 33.300 -0.593 1
1 47 . 16 1 1 A 11 11 LYS C C 11 174.065 176.403 -2.338 1
1 48 . 16 1 1 A 12 12 PRO CA C 12 63.244 64.944 -1.700 1
1 49 . 16 1 1 A 12 12 PRO HA H 12 4.306 4.237 0.069 1
1 50 . 16 1 1 A 12 12 PRO CB C 12 32.290 31.543 0.747 1
1 59 . 16 1 1 A 12 12 PRO C C 12 176.129 175.935 0.194 1
1 60 . 16 1 1 A 13 13 TYR N N 13 118.690 117.788 0.902 1
1 61 . 16 1 1 A 13 13 TYR H H 13 8.094 7.296 0.798 1
1 62 . 16 1 1 A 13 13 TYR CA C 13 57.656 57.369 0.287 1
1 63 . 16 1 1 A 13 13 TYR HA H 13 4.596 5.189 -0.593 1
1 64 . 16 1 1 A 13 13 TYR CB C 13 38.758 41.233 -2.475 1
1 75 . 16 1 1 A 13 13 TYR C C 13 174.523 174.539 -0.016 1
1 76 . 16 1 1 A 14 14 GLU N N 14 124.311 123.432 0.879 1
1 77 . 16 1 1 A 14 14 GLU H H 14 8.612 8.993 -0.381 1
1 78 . 16 1 1 A 14 14 GLU CA C 14 54.972 55.060 -0.088 1
1 79 . 16 1 1 A 14 14 GLU HA H 14 4.858 5.042 -0.184 1
1 80 . 16 1 1 A 14 14 GLU CB C 14 33.017 33.731 -0.714 1
1 86 . 16 1 1 A 14 14 GLU C C 14 175.370 174.677 0.693 1
1 87 . 16 1 1 A 15 15 CYS N N 15 126.829 124.968 1.861 1
1 88 . 16 1 1 A 15 15 CYS H H 15 9.299 8.955 0.344 1
1 89 . 16 1 1 A 15 15 CYS CA C 15 59.489 58.401 1.088 1
1 90 . 16 1 1 A 15 15 CYS HA H 15 4.615 4.752 -0.137 1
1 91 . 16 1 1 A 15 15 CYS CB C 15 29.588 28.551 1.037 1
1 94 . 16 1 1 A 15 15 CYS C C 15 177.251 176.025 1.226 1
1 95 . 16 1 1 A 16 16 SER CA C 16 60.823 58.344 2.479 1
1 96 . 16 1 1 A 16 16 SER HA H 16 4.324 4.677 -0.353 1
1 97 . 16 1 1 A 16 16 SER CB C 16 63.099 63.201 -0.102 1
1 100 . 16 1 1 A 16 16 SER C C 16 174.225 175.348 -1.123 1
1 101 . 16 1 1 A 17 17 ILE N N 17 123.696 121.225 2.471 1
1 102 . 16 1 1 A 17 17 ILE H H 17 8.607 7.671 0.936 1
1 103 . 16 1 1 A 17 17 ILE CA C 17 63.401 62.488 0.913 1
1 104 . 16 1 1 A 17 17 ILE HA H 17 3.927 4.101 -0.174 1
1 105 . 16 1 1 A 17 17 ILE CB C 17 38.358 38.942 -0.584 1
1 118 . 16 1 1 A 17 17 ILE C C 17 176.969 177.525 -0.556 1
1 119 . 16 1 1 A 18 18 CYS N N 18 115.697 115.820 -0.123 1
1 120 . 16 1 1 A 18 18 CYS H H 18 8.021 8.062 -0.041 1
1 121 . 16 1 1 A 18 18 CYS CA C 18 58.229 59.535 -1.306 1
1 122 . 16 1 1 A 18 18 CYS HA H 18 5.203 4.570 0.633 1
1 123 . 16 1 1 A 18 18 CYS CB C 18 32.739 29.529 3.210 1
1 126 . 16 1 1 A 18 18 CYS C C 18 176.506 175.159 1.347 1
1 127 . 16 1 1 A 19 19 GLY N N 19 113.451 109.826 3.625 1
1 128 . 16 1 1 A 19 19 GLY H H 19 8.148 7.998 0.150 1
1 129 . 16 1 1 A 19 19 GLY CA C 19 46.236 45.033 1.203 1
1 130 . 16 1 1 A 19 19 GLY HA2 H 19 3.894 4.081 -0.187 1
1 131 . 16 1 1 A 19 19 GLY HA3 H 19 4.247 4.087 0.160 1
1 132 . 16 1 1 A 19 19 GLY C C 19 173.836 174.495 -0.659 1
1 133 . 16 1 1 A 20 20 LYS N N 20 122.918 120.679 2.239 1
1 134 . 16 1 1 A 20 20 LYS H H 20 7.971 7.820 0.151 1
1 135 . 16 1 1 A 20 20 LYS CA C 20 57.991 55.829 2.162 1
1 136 . 16 1 1 A 20 20 LYS HA H 20 4.043 4.417 -0.374 1
1 137 . 16 1 1 A 20 20 LYS CB C 20 33.587 34.094 -0.507 1
1 149 . 16 1 1 A 20 20 LYS C C 20 174.295 175.007 -0.712 1
1 150 . 16 1 1 A 21 21 SER N N 21 115.357 114.699 0.658 1
1 151 . 16 1 1 A 21 21 SER H H 21 7.819 7.961 -0.142 1
1 152 . 16 1 1 A 21 21 SER CA C 21 56.697 57.276 -0.579 1
1 153 . 16 1 1 A 21 21 SER HA H 21 5.301 4.957 0.344 1
1 154 . 16 1 1 A 21 21 SER CB C 21 66.038 67.077 -1.039 1
1 157 . 16 1 1 A 21 21 SER C C 21 173.121 172.210 0.911 1
1 158 . 16 1 1 A 22 22 PHE N N 22 118.204 121.410 -3.206 1
1 159 . 16 1 1 A 22 22 PHE H H 22 8.662 9.197 -0.535 1
1 160 . 16 1 1 A 22 22 PHE CA C 22 57.284 56.356 0.928 1
1 161 . 16 1 1 A 22 22 PHE HA H 22 4.810 4.942 -0.132 1
1 162 . 16 1 1 A 22 22 PHE CB C 22 43.860 43.550 0.310 1
1 175 . 16 1 1 A 22 22 PHE C C 22 175.380 174.815 0.565 1
1 176 . 16 1 1 A 23 23 THR N N 23 114.460 113.058 1.402 1
1 177 . 16 1 1 A 23 23 THR H H 23 8.904 8.660 0.244 1
1 178 . 16 1 1 A 23 23 THR CA C 23 64.664 61.643 3.021 1
1 179 . 16 1 1 A 23 23 THR HA H 23 4.429 4.892 -0.463 1
1 180 . 16 1 1 A 23 23 THR CB C 23 69.577 69.146 0.431 1
1 186 . 16 1 1 A 23 23 THR C C 23 174.705 174.042 0.663 1
1 187 . 16 1 1 A 24 24 LYS N N 24 117.025 120.840 -3.815 1
1 188 . 16 1 1 A 24 24 LYS H H 24 7.637 7.504 0.133 1
1 189 . 16 1 1 A 24 24 LYS CA C 24 54.289 54.600 -0.311 1
1 190 . 16 1 1 A 24 24 LYS HA H 24 4.858 4.453 0.405 1
1 191 . 16 1 1 A 24 24 LYS CB C 24 35.986 34.523 1.463 1
1 203 . 16 1 1 A 24 24 LYS C C 24 176.551 175.891 0.660 1
1 204 . 16 1 1 A 25 25 LYS N N 25 127.352 126.693 0.659 1
1 205 . 16 1 1 A 25 25 LYS H H 25 8.516 8.061 0.455 1
1 206 . 16 1 1 A 25 25 LYS CA C 25 59.682 59.270 0.412 1
1 207 . 16 1 1 A 25 25 LYS HA H 25 2.925 2.996 -0.071 1
1 208 . 16 1 1 A 25 25 LYS CB C 25 31.703 31.871 -0.168 1
1 220 . 16 1 1 A 25 25 LYS C C 25 178.182 177.364 0.818 1
1 221 . 16 1 1 A 26 26 SER CA C 26 60.759 61.464 -0.705 1
1 222 . 16 1 1 A 26 26 SER HA H 26 4.015 4.112 -0.097 1
1 223 . 16 1 1 A 26 26 SER CB C 26 61.414 62.817 -1.403 1
1 226 . 16 1 1 A 26 26 SER C C 26 176.943 177.234 -0.291 1
1 227 . 16 1 1 A 27 27 GLN N N 27 120.004 121.657 -1.653 1
1 228 . 16 1 1 A 27 27 GLN H H 27 6.690 7.765 -1.075 1
1 229 . 16 1 1 A 27 27 GLN CA C 27 57.577 58.910 -1.333 1
1 230 . 16 1 1 A 27 27 GLN HA H 27 3.973 3.865 0.108 1
1 231 . 16 1 1 A 27 27 GLN CB C 27 28.433 28.003 0.430 1
1 240 . 16 1 1 A 27 27 GLN C C 27 178.831 177.988 0.843 1
1 241 . 16 1 1 A 28 28 LEU N N 28 121.687 121.454 0.233 1
1 242 . 16 1 1 A 28 28 LEU H H 28 6.973 7.591 -0.618 1
1 243 . 16 1 1 A 28 28 LEU CA C 28 57.775 57.660 0.115 1
1 244 . 16 1 1 A 28 28 LEU HA H 28 3.277 3.081 0.196 1
1 245 . 16 1 1 A 28 28 LEU CB C 28 40.177 41.389 -1.212 1
1 258 . 16 1 1 A 28 28 LEU C C 28 177.514 178.340 -0.826 1
1 259 . 16 1 1 A 29 29 HIS N N 29 118.184 117.975 0.209 1
1 260 . 16 1 1 A 29 29 HIS H H 29 8.049 7.892 0.157 1
1 261 . 16 1 1 A 29 29 HIS CA C 29 59.106 59.130 -0.024 1
1 262 . 16 1 1 A 29 29 HIS HA H 29 4.409 4.196 0.213 1
1 263 . 16 1 1 A 29 29 HIS CB C 29 30.059 29.989 0.070 1
1 270 . 16 1 1 A 29 29 HIS C C 29 178.350 177.716 0.634 1
1 271 . 16 1 1 A 30 30 VAL N N 30 118.277 119.056 -0.779 1
1 272 . 16 1 1 A 30 30 VAL H H 30 7.513 7.787 -0.274 1
1 273 . 16 1 1 A 30 30 VAL CA C 30 66.146 66.390 -0.244 1
1 274 . 16 1 1 A 30 30 VAL HA H 30 3.665 3.414 0.251 1
1 275 . 16 1 1 A 30 30 VAL CB C 30 32.158 31.379 0.779 1
1 285 . 16 1 1 A 30 30 VAL C C 30 178.807 178.073 0.734 1
1 286 . 16 1 1 A 31 31 HIS N N 31 119.980 119.684 0.296 1
1 287 . 16 1 1 A 31 31 HIS H H 31 7.606 7.987 -0.381 1
1 288 . 16 1 1 A 31 31 HIS CA C 31 59.357 59.897 -0.540 1
1 289 . 16 1 1 A 31 31 HIS HA H 31 4.165 4.046 0.119 1
1 290 . 16 1 1 A 31 31 HIS CB C 31 28.519 29.425 -0.906 1
1 297 . 16 1 1 A 31 31 HIS C C 31 176.287 176.585 -0.298 1
1 298 . 16 1 1 A 32 32 GLN N N 32 114.428 117.150 -2.722 1
1 299 . 16 1 1 A 32 32 GLN H H 32 8.425 8.312 0.113 1
1 300 . 16 1 1 A 32 32 GLN CA C 32 59.301 59.453 -0.152 1
1 301 . 16 1 1 A 32 32 GLN HA H 32 3.688 3.867 -0.179 1
1 302 . 16 1 1 A 32 32 GLN CB C 32 28.202 28.257 -0.055 1
1 311 . 16 1 1 A 32 32 GLN C C 32 177.554 178.390 -0.836 1
1 312 . 16 1 1 A 33 33 GLN N N 33 117.108 118.485 -1.377 1
1 313 . 16 1 1 A 33 33 GLN H H 33 7.239 7.811 -0.572 1
1 314 . 16 1 1 A 33 33 GLN CA C 33 57.802 59.089 -1.287 1
1 315 . 16 1 1 A 33 33 GLN HA H 33 4.073 3.883 0.190 1
1 316 . 16 1 1 A 33 33 GLN CB C 33 28.374 27.987 0.387 1
1 325 . 16 1 1 A 33 33 GLN C C 33 178.214 178.579 -0.365 1
1 326 . 16 1 1 A 34 34 ILE N N 34 116.246 120.808 -4.562 1
1 327 . 16 1 1 A 34 34 ILE H H 34 7.802 8.001 -0.199 1
1 328 . 16 1 1 A 34 34 ILE CA C 34 63.058 63.073 -0.015 1
1 329 . 16 1 1 A 34 34 ILE HA H 34 3.997 3.686 0.311 1
1 330 . 16 1 1 A 34 34 ILE CB C 34 37.744 37.484 0.260 1
1 343 . 16 1 1 A 34 34 ILE C C 34 177.303 176.760 0.543 1
1 344 . 16 1 1 A 35 35 HIS N N 35 117.300 118.037 -0.737 1
1 345 . 16 1 1 A 35 35 HIS H H 35 7.168 7.801 -0.633 1
1 346 . 16 1 1 A 35 35 HIS CA C 35 55.082 54.941 0.141 1
1 347 . 16 1 1 A 35 35 HIS HA H 35 4.902 4.649 0.253 1
1 348 . 16 1 1 A 35 35 HIS CB C 35 28.700 28.704 -0.004 1
1 355 . 16 1 1 A 35 35 HIS C C 35 175.645 174.336 1.309 1
1 356 . 16 1 1 A 36 36 THR N N 36 112.636 114.299 -1.663 1
1 357 . 16 1 1 A 36 36 THR H H 36 7.742 7.668 0.074 1
1 358 . 16 1 1 A 36 36 THR CA C 36 62.837 60.620 2.217 1
1 359 . 16 1 1 A 36 36 THR HA H 36 4.303 4.581 -0.278 1
1 360 . 16 1 1 A 36 36 THR CB C 36 69.713 71.174 -1.461 1
1 366 . 16 1 1 A 36 36 THR C C 36 175.349 172.912 2.437 1
1 367 . 16 1 1 A 37 37 GLY N N 37 110.952 113.544 -2.592 1
1 368 . 16 1 1 A 37 37 GLY H H 37 8.329 8.483 -0.154 1
1 369 . 16 1 1 A 37 37 GLY CA C 37 45.353 44.424 0.929 1
1 370 . 16 1 1 A 37 37 GLY HA2 H 37 4.000 4.172 -0.172 1
1 371 . 16 1 1 A 37 37 GLY HA3 H 37 4.000 4.177 -0.177 1
1 372 . 16 1 1 A 37 37 GLY C C 37 174.021 173.989 0.032 1
1 373 . 16 1 1 A 38 38 GLU N N 38 120.547 123.591 -3.044 1
1 374 . 16 1 1 A 38 38 GLU H H 38 8.063 9.171 -1.108 1
1 375 . 16 1 1 A 38 38 GLU CA C 38 56.431 57.275 -0.844 1
1 376 . 16 1 1 A 38 38 GLU HA H 38 4.270 4.024 0.246 1
1 377 . 16 1 1 A 38 38 GLU CB C 38 30.563 28.327 2.236 1
1 383 . 16 1 1 A 38 38 GLU C C 38 176.207 176.295 -0.088 1
1 384 . 16 1 1 A 39 39 LYS N N 39 123.687 121.350 2.337 1
1 385 . 16 1 1 A 39 39 LYS H H 39 8.412 7.788 0.624 1
1 386 . 16 1 1 A 39 39 LYS CA C 39 54.062 54.337 -0.275 1
1 387 . 16 1 1 A 39 39 LYS HA H 39 4.621 4.406 0.215 1
1 388 . 16 1 1 A 39 39 LYS CB C 39 32.571 33.406 -0.835 1
1 400 . 16 1 1 A 39 39 LYS C C 39 174.427 175.201 -0.774 1
1 401 . 16 1 1 A 40 40 PRO CA C 40 63.207 62.579 0.628 1
1 402 . 16 1 1 A 40 40 PRO HA H 40 4.475 4.731 -0.256 1
1 403 . 16 1 1 A 40 40 PRO CB C 40 32.205 31.124 1.081 1
1 412 . 16 1 1 A 41 41 SER N N 41 116.537 119.737 -3.200 1
1 413 . 16 1 1 A 41 41 SER H H 41 8.491 8.642 -0.151 1
1 414 . 16 1 1 A 42 42 GLY CA C 42 44.661 44.609 0.052 1
1 415 . 16 1 1 A 42 42 GLY HA2 H 42 4.174 4.077 0.097 1
1 416 . 16 1 1 A 42 42 GLY HA3 H 42 4.114 4.077 0.037 1
1 417 . 16 1 1 A 43 43 PRO CA C 43 63.206 62.764 0.442 1
1 418 . 16 1 1 A 43 43 PRO HA H 43 4.479 4.645 -0.166 1
1 419 . 16 1 1 A 43 43 PRO CB C 43 32.187 31.614 0.573 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.470 45.431 0.039 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 4.008 4.018 -0.010 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 4.008 4.020 -0.012 1
1 4 . 17 1 1 A 7 7 GLY C C 7 174.519 173.893 0.626 1
1 5 . 17 1 1 A 8 8 THR N N 8 112.809 111.871 0.938 1
1 6 . 17 1 1 A 8 8 THR H H 8 8.167 7.676 0.491 1
1 7 . 17 1 1 A 8 8 THR CA C 8 61.860 59.595 2.265 1
1 8 . 17 1 1 A 8 8 THR HA H 8 4.388 4.841 -0.453 1
1 9 . 17 1 1 A 8 8 THR CB C 8 69.699 71.970 -2.271 1
1 15 . 17 1 1 A 8 8 THR C C 8 175.277 173.793 1.484 1
1 16 . 17 1 1 A 9 9 GLY CA C 9 45.306 45.241 0.065 1
1 17 . 17 1 1 A 9 9 GLY HA2 H 9 3.979 4.133 -0.154 1
1 18 . 17 1 1 A 9 9 GLY HA3 H 9 3.938 4.139 -0.201 1
1 19 . 17 1 1 A 9 9 GLY C C 9 174.001 174.240 -0.239 1
1 20 . 17 1 1 A 10 10 GLU N N 10 120.420 121.591 -1.171 1
1 21 . 17 1 1 A 10 10 GLU H H 10 8.230 8.160 0.070 1
1 22 . 17 1 1 A 10 10 GLU CA C 10 56.759 55.396 1.363 1
1 23 . 17 1 1 A 10 10 GLU HA H 10 4.223 4.435 -0.212 1
1 24 . 17 1 1 A 10 10 GLU CB C 10 30.471 29.578 0.893 1
1 30 . 17 1 1 A 10 10 GLU C C 10 176.269 176.541 -0.272 1
1 31 . 17 1 1 A 11 11 LYS N N 11 122.538 121.324 1.214 1
1 32 . 17 1 1 A 11 11 LYS H H 11 8.294 7.267 1.027 1
1 33 . 17 1 1 A 11 11 LYS CA C 11 53.942 54.331 -0.389 1
1 34 . 17 1 1 A 11 11 LYS HA H 11 4.522 4.430 0.092 1
1 35 . 17 1 1 A 11 11 LYS CB C 11 32.707 31.608 1.099 1
1 47 . 17 1 1 A 11 11 LYS C C 11 174.065 176.556 -2.491 1
1 48 . 17 1 1 A 12 12 PRO CA C 12 63.244 64.901 -1.657 1
1 49 . 17 1 1 A 12 12 PRO HA H 12 4.306 4.214 0.092 1
1 50 . 17 1 1 A 12 12 PRO CB C 12 32.290 31.630 0.660 1
1 59 . 17 1 1 A 12 12 PRO C C 12 176.129 175.838 0.291 1
1 60 . 17 1 1 A 13 13 TYR N N 13 118.690 118.182 0.508 1
1 61 . 17 1 1 A 13 13 TYR H H 13 8.094 7.137 0.957 1
1 62 . 17 1 1 A 13 13 TYR CA C 13 57.656 57.156 0.500 1
1 63 . 17 1 1 A 13 13 TYR HA H 13 4.596 5.328 -0.732 1
1 64 . 17 1 1 A 13 13 TYR CB C 13 38.758 41.352 -2.594 1
1 75 . 17 1 1 A 13 13 TYR C C 13 174.523 174.569 -0.046 1
1 76 . 17 1 1 A 14 14 GLU N N 14 124.311 121.588 2.723 1
1 77 . 17 1 1 A 14 14 GLU H H 14 8.612 8.939 -0.327 1
1 78 . 17 1 1 A 14 14 GLU CA C 14 54.972 55.647 -0.675 1
1 79 . 17 1 1 A 14 14 GLU HA H 14 4.858 4.999 -0.141 1
1 80 . 17 1 1 A 14 14 GLU CB C 14 33.017 34.191 -1.174 1
1 86 . 17 1 1 A 14 14 GLU C C 14 175.370 174.529 0.841 1
1 87 . 17 1 1 A 15 15 CYS N N 15 126.829 124.372 2.457 1
1 88 . 17 1 1 A 15 15 CYS H H 15 9.299 9.170 0.129 1
1 89 . 17 1 1 A 15 15 CYS CA C 15 59.489 57.752 1.737 1
1 90 . 17 1 1 A 15 15 CYS HA H 15 4.615 4.977 -0.362 1
1 91 . 17 1 1 A 15 15 CYS CB C 15 29.588 29.469 0.119 1
1 94 . 17 1 1 A 15 15 CYS C C 15 177.251 175.717 1.534 1
1 95 . 17 1 1 A 16 16 SER CA C 16 60.823 58.403 2.420 1
1 96 . 17 1 1 A 16 16 SER HA H 16 4.324 4.653 -0.329 1
1 97 . 17 1 1 A 16 16 SER CB C 16 63.099 63.076 0.023 1
1 100 . 17 1 1 A 16 16 SER C C 16 174.225 175.352 -1.127 1
1 101 . 17 1 1 A 17 17 ILE N N 17 123.696 121.113 2.583 1
1 102 . 17 1 1 A 17 17 ILE H H 17 8.607 7.724 0.883 1
1 103 . 17 1 1 A 17 17 ILE CA C 17 63.401 62.467 0.934 1
1 104 . 17 1 1 A 17 17 ILE HA H 17 3.927 4.114 -0.187 1
1 105 . 17 1 1 A 17 17 ILE CB C 17 38.358 38.957 -0.599 1
1 118 . 17 1 1 A 17 17 ILE C C 17 176.969 177.502 -0.533 1
1 119 . 17 1 1 A 18 18 CYS N N 18 115.697 115.779 -0.082 1
1 120 . 17 1 1 A 18 18 CYS H H 18 8.021 8.182 -0.161 1
1 121 . 17 1 1 A 18 18 CYS CA C 18 58.229 59.641 -1.412 1
1 122 . 17 1 1 A 18 18 CYS HA H 18 5.203 4.625 0.578 1
1 123 . 17 1 1 A 18 18 CYS CB C 18 32.739 29.640 3.099 1
1 126 . 17 1 1 A 18 18 CYS C C 18 176.506 175.146 1.360 1
1 127 . 17 1 1 A 19 19 GLY N N 19 113.451 109.584 3.867 1
1 128 . 17 1 1 A 19 19 GLY H H 19 8.148 7.989 0.159 1
1 129 . 17 1 1 A 19 19 GLY CA C 19 46.236 45.491 0.745 1
1 130 . 17 1 1 A 19 19 GLY HA2 H 19 3.894 4.089 -0.195 1
1 131 . 17 1 1 A 19 19 GLY HA3 H 19 4.247 4.101 0.146 1
1 132 . 17 1 1 A 19 19 GLY C C 19 173.836 173.976 -0.140 1
1 133 . 17 1 1 A 20 20 LYS N N 20 122.918 119.437 3.481 1
1 134 . 17 1 1 A 20 20 LYS H H 20 7.971 7.892 0.079 1
1 135 . 17 1 1 A 20 20 LYS CA C 20 57.991 54.085 3.906 1
1 136 . 17 1 1 A 20 20 LYS HA H 20 4.043 4.787 -0.744 1
1 137 . 17 1 1 A 20 20 LYS CB C 20 33.587 35.236 -1.649 1
1 149 . 17 1 1 A 20 20 LYS C C 20 174.295 175.172 -0.877 1
1 150 . 17 1 1 A 21 21 SER N N 21 115.357 112.940 2.417 1
1 151 . 17 1 1 A 21 21 SER H H 21 7.819 8.638 -0.819 1
1 152 . 17 1 1 A 21 21 SER CA C 21 56.697 56.460 0.237 1
1 153 . 17 1 1 A 21 21 SER HA H 21 5.301 5.385 -0.084 1
1 154 . 17 1 1 A 21 21 SER CB C 21 66.038 65.712 0.326 1
1 157 . 17 1 1 A 21 21 SER C C 21 173.121 173.030 0.091 1
1 158 . 17 1 1 A 22 22 PHE N N 22 118.204 119.688 -1.484 1
1 159 . 17 1 1 A 22 22 PHE H H 22 8.662 8.629 0.033 1
1 160 . 17 1 1 A 22 22 PHE CA C 22 57.284 56.758 0.526 1
1 161 . 17 1 1 A 22 22 PHE HA H 22 4.810 4.941 -0.131 1
1 162 . 17 1 1 A 22 22 PHE CB C 22 43.860 43.082 0.778 1
1 175 . 17 1 1 A 22 22 PHE C C 22 175.380 175.739 -0.359 1
1 176 . 17 1 1 A 23 23 THR N N 23 114.460 113.375 1.085 1
1 177 . 17 1 1 A 23 23 THR H H 23 8.904 8.812 0.092 1
1 178 . 17 1 1 A 23 23 THR CA C 23 64.664 62.236 2.428 1
1 179 . 17 1 1 A 23 23 THR HA H 23 4.429 4.696 -0.267 1
1 180 . 17 1 1 A 23 23 THR CB C 23 69.577 68.947 0.630 1
1 186 . 17 1 1 A 23 23 THR C C 23 174.705 174.106 0.599 1
1 187 . 17 1 1 A 24 24 LYS N N 24 117.025 120.863 -3.838 1
1 188 . 17 1 1 A 24 24 LYS H H 24 7.637 7.589 0.048 1
1 189 . 17 1 1 A 24 24 LYS CA C 24 54.289 54.760 -0.471 1
1 190 . 17 1 1 A 24 24 LYS HA H 24 4.858 4.548 0.310 1
1 191 . 17 1 1 A 24 24 LYS CB C 24 35.986 34.947 1.039 1
1 203 . 17 1 1 A 24 24 LYS C C 24 176.551 176.276 0.275 1
1 204 . 17 1 1 A 25 25 LYS N N 25 127.352 126.808 0.544 1
1 205 . 17 1 1 A 25 25 LYS H H 25 8.516 8.254 0.262 1
1 206 . 17 1 1 A 25 25 LYS CA C 25 59.682 59.513 0.169 1
1 207 . 17 1 1 A 25 25 LYS HA H 25 2.925 2.987 -0.062 1
1 208 . 17 1 1 A 25 25 LYS CB C 25 31.703 31.689 0.014 1
1 220 . 17 1 1 A 25 25 LYS C C 25 178.182 177.573 0.609 1
1 221 . 17 1 1 A 26 26 SER CA C 26 60.759 61.696 -0.937 1
1 222 . 17 1 1 A 26 26 SER HA H 26 4.015 3.867 0.148 1
1 223 . 17 1 1 A 26 26 SER CB C 26 61.414 62.683 -1.269 1
1 226 . 17 1 1 A 26 26 SER C C 26 176.943 176.679 0.264 1
1 227 . 17 1 1 A 27 27 GLN N N 27 120.004 121.122 -1.118 1
1 228 . 17 1 1 A 27 27 GLN H H 27 6.690 7.712 -1.022 1
1 229 . 17 1 1 A 27 27 GLN CA C 27 57.577 58.976 -1.399 1
1 230 . 17 1 1 A 27 27 GLN HA H 27 3.973 3.900 0.073 1
1 231 . 17 1 1 A 27 27 GLN CB C 27 28.433 28.020 0.413 1
1 240 . 17 1 1 A 27 27 GLN C C 27 178.831 178.155 0.676 1
1 241 . 17 1 1 A 28 28 LEU N N 28 121.687 121.389 0.298 1
1 242 . 17 1 1 A 28 28 LEU H H 28 6.973 7.636 -0.663 1
1 243 . 17 1 1 A 28 28 LEU CA C 28 57.775 57.680 0.095 1
1 244 . 17 1 1 A 28 28 LEU HA H 28 3.277 3.030 0.247 1
1 245 . 17 1 1 A 28 28 LEU CB C 28 40.177 41.822 -1.645 1
1 258 . 17 1 1 A 28 28 LEU C C 28 177.514 178.444 -0.930 1
1 259 . 17 1 1 A 29 29 HIS N N 29 118.184 118.006 0.178 1
1 260 . 17 1 1 A 29 29 HIS H H 29 8.049 8.115 -0.066 1
1 261 . 17 1 1 A 29 29 HIS CA C 29 59.106 59.263 -0.157 1
1 262 . 17 1 1 A 29 29 HIS HA H 29 4.409 4.152 0.257 1
1 263 . 17 1 1 A 29 29 HIS CB C 29 30.059 30.080 -0.021 1
1 270 . 17 1 1 A 29 29 HIS C C 29 178.350 177.675 0.675 1
1 271 . 17 1 1 A 30 30 VAL N N 30 118.277 118.977 -0.700 1
1 272 . 17 1 1 A 30 30 VAL H H 30 7.513 8.075 -0.562 1
1 273 . 17 1 1 A 30 30 VAL CA C 30 66.146 66.496 -0.350 1
1 274 . 17 1 1 A 30 30 VAL HA H 30 3.665 3.405 0.260 1
1 275 . 17 1 1 A 30 30 VAL CB C 30 32.158 31.466 0.692 1
1 285 . 17 1 1 A 30 30 VAL C C 30 178.807 177.924 0.883 1
1 286 . 17 1 1 A 31 31 HIS N N 31 119.980 119.272 0.708 1
1 287 . 17 1 1 A 31 31 HIS H H 31 7.606 8.015 -0.409 1
1 288 . 17 1 1 A 31 31 HIS CA C 31 59.357 60.080 -0.723 1
1 289 . 17 1 1 A 31 31 HIS HA H 31 4.165 4.060 0.105 1
1 290 . 17 1 1 A 31 31 HIS CB C 31 28.519 28.973 -0.454 1
1 297 . 17 1 1 A 31 31 HIS C C 31 176.287 176.740 -0.453 1
1 298 . 17 1 1 A 32 32 GLN N N 32 114.428 117.228 -2.800 1
1 299 . 17 1 1 A 32 32 GLN H H 32 8.425 8.012 0.413 1
1 300 . 17 1 1 A 32 32 GLN CA C 32 59.301 59.175 0.126 1
1 301 . 17 1 1 A 32 32 GLN HA H 32 3.688 3.698 -0.010 1
1 302 . 17 1 1 A 32 32 GLN CB C 32 28.202 28.079 0.123 1
1 311 . 17 1 1 A 32 32 GLN C C 32 177.554 178.478 -0.924 1
1 312 . 17 1 1 A 33 33 GLN N N 33 117.108 119.027 -1.919 1
1 313 . 17 1 1 A 33 33 GLN H H 33 7.239 7.658 -0.419 1
1 314 . 17 1 1 A 33 33 GLN CA C 33 57.802 58.805 -1.003 1
1 315 . 17 1 1 A 33 33 GLN HA H 33 4.073 3.917 0.156 1
1 316 . 17 1 1 A 33 33 GLN CB C 33 28.374 28.259 0.115 1
1 325 . 17 1 1 A 33 33 GLN C C 33 178.214 178.729 -0.515 1
1 326 . 17 1 1 A 34 34 ILE N N 34 116.246 120.155 -3.909 1
1 327 . 17 1 1 A 34 34 ILE H H 34 7.802 8.017 -0.215 1
1 328 . 17 1 1 A 34 34 ILE CA C 34 63.058 63.537 -0.479 1
1 329 . 17 1 1 A 34 34 ILE HA H 34 3.997 3.731 0.266 1
1 330 . 17 1 1 A 34 34 ILE CB C 34 37.744 37.547 0.197 1
1 343 . 17 1 1 A 34 34 ILE C C 34 177.303 177.589 -0.286 1
1 344 . 17 1 1 A 35 35 HIS N N 35 117.300 118.155 -0.855 1
1 345 . 17 1 1 A 35 35 HIS H H 35 7.168 7.420 -0.252 1
1 346 . 17 1 1 A 35 35 HIS CA C 35 55.082 58.628 -3.546 1
1 347 . 17 1 1 A 35 35 HIS HA H 35 4.902 4.409 0.493 1
1 348 . 17 1 1 A 35 35 HIS CB C 35 28.700 30.350 -1.650 1
1 355 . 17 1 1 A 35 35 HIS C C 35 175.645 176.371 -0.726 1
1 356 . 17 1 1 A 36 36 THR N N 36 112.636 112.219 0.417 1
1 357 . 17 1 1 A 36 36 THR H H 36 7.742 7.529 0.213 1
1 358 . 17 1 1 A 36 36 THR CA C 36 62.837 63.689 -0.852 1
1 359 . 17 1 1 A 36 36 THR HA H 36 4.303 3.887 0.416 1
1 360 . 17 1 1 A 36 36 THR CB C 36 69.713 68.617 1.096 1
1 366 . 17 1 1 A 36 36 THR C C 36 175.349 175.380 -0.031 1
1 367 . 17 1 1 A 37 37 GLY N N 37 110.952 116.046 -5.094 1
1 368 . 17 1 1 A 37 37 GLY H H 37 8.329 8.706 -0.377 1
1 369 . 17 1 1 A 37 37 GLY CA C 37 45.353 45.684 -0.331 1
1 370 . 17 1 1 A 37 37 GLY HA2 H 37 4.000 4.033 -0.033 1
1 371 . 17 1 1 A 37 37 GLY HA3 H 37 4.000 4.033 -0.033 1
1 372 . 17 1 1 A 37 37 GLY C C 37 174.021 172.996 1.025 1
1 373 . 17 1 1 A 38 38 GLU N N 38 120.547 120.408 0.139 1
1 374 . 17 1 1 A 38 38 GLU H H 38 8.063 8.156 -0.093 1
1 375 . 17 1 1 A 38 38 GLU CA C 38 56.431 54.861 1.570 1
1 376 . 17 1 1 A 38 38 GLU HA H 38 4.270 5.033 -0.763 1
1 377 . 17 1 1 A 38 38 GLU CB C 38 30.563 31.692 -1.129 1
1 383 . 17 1 1 A 38 38 GLU C C 38 176.207 175.403 0.804 1
1 384 . 17 1 1 A 39 39 LYS N N 39 123.687 122.442 1.245 1
1 385 . 17 1 1 A 39 39 LYS H H 39 8.412 8.846 -0.434 1
1 386 . 17 1 1 A 39 39 LYS CA C 39 54.062 53.894 0.168 1
1 387 . 17 1 1 A 39 39 LYS HA H 39 4.621 4.967 -0.346 1
1 388 . 17 1 1 A 39 39 LYS CB C 39 32.571 33.880 -1.309 1
1 400 . 17 1 1 A 39 39 LYS C C 39 174.427 174.967 -0.540 1
1 401 . 17 1 1 A 40 40 PRO CA C 40 63.207 62.644 0.563 1
1 402 . 17 1 1 A 40 40 PRO HA H 40 4.475 4.636 -0.161 1
1 403 . 17 1 1 A 40 40 PRO CB C 40 32.205 32.712 -0.507 1
1 412 . 17 1 1 A 41 41 SER N N 41 116.537 117.044 -0.507 1
1 413 . 17 1 1 A 41 41 SER H H 41 8.491 8.558 -0.067 1
1 414 . 17 1 1 A 42 42 GLY CA C 42 44.661 45.127 -0.466 1
1 415 . 17 1 1 A 42 42 GLY HA2 H 42 4.174 4.396 -0.222 1
1 416 . 17 1 1 A 42 42 GLY HA3 H 42 4.114 4.396 -0.282 1
1 417 . 17 1 1 A 43 43 PRO CA C 43 63.206 62.727 0.479 1
1 418 . 17 1 1 A 43 43 PRO HA H 43 4.479 4.588 -0.109 1
1 419 . 17 1 1 A 43 43 PRO CB C 43 32.187 32.713 -0.526 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.470 45.172 0.298 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 4.008 4.141 -0.133 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 4.008 4.142 -0.134 1
1 4 . 18 1 1 A 7 7 GLY C C 7 174.519 171.901 2.618 1
1 5 . 18 1 1 A 8 8 THR N N 8 112.809 118.944 -6.135 1
1 6 . 18 1 1 A 8 8 THR H H 8 8.167 8.587 -0.420 1
1 7 . 18 1 1 A 8 8 THR CA C 8 61.860 60.470 1.390 1
1 8 . 18 1 1 A 8 8 THR HA H 8 4.388 4.838 -0.450 1
1 9 . 18 1 1 A 8 8 THR CB C 8 69.699 71.174 -1.475 1
1 15 . 18 1 1 A 8 8 THR C C 8 175.277 174.735 0.542 1
1 16 . 18 1 1 A 9 9 GLY CA C 9 45.306 44.990 0.316 1
1 17 . 18 1 1 A 9 9 GLY HA2 H 9 3.979 4.122 -0.143 1
1 18 . 18 1 1 A 9 9 GLY HA3 H 9 3.938 4.124 -0.186 1
1 19 . 18 1 1 A 9 9 GLY C C 9 174.001 174.141 -0.140 1
1 20 . 18 1 1 A 10 10 GLU N N 10 120.420 123.245 -2.825 1
1 21 . 18 1 1 A 10 10 GLU H H 10 8.230 8.746 -0.516 1
1 22 . 18 1 1 A 10 10 GLU CA C 10 56.759 55.658 1.101 1
1 23 . 18 1 1 A 10 10 GLU HA H 10 4.223 4.449 -0.226 1
1 24 . 18 1 1 A 10 10 GLU CB C 10 30.471 28.249 2.222 1
1 30 . 18 1 1 A 10 10 GLU C C 10 176.269 174.656 1.613 1
1 31 . 18 1 1 A 11 11 LYS N N 11 122.538 121.939 0.599 1
1 32 . 18 1 1 A 11 11 LYS H H 11 8.294 7.434 0.860 1
1 33 . 18 1 1 A 11 11 LYS CA C 11 53.942 53.322 0.620 1
1 34 . 18 1 1 A 11 11 LYS HA H 11 4.522 4.757 -0.235 1
1 35 . 18 1 1 A 11 11 LYS CB C 11 32.707 33.535 -0.828 1
1 47 . 18 1 1 A 11 11 LYS C C 11 174.065 176.375 -2.310 1
1 48 . 18 1 1 A 12 12 PRO CA C 12 63.244 64.496 -1.252 1
1 49 . 18 1 1 A 12 12 PRO HA H 12 4.306 4.254 0.052 1
1 50 . 18 1 1 A 12 12 PRO CB C 12 32.290 31.729 0.561 1
1 59 . 18 1 1 A 12 12 PRO C C 12 176.129 175.663 0.466 1
1 60 . 18 1 1 A 13 13 TYR N N 13 118.690 118.207 0.483 1
1 61 . 18 1 1 A 13 13 TYR H H 13 8.094 7.264 0.830 1
1 62 . 18 1 1 A 13 13 TYR CA C 13 57.656 56.932 0.724 1
1 63 . 18 1 1 A 13 13 TYR HA H 13 4.596 5.339 -0.743 1
1 64 . 18 1 1 A 13 13 TYR CB C 13 38.758 41.755 -2.997 1
1 75 . 18 1 1 A 13 13 TYR C C 13 174.523 174.667 -0.144 1
1 76 . 18 1 1 A 14 14 GLU N N 14 124.311 123.345 0.966 1
1 77 . 18 1 1 A 14 14 GLU H H 14 8.612 9.036 -0.424 1
1 78 . 18 1 1 A 14 14 GLU CA C 14 54.972 55.321 -0.349 1
1 79 . 18 1 1 A 14 14 GLU HA H 14 4.858 5.203 -0.345 1
1 80 . 18 1 1 A 14 14 GLU CB C 14 33.017 33.571 -0.554 1
1 86 . 18 1 1 A 14 14 GLU C C 14 175.370 175.144 0.226 1
1 87 . 18 1 1 A 15 15 CYS N N 15 126.829 125.740 1.089 1
1 88 . 18 1 1 A 15 15 CYS H H 15 9.299 9.475 -0.176 1
1 89 . 18 1 1 A 15 15 CYS CA C 15 59.489 59.853 -0.364 1
1 90 . 18 1 1 A 15 15 CYS HA H 15 4.615 4.671 -0.056 1
1 91 . 18 1 1 A 15 15 CYS CB C 15 29.588 28.623 0.965 1
1 94 . 18 1 1 A 15 15 CYS C C 15 177.251 176.650 0.601 1
1 95 . 18 1 1 A 16 16 SER CA C 16 60.823 59.699 1.124 1
1 96 . 18 1 1 A 16 16 SER HA H 16 4.324 4.319 0.005 1
1 97 . 18 1 1 A 16 16 SER CB C 16 63.099 63.991 -0.892 1
1 100 . 18 1 1 A 16 16 SER C C 16 174.225 176.501 -2.276 1
1 101 . 18 1 1 A 17 17 ILE N N 17 123.696 122.649 1.047 1
1 102 . 18 1 1 A 17 17 ILE H H 17 8.607 7.572 1.035 1
1 103 . 18 1 1 A 17 17 ILE CA C 17 63.401 65.012 -1.611 1
1 104 . 18 1 1 A 17 17 ILE HA H 17 3.927 3.460 0.467 1
1 105 . 18 1 1 A 17 17 ILE CB C 17 38.358 38.093 0.265 1
1 118 . 18 1 1 A 17 17 ILE C C 17 176.969 177.530 -0.561 1
1 119 . 18 1 1 A 18 18 CYS N N 18 115.697 115.669 0.028 1
1 120 . 18 1 1 A 18 18 CYS H H 18 8.021 7.398 0.623 1
1 121 . 18 1 1 A 18 18 CYS CA C 18 58.229 59.623 -1.394 1
1 122 . 18 1 1 A 18 18 CYS HA H 18 5.203 4.625 0.578 1
1 123 . 18 1 1 A 18 18 CYS CB C 18 32.739 29.602 3.137 1
1 126 . 18 1 1 A 18 18 CYS C C 18 176.506 175.339 1.167 1
1 127 . 18 1 1 A 19 19 GLY N N 19 113.451 110.096 3.355 1
1 128 . 18 1 1 A 19 19 GLY H H 19 8.148 8.051 0.097 1
1 129 . 18 1 1 A 19 19 GLY CA C 19 46.236 45.081 1.155 1
1 130 . 18 1 1 A 19 19 GLY HA2 H 19 3.894 4.089 -0.195 1
1 131 . 18 1 1 A 19 19 GLY HA3 H 19 4.247 4.101 0.146 1
1 132 . 18 1 1 A 19 19 GLY C C 19 173.836 174.672 -0.836 1
1 133 . 18 1 1 A 20 20 LYS N N 20 122.918 121.048 1.870 1
1 134 . 18 1 1 A 20 20 LYS H H 20 7.971 7.479 0.492 1
1 135 . 18 1 1 A 20 20 LYS CA C 20 57.991 56.556 1.435 1
1 136 . 18 1 1 A 20 20 LYS HA H 20 4.043 4.221 -0.178 1
1 137 . 18 1 1 A 20 20 LYS CB C 20 33.587 33.758 -0.171 1
1 149 . 18 1 1 A 20 20 LYS C C 20 174.295 175.374 -1.079 1
1 150 . 18 1 1 A 21 21 SER N N 21 115.357 112.618 2.739 1
1 151 . 18 1 1 A 21 21 SER H H 21 7.819 8.090 -0.271 1
1 152 . 18 1 1 A 21 21 SER CA C 21 56.697 56.574 0.123 1
1 153 . 18 1 1 A 21 21 SER HA H 21 5.301 5.522 -0.221 1
1 154 . 18 1 1 A 21 21 SER CB C 21 66.038 66.236 -0.198 1
1 157 . 18 1 1 A 21 21 SER C C 21 173.121 172.715 0.406 1
1 158 . 18 1 1 A 22 22 PHE N N 22 118.204 119.005 -0.801 1
1 159 . 18 1 1 A 22 22 PHE H H 22 8.662 9.252 -0.590 1
1 160 . 18 1 1 A 22 22 PHE CA C 22 57.284 56.238 1.046 1
1 161 . 18 1 1 A 22 22 PHE HA H 22 4.810 5.102 -0.292 1
1 162 . 18 1 1 A 22 22 PHE CB C 22 43.860 44.040 -0.180 1
1 175 . 18 1 1 A 22 22 PHE C C 22 175.380 174.612 0.768 1
1 176 . 18 1 1 A 23 23 THR N N 23 114.460 113.093 1.367 1
1 177 . 18 1 1 A 23 23 THR H H 23 8.904 8.688 0.216 1
1 178 . 18 1 1 A 23 23 THR CA C 23 64.664 61.251 3.413 1
1 179 . 18 1 1 A 23 23 THR HA H 23 4.429 5.067 -0.638 1
1 180 . 18 1 1 A 23 23 THR CB C 23 69.577 69.868 -0.291 1
1 186 . 18 1 1 A 23 23 THR C C 23 174.705 174.159 0.546 1
1 187 . 18 1 1 A 24 24 LYS N N 24 117.025 120.951 -3.926 1
1 188 . 18 1 1 A 24 24 LYS H H 24 7.637 7.449 0.188 1
1 189 . 18 1 1 A 24 24 LYS CA C 24 54.289 54.665 -0.376 1
1 190 . 18 1 1 A 24 24 LYS HA H 24 4.858 4.521 0.337 1
1 191 . 18 1 1 A 24 24 LYS CB C 24 35.986 34.477 1.509 1
1 203 . 18 1 1 A 24 24 LYS C C 24 176.551 176.209 0.342 1
1 204 . 18 1 1 A 25 25 LYS N N 25 127.352 125.479 1.873 1
1 205 . 18 1 1 A 25 25 LYS H H 25 8.516 8.506 0.010 1
1 206 . 18 1 1 A 25 25 LYS CA C 25 59.682 59.674 0.008 1
1 207 . 18 1 1 A 25 25 LYS HA H 25 2.925 3.175 -0.250 1
1 208 . 18 1 1 A 25 25 LYS CB C 25 31.703 31.812 -0.109 1
1 220 . 18 1 1 A 25 25 LYS C C 25 178.182 178.013 0.169 1
1 221 . 18 1 1 A 26 26 SER CA C 26 60.759 61.386 -0.627 1
1 222 . 18 1 1 A 26 26 SER HA H 26 4.015 3.859 0.156 1
1 223 . 18 1 1 A 26 26 SER CB C 26 61.414 62.878 -1.464 1
1 226 . 18 1 1 A 26 26 SER C C 26 176.943 177.199 -0.256 1
1 227 . 18 1 1 A 27 27 GLN N N 27 120.004 121.248 -1.244 1
1 228 . 18 1 1 A 27 27 GLN H H 27 6.690 7.728 -1.038 1
1 229 . 18 1 1 A 27 27 GLN CA C 27 57.577 58.902 -1.325 1
1 230 . 18 1 1 A 27 27 GLN HA H 27 3.973 3.889 0.084 1
1 231 . 18 1 1 A 27 27 GLN CB C 27 28.433 28.004 0.429 1
1 240 . 18 1 1 A 27 27 GLN C C 27 178.831 178.203 0.628 1
1 241 . 18 1 1 A 28 28 LEU N N 28 121.687 121.510 0.177 1
1 242 . 18 1 1 A 28 28 LEU H H 28 6.973 7.517 -0.544 1
1 243 . 18 1 1 A 28 28 LEU CA C 28 57.775 57.584 0.191 1
1 244 . 18 1 1 A 28 28 LEU HA H 28 3.277 3.007 0.270 1
1 245 . 18 1 1 A 28 28 LEU CB C 28 40.177 41.541 -1.364 1
1 258 . 18 1 1 A 28 28 LEU C C 28 177.514 178.297 -0.783 1
1 259 . 18 1 1 A 29 29 HIS N N 29 118.184 117.873 0.311 1
1 260 . 18 1 1 A 29 29 HIS H H 29 8.049 8.228 -0.179 1
1 261 . 18 1 1 A 29 29 HIS CA C 29 59.106 59.350 -0.244 1
1 262 . 18 1 1 A 29 29 HIS HA H 29 4.409 4.467 -0.058 1
1 263 . 18 1 1 A 29 29 HIS CB C 29 30.059 30.197 -0.138 1
1 270 . 18 1 1 A 29 29 HIS C C 29 178.350 177.767 0.583 1
1 271 . 18 1 1 A 30 30 VAL N N 30 118.277 118.913 -0.636 1
1 272 . 18 1 1 A 30 30 VAL H H 30 7.513 8.212 -0.699 1
1 273 . 18 1 1 A 30 30 VAL CA C 30 66.146 66.409 -0.263 1
1 274 . 18 1 1 A 30 30 VAL HA H 30 3.665 3.414 0.251 1
1 275 . 18 1 1 A 30 30 VAL CB C 30 32.158 31.420 0.738 1
1 285 . 18 1 1 A 30 30 VAL C C 30 178.807 178.000 0.807 1
1 286 . 18 1 1 A 31 31 HIS N N 31 119.980 119.692 0.288 1
1 287 . 18 1 1 A 31 31 HIS H H 31 7.606 8.157 -0.551 1
1 288 . 18 1 1 A 31 31 HIS CA C 31 59.357 59.888 -0.531 1
1 289 . 18 1 1 A 31 31 HIS HA H 31 4.165 4.087 0.078 1
1 290 . 18 1 1 A 31 31 HIS CB C 31 28.519 29.474 -0.955 1
1 297 . 18 1 1 A 31 31 HIS C C 31 176.287 176.567 -0.280 1
1 298 . 18 1 1 A 32 32 GLN N N 32 114.428 117.224 -2.796 1
1 299 . 18 1 1 A 32 32 GLN H H 32 8.425 8.245 0.180 1
1 300 . 18 1 1 A 32 32 GLN CA C 32 59.301 59.422 -0.121 1
1 301 . 18 1 1 A 32 32 GLN HA H 32 3.688 3.825 -0.137 1
1 302 . 18 1 1 A 32 32 GLN CB C 32 28.202 28.170 0.032 1
1 311 . 18 1 1 A 32 32 GLN C C 32 177.554 178.426 -0.872 1
1 312 . 18 1 1 A 33 33 GLN N N 33 117.108 118.762 -1.654 1
1 313 . 18 1 1 A 33 33 GLN H H 33 7.239 7.743 -0.504 1
1 314 . 18 1 1 A 33 33 GLN CA C 33 57.802 59.105 -1.303 1
1 315 . 18 1 1 A 33 33 GLN HA H 33 4.073 3.881 0.192 1
1 316 . 18 1 1 A 33 33 GLN CB C 33 28.374 28.001 0.373 1
1 325 . 18 1 1 A 33 33 GLN C C 33 178.214 178.232 -0.018 1
1 326 . 18 1 1 A 34 34 ILE N N 34 116.246 121.387 -5.141 1
1 327 . 18 1 1 A 34 34 ILE H H 34 7.802 8.034 -0.232 1
1 328 . 18 1 1 A 34 34 ILE CA C 34 63.058 63.922 -0.864 1
1 329 . 18 1 1 A 34 34 ILE HA H 34 3.997 3.677 0.320 1
1 330 . 18 1 1 A 34 34 ILE CB C 34 37.744 37.609 0.135 1
1 343 . 18 1 1 A 34 34 ILE C C 34 177.303 176.961 0.342 1
1 344 . 18 1 1 A 35 35 HIS N N 35 117.300 118.627 -1.327 1
1 345 . 18 1 1 A 35 35 HIS H H 35 7.168 7.726 -0.558 1
1 346 . 18 1 1 A 35 35 HIS CA C 35 55.082 54.722 0.360 1
1 347 . 18 1 1 A 35 35 HIS HA H 35 4.902 4.642 0.260 1
1 348 . 18 1 1 A 35 35 HIS CB C 35 28.700 27.933 0.767 1
1 355 . 18 1 1 A 35 35 HIS C C 35 175.645 175.418 0.227 1
1 356 . 18 1 1 A 36 36 THR N N 36 112.636 115.337 -2.701 1
1 357 . 18 1 1 A 36 36 THR H H 36 7.742 7.757 -0.015 1
1 358 . 18 1 1 A 36 36 THR CA C 36 62.837 61.233 1.604 1
1 359 . 18 1 1 A 36 36 THR HA H 36 4.303 4.468 -0.165 1
1 360 . 18 1 1 A 36 36 THR CB C 36 69.713 69.307 0.406 1
1 366 . 18 1 1 A 36 36 THR C C 36 175.349 175.602 -0.253 1
1 367 . 18 1 1 A 37 37 GLY N N 37 110.952 111.951 -0.999 1
1 368 . 18 1 1 A 37 37 GLY H H 37 8.329 8.415 -0.086 1
1 369 . 18 1 1 A 37 37 GLY CA C 37 45.353 46.786 -1.433 1
1 370 . 18 1 1 A 37 37 GLY HA2 H 37 4.000 3.861 0.139 1
1 371 . 18 1 1 A 37 37 GLY HA3 H 37 4.000 3.871 0.129 1
1 372 . 18 1 1 A 37 37 GLY C C 37 174.021 174.511 -0.490 1
1 373 . 18 1 1 A 38 38 GLU N N 38 120.547 116.637 3.910 1
1 374 . 18 1 1 A 38 38 GLU H H 38 8.063 8.113 -0.050 1
1 375 . 18 1 1 A 38 38 GLU CA C 38 56.431 56.099 0.332 1
1 376 . 18 1 1 A 38 38 GLU HA H 38 4.270 4.299 -0.029 1
1 377 . 18 1 1 A 38 38 GLU CB C 38 30.563 29.205 1.358 1
1 383 . 18 1 1 A 38 38 GLU C C 38 176.207 175.588 0.619 1
1 384 . 18 1 1 A 39 39 LYS N N 39 123.687 120.202 3.485 1
1 385 . 18 1 1 A 39 39 LYS H H 39 8.412 7.345 1.067 1
1 386 . 18 1 1 A 39 39 LYS CA C 39 54.062 52.850 1.212 1
1 387 . 18 1 1 A 39 39 LYS HA H 39 4.621 4.808 -0.187 1
1 388 . 18 1 1 A 39 39 LYS CB C 39 32.571 35.235 -2.664 1
1 400 . 18 1 1 A 39 39 LYS C C 39 174.427 174.087 0.340 1
1 401 . 18 1 1 A 40 40 PRO CA C 40 63.207 62.813 0.394 1
1 402 . 18 1 1 A 40 40 PRO HA H 40 4.475 4.447 0.028 1
1 403 . 18 1 1 A 40 40 PRO CB C 40 32.205 32.236 -0.031 1
1 412 . 18 1 1 A 41 41 SER N N 41 116.537 118.121 -1.584 1
1 413 . 18 1 1 A 41 41 SER H H 41 8.491 8.464 0.027 1
1 414 . 18 1 1 A 42 42 GLY CA C 42 44.661 46.154 -1.493 1
1 415 . 18 1 1 A 42 42 GLY HA2 H 42 4.174 4.212 -0.038 1
1 416 . 18 1 1 A 42 42 GLY HA3 H 42 4.114 4.212 -0.098 1
1 417 . 18 1 1 A 43 43 PRO CA C 43 63.206 64.353 -1.147 1
1 418 . 18 1 1 A 43 43 PRO HA H 43 4.479 4.407 0.072 1
1 419 . 18 1 1 A 43 43 PRO CB C 43 32.187 31.911 0.276 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.470 46.724 -1.254 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 4.008 3.939 0.069 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 4.008 3.941 0.067 1
1 4 . 19 1 1 A 7 7 GLY C C 7 174.519 174.459 0.060 1
1 5 . 19 1 1 A 8 8 THR N N 8 112.809 114.712 -1.903 1
1 6 . 19 1 1 A 8 8 THR H H 8 8.167 8.093 0.074 1
1 7 . 19 1 1 A 8 8 THR CA C 8 61.860 62.743 -0.883 1
1 8 . 19 1 1 A 8 8 THR HA H 8 4.388 4.432 -0.044 1
1 9 . 19 1 1 A 8 8 THR CB C 8 69.699 70.403 -0.704 1
1 15 . 19 1 1 A 8 8 THR C C 8 175.277 174.645 0.632 1
1 16 . 19 1 1 A 9 9 GLY CA C 9 45.306 46.954 -1.648 1
1 17 . 19 1 1 A 9 9 GLY HA2 H 9 3.979 3.859 0.120 1
1 18 . 19 1 1 A 9 9 GLY HA3 H 9 3.938 3.871 0.067 1
1 19 . 19 1 1 A 9 9 GLY C C 9 174.001 174.447 -0.446 1
1 20 . 19 1 1 A 10 10 GLU N N 10 120.420 121.692 -1.272 1
1 21 . 19 1 1 A 10 10 GLU H H 10 8.230 8.141 0.089 1
1 22 . 19 1 1 A 10 10 GLU CA C 10 56.759 57.139 -0.380 1
1 23 . 19 1 1 A 10 10 GLU HA H 10 4.223 4.188 0.035 1
1 24 . 19 1 1 A 10 10 GLU CB C 10 30.471 30.259 0.212 1
1 30 . 19 1 1 A 10 10 GLU C C 10 176.269 175.677 0.592 1
1 31 . 19 1 1 A 11 11 LYS N N 11 122.538 127.240 -4.702 1
1 32 . 19 1 1 A 11 11 LYS H H 11 8.294 8.154 0.140 1
1 33 . 19 1 1 A 11 11 LYS CA C 11 53.942 52.999 0.943 1
1 34 . 19 1 1 A 11 11 LYS HA H 11 4.522 4.735 -0.213 1
1 35 . 19 1 1 A 11 11 LYS CB C 11 32.707 34.964 -2.257 1
1 47 . 19 1 1 A 11 11 LYS C C 11 174.065 176.100 -2.035 1
1 48 . 19 1 1 A 12 12 PRO CA C 12 63.244 64.131 -0.887 1
1 49 . 19 1 1 A 12 12 PRO HA H 12 4.306 4.237 0.069 1
1 50 . 19 1 1 A 12 12 PRO CB C 12 32.290 31.504 0.786 1
1 59 . 19 1 1 A 12 12 PRO C C 12 176.129 175.686 0.443 1
1 60 . 19 1 1 A 13 13 TYR N N 13 118.690 118.182 0.508 1
1 61 . 19 1 1 A 13 13 TYR H H 13 8.094 6.855 1.239 1
1 62 . 19 1 1 A 13 13 TYR CA C 13 57.656 56.834 0.822 1
1 63 . 19 1 1 A 13 13 TYR HA H 13 4.596 5.309 -0.713 1
1 64 . 19 1 1 A 13 13 TYR CB C 13 38.758 41.527 -2.769 1
1 75 . 19 1 1 A 13 13 TYR C C 13 174.523 174.305 0.218 1
1 76 . 19 1 1 A 14 14 GLU N N 14 124.311 124.464 -0.153 1
1 77 . 19 1 1 A 14 14 GLU H H 14 8.612 9.146 -0.534 1
1 78 . 19 1 1 A 14 14 GLU CA C 14 54.972 54.742 0.230 1
1 79 . 19 1 1 A 14 14 GLU HA H 14 4.858 5.129 -0.271 1
1 80 . 19 1 1 A 14 14 GLU CB C 14 33.017 33.628 -0.611 1
1 86 . 19 1 1 A 14 14 GLU C C 14 175.370 174.837 0.533 1
1 87 . 19 1 1 A 15 15 CYS N N 15 126.829 124.532 2.297 1
1 88 . 19 1 1 A 15 15 CYS H H 15 9.299 9.286 0.013 1
1 89 . 19 1 1 A 15 15 CYS CA C 15 59.489 58.561 0.928 1
1 90 . 19 1 1 A 15 15 CYS HA H 15 4.615 4.761 -0.146 1
1 91 . 19 1 1 A 15 15 CYS CB C 15 29.588 28.881 0.707 1
1 94 . 19 1 1 A 15 15 CYS C C 15 177.251 176.700 0.551 1
1 95 . 19 1 1 A 16 16 SER CA C 16 60.823 59.194 1.629 1
1 96 . 19 1 1 A 16 16 SER HA H 16 4.324 4.454 -0.130 1
1 97 . 19 1 1 A 16 16 SER CB C 16 63.099 63.514 -0.415 1
1 100 . 19 1 1 A 16 16 SER C C 16 174.225 173.999 0.226 1
1 101 . 19 1 1 A 17 17 ILE N N 17 123.696 120.101 3.595 1
1 102 . 19 1 1 A 17 17 ILE H H 17 8.607 7.548 1.059 1
1 103 . 19 1 1 A 17 17 ILE CA C 17 63.401 62.670 0.731 1
1 104 . 19 1 1 A 17 17 ILE HA H 17 3.927 4.039 -0.112 1
1 105 . 19 1 1 A 17 17 ILE CB C 17 38.358 38.746 -0.388 1
1 118 . 19 1 1 A 17 17 ILE C C 17 176.969 177.622 -0.653 1
1 119 . 19 1 1 A 18 18 CYS N N 18 115.697 115.887 -0.190 1
1 120 . 19 1 1 A 18 18 CYS H H 18 8.021 7.877 0.144 1
1 121 . 19 1 1 A 18 18 CYS CA C 18 58.229 59.636 -1.407 1
1 122 . 19 1 1 A 18 18 CYS HA H 18 5.203 4.544 0.659 1
1 123 . 19 1 1 A 18 18 CYS CB C 18 32.739 29.411 3.328 1
1 126 . 19 1 1 A 18 18 CYS C C 18 176.506 175.299 1.207 1
1 127 . 19 1 1 A 19 19 GLY N N 19 113.451 109.516 3.935 1
1 128 . 19 1 1 A 19 19 GLY H H 19 8.148 7.929 0.219 1
1 129 . 19 1 1 A 19 19 GLY CA C 19 46.236 45.211 1.025 1
1 130 . 19 1 1 A 19 19 GLY HA2 H 19 3.894 4.024 -0.130 1
1 131 . 19 1 1 A 19 19 GLY HA3 H 19 4.247 4.031 0.216 1
1 132 . 19 1 1 A 19 19 GLY C C 19 173.836 174.587 -0.751 1
1 133 . 19 1 1 A 20 20 LYS N N 20 122.918 121.322 1.596 1
1 134 . 19 1 1 A 20 20 LYS H H 20 7.971 7.497 0.474 1
1 135 . 19 1 1 A 20 20 LYS CA C 20 57.991 57.028 0.963 1
1 136 . 19 1 1 A 20 20 LYS HA H 20 4.043 4.086 -0.043 1
1 137 . 19 1 1 A 20 20 LYS CB C 20 33.587 33.364 0.223 1
1 149 . 19 1 1 A 20 20 LYS C C 20 174.295 175.361 -1.066 1
1 150 . 19 1 1 A 21 21 SER N N 21 115.357 113.076 2.281 1
1 151 . 19 1 1 A 21 21 SER H H 21 7.819 8.174 -0.355 1
1 152 . 19 1 1 A 21 21 SER CA C 21 56.697 55.934 0.763 1
1 153 . 19 1 1 A 21 21 SER HA H 21 5.301 5.328 -0.027 1
1 154 . 19 1 1 A 21 21 SER CB C 21 66.038 65.805 0.233 1
1 157 . 19 1 1 A 21 21 SER C C 21 173.121 172.878 0.243 1
1 158 . 19 1 1 A 22 22 PHE N N 22 118.204 119.243 -1.039 1
1 159 . 19 1 1 A 22 22 PHE H H 22 8.662 9.129 -0.467 1
1 160 . 19 1 1 A 22 22 PHE CA C 22 57.284 56.317 0.967 1
1 161 . 19 1 1 A 22 22 PHE HA H 22 4.810 4.983 -0.173 1
1 162 . 19 1 1 A 22 22 PHE CB C 22 43.860 44.005 -0.145 1
1 175 . 19 1 1 A 22 22 PHE C C 22 175.380 175.070 0.310 1
1 176 . 19 1 1 A 23 23 THR N N 23 114.460 113.062 1.398 1
1 177 . 19 1 1 A 23 23 THR H H 23 8.904 8.673 0.231 1
1 178 . 19 1 1 A 23 23 THR CA C 23 64.664 61.459 3.205 1
1 179 . 19 1 1 A 23 23 THR HA H 23 4.429 4.956 -0.527 1
1 180 . 19 1 1 A 23 23 THR CB C 23 69.577 69.693 -0.116 1
1 186 . 19 1 1 A 23 23 THR C C 23 174.705 174.300 0.405 1
1 187 . 19 1 1 A 24 24 LYS N N 24 117.025 120.880 -3.855 1
1 188 . 19 1 1 A 24 24 LYS H H 24 7.637 7.532 0.105 1
1 189 . 19 1 1 A 24 24 LYS CA C 24 54.289 54.565 -0.276 1
1 190 . 19 1 1 A 24 24 LYS HA H 24 4.858 4.491 0.367 1
1 191 . 19 1 1 A 24 24 LYS CB C 24 35.986 35.044 0.942 1
1 203 . 19 1 1 A 24 24 LYS C C 24 176.551 175.831 0.720 1
1 204 . 19 1 1 A 25 25 LYS N N 25 127.352 126.750 0.602 1
1 205 . 19 1 1 A 25 25 LYS H H 25 8.516 8.146 0.370 1
1 206 . 19 1 1 A 25 25 LYS CA C 25 59.682 59.212 0.470 1
1 207 . 19 1 1 A 25 25 LYS HA H 25 2.925 2.961 -0.036 1
1 208 . 19 1 1 A 25 25 LYS CB C 25 31.703 31.873 -0.170 1
1 220 . 19 1 1 A 25 25 LYS C C 25 178.182 177.613 0.569 1
1 221 . 19 1 1 A 26 26 SER CA C 26 60.759 61.679 -0.920 1
1 222 . 19 1 1 A 26 26 SER HA H 26 4.015 4.084 -0.069 1
1 223 . 19 1 1 A 26 26 SER CB C 26 61.414 62.817 -1.403 1
1 226 . 19 1 1 A 26 26 SER C C 26 176.943 176.890 0.053 1
1 227 . 19 1 1 A 27 27 GLN N N 27 120.004 121.289 -1.285 1
1 228 . 19 1 1 A 27 27 GLN H H 27 6.690 7.770 -1.080 1
1 229 . 19 1 1 A 27 27 GLN CA C 27 57.577 58.745 -1.168 1
1 230 . 19 1 1 A 27 27 GLN HA H 27 3.973 3.894 0.079 1
1 231 . 19 1 1 A 27 27 GLN CB C 27 28.433 28.044 0.389 1
1 240 . 19 1 1 A 27 27 GLN C C 27 178.831 178.119 0.712 1
1 241 . 19 1 1 A 28 28 LEU N N 28 121.687 120.935 0.752 1
1 242 . 19 1 1 A 28 28 LEU H H 28 6.973 7.297 -0.324 1
1 243 . 19 1 1 A 28 28 LEU CA C 28 57.775 57.528 0.247 1
1 244 . 19 1 1 A 28 28 LEU HA H 28 3.277 3.282 -0.005 1
1 245 . 19 1 1 A 28 28 LEU CB C 28 40.177 41.659 -1.482 1
1 258 . 19 1 1 A 28 28 LEU C C 28 177.514 178.609 -1.095 1
1 259 . 19 1 1 A 29 29 HIS N N 29 118.184 118.092 0.092 1
1 260 . 19 1 1 A 29 29 HIS H H 29 8.049 7.873 0.176 1
1 261 . 19 1 1 A 29 29 HIS CA C 29 59.106 59.237 -0.131 1
1 262 . 19 1 1 A 29 29 HIS HA H 29 4.409 4.212 0.197 1
1 263 . 19 1 1 A 29 29 HIS CB C 29 30.059 29.920 0.139 1
1 270 . 19 1 1 A 29 29 HIS C C 29 178.350 177.875 0.475 1
1 271 . 19 1 1 A 30 30 VAL N N 30 118.277 118.987 -0.710 1
1 272 . 19 1 1 A 30 30 VAL H H 30 7.513 7.855 -0.342 1
1 273 . 19 1 1 A 30 30 VAL CA C 30 66.146 65.999 0.147 1
1 274 . 19 1 1 A 30 30 VAL HA H 30 3.665 3.439 0.226 1
1 275 . 19 1 1 A 30 30 VAL CB C 30 32.158 31.610 0.548 1
1 285 . 19 1 1 A 30 30 VAL C C 30 178.807 177.868 0.939 1
1 286 . 19 1 1 A 31 31 HIS N N 31 119.980 119.566 0.414 1
1 287 . 19 1 1 A 31 31 HIS H H 31 7.606 7.949 -0.343 1
1 288 . 19 1 1 A 31 31 HIS CA C 31 59.357 60.063 -0.706 1
1 289 . 19 1 1 A 31 31 HIS HA H 31 4.165 4.119 0.046 1
1 290 . 19 1 1 A 31 31 HIS CB C 31 28.519 29.229 -0.710 1
1 297 . 19 1 1 A 31 31 HIS C C 31 176.287 177.146 -0.859 1
1 298 . 19 1 1 A 32 32 GLN N N 32 114.428 117.444 -3.016 1
1 299 . 19 1 1 A 32 32 GLN H H 32 8.425 8.431 -0.006 1
1 300 . 19 1 1 A 32 32 GLN CA C 32 59.301 59.045 0.256 1
1 301 . 19 1 1 A 32 32 GLN HA H 32 3.688 3.928 -0.240 1
1 302 . 19 1 1 A 32 32 GLN CB C 32 28.202 28.286 -0.084 1
1 311 . 19 1 1 A 32 32 GLN C C 32 177.554 178.696 -1.142 1
1 312 . 19 1 1 A 33 33 GLN N N 33 117.108 118.865 -1.757 1
1 313 . 19 1 1 A 33 33 GLN H H 33 7.239 7.732 -0.493 1
1 314 . 19 1 1 A 33 33 GLN CA C 33 57.802 58.717 -0.915 1
1 315 . 19 1 1 A 33 33 GLN HA H 33 4.073 4.338 -0.265 1
1 316 . 19 1 1 A 33 33 GLN CB C 33 28.374 28.206 0.168 1
1 325 . 19 1 1 A 33 33 GLN C C 33 178.214 179.139 -0.925 1
1 326 . 19 1 1 A 34 34 ILE N N 34 116.246 119.922 -3.676 1
1 327 . 19 1 1 A 34 34 ILE H H 34 7.802 8.045 -0.243 1
1 328 . 19 1 1 A 34 34 ILE CA C 34 63.058 62.857 0.201 1
1 329 . 19 1 1 A 34 34 ILE HA H 34 3.997 3.781 0.216 1
1 330 . 19 1 1 A 34 34 ILE CB C 34 37.744 37.345 0.399 1
1 343 . 19 1 1 A 34 34 ILE C C 34 177.303 176.359 0.944 1
1 344 . 19 1 1 A 35 35 HIS N N 35 117.300 118.612 -1.312 1
1 345 . 19 1 1 A 35 35 HIS H H 35 7.168 7.977 -0.809 1
1 346 . 19 1 1 A 35 35 HIS CA C 35 55.082 54.968 0.114 1
1 347 . 19 1 1 A 35 35 HIS HA H 35 4.902 4.928 -0.026 1
1 348 . 19 1 1 A 35 35 HIS CB C 35 28.700 28.835 -0.135 1
1 355 . 19 1 1 A 35 35 HIS C C 35 175.645 175.486 0.159 1
1 356 . 19 1 1 A 36 36 THR N N 36 112.636 114.935 -2.299 1
1 357 . 19 1 1 A 36 36 THR H H 36 7.742 7.536 0.206 1
1 358 . 19 1 1 A 36 36 THR CA C 36 62.837 61.690 1.147 1
1 359 . 19 1 1 A 36 36 THR HA H 36 4.303 4.432 -0.129 1
1 360 . 19 1 1 A 36 36 THR CB C 36 69.713 68.930 0.783 1
1 366 . 19 1 1 A 36 36 THR C C 36 175.349 173.676 1.673 1
1 367 . 19 1 1 A 37 37 GLY N N 37 110.952 109.261 1.691 1
1 368 . 19 1 1 A 37 37 GLY H H 37 8.329 7.364 0.965 1
1 369 . 19 1 1 A 37 37 GLY CA C 37 45.353 44.373 0.980 1
1 370 . 19 1 1 A 37 37 GLY HA2 H 37 4.000 4.044 -0.044 1
1 371 . 19 1 1 A 37 37 GLY HA3 H 37 4.000 4.052 -0.052 1
1 372 . 19 1 1 A 37 37 GLY C C 37 174.021 172.263 1.758 1
1 373 . 19 1 1 A 38 38 GLU N N 38 120.547 119.612 0.935 1
1 374 . 19 1 1 A 38 38 GLU H H 38 8.063 8.377 -0.314 1
1 375 . 19 1 1 A 38 38 GLU CA C 38 56.431 55.476 0.955 1
1 376 . 19 1 1 A 38 38 GLU HA H 38 4.270 4.892 -0.622 1
1 377 . 19 1 1 A 38 38 GLU CB C 38 30.563 30.756 -0.193 1
1 383 . 19 1 1 A 38 38 GLU C C 38 176.207 176.624 -0.417 1
1 384 . 19 1 1 A 39 39 LYS N N 39 123.687 124.034 -0.347 1
1 385 . 19 1 1 A 39 39 LYS H H 39 8.412 8.388 0.024 1
1 386 . 19 1 1 A 39 39 LYS CA C 39 54.062 54.788 -0.726 1
1 387 . 19 1 1 A 39 39 LYS HA H 39 4.621 4.655 -0.034 1
1 388 . 19 1 1 A 39 39 LYS CB C 39 32.571 32.376 0.195 1
1 400 . 19 1 1 A 39 39 LYS C C 39 174.427 175.327 -0.900 1
1 401 . 19 1 1 A 40 40 PRO CA C 40 63.207 62.459 0.748 1
1 402 . 19 1 1 A 40 40 PRO HA H 40 4.475 4.745 -0.270 1
1 403 . 19 1 1 A 40 40 PRO CB C 40 32.205 29.695 2.510 1
1 412 . 19 1 1 A 41 41 SER N N 41 116.537 119.985 -3.448 1
1 413 . 19 1 1 A 41 41 SER H H 41 8.491 8.391 0.100 1
1 414 . 19 1 1 A 42 42 GLY CA C 42 44.661 44.670 -0.009 1
1 415 . 19 1 1 A 42 42 GLY HA2 H 42 4.174 4.232 -0.058 1
1 416 . 19 1 1 A 42 42 GLY HA3 H 42 4.114 4.233 -0.119 1
1 417 . 19 1 1 A 43 43 PRO CA C 43 63.206 64.201 -0.995 1
1 418 . 19 1 1 A 43 43 PRO HA H 43 4.479 4.495 -0.016 1
1 419 . 19 1 1 A 43 43 PRO CB C 43 32.187 31.931 0.256 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.470 45.782 -0.312 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 4.008 4.122 -0.114 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 4.008 4.123 -0.115 1
1 4 . 20 1 1 A 7 7 GLY C C 7 174.519 172.979 1.540 1
1 5 . 20 1 1 A 8 8 THR N N 8 112.809 112.724 0.085 1
1 6 . 20 1 1 A 8 8 THR H H 8 8.167 9.209 -1.042 1
1 7 . 20 1 1 A 8 8 THR CA C 8 61.860 63.118 -1.258 1
1 8 . 20 1 1 A 8 8 THR HA H 8 4.388 4.004 0.384 1
1 9 . 20 1 1 A 8 8 THR CB C 8 69.699 67.275 2.424 1
1 15 . 20 1 1 A 8 8 THR C C 8 175.277 174.711 0.566 1
1 16 . 20 1 1 A 9 9 GLY CA C 9 45.306 44.909 0.397 1
1 17 . 20 1 1 A 9 9 GLY HA2 H 9 3.979 3.979 0.000 1
1 18 . 20 1 1 A 9 9 GLY HA3 H 9 3.938 3.981 -0.043 1
1 19 . 20 1 1 A 9 9 GLY C C 9 174.001 173.020 0.981 1
1 20 . 20 1 1 A 10 10 GLU N N 10 120.420 121.922 -1.502 1
1 21 . 20 1 1 A 10 10 GLU H H 10 8.230 8.460 -0.230 1
1 22 . 20 1 1 A 10 10 GLU CA C 10 56.759 54.980 1.779 1
1 23 . 20 1 1 A 10 10 GLU HA H 10 4.223 4.955 -0.732 1
1 24 . 20 1 1 A 10 10 GLU CB C 10 30.471 33.185 -2.714 1
1 30 . 20 1 1 A 10 10 GLU C C 10 176.269 175.557 0.712 1
1 31 . 20 1 1 A 11 11 LYS N N 11 122.538 124.967 -2.429 1
1 32 . 20 1 1 A 11 11 LYS H H 11 8.294 8.430 -0.136 1
1 33 . 20 1 1 A 11 11 LYS CA C 11 53.942 55.090 -1.148 1
1 34 . 20 1 1 A 11 11 LYS HA H 11 4.522 4.294 0.228 1
1 35 . 20 1 1 A 11 11 LYS CB C 11 32.707 31.895 0.812 1
1 47 . 20 1 1 A 11 11 LYS C C 11 174.065 176.794 -2.729 1
1 48 . 20 1 1 A 12 12 PRO CA C 12 63.244 65.021 -1.777 1
1 49 . 20 1 1 A 12 12 PRO HA H 12 4.306 4.233 0.073 1
1 50 . 20 1 1 A 12 12 PRO CB C 12 32.290 31.572 0.718 1
1 59 . 20 1 1 A 12 12 PRO C C 12 176.129 175.928 0.201 1
1 60 . 20 1 1 A 13 13 TYR N N 13 118.690 118.206 0.484 1
1 61 . 20 1 1 A 13 13 TYR H H 13 8.094 7.430 0.664 1
1 62 . 20 1 1 A 13 13 TYR CA C 13 57.656 57.519 0.137 1
1 63 . 20 1 1 A 13 13 TYR HA H 13 4.596 5.134 -0.538 1
1 64 . 20 1 1 A 13 13 TYR CB C 13 38.758 41.080 -2.322 1
1 75 . 20 1 1 A 13 13 TYR C C 13 174.523 174.801 -0.278 1
1 76 . 20 1 1 A 14 14 GLU N N 14 124.311 122.106 2.205 1
1 77 . 20 1 1 A 14 14 GLU H H 14 8.612 9.009 -0.397 1
1 78 . 20 1 1 A 14 14 GLU CA C 14 54.972 55.117 -0.145 1
1 79 . 20 1 1 A 14 14 GLU HA H 14 4.858 5.072 -0.214 1
1 80 . 20 1 1 A 14 14 GLU CB C 14 33.017 33.526 -0.509 1
1 86 . 20 1 1 A 14 14 GLU C C 14 175.370 174.587 0.783 1
1 87 . 20 1 1 A 15 15 CYS N N 15 126.829 125.257 1.572 1
1 88 . 20 1 1 A 15 15 CYS H H 15 9.299 9.427 -0.128 1
1 89 . 20 1 1 A 15 15 CYS CA C 15 59.489 58.315 1.174 1
1 90 . 20 1 1 A 15 15 CYS HA H 15 4.615 4.845 -0.230 1
1 91 . 20 1 1 A 15 15 CYS CB C 15 29.588 28.957 0.631 1
1 94 . 20 1 1 A 15 15 CYS C C 15 177.251 175.875 1.376 1
1 95 . 20 1 1 A 16 16 SER CA C 16 60.823 58.224 2.599 1
1 96 . 20 1 1 A 16 16 SER HA H 16 4.324 4.741 -0.417 1
1 97 . 20 1 1 A 16 16 SER CB C 16 63.099 63.387 -0.288 1
1 100 . 20 1 1 A 16 16 SER C C 16 174.225 174.480 -0.255 1
1 101 . 20 1 1 A 17 17 ILE N N 17 123.696 120.534 3.162 1
1 102 . 20 1 1 A 17 17 ILE H H 17 8.607 7.745 0.862 1
1 103 . 20 1 1 A 17 17 ILE CA C 17 63.401 62.469 0.932 1
1 104 . 20 1 1 A 17 17 ILE HA H 17 3.927 4.121 -0.194 1
1 105 . 20 1 1 A 17 17 ILE CB C 17 38.358 38.835 -0.477 1
1 118 . 20 1 1 A 17 17 ILE C C 17 176.969 177.600 -0.631 1
1 119 . 20 1 1 A 18 18 CYS N N 18 115.697 115.883 -0.186 1
1 120 . 20 1 1 A 18 18 CYS H H 18 8.021 7.909 0.112 1
1 121 . 20 1 1 A 18 18 CYS CA C 18 58.229 59.653 -1.424 1
1 122 . 20 1 1 A 18 18 CYS HA H 18 5.203 4.522 0.681 1
1 123 . 20 1 1 A 18 18 CYS CB C 18 32.739 29.273 3.466 1
1 126 . 20 1 1 A 18 18 CYS C C 18 176.506 175.129 1.377 1
1 127 . 20 1 1 A 19 19 GLY N N 19 113.451 110.031 3.420 1
1 128 . 20 1 1 A 19 19 GLY H H 19 8.148 8.000 0.148 1
1 129 . 20 1 1 A 19 19 GLY CA C 19 46.236 45.217 1.019 1
1 130 . 20 1 1 A 19 19 GLY HA2 H 19 3.894 4.074 -0.180 1
1 131 . 20 1 1 A 19 19 GLY HA3 H 19 4.247 4.083 0.164 1
1 132 . 20 1 1 A 19 19 GLY C C 19 173.836 174.165 -0.329 1
1 133 . 20 1 1 A 20 20 LYS N N 20 122.918 119.387 3.531 1
1 134 . 20 1 1 A 20 20 LYS H H 20 7.971 7.966 0.005 1
1 135 . 20 1 1 A 20 20 LYS CA C 20 57.991 54.473 3.518 1
1 136 . 20 1 1 A 20 20 LYS HA H 20 4.043 4.609 -0.566 1
1 137 . 20 1 1 A 20 20 LYS CB C 20 33.587 34.112 -0.525 1
1 149 . 20 1 1 A 20 20 LYS C C 20 174.295 175.359 -1.064 1
1 150 . 20 1 1 A 21 21 SER N N 21 115.357 112.997 2.360 1
1 151 . 20 1 1 A 21 21 SER H H 21 7.819 8.566 -0.747 1
1 152 . 20 1 1 A 21 21 SER CA C 21 56.697 56.340 0.357 1
1 153 . 20 1 1 A 21 21 SER HA H 21 5.301 5.415 -0.114 1
1 154 . 20 1 1 A 21 21 SER CB C 21 66.038 65.651 0.387 1
1 157 . 20 1 1 A 21 21 SER C C 21 173.121 172.701 0.420 1
1 158 . 20 1 1 A 22 22 PHE N N 22 118.204 119.804 -1.600 1
1 159 . 20 1 1 A 22 22 PHE H H 22 8.662 8.869 -0.207 1
1 160 . 20 1 1 A 22 22 PHE CA C 22 57.284 56.371 0.913 1
1 161 . 20 1 1 A 22 22 PHE HA H 22 4.810 4.989 -0.179 1
1 162 . 20 1 1 A 22 22 PHE CB C 22 43.860 43.881 -0.021 1
1 175 . 20 1 1 A 22 22 PHE C C 22 175.380 175.162 0.218 1
1 176 . 20 1 1 A 23 23 THR N N 23 114.460 113.185 1.275 1
1 177 . 20 1 1 A 23 23 THR H H 23 8.904 8.683 0.221 1
1 178 . 20 1 1 A 23 23 THR CA C 23 64.664 61.295 3.369 1
1 179 . 20 1 1 A 23 23 THR HA H 23 4.429 5.006 -0.577 1
1 180 . 20 1 1 A 23 23 THR CB C 23 69.577 69.745 -0.168 1
1 186 . 20 1 1 A 23 23 THR C C 23 174.705 174.169 0.536 1
1 187 . 20 1 1 A 24 24 LYS N N 24 117.025 120.584 -3.559 1
1 188 . 20 1 1 A 24 24 LYS H H 24 7.637 7.476 0.161 1
1 189 . 20 1 1 A 24 24 LYS CA C 24 54.289 54.639 -0.350 1
1 190 . 20 1 1 A 24 24 LYS HA H 24 4.858 4.484 0.374 1
1 191 . 20 1 1 A 24 24 LYS CB C 24 35.986 34.584 1.402 1
1 203 . 20 1 1 A 24 24 LYS C C 24 176.551 176.326 0.225 1
1 204 . 20 1 1 A 25 25 LYS N N 25 127.352 125.653 1.699 1
1 205 . 20 1 1 A 25 25 LYS H H 25 8.516 8.392 0.124 1
1 206 . 20 1 1 A 25 25 LYS CA C 25 59.682 59.585 0.097 1
1 207 . 20 1 1 A 25 25 LYS HA H 25 2.925 3.130 -0.205 1
1 208 . 20 1 1 A 25 25 LYS CB C 25 31.703 31.771 -0.068 1
1 220 . 20 1 1 A 25 25 LYS C C 25 178.182 177.958 0.224 1
1 221 . 20 1 1 A 26 26 SER CA C 26 60.759 61.383 -0.624 1
1 222 . 20 1 1 A 26 26 SER HA H 26 4.015 4.063 -0.048 1
1 223 . 20 1 1 A 26 26 SER CB C 26 61.414 62.879 -1.465 1
1 226 . 20 1 1 A 26 26 SER C C 26 176.943 177.207 -0.264 1
1 227 . 20 1 1 A 27 27 GLN N N 27 120.004 121.564 -1.560 1
1 228 . 20 1 1 A 27 27 GLN H H 27 6.690 7.775 -1.085 1
1 229 . 20 1 1 A 27 27 GLN CA C 27 57.577 58.878 -1.301 1
1 230 . 20 1 1 A 27 27 GLN HA H 27 3.973 3.955 0.018 1
1 231 . 20 1 1 A 27 27 GLN CB C 27 28.433 28.061 0.372 1
1 240 . 20 1 1 A 27 27 GLN C C 27 178.831 178.263 0.568 1
1 241 . 20 1 1 A 28 28 LEU N N 28 121.687 120.943 0.744 1
1 242 . 20 1 1 A 28 28 LEU H H 28 6.973 7.357 -0.384 1
1 243 . 20 1 1 A 28 28 LEU CA C 28 57.775 57.302 0.473 1
1 244 . 20 1 1 A 28 28 LEU HA H 28 3.277 2.854 0.423 1
1 245 . 20 1 1 A 28 28 LEU CB C 28 40.177 41.314 -1.137 1
1 258 . 20 1 1 A 28 28 LEU C C 28 177.514 178.222 -0.708 1
1 259 . 20 1 1 A 29 29 HIS N N 29 118.184 118.142 0.042 1
1 260 . 20 1 1 A 29 29 HIS H H 29 8.049 7.938 0.111 1
1 261 . 20 1 1 A 29 29 HIS CA C 29 59.106 59.216 -0.110 1
1 262 . 20 1 1 A 29 29 HIS HA H 29 4.409 4.186 0.223 1
1 263 . 20 1 1 A 29 29 HIS CB C 29 30.059 30.159 -0.100 1
1 270 . 20 1 1 A 29 29 HIS C C 29 178.350 178.437 -0.087 1
1 271 . 20 1 1 A 30 30 VAL N N 30 118.277 119.108 -0.831 1
1 272 . 20 1 1 A 30 30 VAL H H 30 7.513 8.037 -0.524 1
1 273 . 20 1 1 A 30 30 VAL CA C 30 66.146 65.619 0.527 1
1 274 . 20 1 1 A 30 30 VAL HA H 30 3.665 3.703 -0.038 1
1 275 . 20 1 1 A 30 30 VAL CB C 30 32.158 31.301 0.857 1
1 285 . 20 1 1 A 30 30 VAL C C 30 178.807 177.710 1.097 1
1 286 . 20 1 1 A 31 31 HIS N N 31 119.980 121.033 -1.053 1
1 287 . 20 1 1 A 31 31 HIS H H 31 7.606 7.973 -0.367 1
1 288 . 20 1 1 A 31 31 HIS CA C 31 59.357 58.616 0.741 1
1 289 . 20 1 1 A 31 31 HIS HA H 31 4.165 4.175 -0.010 1
1 290 . 20 1 1 A 31 31 HIS CB C 31 28.519 29.755 -1.236 1
1 297 . 20 1 1 A 31 31 HIS C C 31 176.287 177.207 -0.920 1
1 298 . 20 1 1 A 32 32 GLN N N 32 114.428 118.682 -4.254 1
1 299 . 20 1 1 A 32 32 GLN H H 32 8.425 8.446 -0.021 1
1 300 . 20 1 1 A 32 32 GLN CA C 32 59.301 59.221 0.080 1
1 301 . 20 1 1 A 32 32 GLN HA H 32 3.688 3.886 -0.198 1
1 302 . 20 1 1 A 32 32 GLN CB C 32 28.202 28.209 -0.007 1
1 311 . 20 1 1 A 32 32 GLN C C 32 177.554 178.590 -1.036 1
1 312 . 20 1 1 A 33 33 GLN N N 33 117.108 117.275 -0.167 1
1 313 . 20 1 1 A 33 33 GLN H H 33 7.239 8.350 -1.111 1
1 314 . 20 1 1 A 33 33 GLN CA C 33 57.802 58.225 -0.423 1
1 315 . 20 1 1 A 33 33 GLN HA H 33 4.073 4.402 -0.329 1
1 316 . 20 1 1 A 33 33 GLN CB C 33 28.374 27.326 1.048 1
1 325 . 20 1 1 A 33 33 GLN C C 33 178.214 178.117 0.097 1
1 326 . 20 1 1 A 34 34 ILE N N 34 116.246 121.419 -5.173 1
1 327 . 20 1 1 A 34 34 ILE H H 34 7.802 7.893 -0.091 1
1 328 . 20 1 1 A 34 34 ILE CA C 34 63.058 62.834 0.224 1
1 329 . 20 1 1 A 34 34 ILE HA H 34 3.997 3.775 0.222 1
1 330 . 20 1 1 A 34 34 ILE CB C 34 37.744 37.338 0.406 1
1 343 . 20 1 1 A 34 34 ILE C C 34 177.303 176.521 0.782 1
1 344 . 20 1 1 A 35 35 HIS N N 35 117.300 118.402 -1.102 1
1 345 . 20 1 1 A 35 35 HIS H H 35 7.168 7.540 -0.372 1
1 346 . 20 1 1 A 35 35 HIS CA C 35 55.082 55.049 0.033 1
1 347 . 20 1 1 A 35 35 HIS HA H 35 4.902 4.787 0.115 1
1 348 . 20 1 1 A 35 35 HIS CB C 35 28.700 29.241 -0.541 1
1 355 . 20 1 1 A 35 35 HIS C C 35 175.645 174.133 1.512 1
1 356 . 20 1 1 A 36 36 THR N N 36 112.636 114.832 -2.196 1
1 357 . 20 1 1 A 36 36 THR H H 36 7.742 7.236 0.506 1
1 358 . 20 1 1 A 36 36 THR CA C 36 62.837 60.123 2.714 1
1 359 . 20 1 1 A 36 36 THR HA H 36 4.303 4.784 -0.481 1
1 360 . 20 1 1 A 36 36 THR CB C 36 69.713 70.814 -1.101 1
1 366 . 20 1 1 A 36 36 THR C C 36 175.349 174.841 0.508 1
1 367 . 20 1 1 A 37 37 GLY N N 37 110.952 114.301 -3.349 1
1 368 . 20 1 1 A 37 37 GLY H H 37 8.329 8.828 -0.499 1
1 369 . 20 1 1 A 37 37 GLY CA C 37 45.353 47.490 -2.137 1
1 370 . 20 1 1 A 37 37 GLY HA2 H 37 4.000 3.854 0.146 1
1 371 . 20 1 1 A 37 37 GLY HA3 H 37 4.000 3.855 0.145 1
1 372 . 20 1 1 A 37 37 GLY C C 37 174.021 173.762 0.259 1
1 373 . 20 1 1 A 38 38 GLU N N 38 120.547 120.764 -0.217 1
1 374 . 20 1 1 A 38 38 GLU H H 38 8.063 8.556 -0.493 1
1 375 . 20 1 1 A 38 38 GLU CA C 38 56.431 55.051 1.380 1
1 376 . 20 1 1 A 38 38 GLU HA H 38 4.270 4.622 -0.352 1
1 377 . 20 1 1 A 38 38 GLU CB C 38 30.563 30.817 -0.254 1
1 383 . 20 1 1 A 38 38 GLU C C 38 176.207 176.671 -0.464 1
1 384 . 20 1 1 A 39 39 LYS N N 39 123.687 120.608 3.079 1
1 385 . 20 1 1 A 39 39 LYS H H 39 8.412 8.529 -0.117 1
1 386 . 20 1 1 A 39 39 LYS CA C 39 54.062 57.171 -3.109 1
1 387 . 20 1 1 A 39 39 LYS HA H 39 4.621 3.908 0.713 1
1 388 . 20 1 1 A 39 39 LYS CB C 39 32.571 31.009 1.562 1
1 400 . 20 1 1 A 39 39 LYS C C 39 174.427 175.453 -1.026 1
1 401 . 20 1 1 A 40 40 PRO CA C 40 63.207 62.408 0.799 1
1 402 . 20 1 1 A 40 40 PRO HA H 40 4.475 4.549 -0.074 1
1 403 . 20 1 1 A 40 40 PRO CB C 40 32.205 32.725 -0.520 1
1 412 . 20 1 1 A 41 41 SER N N 41 116.537 114.850 1.687 1
1 413 . 20 1 1 A 41 41 SER H H 41 8.491 8.294 0.197 1
1 414 . 20 1 1 A 42 42 GLY CA C 42 44.661 44.604 0.057 1
1 415 . 20 1 1 A 42 42 GLY HA2 H 42 4.174 4.062 0.112 1
1 416 . 20 1 1 A 42 42 GLY HA3 H 42 4.114 4.064 0.050 1
1 417 . 20 1 1 A 43 43 PRO CA C 43 63.206 62.704 0.502 1
1 418 . 20 1 1 A 43 43 PRO HA H 43 4.479 4.597 -0.118 1
1 419 . 20 1 1 A 43 43 PRO CB C 43 32.187 31.615 0.572 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 33 0.934 1
2 1 1 1 "RMS(OBS, PRED)" CA 36 1.078 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.089 1
4 1 1 1 "RMS(OBS, PRED)" H 29 0.501 1
5 1 1 1 "RMS(OBS, PRED)" HA 41 0.243 1
6 1 1 1 "RMS(OBS, PRED)" N 29 2.103 1
7 1 2 1 "RMS(OBS, PRED)" C 33 1.026 1
8 1 2 1 "RMS(OBS, PRED)" CA 36 1.292 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.053 1
10 1 2 1 "RMS(OBS, PRED)" H 29 0.508 1
11 1 2 1 "RMS(OBS, PRED)" HA 41 0.253 1
12 1 2 1 "RMS(OBS, PRED)" N 29 2.068 1
13 1 3 1 "RMS(OBS, PRED)" C 33 0.926 1
14 1 3 1 "RMS(OBS, PRED)" CA 36 1.098 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.201 1
16 1 3 1 "RMS(OBS, PRED)" H 29 0.551 1
17 1 3 1 "RMS(OBS, PRED)" HA 41 0.282 1
18 1 3 1 "RMS(OBS, PRED)" N 29 2.198 1
19 1 4 1 "RMS(OBS, PRED)" C 33 0.847 1
20 1 4 1 "RMS(OBS, PRED)" CA 36 1.371 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.117 1
22 1 4 1 "RMS(OBS, PRED)" H 29 0.500 1
23 1 4 1 "RMS(OBS, PRED)" HA 41 0.258 1
24 1 4 1 "RMS(OBS, PRED)" N 29 2.355 1
25 1 5 1 "RMS(OBS, PRED)" C 33 0.995 1
26 1 5 1 "RMS(OBS, PRED)" CA 36 1.339 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.420 1
28 1 5 1 "RMS(OBS, PRED)" H 29 0.472 1
29 1 5 1 "RMS(OBS, PRED)" HA 41 0.308 1
30 1 5 1 "RMS(OBS, PRED)" N 29 2.599 1
31 1 6 1 "RMS(OBS, PRED)" C 33 1.059 1
32 1 6 1 "RMS(OBS, PRED)" CA 36 1.305 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.234 1
34 1 6 1 "RMS(OBS, PRED)" H 29 0.511 1
35 1 6 1 "RMS(OBS, PRED)" HA 41 0.268 1
36 1 6 1 "RMS(OBS, PRED)" N 29 2.263 1
37 1 7 1 "RMS(OBS, PRED)" C 33 1.004 1
38 1 7 1 "RMS(OBS, PRED)" CA 36 1.469 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.125 1
40 1 7 1 "RMS(OBS, PRED)" H 29 0.462 1
41 1 7 1 "RMS(OBS, PRED)" HA 41 0.317 1
42 1 7 1 "RMS(OBS, PRED)" N 29 2.785 1
43 1 8 1 "RMS(OBS, PRED)" C 33 1.024 1
44 1 8 1 "RMS(OBS, PRED)" CA 36 1.188 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.150 1
46 1 8 1 "RMS(OBS, PRED)" H 29 0.509 1
47 1 8 1 "RMS(OBS, PRED)" HA 41 0.278 1
48 1 8 1 "RMS(OBS, PRED)" N 29 2.232 1
49 1 9 1 "RMS(OBS, PRED)" C 33 0.988 1
50 1 9 1 "RMS(OBS, PRED)" CA 36 1.657 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.303 1
52 1 9 1 "RMS(OBS, PRED)" H 29 0.501 1
53 1 9 1 "RMS(OBS, PRED)" HA 41 0.323 1
54 1 9 1 "RMS(OBS, PRED)" N 29 2.402 1
55 1 10 1 "RMS(OBS, PRED)" C 33 0.956 1
56 1 10 1 "RMS(OBS, PRED)" CA 36 1.334 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.272 1
58 1 10 1 "RMS(OBS, PRED)" H 29 0.551 1
59 1 10 1 "RMS(OBS, PRED)" HA 41 0.286 1
60 1 10 1 "RMS(OBS, PRED)" N 29 2.454 1
61 1 11 1 "RMS(OBS, PRED)" C 33 1.145 1
62 1 11 1 "RMS(OBS, PRED)" CA 36 1.365 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.445 1
64 1 11 1 "RMS(OBS, PRED)" H 29 0.522 1
65 1 11 1 "RMS(OBS, PRED)" HA 41 0.300 1
66 1 11 1 "RMS(OBS, PRED)" N 29 2.354 1
67 1 12 1 "RMS(OBS, PRED)" C 33 0.858 1
68 1 12 1 "RMS(OBS, PRED)" CA 36 1.157 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.282 1
70 1 12 1 "RMS(OBS, PRED)" H 29 0.461 1
71 1 12 1 "RMS(OBS, PRED)" HA 41 0.283 1
72 1 12 1 "RMS(OBS, PRED)" N 29 2.562 1
73 1 13 1 "RMS(OBS, PRED)" C 33 0.901 1
74 1 13 1 "RMS(OBS, PRED)" CA 36 1.208 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.322 1
76 1 13 1 "RMS(OBS, PRED)" H 29 0.536 1
77 1 13 1 "RMS(OBS, PRED)" HA 41 0.287 1
78 1 13 1 "RMS(OBS, PRED)" N 29 2.676 1
79 1 14 1 "RMS(OBS, PRED)" C 33 0.849 1
80 1 14 1 "RMS(OBS, PRED)" CA 36 1.405 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.177 1
82 1 14 1 "RMS(OBS, PRED)" H 29 0.511 1
83 1 14 1 "RMS(OBS, PRED)" HA 41 0.294 1
84 1 14 1 "RMS(OBS, PRED)" N 29 2.547 1
85 1 15 1 "RMS(OBS, PRED)" C 33 1.072 1
86 1 15 1 "RMS(OBS, PRED)" CA 36 1.440 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.315 1
88 1 15 1 "RMS(OBS, PRED)" H 29 0.551 1
89 1 15 1 "RMS(OBS, PRED)" HA 41 0.333 1
90 1 15 1 "RMS(OBS, PRED)" N 29 2.527 1
91 1 16 1 "RMS(OBS, PRED)" C 33 1.073 1
92 1 16 1 "RMS(OBS, PRED)" CA 36 1.198 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.202 1
94 1 16 1 "RMS(OBS, PRED)" H 29 0.507 1
95 1 16 1 "RMS(OBS, PRED)" HA 41 0.282 1
96 1 16 1 "RMS(OBS, PRED)" N 29 2.250 1
97 1 17 1 "RMS(OBS, PRED)" C 33 0.862 1
98 1 17 1 "RMS(OBS, PRED)" CA 36 1.374 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.201 1
100 1 17 1 "RMS(OBS, PRED)" H 29 0.491 1
101 1 17 1 "RMS(OBS, PRED)" HA 41 0.313 1
102 1 17 1 "RMS(OBS, PRED)" N 29 2.182 1
103 1 18 1 "RMS(OBS, PRED)" C 33 0.961 1
104 1 18 1 "RMS(OBS, PRED)" CA 36 1.112 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.253 1
106 1 18 1 "RMS(OBS, PRED)" H 29 0.544 1
107 1 18 1 "RMS(OBS, PRED)" HA 41 0.272 1
108 1 18 1 "RMS(OBS, PRED)" N 29 2.480 1
109 1 19 1 "RMS(OBS, PRED)" C 33 0.870 1
110 1 19 1 "RMS(OBS, PRED)" CA 36 1.025 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.150 1
112 1 19 1 "RMS(OBS, PRED)" H 29 0.514 1
113 1 19 1 "RMS(OBS, PRED)" HA 41 0.247 1
114 1 19 1 "RMS(OBS, PRED)" N 29 2.226 1
115 1 20 1 "RMS(OBS, PRED)" C 33 0.918 1
116 1 20 1 "RMS(OBS, PRED)" CA 36 1.456 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.251 1
118 1 20 1 "RMS(OBS, PRED)" H 29 0.506 1
119 1 20 1 "RMS(OBS, PRED)" HA 41 0.322 1
120 1 20 1 "RMS(OBS, PRED)" N 29 2.349 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.470 45.613 -0.143 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 4.008 4.070 -0.062 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 4.008 4.072 -0.064 2
1 4 . 1 1 A 7 7 GLY C C 7 174.519 173.882 0.637 2
1 5 . 1 1 A 8 8 THR N N 8 112.809 115.168 -2.360 2
1 6 . 1 1 A 8 8 THR H H 8 8.167 8.329 -0.162 2
1 7 . 1 1 A 8 8 THR CA C 8 61.860 62.283 -0.423 2
1 8 . 1 1 A 8 8 THR HA H 8 4.388 4.478 -0.090 2
1 9 . 1 1 A 8 8 THR CB C 8 69.699 69.704 -0.005 2
1 15 . 1 1 A 8 8 THR C C 8 175.277 174.400 0.877 2
1 16 . 1 1 A 9 9 GLY CA C 9 45.306 45.395 -0.089 2
1 17 . 1 1 A 9 9 GLY HA2 H 9 3.979 4.065 -0.086 2
1 18 . 1 1 A 9 9 GLY HA3 H 9 3.938 4.067 -0.129 2
1 19 . 1 1 A 9 9 GLY C C 9 174.001 173.227 0.774 2
1 20 . 1 1 A 10 10 GLU N N 10 120.420 121.488 -1.068 2
1 21 . 1 1 A 10 10 GLU H H 10 8.230 8.464 -0.234 2
1 22 . 1 1 A 10 10 GLU CA C 10 56.759 55.612 1.147 2
1 23 . 1 1 A 10 10 GLU HA H 10 4.223 4.672 -0.449 2
1 24 . 1 1 A 10 10 GLU CB C 10 30.471 31.280 -0.809 2
1 30 . 1 1 A 10 10 GLU C C 10 176.269 175.576 0.694 2
1 31 . 1 1 A 11 11 LYS N N 11 122.538 123.579 -1.041 2
1 32 . 1 1 A 11 11 LYS H H 11 8.294 8.157 0.137 2
1 33 . 1 1 A 11 11 LYS CA C 11 53.942 54.283 -0.341 2
1 34 . 1 1 A 11 11 LYS HA H 11 4.522 4.514 0.008 2
1 35 . 1 1 A 11 11 LYS CB C 11 32.707 32.787 -0.080 2
1 47 . 1 1 A 11 11 LYS C C 11 174.065 176.511 -2.446 2
1 48 . 1 1 A 12 12 PRO CA C 12 63.244 64.703 -1.459 2
1 49 . 1 1 A 12 12 PRO HA H 12 4.306 4.247 0.059 2
1 50 . 1 1 A 12 12 PRO CB C 12 32.290 31.585 0.705 2
1 59 . 1 1 A 12 12 PRO C C 12 176.129 175.811 0.318 2
1 60 . 1 1 A 13 13 TYR N N 13 118.690 118.049 0.641 2
1 61 . 1 1 A 13 13 TYR H H 13 8.094 7.249 0.845 2
1 62 . 1 1 A 13 13 TYR CA C 13 57.656 57.052 0.604 2
1 63 . 1 1 A 13 13 TYR HA H 13 4.596 5.254 -0.658 2
1 64 . 1 1 A 13 13 TYR CB C 13 38.758 41.198 -2.440 2
1 75 . 1 1 A 13 13 TYR C C 13 174.523 174.539 -0.016 2
1 76 . 1 1 A 14 14 GLU N N 14 124.311 123.214 1.097 2
1 77 . 1 1 A 14 14 GLU H H 14 8.612 9.028 -0.416 2
1 78 . 1 1 A 14 14 GLU CA C 14 54.972 55.174 -0.202 2
1 79 . 1 1 A 14 14 GLU HA H 14 4.858 5.108 -0.250 2
1 80 . 1 1 A 14 14 GLU CB C 14 33.017 33.643 -0.626 2
1 86 . 1 1 A 14 14 GLU C C 14 175.370 174.964 0.406 2
1 87 . 1 1 A 15 15 CYS N N 15 126.829 125.333 1.496 2
1 88 . 1 1 A 15 15 CYS H H 15 9.299 9.289 0.010 2
1 89 . 1 1 A 15 15 CYS CA C 15 59.489 59.063 0.426 2
1 90 . 1 1 A 15 15 CYS HA H 15 4.615 4.740 -0.125 2
1 91 . 1 1 A 15 15 CYS CB C 15 29.588 28.772 0.816 2
1 94 . 1 1 A 15 15 CYS C C 15 177.251 175.679 1.572 2
1 95 . 1 1 A 16 16 SER CA C 16 60.823 58.956 1.867 2
1 96 . 1 1 A 16 16 SER HA H 16 4.324 4.584 -0.260 2
1 97 . 1 1 A 16 16 SER CB C 16 63.099 63.607 -0.508 2
1 100 . 1 1 A 16 16 SER C C 16 174.225 175.435 -1.210 2
1 101 . 1 1 A 17 17 ILE N N 17 123.696 121.102 2.594 2
1 102 . 1 1 A 17 17 ILE H H 17 8.607 7.562 1.045 2
1 103 . 1 1 A 17 17 ILE CA C 17 63.401 63.693 -0.292 2
1 104 . 1 1 A 17 17 ILE HA H 17 3.927 3.818 0.109 2
1 105 . 1 1 A 17 17 ILE CB C 17 38.358 38.365 -0.007 2
1 118 . 1 1 A 17 17 ILE C C 17 176.969 177.553 -0.584 2
1 119 . 1 1 A 18 18 CYS N N 18 115.697 115.769 -0.072 2
1 120 . 1 1 A 18 18 CYS H H 18 8.021 7.753 0.268 2
1 121 . 1 1 A 18 18 CYS CA C 18 58.229 59.641 -1.412 2
1 122 . 1 1 A 18 18 CYS HA H 18 5.203 4.580 0.623 2
1 123 . 1 1 A 18 18 CYS CB C 18 32.739 29.504 3.235 2
1 126 . 1 1 A 18 18 CYS C C 18 176.506 175.231 1.275 2
1 127 . 1 1 A 19 19 GLY N N 19 113.451 109.987 3.464 2
1 128 . 1 1 A 19 19 GLY H H 19 8.148 8.057 0.091 2
1 129 . 1 1 A 19 19 GLY CA C 19 46.236 45.227 1.009 2
1 130 . 1 1 A 19 19 GLY HA2 H 19 3.894 4.067 -0.173 2
1 131 . 1 1 A 19 19 GLY HA3 H 19 4.247 4.078 0.169 2
1 132 . 1 1 A 19 19 GLY C C 19 173.836 174.391 -0.555 2
1 133 . 1 1 A 20 20 LYS N N 20 122.918 120.148 2.769 2
1 134 . 1 1 A 20 20 LYS H H 20 7.971 7.647 0.324 2
1 135 . 1 1 A 20 20 LYS CA C 20 57.991 55.399 2.592 2
1 136 . 1 1 A 20 20 LYS HA H 20 4.043 4.457 -0.414 2
1 137 . 1 1 A 20 20 LYS CB C 20 33.587 34.286 -0.699 2
1 149 . 1 1 A 20 20 LYS C C 20 174.295 175.220 -0.925 2
1 150 . 1 1 A 21 21 SER N N 21 115.357 113.110 2.247 2
1 151 . 1 1 A 21 21 SER H H 21 7.819 8.295 -0.476 2
1 152 . 1 1 A 21 21 SER CA C 21 56.697 56.633 0.064 2
1 153 . 1 1 A 21 21 SER HA H 21 5.301 5.257 0.044 2
1 154 . 1 1 A 21 21 SER CB C 21 66.038 66.043 -0.005 2
1 157 . 1 1 A 21 21 SER C C 21 173.121 172.793 0.328 2
1 158 . 1 1 A 22 22 PHE N N 22 118.204 119.830 -1.626 2
1 159 . 1 1 A 22 22 PHE H H 22 8.662 9.011 -0.349 2
1 160 . 1 1 A 22 22 PHE CA C 22 57.284 56.533 0.751 2
1 161 . 1 1 A 22 22 PHE HA H 22 4.810 4.955 -0.145 2
1 162 . 1 1 A 22 22 PHE CB C 22 43.860 43.455 0.405 2
1 175 . 1 1 A 22 22 PHE C C 22 175.380 175.315 0.065 2
1 176 . 1 1 A 23 23 THR N N 23 114.460 113.474 0.986 2
1 177 . 1 1 A 23 23 THR H H 23 8.904 8.681 0.223 2
1 178 . 1 1 A 23 23 THR CA C 23 64.664 62.153 2.511 2
1 179 . 1 1 A 23 23 THR HA H 23 4.429 4.731 -0.302 2
1 180 . 1 1 A 23 23 THR CB C 23 69.577 69.415 0.162 2
1 186 . 1 1 A 23 23 THR C C 23 174.705 174.377 0.328 2
1 187 . 1 1 A 24 24 LYS N N 24 117.025 121.222 -4.197 2
1 188 . 1 1 A 24 24 LYS H H 24 7.637 7.566 0.071 2
1 189 . 1 1 A 24 24 LYS CA C 24 54.289 54.702 -0.413 2
1 190 . 1 1 A 24 24 LYS HA H 24 4.858 4.570 0.288 2
1 191 . 1 1 A 24 24 LYS CB C 24 35.986 34.641 1.345 2
1 203 . 1 1 A 24 24 LYS C C 24 176.551 176.133 0.418 2
1 204 . 1 1 A 25 25 LYS N N 25 127.352 126.046 1.306 2
1 205 . 1 1 A 25 25 LYS H H 25 8.516 8.406 0.110 2
1 206 . 1 1 A 25 25 LYS CA C 25 59.682 59.444 0.238 2
1 207 . 1 1 A 25 25 LYS HA H 25 2.925 2.930 -0.005 2
1 208 . 1 1 A 25 25 LYS CB C 25 31.703 31.684 0.019 2
1 220 . 1 1 A 25 25 LYS C C 25 178.182 177.689 0.494 2
1 221 . 1 1 A 26 26 SER CA C 26 60.759 61.430 -0.671 2
1 222 . 1 1 A 26 26 SER HA H 26 4.015 3.951 0.064 2
1 223 . 1 1 A 26 26 SER CB C 26 61.414 62.750 -1.336 2
1 226 . 1 1 A 26 26 SER C C 26 176.943 177.005 -0.062 2
1 227 . 1 1 A 27 27 GLN N N 27 120.004 121.350 -1.346 2
1 228 . 1 1 A 27 27 GLN H H 27 6.690 7.802 -1.112 2
1 229 . 1 1 A 27 27 GLN CA C 27 57.577 58.898 -1.321 2
1 230 . 1 1 A 27 27 GLN HA H 27 3.973 3.880 0.093 2
1 231 . 1 1 A 27 27 GLN CB C 27 28.433 28.088 0.345 2
1 240 . 1 1 A 27 27 GLN C C 27 178.831 178.072 0.759 2
1 241 . 1 1 A 28 28 LEU N N 28 121.687 121.293 0.394 2
1 242 . 1 1 A 28 28 LEU H H 28 6.973 7.369 -0.396 2
1 243 . 1 1 A 28 28 LEU CA C 28 57.775 57.608 0.167 2
1 244 . 1 1 A 28 28 LEU HA H 28 3.277 3.076 0.201 2
1 245 . 1 1 A 28 28 LEU CB C 28 40.177 41.590 -1.413 2
1 258 . 1 1 A 28 28 LEU C C 28 177.514 178.363 -0.849 2
1 259 . 1 1 A 29 29 HIS N N 29 118.184 117.902 0.282 2
1 260 . 1 1 A 29 29 HIS H H 29 8.049 8.052 -0.003 2
1 261 . 1 1 A 29 29 HIS CA C 29 59.106 59.211 -0.105 2
1 262 . 1 1 A 29 29 HIS HA H 29 4.409 4.185 0.224 2
1 263 . 1 1 A 29 29 HIS CB C 29 30.059 30.064 -0.005 2
1 270 . 1 1 A 29 29 HIS C C 29 178.350 177.853 0.497 2
1 271 . 1 1 A 30 30 VAL N N 30 118.277 119.060 -0.783 2
1 272 . 1 1 A 30 30 VAL H H 30 7.513 7.988 -0.475 2
1 273 . 1 1 A 30 30 VAL CA C 30 66.146 66.127 0.019 2
1 274 . 1 1 A 30 30 VAL HA H 30 3.665 3.471 0.194 2
1 275 . 1 1 A 30 30 VAL CB C 30 32.158 31.461 0.697 2
1 285 . 1 1 A 30 30 VAL C C 30 178.807 178.005 0.802 2
1 286 . 1 1 A 31 31 HIS N N 31 119.980 119.726 0.254 2
1 287 . 1 1 A 31 31 HIS H H 31 7.606 8.162 -0.556 2
1 288 . 1 1 A 31 31 HIS CA C 31 59.357 59.743 -0.386 2
1 289 . 1 1 A 31 31 HIS HA H 31 4.165 4.074 0.091 2
1 290 . 1 1 A 31 31 HIS CB C 31 28.519 29.457 -0.938 2
1 297 . 1 1 A 31 31 HIS C C 31 176.287 176.740 -0.453 2
1 298 . 1 1 A 32 32 GLN N N 32 114.428 117.522 -3.094 2
1 299 . 1 1 A 32 32 GLN H H 32 8.425 8.390 0.035 2
1 300 . 1 1 A 32 32 GLN CA C 32 59.301 59.238 0.063 2
1 301 . 1 1 A 32 32 GLN HA H 32 3.688 3.819 -0.131 2
1 302 . 1 1 A 32 32 GLN CB C 32 28.202 28.203 -0.001 2
1 311 . 1 1 A 32 32 GLN C C 32 177.554 178.474 -0.920 2
1 312 . 1 1 A 33 33 GLN N N 33 117.108 118.476 -1.368 2
1 313 . 1 1 A 33 33 GLN H H 33 7.239 7.859 -0.620 2
1 314 . 1 1 A 33 33 GLN CA C 33 57.802 58.815 -1.013 2
1 315 . 1 1 A 33 33 GLN HA H 33 4.073 4.006 0.067 2
1 316 . 1 1 A 33 33 GLN CB C 33 28.374 27.976 0.398 2
1 325 . 1 1 A 33 33 GLN C C 33 178.214 178.506 -0.292 2
1 326 . 1 1 A 34 34 ILE N N 34 116.246 120.892 -4.646 2
1 327 . 1 1 A 34 34 ILE H H 34 7.802 8.036 -0.234 2
1 328 . 1 1 A 34 34 ILE CA C 34 63.058 63.448 -0.390 2
1 329 . 1 1 A 34 34 ILE HA H 34 3.997 3.727 0.270 2
1 330 . 1 1 A 34 34 ILE CB C 34 37.744 37.495 0.249 2
1 343 . 1 1 A 34 34 ILE C C 34 177.303 177.063 0.240 2
1 344 . 1 1 A 35 35 HIS N N 35 117.300 118.208 -0.908 2
1 345 . 1 1 A 35 35 HIS H H 35 7.168 7.506 -0.338 2
1 346 . 1 1 A 35 35 HIS CA C 35 55.082 56.851 -1.769 2
1 347 . 1 1 A 35 35 HIS HA H 35 4.902 4.561 0.341 2
1 348 . 1 1 A 35 35 HIS CB C 35 28.700 29.621 -0.921 2
1 355 . 1 1 A 35 35 HIS C C 35 175.645 175.751 -0.106 2
1 356 . 1 1 A 36 36 THR N N 36 112.636 113.234 -0.598 2
1 357 . 1 1 A 36 36 THR H H 36 7.742 7.589 0.153 2
1 358 . 1 1 A 36 36 THR CA C 36 62.837 62.001 0.836 2
1 359 . 1 1 A 36 36 THR HA H 36 4.303 4.371 -0.068 2
1 360 . 1 1 A 36 36 THR CB C 36 69.713 69.478 0.235 2
1 366 . 1 1 A 36 36 THR C C 36 175.349 174.545 0.804 2
1 367 . 1 1 A 37 37 GLY N N 37 110.952 112.284 -1.332 2
1 368 . 1 1 A 37 37 GLY H H 37 8.329 8.284 0.045 2
1 369 . 1 1 A 37 37 GLY CA C 37 45.353 45.859 -0.506 2
1 370 . 1 1 A 37 37 GLY HA2 H 37 4.000 4.008 -0.008 2
1 371 . 1 1 A 37 37 GLY HA3 H 37 4.000 4.013 -0.013 2
1 372 . 1 1 A 37 37 GLY C C 37 174.021 173.620 0.400 2
1 373 . 1 1 A 38 38 GLU N N 38 120.547 120.321 0.226 2
1 374 . 1 1 A 38 38 GLU H H 38 8.063 8.216 -0.153 2
1 375 . 1 1 A 38 38 GLU CA C 38 56.431 55.845 0.586 2
1 376 . 1 1 A 38 38 GLU HA H 38 4.270 4.537 -0.267 2
1 377 . 1 1 A 38 38 GLU CB C 38 30.563 30.749 -0.186 2
1 383 . 1 1 A 38 38 GLU C C 38 176.207 175.652 0.555 2
1 384 . 1 1 A 39 39 LYS N N 39 123.687 122.938 0.749 2
1 385 . 1 1 A 39 39 LYS H H 39 8.412 8.371 0.041 2
1 386 . 1 1 A 39 39 LYS CA C 39 54.062 54.350 -0.288 2
1 387 . 1 1 A 39 39 LYS HA H 39 4.621 4.517 0.104 2
1 388 . 1 1 A 39 39 LYS CB C 39 32.571 33.014 -0.443 2
1 400 . 1 1 A 39 39 LYS C C 39 174.427 175.268 -0.841 2
1 401 . 1 1 A 40 40 PRO CA C 40 63.207 63.389 -0.182 2
1 402 . 1 1 A 40 40 PRO HA H 40 4.475 4.527 -0.053 2
1 403 . 1 1 A 40 40 PRO CB C 40 32.205 31.939 0.266 2
1 412 . 1 1 A 41 41 SER N N 41 116.537 115.640 0.897 2
1 413 . 1 1 A 41 41 SER H H 41 8.491 8.224 0.267 2
1 414 . 1 1 A 42 42 GLY CA C 42 44.661 45.571 -0.910 2
1 415 . 1 1 A 42 42 GLY HA2 H 42 4.174 4.187 -0.013 2
1 416 . 1 1 A 42 42 GLY HA3 H 42 4.114 4.188 -0.074 2
1 417 . 1 1 A 43 43 PRO CA C 43 63.206 63.210 -0.004 2
1 418 . 1 1 A 43 43 PRO HA H 43 4.479 4.554 -0.075 2
1 419 . 1 1 A 43 43 PRO CB C 43 32.187 31.779 0.408 2
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