data_10220_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10220
_Entry.PDB_ID 2EON
_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 HA2 H 7 4.033 3.999 0.034 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 4.033 4.008 0.025 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.569 175.014 -0.445 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.511 45.881 -0.370 1
1 5 . 1 1 1 A 8 8 THR H H 8 8.149 8.117 0.032 1
1 6 . 1 1 1 A 8 8 THR HA H 8 4.347 4.211 0.136 1
1 11 . 1 1 1 A 8 8 THR C C 8 175.234 174.702 0.532 1
1 12 . 1 1 1 A 8 8 THR CA C 8 61.859 64.559 -2.700 1
1 13 . 1 1 1 A 8 8 THR CB C 8 69.813 69.196 0.617 1
1 15 . 1 1 1 A 8 8 THR N N 8 112.732 115.800 -3.068 1
1 16 . 1 1 1 A 9 9 GLY H H 9 8.453 7.724 0.729 1
1 17 . 1 1 1 A 9 9 GLY HA2 H 9 3.962 4.045 -0.083 1
1 18 . 1 1 1 A 9 9 GLY HA3 H 9 3.910 4.049 -0.139 1
1 19 . 1 1 1 A 9 9 GLY C C 9 174.022 173.790 0.232 1
1 20 . 1 1 1 A 9 9 GLY CA C 9 45.333 45.142 0.191 1
1 21 . 1 1 1 A 9 9 GLY N N 9 110.884 108.582 2.302 1
1 22 . 1 1 1 A 10 10 GLU H H 10 8.181 8.597 -0.416 1
1 23 . 1 1 1 A 10 10 GLU HA H 10 4.169 4.158 0.011 1
1 28 . 1 1 1 A 10 10 GLU C C 10 176.268 176.383 -0.115 1
1 29 . 1 1 1 A 10 10 GLU CA C 10 56.763 56.536 0.227 1
1 30 . 1 1 1 A 10 10 GLU CB C 10 30.508 29.857 0.651 1
1 32 . 1 1 1 A 10 10 GLU N N 10 120.209 124.268 -4.059 1
1 33 . 1 1 1 A 11 11 LYS H H 11 8.281 8.567 -0.286 1
1 34 . 1 1 1 A 11 11 LYS HA H 11 4.497 4.260 0.237 1
1 43 . 1 1 1 A 11 11 LYS C C 11 174.193 176.591 -2.398 1
1 44 . 1 1 1 A 11 11 LYS CA C 11 53.986 54.437 -0.451 1
1 45 . 1 1 1 A 11 11 LYS CB C 11 33.388 31.760 1.628 1
1 49 . 1 1 1 A 11 11 LYS N N 11 121.517 123.390 -1.873 1
1 50 . 1 1 1 A 12 12 PRO HA H 12 4.228 4.391 -0.163 1
1 57 . 1 1 1 A 12 12 PRO C C 12 176.683 175.996 0.687 1
1 58 . 1 1 1 A 12 12 PRO CA C 12 63.784 64.824 -1.040 1
1 59 . 1 1 1 A 12 12 PRO CB C 12 32.369 31.952 0.417 1
1 62 . 1 1 1 A 13 13 TYR H H 13 7.625 7.327 0.298 1
1 63 . 1 1 1 A 13 13 TYR HA H 13 4.660 5.141 -0.481 1
1 70 . 1 1 1 A 13 13 TYR C C 13 174.316 174.801 -0.485 1
1 71 . 1 1 1 A 13 13 TYR CA C 13 57.467 57.477 -0.010 1
1 72 . 1 1 1 A 13 13 TYR CB C 13 38.002 41.278 -3.276 1
1 77 . 1 1 1 A 13 13 TYR N N 13 118.216 118.683 -0.467 1
1 78 . 1 1 1 A 14 14 LYS H H 14 8.546 8.740 -0.194 1
1 79 . 1 1 1 A 14 14 LYS HA H 14 4.958 5.082 -0.124 1
1 88 . 1 1 1 A 14 14 LYS C C 14 175.292 174.467 0.825 1
1 89 . 1 1 1 A 14 14 LYS CA C 14 55.108 55.786 -0.678 1
1 90 . 1 1 1 A 14 14 LYS CB C 14 35.439 36.114 -0.675 1
1 94 . 1 1 1 A 14 14 LYS N N 14 125.098 122.440 2.658 1
1 95 . 1 1 1 A 15 15 CYS H H 15 9.372 9.432 -0.060 1
1 96 . 1 1 1 A 15 15 CYS HA H 15 4.607 4.747 -0.140 1
1 99 . 1 1 1 A 15 15 CYS C C 15 177.767 174.826 2.941 1
1 100 . 1 1 1 A 15 15 CYS CA C 15 59.867 59.455 0.412 1
1 101 . 1 1 1 A 15 15 CYS CB C 15 29.766 28.921 0.845 1
1 102 . 1 1 1 A 15 15 CYS N N 15 127.555 124.072 3.483 1
1 103 . 1 1 1 A 16 16 GLN H H 16 9.804 8.968 0.836 1
1 104 . 1 1 1 A 16 16 GLN HA H 16 4.188 4.672 -0.484 1
1 111 . 1 1 1 A 16 16 GLN C C 16 175.874 177.398 -1.524 1
1 112 . 1 1 1 A 16 16 GLN CA C 16 57.670 56.855 0.815 1
1 113 . 1 1 1 A 16 16 GLN CB C 16 28.775 31.228 -2.453 1
1 115 . 1 1 1 A 16 16 GLN N N 16 131.405 122.784 8.621 1
1 117 . 1 1 1 A 17 17 VAL H H 17 9.009 8.045 0.964 1
1 118 . 1 1 1 A 17 17 VAL HA H 17 3.779 3.849 -0.070 1
1 126 . 1 1 1 A 17 17 VAL C C 17 177.068 177.203 -0.135 1
1 127 . 1 1 1 A 17 17 VAL CA C 17 65.146 64.364 0.782 1
1 128 . 1 1 1 A 17 17 VAL CB C 17 32.795 31.474 1.321 1
1 131 . 1 1 1 A 17 17 VAL N N 17 121.843 117.500 4.343 1
1 132 . 1 1 1 A 18 18 CYS H H 18 8.265 7.921 0.344 1
1 133 . 1 1 1 A 18 18 CYS HA H 18 5.152 4.647 0.505 1
1 136 . 1 1 1 A 18 18 CYS C C 18 176.385 175.976 0.409 1
1 137 . 1 1 1 A 18 18 CYS CA C 18 58.209 59.140 -0.931 1
1 138 . 1 1 1 A 18 18 CYS CB C 18 33.029 30.389 2.640 1
1 139 . 1 1 1 A 18 18 CYS N N 18 116.001 117.098 -1.097 1
1 140 . 1 1 1 A 19 19 GLY H H 19 7.873 8.285 -0.412 1
1 141 . 1 1 1 A 19 19 GLY HA2 H 19 4.264 3.954 0.310 1
1 142 . 1 1 1 A 19 19 GLY HA3 H 19 3.769 3.981 -0.212 1
1 143 . 1 1 1 A 19 19 GLY C C 19 173.353 174.757 -1.404 1
1 144 . 1 1 1 A 19 19 GLY CA C 19 46.218 45.622 0.596 1
1 145 . 1 1 1 A 19 19 GLY N N 19 113.243 110.522 2.721 1
1 146 . 1 1 1 A 20 20 LYS H H 20 8.152 7.521 0.631 1
1 147 . 1 1 1 A 20 20 LYS HA H 20 3.894 4.239 -0.345 1
1 156 . 1 1 1 A 20 20 LYS C C 20 173.528 175.077 -1.549 1
1 157 . 1 1 1 A 20 20 LYS CA C 20 58.349 56.399 1.950 1
1 158 . 1 1 1 A 20 20 LYS CB C 20 33.384 33.989 -0.605 1
1 162 . 1 1 1 A 20 20 LYS N N 20 124.409 120.245 4.164 1
1 163 . 1 1 1 A 21 21 ALA H H 21 7.969 7.870 0.099 1
1 164 . 1 1 1 A 21 21 ALA HA H 21 5.197 5.246 -0.049 1
1 168 . 1 1 1 A 21 21 ALA C C 21 175.930 174.887 1.043 1
1 169 . 1 1 1 A 21 21 ALA CA C 21 50.190 50.965 -0.775 1
1 170 . 1 1 1 A 21 21 ALA CB C 21 22.551 23.005 -0.454 1
1 171 . 1 1 1 A 21 21 ALA N N 21 126.194 120.387 5.807 1
1 172 . 1 1 1 A 22 22 PHE H H 22 8.822 8.608 0.214 1
1 173 . 1 1 1 A 22 22 PHE HA H 22 4.845 5.050 -0.205 1
1 181 . 1 1 1 A 22 22 PHE C C 22 175.249 175.762 -0.513 1
1 182 . 1 1 1 A 22 22 PHE CA C 22 57.103 56.438 0.665 1
1 183 . 1 1 1 A 22 22 PHE CB C 22 43.663 40.951 2.712 1
1 189 . 1 1 1 A 22 22 PHE N N 22 116.525 117.384 -0.859 1
1 190 . 1 1 1 A 23 23 ARG H H 23 9.561 8.574 0.987 1
1 191 . 1 1 1 A 23 23 ARG HA H 23 4.491 3.967 0.524 1
1 198 . 1 1 1 A 23 23 ARG C C 23 175.729 176.007 -0.278 1
1 199 . 1 1 1 A 23 23 ARG CA C 23 58.561 58.512 0.049 1
1 200 . 1 1 1 A 23 23 ARG CB C 23 31.997 29.755 2.242 1
1 203 . 1 1 1 A 23 23 ARG N N 23 120.820 123.529 -2.709 1
1 204 . 1 1 1 A 24 24 VAL H H 24 7.327 7.639 -0.312 1
1 205 . 1 1 1 A 24 24 VAL HA H 24 4.446 4.717 -0.271 1
1 213 . 1 1 1 A 24 24 VAL C C 24 176.671 175.933 0.738 1
1 214 . 1 1 1 A 24 24 VAL CA C 24 59.921 59.652 0.269 1
1 215 . 1 1 1 A 24 24 VAL CB C 24 34.347 34.502 -0.155 1
1 218 . 1 1 1 A 24 24 VAL N N 24 112.687 116.714 -4.027 1
1 219 . 1 1 1 A 25 25 SER H H 25 8.506 9.036 -0.530 1
1 220 . 1 1 1 A 25 25 SER HA H 25 2.942 4.254 -1.312 1
1 223 . 1 1 1 A 25 25 SER CA C 25 61.633 61.333 0.300 1
1 224 . 1 1 1 A 25 25 SER CB C 25 61.752 63.018 -1.266 1
1 225 . 1 1 1 A 25 25 SER N N 25 123.315 118.554 4.761 1
1 226 . 1 1 1 A 26 26 SER HA H 26 3.990 4.215 -0.225 1
1 229 . 1 1 1 A 26 26 SER CA C 26 61.102 61.493 -0.391 1
1 230 . 1 1 1 A 26 26 SER CB C 26 61.860 62.501 -0.641 1
1 231 . 1 1 1 A 27 27 HIS H H 27 7.148 8.393 -1.245 1
1 232 . 1 1 1 A 27 27 HIS HA H 27 4.405 4.232 0.173 1
1 237 . 1 1 1 A 27 27 HIS CA C 27 56.698 58.953 -2.255 1
1 238 . 1 1 1 A 27 27 HIS CB C 27 30.201 30.128 0.073 1
1 241 . 1 1 1 A 27 27 HIS N N 27 120.679 118.595 2.084 1
1 242 . 1 1 1 A 28 28 LEU H H 28 6.828 8.059 -1.231 1
1 243 . 1 1 1 A 28 28 LEU HA H 28 3.317 2.050 1.267 1
1 253 . 1 1 1 A 28 28 LEU C C 28 176.993 178.125 -1.132 1
1 254 . 1 1 1 A 28 28 LEU CA C 28 57.560 57.508 0.052 1
1 255 . 1 1 1 A 28 28 LEU CB C 28 39.868 41.485 -1.617 1
1 259 . 1 1 1 A 28 28 LEU N N 28 121.970 120.087 1.883 1
1 260 . 1 1 1 A 29 29 VAL H H 29 7.609 8.088 -0.479 1
1 261 . 1 1 1 A 29 29 VAL HA H 29 3.462 3.615 -0.153 1
1 269 . 1 1 1 A 29 29 VAL C C 29 179.326 177.788 1.538 1
1 270 . 1 1 1 A 29 29 VAL CA C 29 66.493 66.806 -0.313 1
1 271 . 1 1 1 A 29 29 VAL CB C 29 31.478 31.584 -0.106 1
1 274 . 1 1 1 A 29 29 VAL N N 29 118.483 118.852 -0.369 1
1 275 . 1 1 1 A 30 30 GLN H H 30 7.549 8.012 -0.463 1
1 276 . 1 1 1 A 30 30 GLN HA H 30 4.023 3.992 0.031 1
1 283 . 1 1 1 A 30 30 GLN C C 30 177.980 178.320 -0.340 1
1 284 . 1 1 1 A 30 30 GLN CA C 30 58.484 58.245 0.239 1
1 285 . 1 1 1 A 30 30 GLN CB C 30 28.527 28.575 -0.048 1
1 287 . 1 1 1 A 30 30 GLN N N 30 117.542 118.126 -0.584 1
1 289 . 1 1 1 A 31 31 HIS H H 31 7.580 7.761 -0.181 1
1 290 . 1 1 1 A 31 31 HIS HA H 31 4.246 4.130 0.116 1
1 295 . 1 1 1 A 31 31 HIS C C 31 175.449 176.729 -1.280 1
1 296 . 1 1 1 A 31 31 HIS CA C 31 58.704 58.280 0.424 1
1 297 . 1 1 1 A 31 31 HIS CB C 31 28.598 29.860 -1.262 1
1 300 . 1 1 1 A 31 31 HIS N N 31 119.448 120.762 -1.314 1
1 301 . 1 1 1 A 32 32 HIS H H 32 7.954 8.062 -0.108 1
1 302 . 1 1 1 A 32 32 HIS HA H 32 4.254 4.281 -0.027 1
1 307 . 1 1 1 A 32 32 HIS C C 32 177.828 176.129 1.699 1
1 308 . 1 1 1 A 32 32 HIS CA C 32 59.496 58.129 1.367 1
1 309 . 1 1 1 A 32 32 HIS CB C 32 30.445 29.344 1.101 1
1 312 . 1 1 1 A 32 32 HIS N N 32 116.367 115.760 0.607 1
1 313 . 1 1 1 A 33 33 SER H H 33 7.525 7.634 -0.109 1
1 314 . 1 1 1 A 33 33 SER HA H 33 4.227 4.601 -0.374 1
1 317 . 1 1 1 A 33 33 SER C C 33 176.339 174.801 1.538 1
1 318 . 1 1 1 A 33 33 SER CA C 33 61.325 57.962 3.363 1
1 319 . 1 1 1 A 33 33 SER CB C 33 63.097 63.759 -0.662 1
1 320 . 1 1 1 A 33 33 SER N N 33 113.090 112.458 0.632 1
1 321 . 1 1 1 A 34 34 VAL H H 34 7.958 7.699 0.259 1
1 322 . 1 1 1 A 34 34 VAL HA H 34 3.890 3.670 0.220 1
1 330 . 1 1 1 A 34 34 VAL C C 34 177.101 177.947 -0.846 1
1 331 . 1 1 1 A 34 34 VAL CA C 34 64.137 65.569 -1.432 1
1 332 . 1 1 1 A 34 34 VAL CB C 34 31.047 31.227 -0.180 1
1 335 . 1 1 1 A 34 34 VAL N N 34 119.960 120.642 -0.682 1
1 336 . 1 1 1 A 35 35 HIS H H 35 7.191 7.420 -0.229 1
1 337 . 1 1 1 A 35 35 HIS HA H 35 4.945 4.250 0.695 1
1 342 . 1 1 1 A 35 35 HIS C C 35 175.350 177.686 -2.336 1
1 343 . 1 1 1 A 35 35 HIS CA C 35 54.443 59.741 -5.298 1
1 344 . 1 1 1 A 35 35 HIS CB C 35 28.590 29.806 -1.216 1
1 347 . 1 1 1 A 35 35 HIS N N 35 116.514 121.171 -4.657 1
1 348 . 1 1 1 A 36 36 SER H H 36 7.762 8.228 -0.466 1
1 349 . 1 1 1 A 36 36 SER HA H 36 4.393 4.153 0.240 1
1 352 . 1 1 1 A 36 36 SER C C 36 175.126 176.268 -1.142 1
1 353 . 1 1 1 A 36 36 SER CA C 36 59.210 62.439 -3.229 1
1 354 . 1 1 1 A 36 36 SER CB C 36 63.861 62.797 1.064 1
1 355 . 1 1 1 A 36 36 SER N N 36 115.134 115.707 -0.573 1
1 356 . 1 1 1 A 37 37 GLY H H 37 8.425 8.113 0.312 1
1 357 . 1 1 1 A 37 37 GLY HA2 H 37 3.964 3.910 0.054 1
1 358 . 1 1 1 A 37 37 GLY HA3 H 37 3.907 3.917 -0.010 1
1 359 . 1 1 1 A 37 37 GLY C C 37 174.055 173.684 0.371 1
1 360 . 1 1 1 A 37 37 GLY CA C 37 45.265 47.038 -1.773 1
1 361 . 1 1 1 A 37 37 GLY N N 37 110.975 108.111 2.864 1
1 362 . 1 1 1 A 38 38 GLU H H 38 8.081 8.628 -0.547 1
1 363 . 1 1 1 A 38 38 GLU HA H 38 4.274 4.227 0.047 1
1 368 . 1 1 1 A 38 38 GLU C C 38 176.219 176.068 0.151 1
1 369 . 1 1 1 A 38 38 GLU CA C 38 56.377 57.393 -1.016 1
1 370 . 1 1 1 A 38 38 GLU CB C 38 30.527 30.367 0.160 1
1 372 . 1 1 1 A 38 38 GLU N N 38 120.346 126.839 -6.493 1
1 373 . 1 1 1 A 39 39 ARG H H 39 8.425 8.797 -0.372 1
1 374 . 1 1 1 A 39 39 ARG HA H 39 4.625 4.787 -0.162 1
1 381 . 1 1 1 A 39 39 ARG C C 39 174.184 174.276 -0.092 1
1 382 . 1 1 1 A 39 39 ARG CA C 39 53.852 53.139 0.713 1
1 383 . 1 1 1 A 39 39 ARG CB C 39 30.221 30.677 -0.456 1
1 386 . 1 1 1 A 39 39 ARG N N 39 123.241 126.706 -3.465 1
1 387 . 1 1 1 A 40 40 PRO HA H 40 4.466 4.759 -0.293 1
1 394 . 1 1 1 A 40 40 PRO CA C 40 63.232 62.620 0.612 1
1 395 . 1 1 1 A 40 40 PRO CB C 40 32.199 30.177 2.022 1
1 398 . 1 1 1 A 41 41 SER H H 41 8.477 8.262 0.215 1
1 399 . 1 1 1 A 41 41 SER HA H 41 4.465 4.945 -0.480 1
1 402 . 1 1 1 A 41 41 SER CA C 41 63.248 57.457 5.791 1
1 403 . 1 1 1 A 41 41 SER CB C 41 63.863 67.554 -3.691 1
1 404 . 1 1 1 A 41 41 SER N N 41 116.446 119.879 -3.433 1
1 405 . 1 1 1 A 42 42 GLY HA2 H 42 4.150 4.116 0.034 1
1 406 . 1 1 1 A 42 42 GLY HA3 H 42 4.111 4.117 -0.006 1
1 407 . 1 1 1 A 42 42 GLY CA C 42 44.694 44.445 0.249 1
1 408 . 1 1 1 A 43 43 PRO HA H 43 4.466 4.517 -0.051 1
1 415 . 1 1 1 A 43 43 PRO CA C 43 63.257 64.149 -0.892 1
1 416 . 1 1 1 A 43 43 PRO CB C 43 32.200 31.821 0.379 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 4.033 4.148 -0.115 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 4.033 4.155 -0.122 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.569 174.436 0.133 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.511 45.699 -0.188 1
1 5 . 2 1 1 A 8 8 THR H H 8 8.149 8.592 -0.443 1
1 6 . 2 1 1 A 8 8 THR HA H 8 4.347 4.156 0.191 1
1 11 . 2 1 1 A 8 8 THR C C 8 175.234 175.675 -0.441 1
1 12 . 2 1 1 A 8 8 THR CA C 8 61.859 65.101 -3.242 1
1 13 . 2 1 1 A 8 8 THR CB C 8 69.813 69.161 0.652 1
1 15 . 2 1 1 A 8 8 THR N N 8 112.732 117.875 -5.143 1
1 16 . 2 1 1 A 9 9 GLY H H 9 8.453 7.981 0.472 1
1 17 . 2 1 1 A 9 9 GLY HA2 H 9 3.962 3.799 0.163 1
1 18 . 2 1 1 A 9 9 GLY HA3 H 9 3.910 3.803 0.107 1
1 19 . 2 1 1 A 9 9 GLY C C 9 174.022 173.975 0.047 1
1 20 . 2 1 1 A 9 9 GLY CA C 9 45.333 46.347 -1.014 1
1 21 . 2 1 1 A 9 9 GLY N N 9 110.884 107.895 2.989 1
1 22 . 2 1 1 A 10 10 GLU H H 10 8.181 8.077 0.104 1
1 23 . 2 1 1 A 10 10 GLU HA H 10 4.169 4.150 0.019 1
1 28 . 2 1 1 A 10 10 GLU C C 10 176.268 176.094 0.174 1
1 29 . 2 1 1 A 10 10 GLU CA C 10 56.763 56.554 0.209 1
1 30 . 2 1 1 A 10 10 GLU CB C 10 30.508 29.774 0.734 1
1 32 . 2 1 1 A 10 10 GLU N N 10 120.209 123.761 -3.552 1
1 33 . 2 1 1 A 11 11 LYS H H 11 8.281 8.718 -0.437 1
1 34 . 2 1 1 A 11 11 LYS HA H 11 4.497 4.407 0.090 1
1 43 . 2 1 1 A 11 11 LYS C C 11 174.193 176.347 -2.154 1
1 44 . 2 1 1 A 11 11 LYS CA C 11 53.986 54.093 -0.107 1
1 45 . 2 1 1 A 11 11 LYS CB C 11 33.388 31.700 1.688 1
1 49 . 2 1 1 A 11 11 LYS N N 11 121.517 123.035 -1.518 1
1 50 . 2 1 1 A 12 12 PRO HA H 12 4.228 4.411 -0.183 1
1 57 . 2 1 1 A 12 12 PRO C C 12 176.683 176.030 0.653 1
1 58 . 2 1 1 A 12 12 PRO CA C 12 63.784 64.814 -1.030 1
1 59 . 2 1 1 A 12 12 PRO CB C 12 32.369 32.040 0.329 1
1 62 . 2 1 1 A 13 13 TYR H H 13 7.625 7.350 0.275 1
1 63 . 2 1 1 A 13 13 TYR HA H 13 4.660 5.145 -0.485 1
1 70 . 2 1 1 A 13 13 TYR C C 13 174.316 174.741 -0.425 1
1 71 . 2 1 1 A 13 13 TYR CA C 13 57.467 57.353 0.114 1
1 72 . 2 1 1 A 13 13 TYR CB C 13 38.002 41.446 -3.444 1
1 77 . 2 1 1 A 13 13 TYR N N 13 118.216 118.675 -0.459 1
1 78 . 2 1 1 A 14 14 LYS H H 14 8.546 8.701 -0.155 1
1 79 . 2 1 1 A 14 14 LYS HA H 14 4.958 5.018 -0.060 1
1 88 . 2 1 1 A 14 14 LYS C C 14 175.292 174.508 0.784 1
1 89 . 2 1 1 A 14 14 LYS CA C 14 55.108 55.956 -0.848 1
1 90 . 2 1 1 A 14 14 LYS CB C 14 35.439 35.551 -0.112 1
1 94 . 2 1 1 A 14 14 LYS N N 14 125.098 122.317 2.781 1
1 95 . 2 1 1 A 15 15 CYS H H 15 9.372 9.285 0.087 1
1 96 . 2 1 1 A 15 15 CYS HA H 15 4.607 4.703 -0.096 1
1 99 . 2 1 1 A 15 15 CYS C C 15 177.767 174.639 3.128 1
1 100 . 2 1 1 A 15 15 CYS CA C 15 59.867 59.540 0.327 1
1 101 . 2 1 1 A 15 15 CYS CB C 15 29.766 28.840 0.926 1
1 102 . 2 1 1 A 15 15 CYS N N 15 127.555 124.131 3.424 1
1 103 . 2 1 1 A 16 16 GLN H H 16 9.804 9.043 0.761 1
1 104 . 2 1 1 A 16 16 GLN HA H 16 4.188 4.695 -0.507 1
1 111 . 2 1 1 A 16 16 GLN C C 16 175.874 177.640 -1.766 1
1 112 . 2 1 1 A 16 16 GLN CA C 16 57.670 56.893 0.777 1
1 113 . 2 1 1 A 16 16 GLN CB C 16 28.775 30.955 -2.180 1
1 115 . 2 1 1 A 16 16 GLN N N 16 131.405 122.913 8.492 1
1 117 . 2 1 1 A 17 17 VAL H H 17 9.009 8.045 0.964 1
1 118 . 2 1 1 A 17 17 VAL HA H 17 3.779 3.823 -0.044 1
1 126 . 2 1 1 A 17 17 VAL C C 17 177.068 177.593 -0.525 1
1 127 . 2 1 1 A 17 17 VAL CA C 17 65.146 64.686 0.460 1
1 128 . 2 1 1 A 17 17 VAL CB C 17 32.795 31.598 1.197 1
1 131 . 2 1 1 A 17 17 VAL N N 17 121.843 116.899 4.944 1
1 132 . 2 1 1 A 18 18 CYS H H 18 8.265 7.935 0.330 1
1 133 . 2 1 1 A 18 18 CYS HA H 18 5.152 4.599 0.553 1
1 136 . 2 1 1 A 18 18 CYS C C 18 176.385 175.774 0.611 1
1 137 . 2 1 1 A 18 18 CYS CA C 18 58.209 59.417 -1.208 1
1 138 . 2 1 1 A 18 18 CYS CB C 18 33.029 30.049 2.980 1
1 139 . 2 1 1 A 18 18 CYS N N 18 116.001 117.296 -1.295 1
1 140 . 2 1 1 A 19 19 GLY H H 19 7.873 8.282 -0.409 1
1 141 . 2 1 1 A 19 19 GLY HA2 H 19 4.264 3.969 0.295 1
1 142 . 2 1 1 A 19 19 GLY HA3 H 19 3.769 3.995 -0.226 1
1 143 . 2 1 1 A 19 19 GLY C C 19 173.353 174.752 -1.399 1
1 144 . 2 1 1 A 19 19 GLY CA C 19 46.218 45.533 0.685 1
1 145 . 2 1 1 A 19 19 GLY N N 19 113.243 110.355 2.888 1
1 146 . 2 1 1 A 20 20 LYS H H 20 8.152 7.475 0.677 1
1 147 . 2 1 1 A 20 20 LYS HA H 20 3.894 4.226 -0.332 1
1 156 . 2 1 1 A 20 20 LYS C C 20 173.528 174.847 -1.319 1
1 157 . 2 1 1 A 20 20 LYS CA C 20 58.349 56.267 2.082 1
1 158 . 2 1 1 A 20 20 LYS CB C 20 33.384 34.024 -0.640 1
1 162 . 2 1 1 A 20 20 LYS N N 20 124.409 120.216 4.193 1
1 163 . 2 1 1 A 21 21 ALA H H 21 7.969 7.786 0.183 1
1 164 . 2 1 1 A 21 21 ALA HA H 21 5.197 5.103 0.094 1
1 168 . 2 1 1 A 21 21 ALA C C 21 175.930 174.799 1.131 1
1 169 . 2 1 1 A 21 21 ALA CA C 21 50.190 50.729 -0.539 1
1 170 . 2 1 1 A 21 21 ALA CB C 21 22.551 23.289 -0.738 1
1 171 . 2 1 1 A 21 21 ALA N N 21 126.194 120.455 5.739 1
1 172 . 2 1 1 A 22 22 PHE H H 22 8.822 8.570 0.252 1
1 173 . 2 1 1 A 22 22 PHE HA H 22 4.845 5.019 -0.174 1
1 181 . 2 1 1 A 22 22 PHE C C 22 175.249 175.729 -0.480 1
1 182 . 2 1 1 A 22 22 PHE CA C 22 57.103 56.405 0.698 1
1 183 . 2 1 1 A 22 22 PHE CB C 22 43.663 41.079 2.584 1
1 189 . 2 1 1 A 22 22 PHE N N 22 116.525 117.049 -0.524 1
1 190 . 2 1 1 A 23 23 ARG H H 23 9.561 8.604 0.957 1
1 191 . 2 1 1 A 23 23 ARG HA H 23 4.491 3.934 0.557 1
1 198 . 2 1 1 A 23 23 ARG C C 23 175.729 175.844 -0.115 1
1 199 . 2 1 1 A 23 23 ARG CA C 23 58.561 58.282 0.279 1
1 200 . 2 1 1 A 23 23 ARG CB C 23 31.997 29.890 2.107 1
1 203 . 2 1 1 A 23 23 ARG N N 23 120.820 123.492 -2.672 1
1 204 . 2 1 1 A 24 24 VAL H H 24 7.327 7.581 -0.254 1
1 205 . 2 1 1 A 24 24 VAL HA H 24 4.446 4.703 -0.257 1
1 213 . 2 1 1 A 24 24 VAL C C 24 176.671 175.901 0.770 1
1 214 . 2 1 1 A 24 24 VAL CA C 24 59.921 59.484 0.437 1
1 215 . 2 1 1 A 24 24 VAL CB C 24 34.347 34.381 -0.034 1
1 218 . 2 1 1 A 24 24 VAL N N 24 112.687 116.316 -3.629 1
1 219 . 2 1 1 A 25 25 SER H H 25 8.506 9.229 -0.723 1
1 220 . 2 1 1 A 25 25 SER HA H 25 2.942 4.224 -1.282 1
1 223 . 2 1 1 A 25 25 SER CA C 25 61.633 61.278 0.355 1
1 224 . 2 1 1 A 25 25 SER CB C 25 61.752 62.930 -1.178 1
1 225 . 2 1 1 A 25 25 SER N N 25 123.315 119.440 3.875 1
1 226 . 2 1 1 A 26 26 SER HA H 26 3.990 4.236 -0.246 1
1 229 . 2 1 1 A 26 26 SER CA C 26 61.102 61.276 -0.174 1
1 230 . 2 1 1 A 26 26 SER CB C 26 61.860 62.687 -0.827 1
1 231 . 2 1 1 A 27 27 HIS H H 27 7.148 8.421 -1.273 1
1 232 . 2 1 1 A 27 27 HIS HA H 27 4.405 4.221 0.184 1
1 237 . 2 1 1 A 27 27 HIS CA C 27 56.698 59.051 -2.353 1
1 238 . 2 1 1 A 27 27 HIS CB C 27 30.201 30.166 0.035 1
1 241 . 2 1 1 A 27 27 HIS N N 27 120.679 118.622 2.057 1
1 242 . 2 1 1 A 28 28 LEU H H 28 6.828 7.996 -1.168 1
1 243 . 2 1 1 A 28 28 LEU HA H 28 3.317 2.192 1.125 1
1 253 . 2 1 1 A 28 28 LEU C C 28 176.993 178.171 -1.178 1
1 254 . 2 1 1 A 28 28 LEU CA C 28 57.560 57.578 -0.018 1
1 255 . 2 1 1 A 28 28 LEU CB C 28 39.868 41.447 -1.579 1
1 259 . 2 1 1 A 28 28 LEU N N 28 121.970 119.838 2.132 1
1 260 . 2 1 1 A 29 29 VAL H H 29 7.609 7.983 -0.374 1
1 261 . 2 1 1 A 29 29 VAL HA H 29 3.462 3.603 -0.141 1
1 269 . 2 1 1 A 29 29 VAL C C 29 179.326 177.884 1.442 1
1 270 . 2 1 1 A 29 29 VAL CA C 29 66.493 66.773 -0.280 1
1 271 . 2 1 1 A 29 29 VAL CB C 29 31.478 31.540 -0.062 1
1 274 . 2 1 1 A 29 29 VAL N N 29 118.483 118.862 -0.379 1
1 275 . 2 1 1 A 30 30 GLN H H 30 7.549 8.083 -0.534 1
1 276 . 2 1 1 A 30 30 GLN HA H 30 4.023 3.976 0.047 1
1 283 . 2 1 1 A 30 30 GLN C C 30 177.980 177.921 0.059 1
1 284 . 2 1 1 A 30 30 GLN CA C 30 58.484 58.045 0.439 1
1 285 . 2 1 1 A 30 30 GLN CB C 30 28.527 28.596 -0.069 1
1 287 . 2 1 1 A 30 30 GLN N N 30 117.542 118.247 -0.705 1
1 289 . 2 1 1 A 31 31 HIS H H 31 7.580 7.740 -0.160 1
1 290 . 2 1 1 A 31 31 HIS HA H 31 4.246 4.089 0.157 1
1 295 . 2 1 1 A 31 31 HIS C C 31 175.449 176.691 -1.242 1
1 296 . 2 1 1 A 31 31 HIS CA C 31 58.704 57.986 0.718 1
1 297 . 2 1 1 A 31 31 HIS CB C 31 28.598 30.042 -1.444 1
1 300 . 2 1 1 A 31 31 HIS N N 31 119.448 120.862 -1.414 1
1 301 . 2 1 1 A 32 32 HIS H H 32 7.954 8.132 -0.178 1
1 302 . 2 1 1 A 32 32 HIS HA H 32 4.254 4.301 -0.047 1
1 307 . 2 1 1 A 32 32 HIS C C 32 177.828 176.121 1.707 1
1 308 . 2 1 1 A 32 32 HIS CA C 32 59.496 58.088 1.408 1
1 309 . 2 1 1 A 32 32 HIS CB C 32 30.445 29.365 1.080 1
1 312 . 2 1 1 A 32 32 HIS N N 32 116.367 116.029 0.338 1
1 313 . 2 1 1 A 33 33 SER H H 33 7.525 7.665 -0.140 1
1 314 . 2 1 1 A 33 33 SER HA H 33 4.227 4.622 -0.395 1
1 317 . 2 1 1 A 33 33 SER C C 33 176.339 174.539 1.800 1
1 318 . 2 1 1 A 33 33 SER CA C 33 61.325 57.934 3.391 1
1 319 . 2 1 1 A 33 33 SER CB C 33 63.097 63.684 -0.587 1
1 320 . 2 1 1 A 33 33 SER N N 33 113.090 112.003 1.087 1
1 321 . 2 1 1 A 34 34 VAL H H 34 7.958 7.529 0.429 1
1 322 . 2 1 1 A 34 34 VAL HA H 34 3.890 3.955 -0.065 1
1 330 . 2 1 1 A 34 34 VAL C C 34 177.101 176.918 0.183 1
1 331 . 2 1 1 A 34 34 VAL CA C 34 64.137 64.234 -0.097 1
1 332 . 2 1 1 A 34 34 VAL CB C 34 31.047 31.598 -0.551 1
1 335 . 2 1 1 A 34 34 VAL N N 34 119.960 119.176 0.784 1
1 336 . 2 1 1 A 35 35 HIS H H 35 7.191 7.346 -0.155 1
1 337 . 2 1 1 A 35 35 HIS HA H 35 4.945 4.477 0.468 1
1 342 . 2 1 1 A 35 35 HIS C C 35 175.350 176.029 -0.679 1
1 343 . 2 1 1 A 35 35 HIS CA C 35 54.443 57.780 -3.337 1
1 344 . 2 1 1 A 35 35 HIS CB C 35 28.590 31.225 -2.635 1
1 347 . 2 1 1 A 35 35 HIS N N 35 116.514 119.359 -2.845 1
1 348 . 2 1 1 A 36 36 SER H H 36 7.762 7.986 -0.224 1
1 349 . 2 1 1 A 36 36 SER HA H 36 4.393 4.127 0.266 1
1 352 . 2 1 1 A 36 36 SER C C 36 175.126 175.034 0.092 1
1 353 . 2 1 1 A 36 36 SER CA C 36 59.210 60.291 -1.081 1
1 354 . 2 1 1 A 36 36 SER CB C 36 63.861 63.671 0.190 1
1 355 . 2 1 1 A 36 36 SER N N 36 115.134 114.863 0.271 1
1 356 . 2 1 1 A 37 37 GLY H H 37 8.425 8.496 -0.071 1
1 357 . 2 1 1 A 37 37 GLY HA2 H 37 3.964 4.208 -0.244 1
1 358 . 2 1 1 A 37 37 GLY HA3 H 37 3.907 4.211 -0.304 1
1 359 . 2 1 1 A 37 37 GLY C C 37 174.055 171.488 2.567 1
1 360 . 2 1 1 A 37 37 GLY CA C 37 45.265 45.532 -0.267 1
1 361 . 2 1 1 A 37 37 GLY N N 37 110.975 110.773 0.202 1
1 362 . 2 1 1 A 38 38 GLU H H 38 8.081 8.530 -0.449 1
1 363 . 2 1 1 A 38 38 GLU HA H 38 4.274 4.756 -0.482 1
1 368 . 2 1 1 A 38 38 GLU C C 38 176.219 174.599 1.620 1
1 369 . 2 1 1 A 38 38 GLU CA C 38 56.377 56.118 0.259 1
1 370 . 2 1 1 A 38 38 GLU CB C 38 30.527 32.984 -2.457 1
1 372 . 2 1 1 A 38 38 GLU N N 38 120.346 122.535 -2.189 1
1 373 . 2 1 1 A 39 39 ARG H H 39 8.425 8.578 -0.153 1
1 374 . 2 1 1 A 39 39 ARG HA H 39 4.625 4.303 0.322 1
1 381 . 2 1 1 A 39 39 ARG C C 39 174.184 176.054 -1.870 1
1 382 . 2 1 1 A 39 39 ARG CA C 39 53.852 54.816 -0.964 1
1 383 . 2 1 1 A 39 39 ARG CB C 39 30.221 29.945 0.276 1
1 386 . 2 1 1 A 39 39 ARG N N 39 123.241 127.657 -4.416 1
1 387 . 2 1 1 A 40 40 PRO HA H 40 4.466 4.607 -0.141 1
1 394 . 2 1 1 A 40 40 PRO CA C 40 63.232 63.744 -0.512 1
1 395 . 2 1 1 A 40 40 PRO CB C 40 32.199 32.040 0.159 1
1 398 . 2 1 1 A 41 41 SER H H 41 8.477 7.658 0.819 1
1 399 . 2 1 1 A 41 41 SER HA H 41 4.465 4.364 0.101 1
1 402 . 2 1 1 A 41 41 SER CA C 41 63.248 58.595 4.653 1
1 403 . 2 1 1 A 41 41 SER CB C 41 63.863 64.033 -0.170 1
1 404 . 2 1 1 A 41 41 SER N N 41 116.446 114.050 2.396 1
1 405 . 2 1 1 A 42 42 GLY HA2 H 42 4.150 3.843 0.307 1
1 406 . 2 1 1 A 42 42 GLY HA3 H 42 4.111 3.843 0.268 1
1 407 . 2 1 1 A 42 42 GLY CA C 42 44.694 47.007 -2.313 1
1 408 . 2 1 1 A 43 43 PRO HA H 43 4.466 4.522 -0.056 1
1 415 . 2 1 1 A 43 43 PRO CA C 43 63.257 62.861 0.396 1
1 416 . 2 1 1 A 43 43 PRO CB C 43 32.200 32.013 0.187 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 4.033 4.072 -0.039 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 4.033 4.078 -0.045 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.569 173.742 0.827 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.511 46.023 -0.512 1
1 5 . 3 1 1 A 8 8 THR H H 8 8.149 8.859 -0.710 1
1 6 . 3 1 1 A 8 8 THR HA H 8 4.347 3.904 0.443 1
1 11 . 3 1 1 A 8 8 THR C C 8 175.234 173.660 1.574 1
1 12 . 3 1 1 A 8 8 THR CA C 8 61.859 62.989 -1.130 1
1 13 . 3 1 1 A 8 8 THR CB C 8 69.813 67.944 1.869 1
1 15 . 3 1 1 A 8 8 THR N N 8 112.732 118.087 -5.355 1
1 16 . 3 1 1 A 9 9 GLY H H 9 8.453 8.295 0.158 1
1 17 . 3 1 1 A 9 9 GLY HA2 H 9 3.962 4.065 -0.103 1
1 18 . 3 1 1 A 9 9 GLY HA3 H 9 3.910 4.066 -0.156 1
1 19 . 3 1 1 A 9 9 GLY C C 9 174.022 174.777 -0.755 1
1 20 . 3 1 1 A 9 9 GLY CA C 9 45.333 45.473 -0.140 1
1 21 . 3 1 1 A 9 9 GLY N N 9 110.884 106.800 4.084 1
1 22 . 3 1 1 A 10 10 GLU H H 10 8.181 8.137 0.044 1
1 23 . 3 1 1 A 10 10 GLU HA H 10 4.169 4.299 -0.130 1
1 28 . 3 1 1 A 10 10 GLU C C 10 176.268 176.347 -0.079 1
1 29 . 3 1 1 A 10 10 GLU CA C 10 56.763 55.970 0.793 1
1 30 . 3 1 1 A 10 10 GLU CB C 10 30.508 28.572 1.936 1
1 32 . 3 1 1 A 10 10 GLU N N 10 120.209 120.280 -0.071 1
1 33 . 3 1 1 A 11 11 LYS H H 11 8.281 8.023 0.258 1
1 34 . 3 1 1 A 11 11 LYS HA H 11 4.497 4.125 0.372 1
1 43 . 3 1 1 A 11 11 LYS C C 11 174.193 176.740 -2.547 1
1 44 . 3 1 1 A 11 11 LYS CA C 11 53.986 55.234 -1.248 1
1 45 . 3 1 1 A 11 11 LYS CB C 11 33.388 32.156 1.232 1
1 49 . 3 1 1 A 11 11 LYS N N 11 121.517 125.001 -3.484 1
1 50 . 3 1 1 A 12 12 PRO HA H 12 4.228 4.405 -0.177 1
1 57 . 3 1 1 A 12 12 PRO C C 12 176.683 175.913 0.770 1
1 58 . 3 1 1 A 12 12 PRO CA C 12 63.784 64.681 -0.897 1
1 59 . 3 1 1 A 12 12 PRO CB C 12 32.369 31.798 0.571 1
1 62 . 3 1 1 A 13 13 TYR H H 13 7.625 7.284 0.341 1
1 63 . 3 1 1 A 13 13 TYR HA H 13 4.660 5.137 -0.477 1
1 70 . 3 1 1 A 13 13 TYR C C 13 174.316 174.657 -0.341 1
1 71 . 3 1 1 A 13 13 TYR CA C 13 57.467 57.370 0.097 1
1 72 . 3 1 1 A 13 13 TYR CB C 13 38.002 41.269 -3.267 1
1 77 . 3 1 1 A 13 13 TYR N N 13 118.216 118.658 -0.442 1
1 78 . 3 1 1 A 14 14 LYS H H 14 8.546 8.715 -0.169 1
1 79 . 3 1 1 A 14 14 LYS HA H 14 4.958 5.028 -0.070 1
1 88 . 3 1 1 A 14 14 LYS C C 14 175.292 174.317 0.975 1
1 89 . 3 1 1 A 14 14 LYS CA C 14 55.108 55.742 -0.634 1
1 90 . 3 1 1 A 14 14 LYS CB C 14 35.439 35.914 -0.475 1
1 94 . 3 1 1 A 14 14 LYS N N 14 125.098 122.090 3.008 1
1 95 . 3 1 1 A 15 15 CYS H H 15 9.372 9.323 0.049 1
1 96 . 3 1 1 A 15 15 CYS HA H 15 4.607 4.800 -0.193 1
1 99 . 3 1 1 A 15 15 CYS C C 15 177.767 174.831 2.936 1
1 100 . 3 1 1 A 15 15 CYS CA C 15 59.867 59.625 0.242 1
1 101 . 3 1 1 A 15 15 CYS CB C 15 29.766 28.931 0.835 1
1 102 . 3 1 1 A 15 15 CYS N N 15 127.555 124.052 3.503 1
1 103 . 3 1 1 A 16 16 GLN H H 16 9.804 9.040 0.764 1
1 104 . 3 1 1 A 16 16 GLN HA H 16 4.188 4.691 -0.503 1
1 111 . 3 1 1 A 16 16 GLN C C 16 175.874 177.389 -1.515 1
1 112 . 3 1 1 A 16 16 GLN CA C 16 57.670 56.808 0.862 1
1 113 . 3 1 1 A 16 16 GLN CB C 16 28.775 31.211 -2.436 1
1 115 . 3 1 1 A 16 16 GLN N N 16 131.405 122.795 8.610 1
1 117 . 3 1 1 A 17 17 VAL H H 17 9.009 8.017 0.992 1
1 118 . 3 1 1 A 17 17 VAL HA H 17 3.779 3.839 -0.060 1
1 126 . 3 1 1 A 17 17 VAL C C 17 177.068 177.382 -0.314 1
1 127 . 3 1 1 A 17 17 VAL CA C 17 65.146 64.514 0.632 1
1 128 . 3 1 1 A 17 17 VAL CB C 17 32.795 31.476 1.319 1
1 131 . 3 1 1 A 17 17 VAL N N 17 121.843 117.701 4.142 1
1 132 . 3 1 1 A 18 18 CYS H H 18 8.265 7.946 0.319 1
1 133 . 3 1 1 A 18 18 CYS HA H 18 5.152 4.629 0.523 1
1 136 . 3 1 1 A 18 18 CYS C C 18 176.385 175.858 0.527 1
1 137 . 3 1 1 A 18 18 CYS CA C 18 58.209 59.236 -1.027 1
1 138 . 3 1 1 A 18 18 CYS CB C 18 33.029 30.159 2.870 1
1 139 . 3 1 1 A 18 18 CYS N N 18 116.001 117.055 -1.054 1
1 140 . 3 1 1 A 19 19 GLY H H 19 7.873 8.249 -0.376 1
1 141 . 3 1 1 A 19 19 GLY HA2 H 19 4.264 3.959 0.305 1
1 142 . 3 1 1 A 19 19 GLY HA3 H 19 3.769 3.985 -0.216 1
1 143 . 3 1 1 A 19 19 GLY C C 19 173.353 174.818 -1.465 1
1 144 . 3 1 1 A 19 19 GLY CA C 19 46.218 45.581 0.637 1
1 145 . 3 1 1 A 19 19 GLY N N 19 113.243 110.466 2.777 1
1 146 . 3 1 1 A 20 20 LYS H H 20 8.152 7.534 0.618 1
1 147 . 3 1 1 A 20 20 LYS HA H 20 3.894 4.291 -0.397 1
1 156 . 3 1 1 A 20 20 LYS C C 20 173.528 174.926 -1.398 1
1 157 . 3 1 1 A 20 20 LYS CA C 20 58.349 56.067 2.282 1
1 158 . 3 1 1 A 20 20 LYS CB C 20 33.384 34.181 -0.797 1
1 162 . 3 1 1 A 20 20 LYS N N 20 124.409 120.243 4.166 1
1 163 . 3 1 1 A 21 21 ALA H H 21 7.969 7.833 0.136 1
1 164 . 3 1 1 A 21 21 ALA HA H 21 5.197 5.019 0.178 1
1 168 . 3 1 1 A 21 21 ALA C C 21 175.930 174.979 0.951 1
1 169 . 3 1 1 A 21 21 ALA CA C 21 50.190 51.188 -0.998 1
1 170 . 3 1 1 A 21 21 ALA CB C 21 22.551 22.942 -0.391 1
1 171 . 3 1 1 A 21 21 ALA N N 21 126.194 120.714 5.480 1
1 172 . 3 1 1 A 22 22 PHE H H 22 8.822 8.530 0.292 1
1 173 . 3 1 1 A 22 22 PHE HA H 22 4.845 5.029 -0.184 1
1 181 . 3 1 1 A 22 22 PHE C C 22 175.249 175.797 -0.548 1
1 182 . 3 1 1 A 22 22 PHE CA C 22 57.103 56.435 0.668 1
1 183 . 3 1 1 A 22 22 PHE CB C 22 43.663 40.793 2.870 1
1 189 . 3 1 1 A 22 22 PHE N N 22 116.525 118.204 -1.679 1
1 190 . 3 1 1 A 23 23 ARG H H 23 9.561 8.528 1.033 1
1 191 . 3 1 1 A 23 23 ARG HA H 23 4.491 3.976 0.515 1
1 198 . 3 1 1 A 23 23 ARG C C 23 175.729 176.090 -0.361 1
1 199 . 3 1 1 A 23 23 ARG CA C 23 58.561 58.469 0.092 1
1 200 . 3 1 1 A 23 23 ARG CB C 23 31.997 29.795 2.202 1
1 203 . 3 1 1 A 23 23 ARG N N 23 120.820 123.644 -2.824 1
1 204 . 3 1 1 A 24 24 VAL H H 24 7.327 7.678 -0.351 1
1 205 . 3 1 1 A 24 24 VAL HA H 24 4.446 4.678 -0.232 1
1 213 . 3 1 1 A 24 24 VAL C C 24 176.671 175.818 0.853 1
1 214 . 3 1 1 A 24 24 VAL CA C 24 59.921 59.731 0.190 1
1 215 . 3 1 1 A 24 24 VAL CB C 24 34.347 34.290 0.057 1
1 218 . 3 1 1 A 24 24 VAL N N 24 112.687 116.732 -4.045 1
1 219 . 3 1 1 A 25 25 SER H H 25 8.506 9.105 -0.599 1
1 220 . 3 1 1 A 25 25 SER HA H 25 2.942 4.148 -1.206 1
1 223 . 3 1 1 A 25 25 SER CA C 25 61.633 61.125 0.508 1
1 224 . 3 1 1 A 25 25 SER CB C 25 61.752 62.716 -0.964 1
1 225 . 3 1 1 A 25 25 SER N N 25 123.315 119.339 3.976 1
1 226 . 3 1 1 A 26 26 SER HA H 26 3.990 4.113 -0.123 1
1 229 . 3 1 1 A 26 26 SER CA C 26 61.102 61.822 -0.720 1
1 230 . 3 1 1 A 26 26 SER CB C 26 61.860 63.055 -1.195 1
1 231 . 3 1 1 A 27 27 HIS H H 27 7.148 8.419 -1.271 1
1 232 . 3 1 1 A 27 27 HIS HA H 27 4.405 4.205 0.200 1
1 237 . 3 1 1 A 27 27 HIS CA C 27 56.698 59.254 -2.556 1
1 238 . 3 1 1 A 27 27 HIS CB C 27 30.201 30.076 0.125 1
1 241 . 3 1 1 A 27 27 HIS N N 27 120.679 118.804 1.875 1
1 242 . 3 1 1 A 28 28 LEU H H 28 6.828 7.892 -1.064 1
1 243 . 3 1 1 A 28 28 LEU HA H 28 3.317 2.160 1.157 1
1 253 . 3 1 1 A 28 28 LEU C C 28 176.993 178.208 -1.215 1
1 254 . 3 1 1 A 28 28 LEU CA C 28 57.560 57.575 -0.015 1
1 255 . 3 1 1 A 28 28 LEU CB C 28 39.868 41.200 -1.332 1
1 259 . 3 1 1 A 28 28 LEU N N 28 121.970 120.257 1.713 1
1 260 . 3 1 1 A 29 29 VAL H H 29 7.609 8.401 -0.792 1
1 261 . 3 1 1 A 29 29 VAL HA H 29 3.462 3.562 -0.100 1
1 269 . 3 1 1 A 29 29 VAL C C 29 179.326 177.506 1.820 1
1 270 . 3 1 1 A 29 29 VAL CA C 29 66.493 66.875 -0.382 1
1 271 . 3 1 1 A 29 29 VAL CB C 29 31.478 31.522 -0.044 1
1 274 . 3 1 1 A 29 29 VAL N N 29 118.483 118.625 -0.142 1
1 275 . 3 1 1 A 30 30 GLN H H 30 7.549 7.915 -0.366 1
1 276 . 3 1 1 A 30 30 GLN HA H 30 4.023 4.052 -0.029 1
1 283 . 3 1 1 A 30 30 GLN C C 30 177.980 178.207 -0.227 1
1 284 . 3 1 1 A 30 30 GLN CA C 30 58.484 58.218 0.266 1
1 285 . 3 1 1 A 30 30 GLN CB C 30 28.527 28.591 -0.064 1
1 287 . 3 1 1 A 30 30 GLN N N 30 117.542 118.066 -0.524 1
1 289 . 3 1 1 A 31 31 HIS H H 31 7.580 7.696 -0.116 1
1 290 . 3 1 1 A 31 31 HIS HA H 31 4.246 4.126 0.120 1
1 295 . 3 1 1 A 31 31 HIS C C 31 175.449 176.690 -1.241 1
1 296 . 3 1 1 A 31 31 HIS CA C 31 58.704 58.243 0.461 1
1 297 . 3 1 1 A 31 31 HIS CB C 31 28.598 29.913 -1.315 1
1 300 . 3 1 1 A 31 31 HIS N N 31 119.448 120.840 -1.392 1
1 301 . 3 1 1 A 32 32 HIS H H 32 7.954 7.680 0.274 1
1 302 . 3 1 1 A 32 32 HIS HA H 32 4.254 4.340 -0.086 1
1 307 . 3 1 1 A 32 32 HIS C C 32 177.828 175.383 2.445 1
1 308 . 3 1 1 A 32 32 HIS CA C 32 59.496 58.097 1.399 1
1 309 . 3 1 1 A 32 32 HIS CB C 32 30.445 29.359 1.086 1
1 312 . 3 1 1 A 32 32 HIS N N 32 116.367 115.737 0.630 1
1 313 . 3 1 1 A 33 33 SER H H 33 7.525 7.807 -0.282 1
1 314 . 3 1 1 A 33 33 SER HA H 33 4.227 4.544 -0.317 1
1 317 . 3 1 1 A 33 33 SER C C 33 176.339 175.025 1.314 1
1 318 . 3 1 1 A 33 33 SER CA C 33 61.325 57.316 4.009 1
1 319 . 3 1 1 A 33 33 SER CB C 33 63.097 63.336 -0.239 1
1 320 . 3 1 1 A 33 33 SER N N 33 113.090 114.375 -1.285 1
1 321 . 3 1 1 A 34 34 VAL H H 34 7.958 7.510 0.448 1
1 322 . 3 1 1 A 34 34 VAL HA H 34 3.890 3.829 0.061 1
1 330 . 3 1 1 A 34 34 VAL C C 34 177.101 177.999 -0.898 1
1 331 . 3 1 1 A 34 34 VAL CA C 34 64.137 65.483 -1.346 1
1 332 . 3 1 1 A 34 34 VAL CB C 34 31.047 31.304 -0.257 1
1 335 . 3 1 1 A 34 34 VAL N N 34 119.960 118.830 1.130 1
1 336 . 3 1 1 A 35 35 HIS H H 35 7.191 7.119 0.072 1
1 337 . 3 1 1 A 35 35 HIS HA H 35 4.945 4.396 0.549 1
1 342 . 3 1 1 A 35 35 HIS C C 35 175.350 175.770 -0.420 1
1 343 . 3 1 1 A 35 35 HIS CA C 35 54.443 58.503 -4.060 1
1 344 . 3 1 1 A 35 35 HIS CB C 35 28.590 30.719 -2.129 1
1 347 . 3 1 1 A 35 35 HIS N N 35 116.514 119.917 -3.403 1
1 348 . 3 1 1 A 36 36 SER H H 36 7.762 7.789 -0.027 1
1 349 . 3 1 1 A 36 36 SER HA H 36 4.393 4.320 0.073 1
1 352 . 3 1 1 A 36 36 SER C C 36 175.126 174.402 0.724 1
1 353 . 3 1 1 A 36 36 SER CA C 36 59.210 59.513 -0.303 1
1 354 . 3 1 1 A 36 36 SER CB C 36 63.861 62.874 0.987 1
1 355 . 3 1 1 A 36 36 SER N N 36 115.134 109.600 5.534 1
1 356 . 3 1 1 A 37 37 GLY H H 37 8.425 8.534 -0.109 1
1 357 . 3 1 1 A 37 37 GLY HA2 H 37 3.964 4.115 -0.151 1
1 358 . 3 1 1 A 37 37 GLY HA3 H 37 3.907 4.121 -0.214 1
1 359 . 3 1 1 A 37 37 GLY C C 37 174.055 172.369 1.686 1
1 360 . 3 1 1 A 37 37 GLY CA C 37 45.265 44.531 0.734 1
1 361 . 3 1 1 A 37 37 GLY N N 37 110.975 111.611 -0.636 1
1 362 . 3 1 1 A 38 38 GLU H H 38 8.081 8.596 -0.515 1
1 363 . 3 1 1 A 38 38 GLU HA H 38 4.274 5.187 -0.913 1
1 368 . 3 1 1 A 38 38 GLU C C 38 176.219 174.455 1.764 1
1 369 . 3 1 1 A 38 38 GLU CA C 38 56.377 54.403 1.974 1
1 370 . 3 1 1 A 38 38 GLU CB C 38 30.527 34.289 -3.762 1
1 372 . 3 1 1 A 38 38 GLU N N 38 120.346 121.115 -0.769 1
1 373 . 3 1 1 A 39 39 ARG H H 39 8.425 8.952 -0.527 1
1 374 . 3 1 1 A 39 39 ARG HA H 39 4.625 4.839 -0.214 1
1 381 . 3 1 1 A 39 39 ARG C C 39 174.184 175.760 -1.576 1
1 382 . 3 1 1 A 39 39 ARG CA C 39 53.852 54.108 -0.256 1
1 383 . 3 1 1 A 39 39 ARG CB C 39 30.221 33.361 -3.140 1
1 386 . 3 1 1 A 39 39 ARG N N 39 123.241 119.058 4.183 1
1 387 . 3 1 1 A 40 40 PRO HA H 40 4.466 4.558 -0.092 1
1 394 . 3 1 1 A 40 40 PRO CA C 40 63.232 63.658 -0.426 1
1 395 . 3 1 1 A 40 40 PRO CB C 40 32.199 32.003 0.196 1
1 398 . 3 1 1 A 41 41 SER H H 41 8.477 7.795 0.682 1
1 399 . 3 1 1 A 41 41 SER HA H 41 4.465 4.213 0.252 1
1 402 . 3 1 1 A 41 41 SER CA C 41 63.248 60.356 2.892 1
1 403 . 3 1 1 A 41 41 SER CB C 41 63.863 62.823 1.040 1
1 404 . 3 1 1 A 41 41 SER N N 41 116.446 115.169 1.277 1
1 405 . 3 1 1 A 42 42 GLY HA2 H 42 4.150 4.075 0.075 1
1 406 . 3 1 1 A 42 42 GLY HA3 H 42 4.111 4.077 0.034 1
1 407 . 3 1 1 A 42 42 GLY CA C 42 44.694 44.826 -0.132 1
1 408 . 3 1 1 A 43 43 PRO HA H 43 4.466 4.634 -0.168 1
1 415 . 3 1 1 A 43 43 PRO CA C 43 63.257 62.469 0.788 1
1 416 . 3 1 1 A 43 43 PRO CB C 43 32.200 32.962 -0.762 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 4.033 4.167 -0.134 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 4.033 4.171 -0.138 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.569 173.199 1.370 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.511 45.566 -0.055 1
1 5 . 4 1 1 A 8 8 THR H H 8 8.149 8.651 -0.502 1
1 6 . 4 1 1 A 8 8 THR HA H 8 4.347 4.436 -0.089 1
1 11 . 4 1 1 A 8 8 THR C C 8 175.234 173.711 1.523 1
1 12 . 4 1 1 A 8 8 THR CA C 8 61.859 61.175 0.684 1
1 13 . 4 1 1 A 8 8 THR CB C 8 69.813 67.893 1.920 1
1 15 . 4 1 1 A 8 8 THR N N 8 112.732 119.585 -6.853 1
1 16 . 4 1 1 A 9 9 GLY H H 9 8.453 7.227 1.226 1
1 17 . 4 1 1 A 9 9 GLY HA2 H 9 3.962 4.087 -0.125 1
1 18 . 4 1 1 A 9 9 GLY HA3 H 9 3.910 4.091 -0.181 1
1 19 . 4 1 1 A 9 9 GLY C C 9 174.022 172.664 1.358 1
1 20 . 4 1 1 A 9 9 GLY CA C 9 45.333 44.700 0.633 1
1 21 . 4 1 1 A 9 9 GLY N N 9 110.884 110.093 0.791 1
1 22 . 4 1 1 A 10 10 GLU H H 10 8.181 8.449 -0.268 1
1 23 . 4 1 1 A 10 10 GLU HA H 10 4.169 4.489 -0.320 1
1 28 . 4 1 1 A 10 10 GLU C C 10 176.268 176.624 -0.356 1
1 29 . 4 1 1 A 10 10 GLU CA C 10 56.763 55.899 0.864 1
1 30 . 4 1 1 A 10 10 GLU CB C 10 30.508 30.417 0.091 1
1 32 . 4 1 1 A 10 10 GLU N N 10 120.209 120.554 -0.345 1
1 33 . 4 1 1 A 11 11 LYS H H 11 8.281 8.531 -0.250 1
1 34 . 4 1 1 A 11 11 LYS HA H 11 4.497 4.196 0.301 1
1 43 . 4 1 1 A 11 11 LYS C C 11 174.193 176.714 -2.521 1
1 44 . 4 1 1 A 11 11 LYS CA C 11 53.986 54.867 -0.881 1
1 45 . 4 1 1 A 11 11 LYS CB C 11 33.388 31.648 1.740 1
1 49 . 4 1 1 A 11 11 LYS N N 11 121.517 125.050 -3.533 1
1 50 . 4 1 1 A 12 12 PRO HA H 12 4.228 4.403 -0.175 1
1 57 . 4 1 1 A 12 12 PRO C C 12 176.683 176.039 0.644 1
1 58 . 4 1 1 A 12 12 PRO CA C 12 63.784 65.172 -1.388 1
1 59 . 4 1 1 A 12 12 PRO CB C 12 32.369 31.885 0.484 1
1 62 . 4 1 1 A 13 13 TYR H H 13 7.625 7.414 0.211 1
1 63 . 4 1 1 A 13 13 TYR HA H 13 4.660 4.906 -0.246 1
1 70 . 4 1 1 A 13 13 TYR C C 13 174.316 175.340 -1.024 1
1 71 . 4 1 1 A 13 13 TYR CA C 13 57.467 58.031 -0.564 1
1 72 . 4 1 1 A 13 13 TYR CB C 13 38.002 40.376 -2.374 1
1 77 . 4 1 1 A 13 13 TYR N N 13 118.216 118.621 -0.405 1
1 78 . 4 1 1 A 14 14 LYS H H 14 8.546 8.703 -0.157 1
1 79 . 4 1 1 A 14 14 LYS HA H 14 4.958 5.025 -0.067 1
1 88 . 4 1 1 A 14 14 LYS C C 14 175.292 174.454 0.838 1
1 89 . 4 1 1 A 14 14 LYS CA C 14 55.108 55.836 -0.728 1
1 90 . 4 1 1 A 14 14 LYS CB C 14 35.439 35.936 -0.497 1
1 94 . 4 1 1 A 14 14 LYS N N 14 125.098 122.379 2.719 1
1 95 . 4 1 1 A 15 15 CYS H H 15 9.372 9.199 0.173 1
1 96 . 4 1 1 A 15 15 CYS HA H 15 4.607 4.758 -0.151 1
1 99 . 4 1 1 A 15 15 CYS C C 15 177.767 174.868 2.899 1
1 100 . 4 1 1 A 15 15 CYS CA C 15 59.867 59.614 0.253 1
1 101 . 4 1 1 A 15 15 CYS CB C 15 29.766 28.872 0.894 1
1 102 . 4 1 1 A 15 15 CYS N N 15 127.555 123.915 3.640 1
1 103 . 4 1 1 A 16 16 GLN H H 16 9.804 9.043 0.761 1
1 104 . 4 1 1 A 16 16 GLN HA H 16 4.188 4.686 -0.498 1
1 111 . 4 1 1 A 16 16 GLN C C 16 175.874 177.116 -1.242 1
1 112 . 4 1 1 A 16 16 GLN CA C 16 57.670 56.495 1.175 1
1 113 . 4 1 1 A 16 16 GLN CB C 16 28.775 31.077 -2.302 1
1 115 . 4 1 1 A 16 16 GLN N N 16 131.405 122.969 8.436 1
1 117 . 4 1 1 A 17 17 VAL H H 17 9.009 7.747 1.262 1
1 118 . 4 1 1 A 17 17 VAL HA H 17 3.779 3.940 -0.161 1
1 126 . 4 1 1 A 17 17 VAL C C 17 177.068 177.227 -0.159 1
1 127 . 4 1 1 A 17 17 VAL CA C 17 65.146 64.434 0.712 1
1 128 . 4 1 1 A 17 17 VAL CB C 17 32.795 31.768 1.027 1
1 131 . 4 1 1 A 17 17 VAL N N 17 121.843 117.168 4.675 1
1 132 . 4 1 1 A 18 18 CYS H H 18 8.265 7.950 0.315 1
1 133 . 4 1 1 A 18 18 CYS HA H 18 5.152 4.641 0.511 1
1 136 . 4 1 1 A 18 18 CYS C C 18 176.385 175.924 0.461 1
1 137 . 4 1 1 A 18 18 CYS CA C 18 58.209 59.218 -1.009 1
1 138 . 4 1 1 A 18 18 CYS CB C 18 33.029 30.244 2.785 1
1 139 . 4 1 1 A 18 18 CYS N N 18 116.001 117.113 -1.112 1
1 140 . 4 1 1 A 19 19 GLY H H 19 7.873 8.225 -0.352 1
1 141 . 4 1 1 A 19 19 GLY HA2 H 19 4.264 3.942 0.322 1
1 142 . 4 1 1 A 19 19 GLY HA3 H 19 3.769 3.966 -0.197 1
1 143 . 4 1 1 A 19 19 GLY C C 19 173.353 174.734 -1.381 1
1 144 . 4 1 1 A 19 19 GLY CA C 19 46.218 45.569 0.649 1
1 145 . 4 1 1 A 19 19 GLY N N 19 113.243 110.507 2.736 1
1 146 . 4 1 1 A 20 20 LYS H H 20 8.152 7.501 0.651 1
1 147 . 4 1 1 A 20 20 LYS HA H 20 3.894 4.196 -0.302 1
1 156 . 4 1 1 A 20 20 LYS C C 20 173.528 174.966 -1.438 1
1 157 . 4 1 1 A 20 20 LYS CA C 20 58.349 56.375 1.974 1
1 158 . 4 1 1 A 20 20 LYS CB C 20 33.384 34.029 -0.645 1
1 162 . 4 1 1 A 20 20 LYS N N 20 124.409 120.232 4.177 1
1 163 . 4 1 1 A 21 21 ALA H H 21 7.969 7.751 0.218 1
1 164 . 4 1 1 A 21 21 ALA HA H 21 5.197 5.172 0.025 1
1 168 . 4 1 1 A 21 21 ALA C C 21 175.930 174.695 1.235 1
1 169 . 4 1 1 A 21 21 ALA CA C 21 50.190 50.707 -0.517 1
1 170 . 4 1 1 A 21 21 ALA CB C 21 22.551 23.112 -0.561 1
1 171 . 4 1 1 A 21 21 ALA N N 21 126.194 120.614 5.580 1
1 172 . 4 1 1 A 22 22 PHE H H 22 8.822 8.742 0.080 1
1 173 . 4 1 1 A 22 22 PHE HA H 22 4.845 5.062 -0.217 1
1 181 . 4 1 1 A 22 22 PHE C C 22 175.249 175.799 -0.550 1
1 182 . 4 1 1 A 22 22 PHE CA C 22 57.103 56.270 0.833 1
1 183 . 4 1 1 A 22 22 PHE CB C 22 43.663 41.777 1.886 1
1 189 . 4 1 1 A 22 22 PHE N N 22 116.525 117.254 -0.729 1
1 190 . 4 1 1 A 23 23 ARG H H 23 9.561 8.819 0.742 1
1 191 . 4 1 1 A 23 23 ARG HA H 23 4.491 3.932 0.559 1
1 198 . 4 1 1 A 23 23 ARG C C 23 175.729 175.821 -0.092 1
1 199 . 4 1 1 A 23 23 ARG CA C 23 58.561 58.203 0.358 1
1 200 . 4 1 1 A 23 23 ARG CB C 23 31.997 29.920 2.077 1
1 203 . 4 1 1 A 23 23 ARG N N 23 120.820 123.789 -2.969 1
1 204 . 4 1 1 A 24 24 VAL H H 24 7.327 7.539 -0.212 1
1 205 . 4 1 1 A 24 24 VAL HA H 24 4.446 4.649 -0.203 1
1 213 . 4 1 1 A 24 24 VAL C C 24 176.671 176.118 0.553 1
1 214 . 4 1 1 A 24 24 VAL CA C 24 59.921 59.266 0.655 1
1 215 . 4 1 1 A 24 24 VAL CB C 24 34.347 34.279 0.068 1
1 218 . 4 1 1 A 24 24 VAL N N 24 112.687 116.342 -3.655 1
1 219 . 4 1 1 A 25 25 SER H H 25 8.506 9.267 -0.761 1
1 220 . 4 1 1 A 25 25 SER HA H 25 2.942 4.287 -1.345 1
1 223 . 4 1 1 A 25 25 SER CA C 25 61.633 61.576 0.057 1
1 224 . 4 1 1 A 25 25 SER CB C 25 61.752 62.673 -0.921 1
1 225 . 4 1 1 A 25 25 SER N N 25 123.315 120.899 2.416 1
1 226 . 4 1 1 A 26 26 SER HA H 26 3.990 4.134 -0.144 1
1 229 . 4 1 1 A 26 26 SER CA C 26 61.102 61.959 -0.857 1
1 230 . 4 1 1 A 26 26 SER CB C 26 61.860 62.928 -1.068 1
1 231 . 4 1 1 A 27 27 HIS H H 27 7.148 8.377 -1.229 1
1 232 . 4 1 1 A 27 27 HIS HA H 27 4.405 4.216 0.189 1
1 237 . 4 1 1 A 27 27 HIS CA C 27 56.698 59.283 -2.585 1
1 238 . 4 1 1 A 27 27 HIS CB C 27 30.201 29.972 0.229 1
1 241 . 4 1 1 A 27 27 HIS N N 27 120.679 119.079 1.600 1
1 242 . 4 1 1 A 28 28 LEU H H 28 6.828 7.378 -0.550 1
1 243 . 4 1 1 A 28 28 LEU HA H 28 3.317 2.252 1.065 1
1 253 . 4 1 1 A 28 28 LEU C C 28 176.993 178.344 -1.351 1
1 254 . 4 1 1 A 28 28 LEU CA C 28 57.560 57.658 -0.098 1
1 255 . 4 1 1 A 28 28 LEU CB C 28 39.868 41.061 -1.193 1
1 259 . 4 1 1 A 28 28 LEU N N 28 121.970 120.348 1.622 1
1 260 . 4 1 1 A 29 29 VAL H H 29 7.609 8.217 -0.608 1
1 261 . 4 1 1 A 29 29 VAL HA H 29 3.462 3.582 -0.120 1
1 269 . 4 1 1 A 29 29 VAL C C 29 179.326 177.532 1.794 1
1 270 . 4 1 1 A 29 29 VAL CA C 29 66.493 67.019 -0.526 1
1 271 . 4 1 1 A 29 29 VAL CB C 29 31.478 31.451 0.027 1
1 274 . 4 1 1 A 29 29 VAL N N 29 118.483 118.371 0.112 1
1 275 . 4 1 1 A 30 30 GLN H H 30 7.549 8.019 -0.470 1
1 276 . 4 1 1 A 30 30 GLN HA H 30 4.023 4.073 -0.050 1
1 283 . 4 1 1 A 30 30 GLN C C 30 177.980 178.000 -0.020 1
1 284 . 4 1 1 A 30 30 GLN CA C 30 58.484 58.456 0.028 1
1 285 . 4 1 1 A 30 30 GLN CB C 30 28.527 28.725 -0.198 1
1 287 . 4 1 1 A 30 30 GLN N N 30 117.542 117.881 -0.339 1
1 289 . 4 1 1 A 31 31 HIS H H 31 7.580 7.710 -0.130 1
1 290 . 4 1 1 A 31 31 HIS HA H 31 4.246 4.159 0.087 1
1 295 . 4 1 1 A 31 31 HIS C C 31 175.449 176.691 -1.242 1
1 296 . 4 1 1 A 31 31 HIS CA C 31 58.704 57.905 0.799 1
1 297 . 4 1 1 A 31 31 HIS CB C 31 28.598 30.113 -1.515 1
1 300 . 4 1 1 A 31 31 HIS N N 31 119.448 120.817 -1.369 1
1 301 . 4 1 1 A 32 32 HIS H H 32 7.954 7.754 0.200 1
1 302 . 4 1 1 A 32 32 HIS HA H 32 4.254 4.314 -0.060 1
1 307 . 4 1 1 A 32 32 HIS C C 32 177.828 175.701 2.127 1
1 308 . 4 1 1 A 32 32 HIS CA C 32 59.496 57.890 1.606 1
1 309 . 4 1 1 A 32 32 HIS CB C 32 30.445 29.092 1.353 1
1 312 . 4 1 1 A 32 32 HIS N N 32 116.367 115.866 0.501 1
1 313 . 4 1 1 A 33 33 SER H H 33 7.525 7.611 -0.086 1
1 314 . 4 1 1 A 33 33 SER HA H 33 4.227 4.413 -0.186 1
1 317 . 4 1 1 A 33 33 SER C C 33 176.339 175.767 0.572 1
1 318 . 4 1 1 A 33 33 SER CA C 33 61.325 57.706 3.619 1
1 319 . 4 1 1 A 33 33 SER CB C 33 63.097 64.175 -1.078 1
1 320 . 4 1 1 A 33 33 SER N N 33 113.090 111.074 2.016 1
1 321 . 4 1 1 A 34 34 VAL H H 34 7.958 7.468 0.490 1
1 322 . 4 1 1 A 34 34 VAL HA H 34 3.890 3.930 -0.040 1
1 330 . 4 1 1 A 34 34 VAL C C 34 177.101 176.055 1.046 1
1 331 . 4 1 1 A 34 34 VAL CA C 34 64.137 64.722 -0.585 1
1 332 . 4 1 1 A 34 34 VAL CB C 34 31.047 31.346 -0.299 1
1 335 . 4 1 1 A 34 34 VAL N N 34 119.960 120.422 -0.462 1
1 336 . 4 1 1 A 35 35 HIS H H 35 7.191 7.269 -0.078 1
1 337 . 4 1 1 A 35 35 HIS HA H 35 4.945 4.753 0.192 1
1 342 . 4 1 1 A 35 35 HIS C C 35 175.350 174.980 0.370 1
1 343 . 4 1 1 A 35 35 HIS CA C 35 54.443 55.165 -0.722 1
1 344 . 4 1 1 A 35 35 HIS CB C 35 28.590 29.237 -0.647 1
1 347 . 4 1 1 A 35 35 HIS N N 35 116.514 119.523 -3.009 1
1 348 . 4 1 1 A 36 36 SER H H 36 7.762 7.578 0.184 1
1 349 . 4 1 1 A 36 36 SER HA H 36 4.393 4.454 -0.061 1
1 352 . 4 1 1 A 36 36 SER C C 36 175.126 174.210 0.916 1
1 353 . 4 1 1 A 36 36 SER CA C 36 59.210 57.513 1.697 1
1 354 . 4 1 1 A 36 36 SER CB C 36 63.861 64.859 -0.998 1
1 355 . 4 1 1 A 36 36 SER N N 36 115.134 116.544 -1.410 1
1 356 . 4 1 1 A 37 37 GLY H H 37 8.425 8.480 -0.055 1
1 357 . 4 1 1 A 37 37 GLY HA2 H 37 3.964 4.255 -0.291 1
1 358 . 4 1 1 A 37 37 GLY HA3 H 37 3.907 4.259 -0.352 1
1 359 . 4 1 1 A 37 37 GLY C C 37 174.055 174.858 -0.803 1
1 360 . 4 1 1 A 37 37 GLY CA C 37 45.265 44.727 0.538 1
1 361 . 4 1 1 A 37 37 GLY N N 37 110.975 110.973 0.002 1
1 362 . 4 1 1 A 38 38 GLU H H 38 8.081 8.991 -0.910 1
1 363 . 4 1 1 A 38 38 GLU HA H 38 4.274 4.545 -0.271 1
1 368 . 4 1 1 A 38 38 GLU C C 38 176.219 175.619 0.600 1
1 369 . 4 1 1 A 38 38 GLU CA C 38 56.377 55.743 0.634 1
1 370 . 4 1 1 A 38 38 GLU CB C 38 30.527 31.075 -0.548 1
1 372 . 4 1 1 A 38 38 GLU N N 38 120.346 122.644 -2.298 1
1 373 . 4 1 1 A 39 39 ARG H H 39 8.425 7.562 0.863 1
1 374 . 4 1 1 A 39 39 ARG HA H 39 4.625 4.792 -0.167 1
1 381 . 4 1 1 A 39 39 ARG C C 39 174.184 173.670 0.514 1
1 382 . 4 1 1 A 39 39 ARG CA C 39 53.852 52.847 1.005 1
1 383 . 4 1 1 A 39 39 ARG CB C 39 30.221 33.030 -2.809 1
1 386 . 4 1 1 A 39 39 ARG N N 39 123.241 118.933 4.308 1
1 387 . 4 1 1 A 40 40 PRO HA H 40 4.466 4.468 -0.002 1
1 394 . 4 1 1 A 40 40 PRO CA C 40 63.232 62.654 0.578 1
1 395 . 4 1 1 A 40 40 PRO CB C 40 32.199 32.712 -0.513 1
1 398 . 4 1 1 A 41 41 SER H H 41 8.477 8.926 -0.449 1
1 399 . 4 1 1 A 41 41 SER HA H 41 4.465 4.292 0.173 1
1 402 . 4 1 1 A 41 41 SER CA C 41 63.248 58.989 4.259 1
1 403 . 4 1 1 A 41 41 SER CB C 41 63.863 61.025 2.838 1
1 404 . 4 1 1 A 41 41 SER N N 41 116.446 117.224 -0.778 1
1 405 . 4 1 1 A 42 42 GLY HA2 H 42 4.150 4.078 0.072 1
1 406 . 4 1 1 A 42 42 GLY HA3 H 42 4.111 4.078 0.033 1
1 407 . 4 1 1 A 42 42 GLY CA C 42 44.694 44.768 -0.074 1
1 408 . 4 1 1 A 43 43 PRO HA H 43 4.466 4.568 -0.102 1
1 415 . 4 1 1 A 43 43 PRO CA C 43 63.257 62.663 0.594 1
1 416 . 4 1 1 A 43 43 PRO CB C 43 32.200 32.656 -0.456 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 4.033 4.188 -0.155 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 4.033 4.191 -0.158 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.569 174.076 0.493 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.511 44.467 1.044 1
1 5 . 5 1 1 A 8 8 THR H H 8 8.149 8.695 -0.546 1
1 6 . 5 1 1 A 8 8 THR HA H 8 4.347 4.369 -0.022 1
1 11 . 5 1 1 A 8 8 THR C C 8 175.234 174.382 0.852 1
1 12 . 5 1 1 A 8 8 THR CA C 8 61.859 63.887 -2.028 1
1 13 . 5 1 1 A 8 8 THR CB C 8 69.813 70.210 -0.397 1
1 15 . 5 1 1 A 8 8 THR N N 8 112.732 115.022 -2.290 1
1 16 . 5 1 1 A 9 9 GLY H H 9 8.453 7.208 1.245 1
1 17 . 5 1 1 A 9 9 GLY HA2 H 9 3.962 4.010 -0.048 1
1 18 . 5 1 1 A 9 9 GLY HA3 H 9 3.910 4.014 -0.104 1
1 19 . 5 1 1 A 9 9 GLY C C 9 174.022 171.886 2.136 1
1 20 . 5 1 1 A 9 9 GLY CA C 9 45.333 46.012 -0.679 1
1 21 . 5 1 1 A 9 9 GLY N N 9 110.884 107.356 3.528 1
1 22 . 5 1 1 A 10 10 GLU H H 10 8.181 8.483 -0.302 1
1 23 . 5 1 1 A 10 10 GLU HA H 10 4.169 4.300 -0.131 1
1 28 . 5 1 1 A 10 10 GLU C C 10 176.268 177.012 -0.744 1
1 29 . 5 1 1 A 10 10 GLU CA C 10 56.763 56.587 0.176 1
1 30 . 5 1 1 A 10 10 GLU CB C 10 30.508 30.009 0.499 1
1 32 . 5 1 1 A 10 10 GLU N N 10 120.209 122.043 -1.834 1
1 33 . 5 1 1 A 11 11 LYS H H 11 8.281 8.349 -0.068 1
1 34 . 5 1 1 A 11 11 LYS HA H 11 4.497 4.127 0.370 1
1 43 . 5 1 1 A 11 11 LYS C C 11 174.193 176.720 -2.527 1
1 44 . 5 1 1 A 11 11 LYS CA C 11 53.986 55.223 -1.237 1
1 45 . 5 1 1 A 11 11 LYS CB C 11 33.388 31.982 1.406 1
1 49 . 5 1 1 A 11 11 LYS N N 11 121.517 123.384 -1.867 1
1 50 . 5 1 1 A 12 12 PRO HA H 12 4.228 4.420 -0.192 1
1 57 . 5 1 1 A 12 12 PRO C C 12 176.683 175.975 0.708 1
1 58 . 5 1 1 A 12 12 PRO CA C 12 63.784 64.829 -1.045 1
1 59 . 5 1 1 A 12 12 PRO CB C 12 32.369 31.871 0.498 1
1 62 . 5 1 1 A 13 13 TYR H H 13 7.625 7.333 0.292 1
1 63 . 5 1 1 A 13 13 TYR HA H 13 4.660 5.139 -0.479 1
1 70 . 5 1 1 A 13 13 TYR C C 13 174.316 174.785 -0.469 1
1 71 . 5 1 1 A 13 13 TYR CA C 13 57.467 57.429 0.038 1
1 72 . 5 1 1 A 13 13 TYR CB C 13 38.002 41.306 -3.304 1
1 77 . 5 1 1 A 13 13 TYR N N 13 118.216 118.676 -0.460 1
1 78 . 5 1 1 A 14 14 LYS H H 14 8.546 8.708 -0.162 1
1 79 . 5 1 1 A 14 14 LYS HA H 14 4.958 5.055 -0.097 1
1 88 . 5 1 1 A 14 14 LYS C C 14 175.292 174.493 0.799 1
1 89 . 5 1 1 A 14 14 LYS CA C 14 55.108 55.787 -0.679 1
1 90 . 5 1 1 A 14 14 LYS CB C 14 35.439 35.892 -0.453 1
1 94 . 5 1 1 A 14 14 LYS N N 14 125.098 122.448 2.650 1
1 95 . 5 1 1 A 15 15 CYS H H 15 9.372 9.158 0.214 1
1 96 . 5 1 1 A 15 15 CYS HA H 15 4.607 4.731 -0.124 1
1 99 . 5 1 1 A 15 15 CYS C C 15 177.767 174.841 2.926 1
1 100 . 5 1 1 A 15 15 CYS CA C 15 59.867 59.550 0.317 1
1 101 . 5 1 1 A 15 15 CYS CB C 15 29.766 28.948 0.818 1
1 102 . 5 1 1 A 15 15 CYS N N 15 127.555 124.113 3.442 1
1 103 . 5 1 1 A 16 16 GLN H H 16 9.804 9.043 0.761 1
1 104 . 5 1 1 A 16 16 GLN HA H 16 4.188 4.694 -0.506 1
1 111 . 5 1 1 A 16 16 GLN C C 16 175.874 177.344 -1.470 1
1 112 . 5 1 1 A 16 16 GLN CA C 16 57.670 56.703 0.967 1
1 113 . 5 1 1 A 16 16 GLN CB C 16 28.775 31.240 -2.465 1
1 115 . 5 1 1 A 16 16 GLN N N 16 131.405 122.842 8.563 1
1 117 . 5 1 1 A 17 17 VAL H H 17 9.009 7.918 1.091 1
1 118 . 5 1 1 A 17 17 VAL HA H 17 3.779 3.842 -0.063 1
1 126 . 5 1 1 A 17 17 VAL C C 17 177.068 177.303 -0.235 1
1 127 . 5 1 1 A 17 17 VAL CA C 17 65.146 64.481 0.665 1
1 128 . 5 1 1 A 17 17 VAL CB C 17 32.795 31.479 1.316 1
1 131 . 5 1 1 A 17 17 VAL N N 17 121.843 117.349 4.494 1
1 132 . 5 1 1 A 18 18 CYS H H 18 8.265 7.961 0.304 1
1 133 . 5 1 1 A 18 18 CYS HA H 18 5.152 4.638 0.514 1
1 136 . 5 1 1 A 18 18 CYS C C 18 176.385 176.010 0.375 1
1 137 . 5 1 1 A 18 18 CYS CA C 18 58.209 59.247 -1.038 1
1 138 . 5 1 1 A 18 18 CYS CB C 18 33.029 30.231 2.798 1
1 139 . 5 1 1 A 18 18 CYS N N 18 116.001 117.098 -1.097 1
1 140 . 5 1 1 A 19 19 GLY H H 19 7.873 8.230 -0.357 1
1 141 . 5 1 1 A 19 19 GLY HA2 H 19 4.264 3.953 0.311 1
1 142 . 5 1 1 A 19 19 GLY HA3 H 19 3.769 3.979 -0.210 1
1 143 . 5 1 1 A 19 19 GLY C C 19 173.353 174.842 -1.489 1
1 144 . 5 1 1 A 19 19 GLY CA C 19 46.218 45.679 0.539 1
1 145 . 5 1 1 A 19 19 GLY N N 19 113.243 110.514 2.729 1
1 146 . 5 1 1 A 20 20 LYS H H 20 8.152 7.513 0.639 1
1 147 . 5 1 1 A 20 20 LYS HA H 20 3.894 4.233 -0.339 1
1 156 . 5 1 1 A 20 20 LYS C C 20 173.528 174.761 -1.233 1
1 157 . 5 1 1 A 20 20 LYS CA C 20 58.349 56.031 2.318 1
1 158 . 5 1 1 A 20 20 LYS CB C 20 33.384 34.041 -0.657 1
1 162 . 5 1 1 A 20 20 LYS N N 20 124.409 120.196 4.213 1
1 163 . 5 1 1 A 21 21 ALA H H 21 7.969 7.704 0.265 1
1 164 . 5 1 1 A 21 21 ALA HA H 21 5.197 5.166 0.031 1
1 168 . 5 1 1 A 21 21 ALA C C 21 175.930 174.693 1.237 1
1 169 . 5 1 1 A 21 21 ALA CA C 21 50.190 50.694 -0.504 1
1 170 . 5 1 1 A 21 21 ALA CB C 21 22.551 23.130 -0.579 1
1 171 . 5 1 1 A 21 21 ALA N N 21 126.194 120.354 5.840 1
1 172 . 5 1 1 A 22 22 PHE H H 22 8.822 8.606 0.216 1
1 173 . 5 1 1 A 22 22 PHE HA H 22 4.845 5.043 -0.198 1
1 181 . 5 1 1 A 22 22 PHE C C 22 175.249 175.755 -0.506 1
1 182 . 5 1 1 A 22 22 PHE CA C 22 57.103 56.425 0.678 1
1 183 . 5 1 1 A 22 22 PHE CB C 22 43.663 41.099 2.564 1
1 189 . 5 1 1 A 22 22 PHE N N 22 116.525 117.388 -0.863 1
1 190 . 5 1 1 A 23 23 ARG H H 23 9.561 8.764 0.797 1
1 191 . 5 1 1 A 23 23 ARG HA H 23 4.491 3.942 0.549 1
1 198 . 5 1 1 A 23 23 ARG C C 23 175.729 175.857 -0.128 1
1 199 . 5 1 1 A 23 23 ARG CA C 23 58.561 58.358 0.203 1
1 200 . 5 1 1 A 23 23 ARG CB C 23 31.997 29.944 2.053 1
1 203 . 5 1 1 A 23 23 ARG N N 23 120.820 123.522 -2.702 1
1 204 . 5 1 1 A 24 24 VAL H H 24 7.327 7.573 -0.246 1
1 205 . 5 1 1 A 24 24 VAL HA H 24 4.446 4.743 -0.297 1
1 213 . 5 1 1 A 24 24 VAL C C 24 176.671 175.885 0.786 1
1 214 . 5 1 1 A 24 24 VAL CA C 24 59.921 59.309 0.612 1
1 215 . 5 1 1 A 24 24 VAL CB C 24 34.347 34.235 0.112 1
1 218 . 5 1 1 A 24 24 VAL N N 24 112.687 116.618 -3.931 1
1 219 . 5 1 1 A 25 25 SER H H 25 8.506 9.124 -0.618 1
1 220 . 5 1 1 A 25 25 SER HA H 25 2.942 4.139 -1.197 1
1 223 . 5 1 1 A 25 25 SER CA C 25 61.633 61.220 0.413 1
1 224 . 5 1 1 A 25 25 SER CB C 25 61.752 62.555 -0.803 1
1 225 . 5 1 1 A 25 25 SER N N 25 123.315 119.852 3.463 1
1 226 . 5 1 1 A 26 26 SER HA H 26 3.990 4.108 -0.118 1
1 229 . 5 1 1 A 26 26 SER CA C 26 61.102 61.816 -0.714 1
1 230 . 5 1 1 A 26 26 SER CB C 26 61.860 62.998 -1.138 1
1 231 . 5 1 1 A 27 27 HIS H H 27 7.148 8.444 -1.296 1
1 232 . 5 1 1 A 27 27 HIS HA H 27 4.405 4.224 0.181 1
1 237 . 5 1 1 A 27 27 HIS CA C 27 56.698 59.253 -2.555 1
1 238 . 5 1 1 A 27 27 HIS CB C 27 30.201 30.027 0.174 1
1 241 . 5 1 1 A 27 27 HIS N N 27 120.679 118.858 1.821 1
1 242 . 5 1 1 A 28 28 LEU H H 28 6.828 7.855 -1.027 1
1 243 . 5 1 1 A 28 28 LEU HA H 28 3.317 2.224 1.093 1
1 253 . 5 1 1 A 28 28 LEU C C 28 176.993 178.332 -1.339 1
1 254 . 5 1 1 A 28 28 LEU CA C 28 57.560 57.657 -0.097 1
1 255 . 5 1 1 A 28 28 LEU CB C 28 39.868 41.274 -1.406 1
1 259 . 5 1 1 A 28 28 LEU N N 28 121.970 120.367 1.603 1
1 260 . 5 1 1 A 29 29 VAL H H 29 7.609 8.473 -0.864 1
1 261 . 5 1 1 A 29 29 VAL HA H 29 3.462 3.564 -0.102 1
1 269 . 5 1 1 A 29 29 VAL C C 29 179.326 177.749 1.577 1
1 270 . 5 1 1 A 29 29 VAL CA C 29 66.493 66.866 -0.373 1
1 271 . 5 1 1 A 29 29 VAL CB C 29 31.478 31.556 -0.078 1
1 274 . 5 1 1 A 29 29 VAL N N 29 118.483 118.698 -0.215 1
1 275 . 5 1 1 A 30 30 GLN H H 30 7.549 7.994 -0.445 1
1 276 . 5 1 1 A 30 30 GLN HA H 30 4.023 4.014 0.009 1
1 283 . 5 1 1 A 30 30 GLN C C 30 177.980 178.181 -0.201 1
1 284 . 5 1 1 A 30 30 GLN CA C 30 58.484 58.148 0.336 1
1 285 . 5 1 1 A 30 30 GLN CB C 30 28.527 28.619 -0.092 1
1 287 . 5 1 1 A 30 30 GLN N N 30 117.542 118.269 -0.727 1
1 289 . 5 1 1 A 31 31 HIS H H 31 7.580 7.620 -0.040 1
1 290 . 5 1 1 A 31 31 HIS HA H 31 4.246 4.126 0.120 1
1 295 . 5 1 1 A 31 31 HIS C C 31 175.449 176.682 -1.233 1
1 296 . 5 1 1 A 31 31 HIS CA C 31 58.704 58.263 0.441 1
1 297 . 5 1 1 A 31 31 HIS CB C 31 28.598 29.891 -1.293 1
1 300 . 5 1 1 A 31 31 HIS N N 31 119.448 120.992 -1.544 1
1 301 . 5 1 1 A 32 32 HIS H H 32 7.954 7.939 0.015 1
1 302 . 5 1 1 A 32 32 HIS HA H 32 4.254 4.284 -0.030 1
1 307 . 5 1 1 A 32 32 HIS C C 32 177.828 175.635 2.193 1
1 308 . 5 1 1 A 32 32 HIS CA C 32 59.496 58.065 1.431 1
1 309 . 5 1 1 A 32 32 HIS CB C 32 30.445 29.353 1.092 1
1 312 . 5 1 1 A 32 32 HIS N N 32 116.367 115.707 0.660 1
1 313 . 5 1 1 A 33 33 SER H H 33 7.525 7.564 -0.039 1
1 314 . 5 1 1 A 33 33 SER HA H 33 4.227 4.385 -0.158 1
1 317 . 5 1 1 A 33 33 SER C C 33 176.339 176.322 0.017 1
1 318 . 5 1 1 A 33 33 SER CA C 33 61.325 57.774 3.551 1
1 319 . 5 1 1 A 33 33 SER CB C 33 63.097 64.271 -1.174 1
1 320 . 5 1 1 A 33 33 SER N N 33 113.090 110.950 2.140 1
1 321 . 5 1 1 A 34 34 VAL H H 34 7.958 7.537 0.421 1
1 322 . 5 1 1 A 34 34 VAL HA H 34 3.890 3.835 0.055 1
1 330 . 5 1 1 A 34 34 VAL C C 34 177.101 177.564 -0.463 1
1 331 . 5 1 1 A 34 34 VAL CA C 34 64.137 65.283 -1.146 1
1 332 . 5 1 1 A 34 34 VAL CB C 34 31.047 31.212 -0.165 1
1 335 . 5 1 1 A 34 34 VAL N N 34 119.960 121.420 -1.460 1
1 336 . 5 1 1 A 35 35 HIS H H 35 7.191 7.181 0.010 1
1 337 . 5 1 1 A 35 35 HIS HA H 35 4.945 4.423 0.522 1
1 342 . 5 1 1 A 35 35 HIS C C 35 175.350 177.532 -2.182 1
1 343 . 5 1 1 A 35 35 HIS CA C 35 54.443 59.028 -4.585 1
1 344 . 5 1 1 A 35 35 HIS CB C 35 28.590 30.391 -1.801 1
1 347 . 5 1 1 A 35 35 HIS N N 35 116.514 120.827 -4.313 1
1 348 . 5 1 1 A 36 36 SER H H 36 7.762 8.092 -0.330 1
1 349 . 5 1 1 A 36 36 SER HA H 36 4.393 4.197 0.196 1
1 352 . 5 1 1 A 36 36 SER C C 36 175.126 175.722 -0.596 1
1 353 . 5 1 1 A 36 36 SER CA C 36 59.210 62.439 -3.229 1
1 354 . 5 1 1 A 36 36 SER CB C 36 63.861 62.923 0.938 1
1 355 . 5 1 1 A 36 36 SER N N 36 115.134 115.150 -0.016 1
1 356 . 5 1 1 A 37 37 GLY H H 37 8.425 7.449 0.976 1
1 357 . 5 1 1 A 37 37 GLY HA2 H 37 3.964 4.087 -0.123 1
1 358 . 5 1 1 A 37 37 GLY HA3 H 37 3.907 4.095 -0.188 1
1 359 . 5 1 1 A 37 37 GLY C C 37 174.055 172.493 1.562 1
1 360 . 5 1 1 A 37 37 GLY CA C 37 45.265 45.786 -0.521 1
1 361 . 5 1 1 A 37 37 GLY N N 37 110.975 104.584 6.391 1
1 362 . 5 1 1 A 38 38 GLU H H 38 8.081 8.965 -0.884 1
1 363 . 5 1 1 A 38 38 GLU HA H 38 4.274 4.813 -0.539 1
1 368 . 5 1 1 A 38 38 GLU C C 38 176.219 174.757 1.462 1
1 369 . 5 1 1 A 38 38 GLU CA C 38 56.377 55.294 1.083 1
1 370 . 5 1 1 A 38 38 GLU CB C 38 30.527 30.490 0.037 1
1 372 . 5 1 1 A 38 38 GLU N N 38 120.346 122.640 -2.294 1
1 373 . 5 1 1 A 39 39 ARG H H 39 8.425 8.525 -0.100 1
1 374 . 5 1 1 A 39 39 ARG HA H 39 4.625 4.785 -0.160 1
1 381 . 5 1 1 A 39 39 ARG C C 39 174.184 175.806 -1.622 1
1 382 . 5 1 1 A 39 39 ARG CA C 39 53.852 52.517 1.335 1
1 383 . 5 1 1 A 39 39 ARG CB C 39 30.221 31.541 -1.320 1
1 386 . 5 1 1 A 39 39 ARG N N 39 123.241 126.234 -2.993 1
1 387 . 5 1 1 A 40 40 PRO HA H 40 4.466 4.474 -0.008 1
1 394 . 5 1 1 A 40 40 PRO CA C 40 63.232 64.297 -1.065 1
1 395 . 5 1 1 A 40 40 PRO CB C 40 32.199 31.912 0.287 1
1 398 . 5 1 1 A 41 41 SER H H 41 8.477 7.716 0.761 1
1 399 . 5 1 1 A 41 41 SER HA H 41 4.465 4.504 -0.039 1
1 402 . 5 1 1 A 41 41 SER CA C 41 63.248 57.458 5.790 1
1 403 . 5 1 1 A 41 41 SER CB C 41 63.863 65.105 -1.242 1
1 404 . 5 1 1 A 41 41 SER N N 41 116.446 111.588 4.858 1
1 405 . 5 1 1 A 42 42 GLY HA2 H 42 4.150 4.268 -0.118 1
1 406 . 5 1 1 A 42 42 GLY HA3 H 42 4.111 4.268 -0.157 1
1 407 . 5 1 1 A 42 42 GLY CA C 42 44.694 45.572 -0.878 1
1 408 . 5 1 1 A 43 43 PRO HA H 43 4.466 4.706 -0.240 1
1 415 . 5 1 1 A 43 43 PRO CA C 43 63.257 62.641 0.616 1
1 416 . 5 1 1 A 43 43 PRO CB C 43 32.200 31.816 0.384 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 4.033 4.202 -0.169 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 4.033 4.204 -0.171 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.569 174.359 0.210 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.511 45.400 0.111 1
1 5 . 6 1 1 A 8 8 THR H H 8 8.149 8.501 -0.352 1
1 6 . 6 1 1 A 8 8 THR HA H 8 4.347 4.314 0.033 1
1 11 . 6 1 1 A 8 8 THR C C 8 175.234 174.081 1.153 1
1 12 . 6 1 1 A 8 8 THR CA C 8 61.859 64.652 -2.793 1
1 13 . 6 1 1 A 8 8 THR CB C 8 69.813 70.225 -0.412 1
1 15 . 6 1 1 A 8 8 THR N N 8 112.732 115.508 -2.776 1
1 16 . 6 1 1 A 9 9 GLY H H 9 8.453 7.705 0.748 1
1 17 . 6 1 1 A 9 9 GLY HA2 H 9 3.962 4.031 -0.069 1
1 18 . 6 1 1 A 9 9 GLY HA3 H 9 3.910 4.035 -0.125 1
1 19 . 6 1 1 A 9 9 GLY C C 9 174.022 171.876 2.146 1
1 20 . 6 1 1 A 9 9 GLY CA C 9 45.333 44.847 0.486 1
1 21 . 6 1 1 A 9 9 GLY N N 9 110.884 108.045 2.839 1
1 22 . 6 1 1 A 10 10 GLU H H 10 8.181 8.421 -0.240 1
1 23 . 6 1 1 A 10 10 GLU HA H 10 4.169 4.408 -0.239 1
1 28 . 6 1 1 A 10 10 GLU C C 10 176.268 176.594 -0.326 1
1 29 . 6 1 1 A 10 10 GLU CA C 10 56.763 56.454 0.309 1
1 30 . 6 1 1 A 10 10 GLU CB C 10 30.508 30.317 0.191 1
1 32 . 6 1 1 A 10 10 GLU N N 10 120.209 120.610 -0.401 1
1 33 . 6 1 1 A 11 11 LYS H H 11 8.281 8.558 -0.277 1
1 34 . 6 1 1 A 11 11 LYS HA H 11 4.497 4.250 0.247 1
1 43 . 6 1 1 A 11 11 LYS C C 11 174.193 176.611 -2.418 1
1 44 . 6 1 1 A 11 11 LYS CA C 11 53.986 54.609 -0.623 1
1 45 . 6 1 1 A 11 11 LYS CB C 11 33.388 31.779 1.609 1
1 49 . 6 1 1 A 11 11 LYS N N 11 121.517 124.638 -3.121 1
1 50 . 6 1 1 A 12 12 PRO HA H 12 4.228 4.343 -0.115 1
1 57 . 6 1 1 A 12 12 PRO C C 12 176.683 175.933 0.750 1
1 58 . 6 1 1 A 12 12 PRO CA C 12 63.784 64.789 -1.005 1
1 59 . 6 1 1 A 12 12 PRO CB C 12 32.369 31.841 0.528 1
1 62 . 6 1 1 A 13 13 TYR H H 13 7.625 7.330 0.295 1
1 63 . 6 1 1 A 13 13 TYR HA H 13 4.660 5.137 -0.477 1
1 70 . 6 1 1 A 13 13 TYR C C 13 174.316 174.745 -0.429 1
1 71 . 6 1 1 A 13 13 TYR CA C 13 57.467 57.511 -0.044 1
1 72 . 6 1 1 A 13 13 TYR CB C 13 38.002 41.317 -3.315 1
1 77 . 6 1 1 A 13 13 TYR N N 13 118.216 118.669 -0.453 1
1 78 . 6 1 1 A 14 14 LYS H H 14 8.546 8.758 -0.212 1
1 79 . 6 1 1 A 14 14 LYS HA H 14 4.958 5.106 -0.148 1
1 88 . 6 1 1 A 14 14 LYS C C 14 175.292 174.303 0.989 1
1 89 . 6 1 1 A 14 14 LYS CA C 14 55.108 55.683 -0.575 1
1 90 . 6 1 1 A 14 14 LYS CB C 14 35.439 36.092 -0.653 1
1 94 . 6 1 1 A 14 14 LYS N N 14 125.098 121.993 3.105 1
1 95 . 6 1 1 A 15 15 CYS H H 15 9.372 9.501 -0.129 1
1 96 . 6 1 1 A 15 15 CYS HA H 15 4.607 4.787 -0.180 1
1 99 . 6 1 1 A 15 15 CYS C C 15 177.767 174.821 2.946 1
1 100 . 6 1 1 A 15 15 CYS CA C 15 59.867 59.390 0.477 1
1 101 . 6 1 1 A 15 15 CYS CB C 15 29.766 29.055 0.711 1
1 102 . 6 1 1 A 15 15 CYS N N 15 127.555 124.022 3.533 1
1 103 . 6 1 1 A 16 16 GLN H H 16 9.804 9.040 0.764 1
1 104 . 6 1 1 A 16 16 GLN HA H 16 4.188 4.670 -0.482 1
1 111 . 6 1 1 A 16 16 GLN C C 16 175.874 177.481 -1.607 1
1 112 . 6 1 1 A 16 16 GLN CA C 16 57.670 56.861 0.809 1
1 113 . 6 1 1 A 16 16 GLN CB C 16 28.775 31.243 -2.468 1
1 115 . 6 1 1 A 16 16 GLN N N 16 131.405 122.762 8.643 1
1 117 . 6 1 1 A 17 17 VAL H H 17 9.009 8.007 1.002 1
1 118 . 6 1 1 A 17 17 VAL HA H 17 3.779 3.834 -0.055 1
1 126 . 6 1 1 A 17 17 VAL C C 17 177.068 177.333 -0.265 1
1 127 . 6 1 1 A 17 17 VAL CA C 17 65.146 64.496 0.650 1
1 128 . 6 1 1 A 17 17 VAL CB C 17 32.795 31.435 1.360 1
1 131 . 6 1 1 A 17 17 VAL N N 17 121.843 117.359 4.484 1
1 132 . 6 1 1 A 18 18 CYS H H 18 8.265 7.888 0.377 1
1 133 . 6 1 1 A 18 18 CYS HA H 18 5.152 4.642 0.510 1
1 136 . 6 1 1 A 18 18 CYS C C 18 176.385 176.038 0.347 1
1 137 . 6 1 1 A 18 18 CYS CA C 18 58.209 59.148 -0.939 1
1 138 . 6 1 1 A 18 18 CYS CB C 18 33.029 30.430 2.599 1
1 139 . 6 1 1 A 18 18 CYS N N 18 116.001 117.067 -1.066 1
1 140 . 6 1 1 A 19 19 GLY H H 19 7.873 8.217 -0.344 1
1 141 . 6 1 1 A 19 19 GLY HA2 H 19 4.264 3.955 0.309 1
1 142 . 6 1 1 A 19 19 GLY HA3 H 19 3.769 3.982 -0.213 1
1 143 . 6 1 1 A 19 19 GLY C C 19 173.353 174.846 -1.493 1
1 144 . 6 1 1 A 19 19 GLY CA C 19 46.218 45.684 0.534 1
1 145 . 6 1 1 A 19 19 GLY N N 19 113.243 110.521 2.722 1
1 146 . 6 1 1 A 20 20 LYS H H 20 8.152 7.541 0.611 1
1 147 . 6 1 1 A 20 20 LYS HA H 20 3.894 4.273 -0.379 1
1 156 . 6 1 1 A 20 20 LYS C C 20 173.528 175.013 -1.485 1
1 157 . 6 1 1 A 20 20 LYS CA C 20 58.349 56.320 2.029 1
1 158 . 6 1 1 A 20 20 LYS CB C 20 33.384 34.151 -0.767 1
1 162 . 6 1 1 A 20 20 LYS N N 20 124.409 120.356 4.053 1
1 163 . 6 1 1 A 21 21 ALA H H 21 7.969 7.922 0.047 1
1 164 . 6 1 1 A 21 21 ALA HA H 21 5.197 5.188 0.009 1
1 168 . 6 1 1 A 21 21 ALA C C 21 175.930 174.948 0.982 1
1 169 . 6 1 1 A 21 21 ALA CA C 21 50.190 51.218 -1.028 1
1 170 . 6 1 1 A 21 21 ALA CB C 21 22.551 22.743 -0.192 1
1 171 . 6 1 1 A 21 21 ALA N N 21 126.194 120.785 5.409 1
1 172 . 6 1 1 A 22 22 PHE H H 22 8.822 8.611 0.211 1
1 173 . 6 1 1 A 22 22 PHE HA H 22 4.845 5.016 -0.171 1
1 181 . 6 1 1 A 22 22 PHE C C 22 175.249 175.813 -0.564 1
1 182 . 6 1 1 A 22 22 PHE CA C 22 57.103 56.408 0.695 1
1 183 . 6 1 1 A 22 22 PHE CB C 22 43.663 41.095 2.568 1
1 189 . 6 1 1 A 22 22 PHE N N 22 116.525 118.207 -1.682 1
1 190 . 6 1 1 A 23 23 ARG H H 23 9.561 8.566 0.995 1
1 191 . 6 1 1 A 23 23 ARG HA H 23 4.491 4.004 0.487 1
1 198 . 6 1 1 A 23 23 ARG C C 23 175.729 176.063 -0.334 1
1 199 . 6 1 1 A 23 23 ARG CA C 23 58.561 58.484 0.077 1
1 200 . 6 1 1 A 23 23 ARG CB C 23 31.997 29.791 2.206 1
1 203 . 6 1 1 A 23 23 ARG N N 23 120.820 123.557 -2.737 1
1 204 . 6 1 1 A 24 24 VAL H H 24 7.327 7.741 -0.414 1
1 205 . 6 1 1 A 24 24 VAL HA H 24 4.446 4.801 -0.355 1
1 213 . 6 1 1 A 24 24 VAL C C 24 176.671 175.864 0.807 1
1 214 . 6 1 1 A 24 24 VAL CA C 24 59.921 59.405 0.516 1
1 215 . 6 1 1 A 24 24 VAL CB C 24 34.347 34.436 -0.089 1
1 218 . 6 1 1 A 24 24 VAL N N 24 112.687 116.376 -3.689 1
1 219 . 6 1 1 A 25 25 SER H H 25 8.506 9.028 -0.522 1
1 220 . 6 1 1 A 25 25 SER HA H 25 2.942 4.259 -1.317 1
1 223 . 6 1 1 A 25 25 SER CA C 25 61.633 61.116 0.517 1
1 224 . 6 1 1 A 25 25 SER CB C 25 61.752 63.110 -1.358 1
1 225 . 6 1 1 A 25 25 SER N N 25 123.315 118.297 5.018 1
1 226 . 6 1 1 A 26 26 SER HA H 26 3.990 4.196 -0.206 1
1 229 . 6 1 1 A 26 26 SER CA C 26 61.102 61.474 -0.372 1
1 230 . 6 1 1 A 26 26 SER CB C 26 61.860 62.498 -0.638 1
1 231 . 6 1 1 A 27 27 HIS H H 27 7.148 8.194 -1.046 1
1 232 . 6 1 1 A 27 27 HIS HA H 27 4.405 4.248 0.157 1
1 237 . 6 1 1 A 27 27 HIS CA C 27 56.698 58.896 -2.198 1
1 238 . 6 1 1 A 27 27 HIS CB C 27 30.201 30.016 0.185 1
1 241 . 6 1 1 A 27 27 HIS N N 27 120.679 118.579 2.100 1
1 242 . 6 1 1 A 28 28 LEU H H 28 6.828 8.043 -1.215 1
1 243 . 6 1 1 A 28 28 LEU HA H 28 3.317 1.954 1.363 1
1 253 . 6 1 1 A 28 28 LEU C C 28 176.993 178.053 -1.060 1
1 254 . 6 1 1 A 28 28 LEU CA C 28 57.560 57.426 0.134 1
1 255 . 6 1 1 A 28 28 LEU CB C 28 39.868 41.549 -1.681 1
1 259 . 6 1 1 A 28 28 LEU N N 28 121.970 120.091 1.879 1
1 260 . 6 1 1 A 29 29 VAL H H 29 7.609 8.028 -0.419 1
1 261 . 6 1 1 A 29 29 VAL HA H 29 3.462 3.602 -0.140 1
1 269 . 6 1 1 A 29 29 VAL C C 29 179.326 177.997 1.329 1
1 270 . 6 1 1 A 29 29 VAL CA C 29 66.493 66.879 -0.386 1
1 271 . 6 1 1 A 29 29 VAL CB C 29 31.478 31.598 -0.120 1
1 274 . 6 1 1 A 29 29 VAL N N 29 118.483 118.752 -0.269 1
1 275 . 6 1 1 A 30 30 GLN H H 30 7.549 7.946 -0.397 1
1 276 . 6 1 1 A 30 30 GLN HA H 30 4.023 3.996 0.027 1
1 283 . 6 1 1 A 30 30 GLN C C 30 177.980 177.851 0.129 1
1 284 . 6 1 1 A 30 30 GLN CA C 30 58.484 58.150 0.334 1
1 285 . 6 1 1 A 30 30 GLN CB C 30 28.527 28.592 -0.065 1
1 287 . 6 1 1 A 30 30 GLN N N 30 117.542 118.241 -0.699 1
1 289 . 6 1 1 A 31 31 HIS H H 31 7.580 7.639 -0.059 1
1 290 . 6 1 1 A 31 31 HIS HA H 31 4.246 4.112 0.134 1
1 295 . 6 1 1 A 31 31 HIS C C 31 175.449 176.892 -1.443 1
1 296 . 6 1 1 A 31 31 HIS CA C 31 58.704 57.983 0.721 1
1 297 . 6 1 1 A 31 31 HIS CB C 31 28.598 30.210 -1.612 1
1 300 . 6 1 1 A 31 31 HIS N N 31 119.448 120.968 -1.520 1
1 301 . 6 1 1 A 32 32 HIS H H 32 7.954 8.043 -0.089 1
1 302 . 6 1 1 A 32 32 HIS HA H 32 4.254 4.299 -0.045 1
1 307 . 6 1 1 A 32 32 HIS C C 32 177.828 176.120 1.708 1
1 308 . 6 1 1 A 32 32 HIS CA C 32 59.496 58.074 1.422 1
1 309 . 6 1 1 A 32 32 HIS CB C 32 30.445 29.347 1.098 1
1 312 . 6 1 1 A 32 32 HIS N N 32 116.367 116.047 0.320 1
1 313 . 6 1 1 A 33 33 SER H H 33 7.525 7.662 -0.137 1
1 314 . 6 1 1 A 33 33 SER HA H 33 4.227 4.598 -0.371 1
1 317 . 6 1 1 A 33 33 SER C C 33 176.339 174.639 1.700 1
1 318 . 6 1 1 A 33 33 SER CA C 33 61.325 57.929 3.396 1
1 319 . 6 1 1 A 33 33 SER CB C 33 63.097 63.731 -0.634 1
1 320 . 6 1 1 A 33 33 SER N N 33 113.090 112.077 1.013 1
1 321 . 6 1 1 A 34 34 VAL H H 34 7.958 7.554 0.404 1
1 322 . 6 1 1 A 34 34 VAL HA H 34 3.890 3.843 0.047 1
1 330 . 6 1 1 A 34 34 VAL C C 34 177.101 177.541 -0.440 1
1 331 . 6 1 1 A 34 34 VAL CA C 34 64.137 65.238 -1.101 1
1 332 . 6 1 1 A 34 34 VAL CB C 34 31.047 31.242 -0.195 1
1 335 . 6 1 1 A 34 34 VAL N N 34 119.960 119.745 0.215 1
1 336 . 6 1 1 A 35 35 HIS H H 35 7.191 7.068 0.123 1
1 337 . 6 1 1 A 35 35 HIS HA H 35 4.945 4.434 0.511 1
1 342 . 6 1 1 A 35 35 HIS C C 35 175.350 177.586 -2.236 1
1 343 . 6 1 1 A 35 35 HIS CA C 35 54.443 59.072 -4.629 1
1 344 . 6 1 1 A 35 35 HIS CB C 35 28.590 30.523 -1.933 1
1 347 . 6 1 1 A 35 35 HIS N N 35 116.514 120.676 -4.162 1
1 348 . 6 1 1 A 36 36 SER H H 36 7.762 8.677 -0.915 1
1 349 . 6 1 1 A 36 36 SER HA H 36 4.393 4.161 0.232 1
1 352 . 6 1 1 A 36 36 SER C C 36 175.126 177.001 -1.875 1
1 353 . 6 1 1 A 36 36 SER CA C 36 59.210 61.527 -2.317 1
1 354 . 6 1 1 A 36 36 SER CB C 36 63.861 62.655 1.206 1
1 355 . 6 1 1 A 36 36 SER N N 36 115.134 115.064 0.070 1
1 356 . 6 1 1 A 37 37 GLY H H 37 8.425 8.290 0.135 1
1 357 . 6 1 1 A 37 37 GLY HA2 H 37 3.964 3.818 0.146 1
1 358 . 6 1 1 A 37 37 GLY HA3 H 37 3.907 3.821 0.086 1
1 359 . 6 1 1 A 37 37 GLY C C 37 174.055 174.287 -0.232 1
1 360 . 6 1 1 A 37 37 GLY CA C 37 45.265 47.450 -2.185 1
1 361 . 6 1 1 A 37 37 GLY N N 37 110.975 109.964 1.011 1
1 362 . 6 1 1 A 38 38 GLU H H 38 8.081 7.936 0.145 1
1 363 . 6 1 1 A 38 38 GLU HA H 38 4.274 4.678 -0.404 1
1 368 . 6 1 1 A 38 38 GLU C C 38 176.219 175.731 0.488 1
1 369 . 6 1 1 A 38 38 GLU CA C 38 56.377 55.090 1.287 1
1 370 . 6 1 1 A 38 38 GLU CB C 38 30.527 32.698 -2.171 1
1 372 . 6 1 1 A 38 38 GLU N N 38 120.346 116.889 3.457 1
1 373 . 6 1 1 A 39 39 ARG H H 39 8.425 8.359 0.066 1
1 374 . 6 1 1 A 39 39 ARG HA H 39 4.625 4.469 0.156 1
1 381 . 6 1 1 A 39 39 ARG C C 39 174.184 174.400 -0.216 1
1 382 . 6 1 1 A 39 39 ARG CA C 39 53.852 54.709 -0.857 1
1 383 . 6 1 1 A 39 39 ARG CB C 39 30.221 29.730 0.491 1
1 386 . 6 1 1 A 39 39 ARG N N 39 123.241 124.524 -1.283 1
1 387 . 6 1 1 A 40 40 PRO HA H 40 4.466 4.573 -0.107 1
1 394 . 6 1 1 A 40 40 PRO CA C 40 63.232 62.589 0.643 1
1 395 . 6 1 1 A 40 40 PRO CB C 40 32.199 32.279 -0.080 1
1 398 . 6 1 1 A 41 41 SER H H 41 8.477 8.505 -0.028 1
1 399 . 6 1 1 A 41 41 SER HA H 41 4.465 4.276 0.189 1
1 402 . 6 1 1 A 41 41 SER CA C 41 63.248 59.847 3.401 1
1 403 . 6 1 1 A 41 41 SER CB C 41 63.863 62.618 1.245 1
1 404 . 6 1 1 A 41 41 SER N N 41 116.446 118.691 -2.245 1
1 405 . 6 1 1 A 42 42 GLY HA2 H 42 4.150 4.117 0.033 1
1 406 . 6 1 1 A 42 42 GLY HA3 H 42 4.111 4.118 -0.007 1
1 407 . 6 1 1 A 42 42 GLY CA C 42 44.694 44.930 -0.236 1
1 408 . 6 1 1 A 43 43 PRO HA H 43 4.466 4.653 -0.187 1
1 415 . 6 1 1 A 43 43 PRO CA C 43 63.257 62.782 0.475 1
1 416 . 6 1 1 A 43 43 PRO CB C 43 32.200 31.749 0.451 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 4.033 4.228 -0.195 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 4.033 4.228 -0.195 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.569 174.662 -0.093 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.511 45.797 -0.286 1
1 5 . 7 1 1 A 8 8 THR H H 8 8.149 8.079 0.070 1
1 6 . 7 1 1 A 8 8 THR HA H 8 4.347 4.210 0.137 1
1 11 . 7 1 1 A 8 8 THR C C 8 175.234 174.733 0.501 1
1 12 . 7 1 1 A 8 8 THR CA C 8 61.859 65.082 -3.223 1
1 13 . 7 1 1 A 8 8 THR CB C 8 69.813 69.548 0.265 1
1 15 . 7 1 1 A 8 8 THR N N 8 112.732 114.874 -2.142 1
1 16 . 7 1 1 A 9 9 GLY H H 9 8.453 7.649 0.804 1
1 17 . 7 1 1 A 9 9 GLY HA2 H 9 3.962 3.987 -0.025 1
1 18 . 7 1 1 A 9 9 GLY HA3 H 9 3.910 3.992 -0.082 1
1 19 . 7 1 1 A 9 9 GLY C C 9 174.022 172.196 1.826 1
1 20 . 7 1 1 A 9 9 GLY CA C 9 45.333 44.593 0.740 1
1 21 . 7 1 1 A 9 9 GLY N N 9 110.884 108.978 1.906 1
1 22 . 7 1 1 A 10 10 GLU H H 10 8.181 8.976 -0.795 1
1 23 . 7 1 1 A 10 10 GLU HA H 10 4.169 4.753 -0.584 1
1 28 . 7 1 1 A 10 10 GLU C C 10 176.268 176.571 -0.303 1
1 29 . 7 1 1 A 10 10 GLU CA C 10 56.763 54.909 1.854 1
1 30 . 7 1 1 A 10 10 GLU CB C 10 30.508 32.474 -1.966 1
1 32 . 7 1 1 A 10 10 GLU N N 10 120.209 121.158 -0.949 1
1 33 . 7 1 1 A 11 11 LYS H H 11 8.281 8.489 -0.208 1
1 34 . 7 1 1 A 11 11 LYS HA H 11 4.497 4.170 0.327 1
1 43 . 7 1 1 A 11 11 LYS C C 11 174.193 176.670 -2.477 1
1 44 . 7 1 1 A 11 11 LYS CA C 11 53.986 55.133 -1.147 1
1 45 . 7 1 1 A 11 11 LYS CB C 11 33.388 31.942 1.446 1
1 49 . 7 1 1 A 11 11 LYS N N 11 121.517 124.246 -2.729 1
1 50 . 7 1 1 A 12 12 PRO HA H 12 4.228 4.411 -0.183 1
1 57 . 7 1 1 A 12 12 PRO C C 12 176.683 176.099 0.584 1
1 58 . 7 1 1 A 12 12 PRO CA C 12 63.784 64.550 -0.766 1
1 59 . 7 1 1 A 12 12 PRO CB C 12 32.369 31.729 0.640 1
1 62 . 7 1 1 A 13 13 TYR H H 13 7.625 7.308 0.317 1
1 63 . 7 1 1 A 13 13 TYR HA H 13 4.660 5.249 -0.589 1
1 70 . 7 1 1 A 13 13 TYR C C 13 174.316 174.300 0.016 1
1 71 . 7 1 1 A 13 13 TYR CA C 13 57.467 56.748 0.719 1
1 72 . 7 1 1 A 13 13 TYR CB C 13 38.002 39.944 -1.942 1
1 77 . 7 1 1 A 13 13 TYR N N 13 118.216 118.221 -0.005 1
1 78 . 7 1 1 A 14 14 LYS H H 14 8.546 9.197 -0.651 1
1 79 . 7 1 1 A 14 14 LYS HA H 14 4.958 5.358 -0.400 1
1 88 . 7 1 1 A 14 14 LYS C C 14 175.292 174.904 0.388 1
1 89 . 7 1 1 A 14 14 LYS CA C 14 55.108 54.353 0.755 1
1 90 . 7 1 1 A 14 14 LYS CB C 14 35.439 36.049 -0.610 1
1 94 . 7 1 1 A 14 14 LYS N N 14 125.098 125.250 -0.152 1
1 95 . 7 1 1 A 15 15 CYS H H 15 9.372 9.518 -0.146 1
1 96 . 7 1 1 A 15 15 CYS HA H 15 4.607 4.763 -0.156 1
1 99 . 7 1 1 A 15 15 CYS C C 15 177.767 174.805 2.962 1
1 100 . 7 1 1 A 15 15 CYS CA C 15 59.867 59.418 0.449 1
1 101 . 7 1 1 A 15 15 CYS CB C 15 29.766 28.919 0.847 1
1 102 . 7 1 1 A 15 15 CYS N N 15 127.555 124.234 3.321 1
1 103 . 7 1 1 A 16 16 GLN H H 16 9.804 9.056 0.748 1
1 104 . 7 1 1 A 16 16 GLN HA H 16 4.188 4.673 -0.485 1
1 111 . 7 1 1 A 16 16 GLN C C 16 175.874 177.544 -1.670 1
1 112 . 7 1 1 A 16 16 GLN CA C 16 57.670 56.884 0.786 1
1 113 . 7 1 1 A 16 16 GLN CB C 16 28.775 31.324 -2.549 1
1 115 . 7 1 1 A 16 16 GLN N N 16 131.405 122.752 8.653 1
1 117 . 7 1 1 A 17 17 VAL H H 17 9.009 8.110 0.899 1
1 118 . 7 1 1 A 17 17 VAL HA H 17 3.779 3.817 -0.038 1
1 126 . 7 1 1 A 17 17 VAL C C 17 177.068 177.372 -0.304 1
1 127 . 7 1 1 A 17 17 VAL CA C 17 65.146 64.662 0.484 1
1 128 . 7 1 1 A 17 17 VAL CB C 17 32.795 31.472 1.323 1
1 131 . 7 1 1 A 17 17 VAL N N 17 121.843 116.924 4.919 1
1 132 . 7 1 1 A 18 18 CYS H H 18 8.265 7.873 0.392 1
1 133 . 7 1 1 A 18 18 CYS HA H 18 5.152 4.620 0.532 1
1 136 . 7 1 1 A 18 18 CYS C C 18 176.385 175.765 0.620 1
1 137 . 7 1 1 A 18 18 CYS CA C 18 58.209 59.233 -1.024 1
1 138 . 7 1 1 A 18 18 CYS CB C 18 33.029 30.184 2.845 1
1 139 . 7 1 1 A 18 18 CYS N N 18 116.001 117.012 -1.011 1
1 140 . 7 1 1 A 19 19 GLY H H 19 7.873 8.273 -0.400 1
1 141 . 7 1 1 A 19 19 GLY HA2 H 19 4.264 3.979 0.285 1
1 142 . 7 1 1 A 19 19 GLY HA3 H 19 3.769 4.007 -0.238 1
1 143 . 7 1 1 A 19 19 GLY C C 19 173.353 174.737 -1.384 1
1 144 . 7 1 1 A 19 19 GLY CA C 19 46.218 45.509 0.709 1
1 145 . 7 1 1 A 19 19 GLY N N 19 113.243 110.411 2.832 1
1 146 . 7 1 1 A 20 20 LYS H H 20 8.152 7.485 0.667 1
1 147 . 7 1 1 A 20 20 LYS HA H 20 3.894 4.246 -0.352 1
1 156 . 7 1 1 A 20 20 LYS C C 20 173.528 174.945 -1.417 1
1 157 . 7 1 1 A 20 20 LYS CA C 20 58.349 56.416 1.933 1
1 158 . 7 1 1 A 20 20 LYS CB C 20 33.384 34.112 -0.728 1
1 162 . 7 1 1 A 20 20 LYS N N 20 124.409 120.217 4.192 1
1 163 . 7 1 1 A 21 21 ALA H H 21 7.969 7.808 0.161 1
1 164 . 7 1 1 A 21 21 ALA HA H 21 5.197 5.203 -0.006 1
1 168 . 7 1 1 A 21 21 ALA C C 21 175.930 174.648 1.282 1
1 169 . 7 1 1 A 21 21 ALA CA C 21 50.190 50.751 -0.561 1
1 170 . 7 1 1 A 21 21 ALA CB C 21 22.551 23.598 -1.047 1
1 171 . 7 1 1 A 21 21 ALA N N 21 126.194 120.723 5.471 1
1 172 . 7 1 1 A 22 22 PHE H H 22 8.822 8.883 -0.061 1
1 173 . 7 1 1 A 22 22 PHE HA H 22 4.845 4.961 -0.116 1
1 181 . 7 1 1 A 22 22 PHE C C 22 175.249 175.839 -0.590 1
1 182 . 7 1 1 A 22 22 PHE CA C 22 57.103 56.332 0.771 1
1 183 . 7 1 1 A 22 22 PHE CB C 22 43.663 42.746 0.917 1
1 189 . 7 1 1 A 22 22 PHE N N 22 116.525 116.863 -0.338 1
1 190 . 7 1 1 A 23 23 ARG H H 23 9.561 8.773 0.788 1
1 191 . 7 1 1 A 23 23 ARG HA H 23 4.491 3.982 0.509 1
1 198 . 7 1 1 A 23 23 ARG C C 23 175.729 176.231 -0.502 1
1 199 . 7 1 1 A 23 23 ARG CA C 23 58.561 58.524 0.037 1
1 200 . 7 1 1 A 23 23 ARG CB C 23 31.997 30.009 1.988 1
1 203 . 7 1 1 A 23 23 ARG N N 23 120.820 123.295 -2.475 1
1 204 . 7 1 1 A 24 24 VAL H H 24 7.327 7.570 -0.243 1
1 205 . 7 1 1 A 24 24 VAL HA H 24 4.446 4.757 -0.311 1
1 213 . 7 1 1 A 24 24 VAL C C 24 176.671 175.939 0.732 1
1 214 . 7 1 1 A 24 24 VAL CA C 24 59.921 59.559 0.362 1
1 215 . 7 1 1 A 24 24 VAL CB C 24 34.347 34.442 -0.095 1
1 218 . 7 1 1 A 24 24 VAL N N 24 112.687 116.964 -4.277 1
1 219 . 7 1 1 A 25 25 SER H H 25 8.506 9.050 -0.544 1
1 220 . 7 1 1 A 25 25 SER HA H 25 2.942 4.276 -1.334 1
1 223 . 7 1 1 A 25 25 SER CA C 25 61.633 61.252 0.381 1
1 224 . 7 1 1 A 25 25 SER CB C 25 61.752 62.882 -1.130 1
1 225 . 7 1 1 A 25 25 SER N N 25 123.315 119.091 4.224 1
1 226 . 7 1 1 A 26 26 SER HA H 26 3.990 4.144 -0.154 1
1 229 . 7 1 1 A 26 26 SER CA C 26 61.102 61.922 -0.820 1
1 230 . 7 1 1 A 26 26 SER CB C 26 61.860 63.017 -1.157 1
1 231 . 7 1 1 A 27 27 HIS H H 27 7.148 8.558 -1.410 1
1 232 . 7 1 1 A 27 27 HIS HA H 27 4.405 4.155 0.250 1
1 237 . 7 1 1 A 27 27 HIS CA C 27 56.698 59.255 -2.557 1
1 238 . 7 1 1 A 27 27 HIS CB C 27 30.201 30.044 0.157 1
1 241 . 7 1 1 A 27 27 HIS N N 27 120.679 118.797 1.882 1
1 242 . 7 1 1 A 28 28 LEU H H 28 6.828 7.931 -1.103 1
1 243 . 7 1 1 A 28 28 LEU HA H 28 3.317 2.305 1.012 1
1 253 . 7 1 1 A 28 28 LEU C C 28 176.993 178.218 -1.225 1
1 254 . 7 1 1 A 28 28 LEU CA C 28 57.560 57.654 -0.094 1
1 255 . 7 1 1 A 28 28 LEU CB C 28 39.868 41.201 -1.333 1
1 259 . 7 1 1 A 28 28 LEU N N 28 121.970 120.179 1.791 1
1 260 . 7 1 1 A 29 29 VAL H H 29 7.609 8.500 -0.891 1
1 261 . 7 1 1 A 29 29 VAL HA H 29 3.462 3.619 -0.157 1
1 269 . 7 1 1 A 29 29 VAL C C 29 179.326 177.469 1.857 1
1 270 . 7 1 1 A 29 29 VAL CA C 29 66.493 66.968 -0.475 1
1 271 . 7 1 1 A 29 29 VAL CB C 29 31.478 31.485 -0.007 1
1 274 . 7 1 1 A 29 29 VAL N N 29 118.483 118.642 -0.159 1
1 275 . 7 1 1 A 30 30 GLN H H 30 7.549 8.145 -0.596 1
1 276 . 7 1 1 A 30 30 GLN HA H 30 4.023 4.054 -0.031 1
1 283 . 7 1 1 A 30 30 GLN C C 30 177.980 178.391 -0.411 1
1 284 . 7 1 1 A 30 30 GLN CA C 30 58.484 58.569 -0.085 1
1 285 . 7 1 1 A 30 30 GLN CB C 30 28.527 28.494 0.033 1
1 287 . 7 1 1 A 30 30 GLN N N 30 117.542 118.031 -0.489 1
1 289 . 7 1 1 A 31 31 HIS H H 31 7.580 7.896 -0.316 1
1 290 . 7 1 1 A 31 31 HIS HA H 31 4.246 4.139 0.107 1
1 295 . 7 1 1 A 31 31 HIS C C 31 175.449 176.694 -1.245 1
1 296 . 7 1 1 A 31 31 HIS CA C 31 58.704 58.472 0.232 1
1 297 . 7 1 1 A 31 31 HIS CB C 31 28.598 29.830 -1.232 1
1 300 . 7 1 1 A 31 31 HIS N N 31 119.448 120.790 -1.342 1
1 301 . 7 1 1 A 32 32 HIS H H 32 7.954 7.536 0.418 1
1 302 . 7 1 1 A 32 32 HIS HA H 32 4.254 4.324 -0.070 1
1 307 . 7 1 1 A 32 32 HIS C C 32 177.828 176.155 1.673 1
1 308 . 7 1 1 A 32 32 HIS CA C 32 59.496 58.029 1.467 1
1 309 . 7 1 1 A 32 32 HIS CB C 32 30.445 29.256 1.189 1
1 312 . 7 1 1 A 32 32 HIS N N 32 116.367 115.715 0.652 1
1 313 . 7 1 1 A 33 33 SER H H 33 7.525 7.262 0.263 1
1 314 . 7 1 1 A 33 33 SER HA H 33 4.227 4.619 -0.392 1
1 317 . 7 1 1 A 33 33 SER C C 33 176.339 174.689 1.650 1
1 318 . 7 1 1 A 33 33 SER CA C 33 61.325 57.966 3.359 1
1 319 . 7 1 1 A 33 33 SER CB C 33 63.097 63.884 -0.787 1
1 320 . 7 1 1 A 33 33 SER N N 33 113.090 112.397 0.693 1
1 321 . 7 1 1 A 34 34 VAL H H 34 7.958 7.572 0.386 1
1 322 . 7 1 1 A 34 34 VAL HA H 34 3.890 3.715 0.175 1
1 330 . 7 1 1 A 34 34 VAL C C 34 177.101 177.894 -0.793 1
1 331 . 7 1 1 A 34 34 VAL CA C 34 64.137 65.390 -1.253 1
1 332 . 7 1 1 A 34 34 VAL CB C 34 31.047 31.250 -0.203 1
1 335 . 7 1 1 A 34 34 VAL N N 34 119.960 120.156 -0.196 1
1 336 . 7 1 1 A 35 35 HIS H H 35 7.191 7.308 -0.117 1
1 337 . 7 1 1 A 35 35 HIS HA H 35 4.945 4.329 0.616 1
1 342 . 7 1 1 A 35 35 HIS C C 35 175.350 176.488 -1.138 1
1 343 . 7 1 1 A 35 35 HIS CA C 35 54.443 59.127 -4.684 1
1 344 . 7 1 1 A 35 35 HIS CB C 35 28.590 30.075 -1.485 1
1 347 . 7 1 1 A 35 35 HIS N N 35 116.514 121.141 -4.627 1
1 348 . 7 1 1 A 36 36 SER H H 36 7.762 8.052 -0.290 1
1 349 . 7 1 1 A 36 36 SER HA H 36 4.393 4.417 -0.024 1
1 352 . 7 1 1 A 36 36 SER C C 36 175.126 175.158 -0.032 1
1 353 . 7 1 1 A 36 36 SER CA C 36 59.210 57.817 1.393 1
1 354 . 7 1 1 A 36 36 SER CB C 36 63.861 62.166 1.695 1
1 355 . 7 1 1 A 36 36 SER N N 36 115.134 112.736 2.398 1
1 356 . 7 1 1 A 37 37 GLY H H 37 8.425 7.804 0.621 1
1 357 . 7 1 1 A 37 37 GLY HA2 H 37 3.964 4.019 -0.055 1
1 358 . 7 1 1 A 37 37 GLY HA3 H 37 3.907 4.030 -0.123 1
1 359 . 7 1 1 A 37 37 GLY C C 37 174.055 173.782 0.273 1
1 360 . 7 1 1 A 37 37 GLY CA C 37 45.265 45.863 -0.598 1
1 361 . 7 1 1 A 37 37 GLY N N 37 110.975 110.444 0.531 1
1 362 . 7 1 1 A 38 38 GLU H H 38 8.081 8.098 -0.017 1
1 363 . 7 1 1 A 38 38 GLU HA H 38 4.274 4.248 0.026 1
1 368 . 7 1 1 A 38 38 GLU C C 38 176.219 175.948 0.271 1
1 369 . 7 1 1 A 38 38 GLU CA C 38 56.377 57.108 -0.731 1
1 370 . 7 1 1 A 38 38 GLU CB C 38 30.527 30.160 0.367 1
1 372 . 7 1 1 A 38 38 GLU N N 38 120.346 122.156 -1.810 1
1 373 . 7 1 1 A 39 39 ARG H H 39 8.425 8.306 0.119 1
1 374 . 7 1 1 A 39 39 ARG HA H 39 4.625 4.810 -0.185 1
1 381 . 7 1 1 A 39 39 ARG C C 39 174.184 174.490 -0.306 1
1 382 . 7 1 1 A 39 39 ARG CA C 39 53.852 54.377 -0.525 1
1 383 . 7 1 1 A 39 39 ARG CB C 39 30.221 30.925 -0.704 1
1 386 . 7 1 1 A 39 39 ARG N N 39 123.241 124.895 -1.654 1
1 387 . 7 1 1 A 40 40 PRO HA H 40 4.466 4.701 -0.235 1
1 394 . 7 1 1 A 40 40 PRO CA C 40 63.232 62.917 0.315 1
1 395 . 7 1 1 A 40 40 PRO CB C 40 32.199 31.995 0.204 1
1 398 . 7 1 1 A 41 41 SER H H 41 8.477 8.688 -0.211 1
1 399 . 7 1 1 A 41 41 SER HA H 41 4.465 4.564 -0.099 1
1 402 . 7 1 1 A 41 41 SER CA C 41 63.248 58.105 5.143 1
1 403 . 7 1 1 A 41 41 SER CB C 41 63.863 63.415 0.448 1
1 404 . 7 1 1 A 41 41 SER N N 41 116.446 119.020 -2.574 1
1 405 . 7 1 1 A 42 42 GLY HA2 H 42 4.150 3.898 0.252 1
1 406 . 7 1 1 A 42 42 GLY HA3 H 42 4.111 3.899 0.212 1
1 407 . 7 1 1 A 42 42 GLY CA C 42 44.694 46.906 -2.212 1
1 408 . 7 1 1 A 43 43 PRO HA H 43 4.466 4.406 0.060 1
1 415 . 7 1 1 A 43 43 PRO CA C 43 63.257 63.500 -0.243 1
1 416 . 7 1 1 A 43 43 PRO CB C 43 32.200 32.042 0.158 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 4.033 4.027 0.006 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 4.033 4.029 0.004 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.569 174.618 -0.049 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.511 44.850 0.661 1
1 5 . 8 1 1 A 8 8 THR H H 8 8.149 8.537 -0.388 1
1 6 . 8 1 1 A 8 8 THR HA H 8 4.347 4.250 0.097 1
1 11 . 8 1 1 A 8 8 THR C C 8 175.234 174.641 0.593 1
1 12 . 8 1 1 A 8 8 THR CA C 8 61.859 63.032 -1.173 1
1 13 . 8 1 1 A 8 8 THR CB C 8 69.813 69.968 -0.155 1
1 15 . 8 1 1 A 8 8 THR N N 8 112.732 115.801 -3.069 1
1 16 . 8 1 1 A 9 9 GLY H H 9 8.453 7.905 0.548 1
1 17 . 8 1 1 A 9 9 GLY HA2 H 9 3.962 3.926 0.036 1
1 18 . 8 1 1 A 9 9 GLY HA3 H 9 3.910 3.938 -0.028 1
1 19 . 8 1 1 A 9 9 GLY C C 9 174.022 173.948 0.074 1
1 20 . 8 1 1 A 9 9 GLY CA C 9 45.333 45.330 0.003 1
1 21 . 8 1 1 A 9 9 GLY N N 9 110.884 109.774 1.110 1
1 22 . 8 1 1 A 10 10 GLU H H 10 8.181 8.405 -0.224 1
1 23 . 8 1 1 A 10 10 GLU HA H 10 4.169 4.473 -0.304 1
1 28 . 8 1 1 A 10 10 GLU C C 10 176.268 175.902 0.366 1
1 29 . 8 1 1 A 10 10 GLU CA C 10 56.763 56.156 0.607 1
1 30 . 8 1 1 A 10 10 GLU CB C 10 30.508 29.941 0.567 1
1 32 . 8 1 1 A 10 10 GLU N N 10 120.209 121.197 -0.988 1
1 33 . 8 1 1 A 11 11 LYS H H 11 8.281 8.331 -0.050 1
1 34 . 8 1 1 A 11 11 LYS HA H 11 4.497 4.675 -0.178 1
1 43 . 8 1 1 A 11 11 LYS C C 11 174.193 176.131 -1.938 1
1 44 . 8 1 1 A 11 11 LYS CA C 11 53.986 53.146 0.840 1
1 45 . 8 1 1 A 11 11 LYS CB C 11 33.388 33.531 -0.143 1
1 49 . 8 1 1 A 11 11 LYS N N 11 121.517 123.211 -1.694 1
1 50 . 8 1 1 A 12 12 PRO HA H 12 4.228 4.332 -0.104 1
1 57 . 8 1 1 A 12 12 PRO C C 12 176.683 176.037 0.646 1
1 58 . 8 1 1 A 12 12 PRO CA C 12 63.784 64.765 -0.981 1
1 59 . 8 1 1 A 12 12 PRO CB C 12 32.369 31.871 0.498 1
1 62 . 8 1 1 A 13 13 TYR H H 13 7.625 7.403 0.222 1
1 63 . 8 1 1 A 13 13 TYR HA H 13 4.660 5.103 -0.443 1
1 70 . 8 1 1 A 13 13 TYR C C 13 174.316 174.468 -0.152 1
1 71 . 8 1 1 A 13 13 TYR CA C 13 57.467 56.893 0.574 1
1 72 . 8 1 1 A 13 13 TYR CB C 13 38.002 39.561 -1.559 1
1 77 . 8 1 1 A 13 13 TYR N N 13 118.216 117.790 0.426 1
1 78 . 8 1 1 A 14 14 LYS H H 14 8.546 9.211 -0.665 1
1 79 . 8 1 1 A 14 14 LYS HA H 14 4.958 5.468 -0.510 1
1 88 . 8 1 1 A 14 14 LYS C C 14 175.292 174.960 0.332 1
1 89 . 8 1 1 A 14 14 LYS CA C 14 55.108 54.458 0.650 1
1 90 . 8 1 1 A 14 14 LYS CB C 14 35.439 36.197 -0.758 1
1 94 . 8 1 1 A 14 14 LYS N N 14 125.098 125.137 -0.039 1
1 95 . 8 1 1 A 15 15 CYS H H 15 9.372 9.391 -0.019 1
1 96 . 8 1 1 A 15 15 CYS HA H 15 4.607 4.761 -0.154 1
1 99 . 8 1 1 A 15 15 CYS C C 15 177.767 174.855 2.912 1
1 100 . 8 1 1 A 15 15 CYS CA C 15 59.867 59.632 0.235 1
1 101 . 8 1 1 A 15 15 CYS CB C 15 29.766 28.899 0.867 1
1 102 . 8 1 1 A 15 15 CYS N N 15 127.555 124.402 3.153 1
1 103 . 8 1 1 A 16 16 GLN H H 16 9.804 9.020 0.784 1
1 104 . 8 1 1 A 16 16 GLN HA H 16 4.188 4.687 -0.499 1
1 111 . 8 1 1 A 16 16 GLN C C 16 175.874 177.229 -1.355 1
1 112 . 8 1 1 A 16 16 GLN CA C 16 57.670 56.635 1.035 1
1 113 . 8 1 1 A 16 16 GLN CB C 16 28.775 31.240 -2.465 1
1 115 . 8 1 1 A 16 16 GLN N N 16 131.405 122.839 8.566 1
1 117 . 8 1 1 A 17 17 VAL H H 17 9.009 7.808 1.201 1
1 118 . 8 1 1 A 17 17 VAL HA H 17 3.779 3.856 -0.077 1
1 126 . 8 1 1 A 17 17 VAL C C 17 177.068 177.041 0.027 1
1 127 . 8 1 1 A 17 17 VAL CA C 17 65.146 64.456 0.690 1
1 128 . 8 1 1 A 17 17 VAL CB C 17 32.795 31.560 1.235 1
1 131 . 8 1 1 A 17 17 VAL N N 17 121.843 117.703 4.140 1
1 132 . 8 1 1 A 18 18 CYS H H 18 8.265 7.899 0.366 1
1 133 . 8 1 1 A 18 18 CYS HA H 18 5.152 4.638 0.514 1
1 136 . 8 1 1 A 18 18 CYS C C 18 176.385 176.029 0.356 1
1 137 . 8 1 1 A 18 18 CYS CA C 18 58.209 59.131 -0.922 1
1 138 . 8 1 1 A 18 18 CYS CB C 18 33.029 30.383 2.646 1
1 139 . 8 1 1 A 18 18 CYS N N 18 116.001 117.082 -1.081 1
1 140 . 8 1 1 A 19 19 GLY H H 19 7.873 8.200 -0.327 1
1 141 . 8 1 1 A 19 19 GLY HA2 H 19 4.264 3.955 0.309 1
1 142 . 8 1 1 A 19 19 GLY HA3 H 19 3.769 3.980 -0.211 1
1 143 . 8 1 1 A 19 19 GLY C C 19 173.353 174.850 -1.497 1
1 144 . 8 1 1 A 19 19 GLY CA C 19 46.218 45.682 0.536 1
1 145 . 8 1 1 A 19 19 GLY N N 19 113.243 110.509 2.734 1
1 146 . 8 1 1 A 20 20 LYS H H 20 8.152 7.523 0.629 1
1 147 . 8 1 1 A 20 20 LYS HA H 20 3.894 4.281 -0.387 1
1 156 . 8 1 1 A 20 20 LYS C C 20 173.528 174.970 -1.442 1
1 157 . 8 1 1 A 20 20 LYS CA C 20 58.349 56.194 2.155 1
1 158 . 8 1 1 A 20 20 LYS CB C 20 33.384 34.227 -0.843 1
1 162 . 8 1 1 A 20 20 LYS N N 20 124.409 120.352 4.057 1
1 163 . 8 1 1 A 21 21 ALA H H 21 7.969 7.801 0.168 1
1 164 . 8 1 1 A 21 21 ALA HA H 21 5.197 5.363 -0.166 1
1 168 . 8 1 1 A 21 21 ALA C C 21 175.930 174.766 1.164 1
1 169 . 8 1 1 A 21 21 ALA CA C 21 50.190 50.822 -0.632 1
1 170 . 8 1 1 A 21 21 ALA CB C 21 22.551 23.655 -1.104 1
1 171 . 8 1 1 A 21 21 ALA N N 21 126.194 120.631 5.563 1
1 172 . 8 1 1 A 22 22 PHE H H 22 8.822 8.925 -0.103 1
1 173 . 8 1 1 A 22 22 PHE HA H 22 4.845 4.993 -0.148 1
1 181 . 8 1 1 A 22 22 PHE C C 22 175.249 175.726 -0.477 1
1 182 . 8 1 1 A 22 22 PHE CA C 22 57.103 56.288 0.815 1
1 183 . 8 1 1 A 22 22 PHE CB C 22 43.663 42.749 0.914 1
1 189 . 8 1 1 A 22 22 PHE N N 22 116.525 116.665 -0.140 1
1 190 . 8 1 1 A 23 23 ARG H H 23 9.561 8.790 0.771 1
1 191 . 8 1 1 A 23 23 ARG HA H 23 4.491 4.020 0.471 1
1 198 . 8 1 1 A 23 23 ARG C C 23 175.729 175.946 -0.217 1
1 199 . 8 1 1 A 23 23 ARG CA C 23 58.561 58.457 0.104 1
1 200 . 8 1 1 A 23 23 ARG CB C 23 31.997 29.991 2.006 1
1 203 . 8 1 1 A 23 23 ARG N N 23 120.820 123.736 -2.916 1
1 204 . 8 1 1 A 24 24 VAL H H 24 7.327 7.670 -0.343 1
1 205 . 8 1 1 A 24 24 VAL HA H 24 4.446 4.780 -0.334 1
1 213 . 8 1 1 A 24 24 VAL C C 24 176.671 175.833 0.838 1
1 214 . 8 1 1 A 24 24 VAL CA C 24 59.921 59.291 0.630 1
1 215 . 8 1 1 A 24 24 VAL CB C 24 34.347 34.324 0.023 1
1 218 . 8 1 1 A 24 24 VAL N N 24 112.687 116.323 -3.636 1
1 219 . 8 1 1 A 25 25 SER H H 25 8.506 9.011 -0.505 1
1 220 . 8 1 1 A 25 25 SER HA H 25 2.942 4.248 -1.306 1
1 223 . 8 1 1 A 25 25 SER CA C 25 61.633 61.139 0.494 1
1 224 . 8 1 1 A 25 25 SER CB C 25 61.752 63.023 -1.271 1
1 225 . 8 1 1 A 25 25 SER N N 25 123.315 118.494 4.821 1
1 226 . 8 1 1 A 26 26 SER HA H 26 3.990 4.212 -0.222 1
1 229 . 8 1 1 A 26 26 SER CA C 26 61.102 61.450 -0.348 1
1 230 . 8 1 1 A 26 26 SER CB C 26 61.860 62.303 -0.443 1
1 231 . 8 1 1 A 27 27 HIS H H 27 7.148 8.039 -0.891 1
1 232 . 8 1 1 A 27 27 HIS HA H 27 4.405 4.282 0.123 1
1 237 . 8 1 1 A 27 27 HIS CA C 27 56.698 58.828 -2.130 1
1 238 . 8 1 1 A 27 27 HIS CB C 27 30.201 30.080 0.121 1
1 241 . 8 1 1 A 27 27 HIS N N 27 120.679 118.601 2.078 1
1 242 . 8 1 1 A 28 28 LEU H H 28 6.828 7.986 -1.158 1
1 243 . 8 1 1 A 28 28 LEU HA H 28 3.317 2.036 1.281 1
1 253 . 8 1 1 A 28 28 LEU C C 28 176.993 178.245 -1.252 1
1 254 . 8 1 1 A 28 28 LEU CA C 28 57.560 57.470 0.090 1
1 255 . 8 1 1 A 28 28 LEU CB C 28 39.868 41.400 -1.532 1
1 259 . 8 1 1 A 28 28 LEU N N 28 121.970 120.070 1.900 1
1 260 . 8 1 1 A 29 29 VAL H H 29 7.609 8.089 -0.480 1
1 261 . 8 1 1 A 29 29 VAL HA H 29 3.462 3.597 -0.135 1
1 269 . 8 1 1 A 29 29 VAL C C 29 179.326 177.992 1.334 1
1 270 . 8 1 1 A 29 29 VAL CA C 29 66.493 66.780 -0.287 1
1 271 . 8 1 1 A 29 29 VAL CB C 29 31.478 31.642 -0.164 1
1 274 . 8 1 1 A 29 29 VAL N N 29 118.483 118.768 -0.285 1
1 275 . 8 1 1 A 30 30 GLN H H 30 7.549 8.052 -0.503 1
1 276 . 8 1 1 A 30 30 GLN HA H 30 4.023 4.027 -0.004 1
1 283 . 8 1 1 A 30 30 GLN C C 30 177.980 178.040 -0.060 1
1 284 . 8 1 1 A 30 30 GLN CA C 30 58.484 58.185 0.299 1
1 285 . 8 1 1 A 30 30 GLN CB C 30 28.527 28.692 -0.165 1
1 287 . 8 1 1 A 30 30 GLN N N 30 117.542 118.202 -0.660 1
1 289 . 8 1 1 A 31 31 HIS H H 31 7.580 7.857 -0.277 1
1 290 . 8 1 1 A 31 31 HIS HA H 31 4.246 4.154 0.092 1
1 295 . 8 1 1 A 31 31 HIS C C 31 175.449 176.763 -1.314 1
1 296 . 8 1 1 A 31 31 HIS CA C 31 58.704 58.081 0.623 1
1 297 . 8 1 1 A 31 31 HIS CB C 31 28.598 30.159 -1.561 1
1 300 . 8 1 1 A 31 31 HIS N N 31 119.448 120.851 -1.403 1
1 301 . 8 1 1 A 32 32 HIS H H 32 7.954 7.910 0.044 1
1 302 . 8 1 1 A 32 32 HIS HA H 32 4.254 4.362 -0.108 1
1 307 . 8 1 1 A 32 32 HIS C C 32 177.828 176.109 1.719 1
1 308 . 8 1 1 A 32 32 HIS CA C 32 59.496 58.460 1.036 1
1 309 . 8 1 1 A 32 32 HIS CB C 32 30.445 29.322 1.123 1
1 312 . 8 1 1 A 32 32 HIS N N 32 116.367 115.900 0.467 1
1 313 . 8 1 1 A 33 33 SER H H 33 7.525 7.725 -0.200 1
1 314 . 8 1 1 A 33 33 SER HA H 33 4.227 4.658 -0.431 1
1 317 . 8 1 1 A 33 33 SER C C 33 176.339 174.620 1.719 1
1 318 . 8 1 1 A 33 33 SER CA C 33 61.325 57.961 3.364 1
1 319 . 8 1 1 A 33 33 SER CB C 33 63.097 63.716 -0.619 1
1 320 . 8 1 1 A 33 33 SER N N 33 113.090 112.020 1.070 1
1 321 . 8 1 1 A 34 34 VAL H H 34 7.958 7.542 0.416 1
1 322 . 8 1 1 A 34 34 VAL HA H 34 3.890 4.058 -0.168 1
1 330 . 8 1 1 A 34 34 VAL C C 34 177.101 176.113 0.988 1
1 331 . 8 1 1 A 34 34 VAL CA C 34 64.137 63.400 0.737 1
1 332 . 8 1 1 A 34 34 VAL CB C 34 31.047 31.761 -0.714 1
1 335 . 8 1 1 A 34 34 VAL N N 34 119.960 118.641 1.319 1
1 336 . 8 1 1 A 35 35 HIS H H 35 7.191 7.608 -0.417 1
1 337 . 8 1 1 A 35 35 HIS HA H 35 4.945 4.721 0.224 1
1 342 . 8 1 1 A 35 35 HIS C C 35 175.350 175.605 -0.255 1
1 343 . 8 1 1 A 35 35 HIS CA C 35 54.443 55.433 -0.990 1
1 344 . 8 1 1 A 35 35 HIS CB C 35 28.590 29.358 -0.768 1
1 347 . 8 1 1 A 35 35 HIS N N 35 116.514 120.318 -3.804 1
1 348 . 8 1 1 A 36 36 SER H H 36 7.762 7.699 0.063 1
1 349 . 8 1 1 A 36 36 SER HA H 36 4.393 4.376 0.017 1
1 352 . 8 1 1 A 36 36 SER C C 36 175.126 176.392 -1.266 1
1 353 . 8 1 1 A 36 36 SER CA C 36 59.210 60.851 -1.641 1
1 354 . 8 1 1 A 36 36 SER CB C 36 63.861 63.455 0.406 1
1 355 . 8 1 1 A 36 36 SER N N 36 115.134 113.759 1.375 1
1 356 . 8 1 1 A 37 37 GLY H H 37 8.425 7.999 0.426 1
1 357 . 8 1 1 A 37 37 GLY HA2 H 37 3.964 3.725 0.239 1
1 358 . 8 1 1 A 37 37 GLY HA3 H 37 3.907 3.726 0.181 1
1 359 . 8 1 1 A 37 37 GLY C C 37 174.055 173.931 0.124 1
1 360 . 8 1 1 A 37 37 GLY CA C 37 45.265 46.252 -0.987 1
1 361 . 8 1 1 A 37 37 GLY N N 37 110.975 109.766 1.209 1
1 362 . 8 1 1 A 38 38 GLU H H 38 8.081 7.941 0.140 1
1 363 . 8 1 1 A 38 38 GLU HA H 38 4.274 4.865 -0.591 1
1 368 . 8 1 1 A 38 38 GLU C C 38 176.219 174.708 1.511 1
1 369 . 8 1 1 A 38 38 GLU CA C 38 56.377 54.615 1.762 1
1 370 . 8 1 1 A 38 38 GLU CB C 38 30.527 33.908 -3.381 1
1 372 . 8 1 1 A 38 38 GLU N N 38 120.346 118.536 1.810 1
1 373 . 8 1 1 A 39 39 ARG H H 39 8.425 8.585 -0.160 1
1 374 . 8 1 1 A 39 39 ARG HA H 39 4.625 4.809 -0.184 1
1 381 . 8 1 1 A 39 39 ARG C C 39 174.184 173.583 0.601 1
1 382 . 8 1 1 A 39 39 ARG CA C 39 53.852 52.627 1.225 1
1 383 . 8 1 1 A 39 39 ARG CB C 39 30.221 31.973 -1.752 1
1 386 . 8 1 1 A 39 39 ARG N N 39 123.241 122.497 0.744 1
1 387 . 8 1 1 A 40 40 PRO HA H 40 4.466 4.602 -0.136 1
1 394 . 8 1 1 A 40 40 PRO CA C 40 63.232 62.541 0.691 1
1 395 . 8 1 1 A 40 40 PRO CB C 40 32.199 32.699 -0.500 1
1 398 . 8 1 1 A 41 41 SER H H 41 8.477 8.473 0.004 1
1 399 . 8 1 1 A 41 41 SER HA H 41 4.465 4.431 0.034 1
1 402 . 8 1 1 A 41 41 SER CA C 41 63.248 59.912 3.336 1
1 403 . 8 1 1 A 41 41 SER CB C 41 63.863 62.500 1.363 1
1 404 . 8 1 1 A 41 41 SER N N 41 116.446 118.896 -2.450 1
1 405 . 8 1 1 A 42 42 GLY HA2 H 42 4.150 4.268 -0.118 1
1 406 . 8 1 1 A 42 42 GLY HA3 H 42 4.111 4.269 -0.158 1
1 407 . 8 1 1 A 42 42 GLY CA C 42 44.694 44.014 0.680 1
1 408 . 8 1 1 A 43 43 PRO HA H 43 4.466 4.657 -0.191 1
1 415 . 8 1 1 A 43 43 PRO CA C 43 63.257 62.444 0.813 1
1 416 . 8 1 1 A 43 43 PRO CB C 43 32.200 33.319 -1.119 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 4.033 4.268 -0.235 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 4.033 4.274 -0.241 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.569 172.346 2.223 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.511 44.655 0.856 1
1 5 . 9 1 1 A 8 8 THR H H 8 8.149 8.635 -0.486 1
1 6 . 9 1 1 A 8 8 THR HA H 8 4.347 4.612 -0.265 1
1 11 . 9 1 1 A 8 8 THR C C 8 175.234 174.420 0.814 1
1 12 . 9 1 1 A 8 8 THR CA C 8 61.859 61.016 0.843 1
1 13 . 9 1 1 A 8 8 THR CB C 8 69.813 69.670 0.143 1
1 15 . 9 1 1 A 8 8 THR N N 8 112.732 118.614 -5.882 1
1 16 . 9 1 1 A 9 9 GLY H H 9 8.453 7.694 0.759 1
1 17 . 9 1 1 A 9 9 GLY HA2 H 9 3.962 4.047 -0.085 1
1 18 . 9 1 1 A 9 9 GLY HA3 H 9 3.910 4.049 -0.139 1
1 19 . 9 1 1 A 9 9 GLY C C 9 174.022 173.921 0.101 1
1 20 . 9 1 1 A 9 9 GLY CA C 9 45.333 43.693 1.640 1
1 21 . 9 1 1 A 9 9 GLY N N 9 110.884 112.131 -1.247 1
1 22 . 9 1 1 A 10 10 GLU H H 10 8.181 8.437 -0.256 1
1 23 . 9 1 1 A 10 10 GLU HA H 10 4.169 4.176 -0.007 1
1 28 . 9 1 1 A 10 10 GLU C C 10 176.268 176.494 -0.226 1
1 29 . 9 1 1 A 10 10 GLU CA C 10 56.763 57.265 -0.502 1
1 30 . 9 1 1 A 10 10 GLU CB C 10 30.508 30.221 0.287 1
1 32 . 9 1 1 A 10 10 GLU N N 10 120.209 120.265 -0.056 1
1 33 . 9 1 1 A 11 11 LYS H H 11 8.281 8.711 -0.430 1
1 34 . 9 1 1 A 11 11 LYS HA H 11 4.497 4.341 0.156 1
1 43 . 9 1 1 A 11 11 LYS C C 11 174.193 176.516 -2.323 1
1 44 . 9 1 1 A 11 11 LYS CA C 11 53.986 54.194 -0.208 1
1 45 . 9 1 1 A 11 11 LYS CB C 11 33.388 31.873 1.515 1
1 49 . 9 1 1 A 11 11 LYS N N 11 121.517 124.375 -2.858 1
1 50 . 9 1 1 A 12 12 PRO HA H 12 4.228 4.379 -0.151 1
1 57 . 9 1 1 A 12 12 PRO C C 12 176.683 176.015 0.668 1
1 58 . 9 1 1 A 12 12 PRO CA C 12 63.784 64.813 -1.029 1
1 59 . 9 1 1 A 12 12 PRO CB C 12 32.369 31.937 0.432 1
1 62 . 9 1 1 A 13 13 TYR H H 13 7.625 7.372 0.253 1
1 63 . 9 1 1 A 13 13 TYR HA H 13 4.660 5.078 -0.418 1
1 70 . 9 1 1 A 13 13 TYR C C 13 174.316 175.131 -0.815 1
1 71 . 9 1 1 A 13 13 TYR CA C 13 57.467 57.614 -0.147 1
1 72 . 9 1 1 A 13 13 TYR CB C 13 38.002 40.934 -2.932 1
1 77 . 9 1 1 A 13 13 TYR N N 13 118.216 118.690 -0.474 1
1 78 . 9 1 1 A 14 14 LYS H H 14 8.546 8.710 -0.164 1
1 79 . 9 1 1 A 14 14 LYS HA H 14 4.958 5.150 -0.192 1
1 88 . 9 1 1 A 14 14 LYS C C 14 175.292 174.523 0.769 1
1 89 . 9 1 1 A 14 14 LYS CA C 14 55.108 55.931 -0.823 1
1 90 . 9 1 1 A 14 14 LYS CB C 14 35.439 35.571 -0.132 1
1 94 . 9 1 1 A 14 14 LYS N N 14 125.098 122.201 2.897 1
1 95 . 9 1 1 A 15 15 CYS H H 15 9.372 9.229 0.143 1
1 96 . 9 1 1 A 15 15 CYS HA H 15 4.607 4.709 -0.102 1
1 99 . 9 1 1 A 15 15 CYS C C 15 177.767 174.838 2.929 1
1 100 . 9 1 1 A 15 15 CYS CA C 15 59.867 59.542 0.325 1
1 101 . 9 1 1 A 15 15 CYS CB C 15 29.766 28.833 0.933 1
1 102 . 9 1 1 A 15 15 CYS N N 15 127.555 124.141 3.414 1
1 103 . 9 1 1 A 16 16 GLN H H 16 9.804 8.969 0.835 1
1 104 . 9 1 1 A 16 16 GLN HA H 16 4.188 4.705 -0.517 1
1 111 . 9 1 1 A 16 16 GLN C C 16 175.874 177.299 -1.425 1
1 112 . 9 1 1 A 16 16 GLN CA C 16 57.670 56.684 0.986 1
1 113 . 9 1 1 A 16 16 GLN CB C 16 28.775 31.244 -2.469 1
1 115 . 9 1 1 A 16 16 GLN N N 16 131.405 122.836 8.569 1
1 117 . 9 1 1 A 17 17 VAL H H 17 9.009 7.895 1.114 1
1 118 . 9 1 1 A 17 17 VAL HA H 17 3.779 3.852 -0.073 1
1 126 . 9 1 1 A 17 17 VAL C C 17 177.068 177.111 -0.043 1
1 127 . 9 1 1 A 17 17 VAL CA C 17 65.146 64.265 0.881 1
1 128 . 9 1 1 A 17 17 VAL CB C 17 32.795 31.486 1.309 1
1 131 . 9 1 1 A 17 17 VAL N N 17 121.843 117.407 4.436 1
1 132 . 9 1 1 A 18 18 CYS H H 18 8.265 7.928 0.337 1
1 133 . 9 1 1 A 18 18 CYS HA H 18 5.152 4.640 0.512 1
1 136 . 9 1 1 A 18 18 CYS C C 18 176.385 175.894 0.491 1
1 137 . 9 1 1 A 18 18 CYS CA C 18 58.209 59.233 -1.024 1
1 138 . 9 1 1 A 18 18 CYS CB C 18 33.029 30.305 2.724 1
1 139 . 9 1 1 A 18 18 CYS N N 18 116.001 117.662 -1.661 1
1 140 . 9 1 1 A 19 19 GLY H H 19 7.873 8.283 -0.410 1
1 141 . 9 1 1 A 19 19 GLY HA2 H 19 4.264 3.960 0.304 1
1 142 . 9 1 1 A 19 19 GLY HA3 H 19 3.769 3.987 -0.218 1
1 143 . 9 1 1 A 19 19 GLY C C 19 173.353 174.833 -1.480 1
1 144 . 9 1 1 A 19 19 GLY CA C 19 46.218 45.591 0.627 1
1 145 . 9 1 1 A 19 19 GLY N N 19 113.243 110.494 2.749 1
1 146 . 9 1 1 A 20 20 LYS H H 20 8.152 7.524 0.628 1
1 147 . 9 1 1 A 20 20 LYS HA H 20 3.894 4.265 -0.371 1
1 156 . 9 1 1 A 20 20 LYS C C 20 173.528 174.969 -1.441 1
1 157 . 9 1 1 A 20 20 LYS CA C 20 58.349 56.163 2.186 1
1 158 . 9 1 1 A 20 20 LYS CB C 20 33.384 34.195 -0.811 1
1 162 . 9 1 1 A 20 20 LYS N N 20 124.409 120.190 4.219 1
1 163 . 9 1 1 A 21 21 ALA H H 21 7.969 7.798 0.171 1
1 164 . 9 1 1 A 21 21 ALA HA H 21 5.197 5.315 -0.118 1
1 168 . 9 1 1 A 21 21 ALA C C 21 175.930 174.881 1.049 1
1 169 . 9 1 1 A 21 21 ALA CA C 21 50.190 50.858 -0.668 1
1 170 . 9 1 1 A 21 21 ALA CB C 21 22.551 23.188 -0.637 1
1 171 . 9 1 1 A 21 21 ALA N N 21 126.194 120.460 5.734 1
1 172 . 9 1 1 A 22 22 PHE H H 22 8.822 8.707 0.115 1
1 173 . 9 1 1 A 22 22 PHE HA H 22 4.845 5.003 -0.158 1
1 181 . 9 1 1 A 22 22 PHE C C 22 175.249 175.763 -0.514 1
1 182 . 9 1 1 A 22 22 PHE CA C 22 57.103 56.398 0.705 1
1 183 . 9 1 1 A 22 22 PHE CB C 22 43.663 41.074 2.589 1
1 189 . 9 1 1 A 22 22 PHE N N 22 116.525 117.449 -0.924 1
1 190 . 9 1 1 A 23 23 ARG H H 23 9.561 8.615 0.946 1
1 191 . 9 1 1 A 23 23 ARG HA H 23 4.491 3.953 0.538 1
1 198 . 9 1 1 A 23 23 ARG C C 23 175.729 175.873 -0.144 1
1 199 . 9 1 1 A 23 23 ARG CA C 23 58.561 58.300 0.261 1
1 200 . 9 1 1 A 23 23 ARG CB C 23 31.997 29.909 2.088 1
1 203 . 9 1 1 A 23 23 ARG N N 23 120.820 123.499 -2.679 1
1 204 . 9 1 1 A 24 24 VAL H H 24 7.327 7.571 -0.244 1
1 205 . 9 1 1 A 24 24 VAL HA H 24 4.446 4.798 -0.352 1
1 213 . 9 1 1 A 24 24 VAL C C 24 176.671 175.932 0.739 1
1 214 . 9 1 1 A 24 24 VAL CA C 24 59.921 59.346 0.575 1
1 215 . 9 1 1 A 24 24 VAL CB C 24 34.347 34.371 -0.024 1
1 218 . 9 1 1 A 24 24 VAL N N 24 112.687 116.388 -3.701 1
1 219 . 9 1 1 A 25 25 SER H H 25 8.506 9.169 -0.663 1
1 220 . 9 1 1 A 25 25 SER HA H 25 2.942 4.125 -1.183 1
1 223 . 9 1 1 A 25 25 SER CA C 25 61.633 61.205 0.428 1
1 224 . 9 1 1 A 25 25 SER CB C 25 61.752 62.461 -0.709 1
1 225 . 9 1 1 A 25 25 SER N N 25 123.315 119.838 3.477 1
1 226 . 9 1 1 A 26 26 SER HA H 26 3.990 4.167 -0.177 1
1 229 . 9 1 1 A 26 26 SER CA C 26 61.102 61.928 -0.826 1
1 230 . 9 1 1 A 26 26 SER CB C 26 61.860 63.041 -1.181 1
1 231 . 9 1 1 A 27 27 HIS H H 27 7.148 8.605 -1.457 1
1 232 . 9 1 1 A 27 27 HIS HA H 27 4.405 4.264 0.141 1
1 237 . 9 1 1 A 27 27 HIS CA C 27 56.698 59.328 -2.630 1
1 238 . 9 1 1 A 27 27 HIS CB C 27 30.201 30.154 0.047 1
1 241 . 9 1 1 A 27 27 HIS N N 27 120.679 119.266 1.413 1
1 242 . 9 1 1 A 28 28 LEU H H 28 6.828 7.931 -1.103 1
1 243 . 9 1 1 A 28 28 LEU HA H 28 3.317 2.128 1.189 1
1 253 . 9 1 1 A 28 28 LEU C C 28 176.993 178.315 -1.322 1
1 254 . 9 1 1 A 28 28 LEU CA C 28 57.560 57.536 0.024 1
1 255 . 9 1 1 A 28 28 LEU CB C 28 39.868 41.013 -1.145 1
1 259 . 9 1 1 A 28 28 LEU N N 28 121.970 120.465 1.505 1
1 260 . 9 1 1 A 29 29 VAL H H 29 7.609 8.473 -0.864 1
1 261 . 9 1 1 A 29 29 VAL HA H 29 3.462 3.585 -0.123 1
1 269 . 9 1 1 A 29 29 VAL C C 29 179.326 177.781 1.545 1
1 270 . 9 1 1 A 29 29 VAL CA C 29 66.493 66.799 -0.306 1
1 271 . 9 1 1 A 29 29 VAL CB C 29 31.478 31.526 -0.048 1
1 274 . 9 1 1 A 29 29 VAL N N 29 118.483 118.687 -0.204 1
1 275 . 9 1 1 A 30 30 GLN H H 30 7.549 7.983 -0.434 1
1 276 . 9 1 1 A 30 30 GLN HA H 30 4.023 4.059 -0.036 1
1 283 . 9 1 1 A 30 30 GLN C C 30 177.980 178.203 -0.223 1
1 284 . 9 1 1 A 30 30 GLN CA C 30 58.484 58.368 0.116 1
1 285 . 9 1 1 A 30 30 GLN CB C 30 28.527 28.631 -0.104 1
1 287 . 9 1 1 A 30 30 GLN N N 30 117.542 118.228 -0.686 1
1 289 . 9 1 1 A 31 31 HIS H H 31 7.580 7.840 -0.260 1
1 290 . 9 1 1 A 31 31 HIS HA H 31 4.246 4.154 0.092 1
1 295 . 9 1 1 A 31 31 HIS C C 31 175.449 176.724 -1.275 1
1 296 . 9 1 1 A 31 31 HIS CA C 31 58.704 57.953 0.751 1
1 297 . 9 1 1 A 31 31 HIS CB C 31 28.598 30.122 -1.524 1
1 300 . 9 1 1 A 31 31 HIS N N 31 119.448 120.818 -1.370 1
1 301 . 9 1 1 A 32 32 HIS H H 32 7.954 7.763 0.191 1
1 302 . 9 1 1 A 32 32 HIS HA H 32 4.254 4.352 -0.098 1
1 307 . 9 1 1 A 32 32 HIS C C 32 177.828 176.151 1.677 1
1 308 . 9 1 1 A 32 32 HIS CA C 32 59.496 57.962 1.534 1
1 309 . 9 1 1 A 32 32 HIS CB C 32 30.445 29.221 1.224 1
1 312 . 9 1 1 A 32 32 HIS N N 32 116.367 115.874 0.493 1
1 313 . 9 1 1 A 33 33 SER H H 33 7.525 7.651 -0.126 1
1 314 . 9 1 1 A 33 33 SER HA H 33 4.227 4.624 -0.397 1
1 317 . 9 1 1 A 33 33 SER C C 33 176.339 174.681 1.658 1
1 318 . 9 1 1 A 33 33 SER CA C 33 61.325 57.983 3.342 1
1 319 . 9 1 1 A 33 33 SER CB C 33 63.097 63.750 -0.653 1
1 320 . 9 1 1 A 33 33 SER N N 33 113.090 112.403 0.687 1
1 321 . 9 1 1 A 34 34 VAL H H 34 7.958 7.599 0.359 1
1 322 . 9 1 1 A 34 34 VAL HA H 34 3.890 3.795 0.095 1
1 330 . 9 1 1 A 34 34 VAL C C 34 177.101 176.239 0.862 1
1 331 . 9 1 1 A 34 34 VAL CA C 34 64.137 65.411 -1.274 1
1 332 . 9 1 1 A 34 34 VAL CB C 34 31.047 31.123 -0.076 1
1 335 . 9 1 1 A 34 34 VAL N N 34 119.960 119.262 0.698 1
1 336 . 9 1 1 A 35 35 HIS H H 35 7.191 7.257 -0.066 1
1 337 . 9 1 1 A 35 35 HIS HA H 35 4.945 4.649 0.296 1
1 342 . 9 1 1 A 35 35 HIS C C 35 175.350 174.078 1.272 1
1 343 . 9 1 1 A 35 35 HIS CA C 35 54.443 55.647 -1.204 1
1 344 . 9 1 1 A 35 35 HIS CB C 35 28.590 29.012 -0.422 1
1 347 . 9 1 1 A 35 35 HIS N N 35 116.514 120.084 -3.570 1
1 348 . 9 1 1 A 36 36 SER H H 36 7.762 7.683 0.079 1
1 349 . 9 1 1 A 36 36 SER HA H 36 4.393 5.104 -0.711 1
1 352 . 9 1 1 A 36 36 SER C C 36 175.126 173.154 1.972 1
1 353 . 9 1 1 A 36 36 SER CA C 36 59.210 56.690 2.520 1
1 354 . 9 1 1 A 36 36 SER CB C 36 63.861 65.521 -1.660 1
1 355 . 9 1 1 A 36 36 SER N N 36 115.134 111.467 3.667 1
1 356 . 9 1 1 A 37 37 GLY H H 37 8.425 8.527 -0.102 1
1 357 . 9 1 1 A 37 37 GLY HA2 H 37 3.964 4.205 -0.241 1
1 358 . 9 1 1 A 37 37 GLY HA3 H 37 3.907 4.209 -0.302 1
1 359 . 9 1 1 A 37 37 GLY C C 37 174.055 172.159 1.896 1
1 360 . 9 1 1 A 37 37 GLY CA C 37 45.265 46.232 -0.967 1
1 361 . 9 1 1 A 37 37 GLY N N 37 110.975 109.281 1.694 1
1 362 . 9 1 1 A 38 38 GLU H H 38 8.081 8.359 -0.278 1
1 363 . 9 1 1 A 38 38 GLU HA H 38 4.274 4.480 -0.206 1
1 368 . 9 1 1 A 38 38 GLU C C 38 176.219 176.527 -0.308 1
1 369 . 9 1 1 A 38 38 GLU CA C 38 56.377 55.787 0.590 1
1 370 . 9 1 1 A 38 38 GLU CB C 38 30.527 31.148 -0.621 1
1 372 . 9 1 1 A 38 38 GLU N N 38 120.346 121.565 -1.219 1
1 373 . 9 1 1 A 39 39 ARG H H 39 8.425 8.516 -0.091 1
1 374 . 9 1 1 A 39 39 ARG HA H 39 4.625 4.613 0.012 1
1 381 . 9 1 1 A 39 39 ARG C C 39 174.184 174.390 -0.206 1
1 382 . 9 1 1 A 39 39 ARG CA C 39 53.852 53.875 -0.023 1
1 383 . 9 1 1 A 39 39 ARG CB C 39 30.221 30.172 0.049 1
1 386 . 9 1 1 A 39 39 ARG N N 39 123.241 123.193 0.048 1
1 387 . 9 1 1 A 40 40 PRO HA H 40 4.466 4.630 -0.164 1
1 394 . 9 1 1 A 40 40 PRO CA C 40 63.232 62.377 0.855 1
1 395 . 9 1 1 A 40 40 PRO CB C 40 32.199 32.533 -0.334 1
1 398 . 9 1 1 A 41 41 SER H H 41 8.477 8.483 -0.006 1
1 399 . 9 1 1 A 41 41 SER HA H 41 4.465 5.294 -0.829 1
1 402 . 9 1 1 A 41 41 SER CA C 41 63.248 56.710 6.538 1
1 403 . 9 1 1 A 41 41 SER CB C 41 63.863 65.681 -1.818 1
1 404 . 9 1 1 A 41 41 SER N N 41 116.446 115.309 1.137 1
1 405 . 9 1 1 A 42 42 GLY HA2 H 42 4.150 4.180 -0.030 1
1 406 . 9 1 1 A 42 42 GLY HA3 H 42 4.111 4.180 -0.069 1
1 407 . 9 1 1 A 42 42 GLY CA C 42 44.694 44.508 0.186 1
1 408 . 9 1 1 A 43 43 PRO HA H 43 4.466 4.775 -0.309 1
1 415 . 9 1 1 A 43 43 PRO CA C 43 63.257 62.595 0.662 1
1 416 . 9 1 1 A 43 43 PRO CB C 43 32.200 31.503 0.697 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 4.033 3.947 0.086 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 4.033 3.957 0.076 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.569 174.467 0.102 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.511 46.627 -1.116 1
1 5 . 10 1 1 A 8 8 THR H H 8 8.149 8.076 0.073 1
1 6 . 10 1 1 A 8 8 THR HA H 8 4.347 4.413 -0.066 1
1 11 . 10 1 1 A 8 8 THR C C 8 175.234 172.999 2.235 1
1 12 . 10 1 1 A 8 8 THR CA C 8 61.859 60.759 1.100 1
1 13 . 10 1 1 A 8 8 THR CB C 8 69.813 67.490 2.323 1
1 15 . 10 1 1 A 8 8 THR N N 8 112.732 116.488 -3.756 1
1 16 . 10 1 1 A 9 9 GLY H H 9 8.453 7.981 0.472 1
1 17 . 10 1 1 A 9 9 GLY HA2 H 9 3.962 4.342 -0.380 1
1 18 . 10 1 1 A 9 9 GLY HA3 H 9 3.910 4.350 -0.440 1
1 19 . 10 1 1 A 9 9 GLY C C 9 174.022 172.761 1.261 1
1 20 . 10 1 1 A 9 9 GLY CA C 9 45.333 44.709 0.624 1
1 21 . 10 1 1 A 9 9 GLY N N 9 110.884 114.517 -3.633 1
1 22 . 10 1 1 A 10 10 GLU H H 10 8.181 8.867 -0.686 1
1 23 . 10 1 1 A 10 10 GLU HA H 10 4.169 5.029 -0.860 1
1 28 . 10 1 1 A 10 10 GLU C C 10 176.268 175.361 0.907 1
1 29 . 10 1 1 A 10 10 GLU CA C 10 56.763 55.353 1.410 1
1 30 . 10 1 1 A 10 10 GLU CB C 10 30.508 31.296 -0.788 1
1 32 . 10 1 1 A 10 10 GLU N N 10 120.209 119.890 0.319 1
1 33 . 10 1 1 A 11 11 LYS H H 11 8.281 8.778 -0.497 1
1 34 . 10 1 1 A 11 11 LYS HA H 11 4.497 4.423 0.074 1
1 43 . 10 1 1 A 11 11 LYS C C 11 174.193 176.465 -2.272 1
1 44 . 10 1 1 A 11 11 LYS CA C 11 53.986 53.996 -0.010 1
1 45 . 10 1 1 A 11 11 LYS CB C 11 33.388 31.607 1.781 1
1 49 . 10 1 1 A 11 11 LYS N N 11 121.517 125.131 -3.614 1
1 50 . 10 1 1 A 12 12 PRO HA H 12 4.228 4.342 -0.114 1
1 57 . 10 1 1 A 12 12 PRO C C 12 176.683 176.071 0.612 1
1 58 . 10 1 1 A 12 12 PRO CA C 12 63.784 64.864 -1.080 1
1 59 . 10 1 1 A 12 12 PRO CB C 12 32.369 31.870 0.499 1
1 62 . 10 1 1 A 13 13 TYR H H 13 7.625 7.402 0.223 1
1 63 . 10 1 1 A 13 13 TYR HA H 13 4.660 5.071 -0.411 1
1 70 . 10 1 1 A 13 13 TYR C C 13 174.316 174.352 -0.036 1
1 71 . 10 1 1 A 13 13 TYR CA C 13 57.467 56.801 0.666 1
1 72 . 10 1 1 A 13 13 TYR CB C 13 38.002 39.530 -1.528 1
1 77 . 10 1 1 A 13 13 TYR N N 13 118.216 117.776 0.440 1
1 78 . 10 1 1 A 14 14 LYS H H 14 8.546 9.189 -0.643 1
1 79 . 10 1 1 A 14 14 LYS HA H 14 4.958 5.541 -0.583 1
1 88 . 10 1 1 A 14 14 LYS C C 14 175.292 174.874 0.418 1
1 89 . 10 1 1 A 14 14 LYS CA C 14 55.108 54.421 0.687 1
1 90 . 10 1 1 A 14 14 LYS CB C 14 35.439 36.277 -0.838 1
1 94 . 10 1 1 A 14 14 LYS N N 14 125.098 125.176 -0.078 1
1 95 . 10 1 1 A 15 15 CYS H H 15 9.372 9.534 -0.162 1
1 96 . 10 1 1 A 15 15 CYS HA H 15 4.607 4.770 -0.163 1
1 99 . 10 1 1 A 15 15 CYS C C 15 177.767 174.836 2.931 1
1 100 . 10 1 1 A 15 15 CYS CA C 15 59.867 59.343 0.524 1
1 101 . 10 1 1 A 15 15 CYS CB C 15 29.766 28.954 0.812 1
1 102 . 10 1 1 A 15 15 CYS N N 15 127.555 124.332 3.223 1
1 103 . 10 1 1 A 16 16 GLN H H 16 9.804 9.043 0.761 1
1 104 . 10 1 1 A 16 16 GLN HA H 16 4.188 4.697 -0.509 1
1 111 . 10 1 1 A 16 16 GLN C C 16 175.874 177.380 -1.506 1
1 112 . 10 1 1 A 16 16 GLN CA C 16 57.670 56.813 0.857 1
1 113 . 10 1 1 A 16 16 GLN CB C 16 28.775 31.224 -2.449 1
1 115 . 10 1 1 A 16 16 GLN N N 16 131.405 122.758 8.647 1
1 117 . 10 1 1 A 17 17 VAL H H 17 9.009 7.968 1.041 1
1 118 . 10 1 1 A 17 17 VAL HA H 17 3.779 3.823 -0.044 1
1 126 . 10 1 1 A 17 17 VAL C C 17 177.068 177.310 -0.242 1
1 127 . 10 1 1 A 17 17 VAL CA C 17 65.146 64.454 0.692 1
1 128 . 10 1 1 A 17 17 VAL CB C 17 32.795 31.413 1.382 1
1 131 . 10 1 1 A 17 17 VAL N N 17 121.843 117.664 4.179 1
1 132 . 10 1 1 A 18 18 CYS H H 18 8.265 7.882 0.383 1
1 133 . 10 1 1 A 18 18 CYS HA H 18 5.152 4.647 0.505 1
1 136 . 10 1 1 A 18 18 CYS C C 18 176.385 176.041 0.344 1
1 137 . 10 1 1 A 18 18 CYS CA C 18 58.209 59.226 -1.017 1
1 138 . 10 1 1 A 18 18 CYS CB C 18 33.029 30.440 2.589 1
1 139 . 10 1 1 A 18 18 CYS N N 18 116.001 117.065 -1.064 1
1 140 . 10 1 1 A 19 19 GLY H H 19 7.873 8.177 -0.304 1
1 141 . 10 1 1 A 19 19 GLY HA2 H 19 4.264 3.961 0.303 1
1 142 . 10 1 1 A 19 19 GLY HA3 H 19 3.769 3.989 -0.220 1
1 143 . 10 1 1 A 19 19 GLY C C 19 173.353 174.854 -1.501 1
1 144 . 10 1 1 A 19 19 GLY CA C 19 46.218 45.689 0.529 1
1 145 . 10 1 1 A 19 19 GLY N N 19 113.243 110.525 2.718 1
1 146 . 10 1 1 A 20 20 LYS H H 20 8.152 7.544 0.608 1
1 147 . 10 1 1 A 20 20 LYS HA H 20 3.894 4.272 -0.378 1
1 156 . 10 1 1 A 20 20 LYS C C 20 173.528 174.948 -1.420 1
1 157 . 10 1 1 A 20 20 LYS CA C 20 58.349 56.234 2.115 1
1 158 . 10 1 1 A 20 20 LYS CB C 20 33.384 34.092 -0.708 1
1 162 . 10 1 1 A 20 20 LYS N N 20 124.409 120.360 4.049 1
1 163 . 10 1 1 A 21 21 ALA H H 21 7.969 7.798 0.171 1
1 164 . 10 1 1 A 21 21 ALA HA H 21 5.197 5.364 -0.167 1
1 168 . 10 1 1 A 21 21 ALA C C 21 175.930 174.760 1.170 1
1 169 . 10 1 1 A 21 21 ALA CA C 21 50.190 50.843 -0.653 1
1 170 . 10 1 1 A 21 21 ALA CB C 21 22.551 23.520 -0.969 1
1 171 . 10 1 1 A 21 21 ALA N N 21 126.194 120.621 5.573 1
1 172 . 10 1 1 A 22 22 PHE H H 22 8.822 8.852 -0.030 1
1 173 . 10 1 1 A 22 22 PHE HA H 22 4.845 4.974 -0.129 1
1 181 . 10 1 1 A 22 22 PHE C C 22 175.249 175.542 -0.293 1
1 182 . 10 1 1 A 22 22 PHE CA C 22 57.103 56.405 0.698 1
1 183 . 10 1 1 A 22 22 PHE CB C 22 43.663 42.627 1.036 1
1 189 . 10 1 1 A 22 22 PHE N N 22 116.525 116.695 -0.170 1
1 190 . 10 1 1 A 23 23 ARG H H 23 9.561 8.771 0.790 1
1 191 . 10 1 1 A 23 23 ARG HA H 23 4.491 3.970 0.521 1
1 198 . 10 1 1 A 23 23 ARG C C 23 175.729 176.221 -0.492 1
1 199 . 10 1 1 A 23 23 ARG CA C 23 58.561 58.456 0.105 1
1 200 . 10 1 1 A 23 23 ARG CB C 23 31.997 29.941 2.056 1
1 203 . 10 1 1 A 23 23 ARG N N 23 120.820 123.850 -3.030 1
1 204 . 10 1 1 A 24 24 VAL H H 24 7.327 7.622 -0.295 1
1 205 . 10 1 1 A 24 24 VAL HA H 24 4.446 4.682 -0.236 1
1 213 . 10 1 1 A 24 24 VAL C C 24 176.671 175.747 0.924 1
1 214 . 10 1 1 A 24 24 VAL CA C 24 59.921 59.699 0.222 1
1 215 . 10 1 1 A 24 24 VAL CB C 24 34.347 34.279 0.068 1
1 218 . 10 1 1 A 24 24 VAL N N 24 112.687 117.187 -4.500 1
1 219 . 10 1 1 A 25 25 SER H H 25 8.506 8.945 -0.439 1
1 220 . 10 1 1 A 25 25 SER HA H 25 2.942 4.348 -1.406 1
1 223 . 10 1 1 A 25 25 SER CA C 25 61.633 60.917 0.716 1
1 224 . 10 1 1 A 25 25 SER CB C 25 61.752 63.350 -1.598 1
1 225 . 10 1 1 A 25 25 SER N N 25 123.315 118.012 5.303 1
1 226 . 10 1 1 A 26 26 SER HA H 26 3.990 4.210 -0.220 1
1 229 . 10 1 1 A 26 26 SER CA C 26 61.102 61.593 -0.491 1
1 230 . 10 1 1 A 26 26 SER CB C 26 61.860 62.491 -0.631 1
1 231 . 10 1 1 A 27 27 HIS H H 27 7.148 7.837 -0.689 1
1 232 . 10 1 1 A 27 27 HIS HA H 27 4.405 4.311 0.094 1
1 237 . 10 1 1 A 27 27 HIS CA C 27 56.698 59.364 -2.666 1
1 238 . 10 1 1 A 27 27 HIS CB C 27 30.201 29.582 0.619 1
1 241 . 10 1 1 A 27 27 HIS N N 27 120.679 118.877 1.802 1
1 242 . 10 1 1 A 28 28 LEU H H 28 6.828 8.011 -1.183 1
1 243 . 10 1 1 A 28 28 LEU HA H 28 3.317 2.178 1.139 1
1 253 . 10 1 1 A 28 28 LEU C C 28 176.993 178.409 -1.416 1
1 254 . 10 1 1 A 28 28 LEU CA C 28 57.560 57.290 0.270 1
1 255 . 10 1 1 A 28 28 LEU CB C 28 39.868 41.669 -1.801 1
1 259 . 10 1 1 A 28 28 LEU N N 28 121.970 120.243 1.727 1
1 260 . 10 1 1 A 29 29 VAL H H 29 7.609 7.741 -0.132 1
1 261 . 10 1 1 A 29 29 VAL HA H 29 3.462 3.619 -0.157 1
1 269 . 10 1 1 A 29 29 VAL C C 29 179.326 178.125 1.201 1
1 270 . 10 1 1 A 29 29 VAL CA C 29 66.493 66.647 -0.154 1
1 271 . 10 1 1 A 29 29 VAL CB C 29 31.478 31.778 -0.300 1
1 274 . 10 1 1 A 29 29 VAL N N 29 118.483 118.290 0.193 1
1 275 . 10 1 1 A 30 30 GLN H H 30 7.549 7.800 -0.251 1
1 276 . 10 1 1 A 30 30 GLN HA H 30 4.023 4.037 -0.014 1
1 283 . 10 1 1 A 30 30 GLN C C 30 177.980 178.152 -0.172 1
1 284 . 10 1 1 A 30 30 GLN CA C 30 58.484 58.255 0.229 1
1 285 . 10 1 1 A 30 30 GLN CB C 30 28.527 28.866 -0.339 1
1 287 . 10 1 1 A 30 30 GLN N N 30 117.542 117.835 -0.293 1
1 289 . 10 1 1 A 31 31 HIS H H 31 7.580 7.789 -0.209 1
1 290 . 10 1 1 A 31 31 HIS HA H 31 4.246 4.169 0.077 1
1 295 . 10 1 1 A 31 31 HIS C C 31 175.449 176.693 -1.244 1
1 296 . 10 1 1 A 31 31 HIS CA C 31 58.704 58.321 0.383 1
1 297 . 10 1 1 A 31 31 HIS CB C 31 28.598 29.936 -1.338 1
1 300 . 10 1 1 A 31 31 HIS N N 31 119.448 120.883 -1.435 1
1 301 . 10 1 1 A 32 32 HIS H H 32 7.954 7.702 0.252 1
1 302 . 10 1 1 A 32 32 HIS HA H 32 4.254 4.313 -0.059 1
1 307 . 10 1 1 A 32 32 HIS C C 32 177.828 176.181 1.647 1
1 308 . 10 1 1 A 32 32 HIS CA C 32 59.496 58.187 1.309 1
1 309 . 10 1 1 A 32 32 HIS CB C 32 30.445 29.332 1.113 1
1 312 . 10 1 1 A 32 32 HIS N N 32 116.367 115.834 0.533 1
1 313 . 10 1 1 A 33 33 SER H H 33 7.525 7.681 -0.156 1
1 314 . 10 1 1 A 33 33 SER HA H 33 4.227 4.656 -0.429 1
1 317 . 10 1 1 A 33 33 SER C C 33 176.339 174.627 1.712 1
1 318 . 10 1 1 A 33 33 SER CA C 33 61.325 57.925 3.400 1
1 319 . 10 1 1 A 33 33 SER CB C 33 63.097 63.692 -0.595 1
1 320 . 10 1 1 A 33 33 SER N N 33 113.090 112.076 1.014 1
1 321 . 10 1 1 A 34 34 VAL H H 34 7.958 7.646 0.312 1
1 322 . 10 1 1 A 34 34 VAL HA H 34 3.890 3.866 0.024 1
1 330 . 10 1 1 A 34 34 VAL C C 34 177.101 176.598 0.503 1
1 331 . 10 1 1 A 34 34 VAL CA C 34 64.137 64.630 -0.493 1
1 332 . 10 1 1 A 34 34 VAL CB C 34 31.047 31.398 -0.351 1
1 335 . 10 1 1 A 34 34 VAL N N 34 119.960 119.830 0.130 1
1 336 . 10 1 1 A 35 35 HIS H H 35 7.191 7.447 -0.256 1
1 337 . 10 1 1 A 35 35 HIS HA H 35 4.945 4.486 0.459 1
1 342 . 10 1 1 A 35 35 HIS C C 35 175.350 176.334 -0.984 1
1 343 . 10 1 1 A 35 35 HIS CA C 35 54.443 57.898 -3.455 1
1 344 . 10 1 1 A 35 35 HIS CB C 35 28.590 31.054 -2.464 1
1 347 . 10 1 1 A 35 35 HIS N N 35 116.514 120.176 -3.662 1
1 348 . 10 1 1 A 36 36 SER H H 36 7.762 7.787 -0.025 1
1 349 . 10 1 1 A 36 36 SER HA H 36 4.393 4.476 -0.083 1
1 352 . 10 1 1 A 36 36 SER C C 36 175.126 173.662 1.464 1
1 353 . 10 1 1 A 36 36 SER CA C 36 59.210 58.430 0.780 1
1 354 . 10 1 1 A 36 36 SER CB C 36 63.861 63.565 0.296 1
1 355 . 10 1 1 A 36 36 SER N N 36 115.134 112.657 2.477 1
1 356 . 10 1 1 A 37 37 GLY H H 37 8.425 7.860 0.565 1
1 357 . 10 1 1 A 37 37 GLY HA2 H 37 3.964 3.954 0.010 1
1 358 . 10 1 1 A 37 37 GLY HA3 H 37 3.907 3.957 -0.050 1
1 359 . 10 1 1 A 37 37 GLY C C 37 174.055 175.300 -1.245 1
1 360 . 10 1 1 A 37 37 GLY CA C 37 45.265 45.989 -0.724 1
1 361 . 10 1 1 A 37 37 GLY N N 37 110.975 109.116 1.859 1
1 362 . 10 1 1 A 38 38 GLU H H 38 8.081 8.592 -0.511 1
1 363 . 10 1 1 A 38 38 GLU HA H 38 4.274 4.305 -0.031 1
1 368 . 10 1 1 A 38 38 GLU C C 38 176.219 176.171 0.048 1
1 369 . 10 1 1 A 38 38 GLU CA C 38 56.377 56.741 -0.364 1
1 370 . 10 1 1 A 38 38 GLU CB C 38 30.527 29.937 0.590 1
1 372 . 10 1 1 A 38 38 GLU N N 38 120.346 121.326 -0.980 1
1 373 . 10 1 1 A 39 39 ARG H H 39 8.425 7.606 0.819 1
1 374 . 10 1 1 A 39 39 ARG HA H 39 4.625 4.761 -0.136 1
1 381 . 10 1 1 A 39 39 ARG C C 39 174.184 173.184 1.000 1
1 382 . 10 1 1 A 39 39 ARG CA C 39 53.852 54.623 -0.771 1
1 383 . 10 1 1 A 39 39 ARG CB C 39 30.221 32.556 -2.335 1
1 386 . 10 1 1 A 39 39 ARG N N 39 123.241 117.037 6.204 1
1 387 . 10 1 1 A 40 40 PRO HA H 40 4.466 4.704 -0.238 1
1 394 . 10 1 1 A 40 40 PRO CA C 40 63.232 62.577 0.655 1
1 395 . 10 1 1 A 40 40 PRO CB C 40 32.199 30.239 1.960 1
1 398 . 10 1 1 A 41 41 SER H H 41 8.477 8.242 0.235 1
1 399 . 10 1 1 A 41 41 SER HA H 41 4.465 5.137 -0.672 1
1 402 . 10 1 1 A 41 41 SER CA C 41 63.248 57.057 6.191 1
1 403 . 10 1 1 A 41 41 SER CB C 41 63.863 66.750 -2.887 1
1 404 . 10 1 1 A 41 41 SER N N 41 116.446 113.695 2.751 1
1 405 . 10 1 1 A 42 42 GLY HA2 H 42 4.150 4.204 -0.054 1
1 406 . 10 1 1 A 42 42 GLY HA3 H 42 4.111 4.205 -0.094 1
1 407 . 10 1 1 A 42 42 GLY CA C 42 44.694 45.789 -1.095 1
1 408 . 10 1 1 A 43 43 PRO HA H 43 4.466 4.365 0.101 1
1 415 . 10 1 1 A 43 43 PRO CA C 43 63.257 64.902 -1.645 1
1 416 . 10 1 1 A 43 43 PRO CB C 43 32.200 31.983 0.217 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 4.033 4.030 0.003 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 4.033 4.031 0.002 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.569 174.662 -0.093 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.511 44.766 0.745 1
1 5 . 11 1 1 A 8 8 THR H H 8 8.149 8.616 -0.467 1
1 6 . 11 1 1 A 8 8 THR HA H 8 4.347 3.975 0.372 1
1 11 . 11 1 1 A 8 8 THR C C 8 175.234 174.599 0.635 1
1 12 . 11 1 1 A 8 8 THR CA C 8 61.859 64.414 -2.555 1
1 13 . 11 1 1 A 8 8 THR CB C 8 69.813 69.663 0.150 1
1 15 . 11 1 1 A 8 8 THR N N 8 112.732 116.594 -3.862 1
1 16 . 11 1 1 A 9 9 GLY H H 9 8.453 8.000 0.453 1
1 17 . 11 1 1 A 9 9 GLY HA2 H 9 3.962 3.875 0.087 1
1 18 . 11 1 1 A 9 9 GLY HA3 H 9 3.910 3.877 0.033 1
1 19 . 11 1 1 A 9 9 GLY C C 9 174.022 174.580 -0.558 1
1 20 . 11 1 1 A 9 9 GLY CA C 9 45.333 46.968 -1.635 1
1 21 . 11 1 1 A 9 9 GLY N N 9 110.884 109.395 1.489 1
1 22 . 11 1 1 A 10 10 GLU H H 10 8.181 8.296 -0.115 1
1 23 . 11 1 1 A 10 10 GLU HA H 10 4.169 4.397 -0.228 1
1 28 . 11 1 1 A 10 10 GLU C C 10 176.268 176.437 -0.169 1
1 29 . 11 1 1 A 10 10 GLU CA C 10 56.763 55.778 0.985 1
1 30 . 11 1 1 A 10 10 GLU CB C 10 30.508 30.512 -0.004 1
1 32 . 11 1 1 A 10 10 GLU N N 10 120.209 120.335 -0.126 1
1 33 . 11 1 1 A 11 11 LYS H H 11 8.281 8.537 -0.256 1
1 34 . 11 1 1 A 11 11 LYS HA H 11 4.497 4.188 0.309 1
1 43 . 11 1 1 A 11 11 LYS C C 11 174.193 176.621 -2.428 1
1 44 . 11 1 1 A 11 11 LYS CA C 11 53.986 54.780 -0.794 1
1 45 . 11 1 1 A 11 11 LYS CB C 11 33.388 31.675 1.713 1
1 49 . 11 1 1 A 11 11 LYS N N 11 121.517 124.966 -3.449 1
1 50 . 11 1 1 A 12 12 PRO HA H 12 4.228 4.308 -0.080 1
1 57 . 11 1 1 A 12 12 PRO C C 12 176.683 176.044 0.639 1
1 58 . 11 1 1 A 12 12 PRO CA C 12 63.784 64.978 -1.194 1
1 59 . 11 1 1 A 12 12 PRO CB C 12 32.369 31.688 0.681 1
1 62 . 11 1 1 A 13 13 TYR H H 13 7.625 7.461 0.164 1
1 63 . 11 1 1 A 13 13 TYR HA H 13 4.660 5.046 -0.386 1
1 70 . 11 1 1 A 13 13 TYR C C 13 174.316 174.546 -0.230 1
1 71 . 11 1 1 A 13 13 TYR CA C 13 57.467 57.285 0.182 1
1 72 . 11 1 1 A 13 13 TYR CB C 13 38.002 39.855 -1.853 1
1 77 . 11 1 1 A 13 13 TYR N N 13 118.216 117.954 0.262 1
1 78 . 11 1 1 A 14 14 LYS H H 14 8.546 8.973 -0.427 1
1 79 . 11 1 1 A 14 14 LYS HA H 14 4.958 5.472 -0.514 1
1 88 . 11 1 1 A 14 14 LYS C C 14 175.292 174.850 0.442 1
1 89 . 11 1 1 A 14 14 LYS CA C 14 55.108 54.643 0.465 1
1 90 . 11 1 1 A 14 14 LYS CB C 14 35.439 36.262 -0.823 1
1 94 . 11 1 1 A 14 14 LYS N N 14 125.098 124.362 0.736 1
1 95 . 11 1 1 A 15 15 CYS H H 15 9.372 9.191 0.181 1
1 96 . 11 1 1 A 15 15 CYS HA H 15 4.607 4.656 -0.049 1
1 99 . 11 1 1 A 15 15 CYS C C 15 177.767 174.803 2.964 1
1 100 . 11 1 1 A 15 15 CYS CA C 15 59.867 59.420 0.447 1
1 101 . 11 1 1 A 15 15 CYS CB C 15 29.766 28.842 0.924 1
1 102 . 11 1 1 A 15 15 CYS N N 15 127.555 124.509 3.046 1
1 103 . 11 1 1 A 16 16 GLN H H 16 9.804 8.919 0.885 1
1 104 . 11 1 1 A 16 16 GLN HA H 16 4.188 4.670 -0.482 1
1 111 . 11 1 1 A 16 16 GLN C C 16 175.874 177.368 -1.494 1
1 112 . 11 1 1 A 16 16 GLN CA C 16 57.670 56.783 0.887 1
1 113 . 11 1 1 A 16 16 GLN CB C 16 28.775 31.222 -2.447 1
1 115 . 11 1 1 A 16 16 GLN N N 16 131.405 122.724 8.681 1
1 117 . 11 1 1 A 17 17 VAL H H 17 9.009 7.947 1.062 1
1 118 . 11 1 1 A 17 17 VAL HA H 17 3.779 3.833 -0.054 1
1 126 . 11 1 1 A 17 17 VAL C C 17 177.068 177.292 -0.224 1
1 127 . 11 1 1 A 17 17 VAL CA C 17 65.146 64.333 0.813 1
1 128 . 11 1 1 A 17 17 VAL CB C 17 32.795 31.442 1.353 1
1 131 . 11 1 1 A 17 17 VAL N N 17 121.843 117.662 4.181 1
1 132 . 11 1 1 A 18 18 CYS H H 18 8.265 7.884 0.381 1
1 133 . 11 1 1 A 18 18 CYS HA H 18 5.152 4.624 0.528 1
1 136 . 11 1 1 A 18 18 CYS C C 18 176.385 175.894 0.491 1
1 137 . 11 1 1 A 18 18 CYS CA C 18 58.209 59.204 -0.995 1
1 138 . 11 1 1 A 18 18 CYS CB C 18 33.029 30.196 2.833 1
1 139 . 11 1 1 A 18 18 CYS N N 18 116.001 117.540 -1.539 1
1 140 . 11 1 1 A 19 19 GLY H H 19 7.873 8.244 -0.371 1
1 141 . 11 1 1 A 19 19 GLY HA2 H 19 4.264 3.942 0.322 1
1 142 . 11 1 1 A 19 19 GLY HA3 H 19 3.769 3.964 -0.195 1
1 143 . 11 1 1 A 19 19 GLY C C 19 173.353 174.810 -1.457 1
1 144 . 11 1 1 A 19 19 GLY CA C 19 46.218 45.657 0.561 1
1 145 . 11 1 1 A 19 19 GLY N N 19 113.243 110.514 2.729 1
1 146 . 11 1 1 A 20 20 LYS H H 20 8.152 7.487 0.665 1
1 147 . 11 1 1 A 20 20 LYS HA H 20 3.894 4.269 -0.375 1
1 156 . 11 1 1 A 20 20 LYS C C 20 173.528 174.764 -1.236 1
1 157 . 11 1 1 A 20 20 LYS CA C 20 58.349 56.022 2.327 1
1 158 . 11 1 1 A 20 20 LYS CB C 20 33.384 34.142 -0.758 1
1 162 . 11 1 1 A 20 20 LYS N N 20 124.409 120.045 4.364 1
1 163 . 11 1 1 A 21 21 ALA H H 21 7.969 7.674 0.295 1
1 164 . 11 1 1 A 21 21 ALA HA H 21 5.197 5.276 -0.079 1
1 168 . 11 1 1 A 21 21 ALA C C 21 175.930 174.701 1.229 1
1 169 . 11 1 1 A 21 21 ALA CA C 21 50.190 50.710 -0.520 1
1 170 . 11 1 1 A 21 21 ALA CB C 21 22.551 23.406 -0.855 1
1 171 . 11 1 1 A 21 21 ALA N N 21 126.194 120.491 5.703 1
1 172 . 11 1 1 A 22 22 PHE H H 22 8.822 8.809 0.013 1
1 173 . 11 1 1 A 22 22 PHE HA H 22 4.845 4.999 -0.154 1
1 181 . 11 1 1 A 22 22 PHE C C 22 175.249 175.501 -0.252 1
1 182 . 11 1 1 A 22 22 PHE CA C 22 57.103 56.405 0.698 1
1 183 . 11 1 1 A 22 22 PHE CB C 22 43.663 42.486 1.177 1
1 189 . 11 1 1 A 22 22 PHE N N 22 116.525 116.888 -0.363 1
1 190 . 11 1 1 A 23 23 ARG H H 23 9.561 8.771 0.790 1
1 191 . 11 1 1 A 23 23 ARG HA H 23 4.491 3.984 0.507 1
1 198 . 11 1 1 A 23 23 ARG C C 23 175.729 176.407 -0.678 1
1 199 . 11 1 1 A 23 23 ARG CA C 23 58.561 58.613 -0.052 1
1 200 . 11 1 1 A 23 23 ARG CB C 23 31.997 29.815 2.182 1
1 203 . 11 1 1 A 23 23 ARG N N 23 120.820 123.838 -3.018 1
1 204 . 11 1 1 A 24 24 VAL H H 24 7.327 7.747 -0.420 1
1 205 . 11 1 1 A 24 24 VAL HA H 24 4.446 4.632 -0.186 1
1 213 . 11 1 1 A 24 24 VAL C C 24 176.671 175.903 0.768 1
1 214 . 11 1 1 A 24 24 VAL CA C 24 59.921 59.816 0.105 1
1 215 . 11 1 1 A 24 24 VAL CB C 24 34.347 34.210 0.137 1
1 218 . 11 1 1 A 24 24 VAL N N 24 112.687 118.076 -5.389 1
1 219 . 11 1 1 A 25 25 SER H H 25 8.506 9.021 -0.515 1
1 220 . 11 1 1 A 25 25 SER HA H 25 2.942 4.270 -1.328 1
1 223 . 11 1 1 A 25 25 SER CA C 25 61.633 61.364 0.269 1
1 224 . 11 1 1 A 25 25 SER CB C 25 61.752 63.133 -1.381 1
1 225 . 11 1 1 A 25 25 SER N N 25 123.315 118.253 5.062 1
1 226 . 11 1 1 A 26 26 SER HA H 26 3.990 4.143 -0.153 1
1 229 . 11 1 1 A 26 26 SER CA C 26 61.102 62.386 -1.284 1
1 230 . 11 1 1 A 26 26 SER CB C 26 61.860 62.870 -1.010 1
1 231 . 11 1 1 A 27 27 HIS H H 27 7.148 8.425 -1.277 1
1 232 . 11 1 1 A 27 27 HIS HA H 27 4.405 4.240 0.165 1
1 237 . 11 1 1 A 27 27 HIS CA C 27 56.698 59.003 -2.305 1
1 238 . 11 1 1 A 27 27 HIS CB C 27 30.201 30.165 0.036 1
1 241 . 11 1 1 A 27 27 HIS N N 27 120.679 119.241 1.438 1
1 242 . 11 1 1 A 28 28 LEU H H 28 6.828 7.999 -1.171 1
1 243 . 11 1 1 A 28 28 LEU HA H 28 3.317 2.364 0.953 1
1 253 . 11 1 1 A 28 28 LEU C C 28 176.993 178.485 -1.492 1
1 254 . 11 1 1 A 28 28 LEU CA C 28 57.560 57.713 -0.153 1
1 255 . 11 1 1 A 28 28 LEU CB C 28 39.868 41.397 -1.529 1
1 259 . 11 1 1 A 28 28 LEU N N 28 121.970 120.257 1.713 1
1 260 . 11 1 1 A 29 29 VAL H H 29 7.609 8.136 -0.527 1
1 261 . 11 1 1 A 29 29 VAL HA H 29 3.462 3.666 -0.204 1
1 269 . 11 1 1 A 29 29 VAL C C 29 179.326 177.906 1.420 1
1 270 . 11 1 1 A 29 29 VAL CA C 29 66.493 66.845 -0.352 1
1 271 . 11 1 1 A 29 29 VAL CB C 29 31.478 31.607 -0.129 1
1 274 . 11 1 1 A 29 29 VAL N N 29 118.483 118.793 -0.310 1
1 275 . 11 1 1 A 30 30 GLN H H 30 7.549 8.167 -0.618 1
1 276 . 11 1 1 A 30 30 GLN HA H 30 4.023 4.011 0.012 1
1 283 . 11 1 1 A 30 30 GLN C C 30 177.980 178.286 -0.306 1
1 284 . 11 1 1 A 30 30 GLN CA C 30 58.484 58.339 0.145 1
1 285 . 11 1 1 A 30 30 GLN CB C 30 28.527 28.552 -0.025 1
1 287 . 11 1 1 A 30 30 GLN N N 30 117.542 118.187 -0.645 1
1 289 . 11 1 1 A 31 31 HIS H H 31 7.580 7.812 -0.232 1
1 290 . 11 1 1 A 31 31 HIS HA H 31 4.246 4.130 0.116 1
1 295 . 11 1 1 A 31 31 HIS C C 31 175.449 176.665 -1.216 1
1 296 . 11 1 1 A 31 31 HIS CA C 31 58.704 58.328 0.376 1
1 297 . 11 1 1 A 31 31 HIS CB C 31 28.598 29.843 -1.245 1
1 300 . 11 1 1 A 31 31 HIS N N 31 119.448 120.872 -1.424 1
1 301 . 11 1 1 A 32 32 HIS H H 32 7.954 8.008 -0.054 1
1 302 . 11 1 1 A 32 32 HIS HA H 32 4.254 4.360 -0.106 1
1 307 . 11 1 1 A 32 32 HIS C C 32 177.828 176.160 1.668 1
1 308 . 11 1 1 A 32 32 HIS CA C 32 59.496 58.046 1.450 1
1 309 . 11 1 1 A 32 32 HIS CB C 32 30.445 29.251 1.194 1
1 312 . 11 1 1 A 32 32 HIS N N 32 116.367 115.753 0.614 1
1 313 . 11 1 1 A 33 33 SER H H 33 7.525 7.649 -0.124 1
1 314 . 11 1 1 A 33 33 SER HA H 33 4.227 4.624 -0.397 1
1 317 . 11 1 1 A 33 33 SER C C 33 176.339 174.639 1.700 1
1 318 . 11 1 1 A 33 33 SER CA C 33 61.325 57.948 3.377 1
1 319 . 11 1 1 A 33 33 SER CB C 33 63.097 63.736 -0.639 1
1 320 . 11 1 1 A 33 33 SER N N 33 113.090 112.400 0.690 1
1 321 . 11 1 1 A 34 34 VAL H H 34 7.958 7.659 0.299 1
1 322 . 11 1 1 A 34 34 VAL HA H 34 3.890 3.818 0.072 1
1 330 . 11 1 1 A 34 34 VAL C C 34 177.101 176.226 0.875 1
1 331 . 11 1 1 A 34 34 VAL CA C 34 64.137 65.347 -1.210 1
1 332 . 11 1 1 A 34 34 VAL CB C 34 31.047 31.210 -0.163 1
1 335 . 11 1 1 A 34 34 VAL N N 34 119.960 118.882 1.078 1
1 336 . 11 1 1 A 35 35 HIS H H 35 7.191 7.428 -0.237 1
1 337 . 11 1 1 A 35 35 HIS HA H 35 4.945 4.657 0.288 1
1 342 . 11 1 1 A 35 35 HIS C C 35 175.350 175.752 -0.402 1
1 343 . 11 1 1 A 35 35 HIS CA C 35 54.443 55.758 -1.315 1
1 344 . 11 1 1 A 35 35 HIS CB C 35 28.590 28.922 -0.332 1
1 347 . 11 1 1 A 35 35 HIS N N 35 116.514 120.042 -3.528 1
1 348 . 11 1 1 A 36 36 SER H H 36 7.762 7.992 -0.230 1
1 349 . 11 1 1 A 36 36 SER HA H 36 4.393 4.176 0.217 1
1 352 . 11 1 1 A 36 36 SER C C 36 175.126 176.641 -1.515 1
1 353 . 11 1 1 A 36 36 SER CA C 36 59.210 61.398 -2.188 1
1 354 . 11 1 1 A 36 36 SER CB C 36 63.861 62.806 1.055 1
1 355 . 11 1 1 A 36 36 SER N N 36 115.134 114.326 0.808 1
1 356 . 11 1 1 A 37 37 GLY H H 37 8.425 7.818 0.607 1
1 357 . 11 1 1 A 37 37 GLY HA2 H 37 3.964 4.072 -0.108 1
1 358 . 11 1 1 A 37 37 GLY HA3 H 37 3.907 4.072 -0.165 1
1 359 . 11 1 1 A 37 37 GLY C C 37 174.055 172.801 1.254 1
1 360 . 11 1 1 A 37 37 GLY CA C 37 45.265 44.368 0.897 1
1 361 . 11 1 1 A 37 37 GLY N N 37 110.975 109.901 1.074 1
1 362 . 11 1 1 A 38 38 GLU H H 38 8.081 8.415 -0.334 1
1 363 . 11 1 1 A 38 38 GLU HA H 38 4.274 5.083 -0.809 1
1 368 . 11 1 1 A 38 38 GLU C C 38 176.219 174.153 2.066 1
1 369 . 11 1 1 A 38 38 GLU CA C 38 56.377 54.712 1.665 1
1 370 . 11 1 1 A 38 38 GLU CB C 38 30.527 33.589 -3.062 1
1 372 . 11 1 1 A 38 38 GLU N N 38 120.346 121.558 -1.212 1
1 373 . 11 1 1 A 39 39 ARG H H 39 8.425 8.901 -0.476 1
1 374 . 11 1 1 A 39 39 ARG HA H 39 4.625 5.006 -0.381 1
1 381 . 11 1 1 A 39 39 ARG C C 39 174.184 174.855 -0.671 1
1 382 . 11 1 1 A 39 39 ARG CA C 39 53.852 53.069 0.783 1
1 383 . 11 1 1 A 39 39 ARG CB C 39 30.221 34.004 -3.783 1
1 386 . 11 1 1 A 39 39 ARG N N 39 123.241 125.300 -2.059 1
1 387 . 11 1 1 A 40 40 PRO HA H 40 4.466 4.497 -0.031 1
1 394 . 11 1 1 A 40 40 PRO CA C 40 63.232 62.727 0.505 1
1 395 . 11 1 1 A 40 40 PRO CB C 40 32.199 31.984 0.215 1
1 398 . 11 1 1 A 41 41 SER H H 41 8.477 8.487 -0.010 1
1 399 . 11 1 1 A 41 41 SER HA H 41 4.465 4.513 -0.048 1
1 402 . 11 1 1 A 41 41 SER CA C 41 63.248 57.423 5.825 1
1 403 . 11 1 1 A 41 41 SER CB C 41 63.863 64.299 -0.436 1
1 404 . 11 1 1 A 41 41 SER N N 41 116.446 114.830 1.616 1
1 405 . 11 1 1 A 42 42 GLY HA2 H 42 4.150 4.237 -0.087 1
1 406 . 11 1 1 A 42 42 GLY HA3 H 42 4.111 4.237 -0.126 1
1 407 . 11 1 1 A 42 42 GLY CA C 42 44.694 44.404 0.290 1
1 408 . 11 1 1 A 43 43 PRO HA H 43 4.466 4.293 0.173 1
1 415 . 11 1 1 A 43 43 PRO CA C 43 63.257 63.020 0.237 1
1 416 . 11 1 1 A 43 43 PRO CB C 43 32.200 32.667 -0.467 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 4.033 4.021 0.012 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 4.033 4.031 0.002 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.569 175.132 -0.563 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.511 45.385 0.126 1
1 5 . 12 1 1 A 8 8 THR H H 8 8.149 7.845 0.304 1
1 6 . 12 1 1 A 8 8 THR HA H 8 4.347 4.099 0.248 1
1 11 . 12 1 1 A 8 8 THR C C 8 175.234 174.788 0.446 1
1 12 . 12 1 1 A 8 8 THR CA C 8 61.859 65.355 -3.496 1
1 13 . 12 1 1 A 8 8 THR CB C 8 69.813 69.490 0.323 1
1 15 . 12 1 1 A 8 8 THR N N 8 112.732 114.406 -1.674 1
1 16 . 12 1 1 A 9 9 GLY H H 9 8.453 7.780 0.673 1
1 17 . 12 1 1 A 9 9 GLY HA2 H 9 3.962 3.954 0.008 1
1 18 . 12 1 1 A 9 9 GLY HA3 H 9 3.910 3.958 -0.048 1
1 19 . 12 1 1 A 9 9 GLY C C 9 174.022 173.529 0.493 1
1 20 . 12 1 1 A 9 9 GLY CA C 9 45.333 45.297 0.036 1
1 21 . 12 1 1 A 9 9 GLY N N 9 110.884 107.924 2.960 1
1 22 . 12 1 1 A 10 10 GLU H H 10 8.181 8.455 -0.274 1
1 23 . 12 1 1 A 10 10 GLU HA H 10 4.169 4.146 0.023 1
1 28 . 12 1 1 A 10 10 GLU C C 10 176.268 176.749 -0.481 1
1 29 . 12 1 1 A 10 10 GLU CA C 10 56.763 57.462 -0.699 1
1 30 . 12 1 1 A 10 10 GLU CB C 10 30.508 29.682 0.826 1
1 32 . 12 1 1 A 10 10 GLU N N 10 120.209 124.634 -4.425 1
1 33 . 12 1 1 A 11 11 LYS H H 11 8.281 8.464 -0.183 1
1 34 . 12 1 1 A 11 11 LYS HA H 11 4.497 4.189 0.308 1
1 43 . 12 1 1 A 11 11 LYS C C 11 174.193 176.582 -2.389 1
1 44 . 12 1 1 A 11 11 LYS CA C 11 53.986 54.667 -0.681 1
1 45 . 12 1 1 A 11 11 LYS CB C 11 33.388 31.794 1.594 1
1 49 . 12 1 1 A 11 11 LYS N N 11 121.517 124.327 -2.810 1
1 50 . 12 1 1 A 12 12 PRO HA H 12 4.228 4.394 -0.166 1
1 57 . 12 1 1 A 12 12 PRO C C 12 176.683 176.099 0.584 1
1 58 . 12 1 1 A 12 12 PRO CA C 12 63.784 64.681 -0.897 1
1 59 . 12 1 1 A 12 12 PRO CB C 12 32.369 31.796 0.573 1
1 62 . 12 1 1 A 13 13 TYR H H 13 7.625 7.376 0.249 1
1 63 . 12 1 1 A 13 13 TYR HA H 13 4.660 5.108 -0.448 1
1 70 . 12 1 1 A 13 13 TYR C C 13 174.316 174.344 -0.028 1
1 71 . 12 1 1 A 13 13 TYR CA C 13 57.467 56.647 0.820 1
1 72 . 12 1 1 A 13 13 TYR CB C 13 38.002 39.840 -1.838 1
1 77 . 12 1 1 A 13 13 TYR N N 13 118.216 118.044 0.172 1
1 78 . 12 1 1 A 14 14 LYS H H 14 8.546 9.152 -0.606 1
1 79 . 12 1 1 A 14 14 LYS HA H 14 4.958 5.496 -0.538 1
1 88 . 12 1 1 A 14 14 LYS C C 14 175.292 174.941 0.351 1
1 89 . 12 1 1 A 14 14 LYS CA C 14 55.108 54.434 0.674 1
1 90 . 12 1 1 A 14 14 LYS CB C 14 35.439 36.222 -0.783 1
1 94 . 12 1 1 A 14 14 LYS N N 14 125.098 125.407 -0.309 1
1 95 . 12 1 1 A 15 15 CYS H H 15 9.372 9.577 -0.205 1
1 96 . 12 1 1 A 15 15 CYS HA H 15 4.607 4.843 -0.236 1
1 99 . 12 1 1 A 15 15 CYS C C 15 177.767 174.840 2.927 1
1 100 . 12 1 1 A 15 15 CYS CA C 15 59.867 59.427 0.440 1
1 101 . 12 1 1 A 15 15 CYS CB C 15 29.766 29.111 0.655 1
1 102 . 12 1 1 A 15 15 CYS N N 15 127.555 124.172 3.383 1
1 103 . 12 1 1 A 16 16 GLN H H 16 9.804 9.048 0.756 1
1 104 . 12 1 1 A 16 16 GLN HA H 16 4.188 4.698 -0.510 1
1 111 . 12 1 1 A 16 16 GLN C C 16 175.874 177.386 -1.512 1
1 112 . 12 1 1 A 16 16 GLN CA C 16 57.670 56.818 0.852 1
1 113 . 12 1 1 A 16 16 GLN CB C 16 28.775 31.284 -2.509 1
1 115 . 12 1 1 A 16 16 GLN N N 16 131.405 122.755 8.650 1
1 117 . 12 1 1 A 17 17 VAL H H 17 9.009 8.025 0.984 1
1 118 . 12 1 1 A 17 17 VAL HA H 17 3.779 3.833 -0.054 1
1 126 . 12 1 1 A 17 17 VAL C C 17 177.068 177.398 -0.330 1
1 127 . 12 1 1 A 17 17 VAL CA C 17 65.146 64.488 0.658 1
1 128 . 12 1 1 A 17 17 VAL CB C 17 32.795 31.465 1.330 1
1 131 . 12 1 1 A 17 17 VAL N N 17 121.843 117.692 4.151 1
1 132 . 12 1 1 A 18 18 CYS H H 18 8.265 7.884 0.381 1
1 133 . 12 1 1 A 18 18 CYS HA H 18 5.152 4.640 0.512 1
1 136 . 12 1 1 A 18 18 CYS C C 18 176.385 175.922 0.463 1
1 137 . 12 1 1 A 18 18 CYS CA C 18 58.209 59.221 -1.012 1
1 138 . 12 1 1 A 18 18 CYS CB C 18 33.029 30.281 2.748 1
1 139 . 12 1 1 A 18 18 CYS N N 18 116.001 117.005 -1.004 1
1 140 . 12 1 1 A 19 19 GLY H H 19 7.873 8.245 -0.372 1
1 141 . 12 1 1 A 19 19 GLY HA2 H 19 4.264 3.956 0.308 1
1 142 . 12 1 1 A 19 19 GLY HA3 H 19 3.769 3.986 -0.217 1
1 143 . 12 1 1 A 19 19 GLY C C 19 173.353 174.858 -1.505 1
1 144 . 12 1 1 A 19 19 GLY CA C 19 46.218 45.590 0.628 1
1 145 . 12 1 1 A 19 19 GLY N N 19 113.243 110.521 2.722 1
1 146 . 12 1 1 A 20 20 LYS H H 20 8.152 7.538 0.614 1
1 147 . 12 1 1 A 20 20 LYS HA H 20 3.894 4.271 -0.377 1
1 156 . 12 1 1 A 20 20 LYS C C 20 173.528 174.999 -1.471 1
1 157 . 12 1 1 A 20 20 LYS CA C 20 58.349 56.445 1.904 1
1 158 . 12 1 1 A 20 20 LYS CB C 20 33.384 34.125 -0.741 1
1 162 . 12 1 1 A 20 20 LYS N N 20 124.409 120.256 4.153 1
1 163 . 12 1 1 A 21 21 ALA H H 21 7.969 7.864 0.105 1
1 164 . 12 1 1 A 21 21 ALA HA H 21 5.197 5.398 -0.201 1
1 168 . 12 1 1 A 21 21 ALA C C 21 175.930 174.932 0.998 1
1 169 . 12 1 1 A 21 21 ALA CA C 21 50.190 50.745 -0.555 1
1 170 . 12 1 1 A 21 21 ALA CB C 21 22.551 23.423 -0.872 1
1 171 . 12 1 1 A 21 21 ALA N N 21 126.194 120.534 5.660 1
1 172 . 12 1 1 A 22 22 PHE H H 22 8.822 8.937 -0.115 1
1 173 . 12 1 1 A 22 22 PHE HA H 22 4.845 5.015 -0.170 1
1 181 . 12 1 1 A 22 22 PHE C C 22 175.249 175.784 -0.535 1
1 182 . 12 1 1 A 22 22 PHE CA C 22 57.103 56.304 0.799 1
1 183 . 12 1 1 A 22 22 PHE CB C 22 43.663 42.473 1.190 1
1 189 . 12 1 1 A 22 22 PHE N N 22 116.525 116.804 -0.279 1
1 190 . 12 1 1 A 23 23 ARG H H 23 9.561 8.799 0.762 1
1 191 . 12 1 1 A 23 23 ARG HA H 23 4.491 3.965 0.526 1
1 198 . 12 1 1 A 23 23 ARG C C 23 175.729 175.857 -0.128 1
1 199 . 12 1 1 A 23 23 ARG CA C 23 58.561 58.310 0.251 1
1 200 . 12 1 1 A 23 23 ARG CB C 23 31.997 29.924 2.073 1
1 203 . 12 1 1 A 23 23 ARG N N 23 120.820 123.787 -2.967 1
1 204 . 12 1 1 A 24 24 VAL H H 24 7.327 7.550 -0.223 1
1 205 . 12 1 1 A 24 24 VAL HA H 24 4.446 4.780 -0.334 1
1 213 . 12 1 1 A 24 24 VAL C C 24 176.671 175.916 0.755 1
1 214 . 12 1 1 A 24 24 VAL CA C 24 59.921 59.338 0.583 1
1 215 . 12 1 1 A 24 24 VAL CB C 24 34.347 34.348 -0.001 1
1 218 . 12 1 1 A 24 24 VAL N N 24 112.687 116.260 -3.573 1
1 219 . 12 1 1 A 25 25 SER H H 25 8.506 9.109 -0.603 1
1 220 . 12 1 1 A 25 25 SER HA H 25 2.942 4.249 -1.307 1
1 223 . 12 1 1 A 25 25 SER CA C 25 61.633 61.242 0.391 1
1 224 . 12 1 1 A 25 25 SER CB C 25 61.752 62.719 -0.967 1
1 225 . 12 1 1 A 25 25 SER N N 25 123.315 119.847 3.468 1
1 226 . 12 1 1 A 26 26 SER HA H 26 3.990 4.187 -0.197 1
1 229 . 12 1 1 A 26 26 SER CA C 26 61.102 61.459 -0.357 1
1 230 . 12 1 1 A 26 26 SER CB C 26 61.860 62.518 -0.658 1
1 231 . 12 1 1 A 27 27 HIS H H 27 7.148 8.287 -1.139 1
1 232 . 12 1 1 A 27 27 HIS HA H 27 4.405 4.219 0.186 1
1 237 . 12 1 1 A 27 27 HIS CA C 27 56.698 58.984 -2.286 1
1 238 . 12 1 1 A 27 27 HIS CB C 27 30.201 30.197 0.004 1
1 241 . 12 1 1 A 27 27 HIS N N 27 120.679 118.703 1.976 1
1 242 . 12 1 1 A 28 28 LEU H H 28 6.828 7.978 -1.150 1
1 243 . 12 1 1 A 28 28 LEU HA H 28 3.317 2.053 1.264 1
1 253 . 12 1 1 A 28 28 LEU C C 28 176.993 178.082 -1.089 1
1 254 . 12 1 1 A 28 28 LEU CA C 28 57.560 57.487 0.073 1
1 255 . 12 1 1 A 28 28 LEU CB C 28 39.868 41.334 -1.466 1
1 259 . 12 1 1 A 28 28 LEU N N 28 121.970 120.037 1.933 1
1 260 . 12 1 1 A 29 29 VAL H H 29 7.609 8.188 -0.579 1
1 261 . 12 1 1 A 29 29 VAL HA H 29 3.462 3.580 -0.118 1
1 269 . 12 1 1 A 29 29 VAL C C 29 179.326 177.905 1.421 1
1 270 . 12 1 1 A 29 29 VAL CA C 29 66.493 66.869 -0.376 1
1 271 . 12 1 1 A 29 29 VAL CB C 29 31.478 31.607 -0.129 1
1 274 . 12 1 1 A 29 29 VAL N N 29 118.483 118.793 -0.310 1
1 275 . 12 1 1 A 30 30 GLN H H 30 7.549 8.128 -0.579 1
1 276 . 12 1 1 A 30 30 GLN HA H 30 4.023 4.006 0.017 1
1 283 . 12 1 1 A 30 30 GLN C C 30 177.980 178.063 -0.083 1
1 284 . 12 1 1 A 30 30 GLN CA C 30 58.484 58.189 0.295 1
1 285 . 12 1 1 A 30 30 GLN CB C 30 28.527 28.663 -0.136 1
1 287 . 12 1 1 A 30 30 GLN N N 30 117.542 118.235 -0.693 1
1 289 . 12 1 1 A 31 31 HIS H H 31 7.580 7.769 -0.189 1
1 290 . 12 1 1 A 31 31 HIS HA H 31 4.246 4.123 0.123 1
1 295 . 12 1 1 A 31 31 HIS C C 31 175.449 176.716 -1.267 1
1 296 . 12 1 1 A 31 31 HIS CA C 31 58.704 57.951 0.753 1
1 297 . 12 1 1 A 31 31 HIS CB C 31 28.598 30.055 -1.457 1
1 300 . 12 1 1 A 31 31 HIS N N 31 119.448 121.007 -1.559 1
1 301 . 12 1 1 A 32 32 HIS H H 32 7.954 7.816 0.138 1
1 302 . 12 1 1 A 32 32 HIS HA H 32 4.254 4.318 -0.064 1
1 307 . 12 1 1 A 32 32 HIS C C 32 177.828 175.367 2.461 1
1 308 . 12 1 1 A 32 32 HIS CA C 32 59.496 57.952 1.544 1
1 309 . 12 1 1 A 32 32 HIS CB C 32 30.445 29.294 1.151 1
1 312 . 12 1 1 A 32 32 HIS N N 32 116.367 115.718 0.649 1
1 313 . 12 1 1 A 33 33 SER H H 33 7.525 7.846 -0.321 1
1 314 . 12 1 1 A 33 33 SER HA H 33 4.227 4.536 -0.309 1
1 317 . 12 1 1 A 33 33 SER C C 33 176.339 175.096 1.243 1
1 318 . 12 1 1 A 33 33 SER CA C 33 61.325 57.395 3.930 1
1 319 . 12 1 1 A 33 33 SER CB C 33 63.097 63.373 -0.276 1
1 320 . 12 1 1 A 33 33 SER N N 33 113.090 114.344 -1.254 1
1 321 . 12 1 1 A 34 34 VAL H H 34 7.958 7.569 0.389 1
1 322 . 12 1 1 A 34 34 VAL HA H 34 3.890 3.716 0.174 1
1 330 . 12 1 1 A 34 34 VAL C C 34 177.101 178.015 -0.914 1
1 331 . 12 1 1 A 34 34 VAL CA C 34 64.137 65.394 -1.257 1
1 332 . 12 1 1 A 34 34 VAL CB C 34 31.047 31.244 -0.197 1
1 335 . 12 1 1 A 34 34 VAL N N 34 119.960 119.037 0.923 1
1 336 . 12 1 1 A 35 35 HIS H H 35 7.191 7.169 0.022 1
1 337 . 12 1 1 A 35 35 HIS HA H 35 4.945 4.356 0.589 1
1 342 . 12 1 1 A 35 35 HIS C C 35 175.350 175.867 -0.517 1
1 343 . 12 1 1 A 35 35 HIS CA C 35 54.443 58.581 -4.138 1
1 344 . 12 1 1 A 35 35 HIS CB C 35 28.590 30.364 -1.774 1
1 347 . 12 1 1 A 35 35 HIS N N 35 116.514 120.465 -3.951 1
1 348 . 12 1 1 A 36 36 SER H H 36 7.762 7.865 -0.103 1
1 349 . 12 1 1 A 36 36 SER HA H 36 4.393 4.165 0.228 1
1 352 . 12 1 1 A 36 36 SER C C 36 175.126 174.633 0.493 1
1 353 . 12 1 1 A 36 36 SER CA C 36 59.210 59.804 -0.594 1
1 354 . 12 1 1 A 36 36 SER CB C 36 63.861 63.530 0.331 1
1 355 . 12 1 1 A 36 36 SER N N 36 115.134 114.198 0.936 1
1 356 . 12 1 1 A 37 37 GLY H H 37 8.425 8.410 0.015 1
1 357 . 12 1 1 A 37 37 GLY HA2 H 37 3.964 4.165 -0.201 1
1 358 . 12 1 1 A 37 37 GLY HA3 H 37 3.907 4.167 -0.260 1
1 359 . 12 1 1 A 37 37 GLY C C 37 174.055 173.777 0.278 1
1 360 . 12 1 1 A 37 37 GLY CA C 37 45.265 45.585 -0.320 1
1 361 . 12 1 1 A 37 37 GLY N N 37 110.975 112.333 -1.358 1
1 362 . 12 1 1 A 38 38 GLU H H 38 8.081 8.821 -0.740 1
1 363 . 12 1 1 A 38 38 GLU HA H 38 4.274 3.821 0.453 1
1 368 . 12 1 1 A 38 38 GLU C C 38 176.219 175.015 1.204 1
1 369 . 12 1 1 A 38 38 GLU CA C 38 56.377 57.235 -0.858 1
1 370 . 12 1 1 A 38 38 GLU CB C 38 30.527 28.088 2.439 1
1 372 . 12 1 1 A 38 38 GLU N N 38 120.346 123.989 -3.643 1
1 373 . 12 1 1 A 39 39 ARG H H 39 8.425 7.697 0.728 1
1 374 . 12 1 1 A 39 39 ARG HA H 39 4.625 4.795 -0.170 1
1 381 . 12 1 1 A 39 39 ARG C C 39 174.184 173.556 0.628 1
1 382 . 12 1 1 A 39 39 ARG CA C 39 53.852 52.863 0.989 1
1 383 . 12 1 1 A 39 39 ARG CB C 39 30.221 32.818 -2.597 1
1 386 . 12 1 1 A 39 39 ARG N N 39 123.241 118.182 5.059 1
1 387 . 12 1 1 A 40 40 PRO HA H 40 4.466 4.585 -0.119 1
1 394 . 12 1 1 A 40 40 PRO CA C 40 63.232 62.667 0.565 1
1 395 . 12 1 1 A 40 40 PRO CB C 40 32.199 32.656 -0.457 1
1 398 . 12 1 1 A 41 41 SER H H 41 8.477 8.491 -0.014 1
1 399 . 12 1 1 A 41 41 SER HA H 41 4.465 4.819 -0.354 1
1 402 . 12 1 1 A 41 41 SER CA C 41 63.248 57.635 5.613 1
1 403 . 12 1 1 A 41 41 SER CB C 41 63.863 64.398 -0.535 1
1 404 . 12 1 1 A 41 41 SER N N 41 116.446 117.262 -0.816 1
1 405 . 12 1 1 A 42 42 GLY HA2 H 42 4.150 4.426 -0.276 1
1 406 . 12 1 1 A 42 42 GLY HA3 H 42 4.111 4.426 -0.315 1
1 407 . 12 1 1 A 42 42 GLY CA C 42 44.694 46.407 -1.713 1
1 408 . 12 1 1 A 43 43 PRO HA H 43 4.466 4.607 -0.141 1
1 415 . 12 1 1 A 43 43 PRO CA C 43 63.257 62.477 0.780 1
1 416 . 12 1 1 A 43 43 PRO CB C 43 32.200 32.945 -0.745 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 4.033 4.087 -0.054 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 4.033 4.089 -0.056 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.569 175.014 -0.445 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.511 44.511 1.000 1
1 5 . 13 1 1 A 8 8 THR H H 8 8.149 8.492 -0.343 1
1 6 . 13 1 1 A 8 8 THR HA H 8 4.347 4.023 0.324 1
1 11 . 13 1 1 A 8 8 THR C C 8 175.234 174.656 0.578 1
1 12 . 13 1 1 A 8 8 THR CA C 8 61.859 64.960 -3.101 1
1 13 . 13 1 1 A 8 8 THR CB C 8 69.813 69.491 0.322 1
1 15 . 13 1 1 A 8 8 THR N N 8 112.732 116.660 -3.928 1
1 16 . 13 1 1 A 9 9 GLY H H 9 8.453 7.246 1.207 1
1 17 . 13 1 1 A 9 9 GLY HA2 H 9 3.962 4.041 -0.079 1
1 18 . 13 1 1 A 9 9 GLY HA3 H 9 3.910 4.045 -0.135 1
1 19 . 13 1 1 A 9 9 GLY C C 9 174.022 171.637 2.385 1
1 20 . 13 1 1 A 9 9 GLY CA C 9 45.333 45.329 0.004 1
1 21 . 13 1 1 A 9 9 GLY N N 9 110.884 107.470 3.414 1
1 22 . 13 1 1 A 10 10 GLU H H 10 8.181 8.428 -0.247 1
1 23 . 13 1 1 A 10 10 GLU HA H 10 4.169 4.347 -0.178 1
1 28 . 13 1 1 A 10 10 GLU C C 10 176.268 176.977 -0.709 1
1 29 . 13 1 1 A 10 10 GLU CA C 10 56.763 55.947 0.816 1
1 30 . 13 1 1 A 10 10 GLU CB C 10 30.508 30.352 0.156 1
1 32 . 13 1 1 A 10 10 GLU N N 10 120.209 119.661 0.548 1
1 33 . 13 1 1 A 11 11 LYS H H 11 8.281 8.421 -0.140 1
1 34 . 13 1 1 A 11 11 LYS HA H 11 4.497 4.127 0.370 1
1 43 . 13 1 1 A 11 11 LYS C C 11 174.193 176.557 -2.364 1
1 44 . 13 1 1 A 11 11 LYS CA C 11 53.986 54.930 -0.944 1
1 45 . 13 1 1 A 11 11 LYS CB C 11 33.388 31.717 1.671 1
1 49 . 13 1 1 A 11 11 LYS N N 11 121.517 123.756 -2.239 1
1 50 . 13 1 1 A 12 12 PRO HA H 12 4.228 4.409 -0.181 1
1 57 . 13 1 1 A 12 12 PRO C C 12 176.683 176.060 0.623 1
1 58 . 13 1 1 A 12 12 PRO CA C 12 63.784 64.480 -0.696 1
1 59 . 13 1 1 A 12 12 PRO CB C 12 32.369 31.715 0.654 1
1 62 . 13 1 1 A 13 13 TYR H H 13 7.625 7.304 0.321 1
1 63 . 13 1 1 A 13 13 TYR HA H 13 4.660 5.251 -0.591 1
1 70 . 13 1 1 A 13 13 TYR C C 13 174.316 174.201 0.115 1
1 71 . 13 1 1 A 13 13 TYR CA C 13 57.467 56.919 0.548 1
1 72 . 13 1 1 A 13 13 TYR CB C 13 38.002 40.186 -2.184 1
1 77 . 13 1 1 A 13 13 TYR N N 13 118.216 118.225 -0.009 1
1 78 . 13 1 1 A 14 14 LYS H H 14 8.546 9.209 -0.663 1
1 79 . 13 1 1 A 14 14 LYS HA H 14 4.958 5.488 -0.530 1
1 88 . 13 1 1 A 14 14 LYS C C 14 175.292 174.879 0.413 1
1 89 . 13 1 1 A 14 14 LYS CA C 14 55.108 54.435 0.673 1
1 90 . 13 1 1 A 14 14 LYS CB C 14 35.439 36.236 -0.797 1
1 94 . 13 1 1 A 14 14 LYS N N 14 125.098 125.182 -0.084 1
1 95 . 13 1 1 A 15 15 CYS H H 15 9.372 9.475 -0.103 1
1 96 . 13 1 1 A 15 15 CYS HA H 15 4.607 4.743 -0.136 1
1 99 . 13 1 1 A 15 15 CYS C C 15 177.767 174.831 2.936 1
1 100 . 13 1 1 A 15 15 CYS CA C 15 59.867 59.445 0.422 1
1 101 . 13 1 1 A 15 15 CYS CB C 15 29.766 28.919 0.847 1
1 102 . 13 1 1 A 15 15 CYS N N 15 127.555 124.225 3.330 1
1 103 . 13 1 1 A 16 16 GLN H H 16 9.804 9.047 0.757 1
1 104 . 13 1 1 A 16 16 GLN HA H 16 4.188 4.697 -0.509 1
1 111 . 13 1 1 A 16 16 GLN C C 16 175.874 177.381 -1.507 1
1 112 . 13 1 1 A 16 16 GLN CA C 16 57.670 56.817 0.853 1
1 113 . 13 1 1 A 16 16 GLN CB C 16 28.775 31.239 -2.464 1
1 115 . 13 1 1 A 16 16 GLN N N 16 131.405 122.752 8.653 1
1 117 . 13 1 1 A 17 17 VAL H H 17 9.009 7.976 1.033 1
1 118 . 13 1 1 A 17 17 VAL HA H 17 3.779 3.823 -0.044 1
1 126 . 13 1 1 A 17 17 VAL C C 17 177.068 177.392 -0.324 1
1 127 . 13 1 1 A 17 17 VAL CA C 17 65.146 64.471 0.675 1
1 128 . 13 1 1 A 17 17 VAL CB C 17 32.795 31.427 1.368 1
1 131 . 13 1 1 A 17 17 VAL N N 17 121.843 117.669 4.174 1
1 132 . 13 1 1 A 18 18 CYS H H 18 8.265 7.924 0.341 1
1 133 . 13 1 1 A 18 18 CYS HA H 18 5.152 4.620 0.532 1
1 136 . 13 1 1 A 18 18 CYS C C 18 176.385 175.887 0.498 1
1 137 . 13 1 1 A 18 18 CYS CA C 18 58.209 59.194 -0.985 1
1 138 . 13 1 1 A 18 18 CYS CB C 18 33.029 30.279 2.750 1
1 139 . 13 1 1 A 18 18 CYS N N 18 116.001 116.999 -0.998 1
1 140 . 13 1 1 A 19 19 GLY H H 19 7.873 8.243 -0.370 1
1 141 . 13 1 1 A 19 19 GLY HA2 H 19 4.264 3.951 0.313 1
1 142 . 13 1 1 A 19 19 GLY HA3 H 19 3.769 3.978 -0.209 1
1 143 . 13 1 1 A 19 19 GLY C C 19 173.353 174.829 -1.476 1
1 144 . 13 1 1 A 19 19 GLY CA C 19 46.218 45.680 0.538 1
1 145 . 13 1 1 A 19 19 GLY N N 19 113.243 110.515 2.728 1
1 146 . 13 1 1 A 20 20 LYS H H 20 8.152 7.519 0.633 1
1 147 . 13 1 1 A 20 20 LYS HA H 20 3.894 4.250 -0.356 1
1 156 . 13 1 1 A 20 20 LYS C C 20 173.528 174.869 -1.341 1
1 157 . 13 1 1 A 20 20 LYS CA C 20 58.349 56.336 2.013 1
1 158 . 13 1 1 A 20 20 LYS CB C 20 33.384 34.047 -0.663 1
1 162 . 13 1 1 A 20 20 LYS N N 20 124.409 120.366 4.043 1
1 163 . 13 1 1 A 21 21 ALA H H 21 7.969 7.785 0.184 1
1 164 . 13 1 1 A 21 21 ALA HA H 21 5.197 5.265 -0.068 1
1 168 . 13 1 1 A 21 21 ALA C C 21 175.930 174.796 1.134 1
1 169 . 13 1 1 A 21 21 ALA CA C 21 50.190 50.863 -0.673 1
1 170 . 13 1 1 A 21 21 ALA CB C 21 22.551 23.493 -0.942 1
1 171 . 13 1 1 A 21 21 ALA N N 21 126.194 120.656 5.538 1
1 172 . 13 1 1 A 22 22 PHE H H 22 8.822 8.895 -0.073 1
1 173 . 13 1 1 A 22 22 PHE HA H 22 4.845 5.021 -0.176 1
1 181 . 13 1 1 A 22 22 PHE C C 22 175.249 175.710 -0.461 1
1 182 . 13 1 1 A 22 22 PHE CA C 22 57.103 56.396 0.707 1
1 183 . 13 1 1 A 22 22 PHE CB C 22 43.663 42.727 0.936 1
1 189 . 13 1 1 A 22 22 PHE N N 22 116.525 116.659 -0.134 1
1 190 . 13 1 1 A 23 23 ARG H H 23 9.561 8.757 0.804 1
1 191 . 13 1 1 A 23 23 ARG HA H 23 4.491 3.971 0.520 1
1 198 . 13 1 1 A 23 23 ARG C C 23 175.729 175.858 -0.129 1
1 199 . 13 1 1 A 23 23 ARG CA C 23 58.561 58.315 0.246 1
1 200 . 13 1 1 A 23 23 ARG CB C 23 31.997 29.929 2.068 1
1 203 . 13 1 1 A 23 23 ARG N N 23 120.820 123.808 -2.988 1
1 204 . 13 1 1 A 24 24 VAL H H 24 7.327 7.561 -0.234 1
1 205 . 13 1 1 A 24 24 VAL HA H 24 4.446 4.776 -0.330 1
1 213 . 13 1 1 A 24 24 VAL C C 24 176.671 175.991 0.680 1
1 214 . 13 1 1 A 24 24 VAL CA C 24 59.921 59.188 0.733 1
1 215 . 13 1 1 A 24 24 VAL CB C 24 34.347 34.375 -0.028 1
1 218 . 13 1 1 A 24 24 VAL N N 24 112.687 115.952 -3.265 1
1 219 . 13 1 1 A 25 25 SER H H 25 8.506 9.158 -0.652 1
1 220 . 13 1 1 A 25 25 SER HA H 25 2.942 4.281 -1.339 1
1 223 . 13 1 1 A 25 25 SER CA C 25 61.633 61.275 0.358 1
1 224 . 13 1 1 A 25 25 SER CB C 25 61.752 62.576 -0.824 1
1 225 . 13 1 1 A 25 25 SER N N 25 123.315 119.368 3.947 1
1 226 . 13 1 1 A 26 26 SER HA H 26 3.990 4.146 -0.156 1
1 229 . 13 1 1 A 26 26 SER CA C 26 61.102 62.026 -0.924 1
1 230 . 13 1 1 A 26 26 SER CB C 26 61.860 63.120 -1.260 1
1 231 . 13 1 1 A 27 27 HIS H H 27 7.148 8.655 -1.507 1
1 232 . 13 1 1 A 27 27 HIS HA H 27 4.405 4.146 0.259 1
1 237 . 13 1 1 A 27 27 HIS CA C 27 56.698 59.255 -2.557 1
1 238 . 13 1 1 A 27 27 HIS CB C 27 30.201 30.034 0.167 1
1 241 . 13 1 1 A 27 27 HIS N N 27 120.679 118.788 1.891 1
1 242 . 13 1 1 A 28 28 LEU H H 28 6.828 7.928 -1.100 1
1 243 . 13 1 1 A 28 28 LEU HA H 28 3.317 2.342 0.975 1
1 253 . 13 1 1 A 28 28 LEU C C 28 176.993 178.192 -1.199 1
1 254 . 13 1 1 A 28 28 LEU CA C 28 57.560 57.670 -0.110 1
1 255 . 13 1 1 A 28 28 LEU CB C 28 39.868 41.235 -1.367 1
1 259 . 13 1 1 A 28 28 LEU N N 28 121.970 120.342 1.628 1
1 260 . 13 1 1 A 29 29 VAL H H 29 7.609 8.522 -0.913 1
1 261 . 13 1 1 A 29 29 VAL HA H 29 3.462 3.603 -0.141 1
1 269 . 13 1 1 A 29 29 VAL C C 29 179.326 177.712 1.614 1
1 270 . 13 1 1 A 29 29 VAL CA C 29 66.493 66.897 -0.404 1
1 271 . 13 1 1 A 29 29 VAL CB C 29 31.478 31.605 -0.127 1
1 274 . 13 1 1 A 29 29 VAL N N 29 118.483 118.761 -0.278 1
1 275 . 13 1 1 A 30 30 GLN H H 30 7.549 8.116 -0.567 1
1 276 . 13 1 1 A 30 30 GLN HA H 30 4.023 4.033 -0.010 1
1 283 . 13 1 1 A 30 30 GLN C C 30 177.980 177.928 0.052 1
1 284 . 13 1 1 A 30 30 GLN CA C 30 58.484 58.204 0.280 1
1 285 . 13 1 1 A 30 30 GLN CB C 30 28.527 28.935 -0.408 1
1 287 . 13 1 1 A 30 30 GLN N N 30 117.542 117.947 -0.405 1
1 289 . 13 1 1 A 31 31 HIS H H 31 7.580 7.777 -0.197 1
1 290 . 13 1 1 A 31 31 HIS HA H 31 4.246 4.140 0.106 1
1 295 . 13 1 1 A 31 31 HIS C C 31 175.449 176.705 -1.256 1
1 296 . 13 1 1 A 31 31 HIS CA C 31 58.704 57.822 0.882 1
1 297 . 13 1 1 A 31 31 HIS CB C 31 28.598 30.137 -1.539 1
1 300 . 13 1 1 A 31 31 HIS N N 31 119.448 121.108 -1.660 1
1 301 . 13 1 1 A 32 32 HIS H H 32 7.954 7.747 0.207 1
1 302 . 13 1 1 A 32 32 HIS HA H 32 4.254 4.368 -0.114 1
1 307 . 13 1 1 A 32 32 HIS C C 32 177.828 175.387 2.441 1
1 308 . 13 1 1 A 32 32 HIS CA C 32 59.496 58.015 1.481 1
1 309 . 13 1 1 A 32 32 HIS CB C 32 30.445 29.293 1.152 1
1 312 . 13 1 1 A 32 32 HIS N N 32 116.367 116.058 0.309 1
1 313 . 13 1 1 A 33 33 SER H H 33 7.525 7.946 -0.421 1
1 314 . 13 1 1 A 33 33 SER HA H 33 4.227 4.548 -0.321 1
1 317 . 13 1 1 A 33 33 SER C C 33 176.339 174.735 1.604 1
1 318 . 13 1 1 A 33 33 SER CA C 33 61.325 57.313 4.012 1
1 319 . 13 1 1 A 33 33 SER CB C 33 63.097 63.422 -0.325 1
1 320 . 13 1 1 A 33 33 SER N N 33 113.090 114.624 -1.534 1
1 321 . 13 1 1 A 34 34 VAL H H 34 7.958 7.533 0.425 1
1 322 . 13 1 1 A 34 34 VAL HA H 34 3.890 3.871 0.019 1
1 330 . 13 1 1 A 34 34 VAL C C 34 177.101 177.077 0.024 1
1 331 . 13 1 1 A 34 34 VAL CA C 34 64.137 64.656 -0.519 1
1 332 . 13 1 1 A 34 34 VAL CB C 34 31.047 31.428 -0.381 1
1 335 . 13 1 1 A 34 34 VAL N N 34 119.960 119.112 0.848 1
1 336 . 13 1 1 A 35 35 HIS H H 35 7.191 7.253 -0.062 1
1 337 . 13 1 1 A 35 35 HIS HA H 35 4.945 4.444 0.501 1
1 342 . 13 1 1 A 35 35 HIS C C 35 175.350 175.900 -0.550 1
1 343 . 13 1 1 A 35 35 HIS CA C 35 54.443 58.297 -3.854 1
1 344 . 13 1 1 A 35 35 HIS CB C 35 28.590 30.968 -2.378 1
1 347 . 13 1 1 A 35 35 HIS N N 35 116.514 119.617 -3.103 1
1 348 . 13 1 1 A 36 36 SER H H 36 7.762 7.938 -0.176 1
1 349 . 13 1 1 A 36 36 SER HA H 36 4.393 4.130 0.263 1
1 352 . 13 1 1 A 36 36 SER C C 36 175.126 175.303 -0.177 1
1 353 . 13 1 1 A 36 36 SER CA C 36 59.210 60.677 -1.467 1
1 354 . 13 1 1 A 36 36 SER CB C 36 63.861 62.908 0.953 1
1 355 . 13 1 1 A 36 36 SER N N 36 115.134 114.920 0.214 1
1 356 . 13 1 1 A 37 37 GLY H H 37 8.425 8.505 -0.080 1
1 357 . 13 1 1 A 37 37 GLY HA2 H 37 3.964 4.107 -0.143 1
1 358 . 13 1 1 A 37 37 GLY HA3 H 37 3.907 4.109 -0.202 1
1 359 . 13 1 1 A 37 37 GLY C C 37 174.055 173.353 0.702 1
1 360 . 13 1 1 A 37 37 GLY CA C 37 45.265 46.042 -0.777 1
1 361 . 13 1 1 A 37 37 GLY N N 37 110.975 113.097 -2.122 1
1 362 . 13 1 1 A 38 38 GLU H H 38 8.081 8.107 -0.026 1
1 363 . 13 1 1 A 38 38 GLU HA H 38 4.274 4.747 -0.473 1
1 368 . 13 1 1 A 38 38 GLU C C 38 176.219 175.974 0.245 1
1 369 . 13 1 1 A 38 38 GLU CA C 38 56.377 54.378 1.999 1
1 370 . 13 1 1 A 38 38 GLU CB C 38 30.527 32.770 -2.243 1
1 372 . 13 1 1 A 38 38 GLU N N 38 120.346 121.983 -1.637 1
1 373 . 13 1 1 A 39 39 ARG H H 39 8.425 8.355 0.070 1
1 374 . 13 1 1 A 39 39 ARG HA H 39 4.625 4.224 0.401 1
1 381 . 13 1 1 A 39 39 ARG C C 39 174.184 174.987 -0.803 1
1 382 . 13 1 1 A 39 39 ARG CA C 39 53.852 54.876 -1.024 1
1 383 . 13 1 1 A 39 39 ARG CB C 39 30.221 30.819 -0.598 1
1 386 . 13 1 1 A 39 39 ARG N N 39 123.241 126.861 -3.620 1
1 387 . 13 1 1 A 40 40 PRO HA H 40 4.466 4.616 -0.150 1
1 394 . 13 1 1 A 40 40 PRO CA C 40 63.232 62.864 0.368 1
1 395 . 13 1 1 A 40 40 PRO CB C 40 32.199 32.478 -0.279 1
1 398 . 13 1 1 A 41 41 SER H H 41 8.477 8.799 -0.322 1
1 399 . 13 1 1 A 41 41 SER HA H 41 4.465 4.538 -0.073 1
1 402 . 13 1 1 A 41 41 SER CA C 41 63.248 57.634 5.614 1
1 403 . 13 1 1 A 41 41 SER CB C 41 63.863 61.409 2.454 1
1 404 . 13 1 1 A 41 41 SER N N 41 116.446 119.531 -3.085 1
1 405 . 13 1 1 A 42 42 GLY HA2 H 42 4.150 3.860 0.290 1
1 406 . 13 1 1 A 42 42 GLY HA3 H 42 4.111 3.862 0.249 1
1 407 . 13 1 1 A 42 42 GLY CA C 42 44.694 48.167 -3.473 1
1 408 . 13 1 1 A 43 43 PRO HA H 43 4.466 4.623 -0.157 1
1 415 . 13 1 1 A 43 43 PRO CA C 43 63.257 62.335 0.922 1
1 416 . 13 1 1 A 43 43 PRO CB C 43 32.200 30.042 2.158 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 4.033 3.916 0.117 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 4.033 3.917 0.116 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.569 175.116 -0.547 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.511 46.971 -1.460 1
1 5 . 14 1 1 A 8 8 THR H H 8 8.149 8.133 0.016 1
1 6 . 14 1 1 A 8 8 THR HA H 8 4.347 4.286 0.061 1
1 11 . 14 1 1 A 8 8 THR C C 8 175.234 174.669 0.565 1
1 12 . 14 1 1 A 8 8 THR CA C 8 61.859 62.883 -1.024 1
1 13 . 14 1 1 A 8 8 THR CB C 8 69.813 69.747 0.066 1
1 15 . 14 1 1 A 8 8 THR N N 8 112.732 114.598 -1.866 1
1 16 . 14 1 1 A 9 9 GLY H H 9 8.453 7.840 0.613 1
1 17 . 14 1 1 A 9 9 GLY HA2 H 9 3.962 4.002 -0.040 1
1 18 . 14 1 1 A 9 9 GLY HA3 H 9 3.910 4.007 -0.097 1
1 19 . 14 1 1 A 9 9 GLY C C 9 174.022 172.918 1.104 1
1 20 . 14 1 1 A 9 9 GLY CA C 9 45.333 44.918 0.415 1
1 21 . 14 1 1 A 9 9 GLY N N 9 110.884 109.654 1.230 1
1 22 . 14 1 1 A 10 10 GLU H H 10 8.181 8.412 -0.231 1
1 23 . 14 1 1 A 10 10 GLU HA H 10 4.169 4.526 -0.357 1
1 28 . 14 1 1 A 10 10 GLU C C 10 176.268 176.579 -0.311 1
1 29 . 14 1 1 A 10 10 GLU CA C 10 56.763 55.436 1.327 1
1 30 . 14 1 1 A 10 10 GLU CB C 10 30.508 31.050 -0.542 1
1 32 . 14 1 1 A 10 10 GLU N N 10 120.209 119.699 0.510 1
1 33 . 14 1 1 A 11 11 LYS H H 11 8.281 8.601 -0.320 1
1 34 . 14 1 1 A 11 11 LYS HA H 11 4.497 4.208 0.289 1
1 43 . 14 1 1 A 11 11 LYS C C 11 174.193 176.642 -2.449 1
1 44 . 14 1 1 A 11 11 LYS CA C 11 53.986 54.771 -0.785 1
1 45 . 14 1 1 A 11 11 LYS CB C 11 33.388 31.820 1.568 1
1 49 . 14 1 1 A 11 11 LYS N N 11 121.517 123.881 -2.364 1
1 50 . 14 1 1 A 12 12 PRO HA H 12 4.228 4.373 -0.145 1
1 57 . 14 1 1 A 12 12 PRO C C 12 176.683 175.989 0.694 1
1 58 . 14 1 1 A 12 12 PRO CA C 12 63.784 64.742 -0.958 1
1 59 . 14 1 1 A 12 12 PRO CB C 12 32.369 31.886 0.483 1
1 62 . 14 1 1 A 13 13 TYR H H 13 7.625 7.413 0.212 1
1 63 . 14 1 1 A 13 13 TYR HA H 13 4.660 5.009 -0.349 1
1 70 . 14 1 1 A 13 13 TYR C C 13 174.316 175.106 -0.790 1
1 71 . 14 1 1 A 13 13 TYR CA C 13 57.467 57.596 -0.129 1
1 72 . 14 1 1 A 13 13 TYR CB C 13 38.002 40.765 -2.763 1
1 77 . 14 1 1 A 13 13 TYR N N 13 118.216 118.670 -0.454 1
1 78 . 14 1 1 A 14 14 LYS H H 14 8.546 8.638 -0.092 1
1 79 . 14 1 1 A 14 14 LYS HA H 14 4.958 4.988 -0.030 1
1 88 . 14 1 1 A 14 14 LYS C C 14 175.292 174.313 0.979 1
1 89 . 14 1 1 A 14 14 LYS CA C 14 55.108 56.002 -0.894 1
1 90 . 14 1 1 A 14 14 LYS CB C 14 35.439 35.770 -0.331 1
1 94 . 14 1 1 A 14 14 LYS N N 14 125.098 121.635 3.463 1
1 95 . 14 1 1 A 15 15 CYS H H 15 9.372 9.212 0.160 1
1 96 . 14 1 1 A 15 15 CYS HA H 15 4.607 4.780 -0.173 1
1 99 . 14 1 1 A 15 15 CYS C C 15 177.767 174.619 3.148 1
1 100 . 14 1 1 A 15 15 CYS CA C 15 59.867 59.608 0.259 1
1 101 . 14 1 1 A 15 15 CYS CB C 15 29.766 28.933 0.833 1
1 102 . 14 1 1 A 15 15 CYS N N 15 127.555 124.113 3.442 1
1 103 . 14 1 1 A 16 16 GLN H H 16 9.804 9.001 0.803 1
1 104 . 14 1 1 A 16 16 GLN HA H 16 4.188 4.648 -0.460 1
1 111 . 14 1 1 A 16 16 GLN C C 16 175.874 177.948 -2.074 1
1 112 . 14 1 1 A 16 16 GLN CA C 16 57.670 56.865 0.805 1
1 113 . 14 1 1 A 16 16 GLN CB C 16 28.775 30.813 -2.038 1
1 115 . 14 1 1 A 16 16 GLN N N 16 131.405 123.015 8.390 1
1 117 . 14 1 1 A 17 17 VAL H H 17 9.009 8.049 0.960 1
1 118 . 14 1 1 A 17 17 VAL HA H 17 3.779 3.814 -0.035 1
1 126 . 14 1 1 A 17 17 VAL C C 17 177.068 177.093 -0.025 1
1 127 . 14 1 1 A 17 17 VAL CA C 17 65.146 64.528 0.618 1
1 128 . 14 1 1 A 17 17 VAL CB C 17 32.795 31.321 1.474 1
1 131 . 14 1 1 A 17 17 VAL N N 17 121.843 116.888 4.955 1
1 132 . 14 1 1 A 18 18 CYS H H 18 8.265 7.864 0.401 1
1 133 . 14 1 1 A 18 18 CYS HA H 18 5.152 4.665 0.487 1
1 136 . 14 1 1 A 18 18 CYS C C 18 176.385 176.022 0.363 1
1 137 . 14 1 1 A 18 18 CYS CA C 18 58.209 59.106 -0.897 1
1 138 . 14 1 1 A 18 18 CYS CB C 18 33.029 30.565 2.464 1
1 139 . 14 1 1 A 18 18 CYS N N 18 116.001 117.088 -1.087 1
1 140 . 14 1 1 A 19 19 GLY H H 19 7.873 8.237 -0.364 1
1 141 . 14 1 1 A 19 19 GLY HA2 H 19 4.264 3.940 0.324 1
1 142 . 14 1 1 A 19 19 GLY HA3 H 19 3.769 3.968 -0.199 1
1 143 . 14 1 1 A 19 19 GLY C C 19 173.353 174.738 -1.385 1
1 144 . 14 1 1 A 19 19 GLY CA C 19 46.218 45.682 0.536 1
1 145 . 14 1 1 A 19 19 GLY N N 19 113.243 110.543 2.700 1
1 146 . 14 1 1 A 20 20 LYS H H 20 8.152 7.602 0.550 1
1 147 . 14 1 1 A 20 20 LYS HA H 20 3.894 4.225 -0.331 1
1 156 . 14 1 1 A 20 20 LYS C C 20 173.528 175.030 -1.502 1
1 157 . 14 1 1 A 20 20 LYS CA C 20 58.349 56.548 1.801 1
1 158 . 14 1 1 A 20 20 LYS CB C 20 33.384 34.064 -0.680 1
1 162 . 14 1 1 A 20 20 LYS N N 20 124.409 120.267 4.142 1
1 163 . 14 1 1 A 21 21 ALA H H 21 7.969 7.865 0.104 1
1 164 . 14 1 1 A 21 21 ALA HA H 21 5.197 5.124 0.073 1
1 168 . 14 1 1 A 21 21 ALA C C 21 175.930 174.952 0.978 1
1 169 . 14 1 1 A 21 21 ALA CA C 21 50.190 51.303 -1.113 1
1 170 . 14 1 1 A 21 21 ALA CB C 21 22.551 22.963 -0.412 1
1 171 . 14 1 1 A 21 21 ALA N N 21 126.194 120.818 5.376 1
1 172 . 14 1 1 A 22 22 PHE H H 22 8.822 9.085 -0.263 1
1 173 . 14 1 1 A 22 22 PHE HA H 22 4.845 5.078 -0.233 1
1 181 . 14 1 1 A 22 22 PHE C C 22 175.249 175.763 -0.514 1
1 182 . 14 1 1 A 22 22 PHE CA C 22 57.103 56.444 0.659 1
1 183 . 14 1 1 A 22 22 PHE CB C 22 43.663 41.057 2.606 1
1 189 . 14 1 1 A 22 22 PHE N N 22 116.525 117.429 -0.904 1
1 190 . 14 1 1 A 23 23 ARG H H 23 9.561 8.594 0.967 1
1 191 . 14 1 1 A 23 23 ARG HA H 23 4.491 3.957 0.534 1
1 198 . 14 1 1 A 23 23 ARG C C 23 175.729 176.053 -0.324 1
1 199 . 14 1 1 A 23 23 ARG CA C 23 58.561 58.443 0.118 1
1 200 . 14 1 1 A 23 23 ARG CB C 23 31.997 29.827 2.170 1
1 203 . 14 1 1 A 23 23 ARG N N 23 120.820 123.540 -2.720 1
1 204 . 14 1 1 A 24 24 VAL H H 24 7.327 7.622 -0.295 1
1 205 . 14 1 1 A 24 24 VAL HA H 24 4.446 4.788 -0.342 1
1 213 . 14 1 1 A 24 24 VAL C C 24 176.671 175.906 0.765 1
1 214 . 14 1 1 A 24 24 VAL CA C 24 59.921 59.325 0.596 1
1 215 . 14 1 1 A 24 24 VAL CB C 24 34.347 34.409 -0.062 1
1 218 . 14 1 1 A 24 24 VAL N N 24 112.687 116.207 -3.520 1
1 219 . 14 1 1 A 25 25 SER H H 25 8.506 8.989 -0.483 1
1 220 . 14 1 1 A 25 25 SER HA H 25 2.942 4.292 -1.350 1
1 223 . 14 1 1 A 25 25 SER CA C 25 61.633 61.364 0.269 1
1 224 . 14 1 1 A 25 25 SER CB C 25 61.752 63.127 -1.375 1
1 225 . 14 1 1 A 25 25 SER N N 25 123.315 119.076 4.239 1
1 226 . 14 1 1 A 26 26 SER HA H 26 3.990 4.195 -0.205 1
1 229 . 14 1 1 A 26 26 SER CA C 26 61.102 61.537 -0.435 1
1 230 . 14 1 1 A 26 26 SER CB C 26 61.860 62.451 -0.591 1
1 231 . 14 1 1 A 27 27 HIS H H 27 7.148 8.553 -1.405 1
1 232 . 14 1 1 A 27 27 HIS HA H 27 4.405 4.259 0.146 1
1 237 . 14 1 1 A 27 27 HIS CA C 27 56.698 59.180 -2.482 1
1 238 . 14 1 1 A 27 27 HIS CB C 27 30.201 30.156 0.045 1
1 241 . 14 1 1 A 27 27 HIS N N 27 120.679 118.599 2.080 1
1 242 . 14 1 1 A 28 28 LEU H H 28 6.828 8.047 -1.219 1
1 243 . 14 1 1 A 28 28 LEU HA H 28 3.317 2.040 1.277 1
1 253 . 14 1 1 A 28 28 LEU C C 28 176.993 178.120 -1.127 1
1 254 . 14 1 1 A 28 28 LEU CA C 28 57.560 57.541 0.019 1
1 255 . 14 1 1 A 28 28 LEU CB C 28 39.868 41.444 -1.576 1
1 259 . 14 1 1 A 28 28 LEU N N 28 121.970 120.098 1.872 1
1 260 . 14 1 1 A 29 29 VAL H H 29 7.609 8.236 -0.627 1
1 261 . 14 1 1 A 29 29 VAL HA H 29 3.462 3.581 -0.119 1
1 269 . 14 1 1 A 29 29 VAL C C 29 179.326 177.771 1.555 1
1 270 . 14 1 1 A 29 29 VAL CA C 29 66.493 66.811 -0.318 1
1 271 . 14 1 1 A 29 29 VAL CB C 29 31.478 31.573 -0.095 1
1 274 . 14 1 1 A 29 29 VAL N N 29 118.483 118.961 -0.478 1
1 275 . 14 1 1 A 30 30 GLN H H 30 7.549 8.120 -0.571 1
1 276 . 14 1 1 A 30 30 GLN HA H 30 4.023 3.995 0.028 1
1 283 . 14 1 1 A 30 30 GLN C C 30 177.980 178.201 -0.221 1
1 284 . 14 1 1 A 30 30 GLN CA C 30 58.484 58.328 0.156 1
1 285 . 14 1 1 A 30 30 GLN CB C 30 28.527 28.599 -0.072 1
1 287 . 14 1 1 A 30 30 GLN N N 30 117.542 118.090 -0.548 1
1 289 . 14 1 1 A 31 31 HIS H H 31 7.580 7.803 -0.223 1
1 290 . 14 1 1 A 31 31 HIS HA H 31 4.246 4.141 0.105 1
1 295 . 14 1 1 A 31 31 HIS C C 31 175.449 176.757 -1.308 1
1 296 . 14 1 1 A 31 31 HIS CA C 31 58.704 58.327 0.377 1
1 297 . 14 1 1 A 31 31 HIS CB C 31 28.598 29.971 -1.373 1
1 300 . 14 1 1 A 31 31 HIS N N 31 119.448 120.802 -1.354 1
1 301 . 14 1 1 A 32 32 HIS H H 32 7.954 7.957 -0.003 1
1 302 . 14 1 1 A 32 32 HIS HA H 32 4.254 4.222 0.032 1
1 307 . 14 1 1 A 32 32 HIS C C 32 177.828 175.388 2.440 1
1 308 . 14 1 1 A 32 32 HIS CA C 32 59.496 58.149 1.347 1
1 309 . 14 1 1 A 32 32 HIS CB C 32 30.445 29.277 1.168 1
1 312 . 14 1 1 A 32 32 HIS N N 32 116.367 115.810 0.557 1
1 313 . 14 1 1 A 33 33 SER H H 33 7.525 7.837 -0.312 1
1 314 . 14 1 1 A 33 33 SER HA H 33 4.227 4.533 -0.306 1
1 317 . 14 1 1 A 33 33 SER C C 33 176.339 175.092 1.247 1
1 318 . 14 1 1 A 33 33 SER CA C 33 61.325 57.407 3.918 1
1 319 . 14 1 1 A 33 33 SER CB C 33 63.097 63.237 -0.140 1
1 320 . 14 1 1 A 33 33 SER N N 33 113.090 114.336 -1.246 1
1 321 . 14 1 1 A 34 34 VAL H H 34 7.958 7.689 0.269 1
1 322 . 14 1 1 A 34 34 VAL HA H 34 3.890 3.733 0.157 1
1 330 . 14 1 1 A 34 34 VAL C C 34 177.101 178.013 -0.912 1
1 331 . 14 1 1 A 34 34 VAL CA C 34 64.137 65.492 -1.355 1
1 332 . 14 1 1 A 34 34 VAL CB C 34 31.047 31.263 -0.216 1
1 335 . 14 1 1 A 34 34 VAL N N 34 119.960 119.399 0.561 1
1 336 . 14 1 1 A 35 35 HIS H H 35 7.191 7.279 -0.088 1
1 337 . 14 1 1 A 35 35 HIS HA H 35 4.945 4.386 0.559 1
1 342 . 14 1 1 A 35 35 HIS C C 35 175.350 176.121 -0.771 1
1 343 . 14 1 1 A 35 35 HIS CA C 35 54.443 58.819 -4.376 1
1 344 . 14 1 1 A 35 35 HIS CB C 35 28.590 30.303 -1.713 1
1 347 . 14 1 1 A 35 35 HIS N N 35 116.514 120.563 -4.049 1
1 348 . 14 1 1 A 36 36 SER H H 36 7.762 8.166 -0.404 1
1 349 . 14 1 1 A 36 36 SER HA H 36 4.393 4.342 0.051 1
1 352 . 14 1 1 A 36 36 SER C C 36 175.126 174.394 0.732 1
1 353 . 14 1 1 A 36 36 SER CA C 36 59.210 58.048 1.162 1
1 354 . 14 1 1 A 36 36 SER CB C 36 63.861 62.386 1.475 1
1 355 . 14 1 1 A 36 36 SER N N 36 115.134 111.725 3.409 1
1 356 . 14 1 1 A 37 37 GLY H H 37 8.425 8.256 0.169 1
1 357 . 14 1 1 A 37 37 GLY HA2 H 37 3.964 4.148 -0.184 1
1 358 . 14 1 1 A 37 37 GLY HA3 H 37 3.907 4.154 -0.247 1
1 359 . 14 1 1 A 37 37 GLY C C 37 174.055 171.939 2.116 1
1 360 . 14 1 1 A 37 37 GLY CA C 37 45.265 46.022 -0.757 1
1 361 . 14 1 1 A 37 37 GLY N N 37 110.975 111.582 -0.607 1
1 362 . 14 1 1 A 38 38 GLU H H 38 8.081 8.340 -0.259 1
1 363 . 14 1 1 A 38 38 GLU HA H 38 4.274 4.319 -0.045 1
1 368 . 14 1 1 A 38 38 GLU C C 38 176.219 176.601 -0.382 1
1 369 . 14 1 1 A 38 38 GLU CA C 38 56.377 56.764 -0.387 1
1 370 . 14 1 1 A 38 38 GLU CB C 38 30.527 29.988 0.539 1
1 372 . 14 1 1 A 38 38 GLU N N 38 120.346 124.025 -3.679 1
1 373 . 14 1 1 A 39 39 ARG H H 39 8.425 8.233 0.192 1
1 374 . 14 1 1 A 39 39 ARG HA H 39 4.625 4.303 0.322 1
1 381 . 14 1 1 A 39 39 ARG C C 39 174.184 174.852 -0.668 1
1 382 . 14 1 1 A 39 39 ARG CA C 39 53.852 54.378 -0.526 1
1 383 . 14 1 1 A 39 39 ARG CB C 39 30.221 30.737 -0.516 1
1 386 . 14 1 1 A 39 39 ARG N N 39 123.241 128.310 -5.069 1
1 387 . 14 1 1 A 40 40 PRO HA H 40 4.466 4.545 -0.079 1
1 394 . 14 1 1 A 40 40 PRO CA C 40 63.232 62.455 0.777 1
1 395 . 14 1 1 A 40 40 PRO CB C 40 32.199 32.289 -0.090 1
1 398 . 14 1 1 A 41 41 SER H H 41 8.477 8.494 -0.017 1
1 399 . 14 1 1 A 41 41 SER HA H 41 4.465 4.339 0.126 1
1 402 . 14 1 1 A 41 41 SER CA C 41 63.248 59.029 4.219 1
1 403 . 14 1 1 A 41 41 SER CB C 41 63.863 64.298 -0.435 1
1 404 . 14 1 1 A 41 41 SER N N 41 116.446 117.697 -1.251 1
1 405 . 14 1 1 A 42 42 GLY HA2 H 42 4.150 4.242 -0.092 1
1 406 . 14 1 1 A 42 42 GLY HA3 H 42 4.111 4.242 -0.131 1
1 407 . 14 1 1 A 42 42 GLY CA C 42 44.694 45.608 -0.914 1
1 408 . 14 1 1 A 43 43 PRO HA H 43 4.466 4.591 -0.125 1
1 415 . 14 1 1 A 43 43 PRO CA C 43 63.257 62.388 0.869 1
1 416 . 14 1 1 A 43 43 PRO CB C 43 32.200 32.796 -0.596 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 4.033 4.281 -0.248 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 4.033 4.286 -0.253 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.569 175.148 -0.579 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.511 43.322 2.189 1
1 5 . 15 1 1 A 8 8 THR H H 8 8.149 8.533 -0.384 1
1 6 . 15 1 1 A 8 8 THR HA H 8 4.347 4.122 0.225 1
1 11 . 15 1 1 A 8 8 THR C C 8 175.234 174.870 0.364 1
1 12 . 15 1 1 A 8 8 THR CA C 8 61.859 64.231 -2.372 1
1 13 . 15 1 1 A 8 8 THR CB C 8 69.813 68.829 0.984 1
1 15 . 15 1 1 A 8 8 THR N N 8 112.732 114.843 -2.111 1
1 16 . 15 1 1 A 9 9 GLY H H 9 8.453 7.761 0.692 1
1 17 . 15 1 1 A 9 9 GLY HA2 H 9 3.962 3.980 -0.018 1
1 18 . 15 1 1 A 9 9 GLY HA3 H 9 3.910 3.983 -0.073 1
1 19 . 15 1 1 A 9 9 GLY C C 9 174.022 174.421 -0.399 1
1 20 . 15 1 1 A 9 9 GLY CA C 9 45.333 45.438 -0.105 1
1 21 . 15 1 1 A 9 9 GLY N N 9 110.884 107.722 3.162 1
1 22 . 15 1 1 A 10 10 GLU H H 10 8.181 7.337 0.844 1
1 23 . 15 1 1 A 10 10 GLU HA H 10 4.169 4.262 -0.093 1
1 28 . 15 1 1 A 10 10 GLU C C 10 176.268 176.244 0.024 1
1 29 . 15 1 1 A 10 10 GLU CA C 10 56.763 56.753 0.010 1
1 30 . 15 1 1 A 10 10 GLU CB C 10 30.508 29.905 0.603 1
1 32 . 15 1 1 A 10 10 GLU N N 10 120.209 118.540 1.669 1
1 33 . 15 1 1 A 11 11 LYS H H 11 8.281 8.427 -0.146 1
1 34 . 15 1 1 A 11 11 LYS HA H 11 4.497 4.184 0.313 1
1 43 . 15 1 1 A 11 11 LYS C C 11 174.193 176.846 -2.653 1
1 44 . 15 1 1 A 11 11 LYS CA C 11 53.986 54.803 -0.817 1
1 45 . 15 1 1 A 11 11 LYS CB C 11 33.388 32.027 1.361 1
1 49 . 15 1 1 A 11 11 LYS N N 11 121.517 122.954 -1.437 1
1 50 . 15 1 1 A 12 12 PRO HA H 12 4.228 4.391 -0.163 1
1 57 . 15 1 1 A 12 12 PRO C C 12 176.683 176.063 0.620 1
1 58 . 15 1 1 A 12 12 PRO CA C 12 63.784 64.893 -1.109 1
1 59 . 15 1 1 A 12 12 PRO CB C 12 32.369 31.974 0.395 1
1 62 . 15 1 1 A 13 13 TYR H H 13 7.625 7.411 0.214 1
1 63 . 15 1 1 A 13 13 TYR HA H 13 4.660 4.988 -0.328 1
1 70 . 15 1 1 A 13 13 TYR C C 13 174.316 175.290 -0.974 1
1 71 . 15 1 1 A 13 13 TYR CA C 13 57.467 57.890 -0.423 1
1 72 . 15 1 1 A 13 13 TYR CB C 13 38.002 40.440 -2.438 1
1 77 . 15 1 1 A 13 13 TYR N N 13 118.216 118.841 -0.625 1
1 78 . 15 1 1 A 14 14 LYS H H 14 8.546 8.716 -0.170 1
1 79 . 15 1 1 A 14 14 LYS HA H 14 4.958 5.023 -0.065 1
1 88 . 15 1 1 A 14 14 LYS C C 14 175.292 174.285 1.007 1
1 89 . 15 1 1 A 14 14 LYS CA C 14 55.108 55.864 -0.756 1
1 90 . 15 1 1 A 14 14 LYS CB C 14 35.439 35.925 -0.486 1
1 94 . 15 1 1 A 14 14 LYS N N 14 125.098 122.169 2.929 1
1 95 . 15 1 1 A 15 15 CYS H H 15 9.372 9.253 0.119 1
1 96 . 15 1 1 A 15 15 CYS HA H 15 4.607 4.870 -0.263 1
1 99 . 15 1 1 A 15 15 CYS C C 15 177.767 174.692 3.075 1
1 100 . 15 1 1 A 15 15 CYS CA C 15 59.867 59.496 0.371 1
1 101 . 15 1 1 A 15 15 CYS CB C 15 29.766 29.028 0.738 1
1 102 . 15 1 1 A 15 15 CYS N N 15 127.555 123.836 3.719 1
1 103 . 15 1 1 A 16 16 GLN H H 16 9.804 8.954 0.850 1
1 104 . 15 1 1 A 16 16 GLN HA H 16 4.188 4.670 -0.482 1
1 111 . 15 1 1 A 16 16 GLN C C 16 175.874 178.085 -2.211 1
1 112 . 15 1 1 A 16 16 GLN CA C 16 57.670 56.768 0.902 1
1 113 . 15 1 1 A 16 16 GLN CB C 16 28.775 30.798 -2.023 1
1 115 . 15 1 1 A 16 16 GLN N N 16 131.405 123.048 8.357 1
1 117 . 15 1 1 A 17 17 VAL H H 17 9.009 8.055 0.954 1
1 118 . 15 1 1 A 17 17 VAL HA H 17 3.779 3.813 -0.034 1
1 126 . 15 1 1 A 17 17 VAL C C 17 177.068 177.164 -0.096 1
1 127 . 15 1 1 A 17 17 VAL CA C 17 65.146 64.530 0.616 1
1 128 . 15 1 1 A 17 17 VAL CB C 17 32.795 31.547 1.248 1
1 131 . 15 1 1 A 17 17 VAL N N 17 121.843 116.581 5.262 1
1 132 . 15 1 1 A 18 18 CYS H H 18 8.265 7.897 0.368 1
1 133 . 15 1 1 A 18 18 CYS HA H 18 5.152 4.663 0.489 1
1 136 . 15 1 1 A 18 18 CYS C C 18 176.385 176.062 0.323 1
1 137 . 15 1 1 A 18 18 CYS CA C 18 58.209 59.143 -0.934 1
1 138 . 15 1 1 A 18 18 CYS CB C 18 33.029 30.433 2.596 1
1 139 . 15 1 1 A 18 18 CYS N N 18 116.001 117.059 -1.058 1
1 140 . 15 1 1 A 19 19 GLY H H 19 7.873 8.197 -0.324 1
1 141 . 15 1 1 A 19 19 GLY HA2 H 19 4.264 3.942 0.322 1
1 142 . 15 1 1 A 19 19 GLY HA3 H 19 3.769 3.969 -0.200 1
1 143 . 15 1 1 A 19 19 GLY C C 19 173.353 174.795 -1.442 1
1 144 . 15 1 1 A 19 19 GLY CA C 19 46.218 45.732 0.486 1
1 145 . 15 1 1 A 19 19 GLY N N 19 113.243 110.545 2.698 1
1 146 . 15 1 1 A 20 20 LYS H H 20 8.152 7.534 0.618 1
1 147 . 15 1 1 A 20 20 LYS HA H 20 3.894 4.189 -0.295 1
1 156 . 15 1 1 A 20 20 LYS C C 20 173.528 174.997 -1.469 1
1 157 . 15 1 1 A 20 20 LYS CA C 20 58.349 56.515 1.834 1
1 158 . 15 1 1 A 20 20 LYS CB C 20 33.384 33.993 -0.609 1
1 162 . 15 1 1 A 20 20 LYS N N 20 124.409 120.276 4.133 1
1 163 . 15 1 1 A 21 21 ALA H H 21 7.969 7.818 0.151 1
1 164 . 15 1 1 A 21 21 ALA HA H 21 5.197 5.169 0.028 1
1 168 . 15 1 1 A 21 21 ALA C C 21 175.930 174.835 1.095 1
1 169 . 15 1 1 A 21 21 ALA CA C 21 50.190 51.112 -0.922 1
1 170 . 15 1 1 A 21 21 ALA CB C 21 22.551 22.657 -0.106 1
1 171 . 15 1 1 A 21 21 ALA N N 21 126.194 120.683 5.511 1
1 172 . 15 1 1 A 22 22 PHE H H 22 8.822 8.702 0.120 1
1 173 . 15 1 1 A 22 22 PHE HA H 22 4.845 5.027 -0.182 1
1 181 . 15 1 1 A 22 22 PHE C C 22 175.249 175.848 -0.599 1
1 182 . 15 1 1 A 22 22 PHE CA C 22 57.103 56.385 0.718 1
1 183 . 15 1 1 A 22 22 PHE CB C 22 43.663 41.177 2.486 1
1 189 . 15 1 1 A 22 22 PHE N N 22 116.525 117.895 -1.370 1
1 190 . 15 1 1 A 23 23 ARG H H 23 9.561 8.736 0.825 1
1 191 . 15 1 1 A 23 23 ARG HA H 23 4.491 3.965 0.526 1
1 198 . 15 1 1 A 23 23 ARG C C 23 175.729 175.821 -0.092 1
1 199 . 15 1 1 A 23 23 ARG CA C 23 58.561 58.350 0.211 1
1 200 . 15 1 1 A 23 23 ARG CB C 23 31.997 29.899 2.098 1
1 203 . 15 1 1 A 23 23 ARG N N 23 120.820 123.902 -3.082 1
1 204 . 15 1 1 A 24 24 VAL H H 24 7.327 7.581 -0.254 1
1 205 . 15 1 1 A 24 24 VAL HA H 24 4.446 4.665 -0.219 1
1 213 . 15 1 1 A 24 24 VAL C C 24 176.671 175.868 0.803 1
1 214 . 15 1 1 A 24 24 VAL CA C 24 59.921 59.427 0.494 1
1 215 . 15 1 1 A 24 24 VAL CB C 24 34.347 34.417 -0.070 1
1 218 . 15 1 1 A 24 24 VAL N N 24 112.687 116.342 -3.655 1
1 219 . 15 1 1 A 25 25 SER H H 25 8.506 9.357 -0.851 1
1 220 . 15 1 1 A 25 25 SER HA H 25 2.942 4.218 -1.276 1
1 223 . 15 1 1 A 25 25 SER CA C 25 61.633 61.416 0.217 1
1 224 . 15 1 1 A 25 25 SER CB C 25 61.752 62.478 -0.726 1
1 225 . 15 1 1 A 25 25 SER N N 25 123.315 120.389 2.926 1
1 226 . 15 1 1 A 26 26 SER HA H 26 3.990 4.180 -0.190 1
1 229 . 15 1 1 A 26 26 SER CA C 26 61.102 62.446 -1.344 1
1 230 . 15 1 1 A 26 26 SER CB C 26 61.860 62.888 -1.028 1
1 231 . 15 1 1 A 27 27 HIS H H 27 7.148 8.549 -1.401 1
1 232 . 15 1 1 A 27 27 HIS HA H 27 4.405 4.242 0.163 1
1 237 . 15 1 1 A 27 27 HIS CA C 27 56.698 59.226 -2.528 1
1 238 . 15 1 1 A 27 27 HIS CB C 27 30.201 30.130 0.071 1
1 241 . 15 1 1 A 27 27 HIS N N 27 120.679 119.160 1.519 1
1 242 . 15 1 1 A 28 28 LEU H H 28 6.828 7.520 -0.692 1
1 243 . 15 1 1 A 28 28 LEU HA H 28 3.317 2.112 1.205 1
1 253 . 15 1 1 A 28 28 LEU C C 28 176.993 178.149 -1.156 1
1 254 . 15 1 1 A 28 28 LEU CA C 28 57.560 57.558 0.002 1
1 255 . 15 1 1 A 28 28 LEU CB C 28 39.868 41.406 -1.538 1
1 259 . 15 1 1 A 28 28 LEU N N 28 121.970 120.274 1.696 1
1 260 . 15 1 1 A 29 29 VAL H H 29 7.609 8.208 -0.599 1
1 261 . 15 1 1 A 29 29 VAL HA H 29 3.462 3.609 -0.147 1
1 269 . 15 1 1 A 29 29 VAL C C 29 179.326 177.798 1.528 1
1 270 . 15 1 1 A 29 29 VAL CA C 29 66.493 66.802 -0.309 1
1 271 . 15 1 1 A 29 29 VAL CB C 29 31.478 31.526 -0.048 1
1 274 . 15 1 1 A 29 29 VAL N N 29 118.483 118.746 -0.263 1
1 275 . 15 1 1 A 30 30 GLN H H 30 7.549 7.997 -0.448 1
1 276 . 15 1 1 A 30 30 GLN HA H 30 4.023 4.005 0.018 1
1 283 . 15 1 1 A 30 30 GLN C C 30 177.980 178.339 -0.359 1
1 284 . 15 1 1 A 30 30 GLN CA C 30 58.484 58.331 0.153 1
1 285 . 15 1 1 A 30 30 GLN CB C 30 28.527 28.486 0.041 1
1 287 . 15 1 1 A 30 30 GLN N N 30 117.542 118.095 -0.553 1
1 289 . 15 1 1 A 31 31 HIS H H 31 7.580 7.810 -0.230 1
1 290 . 15 1 1 A 31 31 HIS HA H 31 4.246 4.136 0.110 1
1 295 . 15 1 1 A 31 31 HIS C C 31 175.449 176.721 -1.272 1
1 296 . 15 1 1 A 31 31 HIS CA C 31 58.704 58.412 0.292 1
1 297 . 15 1 1 A 31 31 HIS CB C 31 28.598 29.745 -1.147 1
1 300 . 15 1 1 A 31 31 HIS N N 31 119.448 120.797 -1.349 1
1 301 . 15 1 1 A 32 32 HIS H H 32 7.954 7.772 0.182 1
1 302 . 15 1 1 A 32 32 HIS HA H 32 4.254 4.279 -0.025 1
1 307 . 15 1 1 A 32 32 HIS C C 32 177.828 176.067 1.761 1
1 308 . 15 1 1 A 32 32 HIS CA C 32 59.496 58.413 1.083 1
1 309 . 15 1 1 A 32 32 HIS CB C 32 30.445 29.296 1.149 1
1 312 . 15 1 1 A 32 32 HIS N N 32 116.367 115.849 0.518 1
1 313 . 15 1 1 A 33 33 SER H H 33 7.525 7.724 -0.199 1
1 314 . 15 1 1 A 33 33 SER HA H 33 4.227 4.643 -0.416 1
1 317 . 15 1 1 A 33 33 SER C C 33 176.339 174.610 1.729 1
1 318 . 15 1 1 A 33 33 SER CA C 33 61.325 57.937 3.388 1
1 319 . 15 1 1 A 33 33 SER CB C 33 63.097 63.675 -0.578 1
1 320 . 15 1 1 A 33 33 SER N N 33 113.090 112.036 1.054 1
1 321 . 15 1 1 A 34 34 VAL H H 34 7.958 7.606 0.352 1
1 322 . 15 1 1 A 34 34 VAL HA H 34 3.890 3.869 0.021 1
1 330 . 15 1 1 A 34 34 VAL C C 34 177.101 176.918 0.183 1
1 331 . 15 1 1 A 34 34 VAL CA C 34 64.137 64.205 -0.068 1
1 332 . 15 1 1 A 34 34 VAL CB C 34 31.047 31.644 -0.597 1
1 335 . 15 1 1 A 34 34 VAL N N 34 119.960 119.037 0.923 1
1 336 . 15 1 1 A 35 35 HIS H H 35 7.191 7.425 -0.234 1
1 337 . 15 1 1 A 35 35 HIS HA H 35 4.945 4.518 0.427 1
1 342 . 15 1 1 A 35 35 HIS C C 35 175.350 174.946 0.404 1
1 343 . 15 1 1 A 35 35 HIS CA C 35 54.443 58.017 -3.574 1
1 344 . 15 1 1 A 35 35 HIS CB C 35 28.590 30.904 -2.314 1
1 347 . 15 1 1 A 35 35 HIS N N 35 116.514 119.914 -3.400 1
1 348 . 15 1 1 A 36 36 SER H H 36 7.762 8.209 -0.447 1
1 349 . 15 1 1 A 36 36 SER HA H 36 4.393 4.108 0.285 1
1 352 . 15 1 1 A 36 36 SER C C 36 175.126 174.450 0.676 1
1 353 . 15 1 1 A 36 36 SER CA C 36 59.210 59.311 -0.101 1
1 354 . 15 1 1 A 36 36 SER CB C 36 63.861 61.719 2.142 1
1 355 . 15 1 1 A 36 36 SER N N 36 115.134 112.302 2.832 1
1 356 . 15 1 1 A 37 37 GLY H H 37 8.425 8.423 0.002 1
1 357 . 15 1 1 A 37 37 GLY HA2 H 37 3.964 4.009 -0.045 1
1 358 . 15 1 1 A 37 37 GLY HA3 H 37 3.907 4.009 -0.102 1
1 359 . 15 1 1 A 37 37 GLY C C 37 174.055 174.619 -0.564 1
1 360 . 15 1 1 A 37 37 GLY CA C 37 45.265 44.829 0.436 1
1 361 . 15 1 1 A 37 37 GLY N N 37 110.975 106.400 4.575 1
1 362 . 15 1 1 A 38 38 GLU H H 38 8.081 8.687 -0.606 1
1 363 . 15 1 1 A 38 38 GLU HA H 38 4.274 4.083 0.191 1
1 368 . 15 1 1 A 38 38 GLU C C 38 176.219 176.164 0.055 1
1 369 . 15 1 1 A 38 38 GLU CA C 38 56.377 57.290 -0.913 1
1 370 . 15 1 1 A 38 38 GLU CB C 38 30.527 27.519 3.008 1
1 372 . 15 1 1 A 38 38 GLU N N 38 120.346 122.821 -2.475 1
1 373 . 15 1 1 A 39 39 ARG H H 39 8.425 7.826 0.599 1
1 374 . 15 1 1 A 39 39 ARG HA H 39 4.625 4.699 -0.074 1
1 381 . 15 1 1 A 39 39 ARG C C 39 174.184 174.784 -0.600 1
1 382 . 15 1 1 A 39 39 ARG CA C 39 53.852 54.422 -0.570 1
1 383 . 15 1 1 A 39 39 ARG CB C 39 30.221 30.733 -0.512 1
1 386 . 15 1 1 A 39 39 ARG N N 39 123.241 118.058 5.183 1
1 387 . 15 1 1 A 40 40 PRO HA H 40 4.466 4.767 -0.301 1
1 394 . 15 1 1 A 40 40 PRO CA C 40 63.232 62.867 0.365 1
1 395 . 15 1 1 A 40 40 PRO CB C 40 32.199 33.077 -0.878 1
1 398 . 15 1 1 A 41 41 SER H H 41 8.477 8.761 -0.284 1
1 399 . 15 1 1 A 41 41 SER HA H 41 4.465 4.679 -0.214 1
1 402 . 15 1 1 A 41 41 SER CA C 41 63.248 57.959 5.289 1
1 403 . 15 1 1 A 41 41 SER CB C 41 63.863 63.563 0.300 1
1 404 . 15 1 1 A 41 41 SER N N 41 116.446 117.932 -1.486 1
1 405 . 15 1 1 A 42 42 GLY HA2 H 42 4.150 3.904 0.246 1
1 406 . 15 1 1 A 42 42 GLY HA3 H 42 4.111 3.904 0.207 1
1 407 . 15 1 1 A 42 42 GLY CA C 42 44.694 46.973 -2.279 1
1 408 . 15 1 1 A 43 43 PRO HA H 43 4.466 4.427 0.039 1
1 415 . 15 1 1 A 43 43 PRO CA C 43 63.257 63.864 -0.607 1
1 416 . 15 1 1 A 43 43 PRO CB C 43 32.200 31.930 0.270 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 4.033 3.982 0.051 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 4.033 3.991 0.042 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.569 174.432 0.137 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.511 45.818 -0.307 1
1 5 . 16 1 1 A 8 8 THR H H 8 8.149 8.346 -0.197 1
1 6 . 16 1 1 A 8 8 THR HA H 8 4.347 3.919 0.428 1
1 11 . 16 1 1 A 8 8 THR C C 8 175.234 173.468 1.766 1
1 12 . 16 1 1 A 8 8 THR CA C 8 61.859 63.039 -1.180 1
1 13 . 16 1 1 A 8 8 THR CB C 8 69.813 67.754 2.059 1
1 15 . 16 1 1 A 8 8 THR N N 8 112.732 117.887 -5.155 1
1 16 . 16 1 1 A 9 9 GLY H H 9 8.453 8.207 0.246 1
1 17 . 16 1 1 A 9 9 GLY HA2 H 9 3.962 4.068 -0.106 1
1 18 . 16 1 1 A 9 9 GLY HA3 H 9 3.910 4.073 -0.163 1
1 19 . 16 1 1 A 9 9 GLY C C 9 174.022 172.599 1.423 1
1 20 . 16 1 1 A 9 9 GLY CA C 9 45.333 44.582 0.751 1
1 21 . 16 1 1 A 9 9 GLY N N 9 110.884 107.435 3.449 1
1 22 . 16 1 1 A 10 10 GLU H H 10 8.181 8.348 -0.167 1
1 23 . 16 1 1 A 10 10 GLU HA H 10 4.169 4.581 -0.412 1
1 28 . 16 1 1 A 10 10 GLU C C 10 176.268 176.679 -0.411 1
1 29 . 16 1 1 A 10 10 GLU CA C 10 56.763 55.871 0.892 1
1 30 . 16 1 1 A 10 10 GLU CB C 10 30.508 30.715 -0.207 1
1 32 . 16 1 1 A 10 10 GLU N N 10 120.209 120.574 -0.365 1
1 33 . 16 1 1 A 11 11 LYS H H 11 8.281 8.707 -0.426 1
1 34 . 16 1 1 A 11 11 LYS HA H 11 4.497 4.352 0.145 1
1 43 . 16 1 1 A 11 11 LYS C C 11 174.193 176.622 -2.429 1
1 44 . 16 1 1 A 11 11 LYS CA C 11 53.986 54.212 -0.226 1
1 45 . 16 1 1 A 11 11 LYS CB C 11 33.388 31.917 1.471 1
1 49 . 16 1 1 A 11 11 LYS N N 11 121.517 124.482 -2.965 1
1 50 . 16 1 1 A 12 12 PRO HA H 12 4.228 4.410 -0.182 1
1 57 . 16 1 1 A 12 12 PRO C C 12 176.683 176.084 0.599 1
1 58 . 16 1 1 A 12 12 PRO CA C 12 63.784 65.086 -1.302 1
1 59 . 16 1 1 A 12 12 PRO CB C 12 32.369 31.819 0.550 1
1 62 . 16 1 1 A 13 13 TYR H H 13 7.625 7.391 0.234 1
1 63 . 16 1 1 A 13 13 TYR HA H 13 4.660 5.036 -0.376 1
1 70 . 16 1 1 A 13 13 TYR C C 13 174.316 175.279 -0.963 1
1 71 . 16 1 1 A 13 13 TYR CA C 13 57.467 57.807 -0.340 1
1 72 . 16 1 1 A 13 13 TYR CB C 13 38.002 40.382 -2.380 1
1 77 . 16 1 1 A 13 13 TYR N N 13 118.216 118.463 -0.247 1
1 78 . 16 1 1 A 14 14 LYS H H 14 8.546 8.700 -0.154 1
1 79 . 16 1 1 A 14 14 LYS HA H 14 4.958 5.156 -0.198 1
1 88 . 16 1 1 A 14 14 LYS C C 14 175.292 174.642 0.650 1
1 89 . 16 1 1 A 14 14 LYS CA C 14 55.108 55.536 -0.428 1
1 90 . 16 1 1 A 14 14 LYS CB C 14 35.439 35.994 -0.555 1
1 94 . 16 1 1 A 14 14 LYS N N 14 125.098 122.736 2.362 1
1 95 . 16 1 1 A 15 15 CYS H H 15 9.372 9.171 0.201 1
1 96 . 16 1 1 A 15 15 CYS HA H 15 4.607 4.686 -0.079 1
1 99 . 16 1 1 A 15 15 CYS C C 15 177.767 174.807 2.960 1
1 100 . 16 1 1 A 15 15 CYS CA C 15 59.867 59.544 0.323 1
1 101 . 16 1 1 A 15 15 CYS CB C 15 29.766 29.003 0.763 1
1 102 . 16 1 1 A 15 15 CYS N N 15 127.555 124.465 3.090 1
1 103 . 16 1 1 A 16 16 GLN H H 16 9.804 9.037 0.767 1
1 104 . 16 1 1 A 16 16 GLN HA H 16 4.188 4.712 -0.524 1
1 111 . 16 1 1 A 16 16 GLN C C 16 175.874 178.140 -2.266 1
1 112 . 16 1 1 A 16 16 GLN CA C 16 57.670 56.748 0.922 1
1 113 . 16 1 1 A 16 16 GLN CB C 16 28.775 30.482 -1.707 1
1 115 . 16 1 1 A 16 16 GLN N N 16 131.405 123.400 8.005 1
1 117 . 16 1 1 A 17 17 VAL H H 17 9.009 8.040 0.969 1
1 118 . 16 1 1 A 17 17 VAL HA H 17 3.779 3.809 -0.030 1
1 126 . 16 1 1 A 17 17 VAL C C 17 177.068 177.285 -0.217 1
1 127 . 16 1 1 A 17 17 VAL CA C 17 65.146 64.674 0.472 1
1 128 . 16 1 1 A 17 17 VAL CB C 17 32.795 31.513 1.282 1
1 131 . 16 1 1 A 17 17 VAL N N 17 121.843 116.944 4.899 1
1 132 . 16 1 1 A 18 18 CYS H H 18 8.265 7.885 0.380 1
1 133 . 16 1 1 A 18 18 CYS HA H 18 5.152 4.644 0.508 1
1 136 . 16 1 1 A 18 18 CYS C C 18 176.385 175.881 0.504 1
1 137 . 16 1 1 A 18 18 CYS CA C 18 58.209 59.245 -1.036 1
1 138 . 16 1 1 A 18 18 CYS CB C 18 33.029 30.260 2.769 1
1 139 . 16 1 1 A 18 18 CYS N N 18 116.001 117.027 -1.026 1
1 140 . 16 1 1 A 19 19 GLY H H 19 7.873 8.268 -0.395 1
1 141 . 16 1 1 A 19 19 GLY HA2 H 19 4.264 3.951 0.313 1
1 142 . 16 1 1 A 19 19 GLY HA3 H 19 3.769 3.977 -0.208 1
1 143 . 16 1 1 A 19 19 GLY C C 19 173.353 174.758 -1.405 1
1 144 . 16 1 1 A 19 19 GLY CA C 19 46.218 45.549 0.669 1
1 145 . 16 1 1 A 19 19 GLY N N 19 113.243 110.275 2.968 1
1 146 . 16 1 1 A 20 20 LYS H H 20 8.152 7.491 0.661 1
1 147 . 16 1 1 A 20 20 LYS HA H 20 3.894 4.238 -0.344 1
1 156 . 16 1 1 A 20 20 LYS C C 20 173.528 174.979 -1.451 1
1 157 . 16 1 1 A 20 20 LYS CA C 20 58.349 56.512 1.837 1
1 158 . 16 1 1 A 20 20 LYS CB C 20 33.384 34.091 -0.707 1
1 162 . 16 1 1 A 20 20 LYS N N 20 124.409 120.291 4.118 1
1 163 . 16 1 1 A 21 21 ALA H H 21 7.969 7.855 0.114 1
1 164 . 16 1 1 A 21 21 ALA HA H 21 5.197 5.347 -0.150 1
1 168 . 16 1 1 A 21 21 ALA C C 21 175.930 174.947 0.983 1
1 169 . 16 1 1 A 21 21 ALA CA C 21 50.190 51.116 -0.926 1
1 170 . 16 1 1 A 21 21 ALA CB C 21 22.551 22.833 -0.282 1
1 171 . 16 1 1 A 21 21 ALA N N 21 126.194 120.754 5.440 1
1 172 . 16 1 1 A 22 22 PHE H H 22 8.822 8.820 0.002 1
1 173 . 16 1 1 A 22 22 PHE HA H 22 4.845 5.029 -0.184 1
1 181 . 16 1 1 A 22 22 PHE C C 22 175.249 175.743 -0.494 1
1 182 . 16 1 1 A 22 22 PHE CA C 22 57.103 56.418 0.685 1
1 183 . 16 1 1 A 22 22 PHE CB C 22 43.663 41.058 2.605 1
1 189 . 16 1 1 A 22 22 PHE N N 22 116.525 117.504 -0.979 1
1 190 . 16 1 1 A 23 23 ARG H H 23 9.561 8.654 0.907 1
1 191 . 16 1 1 A 23 23 ARG HA H 23 4.491 3.870 0.621 1
1 198 . 16 1 1 A 23 23 ARG C C 23 175.729 175.814 -0.085 1
1 199 . 16 1 1 A 23 23 ARG CA C 23 58.561 58.305 0.256 1
1 200 . 16 1 1 A 23 23 ARG CB C 23 31.997 29.891 2.106 1
1 203 . 16 1 1 A 23 23 ARG N N 23 120.820 123.445 -2.625 1
1 204 . 16 1 1 A 24 24 VAL H H 24 7.327 7.551 -0.224 1
1 205 . 16 1 1 A 24 24 VAL HA H 24 4.446 4.730 -0.284 1
1 213 . 16 1 1 A 24 24 VAL C C 24 176.671 175.922 0.749 1
1 214 . 16 1 1 A 24 24 VAL CA C 24 59.921 59.475 0.446 1
1 215 . 16 1 1 A 24 24 VAL CB C 24 34.347 34.229 0.118 1
1 218 . 16 1 1 A 24 24 VAL N N 24 112.687 116.374 -3.687 1
1 219 . 16 1 1 A 25 25 SER H H 25 8.506 9.228 -0.722 1
1 220 . 16 1 1 A 25 25 SER HA H 25 2.942 4.180 -1.238 1
1 223 . 16 1 1 A 25 25 SER CA C 25 61.633 61.288 0.345 1
1 224 . 16 1 1 A 25 25 SER CB C 25 61.752 62.594 -0.842 1
1 225 . 16 1 1 A 25 25 SER N N 25 123.315 120.014 3.301 1
1 226 . 16 1 1 A 26 26 SER HA H 26 3.990 4.138 -0.148 1
1 229 . 16 1 1 A 26 26 SER CA C 26 61.102 62.289 -1.187 1
1 230 . 16 1 1 A 26 26 SER CB C 26 61.860 62.802 -0.942 1
1 231 . 16 1 1 A 27 27 HIS H H 27 7.148 8.410 -1.262 1
1 232 . 16 1 1 A 27 27 HIS HA H 27 4.405 4.253 0.152 1
1 237 . 16 1 1 A 27 27 HIS CA C 27 56.698 58.980 -2.282 1
1 238 . 16 1 1 A 27 27 HIS CB C 27 30.201 30.224 -0.023 1
1 241 . 16 1 1 A 27 27 HIS N N 27 120.679 119.192 1.487 1
1 242 . 16 1 1 A 28 28 LEU H H 28 6.828 7.573 -0.745 1
1 243 . 16 1 1 A 28 28 LEU HA H 28 3.317 2.114 1.203 1
1 253 . 16 1 1 A 28 28 LEU C C 28 176.993 178.147 -1.154 1
1 254 . 16 1 1 A 28 28 LEU CA C 28 57.560 57.540 0.020 1
1 255 . 16 1 1 A 28 28 LEU CB C 28 39.868 41.459 -1.591 1
1 259 . 16 1 1 A 28 28 LEU N N 28 121.970 120.123 1.847 1
1 260 . 16 1 1 A 29 29 VAL H H 29 7.609 8.067 -0.458 1
1 261 . 16 1 1 A 29 29 VAL HA H 29 3.462 3.605 -0.143 1
1 269 . 16 1 1 A 29 29 VAL C C 29 179.326 177.776 1.550 1
1 270 . 16 1 1 A 29 29 VAL CA C 29 66.493 66.841 -0.348 1
1 271 . 16 1 1 A 29 29 VAL CB C 29 31.478 31.595 -0.117 1
1 274 . 16 1 1 A 29 29 VAL N N 29 118.483 118.850 -0.367 1
1 275 . 16 1 1 A 30 30 GLN H H 30 7.549 8.090 -0.541 1
1 276 . 16 1 1 A 30 30 GLN HA H 30 4.023 4.026 -0.003 1
1 283 . 16 1 1 A 30 30 GLN C C 30 177.980 178.004 -0.024 1
1 284 . 16 1 1 A 30 30 GLN CA C 30 58.484 58.414 0.070 1
1 285 . 16 1 1 A 30 30 GLN CB C 30 28.527 28.569 -0.042 1
1 287 . 16 1 1 A 30 30 GLN N N 30 117.542 118.135 -0.593 1
1 289 . 16 1 1 A 31 31 HIS H H 31 7.580 7.794 -0.214 1
1 290 . 16 1 1 A 31 31 HIS HA H 31 4.246 4.142 0.104 1
1 295 . 16 1 1 A 31 31 HIS C C 31 175.449 176.722 -1.273 1
1 296 . 16 1 1 A 31 31 HIS CA C 31 58.704 58.039 0.665 1
1 297 . 16 1 1 A 31 31 HIS CB C 31 28.598 30.147 -1.549 1
1 300 . 16 1 1 A 31 31 HIS N N 31 119.448 120.877 -1.429 1
1 301 . 16 1 1 A 32 32 HIS H H 32 7.954 7.981 -0.027 1
1 302 . 16 1 1 A 32 32 HIS HA H 32 4.254 4.338 -0.084 1
1 307 . 16 1 1 A 32 32 HIS C C 32 177.828 176.137 1.691 1
1 308 . 16 1 1 A 32 32 HIS CA C 32 59.496 58.170 1.326 1
1 309 . 16 1 1 A 32 32 HIS CB C 32 30.445 29.341 1.104 1
1 312 . 16 1 1 A 32 32 HIS N N 32 116.367 115.894 0.473 1
1 313 . 16 1 1 A 33 33 SER H H 33 7.525 7.658 -0.133 1
1 314 . 16 1 1 A 33 33 SER HA H 33 4.227 4.610 -0.383 1
1 317 . 16 1 1 A 33 33 SER C C 33 176.339 174.660 1.679 1
1 318 . 16 1 1 A 33 33 SER CA C 33 61.325 57.931 3.394 1
1 319 . 16 1 1 A 33 33 SER CB C 33 63.097 63.799 -0.702 1
1 320 . 16 1 1 A 33 33 SER N N 33 113.090 112.318 0.772 1
1 321 . 16 1 1 A 34 34 VAL H H 34 7.958 7.707 0.251 1
1 322 . 16 1 1 A 34 34 VAL HA H 34 3.890 3.886 0.004 1
1 330 . 16 1 1 A 34 34 VAL C C 34 177.101 176.119 0.982 1
1 331 . 16 1 1 A 34 34 VAL CA C 34 64.137 64.573 -0.436 1
1 332 . 16 1 1 A 34 34 VAL CB C 34 31.047 31.210 -0.163 1
1 335 . 16 1 1 A 34 34 VAL N N 34 119.960 118.756 1.204 1
1 336 . 16 1 1 A 35 35 HIS H H 35 7.191 7.397 -0.206 1
1 337 . 16 1 1 A 35 35 HIS HA H 35 4.945 4.740 0.205 1
1 342 . 16 1 1 A 35 35 HIS C C 35 175.350 174.329 1.021 1
1 343 . 16 1 1 A 35 35 HIS CA C 35 54.443 55.146 -0.703 1
1 344 . 16 1 1 A 35 35 HIS CB C 35 28.590 28.952 -0.362 1
1 347 . 16 1 1 A 35 35 HIS N N 35 116.514 119.824 -3.310 1
1 348 . 16 1 1 A 36 36 SER H H 36 7.762 7.808 -0.046 1
1 349 . 16 1 1 A 36 36 SER HA H 36 4.393 4.861 -0.468 1
1 352 . 16 1 1 A 36 36 SER C C 36 175.126 173.048 2.078 1
1 353 . 16 1 1 A 36 36 SER CA C 36 59.210 57.435 1.775 1
1 354 . 16 1 1 A 36 36 SER CB C 36 63.861 65.478 -1.617 1
1 355 . 16 1 1 A 36 36 SER N N 36 115.134 114.631 0.503 1
1 356 . 16 1 1 A 37 37 GLY H H 37 8.425 8.430 -0.005 1
1 357 . 16 1 1 A 37 37 GLY HA2 H 37 3.964 4.118 -0.154 1
1 358 . 16 1 1 A 37 37 GLY HA3 H 37 3.907 4.123 -0.216 1
1 359 . 16 1 1 A 37 37 GLY C C 37 174.055 171.580 2.475 1
1 360 . 16 1 1 A 37 37 GLY CA C 37 45.265 44.283 0.982 1
1 361 . 16 1 1 A 37 37 GLY N N 37 110.975 113.467 -2.492 1
1 362 . 16 1 1 A 38 38 GLU H H 38 8.081 8.588 -0.507 1
1 363 . 16 1 1 A 38 38 GLU HA H 38 4.274 4.921 -0.647 1
1 368 . 16 1 1 A 38 38 GLU C C 38 176.219 175.301 0.918 1
1 369 . 16 1 1 A 38 38 GLU CA C 38 56.377 55.116 1.261 1
1 370 . 16 1 1 A 38 38 GLU CB C 38 30.527 31.299 -0.772 1
1 372 . 16 1 1 A 38 38 GLU N N 38 120.346 120.584 -0.238 1
1 373 . 16 1 1 A 39 39 ARG H H 39 8.425 8.704 -0.279 1
1 374 . 16 1 1 A 39 39 ARG HA H 39 4.625 4.810 -0.185 1
1 381 . 16 1 1 A 39 39 ARG C C 39 174.184 173.600 0.584 1
1 382 . 16 1 1 A 39 39 ARG CA C 39 53.852 52.643 1.209 1
1 383 . 16 1 1 A 39 39 ARG CB C 39 30.221 32.205 -1.984 1
1 386 . 16 1 1 A 39 39 ARG N N 39 123.241 126.007 -2.766 1
1 387 . 16 1 1 A 40 40 PRO HA H 40 4.466 4.677 -0.211 1
1 394 . 16 1 1 A 40 40 PRO CA C 40 63.232 62.744 0.488 1
1 395 . 16 1 1 A 40 40 PRO CB C 40 32.199 31.764 0.435 1
1 398 . 16 1 1 A 41 41 SER H H 41 8.477 8.858 -0.381 1
1 399 . 16 1 1 A 41 41 SER HA H 41 4.465 4.313 0.152 1
1 402 . 16 1 1 A 41 41 SER CA C 41 63.248 60.587 2.661 1
1 403 . 16 1 1 A 41 41 SER CB C 41 63.863 63.577 0.286 1
1 404 . 16 1 1 A 41 41 SER N N 41 116.446 118.392 -1.946 1
1 405 . 16 1 1 A 42 42 GLY HA2 H 42 4.150 4.056 0.094 1
1 406 . 16 1 1 A 42 42 GLY HA3 H 42 4.111 4.056 0.055 1
1 407 . 16 1 1 A 42 42 GLY CA C 42 44.694 44.970 -0.276 1
1 408 . 16 1 1 A 43 43 PRO HA H 43 4.466 4.676 -0.210 1
1 415 . 16 1 1 A 43 43 PRO CA C 43 63.257 62.666 0.591 1
1 416 . 16 1 1 A 43 43 PRO CB C 43 32.200 32.677 -0.477 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 4.033 3.952 0.081 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 4.033 3.954 0.079 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.569 175.001 -0.432 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.511 46.679 -1.168 1
1 5 . 17 1 1 A 8 8 THR H H 8 8.149 7.913 0.236 1
1 6 . 17 1 1 A 8 8 THR HA H 8 4.347 4.039 0.308 1
1 11 . 17 1 1 A 8 8 THR C C 8 175.234 174.699 0.535 1
1 12 . 17 1 1 A 8 8 THR CA C 8 61.859 63.564 -1.705 1
1 13 . 17 1 1 A 8 8 THR CB C 8 69.813 70.016 -0.203 1
1 15 . 17 1 1 A 8 8 THR N N 8 112.732 114.846 -2.114 1
1 16 . 17 1 1 A 9 9 GLY H H 9 8.453 7.308 1.145 1
1 17 . 17 1 1 A 9 9 GLY HA2 H 9 3.962 4.001 -0.039 1
1 18 . 17 1 1 A 9 9 GLY HA3 H 9 3.910 4.006 -0.096 1
1 19 . 17 1 1 A 9 9 GLY C C 9 174.022 172.922 1.100 1
1 20 . 17 1 1 A 9 9 GLY CA C 9 45.333 45.034 0.299 1
1 21 . 17 1 1 A 9 9 GLY N N 9 110.884 108.054 2.830 1
1 22 . 17 1 1 A 10 10 GLU H H 10 8.181 8.567 -0.386 1
1 23 . 17 1 1 A 10 10 GLU HA H 10 4.169 4.595 -0.426 1
1 28 . 17 1 1 A 10 10 GLU C C 10 176.268 175.940 0.328 1
1 29 . 17 1 1 A 10 10 GLU CA C 10 56.763 56.135 0.628 1
1 30 . 17 1 1 A 10 10 GLU CB C 10 30.508 29.870 0.638 1
1 32 . 17 1 1 A 10 10 GLU N N 10 120.209 122.071 -1.862 1
1 33 . 17 1 1 A 11 11 LYS H H 11 8.281 8.833 -0.552 1
1 34 . 17 1 1 A 11 11 LYS HA H 11 4.497 4.448 0.049 1
1 43 . 17 1 1 A 11 11 LYS C C 11 174.193 176.344 -2.151 1
1 44 . 17 1 1 A 11 11 LYS CA C 11 53.986 53.847 0.139 1
1 45 . 17 1 1 A 11 11 LYS CB C 11 33.388 31.751 1.637 1
1 49 . 17 1 1 A 11 11 LYS N N 11 121.517 123.798 -2.281 1
1 50 . 17 1 1 A 12 12 PRO HA H 12 4.228 4.391 -0.163 1
1 57 . 17 1 1 A 12 12 PRO C C 12 176.683 176.055 0.628 1
1 58 . 17 1 1 A 12 12 PRO CA C 12 63.784 64.846 -1.062 1
1 59 . 17 1 1 A 12 12 PRO CB C 12 32.369 31.999 0.370 1
1 62 . 17 1 1 A 13 13 TYR H H 13 7.625 7.335 0.290 1
1 63 . 17 1 1 A 13 13 TYR HA H 13 4.660 5.157 -0.497 1
1 70 . 17 1 1 A 13 13 TYR C C 13 174.316 174.693 -0.377 1
1 71 . 17 1 1 A 13 13 TYR CA C 13 57.467 57.413 0.054 1
1 72 . 17 1 1 A 13 13 TYR CB C 13 38.002 41.241 -3.239 1
1 77 . 17 1 1 A 13 13 TYR N N 13 118.216 118.670 -0.454 1
1 78 . 17 1 1 A 14 14 LYS H H 14 8.546 8.826 -0.280 1
1 79 . 17 1 1 A 14 14 LYS HA H 14 4.958 5.072 -0.114 1
1 88 . 17 1 1 A 14 14 LYS C C 14 175.292 174.480 0.812 1
1 89 . 17 1 1 A 14 14 LYS CA C 14 55.108 55.500 -0.392 1
1 90 . 17 1 1 A 14 14 LYS CB C 14 35.439 36.254 -0.815 1
1 94 . 17 1 1 A 14 14 LYS N N 14 125.098 122.922 2.176 1
1 95 . 17 1 1 A 15 15 CYS H H 15 9.372 9.367 0.005 1
1 96 . 17 1 1 A 15 15 CYS HA H 15 4.607 4.775 -0.168 1
1 99 . 17 1 1 A 15 15 CYS C C 15 177.767 174.845 2.922 1
1 100 . 17 1 1 A 15 15 CYS CA C 15 59.867 59.716 0.151 1
1 101 . 17 1 1 A 15 15 CYS CB C 15 29.766 28.936 0.830 1
1 102 . 17 1 1 A 15 15 CYS N N 15 127.555 124.108 3.447 1
1 103 . 17 1 1 A 16 16 GLN H H 16 9.804 9.033 0.771 1
1 104 . 17 1 1 A 16 16 GLN HA H 16 4.188 4.707 -0.519 1
1 111 . 17 1 1 A 16 16 GLN C C 16 175.874 177.276 -1.402 1
1 112 . 17 1 1 A 16 16 GLN CA C 16 57.670 56.696 0.974 1
1 113 . 17 1 1 A 16 16 GLN CB C 16 28.775 31.244 -2.469 1
1 115 . 17 1 1 A 16 16 GLN N N 16 131.405 122.876 8.529 1
1 117 . 17 1 1 A 17 17 VAL H H 17 9.009 7.960 1.049 1
1 118 . 17 1 1 A 17 17 VAL HA H 17 3.779 3.841 -0.062 1
1 126 . 17 1 1 A 17 17 VAL C C 17 177.068 177.306 -0.238 1
1 127 . 17 1 1 A 17 17 VAL CA C 17 65.146 64.492 0.654 1
1 128 . 17 1 1 A 17 17 VAL CB C 17 32.795 31.493 1.302 1
1 131 . 17 1 1 A 17 17 VAL N N 17 121.843 117.383 4.460 1
1 132 . 17 1 1 A 18 18 CYS H H 18 8.265 7.964 0.301 1
1 133 . 17 1 1 A 18 18 CYS HA H 18 5.152 4.631 0.521 1
1 136 . 17 1 1 A 18 18 CYS C C 18 176.385 175.741 0.644 1
1 137 . 17 1 1 A 18 18 CYS CA C 18 58.209 59.248 -1.039 1
1 138 . 17 1 1 A 18 18 CYS CB C 18 33.029 30.188 2.841 1
1 139 . 17 1 1 A 18 18 CYS N N 18 116.001 117.077 -1.076 1
1 140 . 17 1 1 A 19 19 GLY H H 19 7.873 8.273 -0.400 1
1 141 . 17 1 1 A 19 19 GLY HA2 H 19 4.264 3.972 0.292 1
1 142 . 17 1 1 A 19 19 GLY HA3 H 19 3.769 3.999 -0.230 1
1 143 . 17 1 1 A 19 19 GLY C C 19 173.353 174.726 -1.373 1
1 144 . 17 1 1 A 19 19 GLY CA C 19 46.218 45.518 0.700 1
1 145 . 17 1 1 A 19 19 GLY N N 19 113.243 110.419 2.824 1
1 146 . 17 1 1 A 20 20 LYS H H 20 8.152 7.528 0.624 1
1 147 . 17 1 1 A 20 20 LYS HA H 20 3.894 4.204 -0.310 1
1 156 . 17 1 1 A 20 20 LYS C C 20 173.528 175.120 -1.592 1
1 157 . 17 1 1 A 20 20 LYS CA C 20 58.349 56.487 1.862 1
1 158 . 17 1 1 A 20 20 LYS CB C 20 33.384 33.962 -0.578 1
1 162 . 17 1 1 A 20 20 LYS N N 20 124.409 120.247 4.162 1
1 163 . 17 1 1 A 21 21 ALA H H 21 7.969 7.860 0.109 1
1 164 . 17 1 1 A 21 21 ALA HA H 21 5.197 5.129 0.068 1
1 168 . 17 1 1 A 21 21 ALA C C 21 175.930 174.952 0.978 1
1 169 . 17 1 1 A 21 21 ALA CA C 21 50.190 51.428 -1.238 1
1 170 . 17 1 1 A 21 21 ALA CB C 21 22.551 22.357 0.194 1
1 171 . 17 1 1 A 21 21 ALA N N 21 126.194 120.645 5.549 1
1 172 . 17 1 1 A 22 22 PHE H H 22 8.822 8.826 -0.004 1
1 173 . 17 1 1 A 22 22 PHE HA H 22 4.845 5.002 -0.157 1
1 181 . 17 1 1 A 22 22 PHE C C 22 175.249 175.931 -0.682 1
1 182 . 17 1 1 A 22 22 PHE CA C 22 57.103 56.366 0.737 1
1 183 . 17 1 1 A 22 22 PHE CB C 22 43.663 41.070 2.593 1
1 189 . 17 1 1 A 22 22 PHE N N 22 116.525 119.179 -2.654 1
1 190 . 17 1 1 A 23 23 ARG H H 23 9.561 8.600 0.961 1
1 191 . 17 1 1 A 23 23 ARG HA H 23 4.491 3.927 0.564 1
1 198 . 17 1 1 A 23 23 ARG C C 23 175.729 175.915 -0.186 1
1 199 . 17 1 1 A 23 23 ARG CA C 23 58.561 58.133 0.428 1
1 200 . 17 1 1 A 23 23 ARG CB C 23 31.997 29.913 2.084 1
1 203 . 17 1 1 A 23 23 ARG N N 23 120.820 124.006 -3.186 1
1 204 . 17 1 1 A 24 24 VAL H H 24 7.327 7.470 -0.143 1
1 205 . 17 1 1 A 24 24 VAL HA H 24 4.446 4.720 -0.274 1
1 213 . 17 1 1 A 24 24 VAL C C 24 176.671 175.852 0.819 1
1 214 . 17 1 1 A 24 24 VAL CA C 24 59.921 59.451 0.470 1
1 215 . 17 1 1 A 24 24 VAL CB C 24 34.347 34.261 0.086 1
1 218 . 17 1 1 A 24 24 VAL N N 24 112.687 115.868 -3.181 1
1 219 . 17 1 1 A 25 25 SER H H 25 8.506 9.153 -0.647 1
1 220 . 17 1 1 A 25 25 SER HA H 25 2.942 4.303 -1.361 1
1 223 . 17 1 1 A 25 25 SER CA C 25 61.633 61.368 0.265 1
1 224 . 17 1 1 A 25 25 SER CB C 25 61.752 62.991 -1.239 1
1 225 . 17 1 1 A 25 25 SER N N 25 123.315 119.281 4.034 1
1 226 . 17 1 1 A 26 26 SER HA H 26 3.990 4.201 -0.211 1
1 229 . 17 1 1 A 26 26 SER CA C 26 61.102 61.482 -0.380 1
1 230 . 17 1 1 A 26 26 SER CB C 26 61.860 62.627 -0.767 1
1 231 . 17 1 1 A 27 27 HIS H H 27 7.148 8.531 -1.383 1
1 232 . 17 1 1 A 27 27 HIS HA H 27 4.405 4.171 0.234 1
1 237 . 17 1 1 A 27 27 HIS CA C 27 56.698 59.049 -2.351 1
1 238 . 17 1 1 A 27 27 HIS CB C 27 30.201 29.950 0.251 1
1 241 . 17 1 1 A 27 27 HIS N N 27 120.679 118.524 2.155 1
1 242 . 17 1 1 A 28 28 LEU H H 28 6.828 8.001 -1.173 1
1 243 . 17 1 1 A 28 28 LEU HA H 28 3.317 2.124 1.193 1
1 253 . 17 1 1 A 28 28 LEU C C 28 176.993 178.163 -1.170 1
1 254 . 17 1 1 A 28 28 LEU CA C 28 57.560 57.646 -0.086 1
1 255 . 17 1 1 A 28 28 LEU CB C 28 39.868 41.690 -1.822 1
1 259 . 17 1 1 A 28 28 LEU N N 28 121.970 119.951 2.019 1
1 260 . 17 1 1 A 29 29 VAL H H 29 7.609 8.311 -0.702 1
1 261 . 17 1 1 A 29 29 VAL HA H 29 3.462 3.598 -0.136 1
1 269 . 17 1 1 A 29 29 VAL C C 29 179.326 177.813 1.513 1
1 270 . 17 1 1 A 29 29 VAL CA C 29 66.493 66.998 -0.505 1
1 271 . 17 1 1 A 29 29 VAL CB C 29 31.478 31.554 -0.076 1
1 274 . 17 1 1 A 29 29 VAL N N 29 118.483 119.059 -0.576 1
1 275 . 17 1 1 A 30 30 GLN H H 30 7.549 8.281 -0.732 1
1 276 . 17 1 1 A 30 30 GLN HA H 30 4.023 4.006 0.017 1
1 283 . 17 1 1 A 30 30 GLN C C 30 177.980 178.167 -0.187 1
1 284 . 17 1 1 A 30 30 GLN CA C 30 58.484 58.150 0.334 1
1 285 . 17 1 1 A 30 30 GLN CB C 30 28.527 28.613 -0.086 1
1 287 . 17 1 1 A 30 30 GLN N N 30 117.542 118.137 -0.595 1
1 289 . 17 1 1 A 31 31 HIS H H 31 7.580 7.866 -0.286 1
1 290 . 17 1 1 A 31 31 HIS HA H 31 4.246 4.122 0.124 1
1 295 . 17 1 1 A 31 31 HIS C C 31 175.449 176.752 -1.303 1
1 296 . 17 1 1 A 31 31 HIS CA C 31 58.704 58.156 0.548 1
1 297 . 17 1 1 A 31 31 HIS CB C 31 28.598 29.993 -1.395 1
1 300 . 17 1 1 A 31 31 HIS N N 31 119.448 120.757 -1.309 1
1 301 . 17 1 1 A 32 32 HIS H H 32 7.954 7.864 0.090 1
1 302 . 17 1 1 A 32 32 HIS HA H 32 4.254 4.309 -0.055 1
1 307 . 17 1 1 A 32 32 HIS C C 32 177.828 175.389 2.439 1
1 308 . 17 1 1 A 32 32 HIS CA C 32 59.496 58.123 1.373 1
1 309 . 17 1 1 A 32 32 HIS CB C 32 30.445 29.248 1.197 1
1 312 . 17 1 1 A 32 32 HIS N N 32 116.367 115.736 0.631 1
1 313 . 17 1 1 A 33 33 SER H H 33 7.525 7.839 -0.314 1
1 314 . 17 1 1 A 33 33 SER HA H 33 4.227 4.490 -0.263 1
1 317 . 17 1 1 A 33 33 SER C C 33 176.339 175.267 1.072 1
1 318 . 17 1 1 A 33 33 SER CA C 33 61.325 57.473 3.852 1
1 319 . 17 1 1 A 33 33 SER CB C 33 63.097 63.631 -0.534 1
1 320 . 17 1 1 A 33 33 SER N N 33 113.090 114.020 -0.930 1
1 321 . 17 1 1 A 34 34 VAL H H 34 7.958 7.758 0.200 1
1 322 . 17 1 1 A 34 34 VAL HA H 34 3.890 3.652 0.238 1
1 330 . 17 1 1 A 34 34 VAL C C 34 177.101 177.894 -0.793 1
1 331 . 17 1 1 A 34 34 VAL CA C 34 64.137 65.701 -1.564 1
1 332 . 17 1 1 A 34 34 VAL CB C 34 31.047 31.214 -0.167 1
1 335 . 17 1 1 A 34 34 VAL N N 34 119.960 119.411 0.549 1
1 336 . 17 1 1 A 35 35 HIS H H 35 7.191 7.204 -0.013 1
1 337 . 17 1 1 A 35 35 HIS HA H 35 4.945 4.370 0.575 1
1 342 . 17 1 1 A 35 35 HIS C C 35 175.350 175.723 -0.373 1
1 343 . 17 1 1 A 35 35 HIS CA C 35 54.443 58.853 -4.410 1
1 344 . 17 1 1 A 35 35 HIS CB C 35 28.590 29.960 -1.370 1
1 347 . 17 1 1 A 35 35 HIS N N 35 116.514 120.503 -3.989 1
1 348 . 17 1 1 A 36 36 SER H H 36 7.762 7.764 -0.002 1
1 349 . 17 1 1 A 36 36 SER HA H 36 4.393 4.431 -0.038 1
1 352 . 17 1 1 A 36 36 SER C C 36 175.126 174.023 1.103 1
1 353 . 17 1 1 A 36 36 SER CA C 36 59.210 58.149 1.061 1
1 354 . 17 1 1 A 36 36 SER CB C 36 63.861 63.700 0.161 1
1 355 . 17 1 1 A 36 36 SER N N 36 115.134 111.516 3.618 1
1 356 . 17 1 1 A 37 37 GLY H H 37 8.425 8.316 0.109 1
1 357 . 17 1 1 A 37 37 GLY HA2 H 37 3.964 4.217 -0.253 1
1 358 . 17 1 1 A 37 37 GLY HA3 H 37 3.907 4.219 -0.312 1
1 359 . 17 1 1 A 37 37 GLY C C 37 174.055 173.672 0.383 1
1 360 . 17 1 1 A 37 37 GLY CA C 37 45.265 46.199 -0.934 1
1 361 . 17 1 1 A 37 37 GLY N N 37 110.975 108.936 2.039 1
1 362 . 17 1 1 A 38 38 GLU H H 38 8.081 8.502 -0.421 1
1 363 . 17 1 1 A 38 38 GLU HA H 38 4.274 4.450 -0.176 1
1 368 . 17 1 1 A 38 38 GLU C C 38 176.219 176.018 0.201 1
1 369 . 17 1 1 A 38 38 GLU CA C 38 56.377 55.986 0.391 1
1 370 . 17 1 1 A 38 38 GLU CB C 38 30.527 31.005 -0.478 1
1 372 . 17 1 1 A 38 38 GLU N N 38 120.346 124.664 -4.318 1
1 373 . 17 1 1 A 39 39 ARG H H 39 8.425 7.376 1.049 1
1 374 . 17 1 1 A 39 39 ARG HA H 39 4.625 4.452 0.173 1
1 381 . 17 1 1 A 39 39 ARG C C 39 174.184 175.688 -1.504 1
1 382 . 17 1 1 A 39 39 ARG CA C 39 53.852 55.349 -1.497 1
1 383 . 17 1 1 A 39 39 ARG CB C 39 30.221 30.265 -0.044 1
1 386 . 17 1 1 A 39 39 ARG N N 39 123.241 119.701 3.540 1
1 387 . 17 1 1 A 40 40 PRO HA H 40 4.466 4.468 -0.002 1
1 394 . 17 1 1 A 40 40 PRO CA C 40 63.232 62.937 0.295 1
1 395 . 17 1 1 A 40 40 PRO CB C 40 32.199 32.064 0.135 1
1 398 . 17 1 1 A 41 41 SER H H 41 8.477 8.314 0.163 1
1 399 . 17 1 1 A 41 41 SER HA H 41 4.465 4.312 0.153 1
1 402 . 17 1 1 A 41 41 SER CA C 41 63.248 60.340 2.908 1
1 403 . 17 1 1 A 41 41 SER CB C 41 63.863 63.751 0.112 1
1 404 . 17 1 1 A 41 41 SER N N 41 116.446 118.567 -2.121 1
1 405 . 17 1 1 A 42 42 GLY HA2 H 42 4.150 4.330 -0.180 1
1 406 . 17 1 1 A 42 42 GLY HA3 H 42 4.111 4.331 -0.220 1
1 407 . 17 1 1 A 42 42 GLY CA C 42 44.694 45.892 -1.198 1
1 408 . 17 1 1 A 43 43 PRO HA H 43 4.466 4.478 -0.012 1
1 415 . 17 1 1 A 43 43 PRO CA C 43 63.257 64.692 -1.435 1
1 416 . 17 1 1 A 43 43 PRO CB C 43 32.200 32.143 0.057 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 4.033 3.858 0.175 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 4.033 3.860 0.173 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.569 174.659 -0.090 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.511 47.090 -1.579 1
1 5 . 18 1 1 A 8 8 THR H H 8 8.149 7.854 0.295 1
1 6 . 18 1 1 A 8 8 THR HA H 8 4.347 4.460 -0.113 1
1 11 . 18 1 1 A 8 8 THR C C 8 175.234 173.577 1.657 1
1 12 . 18 1 1 A 8 8 THR CA C 8 61.859 60.827 1.032 1
1 13 . 18 1 1 A 8 8 THR CB C 8 69.813 67.558 2.255 1
1 15 . 18 1 1 A 8 8 THR N N 8 112.732 114.417 -1.685 1
1 16 . 18 1 1 A 9 9 GLY H H 9 8.453 8.251 0.202 1
1 17 . 18 1 1 A 9 9 GLY HA2 H 9 3.962 4.193 -0.231 1
1 18 . 18 1 1 A 9 9 GLY HA3 H 9 3.910 4.196 -0.286 1
1 19 . 18 1 1 A 9 9 GLY C C 9 174.022 171.795 2.227 1
1 20 . 18 1 1 A 9 9 GLY CA C 9 45.333 45.106 0.227 1
1 21 . 18 1 1 A 9 9 GLY N N 9 110.884 114.846 -3.962 1
1 22 . 18 1 1 A 10 10 GLU H H 10 8.181 8.959 -0.778 1
1 23 . 18 1 1 A 10 10 GLU HA H 10 4.169 4.573 -0.404 1
1 28 . 18 1 1 A 10 10 GLU C C 10 176.268 176.269 -0.001 1
1 29 . 18 1 1 A 10 10 GLU CA C 10 56.763 55.904 0.859 1
1 30 . 18 1 1 A 10 10 GLU CB C 10 30.508 30.979 -0.471 1
1 32 . 18 1 1 A 10 10 GLU N N 10 120.209 125.963 -5.754 1
1 33 . 18 1 1 A 11 11 LYS H H 11 8.281 8.741 -0.460 1
1 34 . 18 1 1 A 11 11 LYS HA H 11 4.497 4.397 0.100 1
1 43 . 18 1 1 A 11 11 LYS C C 11 174.193 176.528 -2.335 1
1 44 . 18 1 1 A 11 11 LYS CA C 11 53.986 54.177 -0.191 1
1 45 . 18 1 1 A 11 11 LYS CB C 11 33.388 31.854 1.534 1
1 49 . 18 1 1 A 11 11 LYS N N 11 121.517 124.585 -3.068 1
1 50 . 18 1 1 A 12 12 PRO HA H 12 4.228 4.375 -0.147 1
1 57 . 18 1 1 A 12 12 PRO C C 12 176.683 176.053 0.630 1
1 58 . 18 1 1 A 12 12 PRO CA C 12 63.784 64.942 -1.158 1
1 59 . 18 1 1 A 12 12 PRO CB C 12 32.369 31.807 0.562 1
1 62 . 18 1 1 A 13 13 TYR H H 13 7.625 7.401 0.224 1
1 63 . 18 1 1 A 13 13 TYR HA H 13 4.660 5.040 -0.380 1
1 70 . 18 1 1 A 13 13 TYR C C 13 174.316 175.268 -0.952 1
1 71 . 18 1 1 A 13 13 TYR CA C 13 57.467 57.627 -0.160 1
1 72 . 18 1 1 A 13 13 TYR CB C 13 38.002 40.559 -2.557 1
1 77 . 18 1 1 A 13 13 TYR N N 13 118.216 118.462 -0.246 1
1 78 . 18 1 1 A 14 14 LYS H H 14 8.546 8.708 -0.162 1
1 79 . 18 1 1 A 14 14 LYS HA H 14 4.958 5.153 -0.195 1
1 88 . 18 1 1 A 14 14 LYS C C 14 175.292 174.543 0.749 1
1 89 . 18 1 1 A 14 14 LYS CA C 14 55.108 55.550 -0.442 1
1 90 . 18 1 1 A 14 14 LYS CB C 14 35.439 36.044 -0.605 1
1 94 . 18 1 1 A 14 14 LYS N N 14 125.098 122.716 2.382 1
1 95 . 18 1 1 A 15 15 CYS H H 15 9.372 9.520 -0.148 1
1 96 . 18 1 1 A 15 15 CYS HA H 15 4.607 4.671 -0.064 1
1 99 . 18 1 1 A 15 15 CYS C C 15 177.767 174.809 2.958 1
1 100 . 18 1 1 A 15 15 CYS CA C 15 59.867 59.425 0.442 1
1 101 . 18 1 1 A 15 15 CYS CB C 15 29.766 28.904 0.862 1
1 102 . 18 1 1 A 15 15 CYS N N 15 127.555 124.182 3.373 1
1 103 . 18 1 1 A 16 16 GLN H H 16 9.804 8.956 0.848 1
1 104 . 18 1 1 A 16 16 GLN HA H 16 4.188 4.666 -0.478 1
1 111 . 18 1 1 A 16 16 GLN C C 16 175.874 177.482 -1.608 1
1 112 . 18 1 1 A 16 16 GLN CA C 16 57.670 56.857 0.813 1
1 113 . 18 1 1 A 16 16 GLN CB C 16 28.775 31.142 -2.367 1
1 115 . 18 1 1 A 16 16 GLN N N 16 131.405 122.772 8.633 1
1 117 . 18 1 1 A 17 17 VAL H H 17 9.009 8.018 0.991 1
1 118 . 18 1 1 A 17 17 VAL HA H 17 3.779 3.843 -0.064 1
1 126 . 18 1 1 A 17 17 VAL C C 17 177.068 177.151 -0.083 1
1 127 . 18 1 1 A 17 17 VAL CA C 17 65.146 64.405 0.741 1
1 128 . 18 1 1 A 17 17 VAL CB C 17 32.795 31.381 1.414 1
1 131 . 18 1 1 A 17 17 VAL N N 17 121.843 117.343 4.500 1
1 132 . 18 1 1 A 18 18 CYS H H 18 8.265 7.847 0.418 1
1 133 . 18 1 1 A 18 18 CYS HA H 18 5.152 4.664 0.488 1
1 136 . 18 1 1 A 18 18 CYS C C 18 176.385 176.005 0.380 1
1 137 . 18 1 1 A 18 18 CYS CA C 18 58.209 59.197 -0.988 1
1 138 . 18 1 1 A 18 18 CYS CB C 18 33.029 30.540 2.489 1
1 139 . 18 1 1 A 18 18 CYS N N 18 116.001 117.652 -1.651 1
1 140 . 18 1 1 A 19 19 GLY H H 19 7.873 8.244 -0.371 1
1 141 . 18 1 1 A 19 19 GLY HA2 H 19 4.264 3.945 0.319 1
1 142 . 18 1 1 A 19 19 GLY HA3 H 19 3.769 3.971 -0.202 1
1 143 . 18 1 1 A 19 19 GLY C C 19 173.353 174.746 -1.393 1
1 144 . 18 1 1 A 19 19 GLY CA C 19 46.218 45.580 0.638 1
1 145 . 18 1 1 A 19 19 GLY N N 19 113.243 110.536 2.707 1
1 146 . 18 1 1 A 20 20 LYS H H 20 8.152 7.508 0.644 1
1 147 . 18 1 1 A 20 20 LYS HA H 20 3.894 4.205 -0.311 1
1 156 . 18 1 1 A 20 20 LYS C C 20 173.528 174.870 -1.342 1
1 157 . 18 1 1 A 20 20 LYS CA C 20 58.349 56.443 1.906 1
1 158 . 18 1 1 A 20 20 LYS CB C 20 33.384 33.949 -0.565 1
1 162 . 18 1 1 A 20 20 LYS N N 20 124.409 120.306 4.103 1
1 163 . 18 1 1 A 21 21 ALA H H 21 7.969 7.868 0.101 1
1 164 . 18 1 1 A 21 21 ALA HA H 21 5.197 5.236 -0.039 1
1 168 . 18 1 1 A 21 21 ALA C C 21 175.930 174.844 1.086 1
1 169 . 18 1 1 A 21 21 ALA CA C 21 50.190 50.978 -0.788 1
1 170 . 18 1 1 A 21 21 ALA CB C 21 22.551 22.900 -0.349 1
1 171 . 18 1 1 A 21 21 ALA N N 21 126.194 120.710 5.484 1
1 172 . 18 1 1 A 22 22 PHE H H 22 8.822 8.723 0.099 1
1 173 . 18 1 1 A 22 22 PHE HA H 22 4.845 5.094 -0.249 1
1 181 . 18 1 1 A 22 22 PHE C C 22 175.249 175.757 -0.508 1
1 182 . 18 1 1 A 22 22 PHE CA C 22 57.103 56.450 0.653 1
1 183 . 18 1 1 A 22 22 PHE CB C 22 43.663 41.077 2.586 1
1 189 . 18 1 1 A 22 22 PHE N N 22 116.525 117.487 -0.962 1
1 190 . 18 1 1 A 23 23 ARG H H 23 9.561 8.670 0.891 1
1 191 . 18 1 1 A 23 23 ARG HA H 23 4.491 3.902 0.589 1
1 198 . 18 1 1 A 23 23 ARG C C 23 175.729 175.935 -0.206 1
1 199 . 18 1 1 A 23 23 ARG CA C 23 58.561 58.333 0.228 1
1 200 . 18 1 1 A 23 23 ARG CB C 23 31.997 29.915 2.082 1
1 203 . 18 1 1 A 23 23 ARG N N 23 120.820 123.514 -2.694 1
1 204 . 18 1 1 A 24 24 VAL H H 24 7.327 7.593 -0.266 1
1 205 . 18 1 1 A 24 24 VAL HA H 24 4.446 4.787 -0.341 1
1 213 . 18 1 1 A 24 24 VAL C C 24 176.671 175.848 0.823 1
1 214 . 18 1 1 A 24 24 VAL CA C 24 59.921 59.399 0.522 1
1 215 . 18 1 1 A 24 24 VAL CB C 24 34.347 34.245 0.102 1
1 218 . 18 1 1 A 24 24 VAL N N 24 112.687 116.359 -3.672 1
1 219 . 18 1 1 A 25 25 SER H H 25 8.506 9.030 -0.524 1
1 220 . 18 1 1 A 25 25 SER HA H 25 2.942 4.181 -1.239 1
1 223 . 18 1 1 A 25 25 SER CA C 25 61.633 61.203 0.430 1
1 224 . 18 1 1 A 25 25 SER CB C 25 61.752 62.921 -1.169 1
1 225 . 18 1 1 A 25 25 SER N N 25 123.315 118.845 4.470 1
1 226 . 18 1 1 A 26 26 SER HA H 26 3.990 4.157 -0.167 1
1 229 . 18 1 1 A 26 26 SER CA C 26 61.102 62.283 -1.181 1
1 230 . 18 1 1 A 26 26 SER CB C 26 61.860 62.896 -1.036 1
1 231 . 18 1 1 A 27 27 HIS H H 27 7.148 8.069 -0.921 1
1 232 . 18 1 1 A 27 27 HIS HA H 27 4.405 4.265 0.140 1
1 237 . 18 1 1 A 27 27 HIS CA C 27 56.698 58.985 -2.287 1
1 238 . 18 1 1 A 27 27 HIS CB C 27 30.201 29.983 0.218 1
1 241 . 18 1 1 A 27 27 HIS N N 27 120.679 119.336 1.343 1
1 242 . 18 1 1 A 28 28 LEU H H 28 6.828 8.070 -1.242 1
1 243 . 18 1 1 A 28 28 LEU HA H 28 3.317 2.058 1.259 1
1 253 . 18 1 1 A 28 28 LEU C C 28 176.993 178.136 -1.143 1
1 254 . 18 1 1 A 28 28 LEU CA C 28 57.560 57.420 0.140 1
1 255 . 18 1 1 A 28 28 LEU CB C 28 39.868 41.556 -1.688 1
1 259 . 18 1 1 A 28 28 LEU N N 28 121.970 120.138 1.832 1
1 260 . 18 1 1 A 29 29 VAL H H 29 7.609 7.943 -0.334 1
1 261 . 18 1 1 A 29 29 VAL HA H 29 3.462 3.595 -0.133 1
1 269 . 18 1 1 A 29 29 VAL C C 29 179.326 177.900 1.426 1
1 270 . 18 1 1 A 29 29 VAL CA C 29 66.493 66.829 -0.336 1
1 271 . 18 1 1 A 29 29 VAL CB C 29 31.478 31.588 -0.110 1
1 274 . 18 1 1 A 29 29 VAL N N 29 118.483 118.804 -0.321 1
1 275 . 18 1 1 A 30 30 GLN H H 30 7.549 7.947 -0.398 1
1 276 . 18 1 1 A 30 30 GLN HA H 30 4.023 4.013 0.010 1
1 283 . 18 1 1 A 30 30 GLN C C 30 177.980 178.075 -0.095 1
1 284 . 18 1 1 A 30 30 GLN CA C 30 58.484 58.180 0.304 1
1 285 . 18 1 1 A 30 30 GLN CB C 30 28.527 28.672 -0.145 1
1 287 . 18 1 1 A 30 30 GLN N N 30 117.542 118.190 -0.648 1
1 289 . 18 1 1 A 31 31 HIS H H 31 7.580 7.734 -0.154 1
1 290 . 18 1 1 A 31 31 HIS HA H 31 4.246 4.136 0.110 1
1 295 . 18 1 1 A 31 31 HIS C C 31 175.449 176.792 -1.343 1
1 296 . 18 1 1 A 31 31 HIS CA C 31 58.704 58.033 0.671 1
1 297 . 18 1 1 A 31 31 HIS CB C 31 28.598 30.131 -1.533 1
1 300 . 18 1 1 A 31 31 HIS N N 31 119.448 120.818 -1.370 1
1 301 . 18 1 1 A 32 32 HIS H H 32 7.954 8.043 -0.089 1
1 302 . 18 1 1 A 32 32 HIS HA H 32 4.254 4.332 -0.078 1
1 307 . 18 1 1 A 32 32 HIS C C 32 177.828 175.544 2.284 1
1 308 . 18 1 1 A 32 32 HIS CA C 32 59.496 58.026 1.470 1
1 309 . 18 1 1 A 32 32 HIS CB C 32 30.445 29.238 1.207 1
1 312 . 18 1 1 A 32 32 HIS N N 32 116.367 115.768 0.599 1
1 313 . 18 1 1 A 33 33 SER H H 33 7.525 7.578 -0.053 1
1 314 . 18 1 1 A 33 33 SER HA H 33 4.227 4.385 -0.158 1
1 317 . 18 1 1 A 33 33 SER C C 33 176.339 176.412 -0.073 1
1 318 . 18 1 1 A 33 33 SER CA C 33 61.325 58.002 3.323 1
1 319 . 18 1 1 A 33 33 SER CB C 33 63.097 64.309 -1.212 1
1 320 . 18 1 1 A 33 33 SER N N 33 113.090 111.013 2.077 1
1 321 . 18 1 1 A 34 34 VAL H H 34 7.958 7.734 0.224 1
1 322 . 18 1 1 A 34 34 VAL HA H 34 3.890 3.776 0.114 1
1 330 . 18 1 1 A 34 34 VAL C C 34 177.101 176.201 0.900 1
1 331 . 18 1 1 A 34 34 VAL CA C 34 64.137 65.713 -1.576 1
1 332 . 18 1 1 A 34 34 VAL CB C 34 31.047 31.000 0.047 1
1 335 . 18 1 1 A 34 34 VAL N N 34 119.960 120.881 -0.921 1
1 336 . 18 1 1 A 35 35 HIS H H 35 7.191 7.253 -0.062 1
1 337 . 18 1 1 A 35 35 HIS HA H 35 4.945 4.635 0.310 1
1 342 . 18 1 1 A 35 35 HIS C C 35 175.350 174.683 0.667 1
1 343 . 18 1 1 A 35 35 HIS CA C 35 54.443 55.501 -1.058 1
1 344 . 18 1 1 A 35 35 HIS CB C 35 28.590 28.935 -0.345 1
1 347 . 18 1 1 A 35 35 HIS N N 35 116.514 120.022 -3.508 1
1 348 . 18 1 1 A 36 36 SER H H 36 7.762 7.724 0.038 1
1 349 . 18 1 1 A 36 36 SER HA H 36 4.393 4.922 -0.529 1
1 352 . 18 1 1 A 36 36 SER C C 36 175.126 174.031 1.095 1
1 353 . 18 1 1 A 36 36 SER CA C 36 59.210 57.749 1.461 1
1 354 . 18 1 1 A 36 36 SER CB C 36 63.861 66.016 -2.155 1
1 355 . 18 1 1 A 36 36 SER N N 36 115.134 114.297 0.837 1
1 356 . 18 1 1 A 37 37 GLY H H 37 8.425 8.381 0.044 1
1 357 . 18 1 1 A 37 37 GLY HA2 H 37 3.964 3.974 -0.010 1
1 358 . 18 1 1 A 37 37 GLY HA3 H 37 3.907 3.977 -0.070 1
1 359 . 18 1 1 A 37 37 GLY C C 37 174.055 174.415 -0.360 1
1 360 . 18 1 1 A 37 37 GLY CA C 37 45.265 45.465 -0.200 1
1 361 . 18 1 1 A 37 37 GLY N N 37 110.975 112.759 -1.784 1
1 362 . 18 1 1 A 38 38 GLU H H 38 8.081 7.911 0.170 1
1 363 . 18 1 1 A 38 38 GLU HA H 38 4.274 4.616 -0.342 1
1 368 . 18 1 1 A 38 38 GLU C C 38 176.219 176.118 0.101 1
1 369 . 18 1 1 A 38 38 GLU CA C 38 56.377 54.643 1.734 1
1 370 . 18 1 1 A 38 38 GLU CB C 38 30.527 30.768 -0.241 1
1 372 . 18 1 1 A 38 38 GLU N N 38 120.346 119.211 1.135 1
1 373 . 18 1 1 A 39 39 ARG H H 39 8.425 8.142 0.283 1
1 374 . 18 1 1 A 39 39 ARG HA H 39 4.625 4.267 0.358 1
1 381 . 18 1 1 A 39 39 ARG C C 39 174.184 175.040 -0.856 1
1 382 . 18 1 1 A 39 39 ARG CA C 39 53.852 54.440 -0.588 1
1 383 . 18 1 1 A 39 39 ARG CB C 39 30.221 30.896 -0.675 1
1 386 . 18 1 1 A 39 39 ARG N N 39 123.241 122.156 1.085 1
1 387 . 18 1 1 A 40 40 PRO HA H 40 4.466 4.675 -0.209 1
1 394 . 18 1 1 A 40 40 PRO CA C 40 63.232 62.843 0.389 1
1 395 . 18 1 1 A 40 40 PRO CB C 40 32.199 32.279 -0.080 1
1 398 . 18 1 1 A 41 41 SER H H 41 8.477 8.881 -0.404 1
1 399 . 18 1 1 A 41 41 SER HA H 41 4.465 4.164 0.301 1
1 402 . 18 1 1 A 41 41 SER CA C 41 63.248 61.099 2.149 1
1 403 . 18 1 1 A 41 41 SER CB C 41 63.863 63.432 0.431 1
1 404 . 18 1 1 A 41 41 SER N N 41 116.446 116.775 -0.329 1
1 405 . 18 1 1 A 42 42 GLY HA2 H 42 4.150 4.058 0.092 1
1 406 . 18 1 1 A 42 42 GLY HA3 H 42 4.111 4.058 0.053 1
1 407 . 18 1 1 A 42 42 GLY CA C 42 44.694 44.543 0.151 1
1 408 . 18 1 1 A 43 43 PRO HA H 43 4.466 4.681 -0.215 1
1 415 . 18 1 1 A 43 43 PRO CA C 43 63.257 62.654 0.603 1
1 416 . 18 1 1 A 43 43 PRO CB C 43 32.200 32.170 0.030 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 4.033 3.880 0.153 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 4.033 3.890 0.143 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.569 174.657 -0.088 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.511 45.709 -0.198 1
1 5 . 19 1 1 A 8 8 THR H H 8 8.149 8.639 -0.490 1
1 6 . 19 1 1 A 8 8 THR HA H 8 4.347 3.914 0.433 1
1 11 . 19 1 1 A 8 8 THR C C 8 175.234 173.734 1.500 1
1 12 . 19 1 1 A 8 8 THR CA C 8 61.859 63.057 -1.198 1
1 13 . 19 1 1 A 8 8 THR CB C 8 69.813 67.744 2.069 1
1 15 . 19 1 1 A 8 8 THR N N 8 112.732 119.597 -6.865 1
1 16 . 19 1 1 A 9 9 GLY H H 9 8.453 8.259 0.194 1
1 17 . 19 1 1 A 9 9 GLY HA2 H 9 3.962 4.105 -0.143 1
1 18 . 19 1 1 A 9 9 GLY HA3 H 9 3.910 4.108 -0.198 1
1 19 . 19 1 1 A 9 9 GLY C C 9 174.022 173.162 0.860 1
1 20 . 19 1 1 A 9 9 GLY CA C 9 45.333 44.889 0.444 1
1 21 . 19 1 1 A 9 9 GLY N N 9 110.884 107.292 3.592 1
1 22 . 19 1 1 A 10 10 GLU H H 10 8.181 8.503 -0.322 1
1 23 . 19 1 1 A 10 10 GLU HA H 10 4.169 4.271 -0.102 1
1 28 . 19 1 1 A 10 10 GLU C C 10 176.268 175.920 0.348 1
1 29 . 19 1 1 A 10 10 GLU CA C 10 56.763 56.537 0.226 1
1 30 . 19 1 1 A 10 10 GLU CB C 10 30.508 29.887 0.621 1
1 32 . 19 1 1 A 10 10 GLU N N 10 120.209 123.203 -2.994 1
1 33 . 19 1 1 A 11 11 LYS H H 11 8.281 8.876 -0.595 1
1 34 . 19 1 1 A 11 11 LYS HA H 11 4.497 4.490 0.007 1
1 43 . 19 1 1 A 11 11 LYS C C 11 174.193 176.371 -2.178 1
1 44 . 19 1 1 A 11 11 LYS CA C 11 53.986 53.545 0.441 1
1 45 . 19 1 1 A 11 11 LYS CB C 11 33.388 32.090 1.298 1
1 49 . 19 1 1 A 11 11 LYS N N 11 121.517 123.069 -1.552 1
1 50 . 19 1 1 A 12 12 PRO HA H 12 4.228 4.342 -0.114 1
1 57 . 19 1 1 A 12 12 PRO C C 12 176.683 175.991 0.692 1
1 58 . 19 1 1 A 12 12 PRO CA C 12 63.784 64.801 -1.017 1
1 59 . 19 1 1 A 12 12 PRO CB C 12 32.369 31.917 0.452 1
1 62 . 19 1 1 A 13 13 TYR H H 13 7.625 7.367 0.258 1
1 63 . 19 1 1 A 13 13 TYR HA H 13 4.660 5.078 -0.418 1
1 70 . 19 1 1 A 13 13 TYR C C 13 174.316 174.819 -0.503 1
1 71 . 19 1 1 A 13 13 TYR CA C 13 57.467 57.545 -0.078 1
1 72 . 19 1 1 A 13 13 TYR CB C 13 38.002 40.958 -2.956 1
1 77 . 19 1 1 A 13 13 TYR N N 13 118.216 118.460 -0.244 1
1 78 . 19 1 1 A 14 14 LYS H H 14 8.546 8.734 -0.188 1
1 79 . 19 1 1 A 14 14 LYS HA H 14 4.958 5.055 -0.097 1
1 88 . 19 1 1 A 14 14 LYS C C 14 175.292 174.474 0.818 1
1 89 . 19 1 1 A 14 14 LYS CA C 14 55.108 55.563 -0.455 1
1 90 . 19 1 1 A 14 14 LYS CB C 14 35.439 36.091 -0.652 1
1 94 . 19 1 1 A 14 14 LYS N N 14 125.098 122.447 2.651 1
1 95 . 19 1 1 A 15 15 CYS H H 15 9.372 9.315 0.057 1
1 96 . 19 1 1 A 15 15 CYS HA H 15 4.607 4.688 -0.081 1
1 99 . 19 1 1 A 15 15 CYS C C 15 177.767 174.677 3.090 1
1 100 . 19 1 1 A 15 15 CYS CA C 15 59.867 59.404 0.463 1
1 101 . 19 1 1 A 15 15 CYS CB C 15 29.766 28.851 0.915 1
1 102 . 19 1 1 A 15 15 CYS N N 15 127.555 124.136 3.419 1
1 103 . 19 1 1 A 16 16 GLN H H 16 9.804 8.943 0.861 1
1 104 . 19 1 1 A 16 16 GLN HA H 16 4.188 4.687 -0.499 1
1 111 . 19 1 1 A 16 16 GLN C C 16 175.874 177.603 -1.729 1
1 112 . 19 1 1 A 16 16 GLN CA C 16 57.670 56.863 0.807 1
1 113 . 19 1 1 A 16 16 GLN CB C 16 28.775 31.105 -2.330 1
1 115 . 19 1 1 A 16 16 GLN N N 16 131.405 122.807 8.598 1
1 117 . 19 1 1 A 17 17 VAL H H 17 9.009 8.010 0.999 1
1 118 . 19 1 1 A 17 17 VAL HA H 17 3.779 3.848 -0.069 1
1 126 . 19 1 1 A 17 17 VAL C C 17 177.068 177.275 -0.207 1
1 127 . 19 1 1 A 17 17 VAL CA C 17 65.146 64.414 0.732 1
1 128 . 19 1 1 A 17 17 VAL CB C 17 32.795 31.425 1.370 1
1 131 . 19 1 1 A 17 17 VAL N N 17 121.843 117.313 4.530 1
1 132 . 19 1 1 A 18 18 CYS H H 18 8.265 7.845 0.420 1
1 133 . 19 1 1 A 18 18 CYS HA H 18 5.152 4.652 0.500 1
1 136 . 19 1 1 A 18 18 CYS C C 18 176.385 176.014 0.371 1
1 137 . 19 1 1 A 18 18 CYS CA C 18 58.209 59.120 -0.911 1
1 138 . 19 1 1 A 18 18 CYS CB C 18 33.029 30.574 2.455 1
1 139 . 19 1 1 A 18 18 CYS N N 18 116.001 117.087 -1.086 1
1 140 . 19 1 1 A 19 19 GLY H H 19 7.873 8.246 -0.373 1
1 141 . 19 1 1 A 19 19 GLY HA2 H 19 4.264 3.923 0.341 1
1 142 . 19 1 1 A 19 19 GLY HA3 H 19 3.769 3.946 -0.177 1
1 143 . 19 1 1 A 19 19 GLY C C 19 173.353 174.732 -1.379 1
1 144 . 19 1 1 A 19 19 GLY CA C 19 46.218 45.755 0.463 1
1 145 . 19 1 1 A 19 19 GLY N N 19 113.243 110.530 2.713 1
1 146 . 19 1 1 A 20 20 LYS H H 20 8.152 7.551 0.601 1
1 147 . 19 1 1 A 20 20 LYS HA H 20 3.894 4.181 -0.287 1
1 156 . 19 1 1 A 20 20 LYS C C 20 173.528 175.191 -1.663 1
1 157 . 19 1 1 A 20 20 LYS CA C 20 58.349 56.587 1.762 1
1 158 . 19 1 1 A 20 20 LYS CB C 20 33.384 33.966 -0.582 1
1 162 . 19 1 1 A 20 20 LYS N N 20 124.409 120.290 4.119 1
1 163 . 19 1 1 A 21 21 ALA H H 21 7.969 7.896 0.073 1
1 164 . 19 1 1 A 21 21 ALA HA H 21 5.197 5.041 0.156 1
1 168 . 19 1 1 A 21 21 ALA C C 21 175.930 174.891 1.039 1
1 169 . 19 1 1 A 21 21 ALA CA C 21 50.190 51.279 -1.089 1
1 170 . 19 1 1 A 21 21 ALA CB C 21 22.551 22.615 -0.064 1
1 171 . 19 1 1 A 21 21 ALA N N 21 126.194 120.620 5.574 1
1 172 . 19 1 1 A 22 22 PHE H H 22 8.822 8.588 0.234 1
1 173 . 19 1 1 A 22 22 PHE HA H 22 4.845 5.038 -0.193 1
1 181 . 19 1 1 A 22 22 PHE C C 22 175.249 175.814 -0.565 1
1 182 . 19 1 1 A 22 22 PHE CA C 22 57.103 56.398 0.705 1
1 183 . 19 1 1 A 22 22 PHE CB C 22 43.663 41.078 2.585 1
1 189 . 19 1 1 A 22 22 PHE N N 22 116.525 118.790 -2.265 1
1 190 . 19 1 1 A 23 23 ARG H H 23 9.561 8.533 1.028 1
1 191 . 19 1 1 A 23 23 ARG HA H 23 4.491 3.980 0.511 1
1 198 . 19 1 1 A 23 23 ARG C C 23 175.729 176.096 -0.367 1
1 199 . 19 1 1 A 23 23 ARG CA C 23 58.561 58.523 0.038 1
1 200 . 19 1 1 A 23 23 ARG CB C 23 31.997 29.764 2.233 1
1 203 . 19 1 1 A 23 23 ARG N N 23 120.820 123.649 -2.829 1
1 204 . 19 1 1 A 24 24 VAL H H 24 7.327 7.723 -0.396 1
1 205 . 19 1 1 A 24 24 VAL HA H 24 4.446 4.680 -0.234 1
1 213 . 19 1 1 A 24 24 VAL C C 24 176.671 175.751 0.920 1
1 214 . 19 1 1 A 24 24 VAL CA C 24 59.921 59.927 -0.006 1
1 215 . 19 1 1 A 24 24 VAL CB C 24 34.347 34.264 0.083 1
1 218 . 19 1 1 A 24 24 VAL N N 24 112.687 116.739 -4.052 1
1 219 . 19 1 1 A 25 25 SER H H 25 8.506 9.194 -0.688 1
1 220 . 19 1 1 A 25 25 SER HA H 25 2.942 4.176 -1.234 1
1 223 . 19 1 1 A 25 25 SER CA C 25 61.633 61.250 0.383 1
1 224 . 19 1 1 A 25 25 SER CB C 25 61.752 62.514 -0.762 1
1 225 . 19 1 1 A 25 25 SER N N 25 123.315 119.840 3.475 1
1 226 . 19 1 1 A 26 26 SER HA H 26 3.990 4.133 -0.143 1
1 229 . 19 1 1 A 26 26 SER CA C 26 61.102 61.862 -0.760 1
1 230 . 19 1 1 A 26 26 SER CB C 26 61.860 63.054 -1.194 1
1 231 . 19 1 1 A 27 27 HIS H H 27 7.148 8.598 -1.450 1
1 232 . 19 1 1 A 27 27 HIS HA H 27 4.405 4.222 0.183 1
1 237 . 19 1 1 A 27 27 HIS CA C 27 56.698 59.214 -2.516 1
1 238 . 19 1 1 A 27 27 HIS CB C 27 30.201 30.094 0.107 1
1 241 . 19 1 1 A 27 27 HIS N N 27 120.679 118.817 1.862 1
1 242 . 19 1 1 A 28 28 LEU H H 28 6.828 7.941 -1.113 1
1 243 . 19 1 1 A 28 28 LEU HA H 28 3.317 2.639 0.678 1
1 253 . 19 1 1 A 28 28 LEU C C 28 176.993 178.486 -1.493 1
1 254 . 19 1 1 A 28 28 LEU CA C 28 57.560 57.859 -0.299 1
1 255 . 19 1 1 A 28 28 LEU CB C 28 39.868 41.459 -1.591 1
1 259 . 19 1 1 A 28 28 LEU N N 28 121.970 120.457 1.513 1
1 260 . 19 1 1 A 29 29 VAL H H 29 7.609 8.464 -0.855 1
1 261 . 19 1 1 A 29 29 VAL HA H 29 3.462 3.636 -0.174 1
1 269 . 19 1 1 A 29 29 VAL C C 29 179.326 177.825 1.501 1
1 270 . 19 1 1 A 29 29 VAL CA C 29 66.493 66.937 -0.444 1
1 271 . 19 1 1 A 29 29 VAL CB C 29 31.478 31.567 -0.089 1
1 274 . 19 1 1 A 29 29 VAL N N 29 118.483 118.858 -0.375 1
1 275 . 19 1 1 A 30 30 GLN H H 30 7.549 8.076 -0.527 1
1 276 . 19 1 1 A 30 30 GLN HA H 30 4.023 4.025 -0.002 1
1 283 . 19 1 1 A 30 30 GLN C C 30 177.980 178.209 -0.229 1
1 284 . 19 1 1 A 30 30 GLN CA C 30 58.484 58.222 0.262 1
1 285 . 19 1 1 A 30 30 GLN CB C 30 28.527 28.630 -0.103 1
1 287 . 19 1 1 A 30 30 GLN N N 30 117.542 118.277 -0.735 1
1 289 . 19 1 1 A 31 31 HIS H H 31 7.580 7.766 -0.186 1
1 290 . 19 1 1 A 31 31 HIS HA H 31 4.246 4.104 0.142 1
1 295 . 19 1 1 A 31 31 HIS C C 31 175.449 176.732 -1.283 1
1 296 . 19 1 1 A 31 31 HIS CA C 31 58.704 58.218 0.486 1
1 297 . 19 1 1 A 31 31 HIS CB C 31 28.598 29.935 -1.337 1
1 300 . 19 1 1 A 31 31 HIS N N 31 119.448 120.866 -1.418 1
1 301 . 19 1 1 A 32 32 HIS H H 32 7.954 7.764 0.190 1
1 302 . 19 1 1 A 32 32 HIS HA H 32 4.254 4.267 -0.013 1
1 307 . 19 1 1 A 32 32 HIS C C 32 177.828 175.315 2.513 1
1 308 . 19 1 1 A 32 32 HIS CA C 32 59.496 57.986 1.510 1
1 309 . 19 1 1 A 32 32 HIS CB C 32 30.445 29.238 1.207 1
1 312 . 19 1 1 A 32 32 HIS N N 32 116.367 115.707 0.660 1
1 313 . 19 1 1 A 33 33 SER H H 33 7.525 7.810 -0.285 1
1 314 . 19 1 1 A 33 33 SER HA H 33 4.227 4.510 -0.283 1
1 317 . 19 1 1 A 33 33 SER C C 33 176.339 175.100 1.239 1
1 318 . 19 1 1 A 33 33 SER CA C 33 61.325 57.362 3.963 1
1 319 . 19 1 1 A 33 33 SER CB C 33 63.097 63.319 -0.222 1
1 320 . 19 1 1 A 33 33 SER N N 33 113.090 114.160 -1.070 1
1 321 . 19 1 1 A 34 34 VAL H H 34 7.958 7.551 0.407 1
1 322 . 19 1 1 A 34 34 VAL HA H 34 3.890 3.784 0.106 1
1 330 . 19 1 1 A 34 34 VAL C C 34 177.101 177.957 -0.856 1
1 331 . 19 1 1 A 34 34 VAL CA C 34 64.137 65.558 -1.421 1
1 332 . 19 1 1 A 34 34 VAL CB C 34 31.047 31.265 -0.218 1
1 335 . 19 1 1 A 34 34 VAL N N 34 119.960 119.181 0.779 1
1 336 . 19 1 1 A 35 35 HIS H H 35 7.191 7.178 0.013 1
1 337 . 19 1 1 A 35 35 HIS HA H 35 4.945 4.366 0.579 1
1 342 . 19 1 1 A 35 35 HIS C C 35 175.350 176.070 -0.720 1
1 343 . 19 1 1 A 35 35 HIS CA C 35 54.443 58.484 -4.041 1
1 344 . 19 1 1 A 35 35 HIS CB C 35 28.590 31.028 -2.438 1
1 347 . 19 1 1 A 35 35 HIS N N 35 116.514 120.039 -3.525 1
1 348 . 19 1 1 A 36 36 SER H H 36 7.762 7.927 -0.165 1
1 349 . 19 1 1 A 36 36 SER HA H 36 4.393 4.186 0.207 1
1 352 . 19 1 1 A 36 36 SER C C 36 175.126 174.686 0.440 1
1 353 . 19 1 1 A 36 36 SER CA C 36 59.210 60.178 -0.968 1
1 354 . 19 1 1 A 36 36 SER CB C 36 63.861 63.808 0.053 1
1 355 . 19 1 1 A 36 36 SER N N 36 115.134 114.553 0.581 1
1 356 . 19 1 1 A 37 37 GLY H H 37 8.425 8.413 0.012 1
1 357 . 19 1 1 A 37 37 GLY HA2 H 37 3.964 4.163 -0.199 1
1 358 . 19 1 1 A 37 37 GLY HA3 H 37 3.907 4.168 -0.261 1
1 359 . 19 1 1 A 37 37 GLY C C 37 174.055 172.971 1.084 1
1 360 . 19 1 1 A 37 37 GLY CA C 37 45.265 45.583 -0.318 1
1 361 . 19 1 1 A 37 37 GLY N N 37 110.975 110.869 0.106 1
1 362 . 19 1 1 A 38 38 GLU H H 38 8.081 8.682 -0.601 1
1 363 . 19 1 1 A 38 38 GLU HA H 38 4.274 4.193 0.081 1
1 368 . 19 1 1 A 38 38 GLU C C 38 176.219 176.522 -0.303 1
1 369 . 19 1 1 A 38 38 GLU CA C 38 56.377 57.055 -0.678 1
1 370 . 19 1 1 A 38 38 GLU CB C 38 30.527 30.321 0.206 1
1 372 . 19 1 1 A 38 38 GLU N N 38 120.346 126.178 -5.832 1
1 373 . 19 1 1 A 39 39 ARG H H 39 8.425 8.576 -0.151 1
1 374 . 19 1 1 A 39 39 ARG HA H 39 4.625 4.300 0.325 1
1 381 . 19 1 1 A 39 39 ARG C C 39 174.184 176.082 -1.898 1
1 382 . 19 1 1 A 39 39 ARG CA C 39 53.852 54.793 -0.941 1
1 383 . 19 1 1 A 39 39 ARG CB C 39 30.221 29.974 0.247 1
1 386 . 19 1 1 A 39 39 ARG N N 39 123.241 126.940 -3.699 1
1 387 . 19 1 1 A 40 40 PRO HA H 40 4.466 4.542 -0.076 1
1 394 . 19 1 1 A 40 40 PRO CA C 40 63.232 63.999 -0.767 1
1 395 . 19 1 1 A 40 40 PRO CB C 40 32.199 31.928 0.271 1
1 398 . 19 1 1 A 41 41 SER H H 41 8.477 7.773 0.704 1
1 399 . 19 1 1 A 41 41 SER HA H 41 4.465 4.400 0.065 1
1 402 . 19 1 1 A 41 41 SER CA C 41 63.248 57.574 5.674 1
1 403 . 19 1 1 A 41 41 SER CB C 41 63.863 62.578 1.285 1
1 404 . 19 1 1 A 41 41 SER N N 41 116.446 110.548 5.898 1
1 405 . 19 1 1 A 42 42 GLY HA2 H 42 4.150 3.891 0.259 1
1 406 . 19 1 1 A 42 42 GLY HA3 H 42 4.111 3.891 0.220 1
1 407 . 19 1 1 A 42 42 GLY CA C 42 44.694 46.889 -2.195 1
1 408 . 19 1 1 A 43 43 PRO HA H 43 4.466 4.449 0.017 1
1 415 . 19 1 1 A 43 43 PRO CA C 43 63.257 62.928 0.329 1
1 416 . 19 1 1 A 43 43 PRO CB C 43 32.200 31.987 0.213 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 4.033 4.026 0.007 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 4.033 4.032 0.001 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.569 173.130 1.439 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.511 44.691 0.820 1
1 5 . 20 1 1 A 8 8 THR H H 8 8.149 8.462 -0.313 1
1 6 . 20 1 1 A 8 8 THR HA H 8 4.347 4.557 -0.210 1
1 11 . 20 1 1 A 8 8 THR C C 8 175.234 173.378 1.856 1
1 12 . 20 1 1 A 8 8 THR CA C 8 61.859 60.712 1.147 1
1 13 . 20 1 1 A 8 8 THR CB C 8 69.813 69.185 0.628 1
1 15 . 20 1 1 A 8 8 THR N N 8 112.732 115.309 -2.577 1
1 16 . 20 1 1 A 9 9 GLY H H 9 8.453 7.599 0.854 1
1 17 . 20 1 1 A 9 9 GLY HA2 H 9 3.962 4.231 -0.269 1
1 18 . 20 1 1 A 9 9 GLY HA3 H 9 3.910 4.236 -0.326 1
1 19 . 20 1 1 A 9 9 GLY C C 9 174.022 173.385 0.637 1
1 20 . 20 1 1 A 9 9 GLY CA C 9 45.333 44.893 0.440 1
1 21 . 20 1 1 A 9 9 GLY N N 9 110.884 110.318 0.566 1
1 22 . 20 1 1 A 10 10 GLU H H 10 8.181 8.535 -0.354 1
1 23 . 20 1 1 A 10 10 GLU HA H 10 4.169 4.173 -0.004 1
1 28 . 20 1 1 A 10 10 GLU C C 10 176.268 176.336 -0.068 1
1 29 . 20 1 1 A 10 10 GLU CA C 10 56.763 56.587 0.176 1
1 30 . 20 1 1 A 10 10 GLU CB C 10 30.508 29.837 0.671 1
1 32 . 20 1 1 A 10 10 GLU N N 10 120.209 123.427 -3.218 1
1 33 . 20 1 1 A 11 11 LYS H H 11 8.281 8.439 -0.158 1
1 34 . 20 1 1 A 11 11 LYS HA H 11 4.497 4.139 0.358 1
1 43 . 20 1 1 A 11 11 LYS C C 11 174.193 176.851 -2.658 1
1 44 . 20 1 1 A 11 11 LYS CA C 11 53.986 54.914 -0.928 1
1 45 . 20 1 1 A 11 11 LYS CB C 11 33.388 31.867 1.521 1
1 49 . 20 1 1 A 11 11 LYS N N 11 121.517 123.012 -1.495 1
1 50 . 20 1 1 A 12 12 PRO HA H 12 4.228 4.385 -0.157 1
1 57 . 20 1 1 A 12 12 PRO C C 12 176.683 176.034 0.649 1
1 58 . 20 1 1 A 12 12 PRO CA C 12 63.784 64.873 -1.089 1
1 59 . 20 1 1 A 12 12 PRO CB C 12 32.369 31.836 0.533 1
1 62 . 20 1 1 A 13 13 TYR H H 13 7.625 7.350 0.275 1
1 63 . 20 1 1 A 13 13 TYR HA H 13 4.660 4.988 -0.328 1
1 70 . 20 1 1 A 13 13 TYR C C 13 174.316 175.177 -0.861 1
1 71 . 20 1 1 A 13 13 TYR CA C 13 57.467 57.816 -0.349 1
1 72 . 20 1 1 A 13 13 TYR CB C 13 38.002 40.422 -2.420 1
1 77 . 20 1 1 A 13 13 TYR N N 13 118.216 118.830 -0.614 1
1 78 . 20 1 1 A 14 14 LYS H H 14 8.546 8.698 -0.152 1
1 79 . 20 1 1 A 14 14 LYS HA H 14 4.958 4.967 -0.009 1
1 88 . 20 1 1 A 14 14 LYS C C 14 175.292 174.479 0.813 1
1 89 . 20 1 1 A 14 14 LYS CA C 14 55.108 55.908 -0.800 1
1 90 . 20 1 1 A 14 14 LYS CB C 14 35.439 35.763 -0.324 1
1 94 . 20 1 1 A 14 14 LYS N N 14 125.098 122.143 2.955 1
1 95 . 20 1 1 A 15 15 CYS H H 15 9.372 9.129 0.243 1
1 96 . 20 1 1 A 15 15 CYS HA H 15 4.607 4.783 -0.176 1
1 99 . 20 1 1 A 15 15 CYS C C 15 177.767 174.831 2.936 1
1 100 . 20 1 1 A 15 15 CYS CA C 15 59.867 59.567 0.300 1
1 101 . 20 1 1 A 15 15 CYS CB C 15 29.766 28.922 0.844 1
1 102 . 20 1 1 A 15 15 CYS N N 15 127.555 124.078 3.477 1
1 103 . 20 1 1 A 16 16 GLN H H 16 9.804 9.061 0.743 1
1 104 . 20 1 1 A 16 16 GLN HA H 16 4.188 4.698 -0.510 1
1 111 . 20 1 1 A 16 16 GLN C C 16 175.874 177.480 -1.606 1
1 112 . 20 1 1 A 16 16 GLN CA C 16 57.670 56.869 0.801 1
1 113 . 20 1 1 A 16 16 GLN CB C 16 28.775 31.243 -2.468 1
1 115 . 20 1 1 A 16 16 GLN N N 16 131.405 122.776 8.629 1
1 117 . 20 1 1 A 17 17 VAL H H 17 9.009 8.040 0.969 1
1 118 . 20 1 1 A 17 17 VAL HA H 17 3.779 3.847 -0.068 1
1 126 . 20 1 1 A 17 17 VAL C C 17 177.068 177.576 -0.508 1
1 127 . 20 1 1 A 17 17 VAL CA C 17 65.146 64.667 0.479 1
1 128 . 20 1 1 A 17 17 VAL CB C 17 32.795 31.637 1.158 1
1 131 . 20 1 1 A 17 17 VAL N N 17 121.843 117.074 4.769 1
1 132 . 20 1 1 A 18 18 CYS H H 18 8.265 7.928 0.337 1
1 133 . 20 1 1 A 18 18 CYS HA H 18 5.152 4.610 0.542 1
1 136 . 20 1 1 A 18 18 CYS C C 18 176.385 175.893 0.492 1
1 137 . 20 1 1 A 18 18 CYS CA C 18 58.209 59.256 -1.047 1
1 138 . 20 1 1 A 18 18 CYS CB C 18 33.029 30.139 2.890 1
1 139 . 20 1 1 A 18 18 CYS N N 18 116.001 117.308 -1.307 1
1 140 . 20 1 1 A 19 19 GLY H H 19 7.873 8.267 -0.394 1
1 141 . 20 1 1 A 19 19 GLY HA2 H 19 4.264 3.948 0.316 1
1 142 . 20 1 1 A 19 19 GLY HA3 H 19 3.769 3.975 -0.206 1
1 143 . 20 1 1 A 19 19 GLY C C 19 173.353 174.850 -1.497 1
1 144 . 20 1 1 A 19 19 GLY CA C 19 46.218 45.585 0.633 1
1 145 . 20 1 1 A 19 19 GLY N N 19 113.243 110.386 2.857 1
1 146 . 20 1 1 A 20 20 LYS H H 20 8.152 7.544 0.608 1
1 147 . 20 1 1 A 20 20 LYS HA H 20 3.894 4.241 -0.347 1
1 156 . 20 1 1 A 20 20 LYS C C 20 173.528 174.931 -1.403 1
1 157 . 20 1 1 A 20 20 LYS CA C 20 58.349 56.205 2.144 1
1 158 . 20 1 1 A 20 20 LYS CB C 20 33.384 34.046 -0.662 1
1 162 . 20 1 1 A 20 20 LYS N N 20 124.409 120.357 4.052 1
1 163 . 20 1 1 A 21 21 ALA H H 21 7.969 7.769 0.200 1
1 164 . 20 1 1 A 21 21 ALA HA H 21 5.197 5.009 0.188 1
1 168 . 20 1 1 A 21 21 ALA C C 21 175.930 174.859 1.071 1
1 169 . 20 1 1 A 21 21 ALA CA C 21 50.190 51.188 -0.998 1
1 170 . 20 1 1 A 21 21 ALA CB C 21 22.551 22.947 -0.396 1
1 171 . 20 1 1 A 21 21 ALA N N 21 126.194 120.470 5.724 1
1 172 . 20 1 1 A 22 22 PHE H H 22 8.822 8.637 0.185 1
1 173 . 20 1 1 A 22 22 PHE HA H 22 4.845 5.029 -0.184 1
1 181 . 20 1 1 A 22 22 PHE C C 22 175.249 175.861 -0.612 1
1 182 . 20 1 1 A 22 22 PHE CA C 22 57.103 56.379 0.724 1
1 183 . 20 1 1 A 22 22 PHE CB C 22 43.663 41.467 2.196 1
1 189 . 20 1 1 A 22 22 PHE N N 22 116.525 117.543 -1.018 1
1 190 . 20 1 1 A 23 23 ARG H H 23 9.561 8.737 0.824 1
1 191 . 20 1 1 A 23 23 ARG HA H 23 4.491 3.916 0.575 1
1 198 . 20 1 1 A 23 23 ARG C C 23 175.729 175.845 -0.116 1
1 199 . 20 1 1 A 23 23 ARG CA C 23 58.561 58.134 0.427 1
1 200 . 20 1 1 A 23 23 ARG CB C 23 31.997 29.886 2.111 1
1 203 . 20 1 1 A 23 23 ARG N N 23 120.820 123.904 -3.084 1
1 204 . 20 1 1 A 24 24 VAL H H 24 7.327 7.520 -0.193 1
1 205 . 20 1 1 A 24 24 VAL HA H 24 4.446 4.780 -0.334 1
1 213 . 20 1 1 A 24 24 VAL C C 24 176.671 176.151 0.520 1
1 214 . 20 1 1 A 24 24 VAL CA C 24 59.921 59.316 0.605 1
1 215 . 20 1 1 A 24 24 VAL CB C 24 34.347 34.521 -0.174 1
1 218 . 20 1 1 A 24 24 VAL N N 24 112.687 116.388 -3.701 1
1 219 . 20 1 1 A 25 25 SER H H 25 8.506 9.264 -0.758 1
1 220 . 20 1 1 A 25 25 SER HA H 25 2.942 4.080 -1.138 1
1 223 . 20 1 1 A 25 25 SER CA C 25 61.633 61.437 0.196 1
1 224 . 20 1 1 A 25 25 SER CB C 25 61.752 62.483 -0.731 1
1 225 . 20 1 1 A 25 25 SER N N 25 123.315 120.836 2.479 1
1 226 . 20 1 1 A 26 26 SER HA H 26 3.990 4.141 -0.151 1
1 229 . 20 1 1 A 26 26 SER CA C 26 61.102 62.005 -0.903 1
1 230 . 20 1 1 A 26 26 SER CB C 26 61.860 63.053 -1.193 1
1 231 . 20 1 1 A 27 27 HIS H H 27 7.148 8.498 -1.350 1
1 232 . 20 1 1 A 27 27 HIS HA H 27 4.405 4.141 0.264 1
1 237 . 20 1 1 A 27 27 HIS CA C 27 56.698 59.336 -2.638 1
1 238 . 20 1 1 A 27 27 HIS CB C 27 30.201 30.094 0.107 1
1 241 . 20 1 1 A 27 27 HIS N N 27 120.679 118.901 1.778 1
1 242 . 20 1 1 A 28 28 LEU H H 28 6.828 7.472 -0.644 1
1 243 . 20 1 1 A 28 28 LEU HA H 28 3.317 2.116 1.201 1
1 253 . 20 1 1 A 28 28 LEU C C 28 176.993 178.180 -1.187 1
1 254 . 20 1 1 A 28 28 LEU CA C 28 57.560 57.568 -0.008 1
1 255 . 20 1 1 A 28 28 LEU CB C 28 39.868 41.112 -1.244 1
1 259 . 20 1 1 A 28 28 LEU N N 28 121.970 120.221 1.749 1
1 260 . 20 1 1 A 29 29 VAL H H 29 7.609 8.294 -0.685 1
1 261 . 20 1 1 A 29 29 VAL HA H 29 3.462 3.547 -0.085 1
1 269 . 20 1 1 A 29 29 VAL C C 29 179.326 177.473 1.853 1
1 270 . 20 1 1 A 29 29 VAL CA C 29 66.493 67.089 -0.596 1
1 271 . 20 1 1 A 29 29 VAL CB C 29 31.478 31.459 0.019 1
1 274 . 20 1 1 A 29 29 VAL N N 29 118.483 118.859 -0.376 1
1 275 . 20 1 1 A 30 30 GLN H H 30 7.549 8.013 -0.464 1
1 276 . 20 1 1 A 30 30 GLN HA H 30 4.023 4.035 -0.012 1
1 283 . 20 1 1 A 30 30 GLN C C 30 177.980 178.104 -0.124 1
1 284 . 20 1 1 A 30 30 GLN CA C 30 58.484 58.279 0.205 1
1 285 . 20 1 1 A 30 30 GLN CB C 30 28.527 28.741 -0.214 1
1 287 . 20 1 1 A 30 30 GLN N N 30 117.542 118.197 -0.655 1
1 289 . 20 1 1 A 31 31 HIS H H 31 7.580 7.774 -0.194 1
1 290 . 20 1 1 A 31 31 HIS HA H 31 4.246 4.136 0.110 1
1 295 . 20 1 1 A 31 31 HIS C C 31 175.449 176.703 -1.254 1
1 296 . 20 1 1 A 31 31 HIS CA C 31 58.704 57.945 0.759 1
1 297 . 20 1 1 A 31 31 HIS CB C 31 28.598 30.000 -1.402 1
1 300 . 20 1 1 A 31 31 HIS N N 31 119.448 120.773 -1.325 1
1 301 . 20 1 1 A 32 32 HIS H H 32 7.954 7.679 0.275 1
1 302 . 20 1 1 A 32 32 HIS HA H 32 4.254 4.329 -0.075 1
1 307 . 20 1 1 A 32 32 HIS C C 32 177.828 175.370 2.458 1
1 308 . 20 1 1 A 32 32 HIS CA C 32 59.496 57.951 1.545 1
1 309 . 20 1 1 A 32 32 HIS CB C 32 30.445 29.229 1.216 1
1 312 . 20 1 1 A 32 32 HIS N N 32 116.367 115.616 0.751 1
1 313 . 20 1 1 A 33 33 SER H H 33 7.525 7.815 -0.290 1
1 314 . 20 1 1 A 33 33 SER HA H 33 4.227 4.547 -0.320 1
1 317 . 20 1 1 A 33 33 SER C C 33 176.339 175.082 1.257 1
1 318 . 20 1 1 A 33 33 SER CA C 33 61.325 57.342 3.983 1
1 319 . 20 1 1 A 33 33 SER CB C 33 63.097 63.382 -0.285 1
1 320 . 20 1 1 A 33 33 SER N N 33 113.090 114.367 -1.277 1
1 321 . 20 1 1 A 34 34 VAL H H 34 7.958 7.494 0.464 1
1 322 . 20 1 1 A 34 34 VAL HA H 34 3.890 3.775 0.115 1
1 330 . 20 1 1 A 34 34 VAL C C 34 177.101 177.980 -0.879 1
1 331 . 20 1 1 A 34 34 VAL CA C 34 64.137 65.544 -1.407 1
1 332 . 20 1 1 A 34 34 VAL CB C 34 31.047 31.251 -0.204 1
1 335 . 20 1 1 A 34 34 VAL N N 34 119.960 119.146 0.814 1
1 336 . 20 1 1 A 35 35 HIS H H 35 7.191 7.199 -0.008 1
1 337 . 20 1 1 A 35 35 HIS HA H 35 4.945 4.330 0.615 1
1 342 . 20 1 1 A 35 35 HIS C C 35 175.350 175.776 -0.426 1
1 343 . 20 1 1 A 35 35 HIS CA C 35 54.443 58.580 -4.137 1
1 344 . 20 1 1 A 35 35 HIS CB C 35 28.590 30.850 -2.260 1
1 347 . 20 1 1 A 35 35 HIS N N 35 116.514 120.241 -3.727 1
1 348 . 20 1 1 A 36 36 SER H H 36 7.762 7.622 0.140 1
1 349 . 20 1 1 A 36 36 SER HA H 36 4.393 4.422 -0.029 1
1 352 . 20 1 1 A 36 36 SER C C 36 175.126 174.562 0.564 1
1 353 . 20 1 1 A 36 36 SER CA C 36 59.210 58.555 0.655 1
1 354 . 20 1 1 A 36 36 SER CB C 36 63.861 62.684 1.177 1
1 355 . 20 1 1 A 36 36 SER N N 36 115.134 111.056 4.078 1
1 356 . 20 1 1 A 37 37 GLY H H 37 8.425 7.825 0.600 1
1 357 . 20 1 1 A 37 37 GLY HA2 H 37 3.964 4.208 -0.244 1
1 358 . 20 1 1 A 37 37 GLY HA3 H 37 3.907 4.210 -0.303 1
1 359 . 20 1 1 A 37 37 GLY C C 37 174.055 171.664 2.391 1
1 360 . 20 1 1 A 37 37 GLY CA C 37 45.265 46.132 -0.867 1
1 361 . 20 1 1 A 37 37 GLY N N 37 110.975 110.621 0.354 1
1 362 . 20 1 1 A 38 38 GLU H H 38 8.081 8.814 -0.733 1
1 363 . 20 1 1 A 38 38 GLU HA H 38 4.274 5.232 -0.958 1
1 368 . 20 1 1 A 38 38 GLU C C 38 176.219 174.449 1.770 1
1 369 . 20 1 1 A 38 38 GLU CA C 38 56.377 54.400 1.977 1
1 370 . 20 1 1 A 38 38 GLU CB C 38 30.527 33.988 -3.461 1
1 372 . 20 1 1 A 38 38 GLU N N 38 120.346 118.315 2.031 1
1 373 . 20 1 1 A 39 39 ARG H H 39 8.425 8.600 -0.175 1
1 374 . 20 1 1 A 39 39 ARG HA H 39 4.625 4.962 -0.337 1
1 381 . 20 1 1 A 39 39 ARG C C 39 174.184 173.637 0.547 1
1 382 . 20 1 1 A 39 39 ARG CA C 39 53.852 52.745 1.107 1
1 383 . 20 1 1 A 39 39 ARG CB C 39 30.221 33.204 -2.983 1
1 386 . 20 1 1 A 39 39 ARG N N 39 123.241 119.101 4.140 1
1 387 . 20 1 1 A 40 40 PRO HA H 40 4.466 4.796 -0.330 1
1 394 . 20 1 1 A 40 40 PRO CA C 40 63.232 62.883 0.349 1
1 395 . 20 1 1 A 40 40 PRO CB C 40 32.199 31.653 0.546 1
1 398 . 20 1 1 A 41 41 SER H H 41 8.477 8.451 0.026 1
1 399 . 20 1 1 A 41 41 SER HA H 41 4.465 5.039 -0.574 1
1 402 . 20 1 1 A 41 41 SER CA C 41 63.248 57.632 5.616 1
1 403 . 20 1 1 A 41 41 SER CB C 41 63.863 66.116 -2.253 1
1 404 . 20 1 1 A 41 41 SER N N 41 116.446 113.794 2.652 1
1 405 . 20 1 1 A 42 42 GLY HA2 H 42 4.150 4.129 0.021 1
1 406 . 20 1 1 A 42 42 GLY HA3 H 42 4.111 4.129 -0.018 1
1 407 . 20 1 1 A 42 42 GLY CA C 42 44.694 45.128 -0.434 1
1 408 . 20 1 1 A 43 43 PRO HA H 43 4.466 4.667 -0.201 1
1 415 . 20 1 1 A 43 43 PRO CA C 43 63.257 62.748 0.509 1
1 416 . 20 1 1 A 43 43 PRO CB C 43 32.200 31.572 0.628 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 30 1.225 1
2 1 1 1 "RMS(OBS, PRED)" CA 37 1.793 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.523 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.551 1
5 1 1 1 "RMS(OBS, PRED)" HA 42 0.384 1
6 1 1 1 "RMS(OBS, PRED)" N 31 3.471 1
7 1 2 1 "RMS(OBS, PRED)" C 30 1.311 1
8 1 2 1 "RMS(OBS, PRED)" CA 37 1.513 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.453 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.554 1
11 1 2 1 "RMS(OBS, PRED)" HA 42 0.376 1
12 1 2 1 "RMS(OBS, PRED)" N 31 3.236 1
13 1 3 1 "RMS(OBS, PRED)" C 30 1.357 1
14 1 3 1 "RMS(OBS, PRED)" CA 37 1.416 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.693 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.562 1
17 1 3 1 "RMS(OBS, PRED)" HA 42 0.390 1
18 1 3 1 "RMS(OBS, PRED)" N 31 3.385 1
19 1 4 1 "RMS(OBS, PRED)" C 30 1.256 1
20 1 4 1 "RMS(OBS, PRED)" CA 37 1.315 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.430 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.593 1
23 1 4 1 "RMS(OBS, PRED)" HA 42 0.350 1
24 1 4 1 "RMS(OBS, PRED)" N 31 3.199 1
25 1 5 1 "RMS(OBS, PRED)" C 30 1.366 1
26 1 5 1 "RMS(OBS, PRED)" CA 37 1.766 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.362 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.632 1
29 1 5 1 "RMS(OBS, PRED)" HA 42 0.356 1
30 1 5 1 "RMS(OBS, PRED)" N 31 3.398 1
31 1 6 1 "RMS(OBS, PRED)" C 30 1.332 1
32 1 6 1 "RMS(OBS, PRED)" CA 37 1.539 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.426 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.537 1
35 1 6 1 "RMS(OBS, PRED)" HA 42 0.385 1
36 1 6 1 "RMS(OBS, PRED)" N 31 3.136 1
37 1 7 1 "RMS(OBS, PRED)" C 30 1.224 1
38 1 7 1 "RMS(OBS, PRED)" CA 37 1.700 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.245 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.589 1
41 1 7 1 "RMS(OBS, PRED)" HA 42 0.381 1
42 1 7 1 "RMS(OBS, PRED)" N 31 3.030 1
43 1 8 1 "RMS(OBS, PRED)" C 30 1.147 1
44 1 8 1 "RMS(OBS, PRED)" CA 37 1.223 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.310 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.517 1
47 1 8 1 "RMS(OBS, PRED)" HA 42 0.385 1
48 1 8 1 "RMS(OBS, PRED)" N 31 2.929 1
49 1 9 1 "RMS(OBS, PRED)" C 30 1.328 1
50 1 9 1 "RMS(OBS, PRED)" CA 37 1.601 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 1.321 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.573 1
53 1 9 1 "RMS(OBS, PRED)" HA 42 0.395 1
54 1 9 1 "RMS(OBS, PRED)" N 31 3.121 1
55 1 10 1 "RMS(OBS, PRED)" C 30 1.281 1
56 1 10 1 "RMS(OBS, PRED)" CA 37 1.610 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.491 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.523 1
59 1 10 1 "RMS(OBS, PRED)" HA 42 0.416 1
60 1 10 1 "RMS(OBS, PRED)" N 31 3.350 1
61 1 11 1 "RMS(OBS, PRED)" C 30 1.258 1
62 1 11 1 "RMS(OBS, PRED)" CA 37 1.577 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.456 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.553 1
65 1 11 1 "RMS(OBS, PRED)" HA 42 0.376 1
66 1 11 1 "RMS(OBS, PRED)" N 31 3.105 1
67 1 12 1 "RMS(OBS, PRED)" C 30 1.179 1
68 1 12 1 "RMS(OBS, PRED)" CA 37 1.693 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.330 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.549 1
71 1 12 1 "RMS(OBS, PRED)" HA 42 0.401 1
72 1 12 1 "RMS(OBS, PRED)" N 31 3.191 1
73 1 13 1 "RMS(OBS, PRED)" C 30 1.256 1
74 1 13 1 "RMS(OBS, PRED)" CA 37 1.795 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.419 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.603 1
77 1 13 1 "RMS(OBS, PRED)" HA 42 0.387 1
78 1 13 1 "RMS(OBS, PRED)" N 31 3.046 1
79 1 14 1 "RMS(OBS, PRED)" C 30 1.318 1
80 1 14 1 "RMS(OBS, PRED)" CA 37 1.510 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.273 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.542 1
83 1 14 1 "RMS(OBS, PRED)" HA 42 0.376 1
84 1 14 1 "RMS(OBS, PRED)" N 31 3.186 1
85 1 15 1 "RMS(OBS, PRED)" C 30 1.228 1
86 1 15 1 "RMS(OBS, PRED)" CA 37 1.576 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.401 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.563 1
89 1 15 1 "RMS(OBS, PRED)" HA 42 0.364 1
90 1 15 1 "RMS(OBS, PRED)" N 31 3.236 1
91 1 16 1 "RMS(OBS, PRED)" C 30 1.410 1
92 1 16 1 "RMS(OBS, PRED)" CA 37 1.163 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.312 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.497 1
95 1 16 1 "RMS(OBS, PRED)" HA 42 0.384 1
96 1 16 1 "RMS(OBS, PRED)" N 31 3.048 1
97 1 17 1 "RMS(OBS, PRED)" C 30 1.204 1
98 1 17 1 "RMS(OBS, PRED)" CA 37 1.457 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.317 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.621 1
101 1 17 1 "RMS(OBS, PRED)" HA 42 0.382 1
102 1 17 1 "RMS(OBS, PRED)" N 31 3.230 1
103 1 18 1 "RMS(OBS, PRED)" C 30 1.261 1
104 1 18 1 "RMS(OBS, PRED)" CA 37 1.163 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.356 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.505 1
107 1 18 1 "RMS(OBS, PRED)" HA 42 0.378 1
108 1 18 1 "RMS(OBS, PRED)" N 31 3.180 1
109 1 19 1 "RMS(OBS, PRED)" C 30 1.305 1
110 1 19 1 "RMS(OBS, PRED)" CA 37 1.620 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.363 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.594 1
113 1 19 1 "RMS(OBS, PRED)" HA 42 0.331 1
114 1 19 1 "RMS(OBS, PRED)" N 31 3.600 1
115 1 20 1 "RMS(OBS, PRED)" C 30 1.402 1
116 1 20 1 "RMS(OBS, PRED)" CA 37 1.656 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.567 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.545 1
119 1 20 1 "RMS(OBS, PRED)" HA 42 0.408 1
120 1 20 1 "RMS(OBS, PRED)" N 31 3.150 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 HA2 H 7 4.033 4.064 -0.031 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 4.033 4.069 -0.036 2
1 3 . 1 1 A 7 7 GLY C C 7 174.569 174.393 0.175 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.511 45.495 0.016 2
1 5 . 1 1 A 8 8 THR H H 8 8.149 8.379 -0.230 2
1 6 . 1 1 A 8 8 THR HA H 8 4.347 4.213 0.134 2
1 11 . 1 1 A 8 8 THR C C 8 175.234 174.272 0.962 2
1 12 . 1 1 A 8 8 THR CA C 8 61.859 63.265 -1.406 2
1 13 . 1 1 A 8 8 THR CB C 8 69.813 69.039 0.774 2
1 15 . 1 1 A 8 8 THR N N 8 112.732 116.341 -3.609 2
1 16 . 1 1 A 9 9 GLY H H 9 8.453 7.781 0.672 2
1 17 . 1 1 A 9 9 GLY HA2 H 9 3.962 4.039 -0.077 2
1 18 . 1 1 A 9 9 GLY HA3 H 9 3.910 4.044 -0.134 2
1 19 . 1 1 A 9 9 GLY C C 9 174.022 173.137 0.885 2
1 20 . 1 1 A 9 9 GLY CA C 9 45.333 45.165 0.168 2
1 21 . 1 1 A 9 9 GLY N N 9 110.884 109.214 1.670 2
1 22 . 1 1 A 10 10 GLU H H 10 8.181 8.434 -0.253 2
1 23 . 1 1 A 10 10 GLU HA H 10 4.169 4.405 -0.236 2
1 28 . 1 1 A 10 10 GLU C C 10 176.268 176.376 -0.108 2
1 29 . 1 1 A 10 10 GLU CA C 10 56.763 56.205 0.558 2
1 30 . 1 1 A 10 10 GLU CB C 10 30.508 30.283 0.225 2
1 32 . 1 1 A 10 10 GLU N N 10 120.209 121.607 -1.398 2
1 33 . 1 1 A 11 11 LYS H H 11 8.281 8.555 -0.274 2
1 34 . 1 1 A 11 11 LYS HA H 11 4.497 4.285 0.212 2
1 43 . 1 1 A 11 11 LYS C C 11 174.193 176.573 -2.380 2
1 44 . 1 1 A 11 11 LYS CA C 11 53.986 54.479 -0.493 2
1 45 . 1 1 A 11 11 LYS CB C 11 33.388 31.924 1.464 2
1 49 . 1 1 A 11 11 LYS N N 11 121.517 124.015 -2.498 2
1 50 . 1 1 A 12 12 PRO HA H 12 4.228 4.381 -0.153 2
1 57 . 1 1 A 12 12 PRO C C 12 176.683 176.029 0.654 2
1 58 . 1 1 A 12 12 PRO CA C 12 63.784 64.821 -1.037 2
1 59 . 1 1 A 12 12 PRO CB C 12 32.369 31.862 0.507 2
1 62 . 1 1 A 13 13 TYR H H 13 7.625 7.367 0.258 2
1 63 . 1 1 A 13 13 TYR HA H 13 4.660 5.090 -0.430 2
1 70 . 1 1 A 13 13 TYR C C 13 174.316 174.802 -0.486 2
1 71 . 1 1 A 13 13 TYR CA C 13 57.467 57.389 0.078 2
1 72 . 1 1 A 13 13 TYR CB C 13 38.002 40.580 -2.578 2
1 77 . 1 1 A 13 13 TYR N N 13 118.216 118.454 -0.238 2
1 78 . 1 1 A 14 14 LYS H H 14 8.546 8.849 -0.303 2
1 79 . 1 1 A 14 14 LYS HA H 14 4.958 5.185 -0.227 2
1 88 . 1 1 A 14 14 LYS C C 14 175.292 174.584 0.708 2
1 89 . 1 1 A 14 14 LYS CA C 14 55.108 55.369 -0.261 2
1 90 . 1 1 A 14 14 LYS CB C 14 35.439 36.008 -0.569 2
1 94 . 1 1 A 14 14 LYS N N 14 125.098 123.157 1.940 2
1 95 . 1 1 A 15 15 CYS H H 15 9.372 9.339 0.033 2
1 96 . 1 1 A 15 15 CYS HA H 15 4.607 4.751 -0.144 2
1 99 . 1 1 A 15 15 CYS C C 15 177.767 174.796 2.971 2
1 100 . 1 1 A 15 15 CYS CA C 15 59.867 59.508 0.359 2
1 101 . 1 1 A 15 15 CYS CB C 15 29.766 28.931 0.835 2
1 102 . 1 1 A 15 15 CYS N N 15 127.555 124.162 3.393 2
1 103 . 1 1 A 16 16 GLN H H 16 9.804 9.013 0.791 2
1 104 . 1 1 A 16 16 GLN HA H 16 4.188 4.686 -0.498 2
1 111 . 1 1 A 16 16 GLN C C 16 175.874 177.498 -1.624 2
1 112 . 1 1 A 16 16 GLN CA C 16 57.670 56.786 0.884 2
1 113 . 1 1 A 16 16 GLN CB C 16 28.775 31.128 -2.353 2
1 115 . 1 1 A 16 16 GLN N N 16 131.405 122.859 8.546 2
1 117 . 1 1 A 17 17 VAL H H 17 9.009 7.984 1.025 2
1 118 . 1 1 A 17 17 VAL HA H 17 3.779 3.839 -0.060 2
1 126 . 1 1 A 17 17 VAL C C 17 177.068 177.290 -0.222 2
1 127 . 1 1 A 17 17 VAL CA C 17 65.146 64.491 0.655 2
1 128 . 1 1 A 17 17 VAL CB C 17 32.795 31.491 1.304 2
1 131 . 1 1 A 17 17 VAL N N 17 121.843 117.311 4.532 2
1 132 . 1 1 A 18 18 CYS H H 18 8.265 7.905 0.360 2
1 133 . 1 1 A 18 18 CYS HA H 18 5.152 4.638 0.514 2
1 136 . 1 1 A 18 18 CYS C C 18 176.385 175.931 0.454 2
1 137 . 1 1 A 18 18 CYS CA C 18 58.209 59.208 -0.999 2
1 138 . 1 1 A 18 18 CYS CB C 18 33.029 30.313 2.716 2
1 139 . 1 1 A 18 18 CYS N N 18 116.001 117.169 -1.168 2
1 140 . 1 1 A 19 19 GLY H H 19 7.873 8.244 -0.371 2
1 141 . 1 1 A 19 19 GLY HA2 H 19 4.264 3.953 0.311 2
1 142 . 1 1 A 19 19 GLY HA3 H 19 3.769 3.979 -0.210 2
1 143 . 1 1 A 19 19 GLY C C 19 173.353 174.793 -1.440 2
1 144 . 1 1 A 19 19 GLY CA C 19 46.218 45.623 0.595 2
1 145 . 1 1 A 19 19 GLY N N 19 113.243 110.480 2.763 2
1 146 . 1 1 A 20 20 LYS H H 20 8.152 7.523 0.629 2
1 147 . 1 1 A 20 20 LYS HA H 20 3.894 4.240 -0.346 2
1 156 . 1 1 A 20 20 LYS C C 20 173.528 174.959 -1.431 2
1 157 . 1 1 A 20 20 LYS CA C 20 58.349 56.328 2.021 2
1 158 . 1 1 A 20 20 LYS CB C 20 33.384 34.071 -0.687 2
1 162 . 1 1 A 20 20 LYS N N 20 124.409 120.265 4.144 2
1 163 . 1 1 A 21 21 ALA H H 21 7.969 7.816 0.153 2
1 164 . 1 1 A 21 21 ALA HA H 21 5.197 5.207 -0.010 2
1 168 . 1 1 A 21 21 ALA C C 21 175.930 174.838 1.092 2
1 169 . 1 1 A 21 21 ALA CA C 21 50.190 50.975 -0.785 2
1 170 . 1 1 A 21 21 ALA CB C 21 22.551 23.089 -0.538 2
1 171 . 1 1 A 21 21 ALA N N 21 126.194 120.606 5.588 2
1 172 . 1 1 A 22 22 PHE H H 22 8.822 8.753 0.069 2
1 173 . 1 1 A 22 22 PHE HA H 22 4.845 5.024 -0.179 2
1 181 . 1 1 A 22 22 PHE C C 22 175.249 175.762 -0.513 2
1 182 . 1 1 A 22 22 PHE CA C 22 57.103 56.387 0.716 2
1 183 . 1 1 A 22 22 PHE CB C 22 43.663 41.583 2.080 2
1 189 . 1 1 A 22 22 PHE N N 22 116.525 117.467 -0.942 2
1 190 . 1 1 A 23 23 ARG H H 23 9.561 8.683 0.878 2
1 191 . 1 1 A 23 23 ARG HA H 23 4.491 3.956 0.535 2
1 198 . 1 1 A 23 23 ARG C C 23 175.729 175.978 -0.249 2
1 199 . 1 1 A 23 23 ARG CA C 23 58.561 58.375 0.186 2
1 200 . 1 1 A 23 23 ARG CB C 23 31.997 29.885 2.112 2
1 203 . 1 1 A 23 23 ARG N N 23 120.820 123.665 -2.845 2
1 204 . 1 1 A 24 24 VAL H H 24 7.327 7.605 -0.278 2
1 205 . 1 1 A 24 24 VAL HA H 24 4.446 4.732 -0.286 2
1 213 . 1 1 A 24 24 VAL C C 24 176.671 175.904 0.767 2
1 214 . 1 1 A 24 24 VAL CA C 24 59.921 59.470 0.451 2
1 215 . 1 1 A 24 24 VAL CB C 24 34.347 34.341 0.006 2
1 218 . 1 1 A 24 24 VAL N N 24 112.687 116.526 -3.839 2
1 219 . 1 1 A 25 25 SER H H 25 8.506 9.123 -0.617 2
1 220 . 1 1 A 25 25 SER HA H 25 2.942 4.227 -1.285 2
1 223 . 1 1 A 25 25 SER CA C 25 61.633 61.268 0.365 2
1 224 . 1 1 A 25 25 SER CB C 25 61.752 62.813 -1.061 2
1 225 . 1 1 A 25 25 SER N N 25 123.315 119.378 3.937 2
1 226 . 1 1 A 26 26 SER HA H 26 3.990 4.168 -0.178 2
1 229 . 1 1 A 26 26 SER CA C 26 61.102 61.825 -0.723 2
1 230 . 1 1 A 26 26 SER CB C 26 61.860 62.790 -0.930 2
1 231 . 1 1 A 27 27 HIS H H 27 7.148 8.393 -1.245 2
1 232 . 1 1 A 27 27 HIS HA H 27 4.405 4.226 0.179 2
1 237 . 1 1 A 27 27 HIS CA C 27 56.698 59.134 -2.436 2
1 238 . 1 1 A 27 27 HIS CB C 27 30.201 30.064 0.137 2
1 241 . 1 1 A 27 27 HIS N N 27 120.679 118.867 1.812 2
1 242 . 1 1 A 28 28 LEU H H 28 6.828 7.881 -1.053 2
1 243 . 1 1 A 28 28 LEU HA H 28 3.317 2.172 1.145 2
1 253 . 1 1 A 28 28 LEU C C 28 176.993 178.228 -1.235 2
1 254 . 1 1 A 28 28 LEU CA C 28 57.560 57.568 -0.008 2
1 255 . 1 1 A 28 28 LEU CB C 28 39.868 41.370 -1.502 2
1 259 . 1 1 A 28 28 LEU N N 28 121.970 120.192 1.778 2
1 260 . 1 1 A 29 29 VAL H H 29 7.609 8.218 -0.609 2
1 261 . 1 1 A 29 29 VAL HA H 29 3.462 3.598 -0.136 2
1 269 . 1 1 A 29 29 VAL C C 29 179.326 177.785 1.541 2
1 270 . 1 1 A 29 29 VAL CA C 29 66.493 66.867 -0.374 2
1 271 . 1 1 A 29 29 VAL CB C 29 31.478 31.568 -0.090 2
1 274 . 1 1 A 29 29 VAL N N 29 118.483 118.752 -0.269 2
1 275 . 1 1 A 30 30 GLN H H 30 7.549 8.044 -0.495 2
1 276 . 1 1 A 30 30 GLN HA H 30 4.023 4.022 0.001 2
1 283 . 1 1 A 30 30 GLN C C 30 177.980 178.132 -0.152 2
1 284 . 1 1 A 30 30 GLN CA C 30 58.484 58.264 0.220 2
1 285 . 1 1 A 30 30 GLN CB C 30 28.527 28.642 -0.115 2
1 287 . 1 1 A 30 30 GLN N N 30 117.542 118.131 -0.589 2
1 289 . 1 1 A 31 31 HIS H H 31 7.580 7.773 -0.193 2
1 290 . 1 1 A 31 31 HIS HA H 31 4.246 4.133 0.113 2
1 295 . 1 1 A 31 31 HIS C C 31 175.449 176.726 -1.277 2
1 296 . 1 1 A 31 31 HIS CA C 31 58.704 58.136 0.568 2
1 297 . 1 1 A 31 31 HIS CB C 31 28.598 30.002 -1.404 2
1 300 . 1 1 A 31 31 HIS N N 31 119.448 120.863 -1.415 2
1 301 . 1 1 A 32 32 HIS H H 32 7.954 7.858 0.096 2
1 302 . 1 1 A 32 32 HIS HA H 32 4.254 4.315 -0.061 2
1 307 . 1 1 A 32 32 HIS C C 32 177.828 175.790 2.038 2
1 308 . 1 1 A 32 32 HIS CA C 32 59.496 58.091 1.405 2
1 309 . 1 1 A 32 32 HIS CB C 32 30.445 29.285 1.160 2
1 312 . 1 1 A 32 32 HIS N N 32 116.367 115.819 0.548 2
1 313 . 1 1 A 33 33 SER H H 33 7.525 7.698 -0.173 2
1 314 . 1 1 A 33 33 SER HA H 33 4.227 4.557 -0.330 2
1 317 . 1 1 A 33 33 SER C C 33 176.339 175.020 1.319 2
1 318 . 1 1 A 33 33 SER CA C 33 61.325 57.728 3.597 2
1 319 . 1 1 A 33 33 SER CB C 33 63.097 63.694 -0.597 2
1 320 . 1 1 A 33 33 SER N N 33 113.090 112.773 0.317 2
1 321 . 1 1 A 34 34 VAL H H 34 7.958 7.598 0.360 2
1 322 . 1 1 A 34 34 VAL HA H 34 3.890 3.819 0.071 2
1 330 . 1 1 A 34 34 VAL C C 34 177.101 177.163 -0.062 2
1 331 . 1 1 A 34 34 VAL CA C 34 64.137 65.077 -0.940 2
1 332 . 1 1 A 34 34 VAL CB C 34 31.047 31.309 -0.262 2
1 335 . 1 1 A 34 34 VAL N N 34 119.960 119.548 0.412 2
1 336 . 1 1 A 35 35 HIS H H 35 7.191 7.290 -0.099 2
1 337 . 1 1 A 35 35 HIS HA H 35 4.945 4.486 0.459 2
1 342 . 1 1 A 35 35 HIS C C 35 175.350 175.863 -0.513 2
1 343 . 1 1 A 35 35 HIS CA C 35 54.443 57.672 -3.228 2
1 344 . 1 1 A 35 35 HIS CB C 35 28.590 30.129 -1.539 2
1 347 . 1 1 A 35 35 HIS N N 35 116.514 120.221 -3.707 2
1 348 . 1 1 A 36 36 SER H H 36 7.762 7.929 -0.167 2
1 349 . 1 1 A 36 36 SER HA H 36 4.393 4.376 0.017 2
1 352 . 1 1 A 36 36 SER C C 36 175.126 174.839 0.287 2
1 353 . 1 1 A 36 36 SER CA C 36 59.210 59.441 -0.231 2
1 354 . 1 1 A 36 36 SER CB C 36 63.861 63.476 0.385 2
1 355 . 1 1 A 36 36 SER N N 36 115.134 113.554 1.580 2
1 356 . 1 1 A 37 37 GLY H H 37 8.425 8.216 0.209 2
1 357 . 1 1 A 37 37 GLY HA2 H 37 3.964 4.074 -0.110 2
1 358 . 1 1 A 37 37 GLY HA3 H 37 3.907 4.078 -0.171 2
1 359 . 1 1 A 37 37 GLY C C 37 174.055 173.257 0.798 2
1 360 . 1 1 A 37 37 GLY CA C 37 45.265 45.695 -0.430 2
1 361 . 1 1 A 37 37 GLY N N 37 110.975 110.229 0.746 2
1 362 . 1 1 A 38 38 GLU H H 38 8.081 8.475 -0.394 2
1 363 . 1 1 A 38 38 GLU HA H 38 4.274 4.578 -0.304 2
1 368 . 1 1 A 38 38 GLU C C 38 176.219 175.545 0.674 2
1 369 . 1 1 A 38 38 GLU CA C 38 56.377 55.794 0.583 2
1 370 . 1 1 A 38 38 GLU CB C 38 30.527 31.320 -0.793 2
1 372 . 1 1 A 38 38 GLU N N 38 120.346 121.979 -1.633 2
1 373 . 1 1 A 39 39 ARG H H 39 8.425 8.310 0.115 2
1 374 . 1 1 A 39 39 ARG HA H 39 4.625 4.639 -0.014 2
1 381 . 1 1 A 39 39 ARG C C 39 174.184 174.635 -0.451 2
1 382 . 1 1 A 39 39 ARG CA C 39 53.852 53.861 -0.009 2
1 383 . 1 1 A 39 39 ARG CB C 39 30.221 31.478 -1.257 2
1 386 . 1 1 A 39 39 ARG N N 39 123.241 123.067 0.174 2
1 387 . 1 1 A 40 40 PRO HA H 40 4.466 4.612 -0.146 2
1 394 . 1 1 A 40 40 PRO CA C 40 63.232 62.948 0.284 2
1 395 . 1 1 A 40 40 PRO CB C 40 32.199 32.038 0.161 2
1 398 . 1 1 A 41 41 SER H H 41 8.477 8.403 0.074 2
1 399 . 1 1 A 41 41 SER HA H 41 4.465 4.557 -0.092 2
1 402 . 1 1 A 41 41 SER CA C 41 63.248 58.570 4.678 2
1 403 . 1 1 A 41 41 SER CB C 41 63.863 63.946 -0.083 2
1 404 . 1 1 A 41 41 SER N N 41 116.446 116.442 0.004 2
1 405 . 1 1 A 42 42 GLY HA2 H 42 4.150 4.109 0.041 2
1 406 . 1 1 A 42 42 GLY HA3 H 42 4.111 4.109 0.002 2
1 407 . 1 1 A 42 42 GLY CA C 42 44.694 45.587 -0.893 2
1 408 . 1 1 A 43 43 PRO HA H 43 4.466 4.565 -0.099 2
1 415 . 1 1 A 43 43 PRO CA C 43 63.257 63.039 0.218 2
1 416 . 1 1 A 43 43 PRO CB C 43 32.200 32.140 0.060 2
stop_
save_