data_10179_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10179
_Entry.PDB_ID 2EM4
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 8 8 THR CA C 8 61.941 62.345 -0.404 1
1 2 . 1 1 1 A 8 8 THR HA H 8 4.370 4.241 0.129 1
1 3 . 1 1 1 A 8 8 THR CB C 8 69.887 70.334 -0.447 1
1 8 . 1 1 1 A 9 9 GLY CA C 9 45.384 45.595 -0.211 1
1 9 . 1 1 1 A 9 9 GLY HA3 H 9 3.952 4.202 -0.250 1
1 10 . 1 1 1 A 9 9 GLY C C 9 174.059 174.221 -0.162 1
1 11 . 1 1 1 A 9 9 GLY HA2 H 9 3.952 4.200 -0.248 1
1 12 . 1 1 1 A 10 10 GLN N N 10 119.396 123.387 -3.991 1
1 13 . 1 1 1 A 10 10 GLN H H 10 8.197 8.697 -0.500 1
1 14 . 1 1 1 A 10 10 GLN CA C 10 56.099 56.980 -0.881 1
1 15 . 1 1 1 A 10 10 GLN HA H 10 4.254 4.491 -0.237 1
1 16 . 1 1 1 A 10 10 GLN CB C 10 29.534 31.041 -1.507 1
1 23 . 1 1 1 A 10 10 GLN C C 10 175.906 175.141 0.765 1
1 26 . 1 1 1 A 11 11 ARG N N 11 122.290 117.989 4.301 1
1 27 . 1 1 1 A 11 11 ARG H H 11 8.323 7.453 0.870 1
1 28 . 1 1 1 A 11 11 ARG CA C 11 53.699 53.255 0.444 1
1 29 . 1 1 1 A 11 11 ARG HA H 11 4.536 4.666 -0.130 1
1 30 . 1 1 1 A 11 11 ARG CB C 11 30.483 31.396 -0.913 1
1 36 . 1 1 1 A 11 11 ARG C C 11 173.683 175.883 -2.200 1
1 40 . 1 1 1 A 12 12 PRO CA C 12 63.397 64.073 -0.676 1
1 41 . 1 1 1 A 12 12 PRO HA H 12 4.285 4.291 -0.006 1
1 42 . 1 1 1 A 12 12 PRO CB C 12 32.234 31.369 0.865 1
1 48 . 1 1 1 A 12 12 PRO C C 12 176.232 175.791 0.441 1
1 52 . 1 1 1 A 13 13 TYR N N 13 118.384 118.278 0.106 1
1 53 . 1 1 1 A 13 13 TYR H H 13 8.076 7.610 0.466 1
1 54 . 1 1 1 A 13 13 TYR CA C 13 57.335 56.588 0.747 1
1 55 . 1 1 1 A 13 13 TYR HA H 13 4.617 5.228 -0.611 1
1 56 . 1 1 1 A 13 13 TYR CB C 13 38.356 40.079 -1.723 1
1 66 . 1 1 1 A 13 13 TYR C C 13 174.768 174.454 0.314 1
1 68 . 1 1 1 A 14 14 GLU N N 14 123.471 123.842 -0.371 1
1 69 . 1 1 1 A 14 14 GLU H H 14 8.460 8.928 -0.468 1
1 70 . 1 1 1 A 14 14 GLU CA C 14 55.233 54.753 0.480 1
1 71 . 1 1 1 A 14 14 GLU HA H 14 4.925 5.192 -0.267 1
1 72 . 1 1 1 A 14 14 GLU CB C 14 32.790 32.083 0.707 1
1 76 . 1 1 1 A 14 14 GLU C C 14 175.483 175.530 -0.047 1
1 79 . 1 1 1 A 15 15 CYS N N 15 126.570 125.017 1.553 1
1 80 . 1 1 1 A 15 15 CYS H H 15 9.293 9.354 -0.061 1
1 81 . 1 1 1 A 15 15 CYS CA C 15 59.368 60.098 -0.730 1
1 82 . 1 1 1 A 15 15 CYS HA H 15 4.608 4.642 -0.034 1
1 83 . 1 1 1 A 15 15 CYS CB C 15 29.874 28.236 1.638 1
1 85 . 1 1 1 A 15 15 CYS C C 15 177.332 175.201 2.131 1
1 87 . 1 1 1 A 16 16 ILE N N 16 114.361 128.596 -14.235 1
1 88 . 1 1 1 A 16 16 ILE H H 16 8.857 8.919 -0.062 1
1 89 . 1 1 1 A 16 16 ILE CA C 16 63.249 61.612 1.637 1
1 90 . 1 1 1 A 16 16 ILE HA H 16 4.126 4.346 -0.220 1
1 91 . 1 1 1 A 16 16 ILE CB C 16 38.266 39.385 -1.119 1
1 103 . 1 1 1 A 16 16 ILE C C 16 176.261 177.783 -1.522 1
1 105 . 1 1 1 A 17 17 GLU N N 17 122.365 121.195 1.170 1
1 106 . 1 1 1 A 17 17 GLU H H 17 8.639 7.804 0.835 1
1 107 . 1 1 1 A 17 17 GLU CA C 17 59.363 59.551 -0.188 1
1 108 . 1 1 1 A 17 17 GLU HA H 17 4.154 3.956 0.198 1
1 109 . 1 1 1 A 17 17 GLU CB C 17 29.427 29.167 0.260 1
1 113 . 1 1 1 A 17 17 GLU C C 17 177.603 177.956 -0.353 1
1 116 . 1 1 1 A 18 18 CYS N N 18 114.731 114.596 0.135 1
1 117 . 1 1 1 A 18 18 CYS H H 18 7.995 7.417 0.578 1
1 118 . 1 1 1 A 18 18 CYS CA C 18 58.612 59.526 -0.914 1
1 119 . 1 1 1 A 18 18 CYS HA H 18 5.146 4.684 0.462 1
1 120 . 1 1 1 A 18 18 CYS CB C 18 32.458 29.999 2.459 1
1 122 . 1 1 1 A 18 18 CYS C C 18 176.248 175.535 0.713 1
1 124 . 1 1 1 A 19 19 GLY N N 19 113.796 109.905 3.891 1
1 125 . 1 1 1 A 19 19 GLY H H 19 8.397 8.342 0.055 1
1 126 . 1 1 1 A 19 19 GLY CA C 19 46.250 45.745 0.505 1
1 127 . 1 1 1 A 19 19 GLY HA3 H 19 3.882 4.092 -0.210 1
1 128 . 1 1 1 A 19 19 GLY C C 19 173.933 173.892 0.041 1
1 129 . 1 1 1 A 19 19 GLY HA2 H 19 4.222 4.078 0.144 1
1 130 . 1 1 1 A 20 20 LYS N N 20 122.119 120.115 2.004 1
1 131 . 1 1 1 A 20 20 LYS H H 20 7.887 7.709 0.178 1
1 132 . 1 1 1 A 20 20 LYS CA C 20 57.780 54.523 3.257 1
1 133 . 1 1 1 A 20 20 LYS HA H 20 4.046 4.830 -0.784 1
1 134 . 1 1 1 A 20 20 LYS CB C 20 34.226 35.680 -1.454 1
1 142 . 1 1 1 A 20 20 LYS C C 20 173.634 174.018 -0.384 1
1 147 . 1 1 1 A 21 21 ALA N N 21 122.988 126.855 -3.867 1
1 148 . 1 1 1 A 21 21 ALA H H 21 7.852 8.590 -0.738 1
1 149 . 1 1 1 A 21 21 ALA CA C 21 50.531 50.053 0.478 1
1 150 . 1 1 1 A 21 21 ALA HA H 21 5.068 5.489 -0.421 1
1 151 . 1 1 1 A 21 21 ALA CB C 21 21.964 21.824 0.140 1
1 155 . 1 1 1 A 21 21 ALA C C 21 176.493 175.717 0.776 1
1 156 . 1 1 1 A 22 22 PHE N N 22 117.964 119.515 -1.551 1
1 157 . 1 1 1 A 22 22 PHE H H 22 8.646 9.030 -0.384 1
1 158 . 1 1 1 A 22 22 PHE CA C 22 57.636 56.725 0.911 1
1 159 . 1 1 1 A 22 22 PHE HA H 22 4.620 4.915 -0.295 1
1 160 . 1 1 1 A 22 22 PHE CB C 22 43.392 43.095 0.297 1
1 172 . 1 1 1 A 22 22 PHE C C 22 175.473 175.935 -0.462 1
1 174 . 1 1 1 A 23 23 LYS CA C 23 58.582 58.305 0.277 1
1 175 . 1 1 1 A 23 23 LYS HA H 23 4.413 4.363 0.050 1
1 176 . 1 1 1 A 23 23 LYS CB C 23 34.037 33.424 0.613 1
1 184 . 1 1 1 A 23 23 LYS C C 23 176.876 176.440 0.436 1
1 189 . 1 1 1 A 24 24 THR N N 24 119.640 108.622 11.018 1
1 190 . 1 1 1 A 24 24 THR H H 24 7.250 7.758 -0.508 1
1 191 . 1 1 1 A 24 24 THR CA C 24 58.320 59.120 -0.800 1
1 192 . 1 1 1 A 24 24 THR HA H 24 4.696 4.648 0.048 1
1 193 . 1 1 1 A 24 24 THR CB C 24 72.705 71.713 0.992 1
1 199 . 1 1 1 A 24 24 THR C C 24 173.538 174.603 -1.065 1
1 200 . 1 1 1 A 25 25 LYS N N 25 123.935 122.561 1.374 1
1 201 . 1 1 1 A 25 25 LYS H H 25 8.309 8.211 0.098 1
1 202 . 1 1 1 A 25 25 LYS CA C 25 58.948 59.760 -0.812 1
1 203 . 1 1 1 A 25 25 LYS HA H 25 3.190 3.131 0.059 1
1 204 . 1 1 1 A 25 25 LYS CB C 25 31.814 31.676 0.138 1
1 211 . 1 1 1 A 25 25 LYS C C 25 178.575 177.814 0.761 1
1 216 . 1 1 1 A 26 26 SER N N 26 112.737 115.272 -2.535 1
1 217 . 1 1 1 A 26 26 SER H H 26 8.378 8.143 0.235 1
1 218 . 1 1 1 A 26 26 SER CA C 26 61.462 61.514 -0.052 1
1 219 . 1 1 1 A 26 26 SER HA H 26 4.001 4.128 -0.127 1
1 220 . 1 1 1 A 26 26 SER CB C 26 61.997 62.702 -0.705 1
1 222 . 1 1 1 A 26 26 SER C C 26 177.274 176.734 0.540 1
1 224 . 1 1 1 A 27 27 SER N N 27 117.990 116.680 1.310 1
1 225 . 1 1 1 A 27 27 SER H H 27 7.774 7.864 -0.090 1
1 226 . 1 1 1 A 27 27 SER CA C 27 61.787 62.123 -0.336 1
1 227 . 1 1 1 A 27 27 SER HA H 27 4.157 3.954 0.203 1
1 228 . 1 1 1 A 27 27 SER CB C 27 62.739 62.846 -0.107 1
1 230 . 1 1 1 A 27 27 SER C C 27 176.731 175.607 1.124 1
1 232 . 1 1 1 A 28 28 LEU N N 28 125.136 121.933 3.203 1
1 233 . 1 1 1 A 28 28 LEU H H 28 7.236 7.604 -0.368 1
1 234 . 1 1 1 A 28 28 LEU CA C 28 58.242 57.557 0.685 1
1 235 . 1 1 1 A 28 28 LEU HA H 28 3.274 3.292 -0.018 1
1 236 . 1 1 1 A 28 28 LEU CB C 28 40.574 41.544 -0.970 1
1 248 . 1 1 1 A 28 28 LEU C C 28 177.489 178.662 -1.173 1
1 250 . 1 1 1 A 29 29 ILE N N 29 120.340 118.992 1.348 1
1 251 . 1 1 1 A 29 29 ILE H H 29 8.396 8.175 0.221 1
1 252 . 1 1 1 A 29 29 ILE CA C 29 65.377 65.381 -0.004 1
1 253 . 1 1 1 A 29 29 ILE HA H 29 3.486 3.450 0.036 1
1 254 . 1 1 1 A 29 29 ILE CB C 29 37.558 38.291 -0.733 1
1 266 . 1 1 1 A 29 29 ILE C C 29 178.945 177.722 1.223 1
1 268 . 1 1 1 A 30 30 CYS N N 30 117.810 117.599 0.211 1
1 269 . 1 1 1 A 30 30 CYS H H 30 7.813 7.924 -0.111 1
1 270 . 1 1 1 A 30 30 CYS CA C 30 62.779 61.219 1.560 1
1 271 . 1 1 1 A 30 30 CYS HA H 30 3.983 4.193 -0.210 1
1 272 . 1 1 1 A 30 30 CYS CB C 30 26.511 26.952 -0.441 1
1 274 . 1 1 1 A 30 30 CYS C C 30 177.558 176.660 0.898 1
1 276 . 1 1 1 A 31 31 HIS N N 31 119.264 120.880 -1.616 1
1 277 . 1 1 1 A 31 31 HIS H H 31 7.738 7.377 0.361 1
1 278 . 1 1 1 A 31 31 HIS CA C 31 59.109 58.969 0.140 1
1 279 . 1 1 1 A 31 31 HIS HA H 31 4.203 4.109 0.094 1
1 280 . 1 1 1 A 31 31 HIS CB C 31 28.121 30.072 -1.951 1
1 286 . 1 1 1 A 31 31 HIS C C 31 177.945 176.943 1.002 1
1 288 . 1 1 1 A 32 32 ARG N N 32 120.501 117.828 2.673 1
1 289 . 1 1 1 A 32 32 ARG H H 32 8.745 8.418 0.327 1
1 290 . 1 1 1 A 32 32 ARG CA C 32 60.292 60.075 0.217 1
1 291 . 1 1 1 A 32 32 ARG HA H 32 3.640 3.823 -0.183 1
1 292 . 1 1 1 A 32 32 ARG CB C 32 29.469 30.195 -0.726 1
1 298 . 1 1 1 A 32 32 ARG C C 32 178.129 178.128 0.001 1
1 302 . 1 1 1 A 33 33 ARG N N 33 117.976 118.492 -0.516 1
1 303 . 1 1 1 A 33 33 ARG H H 33 7.283 7.964 -0.681 1
1 304 . 1 1 1 A 33 33 ARG CA C 33 58.703 58.810 -0.107 1
1 305 . 1 1 1 A 33 33 ARG HA H 33 4.154 4.080 0.074 1
1 306 . 1 1 1 A 33 33 ARG CB C 33 29.814 30.070 -0.256 1
1 312 . 1 1 1 A 33 33 ARG C C 33 177.957 178.188 -0.231 1
1 316 . 1 1 1 A 34 34 SER N N 34 113.862 114.988 -1.126 1
1 317 . 1 1 1 A 34 34 SER H H 34 7.841 7.494 0.347 1
1 318 . 1 1 1 A 34 34 SER CA C 34 60.492 61.633 -1.141 1
1 319 . 1 1 1 A 34 34 SER HA H 34 4.210 4.081 0.129 1
1 320 . 1 1 1 A 34 34 SER CB C 34 63.284 62.900 0.384 1
1 322 . 1 1 1 A 34 34 SER C C 34 175.028 177.139 -2.111 1
1 324 . 1 1 1 A 35 35 HIS N N 35 119.288 119.593 -0.305 1
1 325 . 1 1 1 A 35 35 HIS H H 35 7.313 7.485 -0.172 1
1 326 . 1 1 1 A 35 35 HIS CA C 35 55.647 59.146 -3.499 1
1 327 . 1 1 1 A 35 35 HIS HA H 35 4.865 4.315 0.550 1
1 328 . 1 1 1 A 35 35 HIS CB C 35 28.882 29.849 -0.967 1
1 334 . 1 1 1 A 35 35 HIS C C 35 175.603 175.869 -0.266 1
1 336 . 1 1 1 A 36 36 THR N N 36 112.427 111.378 1.049 1
1 337 . 1 1 1 A 36 36 THR H H 36 7.846 7.295 0.551 1
1 338 . 1 1 1 A 36 36 THR CA C 36 62.411 61.962 0.449 1
1 339 . 1 1 1 A 36 36 THR HA H 36 4.372 4.299 0.073 1
1 340 . 1 1 1 A 36 36 THR CB C 36 69.891 70.057 -0.166 1
1 346 . 1 1 1 A 36 36 THR C C 36 175.363 174.386 0.977 1
1 347 . 1 1 1 A 37 37 GLY N N 37 110.984 109.386 1.598 1
1 348 . 1 1 1 A 37 37 GLY H H 37 8.339 8.287 0.052 1
1 349 . 1 1 1 A 37 37 GLY CA C 37 45.387 46.229 -0.842 1
1 350 . 1 1 1 A 37 37 GLY HA3 H 37 3.971 4.186 -0.215 1
1 351 . 1 1 1 A 37 37 GLY C C 37 174.048 172.064 1.984 1
1 352 . 1 1 1 A 37 37 GLY HA2 H 37 3.971 4.186 -0.215 1
1 353 . 1 1 1 A 38 38 GLU N N 38 120.632 125.514 -4.882 1
1 354 . 1 1 1 A 38 38 GLU H H 38 8.114 8.407 -0.293 1
1 355 . 1 1 1 A 38 38 GLU CA C 38 56.455 55.797 0.658 1
1 356 . 1 1 1 A 38 38 GLU HA H 38 4.249 4.473 -0.224 1
1 357 . 1 1 1 A 38 38 GLU CB C 38 30.579 28.257 2.322 1
1 361 . 1 1 1 A 38 38 GLU C C 38 176.214 174.893 1.321 1
1 364 . 1 1 1 A 39 39 LYS N N 39 123.848 122.461 1.387 1
1 365 . 1 1 1 A 39 39 LYS H H 39 8.429 8.106 0.323 1
1 366 . 1 1 1 A 39 39 LYS CA C 39 54.125 54.993 -0.868 1
1 367 . 1 1 1 A 39 39 LYS HA H 39 4.610 4.789 -0.179 1
1 368 . 1 1 1 A 39 39 LYS CB C 39 32.513 34.720 -2.207 1
1 376 . 1 1 1 A 39 39 LYS C C 39 174.488 173.267 1.221 1
1 381 . 1 1 1 A 40 40 PRO CA C 40 63.239 62.877 0.362 1
1 382 . 1 1 1 A 40 40 PRO HA H 40 4.464 4.687 -0.223 1
1 383 . 1 1 1 A 40 40 PRO CB C 40 32.143 31.829 0.314 1
1 392 . 1 1 1 A 43 43 PRO CA C 43 63.278 62.851 0.427 1
1 393 . 1 1 1 A 43 43 PRO HA H 43 4.481 4.615 -0.134 1
1 394 . 1 1 1 A 43 43 PRO CB C 43 32.178 31.614 0.564 1
1 403 . 1 1 1 A 45 45 SER CA C 45 58.395 56.627 1.768 1
1 404 . 1 1 1 A 45 45 SER HA H 45 4.459 5.305 -0.846 1
1 405 . 1 1 1 A 45 45 SER CB C 45 64.014 66.208 -2.194 1
1 407 . 1 1 1 A 45 45 SER C C 45 173.893 173.344 0.549 1
1 1 . 2 1 1 A 8 8 THR CA C 8 61.941 61.300 0.641 1
1 2 . 2 1 1 A 8 8 THR HA H 8 4.370 4.440 -0.070 1
1 3 . 2 1 1 A 8 8 THR CB C 8 69.887 68.900 0.987 1
1 8 . 2 1 1 A 9 9 GLY CA C 9 45.384 44.525 0.859 1
1 9 . 2 1 1 A 9 9 GLY HA3 H 9 3.952 4.104 -0.152 1
1 10 . 2 1 1 A 9 9 GLY C C 9 174.059 173.737 0.322 1
1 11 . 2 1 1 A 9 9 GLY HA2 H 9 3.952 4.100 -0.148 1
1 12 . 2 1 1 A 10 10 GLN N N 10 119.396 116.994 2.402 1
1 13 . 2 1 1 A 10 10 GLN H H 10 8.197 8.683 -0.486 1
1 14 . 2 1 1 A 10 10 GLN CA C 10 56.099 56.667 -0.568 1
1 15 . 2 1 1 A 10 10 GLN HA H 10 4.254 3.801 0.453 1
1 16 . 2 1 1 A 10 10 GLN CB C 10 29.534 26.812 2.722 1
1 23 . 2 1 1 A 10 10 GLN C C 10 175.906 175.103 0.803 1
1 26 . 2 1 1 A 11 11 ARG N N 11 122.290 119.739 2.551 1
1 27 . 2 1 1 A 11 11 ARG H H 11 8.323 8.035 0.288 1
1 28 . 2 1 1 A 11 11 ARG CA C 11 53.699 54.087 -0.388 1
1 29 . 2 1 1 A 11 11 ARG HA H 11 4.536 4.505 0.031 1
1 30 . 2 1 1 A 11 11 ARG CB C 11 30.483 29.587 0.896 1
1 36 . 2 1 1 A 11 11 ARG C C 11 173.683 175.708 -2.025 1
1 40 . 2 1 1 A 12 12 PRO CA C 12 63.397 63.889 -0.492 1
1 41 . 2 1 1 A 12 12 PRO HA H 12 4.285 4.282 0.003 1
1 42 . 2 1 1 A 12 12 PRO CB C 12 32.234 31.149 1.085 1
1 48 . 2 1 1 A 12 12 PRO C C 12 176.232 175.699 0.533 1
1 52 . 2 1 1 A 13 13 TYR N N 13 118.384 118.360 0.024 1
1 53 . 2 1 1 A 13 13 TYR H H 13 8.076 7.466 0.610 1
1 54 . 2 1 1 A 13 13 TYR CA C 13 57.335 56.619 0.716 1
1 55 . 2 1 1 A 13 13 TYR HA H 13 4.617 5.181 -0.564 1
1 56 . 2 1 1 A 13 13 TYR CB C 13 38.356 40.254 -1.898 1
1 66 . 2 1 1 A 13 13 TYR C C 13 174.768 174.472 0.296 1
1 68 . 2 1 1 A 14 14 GLU N N 14 123.471 123.924 -0.453 1
1 69 . 2 1 1 A 14 14 GLU H H 14 8.460 8.840 -0.380 1
1 70 . 2 1 1 A 14 14 GLU CA C 14 55.233 54.621 0.612 1
1 71 . 2 1 1 A 14 14 GLU HA H 14 4.925 5.373 -0.448 1
1 72 . 2 1 1 A 14 14 GLU CB C 14 32.790 33.732 -0.942 1
1 76 . 2 1 1 A 14 14 GLU C C 14 175.483 174.969 0.514 1
1 79 . 2 1 1 A 15 15 CYS N N 15 126.570 122.181 4.389 1
1 80 . 2 1 1 A 15 15 CYS H H 15 9.293 9.136 0.157 1
1 81 . 2 1 1 A 15 15 CYS CA C 15 59.368 58.127 1.241 1
1 82 . 2 1 1 A 15 15 CYS HA H 15 4.608 4.896 -0.288 1
1 83 . 2 1 1 A 15 15 CYS CB C 15 29.874 29.626 0.248 1
1 85 . 2 1 1 A 15 15 CYS C C 15 177.332 174.666 2.666 1
1 87 . 2 1 1 A 16 16 ILE N N 16 114.361 128.699 -14.338 1
1 88 . 2 1 1 A 16 16 ILE H H 16 8.857 8.430 0.427 1
1 89 . 2 1 1 A 16 16 ILE CA C 16 63.249 63.130 0.119 1
1 90 . 2 1 1 A 16 16 ILE HA H 16 4.126 4.169 -0.043 1
1 91 . 2 1 1 A 16 16 ILE CB C 16 38.266 38.034 0.232 1
1 103 . 2 1 1 A 16 16 ILE C C 16 176.261 177.608 -1.347 1
1 105 . 2 1 1 A 17 17 GLU N N 17 122.365 119.575 2.790 1
1 106 . 2 1 1 A 17 17 GLU H H 17 8.639 8.338 0.301 1
1 107 . 2 1 1 A 17 17 GLU CA C 17 59.363 59.302 0.061 1
1 108 . 2 1 1 A 17 17 GLU HA H 17 4.154 3.967 0.187 1
1 109 . 2 1 1 A 17 17 GLU CB C 17 29.427 29.105 0.322 1
1 113 . 2 1 1 A 17 17 GLU C C 17 177.603 178.498 -0.895 1
1 116 . 2 1 1 A 18 18 CYS N N 18 114.731 114.881 -0.150 1
1 117 . 2 1 1 A 18 18 CYS H H 18 7.995 7.374 0.621 1
1 118 . 2 1 1 A 18 18 CYS CA C 18 58.612 59.840 -1.228 1
1 119 . 2 1 1 A 18 18 CYS HA H 18 5.146 4.514 0.632 1
1 120 . 2 1 1 A 18 18 CYS CB C 18 32.458 29.465 2.993 1
1 122 . 2 1 1 A 18 18 CYS C C 18 176.248 175.533 0.715 1
1 124 . 2 1 1 A 19 19 GLY N N 19 113.796 109.602 4.194 1
1 125 . 2 1 1 A 19 19 GLY H H 19 8.397 8.587 -0.190 1
1 126 . 2 1 1 A 19 19 GLY CA C 19 46.250 46.152 0.098 1
1 127 . 2 1 1 A 19 19 GLY HA3 H 19 3.882 4.036 -0.154 1
1 128 . 2 1 1 A 19 19 GLY C C 19 173.933 173.698 0.235 1
1 129 . 2 1 1 A 19 19 GLY HA2 H 19 4.222 4.009 0.213 1
1 130 . 2 1 1 A 20 20 LYS N N 20 122.119 121.519 0.600 1
1 131 . 2 1 1 A 20 20 LYS H H 20 7.887 7.942 -0.055 1
1 132 . 2 1 1 A 20 20 LYS CA C 20 57.780 54.819 2.961 1
1 133 . 2 1 1 A 20 20 LYS HA H 20 4.046 4.902 -0.856 1
1 134 . 2 1 1 A 20 20 LYS CB C 20 34.226 35.301 -1.075 1
1 142 . 2 1 1 A 20 20 LYS C C 20 173.634 174.226 -0.592 1
1 147 . 2 1 1 A 21 21 ALA N N 21 122.988 123.734 -0.746 1
1 148 . 2 1 1 A 21 21 ALA H H 21 7.852 8.651 -0.799 1
1 149 . 2 1 1 A 21 21 ALA CA C 21 50.531 50.742 -0.211 1
1 150 . 2 1 1 A 21 21 ALA HA H 21 5.068 5.267 -0.199 1
1 151 . 2 1 1 A 21 21 ALA CB C 21 21.964 22.056 -0.092 1
1 155 . 2 1 1 A 21 21 ALA C C 21 176.493 175.411 1.082 1
1 156 . 2 1 1 A 22 22 PHE N N 22 117.964 120.359 -2.395 1
1 157 . 2 1 1 A 22 22 PHE H H 22 8.646 9.327 -0.681 1
1 158 . 2 1 1 A 22 22 PHE CA C 22 57.636 56.263 1.373 1
1 159 . 2 1 1 A 22 22 PHE HA H 22 4.620 4.997 -0.377 1
1 160 . 2 1 1 A 22 22 PHE CB C 22 43.392 42.483 0.909 1
1 172 . 2 1 1 A 22 22 PHE C C 22 175.473 176.398 -0.925 1
1 174 . 2 1 1 A 23 23 LYS CA C 23 58.582 58.941 -0.359 1
1 175 . 2 1 1 A 23 23 LYS HA H 23 4.413 4.253 0.160 1
1 176 . 2 1 1 A 23 23 LYS CB C 23 34.037 32.381 1.656 1
1 184 . 2 1 1 A 23 23 LYS C C 23 176.876 176.729 0.147 1
1 189 . 2 1 1 A 24 24 THR N N 24 119.640 110.251 9.389 1
1 190 . 2 1 1 A 24 24 THR H H 24 7.250 7.816 -0.566 1
1 191 . 2 1 1 A 24 24 THR CA C 24 58.320 59.245 -0.925 1
1 192 . 2 1 1 A 24 24 THR HA H 24 4.696 4.729 -0.033 1
1 193 . 2 1 1 A 24 24 THR CB C 24 72.705 71.750 0.955 1
1 199 . 2 1 1 A 24 24 THR C C 24 173.538 174.775 -1.237 1
1 200 . 2 1 1 A 25 25 LYS N N 25 123.935 122.727 1.208 1
1 201 . 2 1 1 A 25 25 LYS H H 25 8.309 8.286 0.023 1
1 202 . 2 1 1 A 25 25 LYS CA C 25 58.948 59.789 -0.841 1
1 203 . 2 1 1 A 25 25 LYS HA H 25 3.190 3.355 -0.165 1
1 204 . 2 1 1 A 25 25 LYS CB C 25 31.814 31.744 0.070 1
1 211 . 2 1 1 A 25 25 LYS C C 25 178.575 178.010 0.565 1
1 216 . 2 1 1 A 26 26 SER N N 26 112.737 115.994 -3.257 1
1 217 . 2 1 1 A 26 26 SER H H 26 8.378 8.042 0.336 1
1 218 . 2 1 1 A 26 26 SER CA C 26 61.462 62.035 -0.573 1
1 219 . 2 1 1 A 26 26 SER HA H 26 4.001 4.027 -0.026 1
1 220 . 2 1 1 A 26 26 SER CB C 26 61.997 62.414 -0.417 1
1 222 . 2 1 1 A 26 26 SER C C 26 177.274 176.236 1.038 1
1 224 . 2 1 1 A 27 27 SER N N 27 117.990 115.600 2.390 1
1 225 . 2 1 1 A 27 27 SER H H 27 7.774 8.105 -0.331 1
1 226 . 2 1 1 A 27 27 SER CA C 27 61.787 61.753 0.034 1
1 227 . 2 1 1 A 27 27 SER HA H 27 4.157 4.049 0.108 1
1 228 . 2 1 1 A 27 27 SER CB C 27 62.739 63.131 -0.392 1
1 230 . 2 1 1 A 27 27 SER C C 27 176.731 177.046 -0.315 1
1 232 . 2 1 1 A 28 28 LEU N N 28 125.136 121.338 3.798 1
1 233 . 2 1 1 A 28 28 LEU H H 28 7.236 7.529 -0.293 1
1 234 . 2 1 1 A 28 28 LEU CA C 28 58.242 57.444 0.798 1
1 235 . 2 1 1 A 28 28 LEU HA H 28 3.274 2.507 0.767 1
1 236 . 2 1 1 A 28 28 LEU CB C 28 40.574 40.869 -0.295 1
1 248 . 2 1 1 A 28 28 LEU C C 28 177.489 178.339 -0.850 1
1 250 . 2 1 1 A 29 29 ILE N N 29 120.340 119.399 0.941 1
1 251 . 2 1 1 A 29 29 ILE H H 29 8.396 8.106 0.290 1
1 252 . 2 1 1 A 29 29 ILE CA C 29 65.377 65.327 0.050 1
1 253 . 2 1 1 A 29 29 ILE HA H 29 3.486 3.440 0.046 1
1 254 . 2 1 1 A 29 29 ILE CB C 29 37.558 37.475 0.083 1
1 266 . 2 1 1 A 29 29 ILE C C 29 178.945 177.820 1.125 1
1 268 . 2 1 1 A 30 30 CYS N N 30 117.810 117.914 -0.104 1
1 269 . 2 1 1 A 30 30 CYS H H 30 7.813 8.012 -0.199 1
1 270 . 2 1 1 A 30 30 CYS CA C 30 62.779 62.185 0.594 1
1 271 . 2 1 1 A 30 30 CYS HA H 30 3.983 4.178 -0.195 1
1 272 . 2 1 1 A 30 30 CYS CB C 30 26.511 26.939 -0.428 1
1 274 . 2 1 1 A 30 30 CYS C C 30 177.558 176.810 0.748 1
1 276 . 2 1 1 A 31 31 HIS N N 31 119.264 120.597 -1.333 1
1 277 . 2 1 1 A 31 31 HIS H H 31 7.738 7.827 -0.089 1
1 278 . 2 1 1 A 31 31 HIS CA C 31 59.109 58.540 0.569 1
1 279 . 2 1 1 A 31 31 HIS HA H 31 4.203 4.111 0.092 1
1 280 . 2 1 1 A 31 31 HIS CB C 31 28.121 30.125 -2.004 1
1 286 . 2 1 1 A 31 31 HIS C C 31 177.945 177.047 0.898 1
1 288 . 2 1 1 A 32 32 ARG N N 32 120.501 118.887 1.614 1
1 289 . 2 1 1 A 32 32 ARG H H 32 8.745 8.264 0.481 1
1 290 . 2 1 1 A 32 32 ARG CA C 32 60.292 59.449 0.843 1
1 291 . 2 1 1 A 32 32 ARG HA H 32 3.640 3.849 -0.209 1
1 292 . 2 1 1 A 32 32 ARG CB C 32 29.469 30.070 -0.601 1
1 298 . 2 1 1 A 32 32 ARG C C 32 178.129 178.732 -0.603 1
1 302 . 2 1 1 A 33 33 ARG N N 33 117.976 118.654 -0.678 1
1 303 . 2 1 1 A 33 33 ARG H H 33 7.283 7.937 -0.654 1
1 304 . 2 1 1 A 33 33 ARG CA C 33 58.703 58.543 0.160 1
1 305 . 2 1 1 A 33 33 ARG HA H 33 4.154 4.124 0.030 1
1 306 . 2 1 1 A 33 33 ARG CB C 33 29.814 29.754 0.060 1
1 312 . 2 1 1 A 33 33 ARG C C 33 177.957 178.474 -0.517 1
1 316 . 2 1 1 A 34 34 SER N N 34 113.862 115.538 -1.676 1
1 317 . 2 1 1 A 34 34 SER H H 34 7.841 7.702 0.139 1
1 318 . 2 1 1 A 34 34 SER CA C 34 60.492 60.696 -0.204 1
1 319 . 2 1 1 A 34 34 SER HA H 34 4.210 4.201 0.009 1
1 320 . 2 1 1 A 34 34 SER CB C 34 63.284 62.949 0.335 1
1 322 . 2 1 1 A 34 34 SER C C 34 175.028 177.047 -2.019 1
1 324 . 2 1 1 A 35 35 HIS N N 35 119.288 118.358 0.930 1
1 325 . 2 1 1 A 35 35 HIS H H 35 7.313 7.173 0.140 1
1 326 . 2 1 1 A 35 35 HIS CA C 35 55.647 58.627 -2.980 1
1 327 . 2 1 1 A 35 35 HIS HA H 35 4.865 4.247 0.618 1
1 328 . 2 1 1 A 35 35 HIS CB C 35 28.882 29.814 -0.932 1
1 334 . 2 1 1 A 35 35 HIS C C 35 175.603 176.313 -0.710 1
1 336 . 2 1 1 A 36 36 THR N N 36 112.427 111.446 0.981 1
1 337 . 2 1 1 A 36 36 THR H H 36 7.846 7.939 -0.093 1
1 338 . 2 1 1 A 36 36 THR CA C 36 62.411 63.154 -0.743 1
1 339 . 2 1 1 A 36 36 THR HA H 36 4.372 4.077 0.295 1
1 340 . 2 1 1 A 36 36 THR CB C 36 69.891 69.266 0.625 1
1 346 . 2 1 1 A 36 36 THR C C 36 175.363 174.128 1.235 1
1 347 . 2 1 1 A 37 37 GLY N N 37 110.984 113.689 -2.705 1
1 348 . 2 1 1 A 37 37 GLY H H 37 8.339 8.274 0.065 1
1 349 . 2 1 1 A 37 37 GLY CA C 37 45.387 46.145 -0.758 1
1 350 . 2 1 1 A 37 37 GLY HA3 H 37 3.971 4.255 -0.284 1
1 351 . 2 1 1 A 37 37 GLY C C 37 174.048 172.283 1.765 1
1 352 . 2 1 1 A 37 37 GLY HA2 H 37 3.971 4.255 -0.284 1
1 353 . 2 1 1 A 38 38 GLU N N 38 120.632 123.977 -3.345 1
1 354 . 2 1 1 A 38 38 GLU H H 38 8.114 8.597 -0.483 1
1 355 . 2 1 1 A 38 38 GLU CA C 38 56.455 55.573 0.882 1
1 356 . 2 1 1 A 38 38 GLU HA H 38 4.249 4.718 -0.469 1
1 357 . 2 1 1 A 38 38 GLU CB C 38 30.579 30.467 0.112 1
1 361 . 2 1 1 A 38 38 GLU C C 38 176.214 174.909 1.305 1
1 364 . 2 1 1 A 39 39 LYS N N 39 123.848 120.048 3.800 1
1 365 . 2 1 1 A 39 39 LYS H H 39 8.429 8.463 -0.034 1
1 366 . 2 1 1 A 39 39 LYS CA C 39 54.125 54.556 -0.431 1
1 367 . 2 1 1 A 39 39 LYS HA H 39 4.610 4.876 -0.266 1
1 368 . 2 1 1 A 39 39 LYS CB C 39 32.513 34.921 -2.408 1
1 376 . 2 1 1 A 39 39 LYS C C 39 174.488 173.301 1.187 1
1 381 . 2 1 1 A 40 40 PRO CA C 40 63.239 62.876 0.363 1
1 382 . 2 1 1 A 40 40 PRO HA H 40 4.464 4.548 -0.084 1
1 383 . 2 1 1 A 40 40 PRO CB C 40 32.143 32.367 -0.224 1
1 392 . 2 1 1 A 43 43 PRO CA C 43 63.278 62.693 0.585 1
1 393 . 2 1 1 A 43 43 PRO HA H 43 4.481 4.594 -0.113 1
1 394 . 2 1 1 A 43 43 PRO CB C 43 32.178 31.709 0.469 1
1 403 . 2 1 1 A 45 45 SER CA C 45 58.395 59.417 -1.022 1
1 404 . 2 1 1 A 45 45 SER HA H 45 4.459 4.228 0.231 1
1 405 . 2 1 1 A 45 45 SER CB C 45 64.014 63.578 0.436 1
1 407 . 2 1 1 A 45 45 SER C C 45 173.893 175.844 -1.951 1
1 1 . 3 1 1 A 8 8 THR CA C 8 61.941 63.293 -1.352 1
1 2 . 3 1 1 A 8 8 THR HA H 8 4.370 4.316 0.054 1
1 3 . 3 1 1 A 8 8 THR CB C 8 69.887 69.911 -0.024 1
1 8 . 3 1 1 A 9 9 GLY CA C 9 45.384 44.920 0.464 1
1 9 . 3 1 1 A 9 9 GLY HA3 H 9 3.952 4.039 -0.087 1
1 10 . 3 1 1 A 9 9 GLY C C 9 174.059 173.434 0.625 1
1 11 . 3 1 1 A 9 9 GLY HA2 H 9 3.952 4.038 -0.086 1
1 12 . 3 1 1 A 10 10 GLN N N 10 119.396 118.083 1.313 1
1 13 . 3 1 1 A 10 10 GLN H H 10 8.197 8.209 -0.012 1
1 14 . 3 1 1 A 10 10 GLN CA C 10 56.099 55.667 0.432 1
1 15 . 3 1 1 A 10 10 GLN HA H 10 4.254 4.458 -0.204 1
1 16 . 3 1 1 A 10 10 GLN CB C 10 29.534 29.680 -0.146 1
1 23 . 3 1 1 A 10 10 GLN C C 10 175.906 175.093 0.813 1
1 26 . 3 1 1 A 11 11 ARG N N 11 122.290 120.744 1.546 1
1 27 . 3 1 1 A 11 11 ARG H H 11 8.323 8.353 -0.030 1
1 28 . 3 1 1 A 11 11 ARG CA C 11 53.699 52.545 1.154 1
1 29 . 3 1 1 A 11 11 ARG HA H 11 4.536 4.764 -0.228 1
1 30 . 3 1 1 A 11 11 ARG CB C 11 30.483 31.319 -0.836 1
1 36 . 3 1 1 A 11 11 ARG C C 11 173.683 175.685 -2.002 1
1 40 . 3 1 1 A 12 12 PRO CA C 12 63.397 63.879 -0.482 1
1 41 . 3 1 1 A 12 12 PRO HA H 12 4.285 4.310 -0.025 1
1 42 . 3 1 1 A 12 12 PRO CB C 12 32.234 31.159 1.075 1
1 48 . 3 1 1 A 12 12 PRO C C 12 176.232 175.638 0.594 1
1 52 . 3 1 1 A 13 13 TYR N N 13 118.384 118.522 -0.138 1
1 53 . 3 1 1 A 13 13 TYR H H 13 8.076 7.301 0.775 1
1 54 . 3 1 1 A 13 13 TYR CA C 13 57.335 56.839 0.496 1
1 55 . 3 1 1 A 13 13 TYR HA H 13 4.617 5.319 -0.702 1
1 56 . 3 1 1 A 13 13 TYR CB C 13 38.356 41.525 -3.169 1
1 66 . 3 1 1 A 13 13 TYR C C 13 174.768 175.256 -0.488 1
1 68 . 3 1 1 A 14 14 GLU N N 14 123.471 122.711 0.760 1
1 69 . 3 1 1 A 14 14 GLU H H 14 8.460 8.943 -0.483 1
1 70 . 3 1 1 A 14 14 GLU CA C 14 55.233 54.906 0.327 1
1 71 . 3 1 1 A 14 14 GLU HA H 14 4.925 5.464 -0.539 1
1 72 . 3 1 1 A 14 14 GLU CB C 14 32.790 33.618 -0.828 1
1 76 . 3 1 1 A 14 14 GLU C C 14 175.483 175.321 0.162 1
1 79 . 3 1 1 A 15 15 CYS N N 15 126.570 123.322 3.248 1
1 80 . 3 1 1 A 15 15 CYS H H 15 9.293 9.336 -0.043 1
1 81 . 3 1 1 A 15 15 CYS CA C 15 59.368 58.244 1.124 1
1 82 . 3 1 1 A 15 15 CYS HA H 15 4.608 4.633 -0.025 1
1 83 . 3 1 1 A 15 15 CYS CB C 15 29.874 27.348 2.526 1
1 85 . 3 1 1 A 15 15 CYS C C 15 177.332 175.334 1.998 1
1 87 . 3 1 1 A 16 16 ILE N N 16 114.361 126.329 -11.968 1
1 88 . 3 1 1 A 16 16 ILE H H 16 8.857 8.020 0.837 1
1 89 . 3 1 1 A 16 16 ILE CA C 16 63.249 64.679 -1.430 1
1 90 . 3 1 1 A 16 16 ILE HA H 16 4.126 3.766 0.360 1
1 91 . 3 1 1 A 16 16 ILE CB C 16 38.266 37.323 0.943 1
1 103 . 3 1 1 A 16 16 ILE C C 16 176.261 177.616 -1.355 1
1 105 . 3 1 1 A 17 17 GLU N N 17 122.365 121.454 0.911 1
1 106 . 3 1 1 A 17 17 GLU H H 17 8.639 8.398 0.241 1
1 107 . 3 1 1 A 17 17 GLU CA C 17 59.363 59.532 -0.169 1
1 108 . 3 1 1 A 17 17 GLU HA H 17 4.154 3.942 0.212 1
1 109 . 3 1 1 A 17 17 GLU CB C 17 29.427 29.036 0.391 1
1 113 . 3 1 1 A 17 17 GLU C C 17 177.603 178.389 -0.786 1
1 116 . 3 1 1 A 18 18 CYS N N 18 114.731 115.235 -0.504 1
1 117 . 3 1 1 A 18 18 CYS H H 18 7.995 7.486 0.509 1
1 118 . 3 1 1 A 18 18 CYS CA C 18 58.612 59.705 -1.093 1
1 119 . 3 1 1 A 18 18 CYS HA H 18 5.146 4.614 0.532 1
1 120 . 3 1 1 A 18 18 CYS CB C 18 32.458 29.583 2.875 1
1 122 . 3 1 1 A 18 18 CYS C C 18 176.248 175.263 0.985 1
1 124 . 3 1 1 A 19 19 GLY N N 19 113.796 110.086 3.710 1
1 125 . 3 1 1 A 19 19 GLY H H 19 8.397 8.385 0.012 1
1 126 . 3 1 1 A 19 19 GLY CA C 19 46.250 45.794 0.456 1
1 127 . 3 1 1 A 19 19 GLY HA3 H 19 3.882 4.102 -0.220 1
1 128 . 3 1 1 A 19 19 GLY C C 19 173.933 173.907 0.026 1
1 129 . 3 1 1 A 19 19 GLY HA2 H 19 4.222 4.086 0.136 1
1 130 . 3 1 1 A 20 20 LYS N N 20 122.119 119.901 2.218 1
1 131 . 3 1 1 A 20 20 LYS H H 20 7.887 7.721 0.166 1
1 132 . 3 1 1 A 20 20 LYS CA C 20 57.780 54.523 3.257 1
1 133 . 3 1 1 A 20 20 LYS HA H 20 4.046 4.770 -0.724 1
1 134 . 3 1 1 A 20 20 LYS CB C 20 34.226 35.689 -1.463 1
1 142 . 3 1 1 A 20 20 LYS C C 20 173.634 174.147 -0.513 1
1 147 . 3 1 1 A 21 21 ALA N N 21 122.988 127.414 -4.426 1
1 148 . 3 1 1 A 21 21 ALA H H 21 7.852 8.715 -0.863 1
1 149 . 3 1 1 A 21 21 ALA CA C 21 50.531 50.011 0.520 1
1 150 . 3 1 1 A 21 21 ALA HA H 21 5.068 5.666 -0.598 1
1 151 . 3 1 1 A 21 21 ALA CB C 21 21.964 21.532 0.432 1
1 155 . 3 1 1 A 21 21 ALA C C 21 176.493 175.886 0.607 1
1 156 . 3 1 1 A 22 22 PHE N N 22 117.964 119.662 -1.698 1
1 157 . 3 1 1 A 22 22 PHE H H 22 8.646 9.354 -0.708 1
1 158 . 3 1 1 A 22 22 PHE CA C 22 57.636 56.165 1.471 1
1 159 . 3 1 1 A 22 22 PHE HA H 22 4.620 4.950 -0.330 1
1 160 . 3 1 1 A 22 22 PHE CB C 22 43.392 42.274 1.118 1
1 172 . 3 1 1 A 22 22 PHE C C 22 175.473 176.149 -0.676 1
1 174 . 3 1 1 A 23 23 LYS CA C 23 58.582 58.854 -0.272 1
1 175 . 3 1 1 A 23 23 LYS HA H 23 4.413 4.241 0.172 1
1 176 . 3 1 1 A 23 23 LYS CB C 23 34.037 33.094 0.943 1
1 184 . 3 1 1 A 23 23 LYS C C 23 176.876 176.419 0.457 1
1 189 . 3 1 1 A 24 24 THR N N 24 119.640 108.829 10.811 1
1 190 . 3 1 1 A 24 24 THR H H 24 7.250 7.887 -0.637 1
1 191 . 3 1 1 A 24 24 THR CA C 24 58.320 59.419 -1.099 1
1 192 . 3 1 1 A 24 24 THR HA H 24 4.696 4.758 -0.062 1
1 193 . 3 1 1 A 24 24 THR CB C 24 72.705 71.542 1.163 1
1 199 . 3 1 1 A 24 24 THR C C 24 173.538 175.173 -1.635 1
1 200 . 3 1 1 A 25 25 LYS N N 25 123.935 122.906 1.029 1
1 201 . 3 1 1 A 25 25 LYS H H 25 8.309 8.654 -0.345 1
1 202 . 3 1 1 A 25 25 LYS CA C 25 58.948 59.086 -0.138 1
1 203 . 3 1 1 A 25 25 LYS HA H 25 3.190 2.998 0.192 1
1 204 . 3 1 1 A 25 25 LYS CB C 25 31.814 31.762 0.052 1
1 211 . 3 1 1 A 25 25 LYS C C 25 178.575 178.009 0.566 1
1 216 . 3 1 1 A 26 26 SER N N 26 112.737 115.761 -3.024 1
1 217 . 3 1 1 A 26 26 SER H H 26 8.378 8.215 0.163 1
1 218 . 3 1 1 A 26 26 SER CA C 26 61.462 61.306 0.156 1
1 219 . 3 1 1 A 26 26 SER HA H 26 4.001 4.104 -0.103 1
1 220 . 3 1 1 A 26 26 SER CB C 26 61.997 62.336 -0.339 1
1 222 . 3 1 1 A 26 26 SER C C 26 177.274 176.763 0.511 1
1 224 . 3 1 1 A 27 27 SER N N 27 117.990 115.438 2.552 1
1 225 . 3 1 1 A 27 27 SER H H 27 7.774 8.308 -0.534 1
1 226 . 3 1 1 A 27 27 SER CA C 27 61.787 61.737 0.050 1
1 227 . 3 1 1 A 27 27 SER HA H 27 4.157 4.148 0.009 1
1 228 . 3 1 1 A 27 27 SER CB C 27 62.739 62.371 0.368 1
1 230 . 3 1 1 A 27 27 SER C C 27 176.731 176.239 0.492 1
1 232 . 3 1 1 A 28 28 LEU N N 28 125.136 122.841 2.295 1
1 233 . 3 1 1 A 28 28 LEU H H 28 7.236 7.626 -0.390 1
1 234 . 3 1 1 A 28 28 LEU CA C 28 58.242 57.535 0.707 1
1 235 . 3 1 1 A 28 28 LEU HA H 28 3.274 3.061 0.213 1
1 236 . 3 1 1 A 28 28 LEU CB C 28 40.574 41.497 -0.923 1
1 248 . 3 1 1 A 28 28 LEU C C 28 177.489 178.385 -0.896 1
1 250 . 3 1 1 A 29 29 ILE N N 29 120.340 119.449 0.891 1
1 251 . 3 1 1 A 29 29 ILE H H 29 8.396 7.890 0.506 1
1 252 . 3 1 1 A 29 29 ILE CA C 29 65.377 65.123 0.254 1
1 253 . 3 1 1 A 29 29 ILE HA H 29 3.486 3.592 -0.106 1
1 254 . 3 1 1 A 29 29 ILE CB C 29 37.558 37.679 -0.121 1
1 266 . 3 1 1 A 29 29 ILE C C 29 178.945 178.243 0.702 1
1 268 . 3 1 1 A 30 30 CYS N N 30 117.810 120.859 -3.049 1
1 269 . 3 1 1 A 30 30 CYS H H 30 7.813 7.927 -0.114 1
1 270 . 3 1 1 A 30 30 CYS CA C 30 62.779 62.819 -0.040 1
1 271 . 3 1 1 A 30 30 CYS HA H 30 3.983 3.987 -0.004 1
1 272 . 3 1 1 A 30 30 CYS CB C 30 26.511 26.460 0.051 1
1 274 . 3 1 1 A 30 30 CYS C C 30 177.558 176.823 0.735 1
1 276 . 3 1 1 A 31 31 HIS N N 31 119.264 120.007 -0.743 1
1 277 . 3 1 1 A 31 31 HIS H H 31 7.738 7.890 -0.152 1
1 278 . 3 1 1 A 31 31 HIS CA C 31 59.109 60.018 -0.909 1
1 279 . 3 1 1 A 31 31 HIS HA H 31 4.203 4.118 0.085 1
1 280 . 3 1 1 A 31 31 HIS CB C 31 28.121 29.529 -1.408 1
1 286 . 3 1 1 A 31 31 HIS C C 31 177.945 177.053 0.892 1
1 288 . 3 1 1 A 32 32 ARG N N 32 120.501 117.966 2.535 1
1 289 . 3 1 1 A 32 32 ARG H H 32 8.745 8.647 0.098 1
1 290 . 3 1 1 A 32 32 ARG CA C 32 60.292 58.763 1.529 1
1 291 . 3 1 1 A 32 32 ARG HA H 32 3.640 4.109 -0.469 1
1 292 . 3 1 1 A 32 32 ARG CB C 32 29.469 30.058 -0.589 1
1 298 . 3 1 1 A 32 32 ARG C C 32 178.129 177.958 0.171 1
1 302 . 3 1 1 A 33 33 ARG N N 33 117.976 119.389 -1.413 1
1 303 . 3 1 1 A 33 33 ARG H H 33 7.283 7.823 -0.540 1
1 304 . 3 1 1 A 33 33 ARG CA C 33 58.703 58.473 0.230 1
1 305 . 3 1 1 A 33 33 ARG HA H 33 4.154 4.226 -0.072 1
1 306 . 3 1 1 A 33 33 ARG CB C 33 29.814 30.816 -1.002 1
1 312 . 3 1 1 A 33 33 ARG C C 33 177.957 178.572 -0.615 1
1 316 . 3 1 1 A 34 34 SER N N 34 113.862 117.369 -3.507 1
1 317 . 3 1 1 A 34 34 SER H H 34 7.841 7.815 0.026 1
1 318 . 3 1 1 A 34 34 SER CA C 34 60.492 62.359 -1.867 1
1 319 . 3 1 1 A 34 34 SER HA H 34 4.210 4.081 0.129 1
1 320 . 3 1 1 A 34 34 SER CB C 34 63.284 63.090 0.194 1
1 322 . 3 1 1 A 34 34 SER C C 34 175.028 176.586 -1.558 1
1 324 . 3 1 1 A 35 35 HIS N N 35 119.288 118.528 0.760 1
1 325 . 3 1 1 A 35 35 HIS H H 35 7.313 7.504 -0.191 1
1 326 . 3 1 1 A 35 35 HIS CA C 35 55.647 59.284 -3.637 1
1 327 . 3 1 1 A 35 35 HIS HA H 35 4.865 4.371 0.494 1
1 328 . 3 1 1 A 35 35 HIS CB C 35 28.882 29.534 -0.652 1
1 334 . 3 1 1 A 35 35 HIS C C 35 175.603 175.965 -0.362 1
1 336 . 3 1 1 A 36 36 THR N N 36 112.427 110.968 1.459 1
1 337 . 3 1 1 A 36 36 THR H H 36 7.846 7.833 0.013 1
1 338 . 3 1 1 A 36 36 THR CA C 36 62.411 61.135 1.276 1
1 339 . 3 1 1 A 36 36 THR HA H 36 4.372 4.314 0.058 1
1 340 . 3 1 1 A 36 36 THR CB C 36 69.891 66.809 3.082 1
1 346 . 3 1 1 A 36 36 THR C C 36 175.363 175.158 0.205 1
1 347 . 3 1 1 A 37 37 GLY N N 37 110.984 115.860 -4.876 1
1 348 . 3 1 1 A 37 37 GLY H H 37 8.339 8.408 -0.069 1
1 349 . 3 1 1 A 37 37 GLY CA C 37 45.387 46.663 -1.276 1
1 350 . 3 1 1 A 37 37 GLY HA3 H 37 3.971 3.929 0.042 1
1 351 . 3 1 1 A 37 37 GLY C C 37 174.048 175.563 -1.515 1
1 352 . 3 1 1 A 37 37 GLY HA2 H 37 3.971 3.928 0.043 1
1 353 . 3 1 1 A 38 38 GLU N N 38 120.632 119.933 0.699 1
1 354 . 3 1 1 A 38 38 GLU H H 38 8.114 8.511 -0.397 1
1 355 . 3 1 1 A 38 38 GLU CA C 38 56.455 56.316 0.139 1
1 356 . 3 1 1 A 38 38 GLU HA H 38 4.249 4.226 0.023 1
1 357 . 3 1 1 A 38 38 GLU CB C 38 30.579 28.957 1.622 1
1 361 . 3 1 1 A 38 38 GLU C C 38 176.214 175.576 0.638 1
1 364 . 3 1 1 A 39 39 LYS N N 39 123.848 117.021 6.827 1
1 365 . 3 1 1 A 39 39 LYS H H 39 8.429 7.776 0.653 1
1 366 . 3 1 1 A 39 39 LYS CA C 39 54.125 54.919 -0.794 1
1 367 . 3 1 1 A 39 39 LYS HA H 39 4.610 4.615 -0.005 1
1 368 . 3 1 1 A 39 39 LYS CB C 39 32.513 34.545 -2.032 1
1 376 . 3 1 1 A 39 39 LYS C C 39 174.488 173.450 1.038 1
1 381 . 3 1 1 A 40 40 PRO CA C 40 63.239 62.670 0.569 1
1 382 . 3 1 1 A 40 40 PRO HA H 40 4.464 4.730 -0.266 1
1 383 . 3 1 1 A 40 40 PRO CB C 40 32.143 32.300 -0.157 1
1 392 . 3 1 1 A 43 43 PRO CA C 43 63.278 63.824 -0.546 1
1 393 . 3 1 1 A 43 43 PRO HA H 43 4.481 4.556 -0.075 1
1 394 . 3 1 1 A 43 43 PRO CB C 43 32.178 32.005 0.173 1
1 403 . 3 1 1 A 45 45 SER CA C 45 58.395 56.741 1.654 1
1 404 . 3 1 1 A 45 45 SER HA H 45 4.459 4.758 -0.299 1
1 405 . 3 1 1 A 45 45 SER CB C 45 64.014 63.745 0.269 1
1 407 . 3 1 1 A 45 45 SER C C 45 173.893 174.693 -0.800 1
1 1 . 4 1 1 A 8 8 THR CA C 8 61.941 62.650 -0.709 1
1 2 . 4 1 1 A 8 8 THR HA H 8 4.370 4.491 -0.121 1
1 3 . 4 1 1 A 8 8 THR CB C 8 69.887 69.839 0.048 1
1 8 . 4 1 1 A 9 9 GLY CA C 9 45.384 44.449 0.935 1
1 9 . 4 1 1 A 9 9 GLY HA3 H 9 3.952 4.038 -0.086 1
1 10 . 4 1 1 A 9 9 GLY C C 9 174.059 172.919 1.140 1
1 11 . 4 1 1 A 9 9 GLY HA2 H 9 3.952 4.038 -0.086 1
1 12 . 4 1 1 A 10 10 GLN N N 10 119.396 120.141 -0.745 1
1 13 . 4 1 1 A 10 10 GLN H H 10 8.197 8.462 -0.265 1
1 14 . 4 1 1 A 10 10 GLN CA C 10 56.099 54.630 1.469 1
1 15 . 4 1 1 A 10 10 GLN HA H 10 4.254 4.932 -0.678 1
1 16 . 4 1 1 A 10 10 GLN CB C 10 29.534 32.913 -3.379 1
1 23 . 4 1 1 A 10 10 GLN C C 10 175.906 174.003 1.903 1
1 26 . 4 1 1 A 11 11 ARG N N 11 122.290 123.344 -1.054 1
1 27 . 4 1 1 A 11 11 ARG H H 11 8.323 8.371 -0.048 1
1 28 . 4 1 1 A 11 11 ARG CA C 11 53.699 52.728 0.971 1
1 29 . 4 1 1 A 11 11 ARG HA H 11 4.536 4.754 -0.218 1
1 30 . 4 1 1 A 11 11 ARG CB C 11 30.483 31.362 -0.879 1
1 36 . 4 1 1 A 11 11 ARG C C 11 173.683 175.935 -2.252 1
1 40 . 4 1 1 A 12 12 PRO CA C 12 63.397 64.334 -0.937 1
1 41 . 4 1 1 A 12 12 PRO HA H 12 4.285 4.310 -0.025 1
1 42 . 4 1 1 A 12 12 PRO CB C 12 32.234 31.520 0.714 1
1 48 . 4 1 1 A 12 12 PRO C C 12 176.232 175.911 0.321 1
1 52 . 4 1 1 A 13 13 TYR N N 13 118.384 117.826 0.558 1
1 53 . 4 1 1 A 13 13 TYR H H 13 8.076 7.583 0.493 1
1 54 . 4 1 1 A 13 13 TYR CA C 13 57.335 56.568 0.767 1
1 55 . 4 1 1 A 13 13 TYR HA H 13 4.617 5.137 -0.520 1
1 56 . 4 1 1 A 13 13 TYR CB C 13 38.356 39.640 -1.284 1
1 66 . 4 1 1 A 13 13 TYR C C 13 174.768 174.610 0.158 1
1 68 . 4 1 1 A 14 14 GLU N N 14 123.471 124.103 -0.632 1
1 69 . 4 1 1 A 14 14 GLU H H 14 8.460 9.018 -0.558 1
1 70 . 4 1 1 A 14 14 GLU CA C 14 55.233 54.805 0.428 1
1 71 . 4 1 1 A 14 14 GLU HA H 14 4.925 5.223 -0.298 1
1 72 . 4 1 1 A 14 14 GLU CB C 14 32.790 33.390 -0.600 1
1 76 . 4 1 1 A 14 14 GLU C C 14 175.483 174.904 0.579 1
1 79 . 4 1 1 A 15 15 CYS N N 15 126.570 122.107 4.463 1
1 80 . 4 1 1 A 15 15 CYS H H 15 9.293 9.459 -0.166 1
1 81 . 4 1 1 A 15 15 CYS CA C 15 59.368 57.639 1.729 1
1 82 . 4 1 1 A 15 15 CYS HA H 15 4.608 4.860 -0.252 1
1 83 . 4 1 1 A 15 15 CYS CB C 15 29.874 29.903 -0.029 1
1 85 . 4 1 1 A 15 15 CYS C C 15 177.332 174.948 2.384 1
1 87 . 4 1 1 A 16 16 ILE N N 16 114.361 128.161 -13.800 1
1 88 . 4 1 1 A 16 16 ILE H H 16 8.857 8.689 0.168 1
1 89 . 4 1 1 A 16 16 ILE CA C 16 63.249 60.901 2.348 1
1 90 . 4 1 1 A 16 16 ILE HA H 16 4.126 4.398 -0.272 1
1 91 . 4 1 1 A 16 16 ILE CB C 16 38.266 36.688 1.578 1
1 103 . 4 1 1 A 16 16 ILE C C 16 176.261 176.004 0.257 1
1 105 . 4 1 1 A 17 17 GLU N N 17 122.365 122.511 -0.146 1
1 106 . 4 1 1 A 17 17 GLU H H 17 8.639 8.473 0.166 1
1 107 . 4 1 1 A 17 17 GLU CA C 17 59.363 57.846 1.517 1
1 108 . 4 1 1 A 17 17 GLU HA H 17 4.154 4.608 -0.454 1
1 109 . 4 1 1 A 17 17 GLU CB C 17 29.427 32.399 -2.972 1
1 113 . 4 1 1 A 17 17 GLU C C 17 177.603 177.549 0.054 1
1 116 . 4 1 1 A 18 18 CYS N N 18 114.731 116.187 -1.456 1
1 117 . 4 1 1 A 18 18 CYS H H 18 7.995 8.163 -0.168 1
1 118 . 4 1 1 A 18 18 CYS CA C 18 58.612 59.821 -1.209 1
1 119 . 4 1 1 A 18 18 CYS HA H 18 5.146 4.714 0.432 1
1 120 . 4 1 1 A 18 18 CYS CB C 18 32.458 29.903 2.555 1
1 122 . 4 1 1 A 18 18 CYS C C 18 176.248 175.399 0.849 1
1 124 . 4 1 1 A 19 19 GLY N N 19 113.796 109.657 4.139 1
1 125 . 4 1 1 A 19 19 GLY H H 19 8.397 8.292 0.105 1
1 126 . 4 1 1 A 19 19 GLY CA C 19 46.250 45.759 0.491 1
1 127 . 4 1 1 A 19 19 GLY HA3 H 19 3.882 4.108 -0.226 1
1 128 . 4 1 1 A 19 19 GLY C C 19 173.933 173.815 0.118 1
1 129 . 4 1 1 A 19 19 GLY HA2 H 19 4.222 4.092 0.130 1
1 130 . 4 1 1 A 20 20 LYS N N 20 122.119 120.127 1.992 1
1 131 . 4 1 1 A 20 20 LYS H H 20 7.887 7.826 0.061 1
1 132 . 4 1 1 A 20 20 LYS CA C 20 57.780 54.893 2.887 1
1 133 . 4 1 1 A 20 20 LYS HA H 20 4.046 4.991 -0.945 1
1 134 . 4 1 1 A 20 20 LYS CB C 20 34.226 35.857 -1.631 1
1 142 . 4 1 1 A 20 20 LYS C C 20 173.634 174.175 -0.541 1
1 147 . 4 1 1 A 21 21 ALA N N 21 122.988 127.184 -4.196 1
1 148 . 4 1 1 A 21 21 ALA H H 21 7.852 8.711 -0.859 1
1 149 . 4 1 1 A 21 21 ALA CA C 21 50.531 49.808 0.723 1
1 150 . 4 1 1 A 21 21 ALA HA H 21 5.068 5.733 -0.665 1
1 151 . 4 1 1 A 21 21 ALA CB C 21 21.964 22.937 -0.973 1
1 155 . 4 1 1 A 21 21 ALA C C 21 176.493 176.094 0.399 1
1 156 . 4 1 1 A 22 22 PHE N N 22 117.964 117.481 0.483 1
1 157 . 4 1 1 A 22 22 PHE H H 22 8.646 9.141 -0.495 1
1 158 . 4 1 1 A 22 22 PHE CA C 22 57.636 56.329 1.307 1
1 159 . 4 1 1 A 22 22 PHE HA H 22 4.620 4.921 -0.301 1
1 160 . 4 1 1 A 22 22 PHE CB C 22 43.392 43.220 0.172 1
1 172 . 4 1 1 A 22 22 PHE C C 22 175.473 176.147 -0.674 1
1 174 . 4 1 1 A 23 23 LYS CA C 23 58.582 59.092 -0.510 1
1 175 . 4 1 1 A 23 23 LYS HA H 23 4.413 4.251 0.162 1
1 176 . 4 1 1 A 23 23 LYS CB C 23 34.037 32.370 1.667 1
1 184 . 4 1 1 A 23 23 LYS C C 23 176.876 177.045 -0.169 1
1 189 . 4 1 1 A 24 24 THR N N 24 119.640 110.688 8.952 1
1 190 . 4 1 1 A 24 24 THR H H 24 7.250 7.848 -0.598 1
1 191 . 4 1 1 A 24 24 THR CA C 24 58.320 59.596 -1.276 1
1 192 . 4 1 1 A 24 24 THR HA H 24 4.696 4.623 0.073 1
1 193 . 4 1 1 A 24 24 THR CB C 24 72.705 70.831 1.874 1
1 199 . 4 1 1 A 24 24 THR C C 24 173.538 174.851 -1.313 1
1 200 . 4 1 1 A 25 25 LYS N N 25 123.935 123.277 0.658 1
1 201 . 4 1 1 A 25 25 LYS H H 25 8.309 7.895 0.414 1
1 202 . 4 1 1 A 25 25 LYS CA C 25 58.948 60.017 -1.069 1
1 203 . 4 1 1 A 25 25 LYS HA H 25 3.190 3.412 -0.222 1
1 204 . 4 1 1 A 25 25 LYS CB C 25 31.814 31.389 0.425 1
1 211 . 4 1 1 A 25 25 LYS C C 25 178.575 177.763 0.812 1
1 216 . 4 1 1 A 26 26 SER N N 26 112.737 114.271 -1.534 1
1 217 . 4 1 1 A 26 26 SER H H 26 8.378 7.781 0.597 1
1 218 . 4 1 1 A 26 26 SER CA C 26 61.462 61.642 -0.180 1
1 219 . 4 1 1 A 26 26 SER HA H 26 4.001 3.932 0.069 1
1 220 . 4 1 1 A 26 26 SER CB C 26 61.997 62.934 -0.937 1
1 222 . 4 1 1 A 26 26 SER C C 26 177.274 176.832 0.442 1
1 224 . 4 1 1 A 27 27 SER N N 27 117.990 115.976 2.014 1
1 225 . 4 1 1 A 27 27 SER H H 27 7.774 8.437 -0.663 1
1 226 . 4 1 1 A 27 27 SER CA C 27 61.787 61.827 -0.040 1
1 227 . 4 1 1 A 27 27 SER HA H 27 4.157 4.128 0.029 1
1 228 . 4 1 1 A 27 27 SER CB C 27 62.739 62.328 0.411 1
1 230 . 4 1 1 A 27 27 SER C C 27 176.731 176.301 0.430 1
1 232 . 4 1 1 A 28 28 LEU N N 28 125.136 123.598 1.538 1
1 233 . 4 1 1 A 28 28 LEU H H 28 7.236 7.770 -0.534 1
1 234 . 4 1 1 A 28 28 LEU CA C 28 58.242 57.520 0.722 1
1 235 . 4 1 1 A 28 28 LEU HA H 28 3.274 2.686 0.588 1
1 236 . 4 1 1 A 28 28 LEU CB C 28 40.574 41.579 -1.005 1
1 248 . 4 1 1 A 28 28 LEU C C 28 177.489 178.450 -0.961 1
1 250 . 4 1 1 A 29 29 ILE N N 29 120.340 119.194 1.146 1
1 251 . 4 1 1 A 29 29 ILE H H 29 8.396 8.233 0.163 1
1 252 . 4 1 1 A 29 29 ILE CA C 29 65.377 65.172 0.205 1
1 253 . 4 1 1 A 29 29 ILE HA H 29 3.486 3.531 -0.045 1
1 254 . 4 1 1 A 29 29 ILE CB C 29 37.558 37.745 -0.187 1
1 266 . 4 1 1 A 29 29 ILE C C 29 178.945 178.105 0.840 1
1 268 . 4 1 1 A 30 30 CYS N N 30 117.810 120.765 -2.955 1
1 269 . 4 1 1 A 30 30 CYS H H 30 7.813 7.839 -0.026 1
1 270 . 4 1 1 A 30 30 CYS CA C 30 62.779 63.106 -0.327 1
1 271 . 4 1 1 A 30 30 CYS HA H 30 3.983 3.920 0.063 1
1 272 . 4 1 1 A 30 30 CYS CB C 30 26.511 26.295 0.216 1
1 274 . 4 1 1 A 30 30 CYS C C 30 177.558 177.012 0.546 1
1 276 . 4 1 1 A 31 31 HIS N N 31 119.264 119.734 -0.470 1
1 277 . 4 1 1 A 31 31 HIS H H 31 7.738 7.927 -0.189 1
1 278 . 4 1 1 A 31 31 HIS CA C 31 59.109 59.951 -0.842 1
1 279 . 4 1 1 A 31 31 HIS HA H 31 4.203 4.138 0.065 1
1 280 . 4 1 1 A 31 31 HIS CB C 31 28.121 29.601 -1.480 1
1 286 . 4 1 1 A 31 31 HIS C C 31 177.945 177.357 0.588 1
1 288 . 4 1 1 A 32 32 ARG N N 32 120.501 119.071 1.430 1
1 289 . 4 1 1 A 32 32 ARG H H 32 8.745 7.996 0.749 1
1 290 . 4 1 1 A 32 32 ARG CA C 32 60.292 59.605 0.687 1
1 291 . 4 1 1 A 32 32 ARG HA H 32 3.640 3.801 -0.161 1
1 292 . 4 1 1 A 32 32 ARG CB C 32 29.469 29.832 -0.363 1
1 298 . 4 1 1 A 32 32 ARG C C 32 178.129 178.430 -0.301 1
1 302 . 4 1 1 A 33 33 ARG N N 33 117.976 118.493 -0.517 1
1 303 . 4 1 1 A 33 33 ARG H H 33 7.283 7.915 -0.632 1
1 304 . 4 1 1 A 33 33 ARG CA C 33 58.703 58.532 0.171 1
1 305 . 4 1 1 A 33 33 ARG HA H 33 4.154 4.079 0.075 1
1 306 . 4 1 1 A 33 33 ARG CB C 33 29.814 30.289 -0.475 1
1 312 . 4 1 1 A 33 33 ARG C C 33 177.957 178.402 -0.445 1
1 316 . 4 1 1 A 34 34 SER N N 34 113.862 115.193 -1.331 1
1 317 . 4 1 1 A 34 34 SER H H 34 7.841 7.492 0.349 1
1 318 . 4 1 1 A 34 34 SER CA C 34 60.492 61.404 -0.912 1
1 319 . 4 1 1 A 34 34 SER HA H 34 4.210 4.203 0.007 1
1 320 . 4 1 1 A 34 34 SER CB C 34 63.284 63.136 0.148 1
1 322 . 4 1 1 A 34 34 SER C C 34 175.028 177.259 -2.231 1
1 324 . 4 1 1 A 35 35 HIS N N 35 119.288 119.803 -0.515 1
1 325 . 4 1 1 A 35 35 HIS H H 35 7.313 8.054 -0.741 1
1 326 . 4 1 1 A 35 35 HIS CA C 35 55.647 59.081 -3.434 1
1 327 . 4 1 1 A 35 35 HIS HA H 35 4.865 4.162 0.703 1
1 328 . 4 1 1 A 35 35 HIS CB C 35 28.882 29.929 -1.047 1
1 334 . 4 1 1 A 35 35 HIS C C 35 175.603 175.454 0.149 1
1 336 . 4 1 1 A 36 36 THR N N 36 112.427 111.891 0.536 1
1 337 . 4 1 1 A 36 36 THR H H 36 7.846 7.863 -0.017 1
1 338 . 4 1 1 A 36 36 THR CA C 36 62.411 62.888 -0.477 1
1 339 . 4 1 1 A 36 36 THR HA H 36 4.372 3.971 0.401 1
1 340 . 4 1 1 A 36 36 THR CB C 36 69.891 66.661 3.230 1
1 346 . 4 1 1 A 36 36 THR C C 36 175.363 173.996 1.367 1
1 347 . 4 1 1 A 37 37 GLY N N 37 110.984 110.184 0.800 1
1 348 . 4 1 1 A 37 37 GLY H H 37 8.339 8.534 -0.195 1
1 349 . 4 1 1 A 37 37 GLY CA C 37 45.387 44.512 0.875 1
1 350 . 4 1 1 A 37 37 GLY HA3 H 37 3.971 4.085 -0.114 1
1 351 . 4 1 1 A 37 37 GLY C C 37 174.048 172.830 1.218 1
1 352 . 4 1 1 A 37 37 GLY HA2 H 37 3.971 4.083 -0.112 1
1 353 . 4 1 1 A 38 38 GLU N N 38 120.632 119.619 1.013 1
1 354 . 4 1 1 A 38 38 GLU H H 38 8.114 8.506 -0.392 1
1 355 . 4 1 1 A 38 38 GLU CA C 38 56.455 54.664 1.791 1
1 356 . 4 1 1 A 38 38 GLU HA H 38 4.249 4.838 -0.589 1
1 357 . 4 1 1 A 38 38 GLU CB C 38 30.579 32.986 -2.407 1
1 361 . 4 1 1 A 38 38 GLU C C 38 176.214 175.767 0.447 1
1 364 . 4 1 1 A 39 39 LYS N N 39 123.848 117.950 5.898 1
1 365 . 4 1 1 A 39 39 LYS H H 39 8.429 8.788 -0.359 1
1 366 . 4 1 1 A 39 39 LYS CA C 39 54.125 56.812 -2.687 1
1 367 . 4 1 1 A 39 39 LYS HA H 39 4.610 3.759 0.851 1
1 368 . 4 1 1 A 39 39 LYS CB C 39 32.513 30.686 1.827 1
1 376 . 4 1 1 A 39 39 LYS C C 39 174.488 175.195 -0.707 1
1 381 . 4 1 1 A 40 40 PRO CA C 40 63.239 62.483 0.756 1
1 382 . 4 1 1 A 40 40 PRO HA H 40 4.464 4.643 -0.179 1
1 383 . 4 1 1 A 40 40 PRO CB C 40 32.143 30.300 1.843 1
1 392 . 4 1 1 A 43 43 PRO CA C 43 63.278 62.578 0.700 1
1 393 . 4 1 1 A 43 43 PRO HA H 43 4.481 4.516 -0.035 1
1 394 . 4 1 1 A 43 43 PRO CB C 43 32.178 32.115 0.063 1
1 403 . 4 1 1 A 45 45 SER CA C 45 58.395 60.704 -2.309 1
1 404 . 4 1 1 A 45 45 SER HA H 45 4.459 4.249 0.210 1
1 405 . 4 1 1 A 45 45 SER CB C 45 64.014 62.826 1.188 1
1 407 . 4 1 1 A 45 45 SER C C 45 173.893 175.621 -1.728 1
1 1 . 5 1 1 A 8 8 THR CA C 8 61.941 59.668 2.273 1
1 2 . 5 1 1 A 8 8 THR HA H 8 4.370 4.964 -0.594 1
1 3 . 5 1 1 A 8 8 THR CB C 8 69.887 71.798 -1.911 1
1 8 . 5 1 1 A 9 9 GLY CA C 9 45.384 47.361 -1.977 1
1 9 . 5 1 1 A 9 9 GLY HA3 H 9 3.952 3.819 0.133 1
1 10 . 5 1 1 A 9 9 GLY C C 9 174.059 174.973 -0.914 1
1 11 . 5 1 1 A 9 9 GLY HA2 H 9 3.952 3.814 0.138 1
1 12 . 5 1 1 A 10 10 GLN N N 10 119.396 114.362 5.034 1
1 13 . 5 1 1 A 10 10 GLN H H 10 8.197 7.839 0.358 1
1 14 . 5 1 1 A 10 10 GLN CA C 10 56.099 56.754 -0.655 1
1 15 . 5 1 1 A 10 10 GLN HA H 10 4.254 3.825 0.429 1
1 16 . 5 1 1 A 10 10 GLN CB C 10 29.534 26.283 3.251 1
1 23 . 5 1 1 A 10 10 GLN C C 10 175.906 175.273 0.633 1
1 26 . 5 1 1 A 11 11 ARG N N 11 122.290 120.216 2.074 1
1 27 . 5 1 1 A 11 11 ARG H H 11 8.323 8.050 0.273 1
1 28 . 5 1 1 A 11 11 ARG CA C 11 53.699 54.367 -0.668 1
1 29 . 5 1 1 A 11 11 ARG HA H 11 4.536 4.438 0.098 1
1 30 . 5 1 1 A 11 11 ARG CB C 11 30.483 29.789 0.694 1
1 36 . 5 1 1 A 11 11 ARG C C 11 173.683 176.062 -2.379 1
1 40 . 5 1 1 A 12 12 PRO CA C 12 63.397 64.239 -0.842 1
1 41 . 5 1 1 A 12 12 PRO HA H 12 4.285 4.336 -0.051 1
1 42 . 5 1 1 A 12 12 PRO CB C 12 32.234 31.395 0.839 1
1 48 . 5 1 1 A 12 12 PRO C C 12 176.232 175.692 0.540 1
1 52 . 5 1 1 A 13 13 TYR N N 13 118.384 118.465 -0.081 1
1 53 . 5 1 1 A 13 13 TYR H H 13 8.076 7.584 0.492 1
1 54 . 5 1 1 A 13 13 TYR CA C 13 57.335 56.873 0.462 1
1 55 . 5 1 1 A 13 13 TYR HA H 13 4.617 5.266 -0.649 1
1 56 . 5 1 1 A 13 13 TYR CB C 13 38.356 40.549 -2.193 1
1 66 . 5 1 1 A 13 13 TYR C C 13 174.768 175.176 -0.408 1
1 68 . 5 1 1 A 14 14 GLU N N 14 123.471 122.965 0.506 1
1 69 . 5 1 1 A 14 14 GLU H H 14 8.460 8.885 -0.425 1
1 70 . 5 1 1 A 14 14 GLU CA C 14 55.233 54.661 0.572 1
1 71 . 5 1 1 A 14 14 GLU HA H 14 4.925 5.256 -0.331 1
1 72 . 5 1 1 A 14 14 GLU CB C 14 32.790 34.067 -1.277 1
1 76 . 5 1 1 A 14 14 GLU C C 14 175.483 175.025 0.458 1
1 79 . 5 1 1 A 15 15 CYS N N 15 126.570 123.886 2.684 1
1 80 . 5 1 1 A 15 15 CYS H H 15 9.293 9.343 -0.050 1
1 81 . 5 1 1 A 15 15 CYS CA C 15 59.368 57.912 1.456 1
1 82 . 5 1 1 A 15 15 CYS HA H 15 4.608 4.682 -0.074 1
1 83 . 5 1 1 A 15 15 CYS CB C 15 29.874 28.675 1.199 1
1 85 . 5 1 1 A 15 15 CYS C C 15 177.332 175.488 1.844 1
1 87 . 5 1 1 A 16 16 ILE N N 16 114.361 127.897 -13.536 1
1 88 . 5 1 1 A 16 16 ILE H H 16 8.857 8.604 0.253 1
1 89 . 5 1 1 A 16 16 ILE CA C 16 63.249 60.950 2.299 1
1 90 . 5 1 1 A 16 16 ILE HA H 16 4.126 4.370 -0.244 1
1 91 . 5 1 1 A 16 16 ILE CB C 16 38.266 37.007 1.259 1
1 103 . 5 1 1 A 16 16 ILE C C 16 176.261 176.271 -0.010 1
1 105 . 5 1 1 A 17 17 GLU N N 17 122.365 122.273 0.092 1
1 106 . 5 1 1 A 17 17 GLU H H 17 8.639 8.409 0.230 1
1 107 . 5 1 1 A 17 17 GLU CA C 17 59.363 57.808 1.555 1
1 108 . 5 1 1 A 17 17 GLU HA H 17 4.154 4.606 -0.452 1
1 109 . 5 1 1 A 17 17 GLU CB C 17 29.427 32.210 -2.783 1
1 113 . 5 1 1 A 17 17 GLU C C 17 177.603 177.622 -0.019 1
1 116 . 5 1 1 A 18 18 CYS N N 18 114.731 116.341 -1.610 1
1 117 . 5 1 1 A 18 18 CYS H H 18 7.995 8.176 -0.181 1
1 118 . 5 1 1 A 18 18 CYS CA C 18 58.612 59.667 -1.055 1
1 119 . 5 1 1 A 18 18 CYS HA H 18 5.146 4.743 0.403 1
1 120 . 5 1 1 A 18 18 CYS CB C 18 32.458 29.931 2.527 1
1 122 . 5 1 1 A 18 18 CYS C C 18 176.248 175.360 0.888 1
1 124 . 5 1 1 A 19 19 GLY N N 19 113.796 109.498 4.298 1
1 125 . 5 1 1 A 19 19 GLY H H 19 8.397 8.235 0.162 1
1 126 . 5 1 1 A 19 19 GLY CA C 19 46.250 45.834 0.416 1
1 127 . 5 1 1 A 19 19 GLY HA3 H 19 3.882 4.083 -0.201 1
1 128 . 5 1 1 A 19 19 GLY C C 19 173.933 173.838 0.095 1
1 129 . 5 1 1 A 19 19 GLY HA2 H 19 4.222 4.080 0.142 1
1 130 . 5 1 1 A 20 20 LYS N N 20 122.119 119.130 2.989 1
1 131 . 5 1 1 A 20 20 LYS H H 20 7.887 7.821 0.066 1
1 132 . 5 1 1 A 20 20 LYS CA C 20 57.780 54.263 3.517 1
1 133 . 5 1 1 A 20 20 LYS HA H 20 4.046 4.781 -0.735 1
1 134 . 5 1 1 A 20 20 LYS CB C 20 34.226 36.458 -2.232 1
1 142 . 5 1 1 A 20 20 LYS C C 20 173.634 174.633 -0.999 1
1 147 . 5 1 1 A 21 21 ALA N N 21 122.988 122.375 0.613 1
1 148 . 5 1 1 A 21 21 ALA H H 21 7.852 8.672 -0.820 1
1 149 . 5 1 1 A 21 21 ALA CA C 21 50.531 49.954 0.577 1
1 150 . 5 1 1 A 21 21 ALA HA H 21 5.068 5.617 -0.549 1
1 151 . 5 1 1 A 21 21 ALA CB C 21 21.964 22.956 -0.992 1
1 155 . 5 1 1 A 21 21 ALA C C 21 176.493 175.259 1.234 1
1 156 . 5 1 1 A 22 22 PHE N N 22 117.964 116.851 1.113 1
1 157 . 5 1 1 A 22 22 PHE H H 22 8.646 8.735 -0.089 1
1 158 . 5 1 1 A 22 22 PHE CA C 22 57.636 56.859 0.777 1
1 159 . 5 1 1 A 22 22 PHE HA H 22 4.620 4.937 -0.317 1
1 160 . 5 1 1 A 22 22 PHE CB C 22 43.392 43.753 -0.361 1
1 172 . 5 1 1 A 22 22 PHE C C 22 175.473 175.978 -0.505 1
1 174 . 5 1 1 A 23 23 LYS CA C 23 58.582 58.265 0.317 1
1 175 . 5 1 1 A 23 23 LYS HA H 23 4.413 4.351 0.062 1
1 176 . 5 1 1 A 23 23 LYS CB C 23 34.037 33.154 0.883 1
1 184 . 5 1 1 A 23 23 LYS C C 23 176.876 176.946 -0.070 1
1 189 . 5 1 1 A 24 24 THR N N 24 119.640 111.286 8.354 1
1 190 . 5 1 1 A 24 24 THR H H 24 7.250 7.805 -0.555 1
1 191 . 5 1 1 A 24 24 THR CA C 24 58.320 59.694 -1.374 1
1 192 . 5 1 1 A 24 24 THR HA H 24 4.696 4.469 0.227 1
1 193 . 5 1 1 A 24 24 THR CB C 24 72.705 72.746 -0.041 1
1 199 . 5 1 1 A 24 24 THR C C 24 173.538 174.316 -0.778 1
1 200 . 5 1 1 A 25 25 LYS N N 25 123.935 121.786 2.149 1
1 201 . 5 1 1 A 25 25 LYS H H 25 8.309 8.332 -0.023 1
1 202 . 5 1 1 A 25 25 LYS CA C 25 58.948 59.896 -0.948 1
1 203 . 5 1 1 A 25 25 LYS HA H 25 3.190 3.493 -0.303 1
1 204 . 5 1 1 A 25 25 LYS CB C 25 31.814 31.946 -0.132 1
1 211 . 5 1 1 A 25 25 LYS C C 25 178.575 178.212 0.363 1
1 216 . 5 1 1 A 26 26 SER N N 26 112.737 115.994 -3.257 1
1 217 . 5 1 1 A 26 26 SER H H 26 8.378 8.091 0.287 1
1 218 . 5 1 1 A 26 26 SER CA C 26 61.462 61.836 -0.374 1
1 219 . 5 1 1 A 26 26 SER HA H 26 4.001 4.068 -0.067 1
1 220 . 5 1 1 A 26 26 SER CB C 26 61.997 62.837 -0.840 1
1 222 . 5 1 1 A 26 26 SER C C 26 177.274 176.670 0.604 1
1 224 . 5 1 1 A 27 27 SER N N 27 117.990 117.286 0.704 1
1 225 . 5 1 1 A 27 27 SER H H 27 7.774 7.687 0.087 1
1 226 . 5 1 1 A 27 27 SER CA C 27 61.787 62.189 -0.402 1
1 227 . 5 1 1 A 27 27 SER HA H 27 4.157 4.145 0.012 1
1 228 . 5 1 1 A 27 27 SER CB C 27 62.739 63.272 -0.533 1
1 230 . 5 1 1 A 27 27 SER C C 27 176.731 175.909 0.822 1
1 232 . 5 1 1 A 28 28 LEU N N 28 125.136 121.746 3.390 1
1 233 . 5 1 1 A 28 28 LEU H H 28 7.236 7.757 -0.521 1
1 234 . 5 1 1 A 28 28 LEU CA C 28 58.242 57.982 0.260 1
1 235 . 5 1 1 A 28 28 LEU HA H 28 3.274 2.266 1.008 1
1 236 . 5 1 1 A 28 28 LEU CB C 28 40.574 41.521 -0.947 1
1 248 . 5 1 1 A 28 28 LEU C C 28 177.489 178.192 -0.703 1
1 250 . 5 1 1 A 29 29 ILE N N 29 120.340 119.182 1.158 1
1 251 . 5 1 1 A 29 29 ILE H H 29 8.396 8.274 0.122 1
1 252 . 5 1 1 A 29 29 ILE CA C 29 65.377 65.479 -0.102 1
1 253 . 5 1 1 A 29 29 ILE HA H 29 3.486 3.525 -0.039 1
1 254 . 5 1 1 A 29 29 ILE CB C 29 37.558 37.514 0.044 1
1 266 . 5 1 1 A 29 29 ILE C C 29 178.945 177.932 1.013 1
1 268 . 5 1 1 A 30 30 CYS N N 30 117.810 120.300 -2.490 1
1 269 . 5 1 1 A 30 30 CYS H H 30 7.813 7.608 0.205 1
1 270 . 5 1 1 A 30 30 CYS CA C 30 62.779 63.070 -0.291 1
1 271 . 5 1 1 A 30 30 CYS HA H 30 3.983 3.877 0.106 1
1 272 . 5 1 1 A 30 30 CYS CB C 30 26.511 26.987 -0.476 1
1 274 . 5 1 1 A 30 30 CYS C C 30 177.558 177.133 0.425 1
1 276 . 5 1 1 A 31 31 HIS N N 31 119.264 119.957 -0.693 1
1 277 . 5 1 1 A 31 31 HIS H H 31 7.738 7.905 -0.167 1
1 278 . 5 1 1 A 31 31 HIS CA C 31 59.109 58.158 0.951 1
1 279 . 5 1 1 A 31 31 HIS HA H 31 4.203 4.208 -0.005 1
1 280 . 5 1 1 A 31 31 HIS CB C 31 28.121 30.425 -2.304 1
1 286 . 5 1 1 A 31 31 HIS C C 31 177.945 177.194 0.751 1
1 288 . 5 1 1 A 32 32 ARG N N 32 120.501 118.602 1.899 1
1 289 . 5 1 1 A 32 32 ARG H H 32 8.745 8.127 0.618 1
1 290 . 5 1 1 A 32 32 ARG CA C 32 60.292 59.208 1.084 1
1 291 . 5 1 1 A 32 32 ARG HA H 32 3.640 4.289 -0.649 1
1 292 . 5 1 1 A 32 32 ARG CB C 32 29.469 30.485 -1.016 1
1 298 . 5 1 1 A 32 32 ARG C C 32 178.129 179.067 -0.938 1
1 302 . 5 1 1 A 33 33 ARG N N 33 117.976 119.289 -1.313 1
1 303 . 5 1 1 A 33 33 ARG H H 33 7.283 8.250 -0.967 1
1 304 . 5 1 1 A 33 33 ARG CA C 33 58.703 58.854 -0.151 1
1 305 . 5 1 1 A 33 33 ARG HA H 33 4.154 4.116 0.038 1
1 306 . 5 1 1 A 33 33 ARG CB C 33 29.814 29.572 0.242 1
1 312 . 5 1 1 A 33 33 ARG C C 33 177.957 178.769 -0.812 1
1 316 . 5 1 1 A 34 34 SER N N 34 113.862 116.895 -3.033 1
1 317 . 5 1 1 A 34 34 SER H H 34 7.841 7.570 0.271 1
1 318 . 5 1 1 A 34 34 SER CA C 34 60.492 62.359 -1.867 1
1 319 . 5 1 1 A 34 34 SER HA H 34 4.210 4.089 0.121 1
1 320 . 5 1 1 A 34 34 SER CB C 34 63.284 62.993 0.291 1
1 322 . 5 1 1 A 34 34 SER C C 34 175.028 176.274 -1.246 1
1 324 . 5 1 1 A 35 35 HIS N N 35 119.288 119.105 0.183 1
1 325 . 5 1 1 A 35 35 HIS H H 35 7.313 7.867 -0.554 1
1 326 . 5 1 1 A 35 35 HIS CA C 35 55.647 58.908 -3.261 1
1 327 . 5 1 1 A 35 35 HIS HA H 35 4.865 4.339 0.526 1
1 328 . 5 1 1 A 35 35 HIS CB C 35 28.882 29.879 -0.997 1
1 334 . 5 1 1 A 35 35 HIS C C 35 175.603 175.951 -0.348 1
1 336 . 5 1 1 A 36 36 THR N N 36 112.427 107.587 4.840 1
1 337 . 5 1 1 A 36 36 THR H H 36 7.846 7.469 0.377 1
1 338 . 5 1 1 A 36 36 THR CA C 36 62.411 61.231 1.180 1
1 339 . 5 1 1 A 36 36 THR HA H 36 4.372 4.422 -0.050 1
1 340 . 5 1 1 A 36 36 THR CB C 36 69.891 69.713 0.178 1
1 346 . 5 1 1 A 36 36 THR C C 36 175.363 174.170 1.193 1
1 347 . 5 1 1 A 37 37 GLY N N 37 110.984 111.875 -0.891 1
1 348 . 5 1 1 A 37 37 GLY H H 37 8.339 8.318 0.021 1
1 349 . 5 1 1 A 37 37 GLY CA C 37 45.387 45.901 -0.514 1
1 350 . 5 1 1 A 37 37 GLY HA3 H 37 3.971 4.101 -0.130 1
1 351 . 5 1 1 A 37 37 GLY C C 37 174.048 174.051 -0.003 1
1 352 . 5 1 1 A 37 37 GLY HA2 H 37 3.971 4.096 -0.125 1
1 353 . 5 1 1 A 38 38 GLU N N 38 120.632 124.420 -3.788 1
1 354 . 5 1 1 A 38 38 GLU H H 38 8.114 7.939 0.175 1
1 355 . 5 1 1 A 38 38 GLU CA C 38 56.455 56.706 -0.251 1
1 356 . 5 1 1 A 38 38 GLU HA H 38 4.249 4.362 -0.113 1
1 357 . 5 1 1 A 38 38 GLU CB C 38 30.579 29.928 0.651 1
1 361 . 5 1 1 A 38 38 GLU C C 38 176.214 175.274 0.940 1
1 364 . 5 1 1 A 39 39 LYS N N 39 123.848 123.450 0.398 1
1 365 . 5 1 1 A 39 39 LYS H H 39 8.429 8.200 0.229 1
1 366 . 5 1 1 A 39 39 LYS CA C 39 54.125 54.011 0.114 1
1 367 . 5 1 1 A 39 39 LYS HA H 39 4.610 4.888 -0.278 1
1 368 . 5 1 1 A 39 39 LYS CB C 39 32.513 35.830 -3.317 1
1 376 . 5 1 1 A 39 39 LYS C C 39 174.488 173.346 1.142 1
1 381 . 5 1 1 A 40 40 PRO CA C 40 63.239 62.892 0.347 1
1 382 . 5 1 1 A 40 40 PRO HA H 40 4.464 4.800 -0.336 1
1 383 . 5 1 1 A 40 40 PRO CB C 40 32.143 31.647 0.496 1
1 392 . 5 1 1 A 43 43 PRO CA C 43 63.278 63.922 -0.644 1
1 393 . 5 1 1 A 43 43 PRO HA H 43 4.481 4.567 -0.086 1
1 394 . 5 1 1 A 43 43 PRO CB C 43 32.178 31.823 0.355 1
1 403 . 5 1 1 A 45 45 SER CA C 45 58.395 58.977 -0.582 1
1 404 . 5 1 1 A 45 45 SER HA H 45 4.459 4.168 0.291 1
1 405 . 5 1 1 A 45 45 SER CB C 45 64.014 61.007 3.007 1
1 407 . 5 1 1 A 45 45 SER C C 45 173.893 173.743 0.150 1
1 1 . 6 1 1 A 8 8 THR CA C 8 61.941 62.184 -0.243 1
1 2 . 6 1 1 A 8 8 THR HA H 8 4.370 4.561 -0.191 1
1 3 . 6 1 1 A 8 8 THR CB C 8 69.887 70.968 -1.081 1
1 8 . 6 1 1 A 9 9 GLY CA C 9 45.384 46.531 -1.147 1
1 9 . 6 1 1 A 9 9 GLY HA3 H 9 3.952 3.940 0.012 1
1 10 . 6 1 1 A 9 9 GLY C C 9 174.059 174.269 -0.210 1
1 11 . 6 1 1 A 9 9 GLY HA2 H 9 3.952 3.939 0.013 1
1 12 . 6 1 1 A 10 10 GLN N N 10 119.396 119.930 -0.534 1
1 13 . 6 1 1 A 10 10 GLN H H 10 8.197 7.845 0.352 1
1 14 . 6 1 1 A 10 10 GLN CA C 10 56.099 54.567 1.532 1
1 15 . 6 1 1 A 10 10 GLN HA H 10 4.254 4.822 -0.568 1
1 16 . 6 1 1 A 10 10 GLN CB C 10 29.534 29.482 0.052 1
1 23 . 6 1 1 A 10 10 GLN C C 10 175.906 174.349 1.557 1
1 26 . 6 1 1 A 11 11 ARG N N 11 122.290 125.694 -3.404 1
1 27 . 6 1 1 A 11 11 ARG H H 11 8.323 8.346 -0.023 1
1 28 . 6 1 1 A 11 11 ARG CA C 11 53.699 52.882 0.817 1
1 29 . 6 1 1 A 11 11 ARG HA H 11 4.536 4.839 -0.303 1
1 30 . 6 1 1 A 11 11 ARG CB C 11 30.483 31.538 -1.055 1
1 36 . 6 1 1 A 11 11 ARG C C 11 173.683 175.863 -2.180 1
1 40 . 6 1 1 A 12 12 PRO CA C 12 63.397 64.314 -0.917 1
1 41 . 6 1 1 A 12 12 PRO HA H 12 4.285 4.268 0.017 1
1 42 . 6 1 1 A 12 12 PRO CB C 12 32.234 31.703 0.531 1
1 48 . 6 1 1 A 12 12 PRO C C 12 176.232 175.769 0.463 1
1 52 . 6 1 1 A 13 13 TYR N N 13 118.384 117.906 0.478 1
1 53 . 6 1 1 A 13 13 TYR H H 13 8.076 7.568 0.508 1
1 54 . 6 1 1 A 13 13 TYR CA C 13 57.335 56.828 0.507 1
1 55 . 6 1 1 A 13 13 TYR HA H 13 4.617 5.396 -0.779 1
1 56 . 6 1 1 A 13 13 TYR CB C 13 38.356 41.402 -3.046 1
1 66 . 6 1 1 A 13 13 TYR C C 13 174.768 175.106 -0.338 1
1 68 . 6 1 1 A 14 14 GLU N N 14 123.471 122.680 0.791 1
1 69 . 6 1 1 A 14 14 GLU H H 14 8.460 8.906 -0.446 1
1 70 . 6 1 1 A 14 14 GLU CA C 14 55.233 54.592 0.641 1
1 71 . 6 1 1 A 14 14 GLU HA H 14 4.925 5.412 -0.487 1
1 72 . 6 1 1 A 14 14 GLU CB C 14 32.790 34.181 -1.391 1
1 76 . 6 1 1 A 14 14 GLU C C 14 175.483 175.060 0.423 1
1 79 . 6 1 1 A 15 15 CYS N N 15 126.570 122.613 3.957 1
1 80 . 6 1 1 A 15 15 CYS H H 15 9.293 9.366 -0.073 1
1 81 . 6 1 1 A 15 15 CYS CA C 15 59.368 59.168 0.200 1
1 82 . 6 1 1 A 15 15 CYS HA H 15 4.608 4.675 -0.067 1
1 83 . 6 1 1 A 15 15 CYS CB C 15 29.874 29.152 0.722 1
1 85 . 6 1 1 A 15 15 CYS C C 15 177.332 174.591 2.741 1
1 87 . 6 1 1 A 16 16 ILE N N 16 114.361 128.919 -14.558 1
1 88 . 6 1 1 A 16 16 ILE H H 16 8.857 8.449 0.408 1
1 89 . 6 1 1 A 16 16 ILE CA C 16 63.249 63.184 0.065 1
1 90 . 6 1 1 A 16 16 ILE HA H 16 4.126 4.086 0.040 1
1 91 . 6 1 1 A 16 16 ILE CB C 16 38.266 37.901 0.365 1
1 103 . 6 1 1 A 16 16 ILE C C 16 176.261 177.673 -1.412 1
1 105 . 6 1 1 A 17 17 GLU N N 17 122.365 119.815 2.550 1
1 106 . 6 1 1 A 17 17 GLU H H 17 8.639 8.233 0.406 1
1 107 . 6 1 1 A 17 17 GLU CA C 17 59.363 59.606 -0.243 1
1 108 . 6 1 1 A 17 17 GLU HA H 17 4.154 3.864 0.290 1
1 109 . 6 1 1 A 17 17 GLU CB C 17 29.427 29.014 0.413 1
1 113 . 6 1 1 A 17 17 GLU C C 17 177.603 178.098 -0.495 1
1 116 . 6 1 1 A 18 18 CYS N N 18 114.731 114.778 -0.047 1
1 117 . 6 1 1 A 18 18 CYS H H 18 7.995 7.470 0.525 1
1 118 . 6 1 1 A 18 18 CYS CA C 18 58.612 59.525 -0.913 1
1 119 . 6 1 1 A 18 18 CYS HA H 18 5.146 4.652 0.494 1
1 120 . 6 1 1 A 18 18 CYS CB C 18 32.458 30.117 2.341 1
1 122 . 6 1 1 A 18 18 CYS C C 18 176.248 175.286 0.962 1
1 124 . 6 1 1 A 19 19 GLY N N 19 113.796 109.931 3.865 1
1 125 . 6 1 1 A 19 19 GLY H H 19 8.397 8.420 -0.023 1
1 126 . 6 1 1 A 19 19 GLY CA C 19 46.250 46.188 0.062 1
1 127 . 6 1 1 A 19 19 GLY HA3 H 19 3.882 4.045 -0.163 1
1 128 . 6 1 1 A 19 19 GLY C C 19 173.933 174.018 -0.085 1
1 129 . 6 1 1 A 19 19 GLY HA2 H 19 4.222 4.027 0.195 1
1 130 . 6 1 1 A 20 20 LYS N N 20 122.119 119.160 2.959 1
1 131 . 6 1 1 A 20 20 LYS H H 20 7.887 7.434 0.453 1
1 132 . 6 1 1 A 20 20 LYS CA C 20 57.780 54.258 3.522 1
1 133 . 6 1 1 A 20 20 LYS HA H 20 4.046 4.875 -0.829 1
1 134 . 6 1 1 A 20 20 LYS CB C 20 34.226 36.484 -2.258 1
1 142 . 6 1 1 A 20 20 LYS C C 20 173.634 174.871 -1.237 1
1 147 . 6 1 1 A 21 21 ALA N N 21 122.988 121.088 1.900 1
1 148 . 6 1 1 A 21 21 ALA H H 21 7.852 8.547 -0.695 1
1 149 . 6 1 1 A 21 21 ALA CA C 21 50.531 50.477 0.054 1
1 150 . 6 1 1 A 21 21 ALA HA H 21 5.068 5.347 -0.279 1
1 151 . 6 1 1 A 21 21 ALA CB C 21 21.964 22.949 -0.985 1
1 155 . 6 1 1 A 21 21 ALA C C 21 176.493 175.183 1.310 1
1 156 . 6 1 1 A 22 22 PHE N N 22 117.964 117.470 0.494 1
1 157 . 6 1 1 A 22 22 PHE H H 22 8.646 9.171 -0.525 1
1 158 . 6 1 1 A 22 22 PHE CA C 22 57.636 56.933 0.703 1
1 159 . 6 1 1 A 22 22 PHE HA H 22 4.620 4.937 -0.317 1
1 160 . 6 1 1 A 22 22 PHE CB C 22 43.392 43.681 -0.289 1
1 172 . 6 1 1 A 22 22 PHE C C 22 175.473 175.541 -0.068 1
1 174 . 6 1 1 A 23 23 LYS CA C 23 58.582 58.358 0.224 1
1 175 . 6 1 1 A 23 23 LYS HA H 23 4.413 4.308 0.105 1
1 176 . 6 1 1 A 23 23 LYS CB C 23 34.037 33.462 0.575 1
1 184 . 6 1 1 A 23 23 LYS C C 23 176.876 175.466 1.410 1
1 189 . 6 1 1 A 24 24 THR N N 24 119.640 111.959 7.681 1
1 190 . 6 1 1 A 24 24 THR H H 24 7.250 7.742 -0.492 1
1 191 . 6 1 1 A 24 24 THR CA C 24 58.320 59.332 -1.012 1
1 192 . 6 1 1 A 24 24 THR HA H 24 4.696 4.188 0.508 1
1 193 . 6 1 1 A 24 24 THR CB C 24 72.705 71.076 1.629 1
1 199 . 6 1 1 A 24 24 THR C C 24 173.538 173.011 0.527 1
1 200 . 6 1 1 A 25 25 LYS N N 25 123.935 126.309 -2.374 1
1 201 . 6 1 1 A 25 25 LYS H H 25 8.309 8.436 -0.127 1
1 202 . 6 1 1 A 25 25 LYS CA C 25 58.948 59.489 -0.541 1
1 203 . 6 1 1 A 25 25 LYS HA H 25 3.190 3.665 -0.475 1
1 204 . 6 1 1 A 25 25 LYS CB C 25 31.814 32.193 -0.379 1
1 211 . 6 1 1 A 25 25 LYS C C 25 178.575 178.533 0.042 1
1 216 . 6 1 1 A 26 26 SER N N 26 112.737 116.554 -3.817 1
1 217 . 6 1 1 A 26 26 SER H H 26 8.378 8.022 0.356 1
1 218 . 6 1 1 A 26 26 SER CA C 26 61.462 61.728 -0.266 1
1 219 . 6 1 1 A 26 26 SER HA H 26 4.001 3.989 0.012 1
1 220 . 6 1 1 A 26 26 SER CB C 26 61.997 62.907 -0.910 1
1 222 . 6 1 1 A 26 26 SER C C 26 177.274 176.334 0.940 1
1 224 . 6 1 1 A 27 27 SER N N 27 117.990 116.331 1.659 1
1 225 . 6 1 1 A 27 27 SER H H 27 7.774 7.820 -0.046 1
1 226 . 6 1 1 A 27 27 SER CA C 27 61.787 61.366 0.421 1
1 227 . 6 1 1 A 27 27 SER HA H 27 4.157 4.229 -0.072 1
1 228 . 6 1 1 A 27 27 SER CB C 27 62.739 63.013 -0.274 1
1 230 . 6 1 1 A 27 27 SER C C 27 176.731 177.151 -0.420 1
1 232 . 6 1 1 A 28 28 LEU N N 28 125.136 121.808 3.328 1
1 233 . 6 1 1 A 28 28 LEU H H 28 7.236 7.630 -0.394 1
1 234 . 6 1 1 A 28 28 LEU CA C 28 58.242 58.173 0.069 1
1 235 . 6 1 1 A 28 28 LEU HA H 28 3.274 2.632 0.642 1
1 236 . 6 1 1 A 28 28 LEU CB C 28 40.574 41.678 -1.104 1
1 248 . 6 1 1 A 28 28 LEU C C 28 177.489 178.195 -0.706 1
1 250 . 6 1 1 A 29 29 ILE N N 29 120.340 118.983 1.357 1
1 251 . 6 1 1 A 29 29 ILE H H 29 8.396 8.305 0.091 1
1 252 . 6 1 1 A 29 29 ILE CA C 29 65.377 65.431 -0.054 1
1 253 . 6 1 1 A 29 29 ILE HA H 29 3.486 3.577 -0.091 1
1 254 . 6 1 1 A 29 29 ILE CB C 29 37.558 37.462 0.096 1
1 266 . 6 1 1 A 29 29 ILE C C 29 178.945 177.973 0.972 1
1 268 . 6 1 1 A 30 30 CYS N N 30 117.810 118.168 -0.358 1
1 269 . 6 1 1 A 30 30 CYS H H 30 7.813 8.256 -0.443 1
1 270 . 6 1 1 A 30 30 CYS CA C 30 62.779 63.703 -0.924 1
1 271 . 6 1 1 A 30 30 CYS HA H 30 3.983 3.966 0.017 1
1 272 . 6 1 1 A 30 30 CYS CB C 30 26.511 26.756 -0.245 1
1 274 . 6 1 1 A 30 30 CYS C C 30 177.558 177.068 0.490 1
1 276 . 6 1 1 A 31 31 HIS N N 31 119.264 120.050 -0.786 1
1 277 . 6 1 1 A 31 31 HIS H H 31 7.738 7.739 -0.001 1
1 278 . 6 1 1 A 31 31 HIS CA C 31 59.109 59.509 -0.400 1
1 279 . 6 1 1 A 31 31 HIS HA H 31 4.203 4.116 0.087 1
1 280 . 6 1 1 A 31 31 HIS CB C 31 28.121 29.390 -1.269 1
1 286 . 6 1 1 A 31 31 HIS C C 31 177.945 176.627 1.318 1
1 288 . 6 1 1 A 32 32 ARG N N 32 120.501 117.602 2.899 1
1 289 . 6 1 1 A 32 32 ARG H H 32 8.745 8.442 0.303 1
1 290 . 6 1 1 A 32 32 ARG CA C 32 60.292 59.885 0.407 1
1 291 . 6 1 1 A 32 32 ARG HA H 32 3.640 3.754 -0.114 1
1 292 . 6 1 1 A 32 32 ARG CB C 32 29.469 29.936 -0.467 1
1 298 . 6 1 1 A 32 32 ARG C C 32 178.129 179.183 -1.054 1
1 302 . 6 1 1 A 33 33 ARG N N 33 117.976 119.586 -1.610 1
1 303 . 6 1 1 A 33 33 ARG H H 33 7.283 7.832 -0.549 1
1 304 . 6 1 1 A 33 33 ARG CA C 33 58.703 59.587 -0.884 1
1 305 . 6 1 1 A 33 33 ARG HA H 33 4.154 3.967 0.187 1
1 306 . 6 1 1 A 33 33 ARG CB C 33 29.814 29.837 -0.023 1
1 312 . 6 1 1 A 33 33 ARG C C 33 177.957 179.033 -1.076 1
1 316 . 6 1 1 A 34 34 SER N N 34 113.862 115.029 -1.167 1
1 317 . 6 1 1 A 34 34 SER H H 34 7.841 8.376 -0.535 1
1 318 . 6 1 1 A 34 34 SER CA C 34 60.492 60.978 -0.486 1
1 319 . 6 1 1 A 34 34 SER HA H 34 4.210 4.033 0.177 1
1 320 . 6 1 1 A 34 34 SER CB C 34 63.284 62.859 0.425 1
1 322 . 6 1 1 A 34 34 SER C C 34 175.028 175.644 -0.616 1
1 324 . 6 1 1 A 35 35 HIS N N 35 119.288 117.210 2.078 1
1 325 . 6 1 1 A 35 35 HIS H H 35 7.313 7.597 -0.284 1
1 326 . 6 1 1 A 35 35 HIS CA C 35 55.647 54.272 1.375 1
1 327 . 6 1 1 A 35 35 HIS HA H 35 4.865 4.731 0.134 1
1 328 . 6 1 1 A 35 35 HIS CB C 35 28.882 27.456 1.426 1
1 334 . 6 1 1 A 35 35 HIS C C 35 175.603 176.181 -0.578 1
1 336 . 6 1 1 A 36 36 THR N N 36 112.427 112.372 0.055 1
1 337 . 6 1 1 A 36 36 THR H H 36 7.846 7.894 -0.048 1
1 338 . 6 1 1 A 36 36 THR CA C 36 62.411 65.041 -2.630 1
1 339 . 6 1 1 A 36 36 THR HA H 36 4.372 4.079 0.293 1
1 340 . 6 1 1 A 36 36 THR CB C 36 69.891 68.008 1.883 1
1 346 . 6 1 1 A 36 36 THR C C 36 175.363 175.645 -0.282 1
1 347 . 6 1 1 A 37 37 GLY N N 37 110.984 108.464 2.520 1
1 348 . 6 1 1 A 37 37 GLY H H 37 8.339 7.807 0.532 1
1 349 . 6 1 1 A 37 37 GLY CA C 37 45.387 45.538 -0.151 1
1 350 . 6 1 1 A 37 37 GLY HA3 H 37 3.971 4.184 -0.213 1
1 351 . 6 1 1 A 37 37 GLY C C 37 174.048 173.293 0.755 1
1 352 . 6 1 1 A 37 37 GLY HA2 H 37 3.971 4.180 -0.209 1
1 353 . 6 1 1 A 38 38 GLU N N 38 120.632 124.346 -3.714 1
1 354 . 6 1 1 A 38 38 GLU H H 38 8.114 8.796 -0.682 1
1 355 . 6 1 1 A 38 38 GLU CA C 38 56.455 57.133 -0.678 1
1 356 . 6 1 1 A 38 38 GLU HA H 38 4.249 4.524 -0.275 1
1 357 . 6 1 1 A 38 38 GLU CB C 38 30.579 30.337 0.242 1
1 361 . 6 1 1 A 38 38 GLU C C 38 176.214 175.727 0.487 1
1 364 . 6 1 1 A 39 39 LYS N N 39 123.848 123.845 0.003 1
1 365 . 6 1 1 A 39 39 LYS H H 39 8.429 8.666 -0.237 1
1 366 . 6 1 1 A 39 39 LYS CA C 39 54.125 53.110 1.015 1
1 367 . 6 1 1 A 39 39 LYS HA H 39 4.610 4.954 -0.344 1
1 368 . 6 1 1 A 39 39 LYS CB C 39 32.513 33.874 -1.361 1
1 376 . 6 1 1 A 39 39 LYS C C 39 174.488 174.562 -0.074 1
1 381 . 6 1 1 A 40 40 PRO CA C 40 63.239 62.545 0.694 1
1 382 . 6 1 1 A 40 40 PRO HA H 40 4.464 4.661 -0.197 1
1 383 . 6 1 1 A 40 40 PRO CB C 40 32.143 33.143 -1.000 1
1 392 . 6 1 1 A 43 43 PRO CA C 43 63.278 63.724 -0.446 1
1 393 . 6 1 1 A 43 43 PRO HA H 43 4.481 4.585 -0.104 1
1 394 . 6 1 1 A 43 43 PRO CB C 43 32.178 32.090 0.088 1
1 403 . 6 1 1 A 45 45 SER CA C 45 58.395 56.811 1.584 1
1 404 . 6 1 1 A 45 45 SER HA H 45 4.459 5.262 -0.803 1
1 405 . 6 1 1 A 45 45 SER CB C 45 64.014 65.763 -1.749 1
1 407 . 6 1 1 A 45 45 SER C C 45 173.893 174.103 -0.210 1
1 1 . 7 1 1 A 8 8 THR CA C 8 61.941 62.993 -1.052 1
1 2 . 7 1 1 A 8 8 THR HA H 8 4.370 4.133 0.237 1
1 3 . 7 1 1 A 8 8 THR CB C 8 69.887 66.731 3.156 1
1 8 . 7 1 1 A 9 9 GLY CA C 9 45.384 46.928 -1.544 1
1 9 . 7 1 1 A 9 9 GLY HA3 H 9 3.952 3.956 -0.004 1
1 10 . 7 1 1 A 9 9 GLY C C 9 174.059 174.350 -0.291 1
1 11 . 7 1 1 A 9 9 GLY HA2 H 9 3.952 3.952 0.000 1
1 12 . 7 1 1 A 10 10 GLN N N 10 119.396 124.942 -5.546 1
1 13 . 7 1 1 A 10 10 GLN H H 10 8.197 8.232 -0.035 1
1 14 . 7 1 1 A 10 10 GLN CA C 10 56.099 58.800 -2.701 1
1 15 . 7 1 1 A 10 10 GLN HA H 10 4.254 3.937 0.317 1
1 16 . 7 1 1 A 10 10 GLN CB C 10 29.534 28.840 0.694 1
1 23 . 7 1 1 A 10 10 GLN C C 10 175.906 176.332 -0.426 1
1 26 . 7 1 1 A 11 11 ARG N N 11 122.290 119.203 3.087 1
1 27 . 7 1 1 A 11 11 ARG H H 11 8.323 7.634 0.689 1
1 28 . 7 1 1 A 11 11 ARG CA C 11 53.699 54.525 -0.826 1
1 29 . 7 1 1 A 11 11 ARG HA H 11 4.536 4.418 0.118 1
1 30 . 7 1 1 A 11 11 ARG CB C 11 30.483 29.755 0.728 1
1 36 . 7 1 1 A 11 11 ARG C C 11 173.683 175.891 -2.208 1
1 40 . 7 1 1 A 12 12 PRO CA C 12 63.397 64.670 -1.273 1
1 41 . 7 1 1 A 12 12 PRO HA H 12 4.285 4.295 -0.010 1
1 42 . 7 1 1 A 12 12 PRO CB C 12 32.234 31.729 0.505 1
1 48 . 7 1 1 A 12 12 PRO C C 12 176.232 175.922 0.310 1
1 52 . 7 1 1 A 13 13 TYR N N 13 118.384 117.876 0.508 1
1 53 . 7 1 1 A 13 13 TYR H H 13 8.076 7.490 0.586 1
1 54 . 7 1 1 A 13 13 TYR CA C 13 57.335 56.866 0.469 1
1 55 . 7 1 1 A 13 13 TYR HA H 13 4.617 5.127 -0.510 1
1 56 . 7 1 1 A 13 13 TYR CB C 13 38.356 39.928 -1.572 1
1 66 . 7 1 1 A 13 13 TYR C C 13 174.768 175.306 -0.538 1
1 68 . 7 1 1 A 14 14 GLU N N 14 123.471 123.368 0.103 1
1 69 . 7 1 1 A 14 14 GLU H H 14 8.460 8.968 -0.508 1
1 70 . 7 1 1 A 14 14 GLU CA C 14 55.233 54.697 0.536 1
1 71 . 7 1 1 A 14 14 GLU HA H 14 4.925 5.344 -0.419 1
1 72 . 7 1 1 A 14 14 GLU CB C 14 32.790 33.488 -0.698 1
1 76 . 7 1 1 A 14 14 GLU C C 14 175.483 174.593 0.890 1
1 79 . 7 1 1 A 15 15 CYS N N 15 126.570 119.512 7.058 1
1 80 . 7 1 1 A 15 15 CYS H H 15 9.293 9.140 0.153 1
1 81 . 7 1 1 A 15 15 CYS CA C 15 59.368 57.386 1.982 1
1 82 . 7 1 1 A 15 15 CYS HA H 15 4.608 5.141 -0.533 1
1 83 . 7 1 1 A 15 15 CYS CB C 15 29.874 30.842 -0.968 1
1 85 . 7 1 1 A 15 15 CYS C C 15 177.332 174.528 2.804 1
1 87 . 7 1 1 A 16 16 ILE N N 16 114.361 127.265 -12.904 1
1 88 . 7 1 1 A 16 16 ILE H H 16 8.857 8.554 0.303 1
1 89 . 7 1 1 A 16 16 ILE CA C 16 63.249 63.225 0.024 1
1 90 . 7 1 1 A 16 16 ILE HA H 16 4.126 4.234 -0.108 1
1 91 . 7 1 1 A 16 16 ILE CB C 16 38.266 38.807 -0.541 1
1 103 . 7 1 1 A 16 16 ILE C C 16 176.261 177.726 -1.465 1
1 105 . 7 1 1 A 17 17 GLU N N 17 122.365 119.744 2.621 1
1 106 . 7 1 1 A 17 17 GLU H H 17 8.639 8.243 0.396 1
1 107 . 7 1 1 A 17 17 GLU CA C 17 59.363 59.730 -0.367 1
1 108 . 7 1 1 A 17 17 GLU HA H 17 4.154 3.952 0.202 1
1 109 . 7 1 1 A 17 17 GLU CB C 17 29.427 29.297 0.130 1
1 113 . 7 1 1 A 17 17 GLU C C 17 177.603 177.954 -0.351 1
1 116 . 7 1 1 A 18 18 CYS N N 18 114.731 114.818 -0.087 1
1 117 . 7 1 1 A 18 18 CYS H H 18 7.995 7.634 0.361 1
1 118 . 7 1 1 A 18 18 CYS CA C 18 58.612 59.603 -0.991 1
1 119 . 7 1 1 A 18 18 CYS HA H 18 5.146 4.612 0.534 1
1 120 . 7 1 1 A 18 18 CYS CB C 18 32.458 29.939 2.519 1
1 122 . 7 1 1 A 18 18 CYS C C 18 176.248 175.521 0.727 1
1 124 . 7 1 1 A 19 19 GLY N N 19 113.796 109.805 3.991 1
1 125 . 7 1 1 A 19 19 GLY H H 19 8.397 8.574 -0.177 1
1 126 . 7 1 1 A 19 19 GLY CA C 19 46.250 46.284 -0.034 1
1 127 . 7 1 1 A 19 19 GLY HA3 H 19 3.882 4.006 -0.124 1
1 128 . 7 1 1 A 19 19 GLY C C 19 173.933 173.763 0.170 1
1 129 . 7 1 1 A 19 19 GLY HA2 H 19 4.222 3.980 0.242 1
1 130 . 7 1 1 A 20 20 LYS N N 20 122.119 120.680 1.439 1
1 131 . 7 1 1 A 20 20 LYS H H 20 7.887 7.877 0.010 1
1 132 . 7 1 1 A 20 20 LYS CA C 20 57.780 54.934 2.846 1
1 133 . 7 1 1 A 20 20 LYS HA H 20 4.046 4.925 -0.879 1
1 134 . 7 1 1 A 20 20 LYS CB C 20 34.226 36.240 -2.014 1
1 142 . 7 1 1 A 20 20 LYS C C 20 173.634 173.803 -0.169 1
1 147 . 7 1 1 A 21 21 ALA N N 21 122.988 126.746 -3.758 1
1 148 . 7 1 1 A 21 21 ALA H H 21 7.852 8.573 -0.721 1
1 149 . 7 1 1 A 21 21 ALA CA C 21 50.531 49.933 0.598 1
1 150 . 7 1 1 A 21 21 ALA HA H 21 5.068 5.614 -0.546 1
1 151 . 7 1 1 A 21 21 ALA CB C 21 21.964 21.922 0.042 1
1 155 . 7 1 1 A 21 21 ALA C C 21 176.493 175.843 0.650 1
1 156 . 7 1 1 A 22 22 PHE N N 22 117.964 119.583 -1.619 1
1 157 . 7 1 1 A 22 22 PHE H H 22 8.646 9.307 -0.661 1
1 158 . 7 1 1 A 22 22 PHE CA C 22 57.636 56.469 1.167 1
1 159 . 7 1 1 A 22 22 PHE HA H 22 4.620 4.958 -0.338 1
1 160 . 7 1 1 A 22 22 PHE CB C 22 43.392 42.636 0.756 1
1 172 . 7 1 1 A 22 22 PHE C C 22 175.473 176.123 -0.650 1
1 174 . 7 1 1 A 23 23 LYS CA C 23 58.582 58.217 0.365 1
1 175 . 7 1 1 A 23 23 LYS HA H 23 4.413 4.368 0.045 1
1 176 . 7 1 1 A 23 23 LYS CB C 23 34.037 33.224 0.813 1
1 184 . 7 1 1 A 23 23 LYS C C 23 176.876 176.799 0.077 1
1 189 . 7 1 1 A 24 24 THR N N 24 119.640 111.819 7.821 1
1 190 . 7 1 1 A 24 24 THR H H 24 7.250 7.831 -0.581 1
1 191 . 7 1 1 A 24 24 THR CA C 24 58.320 59.869 -1.549 1
1 192 . 7 1 1 A 24 24 THR HA H 24 4.696 4.885 -0.189 1
1 193 . 7 1 1 A 24 24 THR CB C 24 72.705 71.342 1.363 1
1 199 . 7 1 1 A 24 24 THR C C 24 173.538 174.854 -1.316 1
1 200 . 7 1 1 A 25 25 LYS N N 25 123.935 123.358 0.577 1
1 201 . 7 1 1 A 25 25 LYS H H 25 8.309 8.009 0.300 1
1 202 . 7 1 1 A 25 25 LYS CA C 25 58.948 59.754 -0.806 1
1 203 . 7 1 1 A 25 25 LYS HA H 25 3.190 3.361 -0.171 1
1 204 . 7 1 1 A 25 25 LYS CB C 25 31.814 31.208 0.606 1
1 211 . 7 1 1 A 25 25 LYS C C 25 178.575 177.985 0.590 1
1 216 . 7 1 1 A 26 26 SER N N 26 112.737 117.189 -4.452 1
1 217 . 7 1 1 A 26 26 SER H H 26 8.378 7.857 0.521 1
1 218 . 7 1 1 A 26 26 SER CA C 26 61.462 61.767 -0.305 1
1 219 . 7 1 1 A 26 26 SER HA H 26 4.001 4.011 -0.010 1
1 220 . 7 1 1 A 26 26 SER CB C 26 61.997 62.952 -0.955 1
1 222 . 7 1 1 A 26 26 SER C C 26 177.274 176.675 0.599 1
1 224 . 7 1 1 A 27 27 SER N N 27 117.990 117.496 0.494 1
1 225 . 7 1 1 A 27 27 SER H H 27 7.774 7.857 -0.083 1
1 226 . 7 1 1 A 27 27 SER CA C 27 61.787 62.195 -0.408 1
1 227 . 7 1 1 A 27 27 SER HA H 27 4.157 3.997 0.160 1
1 228 . 7 1 1 A 27 27 SER CB C 27 62.739 62.980 -0.241 1
1 230 . 7 1 1 A 27 27 SER C C 27 176.731 176.090 0.641 1
1 232 . 7 1 1 A 28 28 LEU N N 28 125.136 122.157 2.979 1
1 233 . 7 1 1 A 28 28 LEU H H 28 7.236 7.565 -0.329 1
1 234 . 7 1 1 A 28 28 LEU CA C 28 58.242 57.815 0.427 1
1 235 . 7 1 1 A 28 28 LEU HA H 28 3.274 3.075 0.199 1
1 236 . 7 1 1 A 28 28 LEU CB C 28 40.574 41.728 -1.154 1
1 248 . 7 1 1 A 28 28 LEU C C 28 177.489 178.443 -0.954 1
1 250 . 7 1 1 A 29 29 ILE N N 29 120.340 119.377 0.963 1
1 251 . 7 1 1 A 29 29 ILE H H 29 8.396 8.267 0.129 1
1 252 . 7 1 1 A 29 29 ILE CA C 29 65.377 65.389 -0.012 1
1 253 . 7 1 1 A 29 29 ILE HA H 29 3.486 3.574 -0.088 1
1 254 . 7 1 1 A 29 29 ILE CB C 29 37.558 37.783 -0.225 1
1 266 . 7 1 1 A 29 29 ILE C C 29 178.945 178.073 0.872 1
1 268 . 7 1 1 A 30 30 CYS N N 30 117.810 120.867 -3.057 1
1 269 . 7 1 1 A 30 30 CYS H H 30 7.813 7.744 0.069 1
1 270 . 7 1 1 A 30 30 CYS CA C 30 62.779 62.890 -0.111 1
1 271 . 7 1 1 A 30 30 CYS HA H 30 3.983 3.960 0.023 1
1 272 . 7 1 1 A 30 30 CYS CB C 30 26.511 26.469 0.042 1
1 274 . 7 1 1 A 30 30 CYS C C 30 177.558 176.523 1.035 1
1 276 . 7 1 1 A 31 31 HIS N N 31 119.264 119.741 -0.477 1
1 277 . 7 1 1 A 31 31 HIS H H 31 7.738 7.899 -0.161 1
1 278 . 7 1 1 A 31 31 HIS CA C 31 59.109 59.739 -0.630 1
1 279 . 7 1 1 A 31 31 HIS HA H 31 4.203 4.077 0.126 1
1 280 . 7 1 1 A 31 31 HIS CB C 31 28.121 29.143 -1.022 1
1 286 . 7 1 1 A 31 31 HIS C C 31 177.945 177.022 0.923 1
1 288 . 7 1 1 A 32 32 ARG N N 32 120.501 118.274 2.227 1
1 289 . 7 1 1 A 32 32 ARG H H 32 8.745 8.289 0.456 1
1 290 . 7 1 1 A 32 32 ARG CA C 32 60.292 59.518 0.774 1
1 291 . 7 1 1 A 32 32 ARG HA H 32 3.640 3.625 0.015 1
1 292 . 7 1 1 A 32 32 ARG CB C 32 29.469 30.023 -0.554 1
1 298 . 7 1 1 A 32 32 ARG C C 32 178.129 179.035 -0.906 1
1 302 . 7 1 1 A 33 33 ARG N N 33 117.976 119.596 -1.620 1
1 303 . 7 1 1 A 33 33 ARG H H 33 7.283 7.474 -0.191 1
1 304 . 7 1 1 A 33 33 ARG CA C 33 58.703 59.593 -0.890 1
1 305 . 7 1 1 A 33 33 ARG HA H 33 4.154 3.970 0.184 1
1 306 . 7 1 1 A 33 33 ARG CB C 33 29.814 29.774 0.040 1
1 312 . 7 1 1 A 33 33 ARG C C 33 177.957 178.695 -0.738 1
1 316 . 7 1 1 A 34 34 SER N N 34 113.862 115.189 -1.327 1
1 317 . 7 1 1 A 34 34 SER H H 34 7.841 7.354 0.487 1
1 318 . 7 1 1 A 34 34 SER CA C 34 60.492 61.694 -1.202 1
1 319 . 7 1 1 A 34 34 SER HA H 34 4.210 4.077 0.133 1
1 320 . 7 1 1 A 34 34 SER CB C 34 63.284 62.949 0.335 1
1 322 . 7 1 1 A 34 34 SER C C 34 175.028 177.182 -2.154 1
1 324 . 7 1 1 A 35 35 HIS N N 35 119.288 118.994 0.294 1
1 325 . 7 1 1 A 35 35 HIS H H 35 7.313 7.247 0.066 1
1 326 . 7 1 1 A 35 35 HIS CA C 35 55.647 59.069 -3.422 1
1 327 . 7 1 1 A 35 35 HIS HA H 35 4.865 4.279 0.586 1
1 328 . 7 1 1 A 35 35 HIS CB C 35 28.882 29.816 -0.934 1
1 334 . 7 1 1 A 35 35 HIS C C 35 175.603 176.239 -0.636 1
1 336 . 7 1 1 A 36 36 THR N N 36 112.427 111.998 0.429 1
1 337 . 7 1 1 A 36 36 THR H H 36 7.846 7.838 0.008 1
1 338 . 7 1 1 A 36 36 THR CA C 36 62.411 63.721 -1.310 1
1 339 . 7 1 1 A 36 36 THR HA H 36 4.372 4.006 0.366 1
1 340 . 7 1 1 A 36 36 THR CB C 36 69.891 69.196 0.695 1
1 346 . 7 1 1 A 36 36 THR C C 36 175.363 175.370 -0.007 1
1 347 . 7 1 1 A 37 37 GLY N N 37 110.984 115.676 -4.692 1
1 348 . 7 1 1 A 37 37 GLY H H 37 8.339 8.731 -0.392 1
1 349 . 7 1 1 A 37 37 GLY CA C 37 45.387 45.188 0.199 1
1 350 . 7 1 1 A 37 37 GLY HA3 H 37 3.971 4.058 -0.087 1
1 351 . 7 1 1 A 37 37 GLY C C 37 174.048 173.670 0.378 1
1 352 . 7 1 1 A 37 37 GLY HA2 H 37 3.971 4.058 -0.087 1
1 353 . 7 1 1 A 38 38 GLU N N 38 120.632 119.547 1.085 1
1 354 . 7 1 1 A 38 38 GLU H H 38 8.114 8.003 0.111 1
1 355 . 7 1 1 A 38 38 GLU CA C 38 56.455 54.481 1.974 1
1 356 . 7 1 1 A 38 38 GLU HA H 38 4.249 4.807 -0.558 1
1 357 . 7 1 1 A 38 38 GLU CB C 38 30.579 33.420 -2.841 1
1 361 . 7 1 1 A 38 38 GLU C C 38 176.214 176.148 0.066 1
1 364 . 7 1 1 A 39 39 LYS N N 39 123.848 123.177 0.671 1
1 365 . 7 1 1 A 39 39 LYS H H 39 8.429 8.375 0.054 1
1 366 . 7 1 1 A 39 39 LYS CA C 39 54.125 55.238 -1.113 1
1 367 . 7 1 1 A 39 39 LYS HA H 39 4.610 4.331 0.279 1
1 368 . 7 1 1 A 39 39 LYS CB C 39 32.513 32.419 0.094 1
1 376 . 7 1 1 A 39 39 LYS C C 39 174.488 175.922 -1.434 1
1 381 . 7 1 1 A 40 40 PRO CA C 40 63.239 62.942 0.297 1
1 382 . 7 1 1 A 40 40 PRO HA H 40 4.464 4.457 0.007 1
1 383 . 7 1 1 A 40 40 PRO CB C 40 32.143 32.179 -0.036 1
1 392 . 7 1 1 A 43 43 PRO CA C 43 63.278 62.570 0.708 1
1 393 . 7 1 1 A 43 43 PRO HA H 43 4.481 4.777 -0.296 1
1 394 . 7 1 1 A 43 43 PRO CB C 43 32.178 31.000 1.178 1
1 403 . 7 1 1 A 45 45 SER CA C 45 58.395 57.497 0.898 1
1 404 . 7 1 1 A 45 45 SER HA H 45 4.459 4.970 -0.511 1
1 405 . 7 1 1 A 45 45 SER CB C 45 64.014 65.627 -1.613 1
1 407 . 7 1 1 A 45 45 SER C C 45 173.893 172.846 1.047 1
1 1 . 8 1 1 A 8 8 THR CA C 8 61.941 62.552 -0.611 1
1 2 . 8 1 1 A 8 8 THR HA H 8 4.370 4.460 -0.090 1
1 3 . 8 1 1 A 8 8 THR CB C 8 69.887 70.740 -0.853 1
1 8 . 8 1 1 A 9 9 GLY CA C 9 45.384 45.452 -0.068 1
1 9 . 8 1 1 A 9 9 GLY HA3 H 9 3.952 3.956 -0.004 1
1 10 . 8 1 1 A 9 9 GLY C C 9 174.059 175.179 -1.120 1
1 11 . 8 1 1 A 9 9 GLY HA2 H 9 3.952 3.954 -0.002 1
1 12 . 8 1 1 A 10 10 GLN N N 10 119.396 121.260 -1.864 1
1 13 . 8 1 1 A 10 10 GLN H H 10 8.197 7.998 0.199 1
1 14 . 8 1 1 A 10 10 GLN CA C 10 56.099 59.062 -2.963 1
1 15 . 8 1 1 A 10 10 GLN HA H 10 4.254 4.023 0.231 1
1 16 . 8 1 1 A 10 10 GLN CB C 10 29.534 28.584 0.950 1
1 23 . 8 1 1 A 10 10 GLN C C 10 175.906 175.609 0.297 1
1 26 . 8 1 1 A 11 11 ARG N N 11 122.290 117.503 4.787 1
1 27 . 8 1 1 A 11 11 ARG H H 11 8.323 7.943 0.380 1
1 28 . 8 1 1 A 11 11 ARG CA C 11 53.699 53.390 0.309 1
1 29 . 8 1 1 A 11 11 ARG HA H 11 4.536 4.545 -0.009 1
1 30 . 8 1 1 A 11 11 ARG CB C 11 30.483 30.413 0.070 1
1 36 . 8 1 1 A 11 11 ARG C C 11 173.683 175.865 -2.182 1
1 40 . 8 1 1 A 12 12 PRO CA C 12 63.397 64.427 -1.030 1
1 41 . 8 1 1 A 12 12 PRO HA H 12 4.285 4.329 -0.044 1
1 42 . 8 1 1 A 12 12 PRO CB C 12 32.234 31.700 0.534 1
1 48 . 8 1 1 A 12 12 PRO C C 12 176.232 175.853 0.379 1
1 52 . 8 1 1 A 13 13 TYR N N 13 118.384 117.581 0.803 1
1 53 . 8 1 1 A 13 13 TYR H H 13 8.076 7.791 0.285 1
1 54 . 8 1 1 A 13 13 TYR CA C 13 57.335 56.633 0.702 1
1 55 . 8 1 1 A 13 13 TYR HA H 13 4.617 4.987 -0.370 1
1 56 . 8 1 1 A 13 13 TYR CB C 13 38.356 38.883 -0.527 1
1 66 . 8 1 1 A 13 13 TYR C C 13 174.768 175.313 -0.545 1
1 68 . 8 1 1 A 14 14 GLU N N 14 123.471 121.030 2.441 1
1 69 . 8 1 1 A 14 14 GLU H H 14 8.460 9.033 -0.573 1
1 70 . 8 1 1 A 14 14 GLU CA C 14 55.233 54.490 0.743 1
1 71 . 8 1 1 A 14 14 GLU HA H 14 4.925 5.233 -0.308 1
1 72 . 8 1 1 A 14 14 GLU CB C 14 32.790 33.698 -0.908 1
1 76 . 8 1 1 A 14 14 GLU C C 14 175.483 174.304 1.179 1
1 79 . 8 1 1 A 15 15 CYS N N 15 126.570 120.243 6.327 1
1 80 . 8 1 1 A 15 15 CYS H H 15 9.293 9.236 0.057 1
1 81 . 8 1 1 A 15 15 CYS CA C 15 59.368 57.388 1.980 1
1 82 . 8 1 1 A 15 15 CYS HA H 15 4.608 5.019 -0.411 1
1 83 . 8 1 1 A 15 15 CYS CB C 15 29.874 30.389 -0.515 1
1 85 . 8 1 1 A 15 15 CYS C C 15 177.332 174.562 2.770 1
1 87 . 8 1 1 A 16 16 ILE N N 16 114.361 125.587 -11.226 1
1 88 . 8 1 1 A 16 16 ILE H H 16 8.857 8.860 -0.003 1
1 89 . 8 1 1 A 16 16 ILE CA C 16 63.249 61.861 1.388 1
1 90 . 8 1 1 A 16 16 ILE HA H 16 4.126 4.403 -0.277 1
1 91 . 8 1 1 A 16 16 ILE CB C 16 38.266 40.426 -2.160 1
1 103 . 8 1 1 A 16 16 ILE C C 16 176.261 177.699 -1.438 1
1 105 . 8 1 1 A 17 17 GLU N N 17 122.365 122.284 0.081 1
1 106 . 8 1 1 A 17 17 GLU H H 17 8.639 7.863 0.776 1
1 107 . 8 1 1 A 17 17 GLU CA C 17 59.363 59.616 -0.253 1
1 108 . 8 1 1 A 17 17 GLU HA H 17 4.154 3.905 0.249 1
1 109 . 8 1 1 A 17 17 GLU CB C 17 29.427 29.017 0.410 1
1 113 . 8 1 1 A 17 17 GLU C C 17 177.603 178.250 -0.647 1
1 116 . 8 1 1 A 18 18 CYS N N 18 114.731 115.073 -0.342 1
1 117 . 8 1 1 A 18 18 CYS H H 18 7.995 7.477 0.518 1
1 118 . 8 1 1 A 18 18 CYS CA C 18 58.612 59.746 -1.134 1
1 119 . 8 1 1 A 18 18 CYS HA H 18 5.146 4.648 0.498 1
1 120 . 8 1 1 A 18 18 CYS CB C 18 32.458 29.637 2.821 1
1 122 . 8 1 1 A 18 18 CYS C C 18 176.248 175.355 0.893 1
1 124 . 8 1 1 A 19 19 GLY N N 19 113.796 109.496 4.300 1
1 125 . 8 1 1 A 19 19 GLY H H 19 8.397 8.384 0.013 1
1 126 . 8 1 1 A 19 19 GLY CA C 19 46.250 46.098 0.152 1
1 127 . 8 1 1 A 19 19 GLY HA3 H 19 3.882 4.078 -0.196 1
1 128 . 8 1 1 A 19 19 GLY C C 19 173.933 174.163 -0.230 1
1 129 . 8 1 1 A 19 19 GLY HA2 H 19 4.222 4.062 0.160 1
1 130 . 8 1 1 A 20 20 LYS N N 20 122.119 119.524 2.595 1
1 131 . 8 1 1 A 20 20 LYS H H 20 7.887 7.749 0.138 1
1 132 . 8 1 1 A 20 20 LYS CA C 20 57.780 54.427 3.353 1
1 133 . 8 1 1 A 20 20 LYS HA H 20 4.046 4.733 -0.687 1
1 134 . 8 1 1 A 20 20 LYS CB C 20 34.226 35.337 -1.111 1
1 142 . 8 1 1 A 20 20 LYS C C 20 173.634 174.830 -1.196 1
1 147 . 8 1 1 A 21 21 ALA N N 21 122.988 127.898 -4.910 1
1 148 . 8 1 1 A 21 21 ALA H H 21 7.852 8.818 -0.966 1
1 149 . 8 1 1 A 21 21 ALA CA C 21 50.531 50.866 -0.335 1
1 150 . 8 1 1 A 21 21 ALA HA H 21 5.068 5.325 -0.257 1
1 151 . 8 1 1 A 21 21 ALA CB C 21 21.964 21.405 0.559 1
1 155 . 8 1 1 A 21 21 ALA C C 21 176.493 176.472 0.021 1
1 156 . 8 1 1 A 22 22 PHE N N 22 117.964 117.598 0.366 1
1 157 . 8 1 1 A 22 22 PHE H H 22 8.646 9.234 -0.588 1
1 158 . 8 1 1 A 22 22 PHE CA C 22 57.636 56.949 0.687 1
1 159 . 8 1 1 A 22 22 PHE HA H 22 4.620 4.904 -0.284 1
1 160 . 8 1 1 A 22 22 PHE CB C 22 43.392 43.664 -0.272 1
1 172 . 8 1 1 A 22 22 PHE C C 22 175.473 175.487 -0.014 1
1 174 . 8 1 1 A 23 23 LYS CA C 23 58.582 56.998 1.584 1
1 175 . 8 1 1 A 23 23 LYS HA H 23 4.413 4.635 -0.222 1
1 176 . 8 1 1 A 23 23 LYS CB C 23 34.037 33.994 0.043 1
1 184 . 8 1 1 A 23 23 LYS C C 23 176.876 176.292 0.584 1
1 189 . 8 1 1 A 24 24 THR N N 24 119.640 109.732 9.908 1
1 190 . 8 1 1 A 24 24 THR H H 24 7.250 7.584 -0.334 1
1 191 . 8 1 1 A 24 24 THR CA C 24 58.320 59.914 -1.594 1
1 192 . 8 1 1 A 24 24 THR HA H 24 4.696 4.596 0.100 1
1 193 . 8 1 1 A 24 24 THR CB C 24 72.705 71.941 0.764 1
1 199 . 8 1 1 A 24 24 THR C C 24 173.538 174.489 -0.951 1
1 200 . 8 1 1 A 25 25 LYS N N 25 123.935 123.127 0.808 1
1 201 . 8 1 1 A 25 25 LYS H H 25 8.309 7.957 0.352 1
1 202 . 8 1 1 A 25 25 LYS CA C 25 58.948 59.712 -0.764 1
1 203 . 8 1 1 A 25 25 LYS HA H 25 3.190 3.491 -0.301 1
1 204 . 8 1 1 A 25 25 LYS CB C 25 31.814 31.855 -0.041 1
1 211 . 8 1 1 A 25 25 LYS C C 25 178.575 178.001 0.574 1
1 216 . 8 1 1 A 26 26 SER N N 26 112.737 115.177 -2.440 1
1 217 . 8 1 1 A 26 26 SER H H 26 8.378 8.127 0.251 1
1 218 . 8 1 1 A 26 26 SER CA C 26 61.462 62.142 -0.680 1
1 219 . 8 1 1 A 26 26 SER HA H 26 4.001 4.058 -0.057 1
1 220 . 8 1 1 A 26 26 SER CB C 26 61.997 62.531 -0.534 1
1 222 . 8 1 1 A 26 26 SER C C 26 177.274 176.529 0.745 1
1 224 . 8 1 1 A 27 27 SER N N 27 117.990 116.288 1.702 1
1 225 . 8 1 1 A 27 27 SER H H 27 7.774 8.118 -0.344 1
1 226 . 8 1 1 A 27 27 SER CA C 27 61.787 62.350 -0.563 1
1 227 . 8 1 1 A 27 27 SER HA H 27 4.157 4.117 0.040 1
1 228 . 8 1 1 A 27 27 SER CB C 27 62.739 63.035 -0.296 1
1 230 . 8 1 1 A 27 27 SER C C 27 176.731 175.606 1.125 1
1 232 . 8 1 1 A 28 28 LEU N N 28 125.136 121.292 3.844 1
1 233 . 8 1 1 A 28 28 LEU H H 28 7.236 7.931 -0.695 1
1 234 . 8 1 1 A 28 28 LEU CA C 28 58.242 57.069 1.173 1
1 235 . 8 1 1 A 28 28 LEU HA H 28 3.274 2.997 0.277 1
1 236 . 8 1 1 A 28 28 LEU CB C 28 40.574 41.384 -0.810 1
1 248 . 8 1 1 A 28 28 LEU C C 28 177.489 178.462 -0.973 1
1 250 . 8 1 1 A 29 29 ILE N N 29 120.340 118.614 1.726 1
1 251 . 8 1 1 A 29 29 ILE H H 29 8.396 8.206 0.190 1
1 252 . 8 1 1 A 29 29 ILE CA C 29 65.377 65.200 0.177 1
1 253 . 8 1 1 A 29 29 ILE HA H 29 3.486 3.460 0.026 1
1 254 . 8 1 1 A 29 29 ILE CB C 29 37.558 37.476 0.082 1
1 266 . 8 1 1 A 29 29 ILE C C 29 178.945 177.801 1.144 1
1 268 . 8 1 1 A 30 30 CYS N N 30 117.810 120.594 -2.784 1
1 269 . 8 1 1 A 30 30 CYS H H 30 7.813 7.834 -0.021 1
1 270 . 8 1 1 A 30 30 CYS CA C 30 62.779 63.137 -0.358 1
1 271 . 8 1 1 A 30 30 CYS HA H 30 3.983 3.871 0.112 1
1 272 . 8 1 1 A 30 30 CYS CB C 30 26.511 26.741 -0.230 1
1 274 . 8 1 1 A 30 30 CYS C C 30 177.558 177.428 0.130 1
1 276 . 8 1 1 A 31 31 HIS N N 31 119.264 120.064 -0.800 1
1 277 . 8 1 1 A 31 31 HIS H H 31 7.738 7.766 -0.028 1
1 278 . 8 1 1 A 31 31 HIS CA C 31 59.109 59.269 -0.160 1
1 279 . 8 1 1 A 31 31 HIS HA H 31 4.203 4.094 0.109 1
1 280 . 8 1 1 A 31 31 HIS CB C 31 28.121 29.877 -1.756 1
1 286 . 8 1 1 A 31 31 HIS C C 31 177.945 177.306 0.639 1
1 288 . 8 1 1 A 32 32 ARG N N 32 120.501 119.259 1.242 1
1 289 . 8 1 1 A 32 32 ARG H H 32 8.745 8.524 0.221 1
1 290 . 8 1 1 A 32 32 ARG CA C 32 60.292 59.740 0.552 1
1 291 . 8 1 1 A 32 32 ARG HA H 32 3.640 3.928 -0.288 1
1 292 . 8 1 1 A 32 32 ARG CB C 32 29.469 30.113 -0.644 1
1 298 . 8 1 1 A 32 32 ARG C C 32 178.129 178.661 -0.532 1
1 302 . 8 1 1 A 33 33 ARG N N 33 117.976 118.648 -0.672 1
1 303 . 8 1 1 A 33 33 ARG H H 33 7.283 8.442 -1.159 1
1 304 . 8 1 1 A 33 33 ARG CA C 33 58.703 58.584 0.119 1
1 305 . 8 1 1 A 33 33 ARG HA H 33 4.154 4.082 0.072 1
1 306 . 8 1 1 A 33 33 ARG CB C 33 29.814 29.937 -0.123 1
1 312 . 8 1 1 A 33 33 ARG C C 33 177.957 178.445 -0.488 1
1 316 . 8 1 1 A 34 34 SER N N 34 113.862 115.181 -1.319 1
1 317 . 8 1 1 A 34 34 SER H H 34 7.841 7.576 0.265 1
1 318 . 8 1 1 A 34 34 SER CA C 34 60.492 61.388 -0.896 1
1 319 . 8 1 1 A 34 34 SER HA H 34 4.210 4.128 0.082 1
1 320 . 8 1 1 A 34 34 SER CB C 34 63.284 62.875 0.409 1
1 322 . 8 1 1 A 34 34 SER C C 34 175.028 177.210 -2.182 1
1 324 . 8 1 1 A 35 35 HIS N N 35 119.288 120.016 -0.728 1
1 325 . 8 1 1 A 35 35 HIS H H 35 7.313 7.666 -0.353 1
1 326 . 8 1 1 A 35 35 HIS CA C 35 55.647 59.278 -3.631 1
1 327 . 8 1 1 A 35 35 HIS HA H 35 4.865 4.330 0.535 1
1 328 . 8 1 1 A 35 35 HIS CB C 35 28.882 29.768 -0.886 1
1 334 . 8 1 1 A 35 35 HIS C C 35 175.603 175.877 -0.274 1
1 336 . 8 1 1 A 36 36 THR N N 36 112.427 107.103 5.324 1
1 337 . 8 1 1 A 36 36 THR H H 36 7.846 7.378 0.468 1
1 338 . 8 1 1 A 36 36 THR CA C 36 62.411 61.086 1.325 1
1 339 . 8 1 1 A 36 36 THR HA H 36 4.372 4.414 -0.042 1
1 340 . 8 1 1 A 36 36 THR CB C 36 69.891 68.825 1.066 1
1 346 . 8 1 1 A 36 36 THR C C 36 175.363 174.988 0.375 1
1 347 . 8 1 1 A 37 37 GLY N N 37 110.984 112.595 -1.611 1
1 348 . 8 1 1 A 37 37 GLY H H 37 8.339 8.886 -0.547 1
1 349 . 8 1 1 A 37 37 GLY CA C 37 45.387 45.871 -0.484 1
1 350 . 8 1 1 A 37 37 GLY HA3 H 37 3.971 4.118 -0.147 1
1 351 . 8 1 1 A 37 37 GLY C C 37 174.048 173.758 0.290 1
1 352 . 8 1 1 A 37 37 GLY HA2 H 37 3.971 4.117 -0.146 1
1 353 . 8 1 1 A 38 38 GLU N N 38 120.632 117.326 3.306 1
1 354 . 8 1 1 A 38 38 GLU H H 38 8.114 7.732 0.382 1
1 355 . 8 1 1 A 38 38 GLU CA C 38 56.455 55.235 1.220 1
1 356 . 8 1 1 A 38 38 GLU HA H 38 4.249 4.637 -0.388 1
1 357 . 8 1 1 A 38 38 GLU CB C 38 30.579 32.776 -2.197 1
1 361 . 8 1 1 A 38 38 GLU C C 38 176.214 174.381 1.833 1
1 364 . 8 1 1 A 39 39 LYS N N 39 123.848 122.787 1.061 1
1 365 . 8 1 1 A 39 39 LYS H H 39 8.429 8.840 -0.411 1
1 366 . 8 1 1 A 39 39 LYS CA C 39 54.125 53.310 0.815 1
1 367 . 8 1 1 A 39 39 LYS HA H 39 4.610 4.674 -0.064 1
1 368 . 8 1 1 A 39 39 LYS CB C 39 32.513 32.213 0.300 1
1 376 . 8 1 1 A 39 39 LYS C C 39 174.488 176.323 -1.835 1
1 381 . 8 1 1 A 40 40 PRO CA C 40 63.239 64.180 -0.941 1
1 382 . 8 1 1 A 40 40 PRO HA H 40 4.464 4.498 -0.034 1
1 383 . 8 1 1 A 40 40 PRO CB C 40 32.143 31.634 0.509 1
1 392 . 8 1 1 A 43 43 PRO CA C 43 63.278 62.511 0.767 1
1 393 . 8 1 1 A 43 43 PRO HA H 43 4.481 4.536 -0.055 1
1 394 . 8 1 1 A 43 43 PRO CB C 43 32.178 33.043 -0.865 1
1 403 . 8 1 1 A 45 45 SER CA C 45 58.395 56.119 2.276 1
1 404 . 8 1 1 A 45 45 SER HA H 45 4.459 4.741 -0.282 1
1 405 . 8 1 1 A 45 45 SER CB C 45 64.014 65.145 -1.131 1
1 407 . 8 1 1 A 45 45 SER C C 45 173.893 175.470 -1.577 1
1 1 . 9 1 1 A 8 8 THR CA C 8 61.941 62.566 -0.625 1
1 2 . 9 1 1 A 8 8 THR HA H 8 4.370 4.267 0.103 1
1 3 . 9 1 1 A 8 8 THR CB C 8 69.887 69.269 0.618 1
1 8 . 9 1 1 A 9 9 GLY CA C 9 45.384 45.557 -0.173 1
1 9 . 9 1 1 A 9 9 GLY HA3 H 9 3.952 4.266 -0.314 1
1 10 . 9 1 1 A 9 9 GLY C C 9 174.059 174.405 -0.346 1
1 11 . 9 1 1 A 9 9 GLY HA2 H 9 3.952 4.265 -0.313 1
1 12 . 9 1 1 A 10 10 GLN N N 10 119.396 118.999 0.397 1
1 13 . 9 1 1 A 10 10 GLN H H 10 8.197 8.428 -0.231 1
1 14 . 9 1 1 A 10 10 GLN CA C 10 56.099 57.304 -1.205 1
1 15 . 9 1 1 A 10 10 GLN HA H 10 4.254 4.270 -0.016 1
1 16 . 9 1 1 A 10 10 GLN CB C 10 29.534 29.955 -0.421 1
1 23 . 9 1 1 A 10 10 GLN C C 10 175.906 176.269 -0.363 1
1 26 . 9 1 1 A 11 11 ARG N N 11 122.290 118.374 3.916 1
1 27 . 9 1 1 A 11 11 ARG H H 11 8.323 7.624 0.699 1
1 28 . 9 1 1 A 11 11 ARG CA C 11 53.699 53.281 0.418 1
1 29 . 9 1 1 A 11 11 ARG HA H 11 4.536 4.489 0.047 1
1 30 . 9 1 1 A 11 11 ARG CB C 11 30.483 30.590 -0.107 1
1 36 . 9 1 1 A 11 11 ARG C C 11 173.683 175.820 -2.137 1
1 40 . 9 1 1 A 12 12 PRO CA C 12 63.397 64.336 -0.939 1
1 41 . 9 1 1 A 12 12 PRO HA H 12 4.285 4.342 -0.057 1
1 42 . 9 1 1 A 12 12 PRO CB C 12 32.234 31.639 0.595 1
1 48 . 9 1 1 A 12 12 PRO C C 12 176.232 175.854 0.378 1
1 52 . 9 1 1 A 13 13 TYR N N 13 118.384 118.211 0.173 1
1 53 . 9 1 1 A 13 13 TYR H H 13 8.076 7.393 0.683 1
1 54 . 9 1 1 A 13 13 TYR CA C 13 57.335 56.933 0.402 1
1 55 . 9 1 1 A 13 13 TYR HA H 13 4.617 5.023 -0.406 1
1 56 . 9 1 1 A 13 13 TYR CB C 13 38.356 39.263 -0.907 1
1 66 . 9 1 1 A 13 13 TYR C C 13 174.768 175.261 -0.493 1
1 68 . 9 1 1 A 14 14 GLU N N 14 123.471 123.477 -0.006 1
1 69 . 9 1 1 A 14 14 GLU H H 14 8.460 9.083 -0.623 1
1 70 . 9 1 1 A 14 14 GLU CA C 14 55.233 54.517 0.716 1
1 71 . 9 1 1 A 14 14 GLU HA H 14 4.925 5.438 -0.513 1
1 72 . 9 1 1 A 14 14 GLU CB C 14 32.790 33.654 -0.864 1
1 76 . 9 1 1 A 14 14 GLU C C 14 175.483 174.722 0.761 1
1 79 . 9 1 1 A 15 15 CYS N N 15 126.570 120.075 6.495 1
1 80 . 9 1 1 A 15 15 CYS H H 15 9.293 9.136 0.157 1
1 81 . 9 1 1 A 15 15 CYS CA C 15 59.368 57.400 1.968 1
1 82 . 9 1 1 A 15 15 CYS HA H 15 4.608 5.075 -0.467 1
1 83 . 9 1 1 A 15 15 CYS CB C 15 29.874 29.670 0.204 1
1 85 . 9 1 1 A 15 15 CYS C C 15 177.332 175.220 2.112 1
1 87 . 9 1 1 A 16 16 ILE N N 16 114.361 128.959 -14.598 1
1 88 . 9 1 1 A 16 16 ILE H H 16 8.857 8.617 0.240 1
1 89 . 9 1 1 A 16 16 ILE CA C 16 63.249 63.478 -0.229 1
1 90 . 9 1 1 A 16 16 ILE HA H 16 4.126 4.039 0.087 1
1 91 . 9 1 1 A 16 16 ILE CB C 16 38.266 38.154 0.112 1
1 103 . 9 1 1 A 16 16 ILE C C 16 176.261 176.927 -0.666 1
1 105 . 9 1 1 A 17 17 GLU N N 17 122.365 121.376 0.989 1
1 106 . 9 1 1 A 17 17 GLU H H 17 8.639 8.179 0.460 1
1 107 . 9 1 1 A 17 17 GLU CA C 17 59.363 59.313 0.050 1
1 108 . 9 1 1 A 17 17 GLU HA H 17 4.154 3.919 0.235 1
1 109 . 9 1 1 A 17 17 GLU CB C 17 29.427 29.067 0.360 1
1 113 . 9 1 1 A 17 17 GLU C C 17 177.603 177.682 -0.079 1
1 116 . 9 1 1 A 18 18 CYS N N 18 114.731 115.317 -0.586 1
1 117 . 9 1 1 A 18 18 CYS H H 18 7.995 7.973 0.022 1
1 118 . 9 1 1 A 18 18 CYS CA C 18 58.612 59.460 -0.848 1
1 119 . 9 1 1 A 18 18 CYS HA H 18 5.146 4.723 0.423 1
1 120 . 9 1 1 A 18 18 CYS CB C 18 32.458 30.397 2.061 1
1 122 . 9 1 1 A 18 18 CYS C C 18 176.248 175.560 0.688 1
1 124 . 9 1 1 A 19 19 GLY N N 19 113.796 110.043 3.753 1
1 125 . 9 1 1 A 19 19 GLY H H 19 8.397 8.352 0.045 1
1 126 . 9 1 1 A 19 19 GLY CA C 19 46.250 46.068 0.182 1
1 127 . 9 1 1 A 19 19 GLY HA3 H 19 3.882 4.107 -0.225 1
1 128 . 9 1 1 A 19 19 GLY C C 19 173.933 174.263 -0.330 1
1 129 . 9 1 1 A 19 19 GLY HA2 H 19 4.222 4.087 0.135 1
1 130 . 9 1 1 A 20 20 LYS N N 20 122.119 119.393 2.726 1
1 131 . 9 1 1 A 20 20 LYS H H 20 7.887 7.931 -0.044 1
1 132 . 9 1 1 A 20 20 LYS CA C 20 57.780 54.303 3.477 1
1 133 . 9 1 1 A 20 20 LYS HA H 20 4.046 4.762 -0.716 1
1 134 . 9 1 1 A 20 20 LYS CB C 20 34.226 35.688 -1.462 1
1 142 . 9 1 1 A 20 20 LYS C C 20 173.634 174.767 -1.133 1
1 147 . 9 1 1 A 21 21 ALA N N 21 122.988 124.736 -1.748 1
1 148 . 9 1 1 A 21 21 ALA H H 21 7.852 8.709 -0.857 1
1 149 . 9 1 1 A 21 21 ALA CA C 21 50.531 50.077 0.454 1
1 150 . 9 1 1 A 21 21 ALA HA H 21 5.068 5.690 -0.622 1
1 151 . 9 1 1 A 21 21 ALA CB C 21 21.964 22.436 -0.472 1
1 155 . 9 1 1 A 21 21 ALA C C 21 176.493 175.891 0.602 1
1 156 . 9 1 1 A 22 22 PHE N N 22 117.964 117.358 0.606 1
1 157 . 9 1 1 A 22 22 PHE H H 22 8.646 9.092 -0.446 1
1 158 . 9 1 1 A 22 22 PHE CA C 22 57.636 56.240 1.396 1
1 159 . 9 1 1 A 22 22 PHE HA H 22 4.620 4.966 -0.346 1
1 160 . 9 1 1 A 22 22 PHE CB C 22 43.392 42.089 1.303 1
1 172 . 9 1 1 A 22 22 PHE C C 22 175.473 175.905 -0.432 1
1 174 . 9 1 1 A 23 23 LYS CA C 23 58.582 59.298 -0.716 1
1 175 . 9 1 1 A 23 23 LYS HA H 23 4.413 4.173 0.240 1
1 176 . 9 1 1 A 23 23 LYS CB C 23 34.037 32.629 1.408 1
1 184 . 9 1 1 A 23 23 LYS C C 23 176.876 176.213 0.663 1
1 189 . 9 1 1 A 24 24 THR N N 24 119.640 108.632 11.008 1
1 190 . 9 1 1 A 24 24 THR H H 24 7.250 7.768 -0.518 1
1 191 . 9 1 1 A 24 24 THR CA C 24 58.320 60.627 -2.307 1
1 192 . 9 1 1 A 24 24 THR HA H 24 4.696 4.766 -0.070 1
1 193 . 9 1 1 A 24 24 THR CB C 24 72.705 70.954 1.751 1
1 199 . 9 1 1 A 24 24 THR C C 24 173.538 174.549 -1.011 1
1 200 . 9 1 1 A 25 25 LYS N N 25 123.935 124.216 -0.281 1
1 201 . 9 1 1 A 25 25 LYS H H 25 8.309 7.936 0.373 1
1 202 . 9 1 1 A 25 25 LYS CA C 25 58.948 59.325 -0.377 1
1 203 . 9 1 1 A 25 25 LYS HA H 25 3.190 3.626 -0.436 1
1 204 . 9 1 1 A 25 25 LYS CB C 25 31.814 31.362 0.452 1
1 211 . 9 1 1 A 25 25 LYS C C 25 178.575 177.882 0.693 1
1 216 . 9 1 1 A 26 26 SER N N 26 112.737 117.487 -4.750 1
1 217 . 9 1 1 A 26 26 SER H H 26 8.378 7.806 0.572 1
1 218 . 9 1 1 A 26 26 SER CA C 26 61.462 61.653 -0.191 1
1 219 . 9 1 1 A 26 26 SER HA H 26 4.001 4.011 -0.010 1
1 220 . 9 1 1 A 26 26 SER CB C 26 61.997 62.833 -0.836 1
1 222 . 9 1 1 A 26 26 SER C C 26 177.274 176.963 0.311 1
1 224 . 9 1 1 A 27 27 SER N N 27 117.990 117.593 0.397 1
1 225 . 9 1 1 A 27 27 SER H H 27 7.774 7.939 -0.165 1
1 226 . 9 1 1 A 27 27 SER CA C 27 61.787 61.867 -0.080 1
1 227 . 9 1 1 A 27 27 SER HA H 27 4.157 4.168 -0.011 1
1 228 . 9 1 1 A 27 27 SER CB C 27 62.739 62.899 -0.160 1
1 230 . 9 1 1 A 27 27 SER C C 27 176.731 175.869 0.862 1
1 232 . 9 1 1 A 28 28 LEU N N 28 125.136 121.931 3.205 1
1 233 . 9 1 1 A 28 28 LEU H H 28 7.236 7.671 -0.435 1
1 234 . 9 1 1 A 28 28 LEU CA C 28 58.242 57.283 0.959 1
1 235 . 9 1 1 A 28 28 LEU HA H 28 3.274 3.119 0.155 1
1 236 . 9 1 1 A 28 28 LEU CB C 28 40.574 41.325 -0.751 1
1 248 . 9 1 1 A 28 28 LEU C C 28 177.489 178.354 -0.865 1
1 250 . 9 1 1 A 29 29 ILE N N 29 120.340 119.759 0.581 1
1 251 . 9 1 1 A 29 29 ILE H H 29 8.396 8.341 0.055 1
1 252 . 9 1 1 A 29 29 ILE CA C 29 65.377 65.381 -0.004 1
1 253 . 9 1 1 A 29 29 ILE HA H 29 3.486 3.560 -0.074 1
1 254 . 9 1 1 A 29 29 ILE CB C 29 37.558 37.622 -0.064 1
1 266 . 9 1 1 A 29 29 ILE C C 29 178.945 178.027 0.918 1
1 268 . 9 1 1 A 30 30 CYS N N 30 117.810 120.671 -2.861 1
1 269 . 9 1 1 A 30 30 CYS H H 30 7.813 7.691 0.122 1
1 270 . 9 1 1 A 30 30 CYS CA C 30 62.779 63.161 -0.382 1
1 271 . 9 1 1 A 30 30 CYS HA H 30 3.983 3.969 0.014 1
1 272 . 9 1 1 A 30 30 CYS CB C 30 26.511 26.661 -0.150 1
1 274 . 9 1 1 A 30 30 CYS C C 30 177.558 177.061 0.497 1
1 276 . 9 1 1 A 31 31 HIS N N 31 119.264 119.814 -0.550 1
1 277 . 9 1 1 A 31 31 HIS H H 31 7.738 7.438 0.300 1
1 278 . 9 1 1 A 31 31 HIS CA C 31 59.109 59.689 -0.580 1
1 279 . 9 1 1 A 31 31 HIS HA H 31 4.203 4.117 0.086 1
1 280 . 9 1 1 A 31 31 HIS CB C 31 28.121 29.580 -1.459 1
1 286 . 9 1 1 A 31 31 HIS C C 31 177.945 177.398 0.547 1
1 288 . 9 1 1 A 32 32 ARG N N 32 120.501 118.754 1.747 1
1 289 . 9 1 1 A 32 32 ARG H H 32 8.745 8.361 0.384 1
1 290 . 9 1 1 A 32 32 ARG CA C 32 60.292 59.571 0.721 1
1 291 . 9 1 1 A 32 32 ARG HA H 32 3.640 3.801 -0.161 1
1 292 . 9 1 1 A 32 32 ARG CB C 32 29.469 29.997 -0.528 1
1 298 . 9 1 1 A 32 32 ARG C C 32 178.129 178.728 -0.599 1
1 302 . 9 1 1 A 33 33 ARG N N 33 117.976 118.945 -0.969 1
1 303 . 9 1 1 A 33 33 ARG H H 33 7.283 7.765 -0.482 1
1 304 . 9 1 1 A 33 33 ARG CA C 33 58.703 58.609 0.094 1
1 305 . 9 1 1 A 33 33 ARG HA H 33 4.154 4.099 0.055 1
1 306 . 9 1 1 A 33 33 ARG CB C 33 29.814 29.676 0.138 1
1 312 . 9 1 1 A 33 33 ARG C C 33 177.957 178.335 -0.378 1
1 316 . 9 1 1 A 34 34 SER N N 34 113.862 115.056 -1.194 1
1 317 . 9 1 1 A 34 34 SER H H 34 7.841 8.235 -0.394 1
1 318 . 9 1 1 A 34 34 SER CA C 34 60.492 61.238 -0.746 1
1 319 . 9 1 1 A 34 34 SER HA H 34 4.210 4.159 0.051 1
1 320 . 9 1 1 A 34 34 SER CB C 34 63.284 62.193 1.091 1
1 322 . 9 1 1 A 34 34 SER C C 34 175.028 177.050 -2.022 1
1 324 . 9 1 1 A 35 35 HIS N N 35 119.288 118.862 0.426 1
1 325 . 9 1 1 A 35 35 HIS H H 35 7.313 7.569 -0.256 1
1 326 . 9 1 1 A 35 35 HIS CA C 35 55.647 58.958 -3.311 1
1 327 . 9 1 1 A 35 35 HIS HA H 35 4.865 4.257 0.608 1
1 328 . 9 1 1 A 35 35 HIS CB C 35 28.882 29.898 -1.016 1
1 334 . 9 1 1 A 35 35 HIS C C 35 175.603 176.419 -0.816 1
1 336 . 9 1 1 A 36 36 THR N N 36 112.427 110.994 1.433 1
1 337 . 9 1 1 A 36 36 THR H H 36 7.846 7.636 0.210 1
1 338 . 9 1 1 A 36 36 THR CA C 36 62.411 61.505 0.906 1
1 339 . 9 1 1 A 36 36 THR HA H 36 4.372 4.381 -0.009 1
1 340 . 9 1 1 A 36 36 THR CB C 36 69.891 68.061 1.830 1
1 346 . 9 1 1 A 36 36 THR C C 36 175.363 174.247 1.116 1
1 347 . 9 1 1 A 37 37 GLY N N 37 110.984 110.929 0.055 1
1 348 . 9 1 1 A 37 37 GLY H H 37 8.339 8.447 -0.108 1
1 349 . 9 1 1 A 37 37 GLY CA C 37 45.387 44.443 0.944 1
1 350 . 9 1 1 A 37 37 GLY HA3 H 37 3.971 4.096 -0.125 1
1 351 . 9 1 1 A 37 37 GLY C C 37 174.048 172.063 1.985 1
1 352 . 9 1 1 A 37 37 GLY HA2 H 37 3.971 4.091 -0.120 1
1 353 . 9 1 1 A 38 38 GLU N N 38 120.632 122.297 -1.665 1
1 354 . 9 1 1 A 38 38 GLU H H 38 8.114 8.566 -0.452 1
1 355 . 9 1 1 A 38 38 GLU CA C 38 56.455 55.336 1.119 1
1 356 . 9 1 1 A 38 38 GLU HA H 38 4.249 4.786 -0.537 1
1 357 . 9 1 1 A 38 38 GLU CB C 38 30.579 31.318 -0.739 1
1 361 . 9 1 1 A 38 38 GLU C C 38 176.214 176.481 -0.267 1
1 364 . 9 1 1 A 39 39 LYS N N 39 123.848 127.160 -3.312 1
1 365 . 9 1 1 A 39 39 LYS H H 39 8.429 8.670 -0.241 1
1 366 . 9 1 1 A 39 39 LYS CA C 39 54.125 54.269 -0.144 1
1 367 . 9 1 1 A 39 39 LYS HA H 39 4.610 4.429 0.181 1
1 368 . 9 1 1 A 39 39 LYS CB C 39 32.513 33.092 -0.579 1
1 376 . 9 1 1 A 39 39 LYS C C 39 174.488 175.323 -0.835 1
1 381 . 9 1 1 A 40 40 PRO CA C 40 63.239 62.420 0.819 1
1 382 . 9 1 1 A 40 40 PRO HA H 40 4.464 4.587 -0.123 1
1 383 . 9 1 1 A 40 40 PRO CB C 40 32.143 32.825 -0.682 1
1 392 . 9 1 1 A 43 43 PRO CA C 43 63.278 62.571 0.707 1
1 393 . 9 1 1 A 43 43 PRO HA H 43 4.481 4.510 -0.029 1
1 394 . 9 1 1 A 43 43 PRO CB C 43 32.178 32.123 0.055 1
1 403 . 9 1 1 A 45 45 SER CA C 45 58.395 58.088 0.307 1
1 404 . 9 1 1 A 45 45 SER HA H 45 4.459 4.341 0.118 1
1 405 . 9 1 1 A 45 45 SER CB C 45 64.014 63.357 0.657 1
1 407 . 9 1 1 A 45 45 SER C C 45 173.893 174.585 -0.692 1
1 1 . 10 1 1 A 8 8 THR CA C 8 61.941 59.216 2.725 1
1 2 . 10 1 1 A 8 8 THR HA H 8 4.370 4.989 -0.619 1
1 3 . 10 1 1 A 8 8 THR CB C 8 69.887 72.338 -2.451 1
1 8 . 10 1 1 A 9 9 GLY CA C 9 45.384 46.196 -0.812 1
1 9 . 10 1 1 A 9 9 GLY HA3 H 9 3.952 4.053 -0.101 1
1 10 . 10 1 1 A 9 9 GLY C C 9 174.059 174.762 -0.703 1
1 11 . 10 1 1 A 9 9 GLY HA2 H 9 3.952 4.051 -0.099 1
1 12 . 10 1 1 A 10 10 GLN N N 10 119.396 118.623 0.773 1
1 13 . 10 1 1 A 10 10 GLN H H 10 8.197 8.242 -0.045 1
1 14 . 10 1 1 A 10 10 GLN CA C 10 56.099 56.885 -0.786 1
1 15 . 10 1 1 A 10 10 GLN HA H 10 4.254 4.475 -0.221 1
1 16 . 10 1 1 A 10 10 GLN CB C 10 29.534 30.076 -0.542 1
1 23 . 10 1 1 A 10 10 GLN C C 10 175.906 175.862 0.044 1
1 26 . 10 1 1 A 11 11 ARG N N 11 122.290 118.527 3.763 1
1 27 . 10 1 1 A 11 11 ARG H H 11 8.323 7.520 0.803 1
1 28 . 10 1 1 A 11 11 ARG CA C 11 53.699 55.494 -1.795 1
1 29 . 10 1 1 A 11 11 ARG HA H 11 4.536 4.441 0.095 1
1 30 . 10 1 1 A 11 11 ARG CB C 11 30.483 30.539 -0.056 1
1 36 . 10 1 1 A 11 11 ARG C C 11 173.683 176.433 -2.750 1
1 40 . 10 1 1 A 12 12 PRO CA C 12 63.397 63.934 -0.537 1
1 41 . 10 1 1 A 12 12 PRO HA H 12 4.285 4.236 0.049 1
1 42 . 10 1 1 A 12 12 PRO CB C 12 32.234 31.261 0.973 1
1 48 . 10 1 1 A 12 12 PRO C C 12 176.232 175.588 0.644 1
1 52 . 10 1 1 A 13 13 TYR N N 13 118.384 118.563 -0.179 1
1 53 . 10 1 1 A 13 13 TYR H H 13 8.076 7.459 0.617 1
1 54 . 10 1 1 A 13 13 TYR CA C 13 57.335 56.769 0.566 1
1 55 . 10 1 1 A 13 13 TYR HA H 13 4.617 5.424 -0.807 1
1 56 . 10 1 1 A 13 13 TYR CB C 13 38.356 41.542 -3.186 1
1 66 . 10 1 1 A 13 13 TYR C C 13 174.768 174.812 -0.044 1
1 68 . 10 1 1 A 14 14 GLU N N 14 123.471 122.448 1.023 1
1 69 . 10 1 1 A 14 14 GLU H H 14 8.460 8.991 -0.531 1
1 70 . 10 1 1 A 14 14 GLU CA C 14 55.233 54.941 0.292 1
1 71 . 10 1 1 A 14 14 GLU HA H 14 4.925 5.118 -0.193 1
1 72 . 10 1 1 A 14 14 GLU CB C 14 32.790 34.687 -1.897 1
1 76 . 10 1 1 A 14 14 GLU C C 14 175.483 174.724 0.759 1
1 79 . 10 1 1 A 15 15 CYS N N 15 126.570 120.311 6.259 1
1 80 . 10 1 1 A 15 15 CYS H H 15 9.293 9.112 0.181 1
1 81 . 10 1 1 A 15 15 CYS CA C 15 59.368 57.133 2.235 1
1 82 . 10 1 1 A 15 15 CYS HA H 15 4.608 5.065 -0.457 1
1 83 . 10 1 1 A 15 15 CYS CB C 15 29.874 30.223 -0.349 1
1 85 . 10 1 1 A 15 15 CYS C C 15 177.332 175.108 2.224 1
1 87 . 10 1 1 A 16 16 ILE N N 16 114.361 129.029 -14.668 1
1 88 . 10 1 1 A 16 16 ILE H H 16 8.857 8.702 0.155 1
1 89 . 10 1 1 A 16 16 ILE CA C 16 63.249 63.791 -0.542 1
1 90 . 10 1 1 A 16 16 ILE HA H 16 4.126 4.019 0.107 1
1 91 . 10 1 1 A 16 16 ILE CB C 16 38.266 37.633 0.633 1
1 103 . 10 1 1 A 16 16 ILE C C 16 176.261 176.850 -0.589 1
1 105 . 10 1 1 A 17 17 GLU N N 17 122.365 121.398 0.967 1
1 106 . 10 1 1 A 17 17 GLU H H 17 8.639 8.301 0.338 1
1 107 . 10 1 1 A 17 17 GLU CA C 17 59.363 59.599 -0.236 1
1 108 . 10 1 1 A 17 17 GLU HA H 17 4.154 3.943 0.211 1
1 109 . 10 1 1 A 17 17 GLU CB C 17 29.427 29.179 0.248 1
1 113 . 10 1 1 A 17 17 GLU C C 17 177.603 178.122 -0.519 1
1 116 . 10 1 1 A 18 18 CYS N N 18 114.731 115.077 -0.346 1
1 117 . 10 1 1 A 18 18 CYS H H 18 7.995 8.030 -0.035 1
1 118 . 10 1 1 A 18 18 CYS CA C 18 58.612 59.583 -0.971 1
1 119 . 10 1 1 A 18 18 CYS HA H 18 5.146 4.713 0.433 1
1 120 . 10 1 1 A 18 18 CYS CB C 18 32.458 30.148 2.310 1
1 122 . 10 1 1 A 18 18 CYS C C 18 176.248 175.564 0.684 1
1 124 . 10 1 1 A 19 19 GLY N N 19 113.796 110.337 3.459 1
1 125 . 10 1 1 A 19 19 GLY H H 19 8.397 8.106 0.291 1
1 126 . 10 1 1 A 19 19 GLY CA C 19 46.250 45.404 0.846 1
1 127 . 10 1 1 A 19 19 GLY HA3 H 19 3.882 4.082 -0.200 1
1 128 . 10 1 1 A 19 19 GLY C C 19 173.933 174.262 -0.329 1
1 129 . 10 1 1 A 19 19 GLY HA2 H 19 4.222 4.068 0.154 1
1 130 . 10 1 1 A 20 20 LYS N N 20 122.119 118.833 3.286 1
1 131 . 10 1 1 A 20 20 LYS H H 20 7.887 7.570 0.317 1
1 132 . 10 1 1 A 20 20 LYS CA C 20 57.780 55.074 2.706 1
1 133 . 10 1 1 A 20 20 LYS HA H 20 4.046 4.677 -0.631 1
1 134 . 10 1 1 A 20 20 LYS CB C 20 34.226 34.313 -0.087 1
1 142 . 10 1 1 A 20 20 LYS C C 20 173.634 175.223 -1.589 1
1 147 . 10 1 1 A 21 21 ALA N N 21 122.988 120.757 2.231 1
1 148 . 10 1 1 A 21 21 ALA H H 21 7.852 8.159 -0.307 1
1 149 . 10 1 1 A 21 21 ALA CA C 21 50.531 50.769 -0.238 1
1 150 . 10 1 1 A 21 21 ALA HA H 21 5.068 5.264 -0.196 1
1 151 . 10 1 1 A 21 21 ALA CB C 21 21.964 23.891 -1.927 1
1 155 . 10 1 1 A 21 21 ALA C C 21 176.493 175.204 1.289 1
1 156 . 10 1 1 A 22 22 PHE N N 22 117.964 116.567 1.397 1
1 157 . 10 1 1 A 22 22 PHE H H 22 8.646 8.952 -0.306 1
1 158 . 10 1 1 A 22 22 PHE CA C 22 57.636 56.562 1.074 1
1 159 . 10 1 1 A 22 22 PHE HA H 22 4.620 4.987 -0.367 1
1 160 . 10 1 1 A 22 22 PHE CB C 22 43.392 43.628 -0.236 1
1 172 . 10 1 1 A 22 22 PHE C C 22 175.473 175.773 -0.300 1
1 174 . 10 1 1 A 23 23 LYS CA C 23 58.582 57.295 1.287 1
1 175 . 10 1 1 A 23 23 LYS HA H 23 4.413 4.599 -0.186 1
1 176 . 10 1 1 A 23 23 LYS CB C 23 34.037 33.945 0.092 1
1 184 . 10 1 1 A 23 23 LYS C C 23 176.876 176.417 0.459 1
1 189 . 10 1 1 A 24 24 THR N N 24 119.640 109.383 10.257 1
1 190 . 10 1 1 A 24 24 THR H H 24 7.250 7.512 -0.262 1
1 191 . 10 1 1 A 24 24 THR CA C 24 58.320 59.309 -0.989 1
1 192 . 10 1 1 A 24 24 THR HA H 24 4.696 4.216 0.480 1
1 193 . 10 1 1 A 24 24 THR CB C 24 72.705 72.139 0.566 1
1 199 . 10 1 1 A 24 24 THR C C 24 173.538 174.099 -0.561 1
1 200 . 10 1 1 A 25 25 LYS N N 25 123.935 122.342 1.593 1
1 201 . 10 1 1 A 25 25 LYS H H 25 8.309 8.411 -0.102 1
1 202 . 10 1 1 A 25 25 LYS CA C 25 58.948 60.017 -1.069 1
1 203 . 10 1 1 A 25 25 LYS HA H 25 3.190 3.633 -0.443 1
1 204 . 10 1 1 A 25 25 LYS CB C 25 31.814 32.015 -0.201 1
1 211 . 10 1 1 A 25 25 LYS C C 25 178.575 178.248 0.327 1
1 216 . 10 1 1 A 26 26 SER N N 26 112.737 116.083 -3.346 1
1 217 . 10 1 1 A 26 26 SER H H 26 8.378 8.055 0.323 1
1 218 . 10 1 1 A 26 26 SER CA C 26 61.462 61.694 -0.232 1
1 219 . 10 1 1 A 26 26 SER HA H 26 4.001 4.119 -0.118 1
1 220 . 10 1 1 A 26 26 SER CB C 26 61.997 62.800 -0.803 1
1 222 . 10 1 1 A 26 26 SER C C 26 177.274 176.420 0.854 1
1 224 . 10 1 1 A 27 27 SER N N 27 117.990 118.207 -0.217 1
1 225 . 10 1 1 A 27 27 SER H H 27 7.774 7.838 -0.064 1
1 226 . 10 1 1 A 27 27 SER CA C 27 61.787 62.270 -0.483 1
1 227 . 10 1 1 A 27 27 SER HA H 27 4.157 4.245 -0.088 1
1 228 . 10 1 1 A 27 27 SER CB C 27 62.739 63.756 -1.017 1
1 230 . 10 1 1 A 27 27 SER C C 27 176.731 175.646 1.085 1
1 232 . 10 1 1 A 28 28 LEU N N 28 125.136 121.572 3.564 1
1 233 . 10 1 1 A 28 28 LEU H H 28 7.236 7.565 -0.329 1
1 234 . 10 1 1 A 28 28 LEU CA C 28 58.242 57.849 0.393 1
1 235 . 10 1 1 A 28 28 LEU HA H 28 3.274 2.316 0.958 1
1 236 . 10 1 1 A 28 28 LEU CB C 28 40.574 41.201 -0.627 1
1 248 . 10 1 1 A 28 28 LEU C C 28 177.489 178.120 -0.631 1
1 250 . 10 1 1 A 29 29 ILE N N 29 120.340 119.206 1.134 1
1 251 . 10 1 1 A 29 29 ILE H H 29 8.396 8.196 0.200 1
1 252 . 10 1 1 A 29 29 ILE CA C 29 65.377 65.409 -0.032 1
1 253 . 10 1 1 A 29 29 ILE HA H 29 3.486 3.553 -0.067 1
1 254 . 10 1 1 A 29 29 ILE CB C 29 37.558 37.457 0.101 1
1 266 . 10 1 1 A 29 29 ILE C C 29 178.945 177.986 0.959 1
1 268 . 10 1 1 A 30 30 CYS N N 30 117.810 120.371 -2.561 1
1 269 . 10 1 1 A 30 30 CYS H H 30 7.813 8.099 -0.286 1
1 270 . 10 1 1 A 30 30 CYS CA C 30 62.779 63.146 -0.367 1
1 271 . 10 1 1 A 30 30 CYS HA H 30 3.983 3.860 0.123 1
1 272 . 10 1 1 A 30 30 CYS CB C 30 26.511 26.664 -0.153 1
1 274 . 10 1 1 A 30 30 CYS C C 30 177.558 177.170 0.388 1
1 276 . 10 1 1 A 31 31 HIS N N 31 119.264 119.878 -0.614 1
1 277 . 10 1 1 A 31 31 HIS H H 31 7.738 7.901 -0.163 1
1 278 . 10 1 1 A 31 31 HIS CA C 31 59.109 59.931 -0.822 1
1 279 . 10 1 1 A 31 31 HIS HA H 31 4.203 4.131 0.072 1
1 280 . 10 1 1 A 31 31 HIS CB C 31 28.121 29.614 -1.493 1
1 286 . 10 1 1 A 31 31 HIS C C 31 177.945 177.307 0.638 1
1 288 . 10 1 1 A 32 32 ARG N N 32 120.501 119.373 1.128 1
1 289 . 10 1 1 A 32 32 ARG H H 32 8.745 8.239 0.506 1
1 290 . 10 1 1 A 32 32 ARG CA C 32 60.292 59.425 0.867 1
1 291 . 10 1 1 A 32 32 ARG HA H 32 3.640 3.832 -0.192 1
1 292 . 10 1 1 A 32 32 ARG CB C 32 29.469 30.157 -0.688 1
1 298 . 10 1 1 A 32 32 ARG C C 32 178.129 178.707 -0.578 1
1 302 . 10 1 1 A 33 33 ARG N N 33 117.976 118.957 -0.981 1
1 303 . 10 1 1 A 33 33 ARG H H 33 7.283 7.752 -0.469 1
1 304 . 10 1 1 A 33 33 ARG CA C 33 58.703 59.093 -0.390 1
1 305 . 10 1 1 A 33 33 ARG HA H 33 4.154 4.057 0.097 1
1 306 . 10 1 1 A 33 33 ARG CB C 33 29.814 29.939 -0.125 1
1 312 . 10 1 1 A 33 33 ARG C C 33 177.957 178.827 -0.870 1
1 316 . 10 1 1 A 34 34 SER N N 34 113.862 115.400 -1.538 1
1 317 . 10 1 1 A 34 34 SER H H 34 7.841 7.451 0.390 1
1 318 . 10 1 1 A 34 34 SER CA C 34 60.492 61.673 -1.181 1
1 319 . 10 1 1 A 34 34 SER HA H 34 4.210 4.068 0.142 1
1 320 . 10 1 1 A 34 34 SER CB C 34 63.284 62.968 0.316 1
1 322 . 10 1 1 A 34 34 SER C C 34 175.028 177.211 -2.183 1
1 324 . 10 1 1 A 35 35 HIS N N 35 119.288 119.508 -0.220 1
1 325 . 10 1 1 A 35 35 HIS H H 35 7.313 7.641 -0.328 1
1 326 . 10 1 1 A 35 35 HIS CA C 35 55.647 58.943 -3.296 1
1 327 . 10 1 1 A 35 35 HIS HA H 35 4.865 4.164 0.701 1
1 328 . 10 1 1 A 35 35 HIS CB C 35 28.882 29.865 -0.983 1
1 334 . 10 1 1 A 35 35 HIS C C 35 175.603 176.252 -0.649 1
1 336 . 10 1 1 A 36 36 THR N N 36 112.427 112.769 -0.342 1
1 337 . 10 1 1 A 36 36 THR H H 36 7.846 7.858 -0.012 1
1 338 . 10 1 1 A 36 36 THR CA C 36 62.411 63.813 -1.402 1
1 339 . 10 1 1 A 36 36 THR HA H 36 4.372 3.885 0.487 1
1 340 . 10 1 1 A 36 36 THR CB C 36 69.891 69.046 0.845 1
1 346 . 10 1 1 A 36 36 THR C C 36 175.363 175.746 -0.383 1
1 347 . 10 1 1 A 37 37 GLY N N 37 110.984 115.848 -4.864 1
1 348 . 10 1 1 A 37 37 GLY H H 37 8.339 8.868 -0.529 1
1 349 . 10 1 1 A 37 37 GLY CA C 37 45.387 46.396 -1.009 1
1 350 . 10 1 1 A 37 37 GLY HA3 H 37 3.971 3.936 0.035 1
1 351 . 10 1 1 A 37 37 GLY C C 37 174.048 173.729 0.319 1
1 352 . 10 1 1 A 37 37 GLY HA2 H 37 3.971 3.934 0.037 1
1 353 . 10 1 1 A 38 38 GLU N N 38 120.632 119.350 1.282 1
1 354 . 10 1 1 A 38 38 GLU H H 38 8.114 8.030 0.084 1
1 355 . 10 1 1 A 38 38 GLU CA C 38 56.455 54.511 1.944 1
1 356 . 10 1 1 A 38 38 GLU HA H 38 4.249 4.906 -0.657 1
1 357 . 10 1 1 A 38 38 GLU CB C 38 30.579 33.494 -2.915 1
1 361 . 10 1 1 A 38 38 GLU C C 38 176.214 175.067 1.147 1
1 364 . 10 1 1 A 39 39 LYS N N 39 123.848 121.741 2.107 1
1 365 . 10 1 1 A 39 39 LYS H H 39 8.429 8.667 -0.238 1
1 366 . 10 1 1 A 39 39 LYS CA C 39 54.125 52.820 1.305 1
1 367 . 10 1 1 A 39 39 LYS HA H 39 4.610 4.878 -0.268 1
1 368 . 10 1 1 A 39 39 LYS CB C 39 32.513 34.545 -2.032 1
1 376 . 10 1 1 A 39 39 LYS C C 39 174.488 174.167 0.321 1
1 381 . 10 1 1 A 40 40 PRO CA C 40 63.239 62.587 0.652 1
1 382 . 10 1 1 A 40 40 PRO HA H 40 4.464 4.761 -0.297 1
1 383 . 10 1 1 A 40 40 PRO CB C 40 32.143 31.422 0.721 1
1 392 . 10 1 1 A 43 43 PRO CA C 43 63.278 62.623 0.655 1
1 393 . 10 1 1 A 43 43 PRO HA H 43 4.481 4.560 -0.079 1
1 394 . 10 1 1 A 43 43 PRO CB C 43 32.178 33.060 -0.882 1
1 403 . 10 1 1 A 45 45 SER CA C 45 58.395 56.796 1.599 1
1 404 . 10 1 1 A 45 45 SER HA H 45 4.459 5.432 -0.973 1
1 405 . 10 1 1 A 45 45 SER CB C 45 64.014 64.551 -0.537 1
1 407 . 10 1 1 A 45 45 SER C C 45 173.893 173.774 0.119 1
1 1 . 11 1 1 A 8 8 THR CA C 8 61.941 62.281 -0.340 1
1 2 . 11 1 1 A 8 8 THR HA H 8 4.370 4.438 -0.068 1
1 3 . 11 1 1 A 8 8 THR CB C 8 69.887 68.612 1.275 1
1 8 . 11 1 1 A 9 9 GLY CA C 9 45.384 45.490 -0.106 1
1 9 . 11 1 1 A 9 9 GLY HA3 H 9 3.952 3.908 0.044 1
1 10 . 11 1 1 A 9 9 GLY C C 9 174.059 174.445 -0.386 1
1 11 . 11 1 1 A 9 9 GLY HA2 H 9 3.952 3.893 0.059 1
1 12 . 11 1 1 A 10 10 GLN N N 10 119.396 121.198 -1.802 1
1 13 . 11 1 1 A 10 10 GLN H H 10 8.197 8.096 0.101 1
1 14 . 11 1 1 A 10 10 GLN CA C 10 56.099 58.051 -1.952 1
1 15 . 11 1 1 A 10 10 GLN HA H 10 4.254 4.138 0.116 1
1 16 . 11 1 1 A 10 10 GLN CB C 10 29.534 29.924 -0.390 1
1 23 . 11 1 1 A 10 10 GLN C C 10 175.906 176.623 -0.717 1
1 26 . 11 1 1 A 11 11 ARG N N 11 122.290 116.012 6.278 1
1 27 . 11 1 1 A 11 11 ARG H H 11 8.323 7.832 0.491 1
1 28 . 11 1 1 A 11 11 ARG CA C 11 53.699 54.055 -0.356 1
1 29 . 11 1 1 A 11 11 ARG HA H 11 4.536 4.553 -0.017 1
1 30 . 11 1 1 A 11 11 ARG CB C 11 30.483 30.318 0.165 1
1 36 . 11 1 1 A 11 11 ARG C C 11 173.683 175.791 -2.108 1
1 40 . 11 1 1 A 12 12 PRO CA C 12 63.397 63.979 -0.582 1
1 41 . 11 1 1 A 12 12 PRO HA H 12 4.285 4.451 -0.166 1
1 42 . 11 1 1 A 12 12 PRO CB C 12 32.234 31.309 0.925 1
1 48 . 11 1 1 A 12 12 PRO C C 12 176.232 175.720 0.512 1
1 52 . 11 1 1 A 13 13 TYR N N 13 118.384 119.160 -0.776 1
1 53 . 11 1 1 A 13 13 TYR H H 13 8.076 7.380 0.696 1
1 54 . 11 1 1 A 13 13 TYR CA C 13 57.335 57.009 0.326 1
1 55 . 11 1 1 A 13 13 TYR HA H 13 4.617 4.922 -0.305 1
1 56 . 11 1 1 A 13 13 TYR CB C 13 38.356 38.807 -0.451 1
1 66 . 11 1 1 A 13 13 TYR C C 13 174.768 175.389 -0.621 1
1 68 . 11 1 1 A 14 14 GLU N N 14 123.471 123.877 -0.406 1
1 69 . 11 1 1 A 14 14 GLU H H 14 8.460 9.041 -0.581 1
1 70 . 11 1 1 A 14 14 GLU CA C 14 55.233 54.611 0.622 1
1 71 . 11 1 1 A 14 14 GLU HA H 14 4.925 5.215 -0.290 1
1 72 . 11 1 1 A 14 14 GLU CB C 14 32.790 33.801 -1.011 1
1 76 . 11 1 1 A 14 14 GLU C C 14 175.483 174.664 0.819 1
1 79 . 11 1 1 A 15 15 CYS N N 15 126.570 122.382 4.188 1
1 80 . 11 1 1 A 15 15 CYS H H 15 9.293 9.357 -0.064 1
1 81 . 11 1 1 A 15 15 CYS CA C 15 59.368 57.662 1.706 1
1 82 . 11 1 1 A 15 15 CYS HA H 15 4.608 5.015 -0.407 1
1 83 . 11 1 1 A 15 15 CYS CB C 15 29.874 30.276 -0.402 1
1 85 . 11 1 1 A 15 15 CYS C C 15 177.332 175.390 1.942 1
1 87 . 11 1 1 A 16 16 ILE N N 16 114.361 127.928 -13.567 1
1 88 . 11 1 1 A 16 16 ILE H H 16 8.857 8.932 -0.075 1
1 89 . 11 1 1 A 16 16 ILE CA C 16 63.249 62.259 0.990 1
1 90 . 11 1 1 A 16 16 ILE HA H 16 4.126 4.253 -0.127 1
1 91 . 11 1 1 A 16 16 ILE CB C 16 38.266 39.457 -1.191 1
1 103 . 11 1 1 A 16 16 ILE C C 16 176.261 177.207 -0.946 1
1 105 . 11 1 1 A 17 17 GLU N N 17 122.365 121.502 0.863 1
1 106 . 11 1 1 A 17 17 GLU H H 17 8.639 7.912 0.727 1
1 107 . 11 1 1 A 17 17 GLU CA C 17 59.363 59.117 0.246 1
1 108 . 11 1 1 A 17 17 GLU HA H 17 4.154 3.915 0.239 1
1 109 . 11 1 1 A 17 17 GLU CB C 17 29.427 29.254 0.173 1
1 113 . 11 1 1 A 17 17 GLU C C 17 177.603 178.257 -0.654 1
1 116 . 11 1 1 A 18 18 CYS N N 18 114.731 115.140 -0.409 1
1 117 . 11 1 1 A 18 18 CYS H H 18 7.995 7.251 0.744 1
1 118 . 11 1 1 A 18 18 CYS CA C 18 58.612 59.689 -1.077 1
1 119 . 11 1 1 A 18 18 CYS HA H 18 5.146 4.550 0.596 1
1 120 . 11 1 1 A 18 18 CYS CB C 18 32.458 29.469 2.989 1
1 122 . 11 1 1 A 18 18 CYS C C 18 176.248 175.232 1.016 1
1 124 . 11 1 1 A 19 19 GLY N N 19 113.796 110.021 3.775 1
1 125 . 11 1 1 A 19 19 GLY H H 19 8.397 8.330 0.067 1
1 126 . 11 1 1 A 19 19 GLY CA C 19 46.250 45.763 0.487 1
1 127 . 11 1 1 A 19 19 GLY HA3 H 19 3.882 4.093 -0.211 1
1 128 . 11 1 1 A 19 19 GLY C C 19 173.933 174.080 -0.147 1
1 129 . 11 1 1 A 19 19 GLY HA2 H 19 4.222 4.074 0.148 1
1 130 . 11 1 1 A 20 20 LYS N N 20 122.119 119.199 2.920 1
1 131 . 11 1 1 A 20 20 LYS H H 20 7.887 7.896 -0.009 1
1 132 . 11 1 1 A 20 20 LYS CA C 20 57.780 54.041 3.739 1
1 133 . 11 1 1 A 20 20 LYS HA H 20 4.046 4.720 -0.674 1
1 134 . 11 1 1 A 20 20 LYS CB C 20 34.226 35.398 -1.172 1
1 142 . 11 1 1 A 20 20 LYS C C 20 173.634 174.494 -0.860 1
1 147 . 11 1 1 A 21 21 ALA N N 21 122.988 123.503 -0.515 1
1 148 . 11 1 1 A 21 21 ALA H H 21 7.852 8.669 -0.817 1
1 149 . 11 1 1 A 21 21 ALA CA C 21 50.531 49.718 0.813 1
1 150 . 11 1 1 A 21 21 ALA HA H 21 5.068 5.710 -0.642 1
1 151 . 11 1 1 A 21 21 ALA CB C 21 21.964 22.848 -0.884 1
1 155 . 11 1 1 A 21 21 ALA C C 21 176.493 175.521 0.972 1
1 156 . 11 1 1 A 22 22 PHE N N 22 117.964 117.812 0.152 1
1 157 . 11 1 1 A 22 22 PHE H H 22 8.646 9.172 -0.526 1
1 158 . 11 1 1 A 22 22 PHE CA C 22 57.636 56.072 1.564 1
1 159 . 11 1 1 A 22 22 PHE HA H 22 4.620 4.961 -0.341 1
1 160 . 11 1 1 A 22 22 PHE CB C 22 43.392 42.013 1.379 1
1 172 . 11 1 1 A 22 22 PHE C C 22 175.473 175.828 -0.355 1
1 174 . 11 1 1 A 23 23 LYS CA C 23 58.582 58.931 -0.349 1
1 175 . 11 1 1 A 23 23 LYS HA H 23 4.413 4.234 0.179 1
1 176 . 11 1 1 A 23 23 LYS CB C 23 34.037 32.815 1.222 1
1 184 . 11 1 1 A 23 23 LYS C C 23 176.876 176.406 0.470 1
1 189 . 11 1 1 A 24 24 THR N N 24 119.640 108.927 10.713 1
1 190 . 11 1 1 A 24 24 THR H H 24 7.250 7.921 -0.671 1
1 191 . 11 1 1 A 24 24 THR CA C 24 58.320 59.616 -1.296 1
1 192 . 11 1 1 A 24 24 THR HA H 24 4.696 4.809 -0.113 1
1 193 . 11 1 1 A 24 24 THR CB C 24 72.705 70.933 1.772 1
1 199 . 11 1 1 A 24 24 THR C C 24 173.538 175.019 -1.481 1
1 200 . 11 1 1 A 25 25 LYS N N 25 123.935 123.040 0.895 1
1 201 . 11 1 1 A 25 25 LYS H H 25 8.309 8.562 -0.253 1
1 202 . 11 1 1 A 25 25 LYS CA C 25 58.948 59.819 -0.871 1
1 203 . 11 1 1 A 25 25 LYS HA H 25 3.190 2.891 0.299 1
1 204 . 11 1 1 A 25 25 LYS CB C 25 31.814 31.742 0.072 1
1 211 . 11 1 1 A 25 25 LYS C C 25 178.575 178.033 0.542 1
1 216 . 11 1 1 A 26 26 SER N N 26 112.737 115.695 -2.958 1
1 217 . 11 1 1 A 26 26 SER H H 26 8.378 8.032 0.346 1
1 218 . 11 1 1 A 26 26 SER CA C 26 61.462 62.026 -0.564 1
1 219 . 11 1 1 A 26 26 SER HA H 26 4.001 4.044 -0.043 1
1 220 . 11 1 1 A 26 26 SER CB C 26 61.997 62.517 -0.520 1
1 222 . 11 1 1 A 26 26 SER C C 26 177.274 176.397 0.877 1
1 224 . 11 1 1 A 27 27 SER N N 27 117.990 115.521 2.469 1
1 225 . 11 1 1 A 27 27 SER H H 27 7.774 8.222 -0.448 1
1 226 . 11 1 1 A 27 27 SER CA C 27 61.787 61.622 0.165 1
1 227 . 11 1 1 A 27 27 SER HA H 27 4.157 4.009 0.148 1
1 228 . 11 1 1 A 27 27 SER CB C 27 62.739 63.034 -0.295 1
1 230 . 11 1 1 A 27 27 SER C C 27 176.731 176.719 0.012 1
1 232 . 11 1 1 A 28 28 LEU N N 28 125.136 121.332 3.804 1
1 233 . 11 1 1 A 28 28 LEU H H 28 7.236 7.749 -0.513 1
1 234 . 11 1 1 A 28 28 LEU CA C 28 58.242 57.444 0.798 1
1 235 . 11 1 1 A 28 28 LEU HA H 28 3.274 3.287 -0.013 1
1 236 . 11 1 1 A 28 28 LEU CB C 28 40.574 41.261 -0.687 1
1 248 . 11 1 1 A 28 28 LEU C C 28 177.489 178.437 -0.948 1
1 250 . 11 1 1 A 29 29 ILE N N 29 120.340 119.631 0.709 1
1 251 . 11 1 1 A 29 29 ILE H H 29 8.396 8.108 0.288 1
1 252 . 11 1 1 A 29 29 ILE CA C 29 65.377 65.114 0.263 1
1 253 . 11 1 1 A 29 29 ILE HA H 29 3.486 3.649 -0.163 1
1 254 . 11 1 1 A 29 29 ILE CB C 29 37.558 37.824 -0.266 1
1 266 . 11 1 1 A 29 29 ILE C C 29 178.945 178.009 0.936 1
1 268 . 11 1 1 A 30 30 CYS N N 30 117.810 120.454 -2.644 1
1 269 . 11 1 1 A 30 30 CYS H H 30 7.813 7.781 0.032 1
1 270 . 11 1 1 A 30 30 CYS CA C 30 62.779 61.877 0.902 1
1 271 . 11 1 1 A 30 30 CYS HA H 30 3.983 4.263 -0.280 1
1 272 . 11 1 1 A 30 30 CYS CB C 30 26.511 27.040 -0.529 1
1 274 . 11 1 1 A 30 30 CYS C C 30 177.558 176.930 0.628 1
1 276 . 11 1 1 A 31 31 HIS N N 31 119.264 120.356 -1.092 1
1 277 . 11 1 1 A 31 31 HIS H H 31 7.738 7.833 -0.095 1
1 278 . 11 1 1 A 31 31 HIS CA C 31 59.109 59.515 -0.406 1
1 279 . 11 1 1 A 31 31 HIS HA H 31 4.203 3.991 0.212 1
1 280 . 11 1 1 A 31 31 HIS CB C 31 28.121 29.157 -1.036 1
1 286 . 11 1 1 A 31 31 HIS C C 31 177.945 176.866 1.079 1
1 288 . 11 1 1 A 32 32 ARG N N 32 120.501 117.827 2.674 1
1 289 . 11 1 1 A 32 32 ARG H H 32 8.745 8.241 0.504 1
1 290 . 11 1 1 A 32 32 ARG CA C 32 60.292 59.244 1.048 1
1 291 . 11 1 1 A 32 32 ARG HA H 32 3.640 3.909 -0.269 1
1 292 . 11 1 1 A 32 32 ARG CB C 32 29.469 29.606 -0.137 1
1 298 . 11 1 1 A 32 32 ARG C C 32 178.129 178.383 -0.254 1
1 302 . 11 1 1 A 33 33 ARG N N 33 117.976 118.932 -0.956 1
1 303 . 11 1 1 A 33 33 ARG H H 33 7.283 7.691 -0.408 1
1 304 . 11 1 1 A 33 33 ARG CA C 33 58.703 58.471 0.232 1
1 305 . 11 1 1 A 33 33 ARG HA H 33 4.154 4.091 0.063 1
1 306 . 11 1 1 A 33 33 ARG CB C 33 29.814 30.418 -0.604 1
1 312 . 11 1 1 A 33 33 ARG C C 33 177.957 178.855 -0.898 1
1 316 . 11 1 1 A 34 34 SER N N 34 113.862 117.498 -3.636 1
1 317 . 11 1 1 A 34 34 SER H H 34 7.841 7.694 0.147 1
1 318 . 11 1 1 A 34 34 SER CA C 34 60.492 61.718 -1.226 1
1 319 . 11 1 1 A 34 34 SER HA H 34 4.210 4.121 0.089 1
1 320 . 11 1 1 A 34 34 SER CB C 34 63.284 62.876 0.408 1
1 322 . 11 1 1 A 34 34 SER C C 34 175.028 175.690 -0.662 1
1 324 . 11 1 1 A 35 35 HIS N N 35 119.288 117.086 2.202 1
1 325 . 11 1 1 A 35 35 HIS H H 35 7.313 7.487 -0.174 1
1 326 . 11 1 1 A 35 35 HIS CA C 35 55.647 55.798 -0.151 1
1 327 . 11 1 1 A 35 35 HIS HA H 35 4.865 4.668 0.197 1
1 328 . 11 1 1 A 35 35 HIS CB C 35 28.882 29.531 -0.649 1
1 334 . 11 1 1 A 35 35 HIS C C 35 175.603 174.176 1.427 1
1 336 . 11 1 1 A 36 36 THR N N 36 112.427 110.867 1.560 1
1 337 . 11 1 1 A 36 36 THR H H 36 7.846 7.848 -0.002 1
1 338 . 11 1 1 A 36 36 THR CA C 36 62.411 60.661 1.750 1
1 339 . 11 1 1 A 36 36 THR HA H 36 4.372 4.717 -0.345 1
1 340 . 11 1 1 A 36 36 THR CB C 36 69.891 70.763 -0.872 1
1 346 . 11 1 1 A 36 36 THR C C 36 175.363 173.062 2.301 1
1 347 . 11 1 1 A 37 37 GLY N N 37 110.984 108.354 2.630 1
1 348 . 11 1 1 A 37 37 GLY H H 37 8.339 8.339 0.000 1
1 349 . 11 1 1 A 37 37 GLY CA C 37 45.387 45.356 0.031 1
1 350 . 11 1 1 A 37 37 GLY HA3 H 37 3.971 4.203 -0.232 1
1 351 . 11 1 1 A 37 37 GLY C C 37 174.048 172.393 1.655 1
1 352 . 11 1 1 A 37 37 GLY HA2 H 37 3.971 4.201 -0.230 1
1 353 . 11 1 1 A 38 38 GLU N N 38 120.632 122.651 -2.019 1
1 354 . 11 1 1 A 38 38 GLU H H 38 8.114 9.053 -0.939 1
1 355 . 11 1 1 A 38 38 GLU CA C 38 56.455 55.314 1.141 1
1 356 . 11 1 1 A 38 38 GLU HA H 38 4.249 4.969 -0.720 1
1 357 . 11 1 1 A 38 38 GLU CB C 38 30.579 32.539 -1.960 1
1 361 . 11 1 1 A 38 38 GLU C C 38 176.214 173.905 2.309 1
1 364 . 11 1 1 A 39 39 LYS N N 39 123.848 121.325 2.523 1
1 365 . 11 1 1 A 39 39 LYS H H 39 8.429 8.512 -0.083 1
1 366 . 11 1 1 A 39 39 LYS CA C 39 54.125 53.406 0.719 1
1 367 . 11 1 1 A 39 39 LYS HA H 39 4.610 4.999 -0.389 1
1 368 . 11 1 1 A 39 39 LYS CB C 39 32.513 33.459 -0.946 1
1 376 . 11 1 1 A 39 39 LYS C C 39 174.488 174.304 0.184 1
1 381 . 11 1 1 A 40 40 PRO CA C 40 63.239 62.583 0.656 1
1 382 . 11 1 1 A 40 40 PRO HA H 40 4.464 4.601 -0.137 1
1 383 . 11 1 1 A 40 40 PRO CB C 40 32.143 31.520 0.623 1
1 392 . 11 1 1 A 43 43 PRO CA C 43 63.278 63.377 -0.099 1
1 393 . 11 1 1 A 43 43 PRO HA H 43 4.481 4.482 -0.001 1
1 394 . 11 1 1 A 43 43 PRO CB C 43 32.178 31.997 0.181 1
1 403 . 11 1 1 A 45 45 SER CA C 45 58.395 57.606 0.789 1
1 404 . 11 1 1 A 45 45 SER HA H 45 4.459 4.722 -0.263 1
1 405 . 11 1 1 A 45 45 SER CB C 45 64.014 61.773 2.241 1
1 407 . 11 1 1 A 45 45 SER C C 45 173.893 175.336 -1.443 1
1 1 . 12 1 1 A 8 8 THR CA C 8 61.941 61.038 0.903 1
1 2 . 12 1 1 A 8 8 THR HA H 8 4.370 4.814 -0.444 1
1 3 . 12 1 1 A 8 8 THR CB C 8 69.887 72.620 -2.733 1
1 8 . 12 1 1 A 9 9 GLY CA C 9 45.384 45.880 -0.496 1
1 9 . 12 1 1 A 9 9 GLY HA3 H 9 3.952 4.010 -0.058 1
1 10 . 12 1 1 A 9 9 GLY C C 9 174.059 174.361 -0.302 1
1 11 . 12 1 1 A 9 9 GLY HA2 H 9 3.952 4.008 -0.056 1
1 12 . 12 1 1 A 10 10 GLN N N 10 119.396 123.173 -3.777 1
1 13 . 12 1 1 A 10 10 GLN H H 10 8.197 8.863 -0.666 1
1 14 . 12 1 1 A 10 10 GLN CA C 10 56.099 56.896 -0.797 1
1 15 . 12 1 1 A 10 10 GLN HA H 10 4.254 4.599 -0.345 1
1 16 . 12 1 1 A 10 10 GLN CB C 10 29.534 30.763 -1.229 1
1 23 . 12 1 1 A 10 10 GLN C C 10 175.906 176.065 -0.159 1
1 26 . 12 1 1 A 11 11 ARG N N 11 122.290 118.327 3.963 1
1 27 . 12 1 1 A 11 11 ARG H H 11 8.323 7.772 0.551 1
1 28 . 12 1 1 A 11 11 ARG CA C 11 53.699 52.836 0.863 1
1 29 . 12 1 1 A 11 11 ARG HA H 11 4.536 4.792 -0.256 1
1 30 . 12 1 1 A 11 11 ARG CB C 11 30.483 32.539 -2.056 1
1 36 . 12 1 1 A 11 11 ARG C C 11 173.683 175.936 -2.253 1
1 40 . 12 1 1 A 12 12 PRO CA C 12 63.397 63.826 -0.429 1
1 41 . 12 1 1 A 12 12 PRO HA H 12 4.285 4.316 -0.031 1
1 42 . 12 1 1 A 12 12 PRO CB C 12 32.234 31.368 0.866 1
1 48 . 12 1 1 A 12 12 PRO C C 12 176.232 175.651 0.581 1
1 52 . 12 1 1 A 13 13 TYR N N 13 118.384 118.238 0.146 1
1 53 . 12 1 1 A 13 13 TYR H H 13 8.076 7.499 0.577 1
1 54 . 12 1 1 A 13 13 TYR CA C 13 57.335 56.636 0.699 1
1 55 . 12 1 1 A 13 13 TYR HA H 13 4.617 5.437 -0.820 1
1 56 . 12 1 1 A 13 13 TYR CB C 13 38.356 41.912 -3.556 1
1 66 . 12 1 1 A 13 13 TYR C C 13 174.768 175.108 -0.340 1
1 68 . 12 1 1 A 14 14 GLU N N 14 123.471 122.566 0.905 1
1 69 . 12 1 1 A 14 14 GLU H H 14 8.460 8.909 -0.449 1
1 70 . 12 1 1 A 14 14 GLU CA C 14 55.233 54.778 0.455 1
1 71 . 12 1 1 A 14 14 GLU HA H 14 4.925 5.492 -0.567 1
1 72 . 12 1 1 A 14 14 GLU CB C 14 32.790 34.179 -1.389 1
1 76 . 12 1 1 A 14 14 GLU C C 14 175.483 174.909 0.574 1
1 79 . 12 1 1 A 15 15 CYS N N 15 126.570 122.733 3.837 1
1 80 . 12 1 1 A 15 15 CYS H H 15 9.293 9.077 0.216 1
1 81 . 12 1 1 A 15 15 CYS CA C 15 59.368 57.970 1.398 1
1 82 . 12 1 1 A 15 15 CYS HA H 15 4.608 4.649 -0.041 1
1 83 . 12 1 1 A 15 15 CYS CB C 15 29.874 28.040 1.834 1
1 85 . 12 1 1 A 15 15 CYS C C 15 177.332 175.620 1.712 1
1 87 . 12 1 1 A 16 16 ILE N N 16 114.361 127.143 -12.782 1
1 88 . 12 1 1 A 16 16 ILE H H 16 8.857 8.547 0.310 1
1 89 . 12 1 1 A 16 16 ILE CA C 16 63.249 64.920 -1.671 1
1 90 . 12 1 1 A 16 16 ILE HA H 16 4.126 3.813 0.313 1
1 91 . 12 1 1 A 16 16 ILE CB C 16 38.266 37.555 0.711 1
1 103 . 12 1 1 A 16 16 ILE C C 16 176.261 177.482 -1.221 1
1 105 . 12 1 1 A 17 17 GLU N N 17 122.365 119.203 3.162 1
1 106 . 12 1 1 A 17 17 GLU H H 17 8.639 8.367 0.272 1
1 107 . 12 1 1 A 17 17 GLU CA C 17 59.363 59.620 -0.257 1
1 108 . 12 1 1 A 17 17 GLU HA H 17 4.154 3.933 0.221 1
1 109 . 12 1 1 A 17 17 GLU CB C 17 29.427 29.128 0.299 1
1 113 . 12 1 1 A 17 17 GLU C C 17 177.603 177.922 -0.319 1
1 116 . 12 1 1 A 18 18 CYS N N 18 114.731 114.847 -0.116 1
1 117 . 12 1 1 A 18 18 CYS H H 18 7.995 7.286 0.709 1
1 118 . 12 1 1 A 18 18 CYS CA C 18 58.612 59.604 -0.992 1
1 119 . 12 1 1 A 18 18 CYS HA H 18 5.146 4.649 0.497 1
1 120 . 12 1 1 A 18 18 CYS CB C 18 32.458 29.985 2.473 1
1 122 . 12 1 1 A 18 18 CYS C C 18 176.248 175.263 0.985 1
1 124 . 12 1 1 A 19 19 GLY N N 19 113.796 109.490 4.306 1
1 125 . 12 1 1 A 19 19 GLY H H 19 8.397 8.481 -0.084 1
1 126 . 12 1 1 A 19 19 GLY CA C 19 46.250 45.861 0.389 1
1 127 . 12 1 1 A 19 19 GLY HA3 H 19 3.882 4.084 -0.202 1
1 128 . 12 1 1 A 19 19 GLY C C 19 173.933 173.641 0.292 1
1 129 . 12 1 1 A 19 19 GLY HA2 H 19 4.222 4.068 0.154 1
1 130 . 12 1 1 A 20 20 LYS N N 20 122.119 122.539 -0.420 1
1 131 . 12 1 1 A 20 20 LYS H H 20 7.887 7.797 0.090 1
1 132 . 12 1 1 A 20 20 LYS CA C 20 57.780 55.176 2.604 1
1 133 . 12 1 1 A 20 20 LYS HA H 20 4.046 4.840 -0.794 1
1 134 . 12 1 1 A 20 20 LYS CB C 20 34.226 36.627 -2.401 1
1 142 . 12 1 1 A 20 20 LYS C C 20 173.634 174.133 -0.499 1
1 147 . 12 1 1 A 21 21 ALA N N 21 122.988 123.815 -0.827 1
1 148 . 12 1 1 A 21 21 ALA H H 21 7.852 8.666 -0.814 1
1 149 . 12 1 1 A 21 21 ALA CA C 21 50.531 50.465 0.066 1
1 150 . 12 1 1 A 21 21 ALA HA H 21 5.068 5.478 -0.410 1
1 151 . 12 1 1 A 21 21 ALA CB C 21 21.964 22.771 -0.807 1
1 155 . 12 1 1 A 21 21 ALA C C 21 176.493 175.209 1.284 1
1 156 . 12 1 1 A 22 22 PHE N N 22 117.964 117.489 0.475 1
1 157 . 12 1 1 A 22 22 PHE H H 22 8.646 8.904 -0.258 1
1 158 . 12 1 1 A 22 22 PHE CA C 22 57.636 56.395 1.241 1
1 159 . 12 1 1 A 22 22 PHE HA H 22 4.620 4.907 -0.287 1
1 160 . 12 1 1 A 22 22 PHE CB C 22 43.392 43.545 -0.153 1
1 172 . 12 1 1 A 22 22 PHE C C 22 175.473 176.314 -0.841 1
1 174 . 12 1 1 A 23 23 LYS CA C 23 58.582 58.997 -0.415 1
1 175 . 12 1 1 A 23 23 LYS HA H 23 4.413 4.232 0.181 1
1 176 . 12 1 1 A 23 23 LYS CB C 23 34.037 32.290 1.747 1
1 184 . 12 1 1 A 23 23 LYS C C 23 176.876 176.260 0.616 1
1 189 . 12 1 1 A 24 24 THR N N 24 119.640 112.580 7.060 1
1 190 . 12 1 1 A 24 24 THR H H 24 7.250 7.642 -0.392 1
1 191 . 12 1 1 A 24 24 THR CA C 24 58.320 59.881 -1.561 1
1 192 . 12 1 1 A 24 24 THR HA H 24 4.696 4.666 0.030 1
1 193 . 12 1 1 A 24 24 THR CB C 24 72.705 70.579 2.126 1
1 199 . 12 1 1 A 24 24 THR C C 24 173.538 173.820 -0.282 1
1 200 . 12 1 1 A 25 25 LYS N N 25 123.935 125.626 -1.691 1
1 201 . 12 1 1 A 25 25 LYS H H 25 8.309 8.004 0.305 1
1 202 . 12 1 1 A 25 25 LYS CA C 25 58.948 58.806 0.142 1
1 203 . 12 1 1 A 25 25 LYS HA H 25 3.190 3.479 -0.289 1
1 204 . 12 1 1 A 25 25 LYS CB C 25 31.814 31.550 0.264 1
1 211 . 12 1 1 A 25 25 LYS C C 25 178.575 177.561 1.014 1
1 216 . 12 1 1 A 26 26 SER N N 26 112.737 114.820 -2.083 1
1 217 . 12 1 1 A 26 26 SER H H 26 8.378 7.821 0.557 1
1 218 . 12 1 1 A 26 26 SER CA C 26 61.462 61.499 -0.037 1
1 219 . 12 1 1 A 26 26 SER HA H 26 4.001 4.081 -0.080 1
1 220 . 12 1 1 A 26 26 SER CB C 26 61.997 62.848 -0.851 1
1 222 . 12 1 1 A 26 26 SER C C 26 177.274 176.873 0.401 1
1 224 . 12 1 1 A 27 27 SER N N 27 117.990 115.824 2.166 1
1 225 . 12 1 1 A 27 27 SER H H 27 7.774 7.884 -0.110 1
1 226 . 12 1 1 A 27 27 SER CA C 27 61.787 61.380 0.407 1
1 227 . 12 1 1 A 27 27 SER HA H 27 4.157 4.278 -0.121 1
1 228 . 12 1 1 A 27 27 SER CB C 27 62.739 62.841 -0.102 1
1 230 . 12 1 1 A 27 27 SER C C 27 176.731 177.076 -0.345 1
1 232 . 12 1 1 A 28 28 LEU N N 28 125.136 121.863 3.273 1
1 233 . 12 1 1 A 28 28 LEU H H 28 7.236 7.671 -0.435 1
1 234 . 12 1 1 A 28 28 LEU CA C 28 58.242 57.696 0.546 1
1 235 . 12 1 1 A 28 28 LEU HA H 28 3.274 2.400 0.874 1
1 236 . 12 1 1 A 28 28 LEU CB C 28 40.574 41.276 -0.702 1
1 248 . 12 1 1 A 28 28 LEU C C 28 177.489 178.321 -0.832 1
1 250 . 12 1 1 A 29 29 ILE N N 29 120.340 119.380 0.960 1
1 251 . 12 1 1 A 29 29 ILE H H 29 8.396 8.365 0.031 1
1 252 . 12 1 1 A 29 29 ILE CA C 29 65.377 65.394 -0.017 1
1 253 . 12 1 1 A 29 29 ILE HA H 29 3.486 3.473 0.013 1
1 254 . 12 1 1 A 29 29 ILE CB C 29 37.558 37.541 0.017 1
1 266 . 12 1 1 A 29 29 ILE C C 29 178.945 177.696 1.249 1
1 268 . 12 1 1 A 30 30 CYS N N 30 117.810 118.153 -0.343 1
1 269 . 12 1 1 A 30 30 CYS H H 30 7.813 8.401 -0.588 1
1 270 . 12 1 1 A 30 30 CYS CA C 30 62.779 62.533 0.246 1
1 271 . 12 1 1 A 30 30 CYS HA H 30 3.983 4.094 -0.111 1
1 272 . 12 1 1 A 30 30 CYS CB C 30 26.511 27.174 -0.663 1
1 274 . 12 1 1 A 30 30 CYS C C 30 177.558 176.652 0.906 1
1 276 . 12 1 1 A 31 31 HIS N N 31 119.264 120.829 -1.565 1
1 277 . 12 1 1 A 31 31 HIS H H 31 7.738 8.136 -0.398 1
1 278 . 12 1 1 A 31 31 HIS CA C 31 59.109 58.933 0.176 1
1 279 . 12 1 1 A 31 31 HIS HA H 31 4.203 4.212 -0.009 1
1 280 . 12 1 1 A 31 31 HIS CB C 31 28.121 30.098 -1.977 1
1 286 . 12 1 1 A 31 31 HIS C C 31 177.945 176.927 1.018 1
1 288 . 12 1 1 A 32 32 ARG N N 32 120.501 118.038 2.463 1
1 289 . 12 1 1 A 32 32 ARG H H 32 8.745 8.397 0.348 1
1 290 . 12 1 1 A 32 32 ARG CA C 32 60.292 59.688 0.604 1
1 291 . 12 1 1 A 32 32 ARG HA H 32 3.640 3.705 -0.065 1
1 292 . 12 1 1 A 32 32 ARG CB C 32 29.469 29.904 -0.435 1
1 298 . 12 1 1 A 32 32 ARG C C 32 178.129 178.252 -0.123 1
1 302 . 12 1 1 A 33 33 ARG N N 33 117.976 117.969 0.007 1
1 303 . 12 1 1 A 33 33 ARG H H 33 7.283 8.265 -0.982 1
1 304 . 12 1 1 A 33 33 ARG CA C 33 58.703 58.659 0.044 1
1 305 . 12 1 1 A 33 33 ARG HA H 33 4.154 4.068 0.086 1
1 306 . 12 1 1 A 33 33 ARG CB C 33 29.814 30.174 -0.360 1
1 312 . 12 1 1 A 33 33 ARG C C 33 177.957 177.836 0.121 1
1 316 . 12 1 1 A 34 34 SER N N 34 113.862 114.420 -0.558 1
1 317 . 12 1 1 A 34 34 SER H H 34 7.841 8.271 -0.430 1
1 318 . 12 1 1 A 34 34 SER CA C 34 60.492 61.375 -0.883 1
1 319 . 12 1 1 A 34 34 SER HA H 34 4.210 4.165 0.045 1
1 320 . 12 1 1 A 34 34 SER CB C 34 63.284 62.110 1.174 1
1 322 . 12 1 1 A 34 34 SER C C 34 175.028 177.225 -2.197 1
1 324 . 12 1 1 A 35 35 HIS N N 35 119.288 118.685 0.603 1
1 325 . 12 1 1 A 35 35 HIS H H 35 7.313 7.785 -0.472 1
1 326 . 12 1 1 A 35 35 HIS CA C 35 55.647 58.753 -3.106 1
1 327 . 12 1 1 A 35 35 HIS HA H 35 4.865 4.321 0.544 1
1 328 . 12 1 1 A 35 35 HIS CB C 35 28.882 29.435 -0.553 1
1 334 . 12 1 1 A 35 35 HIS C C 35 175.603 176.168 -0.565 1
1 336 . 12 1 1 A 36 36 THR N N 36 112.427 108.729 3.698 1
1 337 . 12 1 1 A 36 36 THR H H 36 7.846 7.613 0.233 1
1 338 . 12 1 1 A 36 36 THR CA C 36 62.411 61.476 0.935 1
1 339 . 12 1 1 A 36 36 THR HA H 36 4.372 4.290 0.082 1
1 340 . 12 1 1 A 36 36 THR CB C 36 69.891 68.628 1.263 1
1 346 . 12 1 1 A 36 36 THR C C 36 175.363 174.815 0.548 1
1 347 . 12 1 1 A 37 37 GLY N N 37 110.984 111.160 -0.176 1
1 348 . 12 1 1 A 37 37 GLY H H 37 8.339 7.823 0.516 1
1 349 . 12 1 1 A 37 37 GLY CA C 37 45.387 44.541 0.846 1
1 350 . 12 1 1 A 37 37 GLY HA3 H 37 3.971 4.041 -0.070 1
1 351 . 12 1 1 A 37 37 GLY C C 37 174.048 172.702 1.346 1
1 352 . 12 1 1 A 37 37 GLY HA2 H 37 3.971 4.035 -0.064 1
1 353 . 12 1 1 A 38 38 GLU N N 38 120.632 123.443 -2.811 1
1 354 . 12 1 1 A 38 38 GLU H H 38 8.114 8.439 -0.325 1
1 355 . 12 1 1 A 38 38 GLU CA C 38 56.455 55.684 0.771 1
1 356 . 12 1 1 A 38 38 GLU HA H 38 4.249 4.561 -0.312 1
1 357 . 12 1 1 A 38 38 GLU CB C 38 30.579 30.470 0.109 1
1 361 . 12 1 1 A 38 38 GLU C C 38 176.214 175.156 1.058 1
1 364 . 12 1 1 A 39 39 LYS N N 39 123.848 128.544 -4.696 1
1 365 . 12 1 1 A 39 39 LYS H H 39 8.429 8.883 -0.454 1
1 366 . 12 1 1 A 39 39 LYS CA C 39 54.125 53.094 1.031 1
1 367 . 12 1 1 A 39 39 LYS HA H 39 4.610 4.840 -0.230 1
1 368 . 12 1 1 A 39 39 LYS CB C 39 32.513 35.915 -3.402 1
1 376 . 12 1 1 A 39 39 LYS C C 39 174.488 175.481 -0.993 1
1 381 . 12 1 1 A 40 40 PRO CA C 40 63.239 62.309 0.930 1
1 382 . 12 1 1 A 40 40 PRO HA H 40 4.464 4.663 -0.199 1
1 383 . 12 1 1 A 40 40 PRO CB C 40 32.143 33.209 -1.066 1
1 392 . 12 1 1 A 43 43 PRO CA C 43 63.278 62.468 0.810 1
1 393 . 12 1 1 A 43 43 PRO HA H 43 4.481 4.698 -0.217 1
1 394 . 12 1 1 A 43 43 PRO CB C 43 32.178 29.587 2.591 1
1 403 . 12 1 1 A 45 45 SER CA C 45 58.395 58.160 0.235 1
1 404 . 12 1 1 A 45 45 SER HA H 45 4.459 4.821 -0.362 1
1 405 . 12 1 1 A 45 45 SER CB C 45 64.014 62.454 1.560 1
1 407 . 12 1 1 A 45 45 SER C C 45 173.893 174.932 -1.039 1
1 1 . 13 1 1 A 8 8 THR CA C 8 61.941 60.813 1.128 1
1 2 . 13 1 1 A 8 8 THR HA H 8 4.370 4.651 -0.281 1
1 3 . 13 1 1 A 8 8 THR CB C 8 69.887 71.317 -1.430 1
1 8 . 13 1 1 A 9 9 GLY CA C 9 45.384 45.999 -0.615 1
1 9 . 13 1 1 A 9 9 GLY HA3 H 9 3.952 4.084 -0.132 1
1 10 . 13 1 1 A 9 9 GLY C C 9 174.059 174.422 -0.363 1
1 11 . 13 1 1 A 9 9 GLY HA2 H 9 3.952 4.084 -0.132 1
1 12 . 13 1 1 A 10 10 GLN N N 10 119.396 119.439 -0.043 1
1 13 . 13 1 1 A 10 10 GLN H H 10 8.197 7.967 0.230 1
1 14 . 13 1 1 A 10 10 GLN CA C 10 56.099 57.124 -1.025 1
1 15 . 13 1 1 A 10 10 GLN HA H 10 4.254 4.609 -0.355 1
1 16 . 13 1 1 A 10 10 GLN CB C 10 29.534 31.079 -1.545 1
1 23 . 13 1 1 A 10 10 GLN C C 10 175.906 176.087 -0.181 1
1 26 . 13 1 1 A 11 11 ARG N N 11 122.290 119.572 2.718 1
1 27 . 13 1 1 A 11 11 ARG H H 11 8.323 7.692 0.631 1
1 28 . 13 1 1 A 11 11 ARG CA C 11 53.699 54.993 -1.294 1
1 29 . 13 1 1 A 11 11 ARG HA H 11 4.536 4.401 0.135 1
1 30 . 13 1 1 A 11 11 ARG CB C 11 30.483 29.949 0.534 1
1 36 . 13 1 1 A 11 11 ARG C C 11 173.683 176.022 -2.339 1
1 40 . 13 1 1 A 12 12 PRO CA C 12 63.397 64.632 -1.235 1
1 41 . 13 1 1 A 12 12 PRO HA H 12 4.285 4.302 -0.017 1
1 42 . 13 1 1 A 12 12 PRO CB C 12 32.234 31.656 0.578 1
1 48 . 13 1 1 A 12 12 PRO C C 12 176.232 175.872 0.360 1
1 52 . 13 1 1 A 13 13 TYR N N 13 118.384 118.383 0.001 1
1 53 . 13 1 1 A 13 13 TYR H H 13 8.076 7.594 0.482 1
1 54 . 13 1 1 A 13 13 TYR CA C 13 57.335 56.816 0.519 1
1 55 . 13 1 1 A 13 13 TYR HA H 13 4.617 5.088 -0.471 1
1 56 . 13 1 1 A 13 13 TYR CB C 13 38.356 39.655 -1.299 1
1 66 . 13 1 1 A 13 13 TYR C C 13 174.768 174.969 -0.201 1
1 68 . 13 1 1 A 14 14 GLU N N 14 123.471 123.087 0.384 1
1 69 . 13 1 1 A 14 14 GLU H H 14 8.460 8.981 -0.521 1
1 70 . 13 1 1 A 14 14 GLU CA C 14 55.233 54.701 0.532 1
1 71 . 13 1 1 A 14 14 GLU HA H 14 4.925 5.414 -0.489 1
1 72 . 13 1 1 A 14 14 GLU CB C 14 32.790 33.121 -0.331 1
1 76 . 13 1 1 A 14 14 GLU C C 14 175.483 175.469 0.014 1
1 79 . 13 1 1 A 15 15 CYS N N 15 126.570 124.073 2.497 1
1 80 . 13 1 1 A 15 15 CYS H H 15 9.293 9.031 0.262 1
1 81 . 13 1 1 A 15 15 CYS CA C 15 59.368 60.014 -0.646 1
1 82 . 13 1 1 A 15 15 CYS HA H 15 4.608 4.643 -0.035 1
1 83 . 13 1 1 A 15 15 CYS CB C 15 29.874 28.473 1.401 1
1 85 . 13 1 1 A 15 15 CYS C C 15 177.332 175.645 1.687 1
1 87 . 13 1 1 A 16 16 ILE N N 16 114.361 129.253 -14.892 1
1 88 . 13 1 1 A 16 16 ILE H H 16 8.857 8.886 -0.029 1
1 89 . 13 1 1 A 16 16 ILE CA C 16 63.249 62.750 0.499 1
1 90 . 13 1 1 A 16 16 ILE HA H 16 4.126 4.233 -0.107 1
1 91 . 13 1 1 A 16 16 ILE CB C 16 38.266 39.043 -0.777 1
1 103 . 13 1 1 A 16 16 ILE C C 16 176.261 177.939 -1.678 1
1 105 . 13 1 1 A 17 17 GLU N N 17 122.365 122.057 0.308 1
1 106 . 13 1 1 A 17 17 GLU H H 17 8.639 7.823 0.816 1
1 107 . 13 1 1 A 17 17 GLU CA C 17 59.363 59.402 -0.039 1
1 108 . 13 1 1 A 17 17 GLU HA H 17 4.154 3.906 0.248 1
1 109 . 13 1 1 A 17 17 GLU CB C 17 29.427 28.822 0.605 1
1 113 . 13 1 1 A 17 17 GLU C C 17 177.603 178.293 -0.690 1
1 116 . 13 1 1 A 18 18 CYS N N 18 114.731 115.126 -0.395 1
1 117 . 13 1 1 A 18 18 CYS H H 18 7.995 7.336 0.659 1
1 118 . 13 1 1 A 18 18 CYS CA C 18 58.612 59.820 -1.208 1
1 119 . 13 1 1 A 18 18 CYS HA H 18 5.146 4.557 0.589 1
1 120 . 13 1 1 A 18 18 CYS CB C 18 32.458 29.262 3.196 1
1 122 . 13 1 1 A 18 18 CYS C C 18 176.248 175.304 0.944 1
1 124 . 13 1 1 A 19 19 GLY N N 19 113.796 109.939 3.857 1
1 125 . 13 1 1 A 19 19 GLY H H 19 8.397 8.081 0.316 1
1 126 . 13 1 1 A 19 19 GLY CA C 19 46.250 45.782 0.468 1
1 127 . 13 1 1 A 19 19 GLY HA3 H 19 3.882 4.089 -0.207 1
1 128 . 13 1 1 A 19 19 GLY C C 19 173.933 173.970 -0.037 1
1 129 . 13 1 1 A 19 19 GLY HA2 H 19 4.222 4.077 0.145 1
1 130 . 13 1 1 A 20 20 LYS N N 20 122.119 118.697 3.422 1
1 131 . 13 1 1 A 20 20 LYS H H 20 7.887 7.837 0.050 1
1 132 . 13 1 1 A 20 20 LYS CA C 20 57.780 54.330 3.450 1
1 133 . 13 1 1 A 20 20 LYS HA H 20 4.046 4.778 -0.732 1
1 134 . 13 1 1 A 20 20 LYS CB C 20 34.226 35.460 -1.234 1
1 142 . 13 1 1 A 20 20 LYS C C 20 173.634 174.768 -1.134 1
1 147 . 13 1 1 A 21 21 ALA N N 21 122.988 120.668 2.320 1
1 148 . 13 1 1 A 21 21 ALA H H 21 7.852 8.366 -0.514 1
1 149 . 13 1 1 A 21 21 ALA CA C 21 50.531 50.444 0.087 1
1 150 . 13 1 1 A 21 21 ALA HA H 21 5.068 5.459 -0.391 1
1 151 . 13 1 1 A 21 21 ALA CB C 21 21.964 23.003 -1.039 1
1 155 . 13 1 1 A 21 21 ALA C C 21 176.493 175.156 1.337 1
1 156 . 13 1 1 A 22 22 PHE N N 22 117.964 117.501 0.463 1
1 157 . 13 1 1 A 22 22 PHE H H 22 8.646 9.154 -0.508 1
1 158 . 13 1 1 A 22 22 PHE CA C 22 57.636 57.036 0.600 1
1 159 . 13 1 1 A 22 22 PHE HA H 22 4.620 4.880 -0.260 1
1 160 . 13 1 1 A 22 22 PHE CB C 22 43.392 43.552 -0.160 1
1 172 . 13 1 1 A 22 22 PHE C C 22 175.473 175.876 -0.403 1
1 174 . 13 1 1 A 23 23 LYS CA C 23 58.582 57.861 0.721 1
1 175 . 13 1 1 A 23 23 LYS HA H 23 4.413 4.477 -0.064 1
1 176 . 13 1 1 A 23 23 LYS CB C 23 34.037 33.345 0.692 1
1 184 . 13 1 1 A 23 23 LYS C C 23 176.876 176.818 0.058 1
1 189 . 13 1 1 A 24 24 THR N N 24 119.640 110.922 8.718 1
1 190 . 13 1 1 A 24 24 THR H H 24 7.250 7.628 -0.378 1
1 191 . 13 1 1 A 24 24 THR CA C 24 58.320 59.529 -1.209 1
1 192 . 13 1 1 A 24 24 THR HA H 24 4.696 4.338 0.358 1
1 193 . 13 1 1 A 24 24 THR CB C 24 72.705 72.702 0.003 1
1 199 . 13 1 1 A 24 24 THR C C 24 173.538 174.092 -0.554 1
1 200 . 13 1 1 A 25 25 LYS N N 25 123.935 121.664 2.271 1
1 201 . 13 1 1 A 25 25 LYS H H 25 8.309 8.618 -0.309 1
1 202 . 13 1 1 A 25 25 LYS CA C 25 58.948 60.092 -1.144 1
1 203 . 13 1 1 A 25 25 LYS HA H 25 3.190 3.528 -0.338 1
1 204 . 13 1 1 A 25 25 LYS CB C 25 31.814 32.104 -0.290 1
1 211 . 13 1 1 A 25 25 LYS C C 25 178.575 178.681 -0.106 1
1 216 . 13 1 1 A 26 26 SER N N 26 112.737 114.548 -1.811 1
1 217 . 13 1 1 A 26 26 SER H H 26 8.378 8.076 0.302 1
1 218 . 13 1 1 A 26 26 SER CA C 26 61.462 61.550 -0.088 1
1 219 . 13 1 1 A 26 26 SER HA H 26 4.001 4.027 -0.026 1
1 220 . 13 1 1 A 26 26 SER CB C 26 61.997 63.166 -1.169 1
1 222 . 13 1 1 A 26 26 SER C C 26 177.274 176.437 0.837 1
1 224 . 13 1 1 A 27 27 SER N N 27 117.990 116.966 1.024 1
1 225 . 13 1 1 A 27 27 SER H H 27 7.774 7.870 -0.096 1
1 226 . 13 1 1 A 27 27 SER CA C 27 61.787 62.148 -0.361 1
1 227 . 13 1 1 A 27 27 SER HA H 27 4.157 4.125 0.032 1
1 228 . 13 1 1 A 27 27 SER CB C 27 62.739 63.135 -0.396 1
1 230 . 13 1 1 A 27 27 SER C C 27 176.731 175.896 0.835 1
1 232 . 13 1 1 A 28 28 LEU N N 28 125.136 121.605 3.531 1
1 233 . 13 1 1 A 28 28 LEU H H 28 7.236 7.541 -0.305 1
1 234 . 13 1 1 A 28 28 LEU CA C 28 58.242 58.067 0.175 1
1 235 . 13 1 1 A 28 28 LEU HA H 28 3.274 2.612 0.662 1
1 236 . 13 1 1 A 28 28 LEU CB C 28 40.574 41.523 -0.949 1
1 248 . 13 1 1 A 28 28 LEU C C 28 177.489 178.195 -0.706 1
1 250 . 13 1 1 A 29 29 ILE N N 29 120.340 118.877 1.463 1
1 251 . 13 1 1 A 29 29 ILE H H 29 8.396 8.224 0.172 1
1 252 . 13 1 1 A 29 29 ILE CA C 29 65.377 65.152 0.225 1
1 253 . 13 1 1 A 29 29 ILE HA H 29 3.486 3.636 -0.150 1
1 254 . 13 1 1 A 29 29 ILE CB C 29 37.558 37.709 -0.151 1
1 266 . 13 1 1 A 29 29 ILE C C 29 178.945 178.521 0.424 1
1 268 . 13 1 1 A 30 30 CYS N N 30 117.810 121.010 -3.200 1
1 269 . 13 1 1 A 30 30 CYS H H 30 7.813 8.042 -0.229 1
1 270 . 13 1 1 A 30 30 CYS CA C 30 62.779 62.713 0.066 1
1 271 . 13 1 1 A 30 30 CYS HA H 30 3.983 4.007 -0.024 1
1 272 . 13 1 1 A 30 30 CYS CB C 30 26.511 26.802 -0.291 1
1 274 . 13 1 1 A 30 30 CYS C C 30 177.558 176.628 0.930 1
1 276 . 13 1 1 A 31 31 HIS N N 31 119.264 120.200 -0.936 1
1 277 . 13 1 1 A 31 31 HIS H H 31 7.738 8.107 -0.369 1
1 278 . 13 1 1 A 31 31 HIS CA C 31 59.109 59.926 -0.817 1
1 279 . 13 1 1 A 31 31 HIS HA H 31 4.203 4.034 0.169 1
1 280 . 13 1 1 A 31 31 HIS CB C 31 28.121 29.591 -1.470 1
1 286 . 13 1 1 A 31 31 HIS C C 31 177.945 176.701 1.244 1
1 288 . 13 1 1 A 32 32 ARG N N 32 120.501 117.601 2.900 1
1 289 . 13 1 1 A 32 32 ARG H H 32 8.745 8.475 0.270 1
1 290 . 13 1 1 A 32 32 ARG CA C 32 60.292 59.406 0.886 1
1 291 . 13 1 1 A 32 32 ARG HA H 32 3.640 4.100 -0.460 1
1 292 . 13 1 1 A 32 32 ARG CB C 32 29.469 29.899 -0.430 1
1 298 . 13 1 1 A 32 32 ARG C C 32 178.129 178.170 -0.041 1
1 302 . 13 1 1 A 33 33 ARG N N 33 117.976 119.530 -1.554 1
1 303 . 13 1 1 A 33 33 ARG H H 33 7.283 7.996 -0.713 1
1 304 . 13 1 1 A 33 33 ARG CA C 33 58.703 58.541 0.162 1
1 305 . 13 1 1 A 33 33 ARG HA H 33 4.154 4.141 0.013 1
1 306 . 13 1 1 A 33 33 ARG CB C 33 29.814 30.797 -0.983 1
1 312 . 13 1 1 A 33 33 ARG C C 33 177.957 178.491 -0.534 1
1 316 . 13 1 1 A 34 34 SER N N 34 113.862 116.823 -2.961 1
1 317 . 13 1 1 A 34 34 SER H H 34 7.841 7.647 0.194 1
1 318 . 13 1 1 A 34 34 SER CA C 34 60.492 62.220 -1.728 1
1 319 . 13 1 1 A 34 34 SER HA H 34 4.210 4.037 0.173 1
1 320 . 13 1 1 A 34 34 SER CB C 34 63.284 62.773 0.511 1
1 322 . 13 1 1 A 34 34 SER C C 34 175.028 176.679 -1.651 1
1 324 . 13 1 1 A 35 35 HIS N N 35 119.288 118.098 1.190 1
1 325 . 13 1 1 A 35 35 HIS H H 35 7.313 7.344 -0.031 1
1 326 . 13 1 1 A 35 35 HIS CA C 35 55.647 58.621 -2.974 1
1 327 . 13 1 1 A 35 35 HIS HA H 35 4.865 4.347 0.518 1
1 328 . 13 1 1 A 35 35 HIS CB C 35 28.882 30.024 -1.142 1
1 334 . 13 1 1 A 35 35 HIS C C 35 175.603 176.235 -0.632 1
1 336 . 13 1 1 A 36 36 THR N N 36 112.427 111.667 0.760 1
1 337 . 13 1 1 A 36 36 THR H H 36 7.846 7.764 0.082 1
1 338 . 13 1 1 A 36 36 THR CA C 36 62.411 63.143 -0.732 1
1 339 . 13 1 1 A 36 36 THR HA H 36 4.372 4.158 0.214 1
1 340 . 13 1 1 A 36 36 THR CB C 36 69.891 69.123 0.768 1
1 346 . 13 1 1 A 36 36 THR C C 36 175.363 173.979 1.384 1
1 347 . 13 1 1 A 37 37 GLY N N 37 110.984 113.816 -2.832 1
1 348 . 13 1 1 A 37 37 GLY H H 37 8.339 8.464 -0.125 1
1 349 . 13 1 1 A 37 37 GLY CA C 37 45.387 46.261 -0.874 1
1 350 . 13 1 1 A 37 37 GLY HA3 H 37 3.971 4.212 -0.241 1
1 351 . 13 1 1 A 37 37 GLY C C 37 174.048 172.156 1.892 1
1 352 . 13 1 1 A 37 37 GLY HA2 H 37 3.971 4.210 -0.239 1
1 353 . 13 1 1 A 38 38 GLU N N 38 120.632 122.103 -1.471 1
1 354 . 13 1 1 A 38 38 GLU H H 38 8.114 8.378 -0.264 1
1 355 . 13 1 1 A 38 38 GLU CA C 38 56.455 56.584 -0.129 1
1 356 . 13 1 1 A 38 38 GLU HA H 38 4.249 4.352 -0.103 1
1 357 . 13 1 1 A 38 38 GLU CB C 38 30.579 30.106 0.473 1
1 361 . 13 1 1 A 38 38 GLU C C 38 176.214 176.667 -0.453 1
1 364 . 13 1 1 A 39 39 LYS N N 39 123.848 124.661 -0.813 1
1 365 . 13 1 1 A 39 39 LYS H H 39 8.429 8.447 -0.018 1
1 366 . 13 1 1 A 39 39 LYS CA C 39 54.125 55.016 -0.891 1
1 367 . 13 1 1 A 39 39 LYS HA H 39 4.610 4.307 0.303 1
1 368 . 13 1 1 A 39 39 LYS CB C 39 32.513 32.106 0.407 1
1 376 . 13 1 1 A 39 39 LYS C C 39 174.488 176.556 -2.068 1
1 381 . 13 1 1 A 40 40 PRO CA C 40 63.239 64.242 -1.003 1
1 382 . 13 1 1 A 40 40 PRO HA H 40 4.464 4.541 -0.077 1
1 383 . 13 1 1 A 40 40 PRO CB C 40 32.143 31.740 0.403 1
1 392 . 13 1 1 A 43 43 PRO CA C 43 63.278 63.848 -0.570 1
1 393 . 13 1 1 A 43 43 PRO HA H 43 4.481 4.478 0.003 1
1 394 . 13 1 1 A 43 43 PRO CB C 43 32.178 32.131 0.047 1
1 403 . 13 1 1 A 45 45 SER CA C 45 58.395 59.210 -0.815 1
1 404 . 13 1 1 A 45 45 SER HA H 45 4.459 4.232 0.227 1
1 405 . 13 1 1 A 45 45 SER CB C 45 64.014 64.559 -0.545 1
1 407 . 13 1 1 A 45 45 SER C C 45 173.893 175.745 -1.852 1
1 1 . 14 1 1 A 8 8 THR CA C 8 61.941 64.440 -2.499 1
1 2 . 14 1 1 A 8 8 THR HA H 8 4.370 4.032 0.338 1
1 3 . 14 1 1 A 8 8 THR CB C 8 69.887 68.754 1.133 1
1 8 . 14 1 1 A 9 9 GLY CA C 9 45.384 45.102 0.282 1
1 9 . 14 1 1 A 9 9 GLY HA3 H 9 3.952 4.107 -0.155 1
1 10 . 14 1 1 A 9 9 GLY C C 9 174.059 173.643 0.416 1
1 11 . 14 1 1 A 9 9 GLY HA2 H 9 3.952 4.107 -0.155 1
1 12 . 14 1 1 A 10 10 GLN N N 10 119.396 121.048 -1.652 1
1 13 . 14 1 1 A 10 10 GLN H H 10 8.197 8.384 -0.187 1
1 14 . 14 1 1 A 10 10 GLN CA C 10 56.099 53.901 2.198 1
1 15 . 14 1 1 A 10 10 GLN HA H 10 4.254 5.025 -0.771 1
1 16 . 14 1 1 A 10 10 GLN CB C 10 29.534 32.076 -2.542 1
1 23 . 14 1 1 A 10 10 GLN C C 10 175.906 174.534 1.372 1
1 26 . 14 1 1 A 11 11 ARG N N 11 122.290 120.900 1.390 1
1 27 . 14 1 1 A 11 11 ARG H H 11 8.323 8.559 -0.236 1
1 28 . 14 1 1 A 11 11 ARG CA C 11 53.699 52.847 0.852 1
1 29 . 14 1 1 A 11 11 ARG HA H 11 4.536 4.769 -0.233 1
1 30 . 14 1 1 A 11 11 ARG CB C 11 30.483 31.515 -1.032 1
1 36 . 14 1 1 A 11 11 ARG C C 11 173.683 175.855 -2.172 1
1 40 . 14 1 1 A 12 12 PRO CA C 12 63.397 64.251 -0.854 1
1 41 . 14 1 1 A 12 12 PRO HA H 12 4.285 4.320 -0.035 1
1 42 . 14 1 1 A 12 12 PRO CB C 12 32.234 31.413 0.821 1
1 48 . 14 1 1 A 12 12 PRO C C 12 176.232 175.770 0.462 1
1 52 . 14 1 1 A 13 13 TYR N N 13 118.384 118.504 -0.120 1
1 53 . 14 1 1 A 13 13 TYR H H 13 8.076 7.424 0.652 1
1 54 . 14 1 1 A 13 13 TYR CA C 13 57.335 56.946 0.389 1
1 55 . 14 1 1 A 13 13 TYR HA H 13 4.617 5.170 -0.553 1
1 56 . 14 1 1 A 13 13 TYR CB C 13 38.356 39.938 -1.582 1
1 66 . 14 1 1 A 13 13 TYR C C 13 174.768 175.147 -0.379 1
1 68 . 14 1 1 A 14 14 GLU N N 14 123.471 123.137 0.334 1
1 69 . 14 1 1 A 14 14 GLU H H 14 8.460 9.060 -0.600 1
1 70 . 14 1 1 A 14 14 GLU CA C 14 55.233 54.727 0.506 1
1 71 . 14 1 1 A 14 14 GLU HA H 14 4.925 5.241 -0.316 1
1 72 . 14 1 1 A 14 14 GLU CB C 14 32.790 34.565 -1.775 1
1 76 . 14 1 1 A 14 14 GLU C C 14 175.483 174.729 0.754 1
1 79 . 14 1 1 A 15 15 CYS N N 15 126.570 120.520 6.050 1
1 80 . 14 1 1 A 15 15 CYS H H 15 9.293 9.090 0.203 1
1 81 . 14 1 1 A 15 15 CYS CA C 15 59.368 57.167 2.201 1
1 82 . 14 1 1 A 15 15 CYS HA H 15 4.608 5.076 -0.468 1
1 83 . 14 1 1 A 15 15 CYS CB C 15 29.874 30.619 -0.745 1
1 85 . 14 1 1 A 15 15 CYS C C 15 177.332 174.974 2.358 1
1 87 . 14 1 1 A 16 16 ILE N N 16 114.361 127.708 -13.347 1
1 88 . 14 1 1 A 16 16 ILE H H 16 8.857 8.770 0.087 1
1 89 . 14 1 1 A 16 16 ILE CA C 16 63.249 64.558 -1.309 1
1 90 . 14 1 1 A 16 16 ILE HA H 16 4.126 3.860 0.266 1
1 91 . 14 1 1 A 16 16 ILE CB C 16 38.266 37.427 0.839 1
1 103 . 14 1 1 A 16 16 ILE C C 16 176.261 177.504 -1.243 1
1 105 . 14 1 1 A 17 17 GLU N N 17 122.365 120.040 2.325 1
1 106 . 14 1 1 A 17 17 GLU H H 17 8.639 8.105 0.534 1
1 107 . 14 1 1 A 17 17 GLU CA C 17 59.363 59.533 -0.170 1
1 108 . 14 1 1 A 17 17 GLU HA H 17 4.154 3.947 0.207 1
1 109 . 14 1 1 A 17 17 GLU CB C 17 29.427 28.926 0.501 1
1 113 . 14 1 1 A 17 17 GLU C C 17 177.603 178.091 -0.488 1
1 116 . 14 1 1 A 18 18 CYS N N 18 114.731 114.371 0.360 1
1 117 . 14 1 1 A 18 18 CYS H H 18 7.995 7.843 0.152 1
1 118 . 14 1 1 A 18 18 CYS CA C 18 58.612 59.480 -0.868 1
1 119 . 14 1 1 A 18 18 CYS HA H 18 5.146 4.806 0.340 1
1 120 . 14 1 1 A 18 18 CYS CB C 18 32.458 30.302 2.156 1
1 122 . 14 1 1 A 18 18 CYS C C 18 176.248 175.904 0.344 1
1 124 . 14 1 1 A 19 19 GLY N N 19 113.796 110.472 3.324 1
1 125 . 14 1 1 A 19 19 GLY H H 19 8.397 8.642 -0.245 1
1 126 . 14 1 1 A 19 19 GLY CA C 19 46.250 45.412 0.838 1
1 127 . 14 1 1 A 19 19 GLY HA3 H 19 3.882 4.068 -0.186 1
1 128 . 14 1 1 A 19 19 GLY C C 19 173.933 174.195 -0.262 1
1 129 . 14 1 1 A 19 19 GLY HA2 H 19 4.222 4.057 0.165 1
1 130 . 14 1 1 A 20 20 LYS N N 20 122.119 119.131 2.988 1
1 131 . 14 1 1 A 20 20 LYS H H 20 7.887 7.887 0.000 1
1 132 . 14 1 1 A 20 20 LYS CA C 20 57.780 54.224 3.556 1
1 133 . 14 1 1 A 20 20 LYS HA H 20 4.046 4.650 -0.604 1
1 134 . 14 1 1 A 20 20 LYS CB C 20 34.226 34.320 -0.094 1
1 142 . 14 1 1 A 20 20 LYS C C 20 173.634 175.274 -1.640 1
1 147 . 14 1 1 A 21 21 ALA N N 21 122.988 123.089 -0.101 1
1 148 . 14 1 1 A 21 21 ALA H H 21 7.852 8.617 -0.765 1
1 149 . 14 1 1 A 21 21 ALA CA C 21 50.531 50.004 0.527 1
1 150 . 14 1 1 A 21 21 ALA HA H 21 5.068 5.546 -0.478 1
1 151 . 14 1 1 A 21 21 ALA CB C 21 21.964 22.762 -0.798 1
1 155 . 14 1 1 A 21 21 ALA C C 21 176.493 175.654 0.839 1
1 156 . 14 1 1 A 22 22 PHE N N 22 117.964 117.050 0.914 1
1 157 . 14 1 1 A 22 22 PHE H H 22 8.646 8.837 -0.191 1
1 158 . 14 1 1 A 22 22 PHE CA C 22 57.636 55.933 1.703 1
1 159 . 14 1 1 A 22 22 PHE HA H 22 4.620 4.989 -0.369 1
1 160 . 14 1 1 A 22 22 PHE CB C 22 43.392 42.952 0.440 1
1 172 . 14 1 1 A 22 22 PHE C C 22 175.473 176.159 -0.686 1
1 174 . 14 1 1 A 23 23 LYS CA C 23 58.582 58.553 0.029 1
1 175 . 14 1 1 A 23 23 LYS HA H 23 4.413 4.243 0.170 1
1 176 . 14 1 1 A 23 23 LYS CB C 23 34.037 32.493 1.544 1
1 184 . 14 1 1 A 23 23 LYS C C 23 176.876 176.368 0.508 1
1 189 . 14 1 1 A 24 24 THR N N 24 119.640 109.904 9.736 1
1 190 . 14 1 1 A 24 24 THR H H 24 7.250 7.677 -0.427 1
1 191 . 14 1 1 A 24 24 THR CA C 24 58.320 59.892 -1.572 1
1 192 . 14 1 1 A 24 24 THR HA H 24 4.696 4.809 -0.113 1
1 193 . 14 1 1 A 24 24 THR CB C 24 72.705 71.861 0.844 1
1 199 . 14 1 1 A 24 24 THR C C 24 173.538 174.435 -0.897 1
1 200 . 14 1 1 A 25 25 LYS N N 25 123.935 123.541 0.394 1
1 201 . 14 1 1 A 25 25 LYS H H 25 8.309 8.143 0.166 1
1 202 . 14 1 1 A 25 25 LYS CA C 25 58.948 59.943 -0.995 1
1 203 . 14 1 1 A 25 25 LYS HA H 25 3.190 3.352 -0.162 1
1 204 . 14 1 1 A 25 25 LYS CB C 25 31.814 31.453 0.361 1
1 211 . 14 1 1 A 25 25 LYS C C 25 178.575 177.602 0.973 1
1 216 . 14 1 1 A 26 26 SER N N 26 112.737 114.381 -1.644 1
1 217 . 14 1 1 A 26 26 SER H H 26 8.378 7.806 0.572 1
1 218 . 14 1 1 A 26 26 SER CA C 26 61.462 61.423 0.039 1
1 219 . 14 1 1 A 26 26 SER HA H 26 4.001 3.975 0.026 1
1 220 . 14 1 1 A 26 26 SER CB C 26 61.997 62.797 -0.800 1
1 222 . 14 1 1 A 26 26 SER C C 26 177.274 176.489 0.785 1
1 224 . 14 1 1 A 27 27 SER N N 27 117.990 117.054 0.936 1
1 225 . 14 1 1 A 27 27 SER H H 27 7.774 7.671 0.103 1
1 226 . 14 1 1 A 27 27 SER CA C 27 61.787 62.286 -0.499 1
1 227 . 14 1 1 A 27 27 SER HA H 27 4.157 4.116 0.041 1
1 228 . 14 1 1 A 27 27 SER CB C 27 62.739 63.059 -0.320 1
1 230 . 14 1 1 A 27 27 SER C C 27 176.731 175.881 0.850 1
1 232 . 14 1 1 A 28 28 LEU N N 28 125.136 122.019 3.117 1
1 233 . 14 1 1 A 28 28 LEU H H 28 7.236 7.598 -0.362 1
1 234 . 14 1 1 A 28 28 LEU CA C 28 58.242 57.117 1.125 1
1 235 . 14 1 1 A 28 28 LEU HA H 28 3.274 2.716 0.558 1
1 236 . 14 1 1 A 28 28 LEU CB C 28 40.574 41.629 -1.055 1
1 248 . 14 1 1 A 28 28 LEU C C 28 177.489 178.736 -1.247 1
1 250 . 14 1 1 A 29 29 ILE N N 29 120.340 118.510 1.830 1
1 251 . 14 1 1 A 29 29 ILE H H 29 8.396 8.096 0.300 1
1 252 . 14 1 1 A 29 29 ILE CA C 29 65.377 65.093 0.284 1
1 253 . 14 1 1 A 29 29 ILE HA H 29 3.486 3.407 0.079 1
1 254 . 14 1 1 A 29 29 ILE CB C 29 37.558 38.239 -0.681 1
1 266 . 14 1 1 A 29 29 ILE C C 29 178.945 177.691 1.254 1
1 268 . 14 1 1 A 30 30 CYS N N 30 117.810 120.531 -2.721 1
1 269 . 14 1 1 A 30 30 CYS H H 30 7.813 7.730 0.083 1
1 270 . 14 1 1 A 30 30 CYS CA C 30 62.779 62.241 0.538 1
1 271 . 14 1 1 A 30 30 CYS HA H 30 3.983 4.339 -0.356 1
1 272 . 14 1 1 A 30 30 CYS CB C 30 26.511 27.150 -0.639 1
1 274 . 14 1 1 A 30 30 CYS C C 30 177.558 176.809 0.749 1
1 276 . 14 1 1 A 31 31 HIS N N 31 119.264 120.752 -1.488 1
1 277 . 14 1 1 A 31 31 HIS H H 31 7.738 7.402 0.336 1
1 278 . 14 1 1 A 31 31 HIS CA C 31 59.109 58.946 0.163 1
1 279 . 14 1 1 A 31 31 HIS HA H 31 4.203 4.267 -0.064 1
1 280 . 14 1 1 A 31 31 HIS CB C 31 28.121 30.209 -2.088 1
1 286 . 14 1 1 A 31 31 HIS C C 31 177.945 177.264 0.681 1
1 288 . 14 1 1 A 32 32 ARG N N 32 120.501 118.354 2.147 1
1 289 . 14 1 1 A 32 32 ARG H H 32 8.745 8.594 0.151 1
1 290 . 14 1 1 A 32 32 ARG CA C 32 60.292 58.861 1.431 1
1 291 . 14 1 1 A 32 32 ARG HA H 32 3.640 4.289 -0.649 1
1 292 . 14 1 1 A 32 32 ARG CB C 32 29.469 29.755 -0.286 1
1 298 . 14 1 1 A 32 32 ARG C C 32 178.129 177.473 0.656 1
1 302 . 14 1 1 A 33 33 ARG N N 33 117.976 120.138 -2.162 1
1 303 . 14 1 1 A 33 33 ARG H H 33 7.283 7.737 -0.454 1
1 304 . 14 1 1 A 33 33 ARG CA C 33 58.703 58.853 -0.150 1
1 305 . 14 1 1 A 33 33 ARG HA H 33 4.154 4.096 0.058 1
1 306 . 14 1 1 A 33 33 ARG CB C 33 29.814 30.023 -0.209 1
1 312 . 14 1 1 A 33 33 ARG C C 33 177.957 178.643 -0.686 1
1 316 . 14 1 1 A 34 34 SER N N 34 113.862 116.776 -2.914 1
1 317 . 14 1 1 A 34 34 SER H H 34 7.841 8.242 -0.401 1
1 318 . 14 1 1 A 34 34 SER CA C 34 60.492 62.205 -1.713 1
1 319 . 14 1 1 A 34 34 SER HA H 34 4.210 4.074 0.136 1
1 320 . 14 1 1 A 34 34 SER CB C 34 63.284 63.032 0.252 1
1 322 . 14 1 1 A 34 34 SER C C 34 175.028 176.033 -1.005 1
1 324 . 14 1 1 A 35 35 HIS N N 35 119.288 118.932 0.356 1
1 325 . 14 1 1 A 35 35 HIS H H 35 7.313 7.438 -0.125 1
1 326 . 14 1 1 A 35 35 HIS CA C 35 55.647 58.612 -2.965 1
1 327 . 14 1 1 A 35 35 HIS HA H 35 4.865 4.376 0.489 1
1 328 . 14 1 1 A 35 35 HIS CB C 35 28.882 29.541 -0.659 1
1 334 . 14 1 1 A 35 35 HIS C C 35 175.603 175.810 -0.207 1
1 336 . 14 1 1 A 36 36 THR N N 36 112.427 111.006 1.421 1
1 337 . 14 1 1 A 36 36 THR H H 36 7.846 7.457 0.389 1
1 338 . 14 1 1 A 36 36 THR CA C 36 62.411 62.824 -0.413 1
1 339 . 14 1 1 A 36 36 THR HA H 36 4.372 4.114 0.258 1
1 340 . 14 1 1 A 36 36 THR CB C 36 69.891 69.055 0.836 1
1 346 . 14 1 1 A 36 36 THR C C 36 175.363 174.541 0.822 1
1 347 . 14 1 1 A 37 37 GLY N N 37 110.984 110.259 0.725 1
1 348 . 14 1 1 A 37 37 GLY H H 37 8.339 8.454 -0.115 1
1 349 . 14 1 1 A 37 37 GLY CA C 37 45.387 46.273 -0.886 1
1 350 . 14 1 1 A 37 37 GLY HA3 H 37 3.971 4.225 -0.254 1
1 351 . 14 1 1 A 37 37 GLY C C 37 174.048 171.165 2.883 1
1 352 . 14 1 1 A 37 37 GLY HA2 H 37 3.971 4.223 -0.252 1
1 353 . 14 1 1 A 38 38 GLU N N 38 120.632 124.597 -3.965 1
1 354 . 14 1 1 A 38 38 GLU H H 38 8.114 8.893 -0.779 1
1 355 . 14 1 1 A 38 38 GLU CA C 38 56.455 54.848 1.607 1
1 356 . 14 1 1 A 38 38 GLU HA H 38 4.249 5.087 -0.838 1
1 357 . 14 1 1 A 38 38 GLU CB C 38 30.579 33.330 -2.751 1
1 361 . 14 1 1 A 38 38 GLU C C 38 176.214 175.346 0.868 1
1 364 . 14 1 1 A 39 39 LYS N N 39 123.848 126.030 -2.182 1
1 365 . 14 1 1 A 39 39 LYS H H 39 8.429 8.522 -0.093 1
1 366 . 14 1 1 A 39 39 LYS CA C 39 54.125 53.915 0.210 1
1 367 . 14 1 1 A 39 39 LYS HA H 39 4.610 4.645 -0.035 1
1 368 . 14 1 1 A 39 39 LYS CB C 39 32.513 31.957 0.556 1
1 376 . 14 1 1 A 39 39 LYS C C 39 174.488 174.726 -0.238 1
1 381 . 14 1 1 A 40 40 PRO CA C 40 63.239 62.733 0.506 1
1 382 . 14 1 1 A 40 40 PRO HA H 40 4.464 4.649 -0.185 1
1 383 . 14 1 1 A 40 40 PRO CB C 40 32.143 31.695 0.448 1
1 392 . 14 1 1 A 43 43 PRO CA C 43 63.278 62.751 0.527 1
1 393 . 14 1 1 A 43 43 PRO HA H 43 4.481 4.744 -0.263 1
1 394 . 14 1 1 A 43 43 PRO CB C 43 32.178 31.644 0.534 1
1 403 . 14 1 1 A 45 45 SER CA C 45 58.395 57.079 1.316 1
1 404 . 14 1 1 A 45 45 SER HA H 45 4.459 5.487 -1.028 1
1 405 . 14 1 1 A 45 45 SER CB C 45 64.014 66.096 -2.082 1
1 407 . 14 1 1 A 45 45 SER C C 45 173.893 173.462 0.431 1
1 1 . 15 1 1 A 8 8 THR CA C 8 61.941 63.501 -1.560 1
1 2 . 15 1 1 A 8 8 THR HA H 8 4.370 4.292 0.078 1
1 3 . 15 1 1 A 8 8 THR CB C 8 69.887 70.029 -0.142 1
1 8 . 15 1 1 A 9 9 GLY CA C 9 45.384 45.889 -0.505 1
1 9 . 15 1 1 A 9 9 GLY HA3 H 9 3.952 4.000 -0.048 1
1 10 . 15 1 1 A 9 9 GLY C C 9 174.059 171.745 2.314 1
1 11 . 15 1 1 A 9 9 GLY HA2 H 9 3.952 3.993 -0.041 1
1 12 . 15 1 1 A 10 10 GLN N N 10 119.396 122.445 -3.049 1
1 13 . 15 1 1 A 10 10 GLN H H 10 8.197 8.485 -0.288 1
1 14 . 15 1 1 A 10 10 GLN CA C 10 56.099 55.025 1.074 1
1 15 . 15 1 1 A 10 10 GLN HA H 10 4.254 4.788 -0.534 1
1 16 . 15 1 1 A 10 10 GLN CB C 10 29.534 29.284 0.250 1
1 23 . 15 1 1 A 10 10 GLN C C 10 175.906 174.900 1.006 1
1 26 . 15 1 1 A 11 11 ARG N N 11 122.290 125.840 -3.550 1
1 27 . 15 1 1 A 11 11 ARG H H 11 8.323 8.195 0.128 1
1 28 . 15 1 1 A 11 11 ARG CA C 11 53.699 52.755 0.944 1
1 29 . 15 1 1 A 11 11 ARG HA H 11 4.536 4.819 -0.283 1
1 30 . 15 1 1 A 11 11 ARG CB C 11 30.483 31.620 -1.137 1
1 36 . 15 1 1 A 11 11 ARG C C 11 173.683 175.798 -2.115 1
1 40 . 15 1 1 A 12 12 PRO CA C 12 63.397 63.907 -0.510 1
1 41 . 15 1 1 A 12 12 PRO HA H 12 4.285 4.303 -0.018 1
1 42 . 15 1 1 A 12 12 PRO CB C 12 32.234 31.430 0.804 1
1 48 . 15 1 1 A 12 12 PRO C C 12 176.232 175.632 0.600 1
1 52 . 15 1 1 A 13 13 TYR N N 13 118.384 118.386 -0.002 1
1 53 . 15 1 1 A 13 13 TYR H H 13 8.076 7.502 0.574 1
1 54 . 15 1 1 A 13 13 TYR CA C 13 57.335 56.552 0.783 1
1 55 . 15 1 1 A 13 13 TYR HA H 13 4.617 5.315 -0.698 1
1 56 . 15 1 1 A 13 13 TYR CB C 13 38.356 41.171 -2.815 1
1 66 . 15 1 1 A 13 13 TYR C C 13 174.768 174.740 0.028 1
1 68 . 15 1 1 A 14 14 GLU N N 14 123.471 123.286 0.185 1
1 69 . 15 1 1 A 14 14 GLU H H 14 8.460 8.874 -0.414 1
1 70 . 15 1 1 A 14 14 GLU CA C 14 55.233 54.593 0.640 1
1 71 . 15 1 1 A 14 14 GLU HA H 14 4.925 5.338 -0.413 1
1 72 . 15 1 1 A 14 14 GLU CB C 14 32.790 33.530 -0.740 1
1 76 . 15 1 1 A 14 14 GLU C C 14 175.483 175.255 0.228 1
1 79 . 15 1 1 A 15 15 CYS N N 15 126.570 123.400 3.170 1
1 80 . 15 1 1 A 15 15 CYS H H 15 9.293 9.554 -0.261 1
1 81 . 15 1 1 A 15 15 CYS CA C 15 59.368 59.535 -0.167 1
1 82 . 15 1 1 A 15 15 CYS HA H 15 4.608 4.632 -0.024 1
1 83 . 15 1 1 A 15 15 CYS CB C 15 29.874 28.526 1.348 1
1 85 . 15 1 1 A 15 15 CYS C C 15 177.332 175.928 1.404 1
1 87 . 15 1 1 A 16 16 ILE N N 16 114.361 129.856 -15.495 1
1 88 . 15 1 1 A 16 16 ILE H H 16 8.857 8.910 -0.053 1
1 89 . 15 1 1 A 16 16 ILE CA C 16 63.249 63.264 -0.015 1
1 90 . 15 1 1 A 16 16 ILE HA H 16 4.126 4.128 -0.002 1
1 91 . 15 1 1 A 16 16 ILE CB C 16 38.266 38.653 -0.387 1
1 103 . 15 1 1 A 16 16 ILE C C 16 176.261 177.994 -1.733 1
1 105 . 15 1 1 A 17 17 GLU N N 17 122.365 121.958 0.407 1
1 106 . 15 1 1 A 17 17 GLU H H 17 8.639 8.320 0.319 1
1 107 . 15 1 1 A 17 17 GLU CA C 17 59.363 59.654 -0.291 1
1 108 . 15 1 1 A 17 17 GLU HA H 17 4.154 3.905 0.249 1
1 109 . 15 1 1 A 17 17 GLU CB C 17 29.427 29.011 0.416 1
1 113 . 15 1 1 A 17 17 GLU C C 17 177.603 178.037 -0.434 1
1 116 . 15 1 1 A 18 18 CYS N N 18 114.731 114.763 -0.032 1
1 117 . 15 1 1 A 18 18 CYS H H 18 7.995 7.388 0.607 1
1 118 . 15 1 1 A 18 18 CYS CA C 18 58.612 59.638 -1.026 1
1 119 . 15 1 1 A 18 18 CYS HA H 18 5.146 4.627 0.519 1
1 120 . 15 1 1 A 18 18 CYS CB C 18 32.458 29.919 2.539 1
1 122 . 15 1 1 A 18 18 CYS C C 18 176.248 175.253 0.995 1
1 124 . 15 1 1 A 19 19 GLY N N 19 113.796 109.739 4.057 1
1 125 . 15 1 1 A 19 19 GLY H H 19 8.397 8.246 0.151 1
1 126 . 15 1 1 A 19 19 GLY CA C 19 46.250 46.068 0.182 1
1 127 . 15 1 1 A 19 19 GLY HA3 H 19 3.882 4.097 -0.215 1
1 128 . 15 1 1 A 19 19 GLY C C 19 173.933 173.969 -0.036 1
1 129 . 15 1 1 A 19 19 GLY HA2 H 19 4.222 4.082 0.140 1
1 130 . 15 1 1 A 20 20 LYS N N 20 122.119 118.781 3.338 1
1 131 . 15 1 1 A 20 20 LYS H H 20 7.887 7.715 0.172 1
1 132 . 15 1 1 A 20 20 LYS CA C 20 57.780 54.210 3.570 1
1 133 . 15 1 1 A 20 20 LYS HA H 20 4.046 4.859 -0.813 1
1 134 . 15 1 1 A 20 20 LYS CB C 20 34.226 36.273 -2.047 1
1 142 . 15 1 1 A 20 20 LYS C C 20 173.634 174.804 -1.170 1
1 147 . 15 1 1 A 21 21 ALA N N 21 122.988 120.709 2.279 1
1 148 . 15 1 1 A 21 21 ALA H H 21 7.852 8.309 -0.457 1
1 149 . 15 1 1 A 21 21 ALA CA C 21 50.531 51.309 -0.778 1
1 150 . 15 1 1 A 21 21 ALA HA H 21 5.068 5.302 -0.234 1
1 151 . 15 1 1 A 21 21 ALA CB C 21 21.964 22.485 -0.521 1
1 155 . 15 1 1 A 21 21 ALA C C 21 176.493 175.245 1.248 1
1 156 . 15 1 1 A 22 22 PHE N N 22 117.964 120.418 -2.454 1
1 157 . 15 1 1 A 22 22 PHE H H 22 8.646 9.411 -0.765 1
1 158 . 15 1 1 A 22 22 PHE CA C 22 57.636 56.723 0.913 1
1 159 . 15 1 1 A 22 22 PHE HA H 22 4.620 4.928 -0.308 1
1 160 . 15 1 1 A 22 22 PHE CB C 22 43.392 43.371 0.021 1
1 172 . 15 1 1 A 22 22 PHE C C 22 175.473 176.031 -0.558 1
1 174 . 15 1 1 A 23 23 LYS CA C 23 58.582 58.526 0.056 1
1 175 . 15 1 1 A 23 23 LYS HA H 23 4.413 4.408 0.005 1
1 176 . 15 1 1 A 23 23 LYS CB C 23 34.037 33.158 0.879 1
1 184 . 15 1 1 A 23 23 LYS C C 23 176.876 176.772 0.104 1
1 189 . 15 1 1 A 24 24 THR N N 24 119.640 112.064 7.576 1
1 190 . 15 1 1 A 24 24 THR H H 24 7.250 7.879 -0.629 1
1 191 . 15 1 1 A 24 24 THR CA C 24 58.320 59.144 -0.824 1
1 192 . 15 1 1 A 24 24 THR HA H 24 4.696 4.697 -0.001 1
1 193 . 15 1 1 A 24 24 THR CB C 24 72.705 71.460 1.245 1
1 199 . 15 1 1 A 24 24 THR C C 24 173.538 175.099 -1.561 1
1 200 . 15 1 1 A 25 25 LYS N N 25 123.935 122.715 1.220 1
1 201 . 15 1 1 A 25 25 LYS H H 25 8.309 8.532 -0.223 1
1 202 . 15 1 1 A 25 25 LYS CA C 25 58.948 59.197 -0.249 1
1 203 . 15 1 1 A 25 25 LYS HA H 25 3.190 3.299 -0.109 1
1 204 . 15 1 1 A 25 25 LYS CB C 25 31.814 31.458 0.356 1
1 211 . 15 1 1 A 25 25 LYS C C 25 178.575 177.969 0.606 1
1 216 . 15 1 1 A 26 26 SER N N 26 112.737 115.761 -3.024 1
1 217 . 15 1 1 A 26 26 SER H H 26 8.378 8.192 0.186 1
1 218 . 15 1 1 A 26 26 SER CA C 26 61.462 61.267 0.195 1
1 219 . 15 1 1 A 26 26 SER HA H 26 4.001 4.123 -0.122 1
1 220 . 15 1 1 A 26 26 SER CB C 26 61.997 62.295 -0.298 1
1 222 . 15 1 1 A 26 26 SER C C 26 177.274 176.638 0.636 1
1 224 . 15 1 1 A 27 27 SER N N 27 117.990 115.803 2.187 1
1 225 . 15 1 1 A 27 27 SER H H 27 7.774 8.357 -0.583 1
1 226 . 15 1 1 A 27 27 SER CA C 27 61.787 61.512 0.275 1
1 227 . 15 1 1 A 27 27 SER HA H 27 4.157 4.080 0.077 1
1 228 . 15 1 1 A 27 27 SER CB C 27 62.739 62.492 0.247 1
1 230 . 15 1 1 A 27 27 SER C C 27 176.731 176.416 0.315 1
1 232 . 15 1 1 A 28 28 LEU N N 28 125.136 123.973 1.163 1
1 233 . 15 1 1 A 28 28 LEU H H 28 7.236 7.513 -0.277 1
1 234 . 15 1 1 A 28 28 LEU CA C 28 58.242 57.603 0.639 1
1 235 . 15 1 1 A 28 28 LEU HA H 28 3.274 3.282 -0.008 1
1 236 . 15 1 1 A 28 28 LEU CB C 28 40.574 41.640 -1.066 1
1 248 . 15 1 1 A 28 28 LEU C C 28 177.489 178.332 -0.843 1
1 250 . 15 1 1 A 29 29 ILE N N 29 120.340 119.911 0.429 1
1 251 . 15 1 1 A 29 29 ILE H H 29 8.396 8.216 0.180 1
1 252 . 15 1 1 A 29 29 ILE CA C 29 65.377 65.533 -0.156 1
1 253 . 15 1 1 A 29 29 ILE HA H 29 3.486 3.583 -0.097 1
1 254 . 15 1 1 A 29 29 ILE CB C 29 37.558 37.530 0.028 1
1 266 . 15 1 1 A 29 29 ILE C C 29 178.945 178.012 0.933 1
1 268 . 15 1 1 A 30 30 CYS N N 30 117.810 120.326 -2.516 1
1 269 . 15 1 1 A 30 30 CYS H H 30 7.813 7.636 0.177 1
1 270 . 15 1 1 A 30 30 CYS CA C 30 62.779 63.115 -0.336 1
1 271 . 15 1 1 A 30 30 CYS HA H 30 3.983 3.862 0.121 1
1 272 . 15 1 1 A 30 30 CYS CB C 30 26.511 26.723 -0.212 1
1 274 . 15 1 1 A 30 30 CYS C C 30 177.558 177.423 0.135 1
1 276 . 15 1 1 A 31 31 HIS N N 31 119.264 120.040 -0.776 1
1 277 . 15 1 1 A 31 31 HIS H H 31 7.738 8.078 -0.340 1
1 278 . 15 1 1 A 31 31 HIS CA C 31 59.109 59.292 -0.183 1
1 279 . 15 1 1 A 31 31 HIS HA H 31 4.203 4.125 0.078 1
1 280 . 15 1 1 A 31 31 HIS CB C 31 28.121 29.637 -1.516 1
1 286 . 15 1 1 A 31 31 HIS C C 31 177.945 177.246 0.699 1
1 288 . 15 1 1 A 32 32 ARG N N 32 120.501 119.237 1.264 1
1 289 . 15 1 1 A 32 32 ARG H H 32 8.745 8.285 0.460 1
1 290 . 15 1 1 A 32 32 ARG CA C 32 60.292 59.555 0.737 1
1 291 . 15 1 1 A 32 32 ARG HA H 32 3.640 3.871 -0.231 1
1 292 . 15 1 1 A 32 32 ARG CB C 32 29.469 30.098 -0.629 1
1 298 . 15 1 1 A 32 32 ARG C C 32 178.129 178.693 -0.564 1
1 302 . 15 1 1 A 33 33 ARG N N 33 117.976 118.426 -0.450 1
1 303 . 15 1 1 A 33 33 ARG H H 33 7.283 8.503 -1.220 1
1 304 . 15 1 1 A 33 33 ARG CA C 33 58.703 58.402 0.301 1
1 305 . 15 1 1 A 33 33 ARG HA H 33 4.154 4.088 0.066 1
1 306 . 15 1 1 A 33 33 ARG CB C 33 29.814 30.037 -0.223 1
1 312 . 15 1 1 A 33 33 ARG C C 33 177.957 178.442 -0.485 1
1 316 . 15 1 1 A 34 34 SER N N 34 113.862 115.123 -1.261 1
1 317 . 15 1 1 A 34 34 SER H H 34 7.841 7.359 0.482 1
1 318 . 15 1 1 A 34 34 SER CA C 34 60.492 61.270 -0.778 1
1 319 . 15 1 1 A 34 34 SER HA H 34 4.210 4.160 0.050 1
1 320 . 15 1 1 A 34 34 SER CB C 34 63.284 62.721 0.563 1
1 322 . 15 1 1 A 34 34 SER C C 34 175.028 177.086 -2.058 1
1 324 . 15 1 1 A 35 35 HIS N N 35 119.288 119.693 -0.405 1
1 325 . 15 1 1 A 35 35 HIS H H 35 7.313 7.575 -0.262 1
1 326 . 15 1 1 A 35 35 HIS CA C 35 55.647 59.119 -3.472 1
1 327 . 15 1 1 A 35 35 HIS HA H 35 4.865 4.142 0.723 1
1 328 . 15 1 1 A 35 35 HIS CB C 35 28.882 29.722 -0.840 1
1 334 . 15 1 1 A 35 35 HIS C C 35 175.603 177.957 -2.354 1
1 336 . 15 1 1 A 36 36 THR N N 36 112.427 112.799 -0.372 1
1 337 . 15 1 1 A 36 36 THR H H 36 7.846 7.842 0.004 1
1 338 . 15 1 1 A 36 36 THR CA C 36 62.411 64.640 -2.229 1
1 339 . 15 1 1 A 36 36 THR HA H 36 4.372 4.128 0.244 1
1 340 . 15 1 1 A 36 36 THR CB C 36 69.891 69.573 0.318 1
1 346 . 15 1 1 A 36 36 THR C C 36 175.363 174.770 0.593 1
1 347 . 15 1 1 A 37 37 GLY N N 37 110.984 109.813 1.171 1
1 348 . 15 1 1 A 37 37 GLY H H 37 8.339 8.433 -0.094 1
1 349 . 15 1 1 A 37 37 GLY CA C 37 45.387 47.227 -1.840 1
1 350 . 15 1 1 A 37 37 GLY HA3 H 37 3.971 3.811 0.160 1
1 351 . 15 1 1 A 37 37 GLY C C 37 174.048 174.258 -0.210 1
1 352 . 15 1 1 A 37 37 GLY HA2 H 37 3.971 3.808 0.163 1
1 353 . 15 1 1 A 38 38 GLU N N 38 120.632 124.991 -4.359 1
1 354 . 15 1 1 A 38 38 GLU H H 38 8.114 8.426 -0.312 1
1 355 . 15 1 1 A 38 38 GLU CA C 38 56.455 57.617 -1.162 1
1 356 . 15 1 1 A 38 38 GLU HA H 38 4.249 4.025 0.224 1
1 357 . 15 1 1 A 38 38 GLU CB C 38 30.579 29.446 1.133 1
1 361 . 15 1 1 A 38 38 GLU C C 38 176.214 177.231 -1.017 1
1 364 . 15 1 1 A 39 39 LYS N N 39 123.848 125.538 -1.690 1
1 365 . 15 1 1 A 39 39 LYS H H 39 8.429 8.871 -0.442 1
1 366 . 15 1 1 A 39 39 LYS CA C 39 54.125 57.101 -2.976 1
1 367 . 15 1 1 A 39 39 LYS HA H 39 4.610 3.939 0.671 1
1 368 . 15 1 1 A 39 39 LYS CB C 39 32.513 31.093 1.420 1
1 376 . 15 1 1 A 39 39 LYS C C 39 174.488 175.476 -0.988 1
1 381 . 15 1 1 A 40 40 PRO CA C 40 63.239 62.322 0.917 1
1 382 . 15 1 1 A 40 40 PRO HA H 40 4.464 4.560 -0.096 1
1 383 . 15 1 1 A 40 40 PRO CB C 40 32.143 33.041 -0.898 1
1 392 . 15 1 1 A 43 43 PRO CA C 43 63.278 62.675 0.603 1
1 393 . 15 1 1 A 43 43 PRO HA H 43 4.481 4.684 -0.203 1
1 394 . 15 1 1 A 43 43 PRO CB C 43 32.178 33.206 -1.028 1
1 403 . 15 1 1 A 45 45 SER CA C 45 58.395 56.690 1.705 1
1 404 . 15 1 1 A 45 45 SER HA H 45 4.459 5.067 -0.608 1
1 405 . 15 1 1 A 45 45 SER CB C 45 64.014 66.594 -2.580 1
1 407 . 15 1 1 A 45 45 SER C C 45 173.893 174.475 -0.582 1
1 1 . 16 1 1 A 8 8 THR CA C 8 61.941 59.984 1.957 1
1 2 . 16 1 1 A 8 8 THR HA H 8 4.370 4.795 -0.425 1
1 3 . 16 1 1 A 8 8 THR CB C 8 69.887 70.322 -0.435 1
1 8 . 16 1 1 A 9 9 GLY CA C 9 45.384 44.423 0.961 1
1 9 . 16 1 1 A 9 9 GLY HA3 H 9 3.952 4.192 -0.240 1
1 10 . 16 1 1 A 9 9 GLY C C 9 174.059 172.990 1.069 1
1 11 . 16 1 1 A 9 9 GLY HA2 H 9 3.952 4.186 -0.234 1
1 12 . 16 1 1 A 10 10 GLN N N 10 119.396 119.970 -0.574 1
1 13 . 16 1 1 A 10 10 GLN H H 10 8.197 8.436 -0.239 1
1 14 . 16 1 1 A 10 10 GLN CA C 10 56.099 54.069 2.030 1
1 15 . 16 1 1 A 10 10 GLN HA H 10 4.254 5.059 -0.805 1
1 16 . 16 1 1 A 10 10 GLN CB C 10 29.534 32.337 -2.803 1
1 23 . 16 1 1 A 10 10 GLN C C 10 175.906 174.775 1.131 1
1 26 . 16 1 1 A 11 11 ARG N N 11 122.290 121.898 0.392 1
1 27 . 16 1 1 A 11 11 ARG H H 11 8.323 8.696 -0.373 1
1 28 . 16 1 1 A 11 11 ARG CA C 11 53.699 53.380 0.319 1
1 29 . 16 1 1 A 11 11 ARG HA H 11 4.536 4.942 -0.406 1
1 30 . 16 1 1 A 11 11 ARG CB C 11 30.483 31.005 -0.522 1
1 36 . 16 1 1 A 11 11 ARG C C 11 173.683 174.969 -1.286 1
1 40 . 16 1 1 A 12 12 PRO CA C 12 63.397 64.194 -0.797 1
1 41 . 16 1 1 A 12 12 PRO HA H 12 4.285 4.611 -0.326 1
1 42 . 16 1 1 A 12 12 PRO CB C 12 32.234 31.747 0.487 1
1 48 . 16 1 1 A 12 12 PRO C C 12 176.232 176.185 0.047 1
1 52 . 16 1 1 A 13 13 TYR N N 13 118.384 119.185 -0.801 1
1 53 . 16 1 1 A 13 13 TYR H H 13 8.076 7.969 0.107 1
1 54 . 16 1 1 A 13 13 TYR CA C 13 57.335 56.531 0.804 1
1 55 . 16 1 1 A 13 13 TYR HA H 13 4.617 4.773 -0.156 1
1 56 . 16 1 1 A 13 13 TYR CB C 13 38.356 36.231 2.125 1
1 66 . 16 1 1 A 13 13 TYR C C 13 174.768 175.244 -0.476 1
1 68 . 16 1 1 A 14 14 GLU N N 14 123.471 121.997 1.474 1
1 69 . 16 1 1 A 14 14 GLU H H 14 8.460 8.785 -0.325 1
1 70 . 16 1 1 A 14 14 GLU CA C 14 55.233 56.010 -0.777 1
1 71 . 16 1 1 A 14 14 GLU HA H 14 4.925 5.238 -0.313 1
1 72 . 16 1 1 A 14 14 GLU CB C 14 32.790 31.249 1.541 1
1 76 . 16 1 1 A 14 14 GLU C C 14 175.483 175.598 -0.115 1
1 79 . 16 1 1 A 15 15 CYS N N 15 126.570 121.491 5.079 1
1 80 . 16 1 1 A 15 15 CYS H H 15 9.293 8.623 0.670 1
1 81 . 16 1 1 A 15 15 CYS CA C 15 59.368 57.405 1.963 1
1 82 . 16 1 1 A 15 15 CYS HA H 15 4.608 4.962 -0.354 1
1 83 . 16 1 1 A 15 15 CYS CB C 15 29.874 30.241 -0.367 1
1 85 . 16 1 1 A 15 15 CYS C C 15 177.332 174.636 2.696 1
1 87 . 16 1 1 A 16 16 ILE N N 16 114.361 126.919 -12.558 1
1 88 . 16 1 1 A 16 16 ILE H H 16 8.857 8.535 0.322 1
1 89 . 16 1 1 A 16 16 ILE CA C 16 63.249 62.549 0.700 1
1 90 . 16 1 1 A 16 16 ILE HA H 16 4.126 4.169 -0.043 1
1 91 . 16 1 1 A 16 16 ILE CB C 16 38.266 38.208 0.058 1
1 103 . 16 1 1 A 16 16 ILE C C 16 176.261 177.560 -1.299 1
1 105 . 16 1 1 A 17 17 GLU N N 17 122.365 120.639 1.726 1
1 106 . 16 1 1 A 17 17 GLU H H 17 8.639 7.651 0.988 1
1 107 . 16 1 1 A 17 17 GLU CA C 17 59.363 59.555 -0.192 1
1 108 . 16 1 1 A 17 17 GLU HA H 17 4.154 3.795 0.359 1
1 109 . 16 1 1 A 17 17 GLU CB C 17 29.427 28.605 0.822 1
1 113 . 16 1 1 A 17 17 GLU C C 17 177.603 177.996 -0.393 1
1 116 . 16 1 1 A 18 18 CYS N N 18 114.731 114.309 0.422 1
1 117 . 16 1 1 A 18 18 CYS H H 18 7.995 7.243 0.752 1
1 118 . 16 1 1 A 18 18 CYS CA C 18 58.612 59.486 -0.874 1
1 119 . 16 1 1 A 18 18 CYS HA H 18 5.146 4.660 0.486 1
1 120 . 16 1 1 A 18 18 CYS CB C 18 32.458 30.172 2.286 1
1 122 . 16 1 1 A 18 18 CYS C C 18 176.248 175.541 0.707 1
1 124 . 16 1 1 A 19 19 GLY N N 19 113.796 110.187 3.609 1
1 125 . 16 1 1 A 19 19 GLY H H 19 8.397 8.293 0.104 1
1 126 . 16 1 1 A 19 19 GLY CA C 19 46.250 46.001 0.249 1
1 127 . 16 1 1 A 19 19 GLY HA3 H 19 3.882 4.103 -0.221 1
1 128 . 16 1 1 A 19 19 GLY C C 19 173.933 174.172 -0.239 1
1 129 . 16 1 1 A 19 19 GLY HA2 H 19 4.222 4.085 0.137 1
1 130 . 16 1 1 A 20 20 LYS N N 20 122.119 118.652 3.467 1
1 131 . 16 1 1 A 20 20 LYS H H 20 7.887 7.881 0.006 1
1 132 . 16 1 1 A 20 20 LYS CA C 20 57.780 54.441 3.339 1
1 133 . 16 1 1 A 20 20 LYS HA H 20 4.046 4.790 -0.744 1
1 134 . 16 1 1 A 20 20 LYS CB C 20 34.226 35.715 -1.489 1
1 142 . 16 1 1 A 20 20 LYS C C 20 173.634 174.695 -1.061 1
1 147 . 16 1 1 A 21 21 ALA N N 21 122.988 120.143 2.845 1
1 148 . 16 1 1 A 21 21 ALA H H 21 7.852 8.101 -0.249 1
1 149 . 16 1 1 A 21 21 ALA CA C 21 50.531 50.929 -0.398 1
1 150 . 16 1 1 A 21 21 ALA HA H 21 5.068 5.129 -0.061 1
1 151 . 16 1 1 A 21 21 ALA CB C 21 21.964 22.684 -0.720 1
1 155 . 16 1 1 A 21 21 ALA C C 21 176.493 175.074 1.419 1
1 156 . 16 1 1 A 22 22 PHE N N 22 117.964 117.965 -0.001 1
1 157 . 16 1 1 A 22 22 PHE H H 22 8.646 8.799 -0.153 1
1 158 . 16 1 1 A 22 22 PHE CA C 22 57.636 56.684 0.952 1
1 159 . 16 1 1 A 22 22 PHE HA H 22 4.620 4.947 -0.327 1
1 160 . 16 1 1 A 22 22 PHE CB C 22 43.392 44.019 -0.627 1
1 172 . 16 1 1 A 22 22 PHE C C 22 175.473 175.766 -0.293 1
1 174 . 16 1 1 A 23 23 LYS CA C 23 58.582 57.280 1.302 1
1 175 . 16 1 1 A 23 23 LYS HA H 23 4.413 4.253 0.160 1
1 176 . 16 1 1 A 23 23 LYS CB C 23 34.037 33.783 0.254 1
1 184 . 16 1 1 A 23 23 LYS C C 23 176.876 176.249 0.627 1
1 189 . 16 1 1 A 24 24 THR N N 24 119.640 111.503 8.137 1
1 190 . 16 1 1 A 24 24 THR H H 24 7.250 7.901 -0.651 1
1 191 . 16 1 1 A 24 24 THR CA C 24 58.320 59.535 -1.215 1
1 192 . 16 1 1 A 24 24 THR HA H 24 4.696 4.721 -0.025 1
1 193 . 16 1 1 A 24 24 THR CB C 24 72.705 71.049 1.656 1
1 199 . 16 1 1 A 24 24 THR C C 24 173.538 175.363 -1.825 1
1 200 . 16 1 1 A 25 25 LYS N N 25 123.935 123.817 0.118 1
1 201 . 16 1 1 A 25 25 LYS H H 25 8.309 9.360 -1.051 1
1 202 . 16 1 1 A 25 25 LYS CA C 25 58.948 60.485 -1.537 1
1 203 . 16 1 1 A 25 25 LYS HA H 25 3.190 4.048 -0.858 1
1 204 . 16 1 1 A 25 25 LYS CB C 25 31.814 32.274 -0.460 1
1 211 . 16 1 1 A 25 25 LYS C C 25 178.575 178.332 0.243 1
1 216 . 16 1 1 A 26 26 SER N N 26 112.737 116.171 -3.434 1
1 217 . 16 1 1 A 26 26 SER H H 26 8.378 8.284 0.094 1
1 218 . 16 1 1 A 26 26 SER CA C 26 61.462 61.858 -0.396 1
1 219 . 16 1 1 A 26 26 SER HA H 26 4.001 4.139 -0.138 1
1 220 . 16 1 1 A 26 26 SER CB C 26 61.997 62.933 -0.936 1
1 222 . 16 1 1 A 26 26 SER C C 26 177.274 176.748 0.526 1
1 224 . 16 1 1 A 27 27 SER N N 27 117.990 117.392 0.598 1
1 225 . 16 1 1 A 27 27 SER H H 27 7.774 8.068 -0.294 1
1 226 . 16 1 1 A 27 27 SER CA C 27 61.787 62.257 -0.470 1
1 227 . 16 1 1 A 27 27 SER HA H 27 4.157 4.118 0.039 1
1 228 . 16 1 1 A 27 27 SER CB C 27 62.739 63.044 -0.305 1
1 230 . 16 1 1 A 27 27 SER C C 27 176.731 175.710 1.021 1
1 232 . 16 1 1 A 28 28 LEU N N 28 125.136 121.803 3.333 1
1 233 . 16 1 1 A 28 28 LEU H H 28 7.236 7.618 -0.382 1
1 234 . 16 1 1 A 28 28 LEU CA C 28 58.242 58.111 0.131 1
1 235 . 16 1 1 A 28 28 LEU HA H 28 3.274 3.157 0.117 1
1 236 . 16 1 1 A 28 28 LEU CB C 28 40.574 41.433 -0.859 1
1 248 . 16 1 1 A 28 28 LEU C C 28 177.489 178.593 -1.104 1
1 250 . 16 1 1 A 29 29 ILE N N 29 120.340 119.506 0.834 1
1 251 . 16 1 1 A 29 29 ILE H H 29 8.396 8.419 -0.023 1
1 252 . 16 1 1 A 29 29 ILE CA C 29 65.377 65.424 -0.047 1
1 253 . 16 1 1 A 29 29 ILE HA H 29 3.486 3.498 -0.012 1
1 254 . 16 1 1 A 29 29 ILE CB C 29 37.558 37.597 -0.039 1
1 266 . 16 1 1 A 29 29 ILE C C 29 178.945 177.964 0.981 1
1 268 . 16 1 1 A 30 30 CYS N N 30 117.810 120.088 -2.278 1
1 269 . 16 1 1 A 30 30 CYS H H 30 7.813 7.923 -0.110 1
1 270 . 16 1 1 A 30 30 CYS CA C 30 62.779 62.996 -0.217 1
1 271 . 16 1 1 A 30 30 CYS HA H 30 3.983 3.939 0.044 1
1 272 . 16 1 1 A 30 30 CYS CB C 30 26.511 27.467 -0.956 1
1 274 . 16 1 1 A 30 30 CYS C C 30 177.558 177.221 0.337 1
1 276 . 16 1 1 A 31 31 HIS N N 31 119.264 120.418 -1.154 1
1 277 . 16 1 1 A 31 31 HIS H H 31 7.738 7.505 0.233 1
1 278 . 16 1 1 A 31 31 HIS CA C 31 59.109 58.239 0.870 1
1 279 . 16 1 1 A 31 31 HIS HA H 31 4.203 4.159 0.044 1
1 280 . 16 1 1 A 31 31 HIS CB C 31 28.121 30.346 -2.225 1
1 286 . 16 1 1 A 31 31 HIS C C 31 177.945 177.282 0.663 1
1 288 . 16 1 1 A 32 32 ARG N N 32 120.501 118.786 1.715 1
1 289 . 16 1 1 A 32 32 ARG H H 32 8.745 8.041 0.704 1
1 290 . 16 1 1 A 32 32 ARG CA C 32 60.292 59.411 0.881 1
1 291 . 16 1 1 A 32 32 ARG HA H 32 3.640 4.066 -0.426 1
1 292 . 16 1 1 A 32 32 ARG CB C 32 29.469 30.389 -0.920 1
1 298 . 16 1 1 A 32 32 ARG C C 32 178.129 178.927 -0.798 1
1 302 . 16 1 1 A 33 33 ARG N N 33 117.976 119.009 -1.033 1
1 303 . 16 1 1 A 33 33 ARG H H 33 7.283 8.073 -0.790 1
1 304 . 16 1 1 A 33 33 ARG CA C 33 58.703 58.762 -0.059 1
1 305 . 16 1 1 A 33 33 ARG HA H 33 4.154 4.077 0.077 1
1 306 . 16 1 1 A 33 33 ARG CB C 33 29.814 29.969 -0.155 1
1 312 . 16 1 1 A 33 33 ARG C C 33 177.957 178.649 -0.692 1
1 316 . 16 1 1 A 34 34 SER N N 34 113.862 116.641 -2.779 1
1 317 . 16 1 1 A 34 34 SER H H 34 7.841 7.681 0.160 1
1 318 . 16 1 1 A 34 34 SER CA C 34 60.492 61.995 -1.503 1
1 319 . 16 1 1 A 34 34 SER HA H 34 4.210 4.097 0.113 1
1 320 . 16 1 1 A 34 34 SER CB C 34 63.284 62.456 0.828 1
1 322 . 16 1 1 A 34 34 SER C C 34 175.028 176.726 -1.698 1
1 324 . 16 1 1 A 35 35 HIS N N 35 119.288 119.211 0.077 1
1 325 . 16 1 1 A 35 35 HIS H H 35 7.313 7.884 -0.571 1
1 326 . 16 1 1 A 35 35 HIS CA C 35 55.647 58.981 -3.334 1
1 327 . 16 1 1 A 35 35 HIS HA H 35 4.865 4.263 0.602 1
1 328 . 16 1 1 A 35 35 HIS CB C 35 28.882 29.831 -0.949 1
1 334 . 16 1 1 A 35 35 HIS C C 35 175.603 175.988 -0.385 1
1 336 . 16 1 1 A 36 36 THR N N 36 112.427 109.494 2.933 1
1 337 . 16 1 1 A 36 36 THR H H 36 7.846 7.782 0.064 1
1 338 . 16 1 1 A 36 36 THR CA C 36 62.411 60.928 1.483 1
1 339 . 16 1 1 A 36 36 THR HA H 36 4.372 4.409 -0.037 1
1 340 . 16 1 1 A 36 36 THR CB C 36 69.891 69.104 0.787 1
1 346 . 16 1 1 A 36 36 THR C C 36 175.363 174.641 0.722 1
1 347 . 16 1 1 A 37 37 GLY N N 37 110.984 111.981 -0.997 1
1 348 . 16 1 1 A 37 37 GLY H H 37 8.339 8.405 -0.066 1
1 349 . 16 1 1 A 37 37 GLY CA C 37 45.387 45.993 -0.606 1
1 350 . 16 1 1 A 37 37 GLY HA3 H 37 3.971 4.051 -0.080 1
1 351 . 16 1 1 A 37 37 GLY C C 37 174.048 174.812 -0.764 1
1 352 . 16 1 1 A 37 37 GLY HA2 H 37 3.971 4.050 -0.079 1
1 353 . 16 1 1 A 38 38 GLU N N 38 120.632 120.061 0.571 1
1 354 . 16 1 1 A 38 38 GLU H H 38 8.114 7.805 0.309 1
1 355 . 16 1 1 A 38 38 GLU CA C 38 56.455 56.770 -0.315 1
1 356 . 16 1 1 A 38 38 GLU HA H 38 4.249 4.306 -0.057 1
1 357 . 16 1 1 A 38 38 GLU CB C 38 30.579 29.947 0.632 1
1 361 . 16 1 1 A 38 38 GLU C C 38 176.214 176.642 -0.428 1
1 364 . 16 1 1 A 39 39 LYS N N 39 123.848 124.486 -0.638 1
1 365 . 16 1 1 A 39 39 LYS H H 39 8.429 8.300 0.129 1
1 366 . 16 1 1 A 39 39 LYS CA C 39 54.125 55.155 -1.030 1
1 367 . 16 1 1 A 39 39 LYS HA H 39 4.610 4.416 0.194 1
1 368 . 16 1 1 A 39 39 LYS CB C 39 32.513 32.418 0.095 1
1 376 . 16 1 1 A 39 39 LYS C C 39 174.488 175.558 -1.070 1
1 381 . 16 1 1 A 40 40 PRO CA C 40 63.239 62.726 0.513 1
1 382 . 16 1 1 A 40 40 PRO HA H 40 4.464 4.719 -0.255 1
1 383 . 16 1 1 A 40 40 PRO CB C 40 32.143 30.598 1.545 1
1 392 . 16 1 1 A 43 43 PRO CA C 43 63.278 62.841 0.437 1
1 393 . 16 1 1 A 43 43 PRO HA H 43 4.481 4.557 -0.076 1
1 394 . 16 1 1 A 43 43 PRO CB C 43 32.178 31.992 0.186 1
1 403 . 16 1 1 A 45 45 SER CA C 45 58.395 58.860 -0.465 1
1 404 . 16 1 1 A 45 45 SER HA H 45 4.459 4.483 -0.024 1
1 405 . 16 1 1 A 45 45 SER CB C 45 64.014 64.160 -0.146 1
1 407 . 16 1 1 A 45 45 SER C C 45 173.893 175.825 -1.932 1
1 1 . 17 1 1 A 8 8 THR CA C 8 61.941 60.884 1.057 1
1 2 . 17 1 1 A 8 8 THR HA H 8 4.370 4.734 -0.364 1
1 3 . 17 1 1 A 8 8 THR CB C 8 69.887 68.757 1.130 1
1 8 . 17 1 1 A 9 9 GLY CA C 9 45.384 45.004 0.380 1
1 9 . 17 1 1 A 9 9 GLY HA3 H 9 3.952 3.904 0.048 1
1 10 . 17 1 1 A 9 9 GLY C C 9 174.059 175.214 -1.155 1
1 11 . 17 1 1 A 9 9 GLY HA2 H 9 3.952 3.900 0.052 1
1 12 . 17 1 1 A 10 10 GLN N N 10 119.396 119.786 -0.390 1
1 13 . 17 1 1 A 10 10 GLN H H 10 8.197 8.095 0.102 1
1 14 . 17 1 1 A 10 10 GLN CA C 10 56.099 56.434 -0.335 1
1 15 . 17 1 1 A 10 10 GLN HA H 10 4.254 4.567 -0.313 1
1 16 . 17 1 1 A 10 10 GLN CB C 10 29.534 31.348 -1.814 1
1 23 . 17 1 1 A 10 10 GLN C C 10 175.906 175.509 0.397 1
1 26 . 17 1 1 A 11 11 ARG N N 11 122.290 118.488 3.802 1
1 27 . 17 1 1 A 11 11 ARG H H 11 8.323 7.905 0.418 1
1 28 . 17 1 1 A 11 11 ARG CA C 11 53.699 52.680 1.019 1
1 29 . 17 1 1 A 11 11 ARG HA H 11 4.536 4.684 -0.148 1
1 30 . 17 1 1 A 11 11 ARG CB C 11 30.483 31.582 -1.099 1
1 36 . 17 1 1 A 11 11 ARG C C 11 173.683 175.968 -2.285 1
1 40 . 17 1 1 A 12 12 PRO CA C 12 63.397 63.881 -0.484 1
1 41 . 17 1 1 A 12 12 PRO HA H 12 4.285 4.299 -0.014 1
1 42 . 17 1 1 A 12 12 PRO CB C 12 32.234 31.193 1.041 1
1 48 . 17 1 1 A 12 12 PRO C C 12 176.232 175.665 0.567 1
1 52 . 17 1 1 A 13 13 TYR N N 13 118.384 118.433 -0.049 1
1 53 . 17 1 1 A 13 13 TYR H H 13 8.076 7.462 0.614 1
1 54 . 17 1 1 A 13 13 TYR CA C 13 57.335 56.555 0.780 1
1 55 . 17 1 1 A 13 13 TYR HA H 13 4.617 5.224 -0.607 1
1 56 . 17 1 1 A 13 13 TYR CB C 13 38.356 40.623 -2.267 1
1 66 . 17 1 1 A 13 13 TYR C C 13 174.768 174.596 0.172 1
1 68 . 17 1 1 A 14 14 GLU N N 14 123.471 123.730 -0.259 1
1 69 . 17 1 1 A 14 14 GLU H H 14 8.460 8.862 -0.402 1
1 70 . 17 1 1 A 14 14 GLU CA C 14 55.233 54.794 0.439 1
1 71 . 17 1 1 A 14 14 GLU HA H 14 4.925 5.464 -0.539 1
1 72 . 17 1 1 A 14 14 GLU CB C 14 32.790 33.323 -0.533 1
1 76 . 17 1 1 A 14 14 GLU C C 14 175.483 174.544 0.939 1
1 79 . 17 1 1 A 15 15 CYS N N 15 126.570 120.687 5.883 1
1 80 . 17 1 1 A 15 15 CYS H H 15 9.293 8.896 0.397 1
1 81 . 17 1 1 A 15 15 CYS CA C 15 59.368 57.407 1.961 1
1 82 . 17 1 1 A 15 15 CYS HA H 15 4.608 5.081 -0.473 1
1 83 . 17 1 1 A 15 15 CYS CB C 15 29.874 30.172 -0.298 1
1 85 . 17 1 1 A 15 15 CYS C C 15 177.332 174.727 2.605 1
1 87 . 17 1 1 A 16 16 ILE N N 16 114.361 126.040 -11.679 1
1 88 . 17 1 1 A 16 16 ILE H H 16 8.857 8.740 0.117 1
1 89 . 17 1 1 A 16 16 ILE CA C 16 63.249 62.774 0.475 1
1 90 . 17 1 1 A 16 16 ILE HA H 16 4.126 4.272 -0.146 1
1 91 . 17 1 1 A 16 16 ILE CB C 16 38.266 39.722 -1.456 1
1 103 . 17 1 1 A 16 16 ILE C C 16 176.261 177.799 -1.538 1
1 105 . 17 1 1 A 17 17 GLU N N 17 122.365 120.796 1.569 1
1 106 . 17 1 1 A 17 17 GLU H H 17 8.639 8.102 0.537 1
1 107 . 17 1 1 A 17 17 GLU CA C 17 59.363 59.419 -0.056 1
1 108 . 17 1 1 A 17 17 GLU HA H 17 4.154 3.841 0.313 1
1 109 . 17 1 1 A 17 17 GLU CB C 17 29.427 28.834 0.593 1
1 113 . 17 1 1 A 17 17 GLU C C 17 177.603 177.739 -0.136 1
1 116 . 17 1 1 A 18 18 CYS N N 18 114.731 114.172 0.559 1
1 117 . 17 1 1 A 18 18 CYS H H 18 7.995 7.139 0.856 1
1 118 . 17 1 1 A 18 18 CYS CA C 18 58.612 59.169 -0.557 1
1 119 . 17 1 1 A 18 18 CYS HA H 18 5.146 4.626 0.520 1
1 120 . 17 1 1 A 18 18 CYS CB C 18 32.458 30.297 2.161 1
1 122 . 17 1 1 A 18 18 CYS C C 18 176.248 175.712 0.536 1
1 124 . 17 1 1 A 19 19 GLY N N 19 113.796 109.850 3.946 1
1 125 . 17 1 1 A 19 19 GLY H H 19 8.397 8.318 0.079 1
1 126 . 17 1 1 A 19 19 GLY CA C 19 46.250 45.158 1.092 1
1 127 . 17 1 1 A 19 19 GLY HA3 H 19 3.882 4.096 -0.214 1
1 128 . 17 1 1 A 19 19 GLY C C 19 173.933 173.719 0.214 1
1 129 . 17 1 1 A 19 19 GLY HA2 H 19 4.222 4.073 0.149 1
1 130 . 17 1 1 A 20 20 LYS N N 20 122.119 123.020 -0.901 1
1 131 . 17 1 1 A 20 20 LYS H H 20 7.887 8.333 -0.446 1
1 132 . 17 1 1 A 20 20 LYS CA C 20 57.780 54.571 3.209 1
1 133 . 17 1 1 A 20 20 LYS HA H 20 4.046 4.924 -0.878 1
1 134 . 17 1 1 A 20 20 LYS CB C 20 34.226 36.835 -2.609 1
1 142 . 17 1 1 A 20 20 LYS C C 20 173.634 175.005 -1.371 1
1 147 . 17 1 1 A 21 21 ALA N N 21 122.988 120.866 2.122 1
1 148 . 17 1 1 A 21 21 ALA H H 21 7.852 8.545 -0.693 1
1 149 . 17 1 1 A 21 21 ALA CA C 21 50.531 51.145 -0.614 1
1 150 . 17 1 1 A 21 21 ALA HA H 21 5.068 5.319 -0.251 1
1 151 . 17 1 1 A 21 21 ALA CB C 21 21.964 22.383 -0.419 1
1 155 . 17 1 1 A 21 21 ALA C C 21 176.493 175.611 0.882 1
1 156 . 17 1 1 A 22 22 PHE N N 22 117.964 120.254 -2.290 1
1 157 . 17 1 1 A 22 22 PHE H H 22 8.646 9.642 -0.996 1
1 158 . 17 1 1 A 22 22 PHE CA C 22 57.636 56.865 0.771 1
1 159 . 17 1 1 A 22 22 PHE HA H 22 4.620 4.983 -0.363 1
1 160 . 17 1 1 A 22 22 PHE CB C 22 43.392 42.806 0.586 1
1 172 . 17 1 1 A 22 22 PHE C C 22 175.473 176.639 -1.166 1
1 174 . 17 1 1 A 23 23 LYS CA C 23 58.582 59.058 -0.476 1
1 175 . 17 1 1 A 23 23 LYS HA H 23 4.413 4.283 0.130 1
1 176 . 17 1 1 A 23 23 LYS CB C 23 34.037 32.508 1.529 1
1 184 . 17 1 1 A 23 23 LYS C C 23 176.876 176.608 0.268 1
1 189 . 17 1 1 A 24 24 THR N N 24 119.640 110.378 9.262 1
1 190 . 17 1 1 A 24 24 THR H H 24 7.250 7.801 -0.551 1
1 191 . 17 1 1 A 24 24 THR CA C 24 58.320 59.192 -0.872 1
1 192 . 17 1 1 A 24 24 THR HA H 24 4.696 4.678 0.018 1
1 193 . 17 1 1 A 24 24 THR CB C 24 72.705 71.666 1.039 1
1 199 . 17 1 1 A 24 24 THR C C 24 173.538 174.738 -1.200 1
1 200 . 17 1 1 A 25 25 LYS N N 25 123.935 122.699 1.236 1
1 201 . 17 1 1 A 25 25 LYS H H 25 8.309 8.273 0.036 1
1 202 . 17 1 1 A 25 25 LYS CA C 25 58.948 59.047 -0.099 1
1 203 . 17 1 1 A 25 25 LYS HA H 25 3.190 3.465 -0.275 1
1 204 . 17 1 1 A 25 25 LYS CB C 25 31.814 31.965 -0.151 1
1 211 . 17 1 1 A 25 25 LYS C C 25 178.575 177.717 0.858 1
1 216 . 17 1 1 A 26 26 SER N N 26 112.737 114.311 -1.574 1
1 217 . 17 1 1 A 26 26 SER H H 26 8.378 7.881 0.497 1
1 218 . 17 1 1 A 26 26 SER CA C 26 61.462 61.670 -0.208 1
1 219 . 17 1 1 A 26 26 SER HA H 26 4.001 3.984 0.017 1
1 220 . 17 1 1 A 26 26 SER CB C 26 61.997 62.932 -0.935 1
1 222 . 17 1 1 A 26 26 SER C C 26 177.274 177.309 -0.035 1
1 224 . 17 1 1 A 27 27 SER N N 27 117.990 117.068 0.922 1
1 225 . 17 1 1 A 27 27 SER H H 27 7.774 8.034 -0.260 1
1 226 . 17 1 1 A 27 27 SER CA C 27 61.787 62.269 -0.482 1
1 227 . 17 1 1 A 27 27 SER HA H 27 4.157 4.095 0.062 1
1 228 . 17 1 1 A 27 27 SER CB C 27 62.739 63.017 -0.278 1
1 230 . 17 1 1 A 27 27 SER C C 27 176.731 175.747 0.984 1
1 232 . 17 1 1 A 28 28 LEU N N 28 125.136 121.493 3.643 1
1 233 . 17 1 1 A 28 28 LEU H H 28 7.236 7.609 -0.373 1
1 234 . 17 1 1 A 28 28 LEU CA C 28 58.242 57.169 1.073 1
1 235 . 17 1 1 A 28 28 LEU HA H 28 3.274 3.244 0.030 1
1 236 . 17 1 1 A 28 28 LEU CB C 28 40.574 41.129 -0.555 1
1 248 . 17 1 1 A 28 28 LEU C C 28 177.489 178.369 -0.880 1
1 250 . 17 1 1 A 29 29 ILE N N 29 120.340 118.401 1.939 1
1 251 . 17 1 1 A 29 29 ILE H H 29 8.396 8.138 0.258 1
1 252 . 17 1 1 A 29 29 ILE CA C 29 65.377 65.027 0.350 1
1 253 . 17 1 1 A 29 29 ILE HA H 29 3.486 3.508 -0.022 1
1 254 . 17 1 1 A 29 29 ILE CB C 29 37.558 37.685 -0.127 1
1 266 . 17 1 1 A 29 29 ILE C C 29 178.945 177.703 1.242 1
1 268 . 17 1 1 A 30 30 CYS N N 30 117.810 118.293 -0.483 1
1 269 . 17 1 1 A 30 30 CYS H H 30 7.813 7.708 0.105 1
1 270 . 17 1 1 A 30 30 CYS CA C 30 62.779 62.669 0.110 1
1 271 . 17 1 1 A 30 30 CYS HA H 30 3.983 4.176 -0.193 1
1 272 . 17 1 1 A 30 30 CYS CB C 30 26.511 27.184 -0.673 1
1 274 . 17 1 1 A 30 30 CYS C C 30 177.558 176.737 0.821 1
1 276 . 17 1 1 A 31 31 HIS N N 31 119.264 120.709 -1.445 1
1 277 . 17 1 1 A 31 31 HIS H H 31 7.738 7.661 0.077 1
1 278 . 17 1 1 A 31 31 HIS CA C 31 59.109 58.134 0.975 1
1 279 . 17 1 1 A 31 31 HIS HA H 31 4.203 4.126 0.077 1
1 280 . 17 1 1 A 31 31 HIS CB C 31 28.121 30.288 -2.167 1
1 286 . 17 1 1 A 31 31 HIS C C 31 177.945 177.073 0.872 1
1 288 . 17 1 1 A 32 32 ARG N N 32 120.501 118.602 1.899 1
1 289 . 17 1 1 A 32 32 ARG H H 32 8.745 7.635 1.110 1
1 290 . 17 1 1 A 32 32 ARG CA C 32 60.292 59.032 1.260 1
1 291 . 17 1 1 A 32 32 ARG HA H 32 3.640 4.133 -0.493 1
1 292 . 17 1 1 A 32 32 ARG CB C 32 29.469 30.669 -1.200 1
1 298 . 17 1 1 A 32 32 ARG C C 32 178.129 178.618 -0.489 1
1 302 . 17 1 1 A 33 33 ARG N N 33 117.976 119.098 -1.122 1
1 303 . 17 1 1 A 33 33 ARG H H 33 7.283 7.769 -0.486 1
1 304 . 17 1 1 A 33 33 ARG CA C 33 58.703 58.562 0.141 1
1 305 . 17 1 1 A 33 33 ARG HA H 33 4.154 4.115 0.039 1
1 306 . 17 1 1 A 33 33 ARG CB C 33 29.814 29.880 -0.066 1
1 312 . 17 1 1 A 33 33 ARG C C 33 177.957 177.840 0.117 1
1 316 . 17 1 1 A 34 34 SER N N 34 113.862 116.610 -2.748 1
1 317 . 17 1 1 A 34 34 SER H H 34 7.841 7.686 0.155 1
1 318 . 17 1 1 A 34 34 SER CA C 34 60.492 60.995 -0.503 1
1 319 . 17 1 1 A 34 34 SER HA H 34 4.210 4.209 0.001 1
1 320 . 17 1 1 A 34 34 SER CB C 34 63.284 62.966 0.318 1
1 322 . 17 1 1 A 34 34 SER C C 34 175.028 175.377 -0.349 1
1 324 . 17 1 1 A 35 35 HIS N N 35 119.288 116.889 2.399 1
1 325 . 17 1 1 A 35 35 HIS H H 35 7.313 7.699 -0.386 1
1 326 . 17 1 1 A 35 35 HIS CA C 35 55.647 54.703 0.944 1
1 327 . 17 1 1 A 35 35 HIS HA H 35 4.865 4.623 0.242 1
1 328 . 17 1 1 A 35 35 HIS CB C 35 28.882 27.958 0.924 1
1 334 . 17 1 1 A 35 35 HIS C C 35 175.603 173.585 2.018 1
1 336 . 17 1 1 A 36 36 THR N N 36 112.427 109.843 2.584 1
1 337 . 17 1 1 A 36 36 THR H H 36 7.846 7.654 0.192 1
1 338 . 17 1 1 A 36 36 THR CA C 36 62.411 60.243 2.168 1
1 339 . 17 1 1 A 36 36 THR HA H 36 4.372 4.857 -0.485 1
1 340 . 17 1 1 A 36 36 THR CB C 36 69.891 71.607 -1.716 1
1 346 . 17 1 1 A 36 36 THR C C 36 175.363 172.981 2.382 1
1 347 . 17 1 1 A 37 37 GLY N N 37 110.984 108.329 2.655 1
1 348 . 17 1 1 A 37 37 GLY H H 37 8.339 8.216 0.123 1
1 349 . 17 1 1 A 37 37 GLY CA C 37 45.387 45.051 0.336 1
1 350 . 17 1 1 A 37 37 GLY HA3 H 37 3.971 4.180 -0.209 1
1 351 . 17 1 1 A 37 37 GLY C C 37 174.048 172.652 1.396 1
1 352 . 17 1 1 A 37 37 GLY HA2 H 37 3.971 4.178 -0.207 1
1 353 . 17 1 1 A 38 38 GLU N N 38 120.632 125.142 -4.510 1
1 354 . 17 1 1 A 38 38 GLU H H 38 8.114 8.508 -0.394 1
1 355 . 17 1 1 A 38 38 GLU CA C 38 56.455 55.822 0.633 1
1 356 . 17 1 1 A 38 38 GLU HA H 38 4.249 4.473 -0.224 1
1 357 . 17 1 1 A 38 38 GLU CB C 38 30.579 28.207 2.372 1
1 361 . 17 1 1 A 38 38 GLU C C 38 176.214 175.295 0.919 1
1 364 . 17 1 1 A 39 39 LYS N N 39 123.848 125.675 -1.827 1
1 365 . 17 1 1 A 39 39 LYS H H 39 8.429 7.942 0.487 1
1 366 . 17 1 1 A 39 39 LYS CA C 39 54.125 53.134 0.991 1
1 367 . 17 1 1 A 39 39 LYS HA H 39 4.610 4.803 -0.193 1
1 368 . 17 1 1 A 39 39 LYS CB C 39 32.513 36.032 -3.519 1
1 376 . 17 1 1 A 39 39 LYS C C 39 174.488 174.140 0.348 1
1 381 . 17 1 1 A 40 40 PRO CA C 40 63.239 62.268 0.971 1
1 382 . 17 1 1 A 40 40 PRO HA H 40 4.464 4.779 -0.315 1
1 383 . 17 1 1 A 40 40 PRO CB C 40 32.143 29.931 2.212 1
1 392 . 17 1 1 A 43 43 PRO CA C 43 63.278 62.661 0.617 1
1 393 . 17 1 1 A 43 43 PRO HA H 43 4.481 4.604 -0.123 1
1 394 . 17 1 1 A 43 43 PRO CB C 43 32.178 33.231 -1.053 1
1 403 . 17 1 1 A 45 45 SER CA C 45 58.395 56.301 2.094 1
1 404 . 17 1 1 A 45 45 SER HA H 45 4.459 5.411 -0.952 1
1 405 . 17 1 1 A 45 45 SER CB C 45 64.014 66.061 -2.047 1
1 407 . 17 1 1 A 45 45 SER C C 45 173.893 173.364 0.529 1
1 1 . 18 1 1 A 8 8 THR CA C 8 61.941 61.571 0.370 1
1 2 . 18 1 1 A 8 8 THR HA H 8 4.370 4.476 -0.106 1
1 3 . 18 1 1 A 8 8 THR CB C 8 69.887 68.300 1.587 1
1 8 . 18 1 1 A 9 9 GLY CA C 9 45.384 45.635 -0.251 1
1 9 . 18 1 1 A 9 9 GLY HA3 H 9 3.952 4.024 -0.072 1
1 10 . 18 1 1 A 9 9 GLY C C 9 174.059 172.421 1.638 1
1 11 . 18 1 1 A 9 9 GLY HA2 H 9 3.952 4.023 -0.071 1
1 12 . 18 1 1 A 10 10 GLN N N 10 119.396 116.552 2.844 1
1 13 . 18 1 1 A 10 10 GLN H H 10 8.197 8.722 -0.525 1
1 14 . 18 1 1 A 10 10 GLN CA C 10 56.099 54.161 1.938 1
1 15 . 18 1 1 A 10 10 GLN HA H 10 4.254 5.029 -0.775 1
1 16 . 18 1 1 A 10 10 GLN CB C 10 29.534 31.323 -1.789 1
1 23 . 18 1 1 A 10 10 GLN C C 10 175.906 174.979 0.927 1
1 26 . 18 1 1 A 11 11 ARG N N 11 122.290 121.168 1.122 1
1 27 . 18 1 1 A 11 11 ARG H H 11 8.323 8.538 -0.215 1
1 28 . 18 1 1 A 11 11 ARG CA C 11 53.699 55.481 -1.782 1
1 29 . 18 1 1 A 11 11 ARG HA H 11 4.536 4.243 0.293 1
1 30 . 18 1 1 A 11 11 ARG CB C 11 30.483 30.357 0.126 1
1 36 . 18 1 1 A 11 11 ARG C C 11 173.683 176.591 -2.908 1
1 40 . 18 1 1 A 12 12 PRO CA C 12 63.397 63.888 -0.491 1
1 41 . 18 1 1 A 12 12 PRO HA H 12 4.285 4.247 0.038 1
1 42 . 18 1 1 A 12 12 PRO CB C 12 32.234 31.006 1.228 1
1 48 . 18 1 1 A 12 12 PRO C C 12 176.232 175.567 0.665 1
1 52 . 18 1 1 A 13 13 TYR N N 13 118.384 119.027 -0.643 1
1 53 . 18 1 1 A 13 13 TYR H H 13 8.076 7.331 0.745 1
1 54 . 18 1 1 A 13 13 TYR CA C 13 57.335 56.893 0.442 1
1 55 . 18 1 1 A 13 13 TYR HA H 13 4.617 5.413 -0.796 1
1 56 . 18 1 1 A 13 13 TYR CB C 13 38.356 41.030 -2.674 1
1 66 . 18 1 1 A 13 13 TYR C C 13 174.768 174.788 -0.020 1
1 68 . 18 1 1 A 14 14 GLU N N 14 123.471 122.918 0.553 1
1 69 . 18 1 1 A 14 14 GLU H H 14 8.460 8.862 -0.402 1
1 70 . 18 1 1 A 14 14 GLU CA C 14 55.233 54.711 0.522 1
1 71 . 18 1 1 A 14 14 GLU HA H 14 4.925 5.064 -0.139 1
1 72 . 18 1 1 A 14 14 GLU CB C 14 32.790 33.196 -0.406 1
1 76 . 18 1 1 A 14 14 GLU C C 14 175.483 175.409 0.074 1
1 79 . 18 1 1 A 15 15 CYS N N 15 126.570 124.334 2.236 1
1 80 . 18 1 1 A 15 15 CYS H H 15 9.293 9.354 -0.061 1
1 81 . 18 1 1 A 15 15 CYS CA C 15 59.368 59.986 -0.618 1
1 82 . 18 1 1 A 15 15 CYS HA H 15 4.608 4.672 -0.064 1
1 83 . 18 1 1 A 15 15 CYS CB C 15 29.874 28.261 1.613 1
1 85 . 18 1 1 A 15 15 CYS C C 15 177.332 174.467 2.865 1
1 87 . 18 1 1 A 16 16 ILE N N 16 114.361 128.867 -14.506 1
1 88 . 18 1 1 A 16 16 ILE H H 16 8.857 8.517 0.340 1
1 89 . 18 1 1 A 16 16 ILE CA C 16 63.249 63.161 0.088 1
1 90 . 18 1 1 A 16 16 ILE HA H 16 4.126 4.154 -0.028 1
1 91 . 18 1 1 A 16 16 ILE CB C 16 38.266 37.885 0.381 1
1 103 . 18 1 1 A 16 16 ILE C C 16 176.261 177.715 -1.454 1
1 105 . 18 1 1 A 17 17 GLU N N 17 122.365 120.450 1.915 1
1 106 . 18 1 1 A 17 17 GLU H H 17 8.639 8.114 0.525 1
1 107 . 18 1 1 A 17 17 GLU CA C 17 59.363 59.535 -0.172 1
1 108 . 18 1 1 A 17 17 GLU HA H 17 4.154 3.910 0.244 1
1 109 . 18 1 1 A 17 17 GLU CB C 17 29.427 29.013 0.414 1
1 113 . 18 1 1 A 17 17 GLU C C 17 177.603 178.118 -0.515 1
1 116 . 18 1 1 A 18 18 CYS N N 18 114.731 114.571 0.160 1
1 117 . 18 1 1 A 18 18 CYS H H 18 7.995 7.277 0.718 1
1 118 . 18 1 1 A 18 18 CYS CA C 18 58.612 59.416 -0.804 1
1 119 . 18 1 1 A 18 18 CYS HA H 18 5.146 4.696 0.450 1
1 120 . 18 1 1 A 18 18 CYS CB C 18 32.458 30.104 2.354 1
1 122 . 18 1 1 A 18 18 CYS C C 18 176.248 175.516 0.732 1
1 124 . 18 1 1 A 19 19 GLY N N 19 113.796 109.789 4.007 1
1 125 . 18 1 1 A 19 19 GLY H H 19 8.397 8.040 0.357 1
1 126 . 18 1 1 A 19 19 GLY CA C 19 46.250 45.481 0.769 1
1 127 . 18 1 1 A 19 19 GLY HA3 H 19 3.882 4.067 -0.185 1
1 128 . 18 1 1 A 19 19 GLY C C 19 173.933 174.302 -0.369 1
1 129 . 18 1 1 A 19 19 GLY HA2 H 19 4.222 4.059 0.163 1
1 130 . 18 1 1 A 20 20 LYS N N 20 122.119 120.761 1.358 1
1 131 . 18 1 1 A 20 20 LYS H H 20 7.887 7.831 0.056 1
1 132 . 18 1 1 A 20 20 LYS CA C 20 57.780 54.865 2.915 1
1 133 . 18 1 1 A 20 20 LYS HA H 20 4.046 4.835 -0.789 1
1 134 . 18 1 1 A 20 20 LYS CB C 20 34.226 34.773 -0.547 1
1 142 . 18 1 1 A 20 20 LYS C C 20 173.634 174.698 -1.064 1
1 147 . 18 1 1 A 21 21 ALA N N 21 122.988 123.612 -0.624 1
1 148 . 18 1 1 A 21 21 ALA H H 21 7.852 7.946 -0.094 1
1 149 . 18 1 1 A 21 21 ALA CA C 21 50.531 50.682 -0.151 1
1 150 . 18 1 1 A 21 21 ALA HA H 21 5.068 5.073 -0.005 1
1 151 . 18 1 1 A 21 21 ALA CB C 21 21.964 24.051 -2.087 1
1 155 . 18 1 1 A 21 21 ALA C C 21 176.493 174.740 1.753 1
1 156 . 18 1 1 A 22 22 PHE N N 22 117.964 116.320 1.644 1
1 157 . 18 1 1 A 22 22 PHE H H 22 8.646 8.722 -0.076 1
1 158 . 18 1 1 A 22 22 PHE CA C 22 57.636 56.316 1.320 1
1 159 . 18 1 1 A 22 22 PHE HA H 22 4.620 4.947 -0.327 1
1 160 . 18 1 1 A 22 22 PHE CB C 22 43.392 42.822 0.570 1
1 172 . 18 1 1 A 22 22 PHE C C 22 175.473 175.806 -0.333 1
1 174 . 18 1 1 A 23 23 LYS CA C 23 58.582 58.939 -0.357 1
1 175 . 18 1 1 A 23 23 LYS HA H 23 4.413 4.219 0.194 1
1 176 . 18 1 1 A 23 23 LYS CB C 23 34.037 33.016 1.021 1
1 184 . 18 1 1 A 23 23 LYS C C 23 176.876 177.024 -0.148 1
1 189 . 18 1 1 A 24 24 THR N N 24 119.640 111.376 8.264 1
1 190 . 18 1 1 A 24 24 THR H H 24 7.250 7.885 -0.635 1
1 191 . 18 1 1 A 24 24 THR CA C 24 58.320 59.579 -1.259 1
1 192 . 18 1 1 A 24 24 THR HA H 24 4.696 4.795 -0.099 1
1 193 . 18 1 1 A 24 24 THR CB C 24 72.705 71.025 1.680 1
1 199 . 18 1 1 A 24 24 THR C C 24 173.538 174.924 -1.386 1
1 200 . 18 1 1 A 25 25 LYS N N 25 123.935 123.096 0.839 1
1 201 . 18 1 1 A 25 25 LYS H H 25 8.309 8.578 -0.269 1
1 202 . 18 1 1 A 25 25 LYS CA C 25 58.948 59.565 -0.617 1
1 203 . 18 1 1 A 25 25 LYS HA H 25 3.190 2.970 0.220 1
1 204 . 18 1 1 A 25 25 LYS CB C 25 31.814 31.669 0.145 1
1 211 . 18 1 1 A 25 25 LYS C C 25 178.575 177.904 0.671 1
1 216 . 18 1 1 A 26 26 SER N N 26 112.737 116.151 -3.414 1
1 217 . 18 1 1 A 26 26 SER H H 26 8.378 8.071 0.307 1
1 218 . 18 1 1 A 26 26 SER CA C 26 61.462 61.846 -0.384 1
1 219 . 18 1 1 A 26 26 SER HA H 26 4.001 4.014 -0.013 1
1 220 . 18 1 1 A 26 26 SER CB C 26 61.997 62.467 -0.470 1
1 222 . 18 1 1 A 26 26 SER C C 26 177.274 176.306 0.968 1
1 224 . 18 1 1 A 27 27 SER N N 27 117.990 116.013 1.977 1
1 225 . 18 1 1 A 27 27 SER H H 27 7.774 7.964 -0.190 1
1 226 . 18 1 1 A 27 27 SER CA C 27 61.787 61.587 0.200 1
1 227 . 18 1 1 A 27 27 SER HA H 27 4.157 4.031 0.126 1
1 228 . 18 1 1 A 27 27 SER CB C 27 62.739 63.198 -0.459 1
1 230 . 18 1 1 A 27 27 SER C C 27 176.731 177.052 -0.321 1
1 232 . 18 1 1 A 28 28 LEU N N 28 125.136 121.396 3.740 1
1 233 . 18 1 1 A 28 28 LEU H H 28 7.236 7.651 -0.415 1
1 234 . 18 1 1 A 28 28 LEU CA C 28 58.242 57.375 0.867 1
1 235 . 18 1 1 A 28 28 LEU HA H 28 3.274 2.744 0.530 1
1 236 . 18 1 1 A 28 28 LEU CB C 28 40.574 41.696 -1.122 1
1 248 . 18 1 1 A 28 28 LEU C C 28 177.489 178.364 -0.875 1
1 250 . 18 1 1 A 29 29 ILE N N 29 120.340 119.154 1.186 1
1 251 . 18 1 1 A 29 29 ILE H H 29 8.396 7.931 0.465 1
1 252 . 18 1 1 A 29 29 ILE CA C 29 65.377 64.879 0.498 1
1 253 . 18 1 1 A 29 29 ILE HA H 29 3.486 3.495 -0.009 1
1 254 . 18 1 1 A 29 29 ILE CB C 29 37.558 37.457 0.101 1
1 266 . 18 1 1 A 29 29 ILE C C 29 178.945 178.048 0.897 1
1 268 . 18 1 1 A 30 30 CYS N N 30 117.810 118.413 -0.603 1
1 269 . 18 1 1 A 30 30 CYS H H 30 7.813 7.733 0.080 1
1 270 . 18 1 1 A 30 30 CYS CA C 30 62.779 62.060 0.719 1
1 271 . 18 1 1 A 30 30 CYS HA H 30 3.983 4.230 -0.247 1
1 272 . 18 1 1 A 30 30 CYS CB C 30 26.511 27.114 -0.603 1
1 274 . 18 1 1 A 30 30 CYS C C 30 177.558 176.586 0.972 1
1 276 . 18 1 1 A 31 31 HIS N N 31 119.264 120.900 -1.636 1
1 277 . 18 1 1 A 31 31 HIS H H 31 7.738 7.468 0.270 1
1 278 . 18 1 1 A 31 31 HIS CA C 31 59.109 58.554 0.555 1
1 279 . 18 1 1 A 31 31 HIS HA H 31 4.203 4.185 0.018 1
1 280 . 18 1 1 A 31 31 HIS CB C 31 28.121 30.137 -2.016 1
1 286 . 18 1 1 A 31 31 HIS C C 31 177.945 177.091 0.854 1
1 288 . 18 1 1 A 32 32 ARG N N 32 120.501 119.060 1.441 1
1 289 . 18 1 1 A 32 32 ARG H H 32 8.745 8.473 0.272 1
1 290 . 18 1 1 A 32 32 ARG CA C 32 60.292 59.734 0.558 1
1 291 . 18 1 1 A 32 32 ARG HA H 32 3.640 3.948 -0.308 1
1 292 . 18 1 1 A 32 32 ARG CB C 32 29.469 29.935 -0.466 1
1 298 . 18 1 1 A 32 32 ARG C C 32 178.129 178.460 -0.331 1
1 302 . 18 1 1 A 33 33 ARG N N 33 117.976 118.513 -0.537 1
1 303 . 18 1 1 A 33 33 ARG H H 33 7.283 7.833 -0.550 1
1 304 . 18 1 1 A 33 33 ARG CA C 33 58.703 58.769 -0.066 1
1 305 . 18 1 1 A 33 33 ARG HA H 33 4.154 4.077 0.077 1
1 306 . 18 1 1 A 33 33 ARG CB C 33 29.814 29.836 -0.022 1
1 312 . 18 1 1 A 33 33 ARG C C 33 177.957 178.385 -0.428 1
1 316 . 18 1 1 A 34 34 SER N N 34 113.862 115.214 -1.352 1
1 317 . 18 1 1 A 34 34 SER H H 34 7.841 8.070 -0.229 1
1 318 . 18 1 1 A 34 34 SER CA C 34 60.492 60.571 -0.079 1
1 319 . 18 1 1 A 34 34 SER HA H 34 4.210 4.164 0.046 1
1 320 . 18 1 1 A 34 34 SER CB C 34 63.284 62.649 0.635 1
1 322 . 18 1 1 A 34 34 SER C C 34 175.028 175.480 -0.452 1
1 324 . 18 1 1 A 35 35 HIS N N 35 119.288 117.656 1.632 1
1 325 . 18 1 1 A 35 35 HIS H H 35 7.313 8.088 -0.775 1
1 326 . 18 1 1 A 35 35 HIS CA C 35 55.647 54.336 1.311 1
1 327 . 18 1 1 A 35 35 HIS HA H 35 4.865 4.747 0.118 1
1 328 . 18 1 1 A 35 35 HIS CB C 35 28.882 28.082 0.800 1
1 334 . 18 1 1 A 35 35 HIS C C 35 175.603 176.032 -0.429 1
1 336 . 18 1 1 A 36 36 THR N N 36 112.427 112.727 -0.300 1
1 337 . 18 1 1 A 36 36 THR H H 36 7.846 7.722 0.124 1
1 338 . 18 1 1 A 36 36 THR CA C 36 62.411 63.752 -1.341 1
1 339 . 18 1 1 A 36 36 THR HA H 36 4.372 4.043 0.329 1
1 340 . 18 1 1 A 36 36 THR CB C 36 69.891 69.025 0.866 1
1 346 . 18 1 1 A 36 36 THR C C 36 175.363 175.462 -0.099 1
1 347 . 18 1 1 A 37 37 GLY N N 37 110.984 110.746 0.238 1
1 348 . 18 1 1 A 37 37 GLY H H 37 8.339 7.950 0.389 1
1 349 . 18 1 1 A 37 37 GLY CA C 37 45.387 45.288 0.099 1
1 350 . 18 1 1 A 37 37 GLY HA3 H 37 3.971 4.070 -0.099 1
1 351 . 18 1 1 A 37 37 GLY C C 37 174.048 174.237 -0.189 1
1 352 . 18 1 1 A 37 37 GLY HA2 H 37 3.971 4.067 -0.096 1
1 353 . 18 1 1 A 38 38 GLU N N 38 120.632 120.858 -0.226 1
1 354 . 18 1 1 A 38 38 GLU H H 38 8.114 7.883 0.231 1
1 355 . 18 1 1 A 38 38 GLU CA C 38 56.455 55.249 1.206 1
1 356 . 18 1 1 A 38 38 GLU HA H 38 4.249 4.482 -0.233 1
1 357 . 18 1 1 A 38 38 GLU CB C 38 30.579 29.886 0.693 1
1 361 . 18 1 1 A 38 38 GLU C C 38 176.214 175.321 0.893 1
1 364 . 18 1 1 A 39 39 LYS N N 39 123.848 124.428 -0.580 1
1 365 . 18 1 1 A 39 39 LYS H H 39 8.429 7.552 0.877 1
1 366 . 18 1 1 A 39 39 LYS CA C 39 54.125 54.378 -0.253 1
1 367 . 18 1 1 A 39 39 LYS HA H 39 4.610 4.449 0.161 1
1 368 . 18 1 1 A 39 39 LYS CB C 39 32.513 33.725 -1.212 1
1 376 . 18 1 1 A 39 39 LYS C C 39 174.488 176.505 -2.017 1
1 381 . 18 1 1 A 40 40 PRO CA C 40 63.239 63.767 -0.528 1
1 382 . 18 1 1 A 40 40 PRO HA H 40 4.464 4.564 -0.100 1
1 383 . 18 1 1 A 40 40 PRO CB C 40 32.143 32.295 -0.152 1
1 392 . 18 1 1 A 43 43 PRO CA C 43 63.278 62.442 0.836 1
1 393 . 18 1 1 A 43 43 PRO HA H 43 4.481 4.700 -0.219 1
1 394 . 18 1 1 A 43 43 PRO CB C 43 32.178 29.928 2.250 1
1 403 . 18 1 1 A 45 45 SER CA C 45 58.395 57.993 0.402 1
1 404 . 18 1 1 A 45 45 SER HA H 45 4.459 4.848 -0.389 1
1 405 . 18 1 1 A 45 45 SER CB C 45 64.014 64.788 -0.774 1
1 407 . 18 1 1 A 45 45 SER C C 45 173.893 174.264 -0.371 1
1 1 . 19 1 1 A 8 8 THR CA C 8 61.941 61.090 0.851 1
1 2 . 19 1 1 A 8 8 THR HA H 8 4.370 4.806 -0.436 1
1 3 . 19 1 1 A 8 8 THR CB C 8 69.887 71.690 -1.803 1
1 8 . 19 1 1 A 9 9 GLY CA C 9 45.384 44.856 0.528 1
1 9 . 19 1 1 A 9 9 GLY HA3 H 9 3.952 4.067 -0.115 1
1 10 . 19 1 1 A 9 9 GLY C C 9 174.059 172.514 1.545 1
1 11 . 19 1 1 A 9 9 GLY HA2 H 9 3.952 4.066 -0.114 1
1 12 . 19 1 1 A 10 10 GLN N N 10 119.396 120.488 -1.092 1
1 13 . 19 1 1 A 10 10 GLN H H 10 8.197 8.476 -0.279 1
1 14 . 19 1 1 A 10 10 GLN CA C 10 56.099 54.362 1.737 1
1 15 . 19 1 1 A 10 10 GLN HA H 10 4.254 4.914 -0.660 1
1 16 . 19 1 1 A 10 10 GLN CB C 10 29.534 31.302 -1.768 1
1 23 . 19 1 1 A 10 10 GLN C C 10 175.906 174.565 1.341 1
1 26 . 19 1 1 A 11 11 ARG N N 11 122.290 127.258 -4.968 1
1 27 . 19 1 1 A 11 11 ARG H H 11 8.323 8.806 -0.483 1
1 28 . 19 1 1 A 11 11 ARG CA C 11 53.699 53.413 0.286 1
1 29 . 19 1 1 A 11 11 ARG HA H 11 4.536 4.619 -0.083 1
1 30 . 19 1 1 A 11 11 ARG CB C 11 30.483 30.155 0.328 1
1 36 . 19 1 1 A 11 11 ARG C C 11 173.683 176.030 -2.347 1
1 40 . 19 1 1 A 12 12 PRO CA C 12 63.397 64.445 -1.048 1
1 41 . 19 1 1 A 12 12 PRO HA H 12 4.285 4.326 -0.041 1
1 42 . 19 1 1 A 12 12 PRO CB C 12 32.234 31.695 0.539 1
1 48 . 19 1 1 A 12 12 PRO C C 12 176.232 175.823 0.409 1
1 52 . 19 1 1 A 13 13 TYR N N 13 118.384 118.152 0.232 1
1 53 . 19 1 1 A 13 13 TYR H H 13 8.076 7.701 0.375 1
1 54 . 19 1 1 A 13 13 TYR CA C 13 57.335 56.893 0.442 1
1 55 . 19 1 1 A 13 13 TYR HA H 13 4.617 4.928 -0.311 1
1 56 . 19 1 1 A 13 13 TYR CB C 13 38.356 39.007 -0.651 1
1 66 . 19 1 1 A 13 13 TYR C C 13 174.768 175.362 -0.594 1
1 68 . 19 1 1 A 14 14 GLU N N 14 123.471 123.765 -0.294 1
1 69 . 19 1 1 A 14 14 GLU H H 14 8.460 9.118 -0.658 1
1 70 . 19 1 1 A 14 14 GLU CA C 14 55.233 54.640 0.593 1
1 71 . 19 1 1 A 14 14 GLU HA H 14 4.925 5.394 -0.469 1
1 72 . 19 1 1 A 14 14 GLU CB C 14 32.790 33.441 -0.651 1
1 76 . 19 1 1 A 14 14 GLU C C 14 175.483 174.931 0.552 1
1 79 . 19 1 1 A 15 15 CYS N N 15 126.570 122.578 3.992 1
1 80 . 19 1 1 A 15 15 CYS H H 15 9.293 9.369 -0.076 1
1 81 . 19 1 1 A 15 15 CYS CA C 15 59.368 57.504 1.864 1
1 82 . 19 1 1 A 15 15 CYS HA H 15 4.608 4.887 -0.279 1
1 83 . 19 1 1 A 15 15 CYS CB C 15 29.874 29.424 0.450 1
1 85 . 19 1 1 A 15 15 CYS C C 15 177.332 175.702 1.630 1
1 87 . 19 1 1 A 16 16 ILE N N 16 114.361 127.274 -12.913 1
1 88 . 19 1 1 A 16 16 ILE H H 16 8.857 8.657 0.200 1
1 89 . 19 1 1 A 16 16 ILE CA C 16 63.249 64.682 -1.433 1
1 90 . 19 1 1 A 16 16 ILE HA H 16 4.126 3.820 0.306 1
1 91 . 19 1 1 A 16 16 ILE CB C 16 38.266 37.471 0.795 1
1 103 . 19 1 1 A 16 16 ILE C C 16 176.261 177.386 -1.125 1
1 105 . 19 1 1 A 17 17 GLU N N 17 122.365 120.167 2.198 1
1 106 . 19 1 1 A 17 17 GLU H H 17 8.639 8.152 0.487 1
1 107 . 19 1 1 A 17 17 GLU CA C 17 59.363 59.633 -0.270 1
1 108 . 19 1 1 A 17 17 GLU HA H 17 4.154 3.890 0.264 1
1 109 . 19 1 1 A 17 17 GLU CB C 17 29.427 29.093 0.334 1
1 113 . 19 1 1 A 17 17 GLU C C 17 177.603 177.989 -0.386 1
1 116 . 19 1 1 A 18 18 CYS N N 18 114.731 114.523 0.208 1
1 117 . 19 1 1 A 18 18 CYS H H 18 7.995 7.322 0.673 1
1 118 . 19 1 1 A 18 18 CYS CA C 18 58.612 59.376 -0.764 1
1 119 . 19 1 1 A 18 18 CYS HA H 18 5.146 4.686 0.460 1
1 120 . 19 1 1 A 18 18 CYS CB C 18 32.458 30.164 2.294 1
1 122 . 19 1 1 A 18 18 CYS C C 18 176.248 175.754 0.494 1
1 124 . 19 1 1 A 19 19 GLY N N 19 113.796 110.357 3.439 1
1 125 . 19 1 1 A 19 19 GLY H H 19 8.397 8.561 -0.164 1
1 126 . 19 1 1 A 19 19 GLY CA C 19 46.250 45.663 0.587 1
1 127 . 19 1 1 A 19 19 GLY HA3 H 19 3.882 4.087 -0.205 1
1 128 . 19 1 1 A 19 19 GLY C C 19 173.933 174.153 -0.220 1
1 129 . 19 1 1 A 19 19 GLY HA2 H 19 4.222 4.074 0.148 1
1 130 . 19 1 1 A 20 20 LYS N N 20 122.119 120.350 1.769 1
1 131 . 19 1 1 A 20 20 LYS H H 20 7.887 7.401 0.486 1
1 132 . 19 1 1 A 20 20 LYS CA C 20 57.780 54.628 3.152 1
1 133 . 19 1 1 A 20 20 LYS HA H 20 4.046 4.654 -0.608 1
1 134 . 19 1 1 A 20 20 LYS CB C 20 34.226 35.174 -0.948 1
1 142 . 19 1 1 A 20 20 LYS C C 20 173.634 174.596 -0.962 1
1 147 . 19 1 1 A 21 21 ALA N N 21 122.988 127.105 -4.117 1
1 148 . 19 1 1 A 21 21 ALA H H 21 7.852 8.640 -0.788 1
1 149 . 19 1 1 A 21 21 ALA CA C 21 50.531 49.775 0.756 1
1 150 . 19 1 1 A 21 21 ALA HA H 21 5.068 5.687 -0.619 1
1 151 . 19 1 1 A 21 21 ALA CB C 21 21.964 22.318 -0.354 1
1 155 . 19 1 1 A 21 21 ALA C C 21 176.493 176.022 0.471 1
1 156 . 19 1 1 A 22 22 PHE N N 22 117.964 119.025 -1.061 1
1 157 . 19 1 1 A 22 22 PHE H H 22 8.646 8.946 -0.300 1
1 158 . 19 1 1 A 22 22 PHE CA C 22 57.636 56.297 1.339 1
1 159 . 19 1 1 A 22 22 PHE HA H 22 4.620 4.955 -0.335 1
1 160 . 19 1 1 A 22 22 PHE CB C 22 43.392 42.599 0.793 1
1 172 . 19 1 1 A 22 22 PHE C C 22 175.473 175.808 -0.335 1
1 174 . 19 1 1 A 23 23 LYS CA C 23 58.582 58.552 0.030 1
1 175 . 19 1 1 A 23 23 LYS HA H 23 4.413 4.324 0.089 1
1 176 . 19 1 1 A 23 23 LYS CB C 23 34.037 33.287 0.750 1
1 184 . 19 1 1 A 23 23 LYS C C 23 176.876 176.324 0.552 1
1 189 . 19 1 1 A 24 24 THR N N 24 119.640 108.928 10.712 1
1 190 . 19 1 1 A 24 24 THR H H 24 7.250 7.865 -0.615 1
1 191 . 19 1 1 A 24 24 THR CA C 24 58.320 60.069 -1.749 1
1 192 . 19 1 1 A 24 24 THR HA H 24 4.696 4.592 0.104 1
1 193 . 19 1 1 A 24 24 THR CB C 24 72.705 70.605 2.100 1
1 199 . 19 1 1 A 24 24 THR C C 24 173.538 174.646 -1.108 1
1 200 . 19 1 1 A 25 25 LYS N N 25 123.935 123.624 0.311 1
1 201 . 19 1 1 A 25 25 LYS H H 25 8.309 8.297 0.012 1
1 202 . 19 1 1 A 25 25 LYS CA C 25 58.948 59.742 -0.794 1
1 203 . 19 1 1 A 25 25 LYS HA H 25 3.190 2.929 0.261 1
1 204 . 19 1 1 A 25 25 LYS CB C 25 31.814 31.425 0.389 1
1 211 . 19 1 1 A 25 25 LYS C C 25 178.575 177.896 0.679 1
1 216 . 19 1 1 A 26 26 SER N N 26 112.737 117.013 -4.276 1
1 217 . 19 1 1 A 26 26 SER H H 26 8.378 7.841 0.537 1
1 218 . 19 1 1 A 26 26 SER CA C 26 61.462 61.676 -0.214 1
1 219 . 19 1 1 A 26 26 SER HA H 26 4.001 3.989 0.012 1
1 220 . 19 1 1 A 26 26 SER CB C 26 61.997 62.556 -0.559 1
1 222 . 19 1 1 A 26 26 SER C C 26 177.274 176.479 0.795 1
1 224 . 19 1 1 A 27 27 SER N N 27 117.990 117.635 0.355 1
1 225 . 19 1 1 A 27 27 SER H H 27 7.774 7.848 -0.074 1
1 226 . 19 1 1 A 27 27 SER CA C 27 61.787 62.264 -0.477 1
1 227 . 19 1 1 A 27 27 SER HA H 27 4.157 4.034 0.123 1
1 228 . 19 1 1 A 27 27 SER CB C 27 62.739 63.096 -0.357 1
1 230 . 19 1 1 A 27 27 SER C C 27 176.731 175.499 1.232 1
1 232 . 19 1 1 A 28 28 LEU N N 28 125.136 121.694 3.442 1
1 233 . 19 1 1 A 28 28 LEU H H 28 7.236 7.158 0.078 1
1 234 . 19 1 1 A 28 28 LEU CA C 28 58.242 57.494 0.748 1
1 235 . 19 1 1 A 28 28 LEU HA H 28 3.274 3.225 0.049 1
1 236 . 19 1 1 A 28 28 LEU CB C 28 40.574 41.304 -0.730 1
1 248 . 19 1 1 A 28 28 LEU C C 28 177.489 178.712 -1.223 1
1 250 . 19 1 1 A 29 29 ILE N N 29 120.340 119.311 1.029 1
1 251 . 19 1 1 A 29 29 ILE H H 29 8.396 8.342 0.054 1
1 252 . 19 1 1 A 29 29 ILE CA C 29 65.377 64.886 0.491 1
1 253 . 19 1 1 A 29 29 ILE HA H 29 3.486 3.571 -0.085 1
1 254 . 19 1 1 A 29 29 ILE CB C 29 37.558 37.700 -0.142 1
1 266 . 19 1 1 A 29 29 ILE C C 29 178.945 178.449 0.496 1
1 268 . 19 1 1 A 30 30 CYS N N 30 117.810 119.116 -1.306 1
1 269 . 19 1 1 A 30 30 CYS H H 30 7.813 7.899 -0.086 1
1 270 . 19 1 1 A 30 30 CYS CA C 30 62.779 63.233 -0.454 1
1 271 . 19 1 1 A 30 30 CYS HA H 30 3.983 4.085 -0.102 1
1 272 . 19 1 1 A 30 30 CYS CB C 30 26.511 28.098 -1.587 1
1 274 . 19 1 1 A 30 30 CYS C C 30 177.558 177.121 0.437 1
1 276 . 19 1 1 A 31 31 HIS N N 31 119.264 120.754 -1.490 1
1 277 . 19 1 1 A 31 31 HIS H H 31 7.738 8.381 -0.643 1
1 278 . 19 1 1 A 31 31 HIS CA C 31 59.109 59.517 -0.408 1
1 279 . 19 1 1 A 31 31 HIS HA H 31 4.203 4.064 0.139 1
1 280 . 19 1 1 A 31 31 HIS CB C 31 28.121 29.607 -1.486 1
1 286 . 19 1 1 A 31 31 HIS C C 31 177.945 176.607 1.338 1
1 288 . 19 1 1 A 32 32 ARG N N 32 120.501 117.371 3.130 1
1 289 . 19 1 1 A 32 32 ARG H H 32 8.745 8.469 0.276 1
1 290 . 19 1 1 A 32 32 ARG CA C 32 60.292 59.983 0.309 1
1 291 . 19 1 1 A 32 32 ARG HA H 32 3.640 3.794 -0.154 1
1 292 . 19 1 1 A 32 32 ARG CB C 32 29.469 29.982 -0.513 1
1 298 . 19 1 1 A 32 32 ARG C C 32 178.129 179.194 -1.065 1
1 302 . 19 1 1 A 33 33 ARG N N 33 117.976 119.483 -1.507 1
1 303 . 19 1 1 A 33 33 ARG H H 33 7.283 8.294 -1.011 1
1 304 . 19 1 1 A 33 33 ARG CA C 33 58.703 59.571 -0.868 1
1 305 . 19 1 1 A 33 33 ARG HA H 33 4.154 3.935 0.219 1
1 306 . 19 1 1 A 33 33 ARG CB C 33 29.814 29.750 0.064 1
1 312 . 19 1 1 A 33 33 ARG C C 33 177.957 179.041 -1.084 1
1 316 . 19 1 1 A 34 34 SER N N 34 113.862 115.070 -1.208 1
1 317 . 19 1 1 A 34 34 SER H H 34 7.841 8.327 -0.486 1
1 318 . 19 1 1 A 34 34 SER CA C 34 60.492 60.805 -0.313 1
1 319 . 19 1 1 A 34 34 SER HA H 34 4.210 4.051 0.159 1
1 320 . 19 1 1 A 34 34 SER CB C 34 63.284 62.882 0.402 1
1 322 . 19 1 1 A 34 34 SER C C 34 175.028 175.621 -0.593 1
1 324 . 19 1 1 A 35 35 HIS N N 35 119.288 117.098 2.190 1
1 325 . 19 1 1 A 35 35 HIS H H 35 7.313 7.927 -0.614 1
1 326 . 19 1 1 A 35 35 HIS CA C 35 55.647 54.364 1.283 1
1 327 . 19 1 1 A 35 35 HIS HA H 35 4.865 4.771 0.094 1
1 328 . 19 1 1 A 35 35 HIS CB C 35 28.882 28.164 0.718 1
1 334 . 19 1 1 A 35 35 HIS C C 35 175.603 176.059 -0.456 1
1 336 . 19 1 1 A 36 36 THR N N 36 112.427 112.746 -0.319 1
1 337 . 19 1 1 A 36 36 THR H H 36 7.846 8.004 -0.158 1
1 338 . 19 1 1 A 36 36 THR CA C 36 62.411 64.844 -2.433 1
1 339 . 19 1 1 A 36 36 THR HA H 36 4.372 4.067 0.305 1
1 340 . 19 1 1 A 36 36 THR CB C 36 69.891 67.977 1.914 1
1 346 . 19 1 1 A 36 36 THR C C 36 175.363 175.776 -0.413 1
1 347 . 19 1 1 A 37 37 GLY N N 37 110.984 108.025 2.959 1
1 348 . 19 1 1 A 37 37 GLY H H 37 8.339 7.527 0.812 1
1 349 . 19 1 1 A 37 37 GLY CA C 37 45.387 45.687 -0.300 1
1 350 . 19 1 1 A 37 37 GLY HA3 H 37 3.971 4.137 -0.166 1
1 351 . 19 1 1 A 37 37 GLY C C 37 174.048 174.019 0.029 1
1 352 . 19 1 1 A 37 37 GLY HA2 H 37 3.971 4.130 -0.159 1
1 353 . 19 1 1 A 38 38 GLU N N 38 120.632 120.477 0.155 1
1 354 . 19 1 1 A 38 38 GLU H H 38 8.114 7.836 0.278 1
1 355 . 19 1 1 A 38 38 GLU CA C 38 56.455 57.511 -1.056 1
1 356 . 19 1 1 A 38 38 GLU HA H 38 4.249 4.293 -0.044 1
1 357 . 19 1 1 A 38 38 GLU CB C 38 30.579 30.962 -0.383 1
1 361 . 19 1 1 A 38 38 GLU C C 38 176.214 175.485 0.729 1
1 364 . 19 1 1 A 39 39 LYS N N 39 123.848 122.040 1.808 1
1 365 . 19 1 1 A 39 39 LYS H H 39 8.429 8.470 -0.041 1
1 366 . 19 1 1 A 39 39 LYS CA C 39 54.125 53.406 0.719 1
1 367 . 19 1 1 A 39 39 LYS HA H 39 4.610 4.991 -0.381 1
1 368 . 19 1 1 A 39 39 LYS CB C 39 32.513 33.123 -0.610 1
1 376 . 19 1 1 A 39 39 LYS C C 39 174.488 173.744 0.744 1
1 381 . 19 1 1 A 40 40 PRO CA C 40 63.239 62.692 0.547 1
1 382 . 19 1 1 A 40 40 PRO HA H 40 4.464 4.569 -0.105 1
1 383 . 19 1 1 A 40 40 PRO CB C 40 32.143 32.206 -0.063 1
1 392 . 19 1 1 A 43 43 PRO CA C 43 63.278 64.931 -1.653 1
1 393 . 19 1 1 A 43 43 PRO HA H 43 4.481 4.348 0.133 1
1 394 . 19 1 1 A 43 43 PRO CB C 43 32.178 31.879 0.299 1
1 403 . 19 1 1 A 45 45 SER CA C 45 58.395 59.562 -1.167 1
1 404 . 19 1 1 A 45 45 SER HA H 45 4.459 4.436 0.023 1
1 405 . 19 1 1 A 45 45 SER CB C 45 64.014 63.665 0.349 1
1 407 . 19 1 1 A 45 45 SER C C 45 173.893 174.350 -0.457 1
1 1 . 20 1 1 A 8 8 THR CA C 8 61.941 61.115 0.826 1
1 2 . 20 1 1 A 8 8 THR HA H 8 4.370 4.876 -0.506 1
1 3 . 20 1 1 A 8 8 THR CB C 8 69.887 68.602 1.285 1
1 8 . 20 1 1 A 9 9 GLY CA C 9 45.384 44.205 1.179 1
1 9 . 20 1 1 A 9 9 GLY HA3 H 9 3.952 4.101 -0.149 1
1 10 . 20 1 1 A 9 9 GLY C C 9 174.059 172.007 2.052 1
1 11 . 20 1 1 A 9 9 GLY HA2 H 9 3.952 4.094 -0.142 1
1 12 . 20 1 1 A 10 10 GLN N N 10 119.396 120.059 -0.663 1
1 13 . 20 1 1 A 10 10 GLN H H 10 8.197 8.432 -0.235 1
1 14 . 20 1 1 A 10 10 GLN CA C 10 56.099 55.013 1.086 1
1 15 . 20 1 1 A 10 10 GLN HA H 10 4.254 4.796 -0.542 1
1 16 . 20 1 1 A 10 10 GLN CB C 10 29.534 29.990 -0.456 1
1 23 . 20 1 1 A 10 10 GLN C C 10 175.906 174.940 0.966 1
1 26 . 20 1 1 A 11 11 ARG N N 11 122.290 125.736 -3.446 1
1 27 . 20 1 1 A 11 11 ARG H H 11 8.323 8.371 -0.048 1
1 28 . 20 1 1 A 11 11 ARG CA C 11 53.699 53.857 -0.158 1
1 29 . 20 1 1 A 11 11 ARG HA H 11 4.536 5.098 -0.562 1
1 30 . 20 1 1 A 11 11 ARG CB C 11 30.483 31.011 -0.528 1
1 36 . 20 1 1 A 11 11 ARG C C 11 173.683 174.954 -1.271 1
1 40 . 20 1 1 A 12 12 PRO CA C 12 63.397 63.961 -0.564 1
1 41 . 20 1 1 A 12 12 PRO HA H 12 4.285 4.433 -0.148 1
1 42 . 20 1 1 A 12 12 PRO CB C 12 32.234 31.366 0.868 1
1 48 . 20 1 1 A 12 12 PRO C C 12 176.232 175.546 0.686 1
1 52 . 20 1 1 A 13 13 TYR N N 13 118.384 119.575 -1.191 1
1 53 . 20 1 1 A 13 13 TYR H H 13 8.076 7.473 0.603 1
1 54 . 20 1 1 A 13 13 TYR CA C 13 57.335 56.869 0.466 1
1 55 . 20 1 1 A 13 13 TYR HA H 13 4.617 5.172 -0.555 1
1 56 . 20 1 1 A 13 13 TYR CB C 13 38.356 40.202 -1.846 1
1 66 . 20 1 1 A 13 13 TYR C C 13 174.768 174.975 -0.207 1
1 68 . 20 1 1 A 14 14 GLU N N 14 123.471 123.027 0.444 1
1 69 . 20 1 1 A 14 14 GLU H H 14 8.460 8.984 -0.524 1
1 70 . 20 1 1 A 14 14 GLU CA C 14 55.233 54.554 0.679 1
1 71 . 20 1 1 A 14 14 GLU HA H 14 4.925 5.398 -0.473 1
1 72 . 20 1 1 A 14 14 GLU CB C 14 32.790 33.431 -0.641 1
1 76 . 20 1 1 A 14 14 GLU C C 14 175.483 175.380 0.103 1
1 79 . 20 1 1 A 15 15 CYS N N 15 126.570 122.796 3.774 1
1 80 . 20 1 1 A 15 15 CYS H H 15 9.293 9.049 0.244 1
1 81 . 20 1 1 A 15 15 CYS CA C 15 59.368 59.349 0.019 1
1 82 . 20 1 1 A 15 15 CYS HA H 15 4.608 4.744 -0.136 1
1 83 . 20 1 1 A 15 15 CYS CB C 15 29.874 28.776 1.098 1
1 85 . 20 1 1 A 15 15 CYS C C 15 177.332 174.708 2.624 1
1 87 . 20 1 1 A 16 16 ILE N N 16 114.361 126.126 -11.765 1
1 88 . 20 1 1 A 16 16 ILE H H 16 8.857 8.998 -0.141 1
1 89 . 20 1 1 A 16 16 ILE CA C 16 63.249 62.333 0.916 1
1 90 . 20 1 1 A 16 16 ILE HA H 16 4.126 4.291 -0.165 1
1 91 . 20 1 1 A 16 16 ILE CB C 16 38.266 39.995 -1.729 1
1 103 . 20 1 1 A 16 16 ILE C C 16 176.261 177.903 -1.642 1
1 105 . 20 1 1 A 17 17 GLU N N 17 122.365 121.483 0.882 1
1 106 . 20 1 1 A 17 17 GLU H H 17 8.639 8.126 0.513 1
1 107 . 20 1 1 A 17 17 GLU CA C 17 59.363 59.678 -0.315 1
1 108 . 20 1 1 A 17 17 GLU HA H 17 4.154 3.895 0.259 1
1 109 . 20 1 1 A 17 17 GLU CB C 17 29.427 28.933 0.494 1
1 113 . 20 1 1 A 17 17 GLU C C 17 177.603 178.116 -0.513 1
1 116 . 20 1 1 A 18 18 CYS N N 18 114.731 114.451 0.280 1
1 117 . 20 1 1 A 18 18 CYS H H 18 7.995 7.384 0.611 1
1 118 . 20 1 1 A 18 18 CYS CA C 18 58.612 59.232 -0.620 1
1 119 . 20 1 1 A 18 18 CYS HA H 18 5.146 4.681 0.465 1
1 120 . 20 1 1 A 18 18 CYS CB C 18 32.458 30.308 2.150 1
1 122 . 20 1 1 A 18 18 CYS C C 18 176.248 175.491 0.757 1
1 124 . 20 1 1 A 19 19 GLY N N 19 113.796 109.662 4.134 1
1 125 . 20 1 1 A 19 19 GLY H H 19 8.397 8.450 -0.053 1
1 126 . 20 1 1 A 19 19 GLY CA C 19 46.250 45.435 0.815 1
1 127 . 20 1 1 A 19 19 GLY HA3 H 19 3.882 4.085 -0.203 1
1 128 . 20 1 1 A 19 19 GLY C C 19 173.933 173.726 0.207 1
1 129 . 20 1 1 A 19 19 GLY HA2 H 19 4.222 4.062 0.160 1
1 130 . 20 1 1 A 20 20 LYS N N 20 122.119 122.519 -0.400 1
1 131 . 20 1 1 A 20 20 LYS H H 20 7.887 8.295 -0.408 1
1 132 . 20 1 1 A 20 20 LYS CA C 20 57.780 54.342 3.438 1
1 133 . 20 1 1 A 20 20 LYS HA H 20 4.046 4.868 -0.822 1
1 134 . 20 1 1 A 20 20 LYS CB C 20 34.226 36.749 -2.523 1
1 142 . 20 1 1 A 20 20 LYS C C 20 173.634 174.807 -1.173 1
1 147 . 20 1 1 A 21 21 ALA N N 21 122.988 120.586 2.402 1
1 148 . 20 1 1 A 21 21 ALA H H 21 7.852 8.164 -0.312 1
1 149 . 20 1 1 A 21 21 ALA CA C 21 50.531 51.034 -0.503 1
1 150 . 20 1 1 A 21 21 ALA HA H 21 5.068 5.221 -0.153 1
1 151 . 20 1 1 A 21 21 ALA CB C 21 21.964 22.478 -0.514 1
1 155 . 20 1 1 A 21 21 ALA C C 21 176.493 174.912 1.581 1
1 156 . 20 1 1 A 22 22 PHE N N 22 117.964 119.411 -1.447 1
1 157 . 20 1 1 A 22 22 PHE H H 22 8.646 9.332 -0.686 1
1 158 . 20 1 1 A 22 22 PHE CA C 22 57.636 56.388 1.248 1
1 159 . 20 1 1 A 22 22 PHE HA H 22 4.620 4.926 -0.306 1
1 160 . 20 1 1 A 22 22 PHE CB C 22 43.392 43.373 0.019 1
1 172 . 20 1 1 A 22 22 PHE C C 22 175.473 175.867 -0.394 1
1 174 . 20 1 1 A 23 23 LYS CA C 23 58.582 58.996 -0.414 1
1 175 . 20 1 1 A 23 23 LYS HA H 23 4.413 4.207 0.206 1
1 176 . 20 1 1 A 23 23 LYS CB C 23 34.037 33.098 0.939 1
1 184 . 20 1 1 A 23 23 LYS C C 23 176.876 176.300 0.576 1
1 189 . 20 1 1 A 24 24 THR N N 24 119.640 108.722 10.918 1
1 190 . 20 1 1 A 24 24 THR H H 24 7.250 7.812 -0.562 1
1 191 . 20 1 1 A 24 24 THR CA C 24 58.320 59.564 -1.244 1
1 192 . 20 1 1 A 24 24 THR HA H 24 4.696 4.109 0.587 1
1 193 . 20 1 1 A 24 24 THR CB C 24 72.705 72.592 0.113 1
1 199 . 20 1 1 A 24 24 THR C C 24 173.538 174.529 -0.991 1
1 200 . 20 1 1 A 25 25 LYS N N 25 123.935 121.686 2.249 1
1 201 . 20 1 1 A 25 25 LYS H H 25 8.309 8.280 0.029 1
1 202 . 20 1 1 A 25 25 LYS CA C 25 58.948 60.063 -1.115 1
1 203 . 20 1 1 A 25 25 LYS HA H 25 3.190 3.649 -0.459 1
1 204 . 20 1 1 A 25 25 LYS CB C 25 31.814 31.992 -0.178 1
1 211 . 20 1 1 A 25 25 LYS C C 25 178.575 178.717 -0.142 1
1 216 . 20 1 1 A 26 26 SER N N 26 112.737 114.618 -1.881 1
1 217 . 20 1 1 A 26 26 SER H H 26 8.378 8.073 0.305 1
1 218 . 20 1 1 A 26 26 SER CA C 26 61.462 61.178 0.284 1
1 219 . 20 1 1 A 26 26 SER HA H 26 4.001 4.043 -0.042 1
1 220 . 20 1 1 A 26 26 SER CB C 26 61.997 62.709 -0.712 1
1 222 . 20 1 1 A 26 26 SER C C 26 177.274 176.148 1.126 1
1 224 . 20 1 1 A 27 27 SER N N 27 117.990 117.054 0.936 1
1 225 . 20 1 1 A 27 27 SER H H 27 7.774 7.867 -0.093 1
1 226 . 20 1 1 A 27 27 SER CA C 27 61.787 61.842 -0.055 1
1 227 . 20 1 1 A 27 27 SER HA H 27 4.157 4.308 -0.151 1
1 228 . 20 1 1 A 27 27 SER CB C 27 62.739 63.800 -1.061 1
1 230 . 20 1 1 A 27 27 SER C C 27 176.731 175.644 1.087 1
1 232 . 20 1 1 A 28 28 LEU N N 28 125.136 121.628 3.508 1
1 233 . 20 1 1 A 28 28 LEU H H 28 7.236 7.706 -0.470 1
1 234 . 20 1 1 A 28 28 LEU CA C 28 58.242 57.884 0.358 1
1 235 . 20 1 1 A 28 28 LEU HA H 28 3.274 2.619 0.655 1
1 236 . 20 1 1 A 28 28 LEU CB C 28 40.574 41.360 -0.786 1
1 248 . 20 1 1 A 28 28 LEU C C 28 177.489 178.455 -0.966 1
1 250 . 20 1 1 A 29 29 ILE N N 29 120.340 119.440 0.900 1
1 251 . 20 1 1 A 29 29 ILE H H 29 8.396 8.348 0.048 1
1 252 . 20 1 1 A 29 29 ILE CA C 29 65.377 65.394 -0.017 1
1 253 . 20 1 1 A 29 29 ILE HA H 29 3.486 3.561 -0.075 1
1 254 . 20 1 1 A 29 29 ILE CB C 29 37.558 37.532 0.026 1
1 266 . 20 1 1 A 29 29 ILE C C 29 178.945 178.038 0.907 1
1 268 . 20 1 1 A 30 30 CYS N N 30 117.810 120.034 -2.224 1
1 269 . 20 1 1 A 30 30 CYS H H 30 7.813 8.160 -0.347 1
1 270 . 20 1 1 A 30 30 CYS CA C 30 62.779 62.690 0.089 1
1 271 . 20 1 1 A 30 30 CYS HA H 30 3.983 4.098 -0.115 1
1 272 . 20 1 1 A 30 30 CYS CB C 30 26.511 27.328 -0.817 1
1 274 . 20 1 1 A 30 30 CYS C C 30 177.558 177.012 0.546 1
1 276 . 20 1 1 A 31 31 HIS N N 31 119.264 120.407 -1.143 1
1 277 . 20 1 1 A 31 31 HIS H H 31 7.738 7.950 -0.212 1
1 278 . 20 1 1 A 31 31 HIS CA C 31 59.109 58.413 0.696 1
1 279 . 20 1 1 A 31 31 HIS HA H 31 4.203 4.154 0.049 1
1 280 . 20 1 1 A 31 31 HIS CB C 31 28.121 30.176 -2.055 1
1 286 . 20 1 1 A 31 31 HIS C C 31 177.945 177.114 0.831 1
1 288 . 20 1 1 A 32 32 ARG N N 32 120.501 118.495 2.006 1
1 289 . 20 1 1 A 32 32 ARG H H 32 8.745 8.044 0.701 1
1 290 . 20 1 1 A 32 32 ARG CA C 32 60.292 58.745 1.547 1
1 291 . 20 1 1 A 32 32 ARG HA H 32 3.640 3.969 -0.329 1
1 292 . 20 1 1 A 32 32 ARG CB C 32 29.469 29.700 -0.231 1
1 298 . 20 1 1 A 32 32 ARG C C 32 178.129 179.035 -0.906 1
1 302 . 20 1 1 A 33 33 ARG N N 33 117.976 119.067 -1.091 1
1 303 . 20 1 1 A 33 33 ARG H H 33 7.283 8.057 -0.774 1
1 304 . 20 1 1 A 33 33 ARG CA C 33 58.703 58.708 -0.005 1
1 305 . 20 1 1 A 33 33 ARG HA H 33 4.154 4.053 0.101 1
1 306 . 20 1 1 A 33 33 ARG CB C 33 29.814 29.587 0.227 1
1 312 . 20 1 1 A 33 33 ARG C C 33 177.957 178.349 -0.392 1
1 316 . 20 1 1 A 34 34 SER N N 34 113.862 115.075 -1.213 1
1 317 . 20 1 1 A 34 34 SER H H 34 7.841 7.612 0.229 1
1 318 . 20 1 1 A 34 34 SER CA C 34 60.492 61.220 -0.728 1
1 319 . 20 1 1 A 34 34 SER HA H 34 4.210 4.117 0.093 1
1 320 . 20 1 1 A 34 34 SER CB C 34 63.284 62.917 0.367 1
1 322 . 20 1 1 A 34 34 SER C C 34 175.028 177.221 -2.193 1
1 324 . 20 1 1 A 35 35 HIS N N 35 119.288 118.442 0.846 1
1 325 . 20 1 1 A 35 35 HIS H H 35 7.313 7.518 -0.205 1
1 326 . 20 1 1 A 35 35 HIS CA C 35 55.647 59.151 -3.504 1
1 327 . 20 1 1 A 35 35 HIS HA H 35 4.865 4.376 0.489 1
1 328 . 20 1 1 A 35 35 HIS CB C 35 28.882 29.502 -0.620 1
1 334 . 20 1 1 A 35 35 HIS C C 35 175.603 176.024 -0.421 1
1 336 . 20 1 1 A 36 36 THR N N 36 112.427 112.637 -0.210 1
1 337 . 20 1 1 A 36 36 THR H H 36 7.846 7.300 0.546 1
1 338 . 20 1 1 A 36 36 THR CA C 36 62.411 64.795 -2.384 1
1 339 . 20 1 1 A 36 36 THR HA H 36 4.372 3.956 0.416 1
1 340 . 20 1 1 A 36 36 THR CB C 36 69.891 67.950 1.941 1
1 346 . 20 1 1 A 36 36 THR C C 36 175.363 175.212 0.151 1
1 347 . 20 1 1 A 37 37 GLY N N 37 110.984 113.610 -2.626 1
1 348 . 20 1 1 A 37 37 GLY H H 37 8.339 8.491 -0.152 1
1 349 . 20 1 1 A 37 37 GLY CA C 37 45.387 45.940 -0.553 1
1 350 . 20 1 1 A 37 37 GLY HA3 H 37 3.971 4.162 -0.191 1
1 351 . 20 1 1 A 37 37 GLY C C 37 174.048 173.105 0.943 1
1 352 . 20 1 1 A 37 37 GLY HA2 H 37 3.971 4.159 -0.188 1
1 353 . 20 1 1 A 38 38 GLU N N 38 120.632 124.538 -3.906 1
1 354 . 20 1 1 A 38 38 GLU H H 38 8.114 8.159 -0.045 1
1 355 . 20 1 1 A 38 38 GLU CA C 38 56.455 56.264 0.191 1
1 356 . 20 1 1 A 38 38 GLU HA H 38 4.249 4.446 -0.197 1
1 357 . 20 1 1 A 38 38 GLU CB C 38 30.579 30.450 0.129 1
1 361 . 20 1 1 A 38 38 GLU C C 38 176.214 175.450 0.764 1
1 364 . 20 1 1 A 39 39 LYS N N 39 123.848 126.589 -2.741 1
1 365 . 20 1 1 A 39 39 LYS H H 39 8.429 8.528 -0.099 1
1 366 . 20 1 1 A 39 39 LYS CA C 39 54.125 52.769 1.356 1
1 367 . 20 1 1 A 39 39 LYS HA H 39 4.610 4.679 -0.069 1
1 368 . 20 1 1 A 39 39 LYS CB C 39 32.513 36.171 -3.658 1
1 376 . 20 1 1 A 39 39 LYS C C 39 174.488 175.630 -1.142 1
1 381 . 20 1 1 A 40 40 PRO CA C 40 63.239 63.686 -0.447 1
1 382 . 20 1 1 A 40 40 PRO HA H 40 4.464 4.584 -0.120 1
1 383 . 20 1 1 A 40 40 PRO CB C 40 32.143 32.082 0.061 1
1 392 . 20 1 1 A 43 43 PRO CA C 43 63.278 62.533 0.745 1
1 393 . 20 1 1 A 43 43 PRO HA H 43 4.481 4.555 -0.074 1
1 394 . 20 1 1 A 43 43 PRO CB C 43 32.178 32.571 -0.393 1
1 403 . 20 1 1 A 45 45 SER CA C 45 58.395 58.873 -0.478 1
1 404 . 20 1 1 A 45 45 SER HA H 45 4.459 4.148 0.311 1
1 405 . 20 1 1 A 45 45 SER CB C 45 64.014 61.692 2.322 1
1 407 . 20 1 1 A 45 45 SER C C 45 173.893 174.776 -0.883 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 32 1.068 1
2 1 1 1 "RMS(OBS, PRED)" CA 35 1.111 1
3 1 1 1 "RMS(OBS, PRED)" CB 32 1.196 1
4 1 1 1 "RMS(OBS, PRED)" H 28 0.434 1
5 1 1 1 "RMS(OBS, PRED)" HA 38 0.300 1
6 1 1 1 "RMS(OBS, PRED)" N 28 4.136 1
7 1 2 1 "RMS(OBS, PRED)" C 32 1.155 1
8 1 2 1 "RMS(OBS, PRED)" CA 35 0.987 1
9 1 2 1 "RMS(OBS, PRED)" CB 32 1.168 1
10 1 2 1 "RMS(OBS, PRED)" H 28 0.402 1
11 1 2 1 "RMS(OBS, PRED)" HA 38 0.329 1
12 1 2 1 "RMS(OBS, PRED)" N 28 4.005 1
13 1 3 1 "RMS(OBS, PRED)" C 32 0.949 1
14 1 3 1 "RMS(OBS, PRED)" CA 35 1.225 1
15 1 3 1 "RMS(OBS, PRED)" CB 32 1.337 1
16 1 3 1 "RMS(OBS, PRED)" H 28 0.445 1
17 1 3 1 "RMS(OBS, PRED)" HA 38 0.294 1
18 1 3 1 "RMS(OBS, PRED)" N 28 4.058 1
19 1 4 1 "RMS(OBS, PRED)" C 32 1.066 1
20 1 4 1 "RMS(OBS, PRED)" CA 35 1.378 1
21 1 4 1 "RMS(OBS, PRED)" CB 32 1.533 1
22 1 4 1 "RMS(OBS, PRED)" H 28 0.446 1
23 1 4 1 "RMS(OBS, PRED)" HA 38 0.375 1
24 1 4 1 "RMS(OBS, PRED)" N 28 3.823 1
25 1 5 1 "RMS(OBS, PRED)" C 32 0.906 1
26 1 5 1 "RMS(OBS, PRED)" CA 35 1.304 1
27 1 5 1 "RMS(OBS, PRED)" CB 32 1.569 1
28 1 5 1 "RMS(OBS, PRED)" H 28 0.393 1
29 1 5 1 "RMS(OBS, PRED)" HA 38 0.359 1
30 1 5 1 "RMS(OBS, PRED)" N 28 3.898 1
31 1 6 1 "RMS(OBS, PRED)" C 32 1.021 1
32 1 6 1 "RMS(OBS, PRED)" CA 35 1.044 1
33 1 6 1 "RMS(OBS, PRED)" CB 32 1.207 1
34 1 6 1 "RMS(OBS, PRED)" H 28 0.407 1
35 1 6 1 "RMS(OBS, PRED)" HA 38 0.354 1
36 1 6 1 "RMS(OBS, PRED)" N 28 3.882 1
37 1 7 1 "RMS(OBS, PRED)" C 32 1.048 1
38 1 7 1 "RMS(OBS, PRED)" CA 35 1.276 1
39 1 7 1 "RMS(OBS, PRED)" CB 32 1.225 1
40 1 7 1 "RMS(OBS, PRED)" H 28 0.384 1
41 1 7 1 "RMS(OBS, PRED)" HA 38 0.325 1
42 1 7 1 "RMS(OBS, PRED)" N 28 4.003 1
43 1 8 1 "RMS(OBS, PRED)" C 32 1.153 1
44 1 8 1 "RMS(OBS, PRED)" CA 35 1.366 1
45 1 8 1 "RMS(OBS, PRED)" CB 32 1.019 1
46 1 8 1 "RMS(OBS, PRED)" H 28 0.476 1
47 1 8 1 "RMS(OBS, PRED)" HA 38 0.257 1
48 1 8 1 "RMS(OBS, PRED)" N 28 3.989 1
49 1 9 1 "RMS(OBS, PRED)" C 32 0.979 1
50 1 9 1 "RMS(OBS, PRED)" CA 35 1.166 1
51 1 9 1 "RMS(OBS, PRED)" CB 32 0.939 1
52 1 9 1 "RMS(OBS, PRED)" H 28 0.413 1
53 1 9 1 "RMS(OBS, PRED)" HA 38 0.296 1
54 1 9 1 "RMS(OBS, PRED)" N 28 4.223 1
55 1 10 1 "RMS(OBS, PRED)" C 32 1.013 1
56 1 10 1 "RMS(OBS, PRED)" CA 35 1.309 1
57 1 10 1 "RMS(OBS, PRED)" CB 32 1.294 1
58 1 10 1 "RMS(OBS, PRED)" H 28 0.354 1
59 1 10 1 "RMS(OBS, PRED)" HA 38 0.403 1
60 1 10 1 "RMS(OBS, PRED)" N 28 4.196 1
61 1 11 1 "RMS(OBS, PRED)" C 32 1.136 1
62 1 11 1 "RMS(OBS, PRED)" CA 35 1.092 1
63 1 11 1 "RMS(OBS, PRED)" CB 32 1.097 1
64 1 11 1 "RMS(OBS, PRED)" H 28 0.458 1
65 1 11 1 "RMS(OBS, PRED)" HA 38 0.297 1
66 1 11 1 "RMS(OBS, PRED)" N 28 4.166 1
67 1 12 1 "RMS(OBS, PRED)" C 32 0.992 1
68 1 12 1 "RMS(OBS, PRED)" CA 35 1.035 1
69 1 12 1 "RMS(OBS, PRED)" CB 32 1.643 1
70 1 12 1 "RMS(OBS, PRED)" H 28 0.477 1
71 1 12 1 "RMS(OBS, PRED)" HA 38 0.342 1
72 1 12 1 "RMS(OBS, PRED)" N 28 3.676 1
73 1 13 1 "RMS(OBS, PRED)" C 32 1.103 1
74 1 13 1 "RMS(OBS, PRED)" CA 35 1.111 1
75 1 13 1 "RMS(OBS, PRED)" CB 32 1.017 1
76 1 13 1 "RMS(OBS, PRED)" H 28 0.390 1
77 1 13 1 "RMS(OBS, PRED)" HA 38 0.308 1
78 1 13 1 "RMS(OBS, PRED)" N 28 3.905 1
79 1 14 1 "RMS(OBS, PRED)" C 32 1.115 1
80 1 14 1 "RMS(OBS, PRED)" CA 35 1.349 1
81 1 14 1 "RMS(OBS, PRED)" CB 32 1.224 1
82 1 14 1 "RMS(OBS, PRED)" H 28 0.384 1
83 1 14 1 "RMS(OBS, PRED)" HA 38 0.393 1
84 1 14 1 "RMS(OBS, PRED)" N 28 3.887 1
85 1 15 1 "RMS(OBS, PRED)" C 32 1.123 1
86 1 15 1 "RMS(OBS, PRED)" CA 35 1.315 1
87 1 15 1 "RMS(OBS, PRED)" CB 32 1.178 1
88 1 15 1 "RMS(OBS, PRED)" H 28 0.446 1
89 1 15 1 "RMS(OBS, PRED)" HA 38 0.325 1
90 1 15 1 "RMS(OBS, PRED)" N 28 3.941 1
91 1 16 1 "RMS(OBS, PRED)" C 32 1.068 1
92 1 16 1 "RMS(OBS, PRED)" CA 35 1.255 1
93 1 16 1 "RMS(OBS, PRED)" CB 32 1.152 1
94 1 16 1 "RMS(OBS, PRED)" H 28 0.469 1
95 1 16 1 "RMS(OBS, PRED)" HA 38 0.330 1
96 1 16 1 "RMS(OBS, PRED)" N 28 3.558 1
97 1 17 1 "RMS(OBS, PRED)" C 32 1.161 1
98 1 17 1 "RMS(OBS, PRED)" CA 35 1.064 1
99 1 17 1 "RMS(OBS, PRED)" CB 32 1.505 1
100 1 17 1 "RMS(OBS, PRED)" H 28 0.492 1
101 1 17 1 "RMS(OBS, PRED)" HA 38 0.346 1
102 1 17 1 "RMS(OBS, PRED)" N 28 3.752 1
103 1 18 1 "RMS(OBS, PRED)" C 32 1.142 1
104 1 18 1 "RMS(OBS, PRED)" CA 35 0.945 1
105 1 18 1 "RMS(OBS, PRED)" CB 32 1.240 1
106 1 18 1 "RMS(OBS, PRED)" H 28 0.438 1
107 1 18 1 "RMS(OBS, PRED)" HA 38 0.303 1
108 1 18 1 "RMS(OBS, PRED)" N 28 3.654 1
109 1 19 1 "RMS(OBS, PRED)" C 32 0.956 1
110 1 19 1 "RMS(OBS, PRED)" CA 35 1.142 1
111 1 19 1 "RMS(OBS, PRED)" CB 32 1.011 1
112 1 19 1 "RMS(OBS, PRED)" H 28 0.478 1
113 1 19 1 "RMS(OBS, PRED)" HA 38 0.281 1
114 1 19 1 "RMS(OBS, PRED)" N 28 3.978 1
115 1 20 1 "RMS(OBS, PRED)" C 32 1.105 1
116 1 20 1 "RMS(OBS, PRED)" CA 35 1.183 1
117 1 20 1 "RMS(OBS, PRED)" CB 32 1.318 1
118 1 20 1 "RMS(OBS, PRED)" H 28 0.407 1
119 1 20 1 "RMS(OBS, PRED)" HA 38 0.348 1
120 1 20 1 "RMS(OBS, PRED)" N 28 3.740 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 8 8 THR CA C 8 61.941 61.774 0.167 2
1 2 . 1 1 A 8 8 THR HA H 8 4.370 4.539 -0.169 2
1 3 . 1 1 A 8 8 THR CB C 8 69.887 69.992 -0.105 2
1 8 . 1 1 A 9 9 GLY CA C 9 45.384 45.500 -0.116 2
1 9 . 1 1 A 9 9 GLY HA3 H 9 3.952 4.038 -0.087 2
1 10 . 1 1 A 9 9 GLY C C 9 174.059 173.801 0.258 2
1 11 . 1 1 A 9 9 GLY HA2 H 9 3.952 4.035 -0.083 2
1 12 . 1 1 A 10 10 GLN N N 10 119.396 120.044 -0.648 2
1 13 . 1 1 A 10 10 GLN H H 10 8.197 8.330 -0.133 2
1 14 . 1 1 A 10 10 GLN CA C 10 56.099 56.118 -0.019 2
1 15 . 1 1 A 10 10 GLN HA H 10 4.254 4.528 -0.274 2
1 16 . 1 1 A 10 10 GLN CB C 10 29.534 30.155 -0.621 2
1 23 . 1 1 A 10 10 GLN C C 10 175.906 175.301 0.605 2
1 26 . 1 1 A 11 11 ARG N N 11 122.290 120.827 1.463 2
1 27 . 1 1 A 11 11 ARG H H 11 8.323 8.085 0.238 2
1 28 . 1 1 A 11 11 ARG CA C 11 53.699 53.643 0.056 2
1 29 . 1 1 A 11 11 ARG HA H 11 4.536 4.639 -0.103 2
1 30 . 1 1 A 11 11 ARG CB C 11 30.483 30.817 -0.334 2
1 36 . 1 1 A 11 11 ARG C C 11 173.683 175.853 -2.170 2
1 40 . 1 1 A 12 12 PRO CA C 12 63.397 64.153 -0.756 2
1 41 . 1 1 A 12 12 PRO HA H 12 4.285 4.330 -0.045 2
1 42 . 1 1 A 12 12 PRO CB C 12 32.234 31.440 0.794 2
1 48 . 1 1 A 12 12 PRO C C 12 176.232 175.757 0.475 2
1 52 . 1 1 A 13 13 TYR N N 13 118.384 118.432 -0.048 2
1 53 . 1 1 A 13 13 TYR H H 13 8.076 7.529 0.547 2
1 54 . 1 1 A 13 13 TYR CA C 13 57.335 56.761 0.574 2
1 55 . 1 1 A 13 13 TYR HA H 13 4.617 5.176 -0.559 2
1 56 . 1 1 A 13 13 TYR CB C 13 38.356 40.082 -1.726 2
1 66 . 1 1 A 13 13 TYR C C 13 174.768 175.004 -0.236 2
1 68 . 1 1 A 14 14 GLU N N 14 123.471 123.097 0.374 2
1 69 . 1 1 A 14 14 GLU H H 14 8.460 8.954 -0.494 2
1 70 . 1 1 A 14 14 GLU CA C 14 55.233 54.755 0.478 2
1 71 . 1 1 A 14 14 GLU HA H 14 4.925 5.316 -0.391 2
1 72 . 1 1 A 14 14 GLU CB C 14 32.790 33.522 -0.732 2
1 76 . 1 1 A 14 14 GLU C C 14 175.483 175.002 0.481 2
1 79 . 1 1 A 15 15 CYS N N 15 126.570 122.213 4.357 2
1 80 . 1 1 A 15 15 CYS H H 15 9.293 9.201 0.092 2
1 81 . 1 1 A 15 15 CYS CA C 15 59.368 58.225 1.143 2
1 82 . 1 1 A 15 15 CYS HA H 15 4.608 4.852 -0.244 2
1 83 . 1 1 A 15 15 CYS CB C 15 29.874 29.344 0.530 2
1 85 . 1 1 A 15 15 CYS C C 15 177.332 175.072 2.260 2
1 87 . 1 1 A 16 16 ILE N N 16 114.361 127.828 -13.467 2
1 88 . 1 1 A 16 16 ILE H H 16 8.857 8.667 0.190 2
1 89 . 1 1 A 16 16 ILE CA C 16 63.249 63.003 0.246 2
1 90 . 1 1 A 16 16 ILE HA H 16 4.126 4.141 -0.015 2
1 91 . 1 1 A 16 16 ILE CB C 16 38.266 38.339 -0.073 2
1 103 . 1 1 A 16 16 ILE C C 16 176.261 177.432 -1.171 2
1 105 . 1 1 A 17 17 GLU N N 17 122.365 120.996 1.369 2
1 106 . 1 1 A 17 17 GLU H H 17 8.639 8.146 0.493 2
1 107 . 1 1 A 17 17 GLU CA C 17 59.363 59.352 0.011 2
1 108 . 1 1 A 17 17 GLU HA H 17 4.154 3.980 0.174 2
1 109 . 1 1 A 17 17 GLU CB C 17 29.427 29.355 0.072 2
1 113 . 1 1 A 17 17 GLU C C 17 177.603 178.034 -0.431 2
1 116 . 1 1 A 18 18 CYS N N 18 114.731 114.929 -0.198 2
1 117 . 1 1 A 18 18 CYS H H 18 7.995 7.533 0.462 2
1 118 . 1 1 A 18 18 CYS CA C 18 58.612 59.569 -0.957 2
1 119 . 1 1 A 18 18 CYS HA H 18 5.146 4.658 0.488 2
1 120 . 1 1 A 18 18 CYS CB C 18 32.458 29.955 2.503 2
1 122 . 1 1 A 18 18 CYS C C 18 176.248 175.467 0.781 2
1 124 . 1 1 A 19 19 GLY N N 19 113.796 109.893 3.903 2
1 125 . 1 1 A 19 19 GLY H H 19 8.397 8.356 0.041 2
1 126 . 1 1 A 19 19 GLY CA C 19 46.250 45.797 0.453 2
1 127 . 1 1 A 19 19 GLY HA3 H 19 3.882 4.080 -0.198 2
1 128 . 1 1 A 19 19 GLY C C 19 173.933 173.977 -0.044 2
1 129 . 1 1 A 19 19 GLY HA2 H 19 4.222 4.064 0.158 2
1 130 . 1 1 A 20 20 LYS N N 20 122.119 120.102 2.017 2
1 131 . 1 1 A 20 20 LYS H H 20 7.887 7.823 0.064 2
1 132 . 1 1 A 20 20 LYS CA C 20 57.780 54.542 3.238 2
1 133 . 1 1 A 20 20 LYS HA H 20 4.046 4.808 -0.762 2
1 134 . 1 1 A 20 20 LYS CB C 20 34.226 35.719 -1.493 2
1 142 . 1 1 A 20 20 LYS C C 20 173.634 174.598 -0.964 2
1 147 . 1 1 A 21 21 ALA N N 21 122.988 123.644 -0.656 2
1 148 . 1 1 A 21 21 ALA H H 21 7.852 8.508 -0.656 2
1 149 . 1 1 A 21 21 ALA CA C 21 50.531 50.410 0.121 2
1 150 . 1 1 A 21 21 ALA HA H 21 5.068 5.447 -0.379 2
1 151 . 1 1 A 21 21 ALA CB C 21 21.964 22.585 -0.621 2
1 155 . 1 1 A 21 21 ALA C C 21 176.493 175.505 0.988 2
1 156 . 1 1 A 22 22 PHE N N 22 117.964 118.284 -0.320 2
1 157 . 1 1 A 22 22 PHE H H 22 8.646 9.113 -0.467 2
1 158 . 1 1 A 22 22 PHE CA C 22 57.636 56.510 1.126 2
1 159 . 1 1 A 22 22 PHE HA H 22 4.620 4.945 -0.325 2
1 160 . 1 1 A 22 22 PHE CB C 22 43.392 43.079 0.313 2
1 172 . 1 1 A 22 22 PHE C C 22 175.473 175.976 -0.504 2
1 174 . 1 1 A 23 23 LYS CA C 23 58.582 58.466 0.116 2
1 175 . 1 1 A 23 23 LYS HA H 23 4.413 4.321 0.092 2
1 176 . 1 1 A 23 23 LYS CB C 23 34.037 33.074 0.964 2
1 184 . 1 1 A 23 23 LYS C C 23 176.876 176.495 0.381 2
1 189 . 1 1 A 24 24 THR N N 24 119.640 110.325 9.315 2
1 190 . 1 1 A 24 24 THR H H 24 7.250 7.778 -0.528 2
1 191 . 1 1 A 24 24 THR CA C 24 58.320 59.606 -1.286 2
1 192 . 1 1 A 24 24 THR HA H 24 4.696 4.605 0.091 2
1 193 . 1 1 A 24 24 THR CB C 24 72.705 71.525 1.180 2
1 199 . 1 1 A 24 24 THR C C 24 173.538 174.569 -1.031 2
1 200 . 1 1 A 25 25 LYS N N 25 123.935 123.206 0.729 2
1 201 . 1 1 A 25 25 LYS H H 25 8.309 8.339 -0.030 2
1 202 . 1 1 A 25 25 LYS CA C 25 58.948 59.680 -0.732 2
1 203 . 1 1 A 25 25 LYS HA H 25 3.190 3.389 -0.199 2
1 204 . 1 1 A 25 25 LYS CB C 25 31.814 31.739 0.075 2
1 211 . 1 1 A 25 25 LYS C C 25 178.575 178.043 0.532 2
1 216 . 1 1 A 26 26 SER N N 26 112.737 115.663 -2.926 2
1 217 . 1 1 A 26 26 SER H H 26 8.378 8.011 0.367 2
1 218 . 1 1 A 26 26 SER CA C 26 61.462 61.666 -0.203 2
1 219 . 1 1 A 26 26 SER HA H 26 4.001 4.043 -0.042 2
1 220 . 1 1 A 26 26 SER CB C 26 61.997 62.723 -0.726 2
1 222 . 1 1 A 26 26 SER C C 26 177.274 176.599 0.675 2
1 224 . 1 1 A 27 27 SER N N 27 117.990 116.661 1.329 2
1 225 . 1 1 A 27 27 SER H H 27 7.774 7.988 -0.214 2
1 226 . 1 1 A 27 27 SER CA C 27 61.787 61.942 -0.155 2
1 227 . 1 1 A 27 27 SER HA H 27 4.157 4.119 0.038 2
1 228 . 1 1 A 27 27 SER CB C 27 62.739 63.017 -0.278 2
1 230 . 1 1 A 27 27 SER C C 27 176.731 176.155 0.576 2
1 232 . 1 1 A 28 28 LEU N N 28 125.136 121.951 3.185 2
1 233 . 1 1 A 28 28 LEU H H 28 7.236 7.623 -0.387 2
1 234 . 1 1 A 28 28 LEU CA C 28 58.242 57.609 0.633 2
1 235 . 1 1 A 28 28 LEU HA H 28 3.274 2.862 0.412 2
1 236 . 1 1 A 28 28 LEU CB C 28 40.574 41.429 -0.855 2
1 248 . 1 1 A 28 28 LEU C C 28 177.489 178.406 -0.917 2
1 250 . 1 1 A 29 29 ILE N N 29 120.340 119.214 1.126 2
1 251 . 1 1 A 29 29 ILE H H 29 8.396 8.209 0.187 2
1 252 . 1 1 A 29 29 ILE CA C 29 65.377 65.259 0.118 2
1 253 . 1 1 A 29 29 ILE HA H 29 3.486 3.532 -0.046 2
1 254 . 1 1 A 29 29 ILE CB C 29 37.558 37.666 -0.108 2
1 266 . 1 1 A 29 29 ILE C C 29 178.945 177.991 0.954 2
1 268 . 1 1 A 30 30 CYS N N 30 117.810 119.726 -1.916 2
1 269 . 1 1 A 30 30 CYS H H 30 7.813 7.897 -0.084 2
1 270 . 1 1 A 30 30 CYS CA C 30 62.779 62.728 0.051 2
1 271 . 1 1 A 30 30 CYS HA H 30 3.983 4.044 -0.061 2
1 272 . 1 1 A 30 30 CYS CB C 30 26.511 26.950 -0.439 2
1 274 . 1 1 A 30 30 CYS C C 30 177.558 176.940 0.618 2
1 276 . 1 1 A 31 31 HIS N N 31 119.264 120.304 -1.040 2
1 277 . 1 1 A 31 31 HIS H H 31 7.738 7.809 -0.071 2
1 278 . 1 1 A 31 31 HIS CA C 31 59.109 59.162 -0.053 2
1 279 . 1 1 A 31 31 HIS HA H 31 4.203 4.127 0.076 2
1 280 . 1 1 A 31 31 HIS CB C 31 28.121 29.830 -1.709 2
1 286 . 1 1 A 31 31 HIS C C 31 177.945 177.071 0.874 2
1 288 . 1 1 A 32 32 ARG N N 32 120.501 118.449 2.052 2
1 289 . 1 1 A 32 32 ARG H H 32 8.745 8.298 0.447 2
1 290 . 1 1 A 32 32 ARG CA C 32 60.292 59.445 0.847 2
1 291 . 1 1 A 32 32 ARG HA H 32 3.640 3.930 -0.290 2
1 292 . 1 1 A 32 32 ARG CB C 32 29.469 30.040 -0.571 2
1 298 . 1 1 A 32 32 ARG C C 32 178.129 178.592 -0.463 2
1 302 . 1 1 A 33 33 ARG N N 33 117.976 119.011 -1.035 2
1 303 . 1 1 A 33 33 ARG H H 33 7.283 7.969 -0.686 2
1 304 . 1 1 A 33 33 ARG CA C 33 58.703 58.799 -0.096 2
1 305 . 1 1 A 33 33 ARG HA H 33 4.154 4.077 0.077 2
1 306 . 1 1 A 33 33 ARG CB C 33 29.814 30.007 -0.193 2
1 312 . 1 1 A 33 33 ARG C C 33 177.957 178.514 -0.557 2
1 316 . 1 1 A 34 34 SER N N 34 113.862 115.754 -1.892 2
1 317 . 1 1 A 34 34 SER H H 34 7.841 7.783 0.058 2
1 318 . 1 1 A 34 34 SER CA C 34 60.492 61.490 -0.998 2
1 319 . 1 1 A 34 34 SER HA H 34 4.210 4.116 0.094 2
1 320 . 1 1 A 34 34 SER CB C 34 63.284 62.815 0.469 2
1 322 . 1 1 A 34 34 SER C C 34 175.028 176.587 -1.559 2
1 324 . 1 1 A 35 35 HIS N N 35 119.288 118.588 0.700 2
1 325 . 1 1 A 35 35 HIS H H 35 7.313 7.627 -0.314 2
1 326 . 1 1 A 35 35 HIS CA C 35 55.647 57.900 -2.253 2
1 327 . 1 1 A 35 35 HIS HA H 35 4.865 4.391 0.474 2
1 328 . 1 1 A 35 35 HIS CB C 35 28.882 29.380 -0.498 2
1 334 . 1 1 A 35 35 HIS C C 35 175.603 175.928 -0.325 2
1 336 . 1 1 A 36 36 THR N N 36 112.427 111.051 1.376 2
1 337 . 1 1 A 36 36 THR H H 36 7.846 7.699 0.147 2
1 338 . 1 1 A 36 36 THR CA C 36 62.411 62.642 -0.231 2
1 339 . 1 1 A 36 36 THR HA H 36 4.372 4.229 0.143 2
1 340 . 1 1 A 36 36 THR CB C 36 69.891 68.922 0.969 2
1 346 . 1 1 A 36 36 THR C C 36 175.363 174.654 0.709 2
1 347 . 1 1 A 37 37 GLY N N 37 110.984 111.530 -0.546 2
1 348 . 1 1 A 37 37 GLY H H 37 8.339 8.333 0.006 2
1 349 . 1 1 A 37 37 GLY CA C 37 45.387 45.725 -0.338 2
1 350 . 1 1 A 37 37 GLY HA3 H 37 3.971 4.102 -0.131 2
1 351 . 1 1 A 37 37 GLY C C 37 174.048 173.240 0.808 2
1 352 . 1 1 A 37 37 GLY HA2 H 37 3.971 4.099 -0.128 2
1 353 . 1 1 A 38 38 GLU N N 38 120.632 122.260 -1.627 2
1 354 . 1 1 A 38 38 GLU H H 38 8.114 8.323 -0.209 2
1 355 . 1 1 A 38 38 GLU CA C 38 56.455 55.871 0.584 2
1 356 . 1 1 A 38 38 GLU HA H 38 4.249 4.564 -0.315 2
1 357 . 1 1 A 38 38 GLU CB C 38 30.579 30.864 -0.285 2
1 361 . 1 1 A 38 38 GLU C C 38 176.214 175.536 0.678 2
1 364 . 1 1 A 39 39 LYS N N 39 123.848 123.448 0.400 2
1 365 . 1 1 A 39 39 LYS H H 39 8.429 8.429 0.000 2
1 366 . 1 1 A 39 39 LYS CA C 39 54.125 54.271 -0.146 2
1 367 . 1 1 A 39 39 LYS HA H 39 4.610 4.613 -0.003 2
1 368 . 1 1 A 39 39 LYS CB C 39 32.513 33.642 -1.129 2
1 376 . 1 1 A 39 39 LYS C C 39 174.488 174.849 -0.361 2
1 381 . 1 1 A 40 40 PRO CA C 40 63.239 62.890 0.349 2
1 382 . 1 1 A 40 40 PRO HA H 40 4.464 4.630 -0.166 2
1 383 . 1 1 A 40 40 PRO CB C 40 32.143 31.898 0.245 2
1 392 . 1 1 A 43 43 PRO CA C 43 63.278 63.020 0.258 2
1 393 . 1 1 A 43 43 PRO HA H 43 4.481 4.583 -0.102 2
1 394 . 1 1 A 43 43 PRO CB C 43 32.178 31.937 0.241 2
1 403 . 1 1 A 45 45 SER CA C 45 58.395 57.906 0.489 2
1 404 . 1 1 A 45 45 SER HA H 45 4.459 4.755 -0.296 2
1 405 . 1 1 A 45 45 SER CB C 45 64.014 64.182 -0.168 2
1 407 . 1 1 A 45 45 SER C C 45 173.893 174.528 -0.635 2
stop_
save_