data_15928_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15928
_Entry.PDB_ID 2K7S
_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 2 2 ALA HA H 2 4.298 4.741 -0.443 1
1 5 . 1 1 1 A 2 2 ALA CA C 2 53.448 50.802 2.646 1
1 6 . 1 1 1 A 2 2 ALA CB C 2 19.236 19.509 -0.273 1
1 7 . 1 1 1 A 3 3 MET H H 3 8.518 8.495 0.023 1
1 12 . 1 1 1 A 3 3 MET N N 3 117.762 121.864 -4.102 1
1 13 . 1 1 1 A 4 4 ASP CA C 4 54.632 52.931 1.701 1
1 14 . 1 1 1 A 4 4 ASP CB C 4 41.102 40.954 0.148 1
1 15 . 1 1 1 A 5 5 ASN H H 5 8.332 8.508 -0.176 1
1 18 . 1 1 1 A 5 5 ASN CA C 5 53.361 55.817 -2.456 1
1 19 . 1 1 1 A 5 5 ASN CB C 5 38.775 39.323 -0.548 1
1 20 . 1 1 1 A 5 5 ASN N N 5 118.200 119.133 -0.933 1
1 22 . 1 1 1 A 6 6 VAL H H 6 7.939 7.611 0.328 1
1 23 . 1 1 1 A 6 6 VAL HA H 6 4.142 4.609 -0.467 1
1 31 . 1 1 1 A 6 6 VAL CA C 6 62.634 58.829 3.805 1
1 32 . 1 1 1 A 6 6 VAL CB C 6 32.598 34.459 -1.861 1
1 35 . 1 1 1 A 6 6 VAL N N 6 120.396 114.710 5.686 1
1 36 . 1 1 1 A 7 7 CYS H H 7 8.304 8.787 -0.483 1
1 37 . 1 1 1 A 7 7 CYS CA C 7 56.095 61.509 -5.414 1
1 38 . 1 1 1 A 7 7 CYS CB C 7 32.967 27.401 5.566 1
1 39 . 1 1 1 A 7 7 CYS N N 7 124.774 120.010 4.764 1
1 40 . 1 1 1 A 9 9 PRO HA H 9 4.547 4.772 -0.225 1
1 46 . 1 1 1 A 9 9 PRO C C 9 176.493 175.728 0.765 1
1 47 . 1 1 1 A 9 9 PRO CA C 9 63.142 62.366 0.776 1
1 48 . 1 1 1 A 9 9 PRO CB C 9 32.554 33.251 -0.697 1
1 51 . 1 1 1 A 10 10 THR H H 10 8.368 8.759 -0.391 1
1 52 . 1 1 1 A 10 10 THR HA H 10 4.418 4.458 -0.040 1
1 57 . 1 1 1 A 10 10 THR C C 10 172.743 173.577 -0.834 1
1 58 . 1 1 1 A 10 10 THR CA C 10 61.197 62.923 -1.726 1
1 59 . 1 1 1 A 10 10 THR CB C 10 69.660 71.381 -1.721 1
1 61 . 1 1 1 A 10 10 THR N N 10 112.513 113.615 -1.102 1
1 62 . 1 1 1 A 11 11 GLU H H 11 7.813 7.927 -0.114 1
1 63 . 1 1 1 A 11 11 GLU HA H 11 5.549 5.115 0.434 1
1 68 . 1 1 1 A 11 11 GLU C C 11 173.062 174.174 -1.112 1
1 69 . 1 1 1 A 11 11 GLU CA C 11 53.855 55.493 -1.638 1
1 70 . 1 1 1 A 11 11 GLU CB C 11 33.820 32.792 1.028 1
1 72 . 1 1 1 A 11 11 GLU N N 11 119.491 116.380 3.111 1
1 73 . 1 1 1 A 12 12 PHE H H 12 8.198 8.787 -0.589 1
1 74 . 1 1 1 A 12 12 PHE HA H 12 5.014 5.588 -0.574 1
1 82 . 1 1 1 A 12 12 PHE C C 12 171.976 173.571 -1.595 1
1 83 . 1 1 1 A 12 12 PHE CA C 12 55.597 55.319 0.278 1
1 84 . 1 1 1 A 12 12 PHE CB C 12 42.384 42.125 0.259 1
1 90 . 1 1 1 A 12 12 PHE N N 12 111.146 117.202 -6.056 1
1 91 . 1 1 1 A 13 13 ILE H H 13 8.655 8.863 -0.208 1
1 92 . 1 1 1 A 13 13 ILE HA H 13 4.165 4.396 -0.231 1
1 102 . 1 1 1 A 13 13 ILE C C 13 173.432 174.906 -1.474 1
1 103 . 1 1 1 A 13 13 ILE CA C 13 62.270 62.011 0.259 1
1 104 . 1 1 1 A 13 13 ILE CB C 13 39.957 36.778 3.179 1
1 108 . 1 1 1 A 13 13 ILE N N 13 121.427 124.641 -3.214 1
1 109 . 1 1 1 A 14 14 SER H H 14 8.034 8.942 -0.908 1
1 110 . 1 1 1 A 14 14 SER HA H 14 5.588 5.149 0.439 1
1 113 . 1 1 1 A 14 14 SER C C 14 173.429 173.533 -0.104 1
1 114 . 1 1 1 A 14 14 SER CA C 14 56.650 56.623 0.027 1
1 115 . 1 1 1 A 14 14 SER CB C 14 70.177 64.967 5.210 1
1 116 . 1 1 1 A 14 14 SER N N 14 121.358 123.134 -1.776 1
1 117 . 1 1 1 A 15 15 ARG H H 15 9.545 8.881 0.664 1
1 118 . 1 1 1 A 15 15 ARG HA H 15 5.826 4.852 0.974 1
1 126 . 1 1 1 A 15 15 ARG C C 15 176.042 175.522 0.520 1
1 127 . 1 1 1 A 15 15 ARG CA C 15 55.105 55.561 -0.456 1
1 128 . 1 1 1 A 15 15 ARG CB C 15 35.587 32.636 2.951 1
1 131 . 1 1 1 A 15 15 ARG N N 15 118.317 127.172 -8.855 1
1 133 . 1 1 1 A 16 16 HIS H H 16 8.730 8.217 0.513 1
1 134 . 1 1 1 A 16 16 HIS HA H 16 5.555 5.458 0.097 1
1 141 . 1 1 1 A 16 16 HIS C C 16 174.062 173.075 0.987 1
1 142 . 1 1 1 A 16 16 HIS CA C 16 54.057 54.641 -0.584 1
1 143 . 1 1 1 A 16 16 HIS CB C 16 31.334 31.236 0.098 1
1 146 . 1 1 1 A 16 16 HIS N N 16 117.425 116.823 0.602 1
1 148 . 1 1 1 A 17 17 ASN H H 17 8.201 8.804 -0.603 1
1 149 . 1 1 1 A 17 17 ASN HA H 17 4.897 5.062 -0.165 1
1 154 . 1 1 1 A 17 17 ASN C C 17 178.263 175.658 2.605 1
1 155 . 1 1 1 A 17 17 ASN CA C 17 51.104 51.750 -0.646 1
1 156 . 1 1 1 A 17 17 ASN CB C 17 38.469 39.004 -0.535 1
1 157 . 1 1 1 A 17 17 ASN N N 17 116.276 117.925 -1.649 1
1 159 . 1 1 1 A 18 18 ILE H H 18 8.774 8.792 -0.018 1
1 160 . 1 1 1 A 18 18 ILE HA H 18 3.795 3.917 -0.122 1
1 170 . 1 1 1 A 18 18 ILE C C 18 174.851 177.751 -2.900 1
1 171 . 1 1 1 A 18 18 ILE CA C 18 64.399 64.109 0.290 1
1 172 . 1 1 1 A 18 18 ILE CB C 18 38.072 37.869 0.203 1
1 176 . 1 1 1 A 18 18 ILE N N 18 120.001 120.218 -0.217 1
1 177 . 1 1 1 A 19 19 GLU H H 19 7.213 7.829 -0.616 1
1 178 . 1 1 1 A 19 19 GLU HA H 19 4.225 4.118 0.107 1
1 183 . 1 1 1 A 19 19 GLU CA C 19 57.145 56.816 0.329 1
1 184 . 1 1 1 A 19 19 GLU CB C 19 29.878 29.795 0.083 1
1 186 . 1 1 1 A 19 19 GLU N N 19 116.538 119.921 -3.383 1
1 187 . 1 1 1 A 20 20 GLY H H 20 7.845 7.844 0.001 1
1 188 . 1 1 1 A 20 20 GLY HA2 H 20 4.878 2.793 2.085 1
1 189 . 1 1 1 A 20 20 GLY HA3 H 20 2.886 3.632 -0.746 1
1 190 . 1 1 1 A 20 20 GLY C C 20 172.992 174.072 -1.080 1
1 191 . 1 1 1 A 20 20 GLY CA C 20 44.049 44.288 -0.239 1
1 192 . 1 1 1 A 20 20 GLY N N 20 104.883 106.146 -1.263 1
1 193 . 1 1 1 A 21 21 ILE H H 21 7.841 7.568 0.273 1
1 194 . 1 1 1 A 21 21 ILE HA H 21 3.995 4.169 -0.174 1
1 204 . 1 1 1 A 21 21 ILE C C 21 176.915 175.372 1.543 1
1 205 . 1 1 1 A 21 21 ILE CA C 21 60.302 61.667 -1.365 1
1 206 . 1 1 1 A 21 21 ILE CB C 21 36.111 38.009 -1.898 1
1 210 . 1 1 1 A 21 21 ILE N N 21 120.855 122.704 -1.849 1
1 211 . 1 1 1 A 22 22 PHE H H 22 8.896 8.657 0.239 1
1 212 . 1 1 1 A 22 22 PHE HA H 22 5.052 4.999 0.053 1
1 220 . 1 1 1 A 22 22 PHE C C 22 177.971 176.251 1.720 1
1 221 . 1 1 1 A 22 22 PHE CA C 22 59.625 59.110 0.515 1
1 222 . 1 1 1 A 22 22 PHE CB C 22 39.984 39.081 0.903 1
1 228 . 1 1 1 A 22 22 PHE N N 22 125.849 128.529 -2.680 1
1 229 . 1 1 1 A 23 23 THR H H 23 9.771 8.946 0.825 1
1 230 . 1 1 1 A 23 23 THR HA H 23 4.403 4.503 -0.100 1
1 235 . 1 1 1 A 23 23 THR C C 23 175.589 174.589 1.000 1
1 236 . 1 1 1 A 23 23 THR CA C 23 61.611 62.252 -0.641 1
1 237 . 1 1 1 A 23 23 THR CB C 23 69.193 69.223 -0.030 1
1 239 . 1 1 1 A 23 23 THR N N 23 117.677 115.759 1.918 1
1 240 . 1 1 1 A 24 24 PHE H H 24 7.948 7.395 0.553 1
1 241 . 1 1 1 A 24 24 PHE HA H 24 4.483 4.751 -0.268 1
1 249 . 1 1 1 A 24 24 PHE C C 24 173.376 173.257 0.119 1
1 250 . 1 1 1 A 24 24 PHE CA C 24 59.142 58.196 0.946 1
1 251 . 1 1 1 A 24 24 PHE CB C 24 42.161 42.431 -0.270 1
1 257 . 1 1 1 A 24 24 PHE N N 24 123.378 121.192 2.186 1
1 258 . 1 1 1 A 25 25 VAL H H 25 7.340 7.464 -0.124 1
1 259 . 1 1 1 A 25 25 VAL HA H 25 4.166 4.336 -0.170 1
1 267 . 1 1 1 A 25 25 VAL C C 25 173.103 173.521 -0.418 1
1 268 . 1 1 1 A 25 25 VAL CA C 25 61.539 60.417 1.122 1
1 269 . 1 1 1 A 25 25 VAL CB C 25 35.683 34.953 0.730 1
1 272 . 1 1 1 A 25 25 VAL N N 25 124.777 123.856 0.921 1
1 273 . 1 1 1 A 26 26 ASP H H 26 7.942 8.438 -0.496 1
1 274 . 1 1 1 A 26 26 ASP HA H 26 4.466 4.656 -0.190 1
1 277 . 1 1 1 A 26 26 ASP C C 26 175.258 177.282 -2.024 1
1 278 . 1 1 1 A 26 26 ASP CA C 26 53.318 54.380 -1.062 1
1 279 . 1 1 1 A 26 26 ASP CB C 26 42.461 42.429 0.032 1
1 280 . 1 1 1 A 26 26 ASP N N 26 125.573 126.521 -0.948 1
1 281 . 1 1 1 A 27 27 HIS H H 27 8.115 8.913 -0.798 1
1 282 . 1 1 1 A 27 27 HIS HA H 27 4.222 4.106 0.116 1
1 286 . 1 1 1 A 27 27 HIS C C 27 177.268 176.493 0.775 1
1 287 . 1 1 1 A 27 27 HIS CA C 27 59.164 58.738 0.426 1
1 288 . 1 1 1 A 27 27 HIS CB C 27 30.374 29.214 1.160 1
1 290 . 1 1 1 A 27 27 HIS N N 27 117.576 123.593 -6.017 1
1 291 . 1 1 1 A 28 28 ARG H H 28 8.724 8.186 0.538 1
1 292 . 1 1 1 A 28 28 ARG HA H 28 4.210 3.701 0.509 1
1 300 . 1 1 1 A 28 28 ARG C C 28 177.838 179.208 -1.370 1
1 301 . 1 1 1 A 28 28 ARG CA C 28 58.199 59.314 -1.115 1
1 302 . 1 1 1 A 28 28 ARG CB C 28 29.815 29.484 0.331 1
1 305 . 1 1 1 A 28 28 ARG N N 28 122.414 120.629 1.785 1
1 307 . 1 1 1 A 29 29 CYS H H 29 8.102 8.269 -0.167 1
1 308 . 1 1 1 A 29 29 CYS HA H 29 3.124 3.172 -0.048 1
1 311 . 1 1 1 A 29 29 CYS C C 29 175.551 177.042 -1.491 1
1 312 . 1 1 1 A 29 29 CYS CA C 29 59.988 60.968 -0.980 1
1 313 . 1 1 1 A 29 29 CYS CB C 29 25.101 26.162 -1.061 1
1 314 . 1 1 1 A 29 29 CYS N N 29 119.987 117.466 2.521 1
1 315 . 1 1 1 A 30 30 VAL H H 30 7.139 7.117 0.022 1
1 316 . 1 1 1 A 30 30 VAL HA H 30 3.373 3.641 -0.268 1
1 324 . 1 1 1 A 30 30 VAL C C 30 178.225 178.003 0.222 1
1 325 . 1 1 1 A 30 30 VAL CA C 30 65.903 64.546 1.357 1
1 326 . 1 1 1 A 30 30 VAL CB C 30 31.446 31.524 -0.078 1
1 329 . 1 1 1 A 30 30 VAL N N 30 125.016 119.297 5.719 1
1 330 . 1 1 1 A 31 31 ALA H H 31 7.393 7.770 -0.377 1
1 331 . 1 1 1 A 31 31 ALA HA H 31 4.126 4.093 0.033 1
1 335 . 1 1 1 A 31 31 ALA C C 31 178.111 179.716 -1.605 1
1 336 . 1 1 1 A 31 31 ALA CA C 31 53.715 54.422 -0.707 1
1 337 . 1 1 1 A 31 31 ALA CB C 31 19.223 18.484 0.739 1
1 338 . 1 1 1 A 31 31 ALA N N 31 120.554 124.088 -3.534 1
1 339 . 1 1 1 A 32 32 THR H H 32 7.253 7.747 -0.494 1
1 340 . 1 1 1 A 32 32 THR HA H 32 4.116 4.067 0.049 1
1 345 . 1 1 1 A 32 32 THR C C 32 175.655 175.999 -0.344 1
1 346 . 1 1 1 A 32 32 THR CA C 32 64.727 65.366 -0.639 1
1 347 . 1 1 1 A 32 32 THR CB C 32 69.144 69.372 -0.228 1
1 349 . 1 1 1 A 32 32 THR N N 32 109.150 113.581 -4.431 1
1 350 . 1 1 1 A 33 33 VAL H H 33 7.939 7.679 0.260 1
1 351 . 1 1 1 A 33 33 VAL HA H 33 4.504 4.656 -0.152 1
1 359 . 1 1 1 A 33 33 VAL C C 33 175.594 176.249 -0.655 1
1 360 . 1 1 1 A 33 33 VAL CA C 33 60.596 60.468 0.128 1
1 361 . 1 1 1 A 33 33 VAL CB C 33 34.900 31.373 3.527 1
1 364 . 1 1 1 A 33 33 VAL N N 33 108.519 113.167 -4.648 1
1 365 . 1 1 1 A 34 34 GLY H H 34 7.439 7.799 -0.360 1
1 366 . 1 1 1 A 34 34 GLY HA2 H 34 4.099 3.692 0.407 1
1 367 . 1 1 1 A 34 34 GLY HA3 H 34 3.846 3.793 0.053 1
1 368 . 1 1 1 A 34 34 GLY C C 34 173.655 173.477 0.178 1
1 369 . 1 1 1 A 34 34 GLY CA C 34 46.538 45.452 1.086 1
1 370 . 1 1 1 A 34 34 GLY N N 34 109.672 110.042 -0.370 1
1 371 . 1 1 1 A 35 35 TYR H H 35 6.215 7.582 -1.367 1
1 372 . 1 1 1 A 35 35 TYR HA H 35 4.415 4.882 -0.467 1
1 379 . 1 1 1 A 35 35 TYR C C 35 174.492 175.352 -0.860 1
1 380 . 1 1 1 A 35 35 TYR CA C 35 57.289 58.876 -1.587 1
1 381 . 1 1 1 A 35 35 TYR CB C 35 40.784 38.130 2.654 1
1 386 . 1 1 1 A 35 35 TYR N N 35 117.067 119.980 -2.913 1
1 387 . 1 1 1 A 36 36 GLN H H 36 9.145 8.497 0.648 1
1 388 . 1 1 1 A 36 36 GLN HA H 36 4.285 4.261 0.024 1
1 393 . 1 1 1 A 36 36 GLN CA C 36 53.760 54.596 -0.836 1
1 394 . 1 1 1 A 36 36 GLN CB C 36 27.558 28.452 -0.894 1
1 396 . 1 1 1 A 36 36 GLN N N 36 117.664 124.188 -6.524 1
1 397 . 1 1 1 A 37 37 PRO HA H 37 3.755 4.023 -0.268 1
1 404 . 1 1 1 A 37 37 PRO C C 37 178.629 178.212 0.417 1
1 405 . 1 1 1 A 37 37 PRO CA C 37 66.415 65.765 0.650 1
1 406 . 1 1 1 A 37 37 PRO CB C 37 31.313 31.696 -0.383 1
1 409 . 1 1 1 A 38 38 GLN H H 38 8.870 8.810 0.060 1
1 410 . 1 1 1 A 38 38 GLN HA H 38 3.996 4.075 -0.079 1
1 415 . 1 1 1 A 38 38 GLN C C 38 177.121 177.446 -0.325 1
1 416 . 1 1 1 A 38 38 GLN CA C 38 58.468 58.337 0.131 1
1 417 . 1 1 1 A 38 38 GLN CB C 38 27.259 27.564 -0.305 1
1 419 . 1 1 1 A 38 38 GLN N N 38 113.031 115.329 -2.298 1
1 420 . 1 1 1 A 39 39 GLU H H 39 7.799 7.817 -0.018 1
1 421 . 1 1 1 A 39 39 GLU HA H 39 4.203 4.247 -0.044 1
1 426 . 1 1 1 A 39 39 GLU C C 39 175.485 177.500 -2.015 1
1 427 . 1 1 1 A 39 39 GLU CA C 39 57.598 58.393 -0.795 1
1 428 . 1 1 1 A 39 39 GLU CB C 39 30.955 29.678 1.277 1
1 430 . 1 1 1 A 39 39 GLU N N 39 117.366 119.588 -2.222 1
1 431 . 1 1 1 A 40 40 LEU H H 40 7.001 7.306 -0.305 1
1 432 . 1 1 1 A 40 40 LEU HA H 40 4.205 4.509 -0.304 1
1 442 . 1 1 1 A 40 40 LEU C C 40 176.417 177.277 -0.860 1
1 443 . 1 1 1 A 40 40 LEU CA C 40 55.345 55.585 -0.240 1
1 444 . 1 1 1 A 40 40 LEU CB C 40 43.190 43.616 -0.426 1
1 448 . 1 1 1 A 40 40 LEU N N 40 116.615 118.394 -1.779 1
1 449 . 1 1 1 A 41 41 LEU H H 41 7.521 7.934 -0.413 1
1 450 . 1 1 1 A 41 41 LEU HA H 41 3.678 4.285 -0.607 1
1 460 . 1 1 1 A 41 41 LEU C C 41 177.754 177.962 -0.208 1
1 461 . 1 1 1 A 41 41 LEU CA C 41 57.050 57.240 -0.190 1
1 462 . 1 1 1 A 41 41 LEU CB C 41 42.155 41.629 0.526 1
1 466 . 1 1 1 A 41 41 LEU N N 41 117.814 121.187 -3.373 1
1 467 . 1 1 1 A 42 42 GLY H H 42 8.535 9.293 -0.758 1
1 468 . 1 1 1 A 42 42 GLY HA2 H 42 4.328 4.001 0.327 1
1 469 . 1 1 1 A 42 42 GLY HA3 H 42 3.601 4.001 -0.400 1
1 470 . 1 1 1 A 42 42 GLY C C 42 173.808 173.733 0.075 1
1 471 . 1 1 1 A 42 42 GLY CA C 42 45.689 45.378 0.311 1
1 472 . 1 1 1 A 42 42 GLY N N 42 110.496 111.986 -1.490 1
1 473 . 1 1 1 A 43 43 LYS H H 43 8.398 8.158 0.240 1
1 474 . 1 1 1 A 43 43 LYS HA H 43 4.680 4.635 0.045 1
1 483 . 1 1 1 A 43 43 LYS C C 43 173.943 175.338 -1.395 1
1 484 . 1 1 1 A 43 43 LYS CA C 43 54.361 54.491 -0.130 1
1 485 . 1 1 1 A 43 43 LYS CB C 43 33.960 34.438 -0.478 1
1 489 . 1 1 1 A 43 43 LYS N N 43 120.461 120.685 -0.224 1
1 490 . 1 1 1 A 44 44 ASN H H 44 8.892 8.276 0.616 1
1 491 . 1 1 1 A 44 44 ASN HA H 44 4.690 4.634 0.056 1
1 496 . 1 1 1 A 44 44 ASN C C 44 176.922 175.596 1.326 1
1 497 . 1 1 1 A 44 44 ASN CA C 44 52.256 53.161 -0.905 1
1 498 . 1 1 1 A 44 44 ASN CB C 44 40.451 39.474 0.977 1
1 499 . 1 1 1 A 44 44 ASN N N 44 119.869 121.678 -1.809 1
1 501 . 1 1 1 A 45 45 ILE H H 45 8.543 8.265 0.278 1
1 502 . 1 1 1 A 45 45 ILE HA H 45 3.887 3.659 0.228 1
1 511 . 1 1 1 A 45 45 ILE C C 45 176.137 177.029 -0.892 1
1 512 . 1 1 1 A 45 45 ILE CA C 45 65.116 64.120 0.996 1
1 513 . 1 1 1 A 45 45 ILE CB C 45 36.637 37.390 -0.753 1
1 517 . 1 1 1 A 45 45 ILE N N 45 129.131 127.442 1.689 1
1 518 . 1 1 1 A 46 46 VAL H H 46 9.059 7.362 1.697 1
1 519 . 1 1 1 A 46 46 VAL HA H 46 3.439 3.751 -0.312 1
1 527 . 1 1 1 A 46 46 VAL C C 46 178.407 178.169 0.238 1
1 528 . 1 1 1 A 46 46 VAL CA C 46 65.705 65.364 0.341 1
1 529 . 1 1 1 A 46 46 VAL CB C 46 31.022 31.149 -0.127 1
1 532 . 1 1 1 A 46 46 VAL N N 46 118.981 117.655 1.326 1
1 533 . 1 1 1 A 47 47 GLU H H 47 7.923 8.374 -0.451 1
1 534 . 1 1 1 A 47 47 GLU HA H 47 3.989 3.916 0.073 1
1 539 . 1 1 1 A 47 47 GLU C C 47 177.664 178.498 -0.834 1
1 540 . 1 1 1 A 47 47 GLU CA C 47 57.999 59.027 -1.028 1
1 541 . 1 1 1 A 47 47 GLU CB C 47 28.849 28.952 -0.103 1
1 543 . 1 1 1 A 47 47 GLU N N 47 117.733 121.570 -3.837 1
1 544 . 1 1 1 A 48 48 PHE H H 48 7.689 7.450 0.239 1
1 545 . 1 1 1 A 48 48 PHE HA H 48 4.177 4.253 -0.076 1
1 553 . 1 1 1 A 48 48 PHE C C 48 172.739 175.853 -3.114 1
1 554 . 1 1 1 A 48 48 PHE CA C 48 57.725 59.579 -1.854 1
1 555 . 1 1 1 A 48 48 PHE CB C 48 39.428 39.446 -0.018 1
1 561 . 1 1 1 A 48 48 PHE N N 48 117.768 115.186 2.582 1
1 562 . 1 1 1 A 49 49 CYS H H 49 7.413 7.365 0.048 1
1 563 . 1 1 1 A 49 49 CYS HA H 49 5.671 5.024 0.647 1
1 566 . 1 1 1 A 49 49 CYS CA C 49 56.429 60.095 -3.666 1
1 567 . 1 1 1 A 49 49 CYS CB C 49 28.747 28.155 0.592 1
1 568 . 1 1 1 A 49 49 CYS N N 49 119.705 118.179 1.526 1
1 569 . 1 1 1 A 50 50 HIS H H 50 8.640 8.527 0.113 1
1 570 . 1 1 1 A 50 50 HIS HA H 50 3.655 4.023 -0.368 1
1 574 . 1 1 1 A 50 50 HIS CA C 50 56.934 54.810 2.124 1
1 575 . 1 1 1 A 50 50 HIS CB C 50 32.071 30.242 1.829 1
1 577 . 1 1 1 A 50 50 HIS N N 50 134.180 124.819 9.361 1
1 578 . 1 1 1 A 51 51 PRO HA H 51 4.044 4.164 -0.120 1
1 584 . 1 1 1 A 51 51 PRO C C 51 179.121 178.922 0.199 1
1 585 . 1 1 1 A 51 51 PRO CA C 51 65.989 66.099 -0.110 1
1 586 . 1 1 1 A 51 51 PRO CB C 51 32.605 31.577 1.028 1
1 589 . 1 1 1 A 52 52 GLU H H 52 10.986 8.922 2.064 1
1 590 . 1 1 1 A 52 52 GLU HA H 52 4.125 4.116 0.009 1
1 595 . 1 1 1 A 52 52 GLU C C 52 177.643 177.238 0.405 1
1 596 . 1 1 1 A 52 52 GLU CA C 52 58.522 58.955 -0.433 1
1 597 . 1 1 1 A 52 52 GLU CB C 52 29.347 28.888 0.459 1
1 599 . 1 1 1 A 52 52 GLU N N 52 119.351 117.757 1.594 1
1 600 . 1 1 1 A 53 53 ASP H H 53 8.203 8.133 0.070 1
1 601 . 1 1 1 A 53 53 ASP HA H 53 4.898 4.627 0.271 1
1 604 . 1 1 1 A 53 53 ASP C C 53 175.641 177.206 -1.565 1
1 605 . 1 1 1 A 53 53 ASP CA C 53 54.092 54.666 -0.574 1
1 606 . 1 1 1 A 53 53 ASP CB C 53 43.596 41.755 1.841 1
1 607 . 1 1 1 A 53 53 ASP N N 53 117.757 117.777 -0.020 1
1 608 . 1 1 1 A 54 54 GLN H H 54 6.922 7.962 -1.040 1
1 609 . 1 1 1 A 54 54 GLN HA H 54 3.985 3.981 0.004 1
1 616 . 1 1 1 A 54 54 GLN C C 54 177.417 178.501 -1.084 1
1 617 . 1 1 1 A 54 54 GLN CA C 54 60.084 58.831 1.253 1
1 618 . 1 1 1 A 54 54 GLN CB C 54 28.448 28.131 0.317 1
1 620 . 1 1 1 A 54 54 GLN N N 54 118.680 119.334 -0.654 1
1 622 . 1 1 1 A 55 55 GLN H H 55 8.663 7.925 0.738 1
1 623 . 1 1 1 A 55 55 GLN HA H 55 3.778 4.054 -0.276 1
1 630 . 1 1 1 A 55 55 GLN C C 55 177.398 178.107 -0.709 1
1 631 . 1 1 1 A 55 55 GLN CA C 55 58.812 58.555 0.257 1
1 632 . 1 1 1 A 55 55 GLN CB C 55 27.402 28.346 -0.944 1
1 634 . 1 1 1 A 55 55 GLN N N 55 119.173 119.972 -0.799 1
1 636 . 1 1 1 A 56 56 LEU H H 56 7.935 7.649 0.286 1
1 637 . 1 1 1 A 56 56 LEU HA H 56 4.071 4.084 -0.013 1
1 647 . 1 1 1 A 56 56 LEU C C 56 180.037 178.029 2.008 1
1 648 . 1 1 1 A 56 56 LEU CA C 56 57.698 57.412 0.286 1
1 649 . 1 1 1 A 56 56 LEU CB C 56 41.586 42.247 -0.661 1
1 653 . 1 1 1 A 56 56 LEU N N 56 119.661 120.668 -1.007 1
1 654 . 1 1 1 A 57 57 LEU H H 57 7.382 7.917 -0.535 1
1 655 . 1 1 1 A 57 57 LEU HA H 57 3.575 3.624 -0.049 1
1 665 . 1 1 1 A 57 57 LEU C C 57 178.470 178.206 0.264 1
1 666 . 1 1 1 A 57 57 LEU CA C 57 57.703 58.067 -0.364 1
1 667 . 1 1 1 A 57 57 LEU CB C 57 42.077 41.582 0.495 1
1 671 . 1 1 1 A 57 57 LEU N N 57 119.857 119.944 -0.087 1
1 672 . 1 1 1 A 58 58 ARG H H 58 8.118 8.501 -0.383 1
1 673 . 1 1 1 A 58 58 ARG HA H 58 3.338 3.864 -0.526 1
1 680 . 1 1 1 A 58 58 ARG C C 58 179.713 178.666 1.047 1
1 681 . 1 1 1 A 58 58 ARG CA C 58 60.120 59.584 0.536 1
1 682 . 1 1 1 A 58 58 ARG CB C 58 30.320 29.843 0.477 1
1 685 . 1 1 1 A 58 58 ARG N N 58 118.198 117.861 0.337 1
1 686 . 1 1 1 A 59 59 ASP H H 59 8.748 8.006 0.742 1
1 687 . 1 1 1 A 59 59 ASP HA H 59 4.336 4.274 0.062 1
1 690 . 1 1 1 A 59 59 ASP C C 59 179.130 177.998 1.132 1
1 691 . 1 1 1 A 59 59 ASP CA C 59 57.197 57.564 -0.367 1
1 692 . 1 1 1 A 59 59 ASP CB C 59 40.212 41.833 -1.621 1
1 693 . 1 1 1 A 59 59 ASP N N 59 119.165 119.853 -0.688 1
1 694 . 1 1 1 A 60 60 SER H H 60 7.552 8.193 -0.641 1
1 695 . 1 1 1 A 60 60 SER HA H 60 4.116 4.153 -0.037 1
1 698 . 1 1 1 A 60 60 SER C C 60 175.883 177.266 -1.383 1
1 699 . 1 1 1 A 60 60 SER CA C 60 61.975 61.249 0.726 1
1 700 . 1 1 1 A 60 60 SER CB C 60 63.098 61.844 1.254 1
1 701 . 1 1 1 A 60 60 SER N N 60 117.761 115.117 2.644 1
1 702 . 1 1 1 A 61 61 PHE H H 61 7.063 7.449 -0.386 1
1 703 . 1 1 1 A 61 61 PHE HA H 61 4.614 4.372 0.242 1
1 711 . 1 1 1 A 61 61 PHE C C 61 177.561 178.394 -0.833 1
1 712 . 1 1 1 A 61 61 PHE CA C 61 56.777 62.084 -5.307 1
1 713 . 1 1 1 A 61 61 PHE CB C 61 36.564 38.327 -1.763 1
1 719 . 1 1 1 A 61 61 PHE N N 61 122.009 119.108 2.901 1
1 720 . 1 1 1 A 62 62 GLN H H 62 7.376 8.397 -1.021 1
1 721 . 1 1 1 A 62 62 GLN HA H 62 4.038 4.013 0.025 1
1 726 . 1 1 1 A 62 62 GLN C C 62 179.093 178.814 0.279 1
1 727 . 1 1 1 A 62 62 GLN CA C 62 58.240 59.258 -1.018 1
1 728 . 1 1 1 A 62 62 GLN CB C 62 28.094 28.317 -0.223 1
1 730 . 1 1 1 A 62 62 GLN N N 62 114.929 118.594 -3.665 1
1 731 . 1 1 1 A 63 63 GLN H H 63 7.893 7.865 0.028 1
1 732 . 1 1 1 A 63 63 GLN HA H 63 4.083 4.192 -0.109 1
1 737 . 1 1 1 A 63 63 GLN C C 63 178.244 178.571 -0.327 1
1 738 . 1 1 1 A 63 63 GLN CA C 63 58.408 58.220 0.188 1
1 739 . 1 1 1 A 63 63 GLN CB C 63 28.755 28.663 0.092 1
1 741 . 1 1 1 A 63 63 GLN N N 63 117.434 120.079 -2.645 1
1 742 . 1 1 1 A 64 64 VAL H H 64 8.220 8.060 0.160 1
1 743 . 1 1 1 A 64 64 VAL HA H 64 3.663 4.040 -0.377 1
1 751 . 1 1 1 A 64 64 VAL C C 64 177.137 178.060 -0.923 1
1 752 . 1 1 1 A 64 64 VAL CA C 64 66.107 65.500 0.607 1
1 753 . 1 1 1 A 64 64 VAL CB C 64 31.475 31.620 -0.145 1
1 756 . 1 1 1 A 64 64 VAL N N 64 118.766 117.539 1.227 1
1 757 . 1 1 1 A 65 65 VAL H H 65 6.860 7.771 -0.911 1
1 758 . 1 1 1 A 65 65 VAL HA H 65 3.833 3.869 -0.036 1
1 766 . 1 1 1 A 65 65 VAL C C 65 177.624 177.997 -0.373 1
1 767 . 1 1 1 A 65 65 VAL CA C 65 64.200 64.923 -0.723 1
1 768 . 1 1 1 A 65 65 VAL CB C 65 31.730 31.673 0.057 1
1 771 . 1 1 1 A 65 65 VAL N N 65 112.590 122.421 -9.831 1
1 772 . 1 1 1 A 66 66 LYS H H 66 7.431 7.826 -0.395 1
1 773 . 1 1 1 A 66 66 LYS HA H 66 4.184 3.978 0.206 1
1 782 . 1 1 1 A 66 66 LYS C C 66 177.374 178.306 -0.932 1
1 783 . 1 1 1 A 66 66 LYS CA C 66 58.190 59.650 -1.460 1
1 784 . 1 1 1 A 66 66 LYS CB C 66 33.232 32.202 1.030 1
1 788 . 1 1 1 A 66 66 LYS N N 66 119.643 122.077 -2.434 1
1 789 . 1 1 1 A 67 67 LEU H H 67 7.859 8.161 -0.302 1
1 790 . 1 1 1 A 67 67 LEU HA H 67 4.552 4.303 0.249 1
1 800 . 1 1 1 A 67 67 LEU C C 67 175.532 175.874 -0.342 1
1 801 . 1 1 1 A 67 67 LEU CA C 67 53.108 55.430 -2.322 1
1 802 . 1 1 1 A 67 67 LEU CB C 67 40.979 41.716 -0.737 1
1 806 . 1 1 1 A 67 67 LEU N N 67 121.288 118.032 3.256 1
1 807 . 1 1 1 A 68 68 LYS H H 68 7.475 8.172 -0.697 1
1 808 . 1 1 1 A 68 68 LYS HA H 68 4.156 4.155 0.001 1
1 817 . 1 1 1 A 68 68 LYS C C 68 177.987 176.479 1.508 1
1 818 . 1 1 1 A 68 68 LYS CA C 68 58.388 57.270 1.118 1
1 819 . 1 1 1 A 68 68 LYS CB C 68 32.207 31.068 1.139 1
1 823 . 1 1 1 A 68 68 LYS N N 68 119.626 117.301 2.325 1
1 824 . 1 1 1 A 69 69 GLY H H 69 8.696 8.133 0.563 1
1 825 . 1 1 1 A 69 69 GLY HA2 H 69 4.294 4.054 0.240 1
1 826 . 1 1 1 A 69 69 GLY HA3 H 69 3.896 4.057 -0.161 1
1 827 . 1 1 1 A 69 69 GLY CA C 69 45.335 45.146 0.189 1
1 828 . 1 1 1 A 69 69 GLY N N 69 113.681 105.599 8.082 1
1 829 . 1 1 1 A 70 70 GLN H H 70 8.031 7.928 0.103 1
1 830 . 1 1 1 A 70 70 GLN HA H 70 4.508 4.271 0.237 1
1 835 . 1 1 1 A 70 70 GLN C C 70 174.684 175.649 -0.965 1
1 836 . 1 1 1 A 70 70 GLN CA C 70 55.347 56.368 -1.021 1
1 837 . 1 1 1 A 70 70 GLN CB C 70 30.111 29.343 0.768 1
1 839 . 1 1 1 A 70 70 GLN N N 70 119.949 121.809 -1.860 1
1 840 . 1 1 1 A 71 71 VAL H H 71 8.232 8.642 -0.410 1
1 841 . 1 1 1 A 71 71 VAL HA H 71 4.822 4.781 0.041 1
1 849 . 1 1 1 A 71 71 VAL C C 71 176.406 175.391 1.015 1
1 850 . 1 1 1 A 71 71 VAL CA C 71 61.198 62.127 -0.929 1
1 851 . 1 1 1 A 71 71 VAL CB C 71 32.964 32.382 0.582 1
1 854 . 1 1 1 A 71 71 VAL N N 71 121.816 126.296 -4.480 1
1 855 . 1 1 1 A 72 72 LEU H H 72 9.052 8.955 0.097 1
1 856 . 1 1 1 A 72 72 LEU HA H 72 4.827 5.229 -0.402 1
1 865 . 1 1 1 A 72 72 LEU C C 72 175.411 175.579 -0.168 1
1 866 . 1 1 1 A 72 72 LEU CA C 72 52.895 53.578 -0.683 1
1 867 . 1 1 1 A 72 72 LEU CB C 72 44.755 45.477 -0.722 1
1 870 . 1 1 1 A 72 72 LEU N N 72 130.331 127.484 2.847 1
1 871 . 1 1 1 A 73 73 SER H H 73 8.057 8.969 -0.912 1
1 872 . 1 1 1 A 73 73 SER HA H 73 5.211 5.773 -0.562 1
1 875 . 1 1 1 A 73 73 SER C C 73 174.562 173.016 1.546 1
1 876 . 1 1 1 A 73 73 SER CA C 73 56.591 56.711 -0.120 1
1 877 . 1 1 1 A 73 73 SER CB C 73 66.336 65.038 1.298 1
1 878 . 1 1 1 A 73 73 SER N N 73 113.040 118.452 -5.412 1
1 879 . 1 1 1 A 74 74 VAL H H 74 8.799 8.710 0.089 1
1 880 . 1 1 1 A 74 74 VAL HA H 74 4.705 5.000 -0.295 1
1 888 . 1 1 1 A 74 74 VAL C C 74 174.122 174.001 0.121 1
1 889 . 1 1 1 A 74 74 VAL CA C 74 59.403 59.533 -0.130 1
1 890 . 1 1 1 A 74 74 VAL CB C 74 35.474 35.860 -0.386 1
1 893 . 1 1 1 A 74 74 VAL N N 74 122.721 121.964 0.757 1
1 894 . 1 1 1 A 75 75 MET H H 75 8.195 8.800 -0.605 1
1 895 . 1 1 1 A 75 75 MET HA H 75 5.922 6.088 -0.166 1
1 903 . 1 1 1 A 75 75 MET C C 75 175.531 175.692 -0.161 1
1 904 . 1 1 1 A 75 75 MET CA C 75 54.021 53.994 0.027 1
1 905 . 1 1 1 A 75 75 MET CB C 75 34.750 34.111 0.639 1
1 908 . 1 1 1 A 75 75 MET N N 75 120.057 123.696 -3.639 1
1 909 . 1 1 1 A 76 76 PHE H H 76 9.394 9.110 0.284 1
1 910 . 1 1 1 A 76 76 PHE HA H 76 5.004 5.124 -0.120 1
1 918 . 1 1 1 A 76 76 PHE C C 76 171.623 172.440 -0.817 1
1 919 . 1 1 1 A 76 76 PHE CA C 76 55.802 55.451 0.351 1
1 920 . 1 1 1 A 76 76 PHE CB C 76 42.072 42.056 0.016 1
1 926 . 1 1 1 A 76 76 PHE N N 76 120.244 120.174 0.070 1
1 927 . 1 1 1 A 77 77 ARG H H 77 8.783 8.267 0.516 1
1 928 . 1 1 1 A 77 77 ARG HA H 77 4.420 4.185 0.235 1
1 936 . 1 1 1 A 77 77 ARG C C 77 173.455 174.571 -1.116 1
1 937 . 1 1 1 A 77 77 ARG CA C 77 54.218 55.002 -0.784 1
1 938 . 1 1 1 A 77 77 ARG CB C 77 32.439 30.158 2.281 1
1 941 . 1 1 1 A 77 77 ARG N N 77 121.379 118.838 2.541 1
1 943 . 1 1 1 A 78 78 PHE H H 78 9.258 9.175 0.083 1
1 944 . 1 1 1 A 78 78 PHE HA H 78 5.438 5.133 0.305 1
1 952 . 1 1 1 A 78 78 PHE C C 78 175.873 174.511 1.362 1
1 953 . 1 1 1 A 78 78 PHE CA C 78 55.173 56.816 -1.643 1
1 954 . 1 1 1 A 78 78 PHE CB C 78 44.530 39.735 4.795 1
1 960 . 1 1 1 A 78 78 PHE N N 78 128.097 126.304 1.793 1
1 961 . 1 1 1 A 79 79 ARG H H 79 9.242 8.873 0.369 1
1 962 . 1 1 1 A 79 79 ARG HA H 79 4.201 4.647 -0.446 1
1 969 . 1 1 1 A 79 79 ARG C C 79 175.316 176.367 -1.051 1
1 970 . 1 1 1 A 79 79 ARG CA C 79 55.255 56.594 -1.339 1
1 971 . 1 1 1 A 79 79 ARG CB C 79 29.358 30.431 -1.073 1
1 974 . 1 1 1 A 79 79 ARG N N 79 129.898 130.475 -0.577 1
1 975 . 1 1 1 A 80 80 SER H H 80 9.253 8.746 0.507 1
1 976 . 1 1 1 A 80 80 SER HA H 80 4.772 5.085 -0.313 1
1 979 . 1 1 1 A 80 80 SER C C 80 174.983 175.818 -0.835 1
1 980 . 1 1 1 A 80 80 SER CA C 80 58.191 58.255 -0.064 1
1 981 . 1 1 1 A 80 80 SER CB C 80 64.930 64.596 0.334 1
1 982 . 1 1 1 A 80 80 SER N N 80 128.002 124.076 3.926 1
1 983 . 1 1 1 A 81 81 LYS H H 81 8.065 8.890 -0.825 1
1 984 . 1 1 1 A 81 81 LYS HA H 81 3.675 3.556 0.119 1
1 993 . 1 1 1 A 81 81 LYS C C 81 177.417 177.816 -0.399 1
1 994 . 1 1 1 A 81 81 LYS CA C 81 59.236 58.937 0.299 1
1 995 . 1 1 1 A 81 81 LYS CB C 81 31.641 31.882 -0.241 1
1 999 . 1 1 1 A 81 81 LYS N N 81 123.505 123.714 -0.209 1
1 1000 . 1 1 1 A 82 82 ASN H H 82 7.934 7.806 0.128 1
1 1001 . 1 1 1 A 82 82 ASN HA H 82 4.679 4.752 -0.073 1
1 1006 . 1 1 1 A 82 82 ASN C C 82 173.949 174.237 -0.288 1
1 1007 . 1 1 1 A 82 82 ASN CA C 82 52.764 52.780 -0.016 1
1 1008 . 1 1 1 A 82 82 ASN CB C 82 37.428 38.496 -1.068 1
1 1009 . 1 1 1 A 82 82 ASN N N 82 115.202 114.274 0.928 1
1 1011 . 1 1 1 A 83 83 GLN H H 83 8.099 8.180 -0.081 1
1 1012 . 1 1 1 A 83 83 GLN HA H 83 3.382 3.767 -0.385 1
1 1019 . 1 1 1 A 83 83 GLN C C 83 174.208 173.914 0.294 1
1 1020 . 1 1 1 A 83 83 GLN CA C 83 56.400 56.825 -0.425 1
1 1021 . 1 1 1 A 83 83 GLN CB C 83 25.003 26.143 -1.140 1
1 1023 . 1 1 1 A 83 83 GLN N N 83 112.357 115.825 -3.468 1
1 1025 . 1 1 1 A 84 84 GLU H H 84 7.385 7.587 -0.202 1
1 1026 . 1 1 1 A 84 84 GLU HA H 84 4.322 4.696 -0.374 1
1 1031 . 1 1 1 A 84 84 GLU CA C 84 54.720 54.692 0.028 1
1 1032 . 1 1 1 A 84 84 GLU CB C 84 31.713 32.646 -0.933 1
1 1034 . 1 1 1 A 84 84 GLU N N 84 117.557 116.620 0.937 1
1 1035 . 1 1 1 A 85 85 TRP H H 85 8.645 8.713 -0.068 1
1 1036 . 1 1 1 A 85 85 TRP HA H 85 5.145 4.788 0.357 1
1 1045 . 1 1 1 A 85 85 TRP C C 85 175.772 175.742 0.030 1
1 1046 . 1 1 1 A 85 85 TRP CA C 85 55.591 57.223 -1.632 1
1 1047 . 1 1 1 A 85 85 TRP CB C 85 30.113 28.169 1.944 1
1 1053 . 1 1 1 A 85 85 TRP N N 85 121.388 123.272 -1.884 1
1 1055 . 1 1 1 A 86 86 LEU H H 86 9.348 8.865 0.483 1
1 1056 . 1 1 1 A 86 86 LEU HA H 86 4.847 4.820 0.027 1
1 1066 . 1 1 1 A 86 86 LEU C C 86 176.991 176.302 0.689 1
1 1067 . 1 1 1 A 86 86 LEU CA C 86 53.102 54.249 -1.147 1
1 1068 . 1 1 1 A 86 86 LEU CB C 86 44.527 41.445 3.082 1
1 1071 . 1 1 1 A 86 86 LEU N N 86 126.537 125.964 0.573 1
1 1072 . 1 1 1 A 87 87 TRP H H 87 8.870 8.898 -0.028 1
1 1073 . 1 1 1 A 87 87 TRP HA H 87 4.465 5.009 -0.544 1
1 1082 . 1 1 1 A 87 87 TRP C C 87 175.731 176.936 -1.205 1
1 1083 . 1 1 1 A 87 87 TRP CA C 87 59.207 58.566 0.641 1
1 1084 . 1 1 1 A 87 87 TRP CB C 87 29.736 30.342 -0.606 1
1 1090 . 1 1 1 A 87 87 TRP N N 87 123.902 126.814 -2.912 1
1 1092 . 1 1 1 A 88 88 MET H H 88 9.432 9.099 0.333 1
1 1093 . 1 1 1 A 88 88 MET HA H 88 5.267 5.581 -0.314 1
1 1101 . 1 1 1 A 88 88 MET C C 88 174.713 174.178 0.535 1
1 1102 . 1 1 1 A 88 88 MET CA C 88 52.557 54.301 -1.744 1
1 1103 . 1 1 1 A 88 88 MET CB C 88 36.139 37.348 -1.209 1
1 1106 . 1 1 1 A 88 88 MET N N 88 123.412 121.371 2.041 1
1 1107 . 1 1 1 A 89 89 ARG H H 89 9.282 8.972 0.310 1
1 1108 . 1 1 1 A 89 89 ARG HA H 89 5.702 5.184 0.518 1
1 1115 . 1 1 1 A 89 89 ARG C C 89 177.137 175.720 1.417 1
1 1116 . 1 1 1 A 89 89 ARG CA C 89 54.266 54.712 -0.446 1
1 1117 . 1 1 1 A 89 89 ARG CB C 89 34.404 32.216 2.188 1
1 1120 . 1 1 1 A 89 89 ARG N N 89 119.570 120.867 -1.297 1
1 1121 . 1 1 1 A 90 90 THR H H 90 9.298 9.159 0.139 1
1 1122 . 1 1 1 A 90 90 THR HA H 90 5.625 5.268 0.357 1
1 1127 . 1 1 1 A 90 90 THR C C 90 176.787 174.279 2.508 1
1 1128 . 1 1 1 A 90 90 THR CA C 90 60.327 60.483 -0.156 1
1 1129 . 1 1 1 A 90 90 THR CB C 90 72.187 70.390 1.797 1
1 1131 . 1 1 1 A 90 90 THR N N 90 115.133 117.635 -2.502 1
1 1132 . 1 1 1 A 91 91 SER H H 91 8.194 8.741 -0.547 1
1 1133 . 1 1 1 A 91 91 SER HA H 91 4.860 5.215 -0.355 1
1 1136 . 1 1 1 A 91 91 SER C C 91 175.171 173.291 1.880 1
1 1137 . 1 1 1 A 91 91 SER CA C 91 59.224 57.301 1.923 1
1 1138 . 1 1 1 A 91 91 SER CB C 91 64.094 63.417 0.677 1
1 1139 . 1 1 1 A 91 91 SER N N 91 114.043 121.237 -7.194 1
1 1140 . 1 1 1 A 92 92 SER H H 92 9.864 8.108 1.756 1
1 1141 . 1 1 1 A 92 92 SER HA H 92 6.204 5.072 1.132 1
1 1144 . 1 1 1 A 92 92 SER C C 92 171.748 173.973 -2.225 1
1 1145 . 1 1 1 A 92 92 SER CA C 92 58.818 59.637 -0.819 1
1 1146 . 1 1 1 A 92 92 SER CB C 92 66.419 64.170 2.249 1
1 1147 . 1 1 1 A 92 92 SER N N 92 125.442 122.310 3.132 1
1 1148 . 1 1 1 A 93 93 GLN H H 93 8.873 8.755 0.118 1
1 1149 . 1 1 1 A 93 93 GLN HA H 93 5.048 5.071 -0.023 1
1 1156 . 1 1 1 A 93 93 GLN C C 93 174.145 174.637 -0.492 1
1 1157 . 1 1 1 A 93 93 GLN CA C 93 54.262 54.529 -0.267 1
1 1158 . 1 1 1 A 93 93 GLN CB C 93 33.131 32.488 0.643 1
1 1160 . 1 1 1 A 93 93 GLN N N 93 117.328 122.082 -4.754 1
1 1162 . 1 1 1 A 94 94 THR H H 94 8.846 8.657 0.189 1
1 1163 . 1 1 1 A 94 94 THR HA H 94 3.979 4.527 -0.548 1
1 1168 . 1 1 1 A 94 94 THR C C 94 174.677 174.619 0.058 1
1 1169 . 1 1 1 A 94 94 THR CA C 94 64.467 62.618 1.849 1
1 1170 . 1 1 1 A 94 94 THR CB C 94 68.894 69.123 -0.229 1
1 1172 . 1 1 1 A 94 94 THR N N 94 116.526 113.152 3.374 1
1 1173 . 1 1 1 A 95 95 ALA H H 95 8.188 8.599 -0.411 1
1 1174 . 1 1 1 A 95 95 ALA HA H 95 4.161 4.362 -0.201 1
1 1178 . 1 1 1 A 95 95 ALA C C 95 176.285 177.731 -1.446 1
1 1179 . 1 1 1 A 95 95 ALA CA C 95 51.847 52.287 -0.440 1
1 1180 . 1 1 1 A 95 95 ALA CB C 95 18.999 20.264 -1.265 1
1 1181 . 1 1 1 A 95 95 ALA N N 95 126.311 128.222 -1.911 1
1 1182 . 1 1 1 A 96 96 GLN H H 96 8.324 8.716 -0.392 1
1 1183 . 1 1 1 A 96 96 GLN HA H 96 4.175 4.307 -0.132 1
1 1190 . 1 1 1 A 96 96 GLN C C 96 176.230 175.576 0.654 1
1 1191 . 1 1 1 A 96 96 GLN CA C 96 54.621 57.709 -3.088 1
1 1192 . 1 1 1 A 96 96 GLN CB C 96 30.003 28.760 1.243 1
1 1194 . 1 1 1 A 96 96 GLN N N 96 116.920 119.157 -2.237 1
1 1196 . 1 1 1 A 97 97 ASN H H 97 8.512 7.759 0.753 1
1 1197 . 1 1 1 A 97 97 ASN HA H 97 4.436 4.851 -0.415 1
1 1200 . 1 1 1 A 97 97 ASN CA C 97 52.928 49.734 3.194 1
1 1201 . 1 1 1 A 97 97 ASN CB C 97 37.851 41.893 -4.042 1
1 1202 . 1 1 1 A 97 97 ASN N N 97 119.656 113.377 6.279 1
1 1203 . 1 1 1 A 98 98 PRO HA H 98 4.566 4.351 0.215 1
1 1210 . 1 1 1 A 98 98 PRO C C 98 175.164 176.060 -0.896 1
1 1211 . 1 1 1 A 98 98 PRO CA C 98 63.824 63.441 0.383 1
1 1212 . 1 1 1 A 98 98 PRO CB C 98 32.473 32.746 -0.273 1
1 1215 . 1 1 1 A 99 99 TYR H H 99 8.780 7.241 1.539 1
1 1216 . 1 1 1 A 99 99 TYR HA H 99 4.996 4.686 0.310 1
1 1223 . 1 1 1 A 99 99 TYR C C 99 176.421 176.305 0.116 1
1 1224 . 1 1 1 A 99 99 TYR CA C 99 55.837 57.984 -2.147 1
1 1225 . 1 1 1 A 99 99 TYR CB C 99 37.199 37.743 -0.544 1
1 1230 . 1 1 1 A 99 99 TYR N N 99 127.975 119.362 8.613 1
1 1231 . 1 1 1 A 100 100 SER H H 100 7.655 8.044 -0.389 1
1 1232 . 1 1 1 A 100 100 SER HA H 100 4.274 4.322 -0.048 1
1 1235 . 1 1 1 A 100 100 SER C C 100 174.144 176.941 -2.797 1
1 1236 . 1 1 1 A 100 100 SER CA C 100 60.567 61.497 -0.930 1
1 1237 . 1 1 1 A 100 100 SER CB C 100 63.266 62.935 0.331 1
1 1238 . 1 1 1 A 100 100 SER N N 100 113.164 117.461 -4.297 1
1 1239 . 1 1 1 A 101 101 ASP H H 101 8.736 8.204 0.532 1
1 1240 . 1 1 1 A 101 101 ASP HA H 101 4.688 4.524 0.164 1
1 1243 . 1 1 1 A 101 101 ASP C C 101 175.535 176.423 -0.888 1
1 1244 . 1 1 1 A 101 101 ASP CA C 101 54.103 55.735 -1.632 1
1 1245 . 1 1 1 A 101 101 ASP CB C 101 40.098 40.943 -0.845 1
1 1246 . 1 1 1 A 101 101 ASP N N 101 118.476 120.646 -2.170 1
1 1247 . 1 1 1 A 102 102 GLU H H 102 8.127 8.268 -0.141 1
1 1248 . 1 1 1 A 102 102 GLU HA H 102 4.448 4.711 -0.263 1
1 1253 . 1 1 1 A 102 102 GLU CA C 102 54.963 55.369 -0.406 1
1 1254 . 1 1 1 A 102 102 GLU CB C 102 31.769 31.544 0.225 1
1 1256 . 1 1 1 A 102 102 GLU N N 102 119.744 118.460 1.284 1
1 1257 . 1 1 1 A 103 103 ILE H H 103 8.645 8.611 0.034 1
1 1258 . 1 1 1 A 103 103 ILE HA H 103 4.001 4.705 -0.704 1
1 1268 . 1 1 1 A 103 103 ILE C C 103 174.065 174.587 -0.522 1
1 1269 . 1 1 1 A 103 103 ILE CA C 103 60.418 60.817 -0.399 1
1 1270 . 1 1 1 A 103 103 ILE CB C 103 40.781 40.767 0.014 1
1 1274 . 1 1 1 A 103 103 ILE N N 103 121.388 120.755 0.633 1
1 1275 . 1 1 1 A 104 104 GLU H H 104 8.957 9.081 -0.124 1
1 1276 . 1 1 1 A 104 104 GLU HA H 104 5.099 4.558 0.541 1
1 1281 . 1 1 1 A 104 104 GLU C C 104 175.093 175.251 -0.158 1
1 1282 . 1 1 1 A 104 104 GLU CA C 104 54.898 56.388 -1.490 1
1 1283 . 1 1 1 A 104 104 GLU CB C 104 32.330 30.023 2.307 1
1 1285 . 1 1 1 A 104 104 GLU N N 104 125.935 128.468 -2.533 1
1 1286 . 1 1 1 A 105 105 THR H H 105 8.774 8.806 -0.032 1
1 1287 . 1 1 1 A 105 105 THR HA H 105 5.226 4.914 0.312 1
1 1292 . 1 1 1 A 105 105 THR C C 105 174.876 173.706 1.170 1
1 1293 . 1 1 1 A 105 105 THR CA C 105 61.469 62.208 -0.739 1
1 1294 . 1 1 1 A 105 105 THR CB C 105 70.382 69.987 0.395 1
1 1296 . 1 1 1 A 105 105 THR N N 105 127.200 121.382 5.818 1
1 1297 . 1 1 1 A 106 106 ILE H H 106 9.186 8.927 0.259 1
1 1298 . 1 1 1 A 106 106 ILE HA H 106 4.486 4.593 -0.107 1
1 1308 . 1 1 1 A 106 106 ILE C C 106 175.412 175.246 0.166 1
1 1309 . 1 1 1 A 106 106 ILE CA C 106 61.423 60.638 0.785 1
1 1310 . 1 1 1 A 106 106 ILE CB C 106 38.432 37.475 0.957 1
1 1313 . 1 1 1 A 106 106 ILE N N 106 107.991 128.138 -20.147 1
1 1314 . 1 1 1 A 107 107 ILE H H 107 8.431 8.204 0.227 1
1 1315 . 1 1 1 A 107 107 ILE HA H 107 4.239 4.428 -0.189 1
1 1325 . 1 1 1 A 107 107 ILE C C 107 173.805 174.672 -0.867 1
1 1326 . 1 1 1 A 107 107 ILE CA C 107 61.459 60.773 0.686 1
1 1327 . 1 1 1 A 107 107 ILE CB C 107 37.499 36.951 0.548 1
1 1331 . 1 1 1 A 107 107 ILE N N 107 129.202 128.442 0.760 1
1 1332 . 1 1 1 A 108 108 CYS H H 108 8.581 9.188 -0.607 1
1 1333 . 1 1 1 A 108 108 CYS HA H 108 5.298 5.049 0.249 1
1 1336 . 1 1 1 A 108 108 CYS C C 108 174.235 173.968 0.267 1
1 1337 . 1 1 1 A 108 108 CYS CA C 108 55.861 56.949 -1.088 1
1 1338 . 1 1 1 A 108 108 CYS CB C 108 31.110 30.750 0.360 1
1 1339 . 1 1 1 A 108 108 CYS N N 108 124.561 127.965 -3.404 1
1 1340 . 1 1 1 A 109 109 THR H H 109 8.701 8.877 -0.176 1
1 1341 . 1 1 1 A 109 109 THR HA H 109 4.733 4.479 0.254 1
1 1346 . 1 1 1 A 109 109 THR C C 109 174.927 173.795 1.132 1
1 1347 . 1 1 1 A 109 109 THR CA C 109 63.466 62.347 1.119 1
1 1348 . 1 1 1 A 109 109 THR CB C 109 69.636 69.603 0.033 1
1 1350 . 1 1 1 A 109 109 THR N N 109 119.017 118.418 0.599 1
1 1351 . 1 1 1 A 110 110 ASN H H 110 8.527 8.732 -0.205 1
1 1352 . 1 1 1 A 110 110 ASN HA H 110 4.891 4.933 -0.042 1
1 1357 . 1 1 1 A 110 110 ASN C C 110 174.829 174.731 0.098 1
1 1358 . 1 1 1 A 110 110 ASN CA C 110 53.104 51.196 1.908 1
1 1359 . 1 1 1 A 110 110 ASN CB C 110 39.813 40.536 -0.723 1
1 1360 . 1 1 1 A 110 110 ASN N N 110 122.861 122.478 0.383 1
1 1362 . 1 1 1 A 111 111 THR H H 111 8.159 8.587 -0.428 1
1 1363 . 1 1 1 A 111 111 THR HA H 111 4.407 4.271 0.136 1
1 1368 . 1 1 1 A 111 111 THR C C 111 174.189 173.283 0.906 1
1 1369 . 1 1 1 A 111 111 THR CA C 111 61.900 62.051 -0.151 1
1 1370 . 1 1 1 A 111 111 THR CB C 111 69.400 68.775 0.625 1
1 1372 . 1 1 1 A 111 111 THR N N 111 114.879 115.207 -0.328 1
1 1373 . 1 1 1 A 112 112 ASN H H 112 8.359 8.608 -0.249 1
1 1374 . 1 1 1 A 112 112 ASN N N 112 121.000 121.004 -0.004 1
1 1375 . 1 1 1 A 117 117 SER C C 117 174.242 172.786 1.456 1
1 1376 . 1 1 1 A 117 117 SER CA C 117 58.557 58.861 -0.304 1
1 1377 . 1 1 1 A 117 117 SER CB C 117 63.729 63.715 0.014 1
1 1378 . 1 1 1 A 118 118 GLN H H 118 8.304 7.688 0.616 1
1 1379 . 1 1 1 A 118 118 GLN C C 118 174.889 175.468 -0.579 1
1 1380 . 1 1 1 A 118 118 GLN CA C 118 55.764 54.311 1.453 1
1 1381 . 1 1 1 A 118 118 GLN CB C 118 29.659 31.157 -1.498 1
1 1382 . 1 1 1 A 118 118 GLN N N 118 122.171 119.604 2.567 1
1 1 . 2 1 1 A 2 2 ALA HA H 2 4.298 4.202 0.096 1
1 5 . 2 1 1 A 2 2 ALA CA C 2 53.448 52.561 0.887 1
1 6 . 2 1 1 A 2 2 ALA CB C 2 19.236 19.686 -0.450 1
1 7 . 2 1 1 A 3 3 MET H H 3 8.518 8.081 0.437 1
1 12 . 2 1 1 A 3 3 MET N N 3 117.762 115.467 2.295 1
1 13 . 2 1 1 A 4 4 ASP CA C 4 54.632 54.745 -0.113 1
1 14 . 2 1 1 A 4 4 ASP CB C 4 41.102 39.031 2.071 1
1 15 . 2 1 1 A 5 5 ASN H H 5 8.332 8.066 0.266 1
1 18 . 2 1 1 A 5 5 ASN CA C 5 53.361 56.277 -2.916 1
1 19 . 2 1 1 A 5 5 ASN CB C 5 38.775 39.000 -0.225 1
1 20 . 2 1 1 A 5 5 ASN N N 5 118.200 117.055 1.145 1
1 22 . 2 1 1 A 6 6 VAL H H 6 7.939 7.751 0.188 1
1 23 . 2 1 1 A 6 6 VAL HA H 6 4.142 4.619 -0.477 1
1 31 . 2 1 1 A 6 6 VAL CA C 6 62.634 59.774 2.860 1
1 32 . 2 1 1 A 6 6 VAL CB C 6 32.598 34.721 -2.123 1
1 35 . 2 1 1 A 6 6 VAL N N 6 120.396 115.371 5.025 1
1 36 . 2 1 1 A 7 7 CYS H H 7 8.304 8.521 -0.217 1
1 37 . 2 1 1 A 7 7 CYS CA C 7 56.095 62.392 -6.297 1
1 38 . 2 1 1 A 7 7 CYS CB C 7 32.967 27.624 5.343 1
1 39 . 2 1 1 A 7 7 CYS N N 7 124.774 124.125 0.649 1
1 40 . 2 1 1 A 9 9 PRO HA H 9 4.547 4.775 -0.228 1
1 46 . 2 1 1 A 9 9 PRO C C 9 176.493 175.742 0.751 1
1 47 . 2 1 1 A 9 9 PRO CA C 9 63.142 62.372 0.770 1
1 48 . 2 1 1 A 9 9 PRO CB C 9 32.554 33.238 -0.684 1
1 51 . 2 1 1 A 10 10 THR H H 10 8.368 8.810 -0.442 1
1 52 . 2 1 1 A 10 10 THR HA H 10 4.418 4.461 -0.043 1
1 57 . 2 1 1 A 10 10 THR C C 10 172.743 173.573 -0.830 1
1 58 . 2 1 1 A 10 10 THR CA C 10 61.197 62.856 -1.659 1
1 59 . 2 1 1 A 10 10 THR CB C 10 69.660 71.406 -1.746 1
1 61 . 2 1 1 A 10 10 THR N N 10 112.513 113.623 -1.110 1
1 62 . 2 1 1 A 11 11 GLU H H 11 7.813 7.920 -0.107 1
1 63 . 2 1 1 A 11 11 GLU HA H 11 5.549 5.113 0.436 1
1 68 . 2 1 1 A 11 11 GLU C C 11 173.062 174.071 -1.009 1
1 69 . 2 1 1 A 11 11 GLU CA C 11 53.855 55.532 -1.677 1
1 70 . 2 1 1 A 11 11 GLU CB C 11 33.820 32.787 1.033 1
1 72 . 2 1 1 A 11 11 GLU N N 11 119.491 116.415 3.076 1
1 73 . 2 1 1 A 12 12 PHE H H 12 8.198 8.804 -0.606 1
1 74 . 2 1 1 A 12 12 PHE HA H 12 5.014 5.735 -0.721 1
1 82 . 2 1 1 A 12 12 PHE C C 12 171.976 173.572 -1.596 1
1 83 . 2 1 1 A 12 12 PHE CA C 12 55.597 55.308 0.289 1
1 84 . 2 1 1 A 12 12 PHE CB C 12 42.384 42.112 0.272 1
1 90 . 2 1 1 A 12 12 PHE N N 12 111.146 117.387 -6.241 1
1 91 . 2 1 1 A 13 13 ILE H H 13 8.655 8.888 -0.233 1
1 92 . 2 1 1 A 13 13 ILE HA H 13 4.165 4.411 -0.246 1
1 102 . 2 1 1 A 13 13 ILE C C 13 173.432 174.900 -1.468 1
1 103 . 2 1 1 A 13 13 ILE CA C 13 62.270 61.940 0.330 1
1 104 . 2 1 1 A 13 13 ILE CB C 13 39.957 36.727 3.230 1
1 108 . 2 1 1 A 13 13 ILE N N 13 121.427 124.633 -3.206 1
1 109 . 2 1 1 A 14 14 SER H H 14 8.034 8.956 -0.922 1
1 110 . 2 1 1 A 14 14 SER HA H 14 5.588 5.125 0.463 1
1 113 . 2 1 1 A 14 14 SER C C 14 173.429 173.570 -0.141 1
1 114 . 2 1 1 A 14 14 SER CA C 14 56.650 56.545 0.105 1
1 115 . 2 1 1 A 14 14 SER CB C 14 70.177 65.009 5.168 1
1 116 . 2 1 1 A 14 14 SER N N 14 121.358 123.159 -1.801 1
1 117 . 2 1 1 A 15 15 ARG H H 15 9.545 8.899 0.646 1
1 118 . 2 1 1 A 15 15 ARG HA H 15 5.826 4.787 1.039 1
1 126 . 2 1 1 A 15 15 ARG C C 15 176.042 175.544 0.498 1
1 127 . 2 1 1 A 15 15 ARG CA C 15 55.105 55.521 -0.416 1
1 128 . 2 1 1 A 15 15 ARG CB C 15 35.587 32.465 3.122 1
1 131 . 2 1 1 A 15 15 ARG N N 15 118.317 127.192 -8.875 1
1 133 . 2 1 1 A 16 16 HIS H H 16 8.730 8.238 0.492 1
1 134 . 2 1 1 A 16 16 HIS HA H 16 5.555 5.455 0.100 1
1 141 . 2 1 1 A 16 16 HIS C C 16 174.062 173.066 0.996 1
1 142 . 2 1 1 A 16 16 HIS CA C 16 54.057 54.642 -0.585 1
1 143 . 2 1 1 A 16 16 HIS CB C 16 31.334 31.247 0.087 1
1 146 . 2 1 1 A 16 16 HIS N N 16 117.425 116.788 0.637 1
1 148 . 2 1 1 A 17 17 ASN H H 17 8.201 8.742 -0.541 1
1 149 . 2 1 1 A 17 17 ASN HA H 17 4.897 4.979 -0.082 1
1 154 . 2 1 1 A 17 17 ASN C C 17 178.263 175.653 2.610 1
1 155 . 2 1 1 A 17 17 ASN CA C 17 51.104 51.673 -0.569 1
1 156 . 2 1 1 A 17 17 ASN CB C 17 38.469 39.025 -0.556 1
1 157 . 2 1 1 A 17 17 ASN N N 17 116.276 117.916 -1.640 1
1 159 . 2 1 1 A 18 18 ILE H H 18 8.774 8.797 -0.023 1
1 160 . 2 1 1 A 18 18 ILE HA H 18 3.795 3.908 -0.113 1
1 170 . 2 1 1 A 18 18 ILE C C 18 174.851 177.796 -2.945 1
1 171 . 2 1 1 A 18 18 ILE CA C 18 64.399 64.077 0.322 1
1 172 . 2 1 1 A 18 18 ILE CB C 18 38.072 37.863 0.209 1
1 176 . 2 1 1 A 18 18 ILE N N 18 120.001 120.211 -0.210 1
1 177 . 2 1 1 A 19 19 GLU H H 19 7.213 7.847 -0.634 1
1 178 . 2 1 1 A 19 19 GLU HA H 19 4.225 4.115 0.110 1
1 183 . 2 1 1 A 19 19 GLU CA C 19 57.145 56.813 0.332 1
1 184 . 2 1 1 A 19 19 GLU CB C 19 29.878 29.791 0.087 1
1 186 . 2 1 1 A 19 19 GLU N N 19 116.538 119.917 -3.379 1
1 187 . 2 1 1 A 20 20 GLY H H 20 7.845 7.833 0.012 1
1 188 . 2 1 1 A 20 20 GLY HA2 H 20 4.878 2.770 2.108 1
1 189 . 2 1 1 A 20 20 GLY HA3 H 20 2.886 3.622 -0.736 1
1 190 . 2 1 1 A 20 20 GLY C C 20 172.992 174.073 -1.081 1
1 191 . 2 1 1 A 20 20 GLY CA C 20 44.049 44.278 -0.229 1
1 192 . 2 1 1 A 20 20 GLY N N 20 104.883 106.140 -1.257 1
1 193 . 2 1 1 A 21 21 ILE H H 21 7.841 7.552 0.289 1
1 194 . 2 1 1 A 21 21 ILE HA H 21 3.995 4.161 -0.166 1
1 204 . 2 1 1 A 21 21 ILE C C 21 176.915 175.476 1.439 1
1 205 . 2 1 1 A 21 21 ILE CA C 21 60.302 61.671 -1.369 1
1 206 . 2 1 1 A 21 21 ILE CB C 21 36.111 38.001 -1.890 1
1 210 . 2 1 1 A 21 21 ILE N N 21 120.855 122.699 -1.844 1
1 211 . 2 1 1 A 22 22 PHE H H 22 8.896 8.703 0.193 1
1 212 . 2 1 1 A 22 22 PHE HA H 22 5.052 5.027 0.025 1
1 220 . 2 1 1 A 22 22 PHE C C 22 177.971 176.238 1.733 1
1 221 . 2 1 1 A 22 22 PHE CA C 22 59.625 58.896 0.729 1
1 222 . 2 1 1 A 22 22 PHE CB C 22 39.984 38.908 1.076 1
1 228 . 2 1 1 A 22 22 PHE N N 22 125.849 128.555 -2.706 1
1 229 . 2 1 1 A 23 23 THR H H 23 9.771 8.766 1.005 1
1 230 . 2 1 1 A 23 23 THR HA H 23 4.403 4.482 -0.079 1
1 235 . 2 1 1 A 23 23 THR C C 23 175.589 174.480 1.109 1
1 236 . 2 1 1 A 23 23 THR CA C 23 61.611 62.395 -0.784 1
1 237 . 2 1 1 A 23 23 THR CB C 23 69.193 69.158 0.035 1
1 239 . 2 1 1 A 23 23 THR N N 23 117.677 115.549 2.128 1
1 240 . 2 1 1 A 24 24 PHE H H 24 7.948 7.407 0.541 1
1 241 . 2 1 1 A 24 24 PHE HA H 24 4.483 4.783 -0.300 1
1 249 . 2 1 1 A 24 24 PHE C C 24 173.376 173.266 0.110 1
1 250 . 2 1 1 A 24 24 PHE CA C 24 59.142 58.234 0.908 1
1 251 . 2 1 1 A 24 24 PHE CB C 24 42.161 42.457 -0.296 1
1 257 . 2 1 1 A 24 24 PHE N N 24 123.378 121.187 2.191 1
1 258 . 2 1 1 A 25 25 VAL H H 25 7.340 7.475 -0.135 1
1 259 . 2 1 1 A 25 25 VAL HA H 25 4.166 4.343 -0.177 1
1 267 . 2 1 1 A 25 25 VAL C C 25 173.103 173.624 -0.521 1
1 268 . 2 1 1 A 25 25 VAL CA C 25 61.539 60.414 1.125 1
1 269 . 2 1 1 A 25 25 VAL CB C 25 35.683 34.952 0.731 1
1 272 . 2 1 1 A 25 25 VAL N N 25 124.777 123.864 0.913 1
1 273 . 2 1 1 A 26 26 ASP H H 26 7.942 8.483 -0.541 1
1 274 . 2 1 1 A 26 26 ASP HA H 26 4.466 4.527 -0.061 1
1 277 . 2 1 1 A 26 26 ASP C C 26 175.258 177.271 -2.013 1
1 278 . 2 1 1 A 26 26 ASP CA C 26 53.318 54.383 -1.065 1
1 279 . 2 1 1 A 26 26 ASP CB C 26 42.461 42.300 0.161 1
1 280 . 2 1 1 A 26 26 ASP N N 26 125.573 126.539 -0.966 1
1 281 . 2 1 1 A 27 27 HIS H H 27 8.115 8.931 -0.816 1
1 282 . 2 1 1 A 27 27 HIS HA H 27 4.222 4.108 0.114 1
1 286 . 2 1 1 A 27 27 HIS C C 27 177.268 176.487 0.781 1
1 287 . 2 1 1 A 27 27 HIS CA C 27 59.164 58.725 0.439 1
1 288 . 2 1 1 A 27 27 HIS CB C 27 30.374 29.233 1.141 1
1 290 . 2 1 1 A 27 27 HIS N N 27 117.576 123.548 -5.972 1
1 291 . 2 1 1 A 28 28 ARG H H 28 8.724 8.070 0.654 1
1 292 . 2 1 1 A 28 28 ARG HA H 28 4.210 3.689 0.521 1
1 300 . 2 1 1 A 28 28 ARG C C 28 177.838 179.090 -1.252 1
1 301 . 2 1 1 A 28 28 ARG CA C 28 58.199 59.201 -1.002 1
1 302 . 2 1 1 A 28 28 ARG CB C 28 29.815 29.453 0.362 1
1 305 . 2 1 1 A 28 28 ARG N N 28 122.414 120.566 1.848 1
1 307 . 2 1 1 A 29 29 CYS H H 29 8.102 8.253 -0.151 1
1 308 . 2 1 1 A 29 29 CYS HA H 29 3.124 3.092 0.032 1
1 311 . 2 1 1 A 29 29 CYS C C 29 175.551 176.944 -1.393 1
1 312 . 2 1 1 A 29 29 CYS CA C 29 59.988 61.064 -1.076 1
1 313 . 2 1 1 A 29 29 CYS CB C 29 25.101 26.200 -1.099 1
1 314 . 2 1 1 A 29 29 CYS N N 29 119.987 117.515 2.472 1
1 315 . 2 1 1 A 30 30 VAL H H 30 7.139 7.099 0.040 1
1 316 . 2 1 1 A 30 30 VAL HA H 30 3.373 3.640 -0.267 1
1 324 . 2 1 1 A 30 30 VAL C C 30 178.225 178.010 0.215 1
1 325 . 2 1 1 A 30 30 VAL CA C 30 65.903 64.544 1.359 1
1 326 . 2 1 1 A 30 30 VAL CB C 30 31.446 31.526 -0.080 1
1 329 . 2 1 1 A 30 30 VAL N N 30 125.016 119.529 5.487 1
1 330 . 2 1 1 A 31 31 ALA H H 31 7.393 7.745 -0.352 1
1 331 . 2 1 1 A 31 31 ALA HA H 31 4.126 4.071 0.055 1
1 335 . 2 1 1 A 31 31 ALA C C 31 178.111 179.626 -1.515 1
1 336 . 2 1 1 A 31 31 ALA CA C 31 53.715 54.332 -0.617 1
1 337 . 2 1 1 A 31 31 ALA CB C 31 19.223 18.414 0.809 1
1 338 . 2 1 1 A 31 31 ALA N N 31 120.554 124.016 -3.462 1
1 339 . 2 1 1 A 32 32 THR H H 32 7.253 7.740 -0.487 1
1 340 . 2 1 1 A 32 32 THR HA H 32 4.116 4.089 0.027 1
1 345 . 2 1 1 A 32 32 THR C C 32 175.655 176.011 -0.356 1
1 346 . 2 1 1 A 32 32 THR CA C 32 64.727 65.389 -0.662 1
1 347 . 2 1 1 A 32 32 THR CB C 32 69.144 69.487 -0.343 1
1 349 . 2 1 1 A 32 32 THR N N 32 109.150 113.242 -4.092 1
1 350 . 2 1 1 A 33 33 VAL H H 33 7.939 7.758 0.181 1
1 351 . 2 1 1 A 33 33 VAL HA H 33 4.504 4.635 -0.131 1
1 359 . 2 1 1 A 33 33 VAL C C 33 175.594 176.447 -0.853 1
1 360 . 2 1 1 A 33 33 VAL CA C 33 60.596 60.499 0.097 1
1 361 . 2 1 1 A 33 33 VAL CB C 33 34.900 31.445 3.455 1
1 364 . 2 1 1 A 33 33 VAL N N 33 108.519 113.190 -4.671 1
1 365 . 2 1 1 A 34 34 GLY H H 34 7.439 7.829 -0.390 1
1 366 . 2 1 1 A 34 34 GLY HA2 H 34 4.099 3.673 0.426 1
1 367 . 2 1 1 A 34 34 GLY HA3 H 34 3.846 3.780 0.066 1
1 368 . 2 1 1 A 34 34 GLY C C 34 173.655 173.651 0.004 1
1 369 . 2 1 1 A 34 34 GLY CA C 34 46.538 45.335 1.203 1
1 370 . 2 1 1 A 34 34 GLY N N 34 109.672 110.219 -0.547 1
1 371 . 2 1 1 A 35 35 TYR H H 35 6.215 7.549 -1.334 1
1 372 . 2 1 1 A 35 35 TYR HA H 35 4.415 4.411 0.004 1
1 379 . 2 1 1 A 35 35 TYR C C 35 174.492 175.333 -0.841 1
1 380 . 2 1 1 A 35 35 TYR CA C 35 57.289 58.901 -1.612 1
1 381 . 2 1 1 A 35 35 TYR CB C 35 40.784 38.083 2.701 1
1 386 . 2 1 1 A 35 35 TYR N N 35 117.067 119.870 -2.803 1
1 387 . 2 1 1 A 36 36 GLN H H 36 9.145 8.605 0.540 1
1 388 . 2 1 1 A 36 36 GLN HA H 36 4.285 4.238 0.047 1
1 393 . 2 1 1 A 36 36 GLN CA C 36 53.760 54.639 -0.879 1
1 394 . 2 1 1 A 36 36 GLN CB C 36 27.558 28.373 -0.815 1
1 396 . 2 1 1 A 36 36 GLN N N 36 117.664 123.960 -6.296 1
1 397 . 2 1 1 A 37 37 PRO HA H 37 3.755 4.030 -0.275 1
1 404 . 2 1 1 A 37 37 PRO C C 37 178.629 178.188 0.441 1
1 405 . 2 1 1 A 37 37 PRO CA C 37 66.415 65.777 0.638 1
1 406 . 2 1 1 A 37 37 PRO CB C 37 31.313 31.686 -0.373 1
1 409 . 2 1 1 A 38 38 GLN H H 38 8.870 8.787 0.083 1
1 410 . 2 1 1 A 38 38 GLN HA H 38 3.996 4.067 -0.071 1
1 415 . 2 1 1 A 38 38 GLN C C 38 177.121 177.603 -0.482 1
1 416 . 2 1 1 A 38 38 GLN CA C 38 58.468 58.818 -0.350 1
1 417 . 2 1 1 A 38 38 GLN CB C 38 27.259 27.693 -0.434 1
1 419 . 2 1 1 A 38 38 GLN N N 38 113.031 115.301 -2.270 1
1 420 . 2 1 1 A 39 39 GLU H H 39 7.799 7.947 -0.148 1
1 421 . 2 1 1 A 39 39 GLU HA H 39 4.203 4.259 -0.056 1
1 426 . 2 1 1 A 39 39 GLU C C 39 175.485 177.370 -1.885 1
1 427 . 2 1 1 A 39 39 GLU CA C 39 57.598 58.261 -0.663 1
1 428 . 2 1 1 A 39 39 GLU CB C 39 30.955 29.642 1.313 1
1 430 . 2 1 1 A 39 39 GLU N N 39 117.366 119.600 -2.234 1
1 431 . 2 1 1 A 40 40 LEU H H 40 7.001 7.302 -0.301 1
1 432 . 2 1 1 A 40 40 LEU HA H 40 4.205 4.528 -0.323 1
1 442 . 2 1 1 A 40 40 LEU C C 40 176.417 177.294 -0.877 1
1 443 . 2 1 1 A 40 40 LEU CA C 40 55.345 55.560 -0.215 1
1 444 . 2 1 1 A 40 40 LEU CB C 40 43.190 43.511 -0.321 1
1 448 . 2 1 1 A 40 40 LEU N N 40 116.615 118.751 -2.136 1
1 449 . 2 1 1 A 41 41 LEU H H 41 7.521 7.910 -0.389 1
1 450 . 2 1 1 A 41 41 LEU HA H 41 3.678 4.379 -0.701 1
1 460 . 2 1 1 A 41 41 LEU C C 41 177.754 177.956 -0.202 1
1 461 . 2 1 1 A 41 41 LEU CA C 41 57.050 57.299 -0.249 1
1 462 . 2 1 1 A 41 41 LEU CB C 41 42.155 41.623 0.532 1
1 466 . 2 1 1 A 41 41 LEU N N 41 117.814 121.216 -3.402 1
1 467 . 2 1 1 A 42 42 GLY H H 42 8.535 9.317 -0.782 1
1 468 . 2 1 1 A 42 42 GLY HA2 H 42 4.328 4.012 0.316 1
1 469 . 2 1 1 A 42 42 GLY HA3 H 42 3.601 4.012 -0.411 1
1 470 . 2 1 1 A 42 42 GLY C C 42 173.808 173.793 0.015 1
1 471 . 2 1 1 A 42 42 GLY CA C 42 45.689 45.230 0.459 1
1 472 . 2 1 1 A 42 42 GLY N N 42 110.496 111.911 -1.415 1
1 473 . 2 1 1 A 43 43 LYS H H 43 8.398 8.111 0.287 1
1 474 . 2 1 1 A 43 43 LYS HA H 43 4.680 4.611 0.069 1
1 483 . 2 1 1 A 43 43 LYS C C 43 173.943 175.370 -1.427 1
1 484 . 2 1 1 A 43 43 LYS CA C 43 54.361 54.556 -0.195 1
1 485 . 2 1 1 A 43 43 LYS CB C 43 33.960 34.284 -0.324 1
1 489 . 2 1 1 A 43 43 LYS N N 43 120.461 120.644 -0.183 1
1 490 . 2 1 1 A 44 44 ASN H H 44 8.892 8.235 0.657 1
1 491 . 2 1 1 A 44 44 ASN HA H 44 4.690 4.636 0.054 1
1 496 . 2 1 1 A 44 44 ASN C C 44 176.922 175.597 1.325 1
1 497 . 2 1 1 A 44 44 ASN CA C 44 52.256 53.110 -0.854 1
1 498 . 2 1 1 A 44 44 ASN CB C 44 40.451 39.438 1.013 1
1 499 . 2 1 1 A 44 44 ASN N N 44 119.869 121.723 -1.854 1
1 501 . 2 1 1 A 45 45 ILE H H 45 8.543 8.242 0.301 1
1 502 . 2 1 1 A 45 45 ILE HA H 45 3.887 3.651 0.236 1
1 511 . 2 1 1 A 45 45 ILE C C 45 176.137 177.038 -0.901 1
1 512 . 2 1 1 A 45 45 ILE CA C 45 65.116 64.129 0.987 1
1 513 . 2 1 1 A 45 45 ILE CB C 45 36.637 37.507 -0.870 1
1 517 . 2 1 1 A 45 45 ILE N N 45 129.131 127.250 1.881 1
1 518 . 2 1 1 A 46 46 VAL H H 46 9.059 7.334 1.725 1
1 519 . 2 1 1 A 46 46 VAL HA H 46 3.439 3.753 -0.314 1
1 527 . 2 1 1 A 46 46 VAL C C 46 178.407 178.164 0.243 1
1 528 . 2 1 1 A 46 46 VAL CA C 46 65.705 65.383 0.322 1
1 529 . 2 1 1 A 46 46 VAL CB C 46 31.022 31.179 -0.157 1
1 532 . 2 1 1 A 46 46 VAL N N 46 118.981 117.509 1.472 1
1 533 . 2 1 1 A 47 47 GLU H H 47 7.923 8.374 -0.451 1
1 534 . 2 1 1 A 47 47 GLU HA H 47 3.989 3.919 0.070 1
1 539 . 2 1 1 A 47 47 GLU C C 47 177.664 178.499 -0.835 1
1 540 . 2 1 1 A 47 47 GLU CA C 47 57.999 59.034 -1.035 1
1 541 . 2 1 1 A 47 47 GLU CB C 47 28.849 28.961 -0.112 1
1 543 . 2 1 1 A 47 47 GLU N N 47 117.733 121.463 -3.730 1
1 544 . 2 1 1 A 48 48 PHE H H 48 7.689 7.425 0.264 1
1 545 . 2 1 1 A 48 48 PHE HA H 48 4.177 4.233 -0.056 1
1 553 . 2 1 1 A 48 48 PHE C C 48 172.739 175.858 -3.119 1
1 554 . 2 1 1 A 48 48 PHE CA C 48 57.725 59.580 -1.855 1
1 555 . 2 1 1 A 48 48 PHE CB C 48 39.428 39.426 0.002 1
1 561 . 2 1 1 A 48 48 PHE N N 48 117.768 115.153 2.615 1
1 562 . 2 1 1 A 49 49 CYS H H 49 7.413 7.363 0.050 1
1 563 . 2 1 1 A 49 49 CYS HA H 49 5.671 5.042 0.629 1
1 566 . 2 1 1 A 49 49 CYS CA C 49 56.429 60.017 -3.588 1
1 567 . 2 1 1 A 49 49 CYS CB C 49 28.747 28.152 0.595 1
1 568 . 2 1 1 A 49 49 CYS N N 49 119.705 118.183 1.522 1
1 569 . 2 1 1 A 50 50 HIS H H 50 8.640 8.579 0.061 1
1 570 . 2 1 1 A 50 50 HIS HA H 50 3.655 4.005 -0.350 1
1 574 . 2 1 1 A 50 50 HIS CA C 50 56.934 54.813 2.121 1
1 575 . 2 1 1 A 50 50 HIS CB C 50 32.071 30.252 1.819 1
1 577 . 2 1 1 A 50 50 HIS N N 50 134.180 124.834 9.346 1
1 578 . 2 1 1 A 51 51 PRO HA H 51 4.044 4.142 -0.098 1
1 584 . 2 1 1 A 51 51 PRO C C 51 179.121 178.999 0.122 1
1 585 . 2 1 1 A 51 51 PRO CA C 51 65.989 66.062 -0.073 1
1 586 . 2 1 1 A 51 51 PRO CB C 51 32.605 31.516 1.089 1
1 589 . 2 1 1 A 52 52 GLU H H 52 10.986 8.900 2.086 1
1 590 . 2 1 1 A 52 52 GLU HA H 52 4.125 4.116 0.009 1
1 595 . 2 1 1 A 52 52 GLU C C 52 177.643 177.345 0.298 1
1 596 . 2 1 1 A 52 52 GLU CA C 52 58.522 59.047 -0.525 1
1 597 . 2 1 1 A 52 52 GLU CB C 52 29.347 28.871 0.476 1
1 599 . 2 1 1 A 52 52 GLU N N 52 119.351 117.784 1.567 1
1 600 . 2 1 1 A 53 53 ASP H H 53 8.203 8.142 0.061 1
1 601 . 2 1 1 A 53 53 ASP HA H 53 4.898 4.610 0.288 1
1 604 . 2 1 1 A 53 53 ASP C C 53 175.641 177.478 -1.837 1
1 605 . 2 1 1 A 53 53 ASP CA C 53 54.092 54.901 -0.809 1
1 606 . 2 1 1 A 53 53 ASP CB C 53 43.596 41.613 1.983 1
1 607 . 2 1 1 A 53 53 ASP N N 53 117.757 117.908 -0.151 1
1 608 . 2 1 1 A 54 54 GLN H H 54 6.922 8.012 -1.090 1
1 609 . 2 1 1 A 54 54 GLN HA H 54 3.985 3.967 0.018 1
1 616 . 2 1 1 A 54 54 GLN C C 54 177.417 178.745 -1.328 1
1 617 . 2 1 1 A 54 54 GLN CA C 54 60.084 58.896 1.188 1
1 618 . 2 1 1 A 54 54 GLN CB C 54 28.448 28.187 0.261 1
1 620 . 2 1 1 A 54 54 GLN N N 54 118.680 119.442 -0.762 1
1 622 . 2 1 1 A 55 55 GLN H H 55 8.663 7.973 0.690 1
1 623 . 2 1 1 A 55 55 GLN HA H 55 3.778 4.038 -0.260 1
1 630 . 2 1 1 A 55 55 GLN C C 55 177.398 178.096 -0.698 1
1 631 . 2 1 1 A 55 55 GLN CA C 55 58.812 58.594 0.218 1
1 632 . 2 1 1 A 55 55 GLN CB C 55 27.402 28.372 -0.970 1
1 634 . 2 1 1 A 55 55 GLN N N 55 119.173 119.888 -0.715 1
1 636 . 2 1 1 A 56 56 LEU H H 56 7.935 7.633 0.302 1
1 637 . 2 1 1 A 56 56 LEU HA H 56 4.071 4.090 -0.019 1
1 647 . 2 1 1 A 56 56 LEU C C 56 180.037 178.032 2.005 1
1 648 . 2 1 1 A 56 56 LEU CA C 56 57.698 57.427 0.271 1
1 649 . 2 1 1 A 56 56 LEU CB C 56 41.586 42.266 -0.680 1
1 653 . 2 1 1 A 56 56 LEU N N 56 119.661 120.609 -0.948 1
1 654 . 2 1 1 A 57 57 LEU H H 57 7.382 7.924 -0.542 1
1 655 . 2 1 1 A 57 57 LEU HA H 57 3.575 3.629 -0.054 1
1 665 . 2 1 1 A 57 57 LEU C C 57 178.470 178.201 0.269 1
1 666 . 2 1 1 A 57 57 LEU CA C 57 57.703 58.127 -0.424 1
1 667 . 2 1 1 A 57 57 LEU CB C 57 42.077 41.544 0.533 1
1 671 . 2 1 1 A 57 57 LEU N N 57 119.857 119.929 -0.072 1
1 672 . 2 1 1 A 58 58 ARG H H 58 8.118 8.567 -0.449 1
1 673 . 2 1 1 A 58 58 ARG HA H 58 3.338 3.840 -0.502 1
1 680 . 2 1 1 A 58 58 ARG C C 58 179.713 178.690 1.023 1
1 681 . 2 1 1 A 58 58 ARG CA C 58 60.120 59.705 0.415 1
1 682 . 2 1 1 A 58 58 ARG CB C 58 30.320 29.812 0.508 1
1 685 . 2 1 1 A 58 58 ARG N N 58 118.198 117.857 0.341 1
1 686 . 2 1 1 A 59 59 ASP H H 59 8.748 8.001 0.747 1
1 687 . 2 1 1 A 59 59 ASP HA H 59 4.336 4.275 0.061 1
1 690 . 2 1 1 A 59 59 ASP C C 59 179.130 177.601 1.529 1
1 691 . 2 1 1 A 59 59 ASP CA C 59 57.197 57.565 -0.368 1
1 692 . 2 1 1 A 59 59 ASP CB C 59 40.212 41.834 -1.622 1
1 693 . 2 1 1 A 59 59 ASP N N 59 119.165 119.860 -0.695 1
1 694 . 2 1 1 A 60 60 SER H H 60 7.552 7.906 -0.354 1
1 695 . 2 1 1 A 60 60 SER HA H 60 4.116 4.018 0.098 1
1 698 . 2 1 1 A 60 60 SER C C 60 175.883 177.657 -1.774 1
1 699 . 2 1 1 A 60 60 SER CA C 60 61.975 61.319 0.656 1
1 700 . 2 1 1 A 60 60 SER CB C 60 63.098 62.430 0.668 1
1 701 . 2 1 1 A 60 60 SER N N 60 117.761 113.972 3.789 1
1 702 . 2 1 1 A 61 61 PHE H H 61 7.063 7.486 -0.423 1
1 703 . 2 1 1 A 61 61 PHE HA H 61 4.614 4.389 0.225 1
1 711 . 2 1 1 A 61 61 PHE C C 61 177.561 178.402 -0.841 1
1 712 . 2 1 1 A 61 61 PHE CA C 61 56.777 61.835 -5.058 1
1 713 . 2 1 1 A 61 61 PHE CB C 61 36.564 38.306 -1.742 1
1 719 . 2 1 1 A 61 61 PHE N N 61 122.009 119.576 2.433 1
1 720 . 2 1 1 A 62 62 GLN H H 62 7.376 8.340 -0.964 1
1 721 . 2 1 1 A 62 62 GLN HA H 62 4.038 4.027 0.011 1
1 726 . 2 1 1 A 62 62 GLN C C 62 179.093 178.706 0.387 1
1 727 . 2 1 1 A 62 62 GLN CA C 62 58.240 59.243 -1.003 1
1 728 . 2 1 1 A 62 62 GLN CB C 62 28.094 28.316 -0.222 1
1 730 . 2 1 1 A 62 62 GLN N N 62 114.929 118.646 -3.717 1
1 731 . 2 1 1 A 63 63 GLN H H 63 7.893 7.862 0.031 1
1 732 . 2 1 1 A 63 63 GLN HA H 63 4.083 4.203 -0.120 1
1 737 . 2 1 1 A 63 63 GLN C C 63 178.244 178.594 -0.350 1
1 738 . 2 1 1 A 63 63 GLN CA C 63 58.408 58.281 0.127 1
1 739 . 2 1 1 A 63 63 GLN CB C 63 28.755 28.704 0.051 1
1 741 . 2 1 1 A 63 63 GLN N N 63 117.434 119.915 -2.481 1
1 742 . 2 1 1 A 64 64 VAL H H 64 8.220 8.157 0.063 1
1 743 . 2 1 1 A 64 64 VAL HA H 64 3.663 4.117 -0.454 1
1 751 . 2 1 1 A 64 64 VAL C C 64 177.137 178.054 -0.917 1
1 752 . 2 1 1 A 64 64 VAL CA C 64 66.107 65.560 0.547 1
1 753 . 2 1 1 A 64 64 VAL CB C 64 31.475 31.581 -0.106 1
1 756 . 2 1 1 A 64 64 VAL N N 64 118.766 117.122 1.644 1
1 757 . 2 1 1 A 65 65 VAL H H 65 6.860 7.664 -0.804 1
1 758 . 2 1 1 A 65 65 VAL HA H 65 3.833 3.897 -0.064 1
1 766 . 2 1 1 A 65 65 VAL C C 65 177.624 178.021 -0.397 1
1 767 . 2 1 1 A 65 65 VAL CA C 65 64.200 64.829 -0.629 1
1 768 . 2 1 1 A 65 65 VAL CB C 65 31.730 31.711 0.019 1
1 771 . 2 1 1 A 65 65 VAL N N 65 112.590 122.257 -9.667 1
1 772 . 2 1 1 A 66 66 LYS H H 66 7.431 7.750 -0.319 1
1 773 . 2 1 1 A 66 66 LYS HA H 66 4.184 3.979 0.205 1
1 782 . 2 1 1 A 66 66 LYS C C 66 177.374 178.280 -0.906 1
1 783 . 2 1 1 A 66 66 LYS CA C 66 58.190 59.664 -1.474 1
1 784 . 2 1 1 A 66 66 LYS CB C 66 33.232 32.264 0.968 1
1 788 . 2 1 1 A 66 66 LYS N N 66 119.643 122.044 -2.401 1
1 789 . 2 1 1 A 67 67 LEU H H 67 7.859 8.125 -0.266 1
1 790 . 2 1 1 A 67 67 LEU HA H 67 4.552 4.316 0.236 1
1 800 . 2 1 1 A 67 67 LEU C C 67 175.532 175.875 -0.343 1
1 801 . 2 1 1 A 67 67 LEU CA C 67 53.108 55.216 -2.108 1
1 802 . 2 1 1 A 67 67 LEU CB C 67 40.979 41.752 -0.773 1
1 806 . 2 1 1 A 67 67 LEU N N 67 121.288 118.100 3.188 1
1 807 . 2 1 1 A 68 68 LYS H H 68 7.475 8.099 -0.624 1
1 808 . 2 1 1 A 68 68 LYS HA H 68 4.156 4.001 0.155 1
1 817 . 2 1 1 A 68 68 LYS C C 68 177.987 176.592 1.395 1
1 818 . 2 1 1 A 68 68 LYS CA C 68 58.388 57.439 0.949 1
1 819 . 2 1 1 A 68 68 LYS CB C 68 32.207 30.951 1.256 1
1 823 . 2 1 1 A 68 68 LYS N N 68 119.626 116.796 2.830 1
1 824 . 2 1 1 A 69 69 GLY H H 69 8.696 8.243 0.453 1
1 825 . 2 1 1 A 69 69 GLY HA2 H 69 4.294 4.055 0.239 1
1 826 . 2 1 1 A 69 69 GLY HA3 H 69 3.896 4.058 -0.162 1
1 827 . 2 1 1 A 69 69 GLY CA C 69 45.335 45.249 0.086 1
1 828 . 2 1 1 A 69 69 GLY N N 69 113.681 104.826 8.855 1
1 829 . 2 1 1 A 70 70 GLN H H 70 8.031 7.497 0.534 1
1 830 . 2 1 1 A 70 70 GLN HA H 70 4.508 4.266 0.242 1
1 835 . 2 1 1 A 70 70 GLN C C 70 174.684 175.114 -0.430 1
1 836 . 2 1 1 A 70 70 GLN CA C 70 55.347 56.536 -1.189 1
1 837 . 2 1 1 A 70 70 GLN CB C 70 30.111 29.465 0.646 1
1 839 . 2 1 1 A 70 70 GLN N N 70 119.949 121.859 -1.910 1
1 840 . 2 1 1 A 71 71 VAL H H 71 8.232 8.459 -0.227 1
1 841 . 2 1 1 A 71 71 VAL HA H 71 4.822 4.632 0.190 1
1 849 . 2 1 1 A 71 71 VAL C C 71 176.406 175.108 1.298 1
1 850 . 2 1 1 A 71 71 VAL CA C 71 61.198 62.379 -1.181 1
1 851 . 2 1 1 A 71 71 VAL CB C 71 32.964 32.768 0.196 1
1 854 . 2 1 1 A 71 71 VAL N N 71 121.816 126.855 -5.039 1
1 855 . 2 1 1 A 72 72 LEU H H 72 9.052 9.325 -0.273 1
1 856 . 2 1 1 A 72 72 LEU HA H 72 4.827 5.233 -0.406 1
1 865 . 2 1 1 A 72 72 LEU C C 72 175.411 175.683 -0.272 1
1 866 . 2 1 1 A 72 72 LEU CA C 72 52.895 53.271 -0.376 1
1 867 . 2 1 1 A 72 72 LEU CB C 72 44.755 45.289 -0.534 1
1 870 . 2 1 1 A 72 72 LEU N N 72 130.331 130.000 0.331 1
1 871 . 2 1 1 A 73 73 SER H H 73 8.057 9.024 -0.967 1
1 872 . 2 1 1 A 73 73 SER HA H 73 5.211 5.783 -0.572 1
1 875 . 2 1 1 A 73 73 SER C C 73 174.562 173.030 1.532 1
1 876 . 2 1 1 A 73 73 SER CA C 73 56.591 56.743 -0.152 1
1 877 . 2 1 1 A 73 73 SER CB C 73 66.336 65.043 1.293 1
1 878 . 2 1 1 A 73 73 SER N N 73 113.040 118.744 -5.704 1
1 879 . 2 1 1 A 74 74 VAL H H 74 8.799 8.706 0.093 1
1 880 . 2 1 1 A 74 74 VAL HA H 74 4.705 5.011 -0.306 1
1 888 . 2 1 1 A 74 74 VAL C C 74 174.122 173.957 0.165 1
1 889 . 2 1 1 A 74 74 VAL CA C 74 59.403 59.488 -0.085 1
1 890 . 2 1 1 A 74 74 VAL CB C 74 35.474 35.898 -0.424 1
1 893 . 2 1 1 A 74 74 VAL N N 74 122.721 121.891 0.830 1
1 894 . 2 1 1 A 75 75 MET H H 75 8.195 8.803 -0.608 1
1 895 . 2 1 1 A 75 75 MET HA H 75 5.922 6.058 -0.136 1
1 903 . 2 1 1 A 75 75 MET C C 75 175.531 175.653 -0.122 1
1 904 . 2 1 1 A 75 75 MET CA C 75 54.021 54.014 0.007 1
1 905 . 2 1 1 A 75 75 MET CB C 75 34.750 33.964 0.786 1
1 908 . 2 1 1 A 75 75 MET N N 75 120.057 123.663 -3.606 1
1 909 . 2 1 1 A 76 76 PHE H H 76 9.394 9.083 0.311 1
1 910 . 2 1 1 A 76 76 PHE HA H 76 5.004 5.149 -0.145 1
1 918 . 2 1 1 A 76 76 PHE C C 76 171.623 172.398 -0.775 1
1 919 . 2 1 1 A 76 76 PHE CA C 76 55.802 55.498 0.304 1
1 920 . 2 1 1 A 76 76 PHE CB C 76 42.072 41.993 0.079 1
1 926 . 2 1 1 A 76 76 PHE N N 76 120.244 119.958 0.286 1
1 927 . 2 1 1 A 77 77 ARG H H 77 8.783 8.244 0.539 1
1 928 . 2 1 1 A 77 77 ARG HA H 77 4.420 4.236 0.184 1
1 936 . 2 1 1 A 77 77 ARG C C 77 173.455 174.574 -1.119 1
1 937 . 2 1 1 A 77 77 ARG CA C 77 54.218 55.090 -0.872 1
1 938 . 2 1 1 A 77 77 ARG CB C 77 32.439 30.276 2.163 1
1 941 . 2 1 1 A 77 77 ARG N N 77 121.379 118.861 2.518 1
1 943 . 2 1 1 A 78 78 PHE H H 78 9.258 9.201 0.057 1
1 944 . 2 1 1 A 78 78 PHE HA H 78 5.438 5.174 0.264 1
1 952 . 2 1 1 A 78 78 PHE C C 78 175.873 174.514 1.359 1
1 953 . 2 1 1 A 78 78 PHE CA C 78 55.173 56.827 -1.654 1
1 954 . 2 1 1 A 78 78 PHE CB C 78 44.530 39.773 4.757 1
1 960 . 2 1 1 A 78 78 PHE N N 78 128.097 126.424 1.673 1
1 961 . 2 1 1 A 79 79 ARG H H 79 9.242 8.896 0.346 1
1 962 . 2 1 1 A 79 79 ARG HA H 79 4.201 4.649 -0.448 1
1 969 . 2 1 1 A 79 79 ARG C C 79 175.316 176.422 -1.106 1
1 970 . 2 1 1 A 79 79 ARG CA C 79 55.255 56.688 -1.433 1
1 971 . 2 1 1 A 79 79 ARG CB C 79 29.358 30.408 -1.050 1
1 974 . 2 1 1 A 79 79 ARG N N 79 129.898 130.469 -0.571 1
1 975 . 2 1 1 A 80 80 SER H H 80 9.253 8.792 0.461 1
1 976 . 2 1 1 A 80 80 SER HA H 80 4.772 5.070 -0.298 1
1 979 . 2 1 1 A 80 80 SER C C 80 174.983 175.814 -0.831 1
1 980 . 2 1 1 A 80 80 SER CA C 80 58.191 58.214 -0.023 1
1 981 . 2 1 1 A 80 80 SER CB C 80 64.930 64.662 0.268 1
1 982 . 2 1 1 A 80 80 SER N N 80 128.002 123.843 4.159 1
1 983 . 2 1 1 A 81 81 LYS H H 81 8.065 8.825 -0.760 1
1 984 . 2 1 1 A 81 81 LYS HA H 81 3.675 3.605 0.070 1
1 993 . 2 1 1 A 81 81 LYS C C 81 177.417 177.585 -0.168 1
1 994 . 2 1 1 A 81 81 LYS CA C 81 59.236 58.717 0.519 1
1 995 . 2 1 1 A 81 81 LYS CB C 81 31.641 31.982 -0.341 1
1 999 . 2 1 1 A 81 81 LYS N N 81 123.505 123.699 -0.194 1
1 1000 . 2 1 1 A 82 82 ASN H H 82 7.934 7.829 0.105 1
1 1001 . 2 1 1 A 82 82 ASN HA H 82 4.679 4.763 -0.084 1
1 1006 . 2 1 1 A 82 82 ASN C C 82 173.949 174.261 -0.312 1
1 1007 . 2 1 1 A 82 82 ASN CA C 82 52.764 52.776 -0.012 1
1 1008 . 2 1 1 A 82 82 ASN CB C 82 37.428 38.542 -1.114 1
1 1009 . 2 1 1 A 82 82 ASN N N 82 115.202 114.369 0.833 1
1 1011 . 2 1 1 A 83 83 GLN H H 83 8.099 8.198 -0.099 1
1 1012 . 2 1 1 A 83 83 GLN HA H 83 3.382 3.777 -0.395 1
1 1019 . 2 1 1 A 83 83 GLN C C 83 174.208 173.964 0.244 1
1 1020 . 2 1 1 A 83 83 GLN CA C 83 56.400 56.828 -0.428 1
1 1021 . 2 1 1 A 83 83 GLN CB C 83 25.003 26.183 -1.180 1
1 1023 . 2 1 1 A 83 83 GLN N N 83 112.357 115.757 -3.400 1
1 1025 . 2 1 1 A 84 84 GLU H H 84 7.385 7.608 -0.223 1
1 1026 . 2 1 1 A 84 84 GLU HA H 84 4.322 4.719 -0.397 1
1 1031 . 2 1 1 A 84 84 GLU CA C 84 54.720 54.800 -0.080 1
1 1032 . 2 1 1 A 84 84 GLU CB C 84 31.713 32.320 -0.607 1
1 1034 . 2 1 1 A 84 84 GLU N N 84 117.557 116.897 0.660 1
1 1035 . 2 1 1 A 85 85 TRP H H 85 8.645 8.735 -0.090 1
1 1036 . 2 1 1 A 85 85 TRP HA H 85 5.145 4.826 0.319 1
1 1045 . 2 1 1 A 85 85 TRP C C 85 175.772 175.712 0.060 1
1 1046 . 2 1 1 A 85 85 TRP CA C 85 55.591 57.093 -1.502 1
1 1047 . 2 1 1 A 85 85 TRP CB C 85 30.113 28.108 2.005 1
1 1053 . 2 1 1 A 85 85 TRP N N 85 121.388 123.107 -1.719 1
1 1055 . 2 1 1 A 86 86 LEU H H 86 9.348 8.778 0.570 1
1 1056 . 2 1 1 A 86 86 LEU HA H 86 4.847 4.765 0.082 1
1 1066 . 2 1 1 A 86 86 LEU C C 86 176.991 176.420 0.571 1
1 1067 . 2 1 1 A 86 86 LEU CA C 86 53.102 54.524 -1.422 1
1 1068 . 2 1 1 A 86 86 LEU CB C 86 44.527 41.398 3.129 1
1 1071 . 2 1 1 A 86 86 LEU N N 86 126.537 125.725 0.812 1
1 1072 . 2 1 1 A 87 87 TRP H H 87 8.870 8.886 -0.016 1
1 1073 . 2 1 1 A 87 87 TRP HA H 87 4.465 4.976 -0.511 1
1 1082 . 2 1 1 A 87 87 TRP C C 87 175.731 176.937 -1.206 1
1 1083 . 2 1 1 A 87 87 TRP CA C 87 59.207 58.335 0.872 1
1 1084 . 2 1 1 A 87 87 TRP CB C 87 29.736 30.299 -0.563 1
1 1090 . 2 1 1 A 87 87 TRP N N 87 123.902 126.761 -2.859 1
1 1092 . 2 1 1 A 88 88 MET H H 88 9.432 9.095 0.337 1
1 1093 . 2 1 1 A 88 88 MET HA H 88 5.267 5.593 -0.326 1
1 1101 . 2 1 1 A 88 88 MET C C 88 174.713 174.179 0.534 1
1 1102 . 2 1 1 A 88 88 MET CA C 88 52.557 54.350 -1.793 1
1 1103 . 2 1 1 A 88 88 MET CB C 88 36.139 37.423 -1.284 1
1 1106 . 2 1 1 A 88 88 MET N N 88 123.412 121.374 2.038 1
1 1107 . 2 1 1 A 89 89 ARG H H 89 9.282 8.970 0.312 1
1 1108 . 2 1 1 A 89 89 ARG HA H 89 5.702 5.197 0.505 1
1 1115 . 2 1 1 A 89 89 ARG C C 89 177.137 175.720 1.417 1
1 1116 . 2 1 1 A 89 89 ARG CA C 89 54.266 54.805 -0.539 1
1 1117 . 2 1 1 A 89 89 ARG CB C 89 34.404 32.335 2.069 1
1 1120 . 2 1 1 A 89 89 ARG N N 89 119.570 121.354 -1.784 1
1 1121 . 2 1 1 A 90 90 THR H H 90 9.298 9.160 0.138 1
1 1122 . 2 1 1 A 90 90 THR HA H 90 5.625 5.292 0.333 1
1 1127 . 2 1 1 A 90 90 THR C C 90 176.787 174.442 2.345 1
1 1128 . 2 1 1 A 90 90 THR CA C 90 60.327 60.490 -0.163 1
1 1129 . 2 1 1 A 90 90 THR CB C 90 72.187 70.377 1.810 1
1 1131 . 2 1 1 A 90 90 THR N N 90 115.133 117.706 -2.573 1
1 1132 . 2 1 1 A 91 91 SER H H 91 8.194 8.753 -0.559 1
1 1133 . 2 1 1 A 91 91 SER HA H 91 4.860 5.150 -0.290 1
1 1136 . 2 1 1 A 91 91 SER C C 91 175.171 173.308 1.863 1
1 1137 . 2 1 1 A 91 91 SER CA C 91 59.224 57.256 1.968 1
1 1138 . 2 1 1 A 91 91 SER CB C 91 64.094 63.258 0.836 1
1 1139 . 2 1 1 A 91 91 SER N N 91 114.043 121.259 -7.216 1
1 1140 . 2 1 1 A 92 92 SER H H 92 9.864 8.076 1.788 1
1 1141 . 2 1 1 A 92 92 SER HA H 92 6.204 5.066 1.138 1
1 1144 . 2 1 1 A 92 92 SER C C 92 171.748 174.038 -2.290 1
1 1145 . 2 1 1 A 92 92 SER CA C 92 58.818 59.435 -0.617 1
1 1146 . 2 1 1 A 92 92 SER CB C 92 66.419 64.066 2.353 1
1 1147 . 2 1 1 A 92 92 SER N N 92 125.442 121.643 3.799 1
1 1148 . 2 1 1 A 93 93 GLN H H 93 8.873 8.687 0.186 1
1 1149 . 2 1 1 A 93 93 GLN HA H 93 5.048 4.961 0.087 1
1 1156 . 2 1 1 A 93 93 GLN C C 93 174.145 174.516 -0.371 1
1 1157 . 2 1 1 A 93 93 GLN CA C 93 54.262 54.557 -0.295 1
1 1158 . 2 1 1 A 93 93 GLN CB C 93 33.131 32.294 0.837 1
1 1160 . 2 1 1 A 93 93 GLN N N 93 117.328 122.136 -4.808 1
1 1162 . 2 1 1 A 94 94 THR H H 94 8.846 8.582 0.264 1
1 1163 . 2 1 1 A 94 94 THR HA H 94 3.979 4.598 -0.619 1
1 1168 . 2 1 1 A 94 94 THR C C 94 174.677 174.601 0.076 1
1 1169 . 2 1 1 A 94 94 THR CA C 94 64.467 62.612 1.855 1
1 1170 . 2 1 1 A 94 94 THR CB C 94 68.894 69.049 -0.155 1
1 1172 . 2 1 1 A 94 94 THR N N 94 116.526 112.978 3.548 1
1 1173 . 2 1 1 A 95 95 ALA H H 95 8.188 8.597 -0.409 1
1 1174 . 2 1 1 A 95 95 ALA HA H 95 4.161 4.345 -0.184 1
1 1178 . 2 1 1 A 95 95 ALA C C 95 176.285 177.908 -1.623 1
1 1179 . 2 1 1 A 95 95 ALA CA C 95 51.847 52.285 -0.438 1
1 1180 . 2 1 1 A 95 95 ALA CB C 95 18.999 20.478 -1.479 1
1 1181 . 2 1 1 A 95 95 ALA N N 95 126.311 128.625 -2.314 1
1 1182 . 2 1 1 A 96 96 GLN H H 96 8.324 8.653 -0.329 1
1 1183 . 2 1 1 A 96 96 GLN HA H 96 4.175 4.254 -0.079 1
1 1190 . 2 1 1 A 96 96 GLN C C 96 176.230 175.626 0.604 1
1 1191 . 2 1 1 A 96 96 GLN CA C 96 54.621 57.799 -3.178 1
1 1192 . 2 1 1 A 96 96 GLN CB C 96 30.003 28.738 1.265 1
1 1194 . 2 1 1 A 96 96 GLN N N 96 116.920 119.167 -2.247 1
1 1196 . 2 1 1 A 97 97 ASN H H 97 8.512 7.659 0.853 1
1 1197 . 2 1 1 A 97 97 ASN HA H 97 4.436 4.836 -0.400 1
1 1200 . 2 1 1 A 97 97 ASN CA C 97 52.928 50.032 2.896 1
1 1201 . 2 1 1 A 97 97 ASN CB C 97 37.851 41.906 -4.055 1
1 1202 . 2 1 1 A 97 97 ASN N N 97 119.656 113.737 5.919 1
1 1203 . 2 1 1 A 98 98 PRO HA H 98 4.566 4.362 0.204 1
1 1210 . 2 1 1 A 98 98 PRO C C 98 175.164 176.065 -0.901 1
1 1211 . 2 1 1 A 98 98 PRO CA C 98 63.824 63.517 0.307 1
1 1212 . 2 1 1 A 98 98 PRO CB C 98 32.473 32.762 -0.289 1
1 1215 . 2 1 1 A 99 99 TYR H H 99 8.780 7.237 1.543 1
1 1216 . 2 1 1 A 99 99 TYR HA H 99 4.996 4.684 0.312 1
1 1223 . 2 1 1 A 99 99 TYR C C 99 176.421 176.304 0.117 1
1 1224 . 2 1 1 A 99 99 TYR CA C 99 55.837 58.024 -2.187 1
1 1225 . 2 1 1 A 99 99 TYR CB C 99 37.199 37.777 -0.578 1
1 1230 . 2 1 1 A 99 99 TYR N N 99 127.975 119.556 8.419 1
1 1231 . 2 1 1 A 100 100 SER H H 100 7.655 8.046 -0.391 1
1 1232 . 2 1 1 A 100 100 SER HA H 100 4.274 4.355 -0.081 1
1 1235 . 2 1 1 A 100 100 SER C C 100 174.144 176.356 -2.212 1
1 1236 . 2 1 1 A 100 100 SER CA C 100 60.567 61.515 -0.948 1
1 1237 . 2 1 1 A 100 100 SER CB C 100 63.266 62.891 0.375 1
1 1238 . 2 1 1 A 100 100 SER N N 100 113.164 117.586 -4.422 1
1 1239 . 2 1 1 A 101 101 ASP H H 101 8.736 8.206 0.530 1
1 1240 . 2 1 1 A 101 101 ASP HA H 101 4.688 4.523 0.165 1
1 1243 . 2 1 1 A 101 101 ASP C C 101 175.535 176.610 -1.075 1
1 1244 . 2 1 1 A 101 101 ASP CA C 101 54.103 56.402 -2.299 1
1 1245 . 2 1 1 A 101 101 ASP CB C 101 40.098 40.564 -0.466 1
1 1246 . 2 1 1 A 101 101 ASP N N 101 118.476 120.518 -2.042 1
1 1247 . 2 1 1 A 102 102 GLU H H 102 8.127 8.357 -0.230 1
1 1248 . 2 1 1 A 102 102 GLU HA H 102 4.448 4.701 -0.253 1
1 1253 . 2 1 1 A 102 102 GLU CA C 102 54.963 55.465 -0.502 1
1 1254 . 2 1 1 A 102 102 GLU CB C 102 31.769 31.469 0.300 1
1 1256 . 2 1 1 A 102 102 GLU N N 102 119.744 117.906 1.838 1
1 1257 . 2 1 1 A 103 103 ILE H H 103 8.645 8.520 0.125 1
1 1258 . 2 1 1 A 103 103 ILE HA H 103 4.001 4.711 -0.710 1
1 1268 . 2 1 1 A 103 103 ILE C C 103 174.065 174.580 -0.515 1
1 1269 . 2 1 1 A 103 103 ILE CA C 103 60.418 60.831 -0.413 1
1 1270 . 2 1 1 A 103 103 ILE CB C 103 40.781 40.630 0.151 1
1 1274 . 2 1 1 A 103 103 ILE N N 103 121.388 120.769 0.619 1
1 1275 . 2 1 1 A 104 104 GLU H H 104 8.957 9.104 -0.147 1
1 1276 . 2 1 1 A 104 104 GLU HA H 104 5.099 4.558 0.541 1
1 1281 . 2 1 1 A 104 104 GLU C C 104 175.093 175.293 -0.200 1
1 1282 . 2 1 1 A 104 104 GLU CA C 104 54.898 56.224 -1.326 1
1 1283 . 2 1 1 A 104 104 GLU CB C 104 32.330 30.094 2.236 1
1 1285 . 2 1 1 A 104 104 GLU N N 104 125.935 128.527 -2.592 1
1 1286 . 2 1 1 A 105 105 THR H H 105 8.774 8.781 -0.007 1
1 1287 . 2 1 1 A 105 105 THR HA H 105 5.226 5.101 0.125 1
1 1292 . 2 1 1 A 105 105 THR C C 105 174.876 173.734 1.142 1
1 1293 . 2 1 1 A 105 105 THR CA C 105 61.469 62.203 -0.734 1
1 1294 . 2 1 1 A 105 105 THR CB C 105 70.382 69.949 0.433 1
1 1296 . 2 1 1 A 105 105 THR N N 105 127.200 121.373 5.827 1
1 1297 . 2 1 1 A 106 106 ILE H H 106 9.186 8.948 0.238 1
1 1298 . 2 1 1 A 106 106 ILE HA H 106 4.486 4.599 -0.113 1
1 1308 . 2 1 1 A 106 106 ILE C C 106 175.412 175.232 0.180 1
1 1309 . 2 1 1 A 106 106 ILE CA C 106 61.423 60.481 0.942 1
1 1310 . 2 1 1 A 106 106 ILE CB C 106 38.432 37.663 0.769 1
1 1313 . 2 1 1 A 106 106 ILE N N 106 107.991 128.455 -20.464 1
1 1314 . 2 1 1 A 107 107 ILE H H 107 8.431 8.264 0.167 1
1 1315 . 2 1 1 A 107 107 ILE HA H 107 4.239 4.433 -0.194 1
1 1325 . 2 1 1 A 107 107 ILE C C 107 173.805 174.667 -0.862 1
1 1326 . 2 1 1 A 107 107 ILE CA C 107 61.459 60.762 0.697 1
1 1327 . 2 1 1 A 107 107 ILE CB C 107 37.499 36.982 0.517 1
1 1331 . 2 1 1 A 107 107 ILE N N 107 129.202 128.436 0.766 1
1 1332 . 2 1 1 A 108 108 CYS H H 108 8.581 9.161 -0.580 1
1 1333 . 2 1 1 A 108 108 CYS HA H 108 5.298 5.051 0.247 1
1 1336 . 2 1 1 A 108 108 CYS C C 108 174.235 173.879 0.356 1
1 1337 . 2 1 1 A 108 108 CYS CA C 108 55.861 56.906 -1.045 1
1 1338 . 2 1 1 A 108 108 CYS CB C 108 31.110 30.896 0.214 1
1 1339 . 2 1 1 A 108 108 CYS N N 108 124.561 127.973 -3.412 1
1 1340 . 2 1 1 A 109 109 THR H H 109 8.701 8.840 -0.139 1
1 1341 . 2 1 1 A 109 109 THR HA H 109 4.733 4.497 0.236 1
1 1346 . 2 1 1 A 109 109 THR C C 109 174.927 174.319 0.608 1
1 1347 . 2 1 1 A 109 109 THR CA C 109 63.466 62.372 1.094 1
1 1348 . 2 1 1 A 109 109 THR CB C 109 69.636 69.747 -0.111 1
1 1350 . 2 1 1 A 109 109 THR N N 109 119.017 117.575 1.442 1
1 1351 . 2 1 1 A 110 110 ASN H H 110 8.527 9.132 -0.605 1
1 1352 . 2 1 1 A 110 110 ASN HA H 110 4.891 4.894 -0.003 1
1 1357 . 2 1 1 A 110 110 ASN C C 110 174.829 174.651 0.178 1
1 1358 . 2 1 1 A 110 110 ASN CA C 110 53.104 54.493 -1.389 1
1 1359 . 2 1 1 A 110 110 ASN CB C 110 39.813 41.227 -1.414 1
1 1360 . 2 1 1 A 110 110 ASN N N 110 122.861 121.923 0.938 1
1 1362 . 2 1 1 A 111 111 THR H H 111 8.159 7.354 0.805 1
1 1363 . 2 1 1 A 111 111 THR HA H 111 4.407 4.630 -0.223 1
1 1368 . 2 1 1 A 111 111 THR C C 111 174.189 173.255 0.934 1
1 1369 . 2 1 1 A 111 111 THR CA C 111 61.900 61.578 0.322 1
1 1370 . 2 1 1 A 111 111 THR CB C 111 69.400 70.446 -1.046 1
1 1372 . 2 1 1 A 111 111 THR N N 111 114.879 113.810 1.069 1
1 1373 . 2 1 1 A 112 112 ASN H H 112 8.359 9.209 -0.850 1
1 1374 . 2 1 1 A 112 112 ASN N N 112 121.000 123.912 -2.912 1
1 1375 . 2 1 1 A 117 117 SER C C 117 174.242 175.793 -1.551 1
1 1376 . 2 1 1 A 117 117 SER CA C 117 58.557 58.161 0.396 1
1 1377 . 2 1 1 A 117 117 SER CB C 117 63.729 64.325 -0.596 1
1 1378 . 2 1 1 A 118 118 GLN H H 118 8.304 8.694 -0.390 1
1 1379 . 2 1 1 A 118 118 GLN C C 118 174.889 176.435 -1.546 1
1 1380 . 2 1 1 A 118 118 GLN CA C 118 55.764 58.839 -3.075 1
1 1381 . 2 1 1 A 118 118 GLN CB C 118 29.659 28.750 0.909 1
1 1382 . 2 1 1 A 118 118 GLN N N 118 122.171 122.724 -0.553 1
1 1 . 3 1 1 A 2 2 ALA HA H 2 4.298 4.586 -0.288 1
1 5 . 3 1 1 A 2 2 ALA CA C 2 53.448 53.240 0.208 1
1 6 . 3 1 1 A 2 2 ALA CB C 2 19.236 20.960 -1.724 1
1 7 . 3 1 1 A 3 3 MET H H 3 8.518 8.258 0.260 1
1 12 . 3 1 1 A 3 3 MET N N 3 117.762 115.682 2.080 1
1 13 . 3 1 1 A 4 4 ASP CA C 4 54.632 55.980 -1.348 1
1 14 . 3 1 1 A 4 4 ASP CB C 4 41.102 42.301 -1.199 1
1 15 . 3 1 1 A 5 5 ASN H H 5 8.332 8.257 0.075 1
1 18 . 3 1 1 A 5 5 ASN CA C 5 53.361 54.575 -1.214 1
1 19 . 3 1 1 A 5 5 ASN CB C 5 38.775 37.516 1.259 1
1 20 . 3 1 1 A 5 5 ASN N N 5 118.200 116.012 2.188 1
1 22 . 3 1 1 A 6 6 VAL H H 6 7.939 8.430 -0.491 1
1 23 . 3 1 1 A 6 6 VAL HA H 6 4.142 4.658 -0.516 1
1 31 . 3 1 1 A 6 6 VAL CA C 6 62.634 59.748 2.886 1
1 32 . 3 1 1 A 6 6 VAL CB C 6 32.598 34.417 -1.819 1
1 35 . 3 1 1 A 6 6 VAL N N 6 120.396 119.486 0.910 1
1 36 . 3 1 1 A 7 7 CYS H H 7 8.304 8.841 -0.537 1
1 37 . 3 1 1 A 7 7 CYS CA C 7 56.095 61.746 -5.651 1
1 38 . 3 1 1 A 7 7 CYS CB C 7 32.967 27.541 5.426 1
1 39 . 3 1 1 A 7 7 CYS N N 7 124.774 120.095 4.679 1
1 40 . 3 1 1 A 9 9 PRO HA H 9 4.547 4.748 -0.201 1
1 46 . 3 1 1 A 9 9 PRO C C 9 176.493 175.713 0.780 1
1 47 . 3 1 1 A 9 9 PRO CA C 9 63.142 62.368 0.774 1
1 48 . 3 1 1 A 9 9 PRO CB C 9 32.554 33.095 -0.541 1
1 51 . 3 1 1 A 10 10 THR H H 10 8.368 8.729 -0.361 1
1 52 . 3 1 1 A 10 10 THR HA H 10 4.418 4.473 -0.055 1
1 57 . 3 1 1 A 10 10 THR C C 10 172.743 173.629 -0.886 1
1 58 . 3 1 1 A 10 10 THR CA C 10 61.197 62.927 -1.730 1
1 59 . 3 1 1 A 10 10 THR CB C 10 69.660 71.433 -1.773 1
1 61 . 3 1 1 A 10 10 THR N N 10 112.513 113.725 -1.212 1
1 62 . 3 1 1 A 11 11 GLU H H 11 7.813 7.921 -0.108 1
1 63 . 3 1 1 A 11 11 GLU HA H 11 5.549 5.094 0.455 1
1 68 . 3 1 1 A 11 11 GLU C C 11 173.062 174.068 -1.006 1
1 69 . 3 1 1 A 11 11 GLU CA C 11 53.855 55.532 -1.677 1
1 70 . 3 1 1 A 11 11 GLU CB C 11 33.820 32.792 1.028 1
1 72 . 3 1 1 A 11 11 GLU N N 11 119.491 116.360 3.131 1
1 73 . 3 1 1 A 12 12 PHE H H 12 8.198 8.799 -0.601 1
1 74 . 3 1 1 A 12 12 PHE HA H 12 5.014 5.848 -0.834 1
1 82 . 3 1 1 A 12 12 PHE C C 12 171.976 173.572 -1.596 1
1 83 . 3 1 1 A 12 12 PHE CA C 12 55.597 55.307 0.290 1
1 84 . 3 1 1 A 12 12 PHE CB C 12 42.384 42.110 0.274 1
1 90 . 3 1 1 A 12 12 PHE N N 12 111.146 117.193 -6.047 1
1 91 . 3 1 1 A 13 13 ILE H H 13 8.655 8.522 0.133 1
1 92 . 3 1 1 A 13 13 ILE HA H 13 4.165 4.412 -0.247 1
1 102 . 3 1 1 A 13 13 ILE C C 13 173.432 174.910 -1.478 1
1 103 . 3 1 1 A 13 13 ILE CA C 13 62.270 61.940 0.330 1
1 104 . 3 1 1 A 13 13 ILE CB C 13 39.957 36.820 3.137 1
1 108 . 3 1 1 A 13 13 ILE N N 13 121.427 124.636 -3.209 1
1 109 . 3 1 1 A 14 14 SER H H 14 8.034 8.981 -0.947 1
1 110 . 3 1 1 A 14 14 SER HA H 14 5.588 5.176 0.412 1
1 113 . 3 1 1 A 14 14 SER C C 14 173.429 173.596 -0.167 1
1 114 . 3 1 1 A 14 14 SER CA C 14 56.650 56.502 0.148 1
1 115 . 3 1 1 A 14 14 SER CB C 14 70.177 64.962 5.215 1
1 116 . 3 1 1 A 14 14 SER N N 14 121.358 123.422 -2.064 1
1 117 . 3 1 1 A 15 15 ARG H H 15 9.545 8.880 0.665 1
1 118 . 3 1 1 A 15 15 ARG HA H 15 5.826 4.801 1.025 1
1 126 . 3 1 1 A 15 15 ARG C C 15 176.042 175.668 0.374 1
1 127 . 3 1 1 A 15 15 ARG CA C 15 55.105 55.548 -0.443 1
1 128 . 3 1 1 A 15 15 ARG CB C 15 35.587 32.486 3.101 1
1 131 . 3 1 1 A 15 15 ARG N N 15 118.317 127.116 -8.799 1
1 133 . 3 1 1 A 16 16 HIS H H 16 8.730 8.255 0.475 1
1 134 . 3 1 1 A 16 16 HIS HA H 16 5.555 5.494 0.061 1
1 141 . 3 1 1 A 16 16 HIS C C 16 174.062 173.075 0.987 1
1 142 . 3 1 1 A 16 16 HIS CA C 16 54.057 54.657 -0.600 1
1 143 . 3 1 1 A 16 16 HIS CB C 16 31.334 31.280 0.054 1
1 146 . 3 1 1 A 16 16 HIS N N 16 117.425 116.815 0.610 1
1 148 . 3 1 1 A 17 17 ASN H H 17 8.201 8.637 -0.436 1
1 149 . 3 1 1 A 17 17 ASN HA H 17 4.897 4.944 -0.047 1
1 154 . 3 1 1 A 17 17 ASN C C 17 178.263 175.656 2.607 1
1 155 . 3 1 1 A 17 17 ASN CA C 17 51.104 51.644 -0.540 1
1 156 . 3 1 1 A 17 17 ASN CB C 17 38.469 39.059 -0.590 1
1 157 . 3 1 1 A 17 17 ASN N N 17 116.276 117.909 -1.633 1
1 159 . 3 1 1 A 18 18 ILE H H 18 8.774 8.811 -0.037 1
1 160 . 3 1 1 A 18 18 ILE HA H 18 3.795 3.910 -0.115 1
1 170 . 3 1 1 A 18 18 ILE C C 18 174.851 177.753 -2.902 1
1 171 . 3 1 1 A 18 18 ILE CA C 18 64.399 64.129 0.270 1
1 172 . 3 1 1 A 18 18 ILE CB C 18 38.072 37.868 0.204 1
1 176 . 3 1 1 A 18 18 ILE N N 18 120.001 120.208 -0.207 1
1 177 . 3 1 1 A 19 19 GLU H H 19 7.213 7.824 -0.611 1
1 178 . 3 1 1 A 19 19 GLU HA H 19 4.225 4.114 0.111 1
1 183 . 3 1 1 A 19 19 GLU CA C 19 57.145 56.810 0.335 1
1 184 . 3 1 1 A 19 19 GLU CB C 19 29.878 29.788 0.090 1
1 186 . 3 1 1 A 19 19 GLU N N 19 116.538 119.905 -3.367 1
1 187 . 3 1 1 A 20 20 GLY H H 20 7.845 7.840 0.005 1
1 188 . 3 1 1 A 20 20 GLY HA2 H 20 4.878 2.746 2.132 1
1 189 . 3 1 1 A 20 20 GLY HA3 H 20 2.886 3.612 -0.726 1
1 190 . 3 1 1 A 20 20 GLY C C 20 172.992 174.072 -1.080 1
1 191 . 3 1 1 A 20 20 GLY CA C 20 44.049 44.267 -0.218 1
1 192 . 3 1 1 A 20 20 GLY N N 20 104.883 106.130 -1.247 1
1 193 . 3 1 1 A 21 21 ILE H H 21 7.841 7.569 0.272 1
1 194 . 3 1 1 A 21 21 ILE HA H 21 3.995 3.859 0.136 1
1 204 . 3 1 1 A 21 21 ILE C C 21 176.915 175.482 1.433 1
1 205 . 3 1 1 A 21 21 ILE CA C 21 60.302 61.669 -1.367 1
1 206 . 3 1 1 A 21 21 ILE CB C 21 36.111 38.057 -1.946 1
1 210 . 3 1 1 A 21 21 ILE N N 21 120.855 122.694 -1.839 1
1 211 . 3 1 1 A 22 22 PHE H H 22 8.896 8.613 0.283 1
1 212 . 3 1 1 A 22 22 PHE HA H 22 5.052 5.028 0.024 1
1 220 . 3 1 1 A 22 22 PHE C C 22 177.971 176.252 1.719 1
1 221 . 3 1 1 A 22 22 PHE CA C 22 59.625 58.847 0.778 1
1 222 . 3 1 1 A 22 22 PHE CB C 22 39.984 39.117 0.867 1
1 228 . 3 1 1 A 22 22 PHE N N 22 125.849 128.556 -2.707 1
1 229 . 3 1 1 A 23 23 THR H H 23 9.771 8.909 0.862 1
1 230 . 3 1 1 A 23 23 THR HA H 23 4.403 4.514 -0.111 1
1 235 . 3 1 1 A 23 23 THR C C 23 175.589 174.568 1.021 1
1 236 . 3 1 1 A 23 23 THR CA C 23 61.611 62.280 -0.669 1
1 237 . 3 1 1 A 23 23 THR CB C 23 69.193 69.217 -0.024 1
1 239 . 3 1 1 A 23 23 THR N N 23 117.677 115.447 2.230 1
1 240 . 3 1 1 A 24 24 PHE H H 24 7.948 7.431 0.517 1
1 241 . 3 1 1 A 24 24 PHE HA H 24 4.483 4.803 -0.320 1
1 249 . 3 1 1 A 24 24 PHE C C 24 173.376 173.320 0.056 1
1 250 . 3 1 1 A 24 24 PHE CA C 24 59.142 58.297 0.845 1
1 251 . 3 1 1 A 24 24 PHE CB C 24 42.161 42.392 -0.231 1
1 257 . 3 1 1 A 24 24 PHE N N 24 123.378 121.243 2.135 1
1 258 . 3 1 1 A 25 25 VAL H H 25 7.340 7.368 -0.028 1
1 259 . 3 1 1 A 25 25 VAL HA H 25 4.166 4.314 -0.148 1
1 267 . 3 1 1 A 25 25 VAL C C 25 173.103 173.595 -0.492 1
1 268 . 3 1 1 A 25 25 VAL CA C 25 61.539 60.413 1.126 1
1 269 . 3 1 1 A 25 25 VAL CB C 25 35.683 35.084 0.599 1
1 272 . 3 1 1 A 25 25 VAL N N 25 124.777 123.609 1.168 1
1 273 . 3 1 1 A 26 26 ASP H H 26 7.942 8.467 -0.525 1
1 274 . 3 1 1 A 26 26 ASP HA H 26 4.466 4.534 -0.068 1
1 277 . 3 1 1 A 26 26 ASP C C 26 175.258 177.283 -2.025 1
1 278 . 3 1 1 A 26 26 ASP CA C 26 53.318 54.490 -1.172 1
1 279 . 3 1 1 A 26 26 ASP CB C 26 42.461 42.283 0.178 1
1 280 . 3 1 1 A 26 26 ASP N N 26 125.573 126.535 -0.962 1
1 281 . 3 1 1 A 27 27 HIS H H 27 8.115 8.906 -0.791 1
1 282 . 3 1 1 A 27 27 HIS HA H 27 4.222 4.162 0.060 1
1 286 . 3 1 1 A 27 27 HIS C C 27 177.268 176.399 0.869 1
1 287 . 3 1 1 A 27 27 HIS CA C 27 59.164 58.620 0.544 1
1 288 . 3 1 1 A 27 27 HIS CB C 27 30.374 29.245 1.129 1
1 290 . 3 1 1 A 27 27 HIS N N 27 117.576 123.532 -5.956 1
1 291 . 3 1 1 A 28 28 ARG H H 28 8.724 7.809 0.915 1
1 292 . 3 1 1 A 28 28 ARG HA H 28 4.210 3.746 0.464 1
1 300 . 3 1 1 A 28 28 ARG C C 28 177.838 179.183 -1.345 1
1 301 . 3 1 1 A 28 28 ARG CA C 28 58.199 59.084 -0.885 1
1 302 . 3 1 1 A 28 28 ARG CB C 28 29.815 29.436 0.379 1
1 305 . 3 1 1 A 28 28 ARG N N 28 122.414 120.521 1.893 1
1 307 . 3 1 1 A 29 29 CYS H H 29 8.102 8.227 -0.125 1
1 308 . 3 1 1 A 29 29 CYS HA H 29 3.124 3.184 -0.060 1
1 311 . 3 1 1 A 29 29 CYS C C 29 175.551 176.906 -1.355 1
1 312 . 3 1 1 A 29 29 CYS CA C 29 59.988 60.888 -0.900 1
1 313 . 3 1 1 A 29 29 CYS CB C 29 25.101 26.088 -0.987 1
1 314 . 3 1 1 A 29 29 CYS N N 29 119.987 117.618 2.369 1
1 315 . 3 1 1 A 30 30 VAL H H 30 7.139 7.096 0.043 1
1 316 . 3 1 1 A 30 30 VAL HA H 30 3.373 3.679 -0.306 1
1 324 . 3 1 1 A 30 30 VAL C C 30 178.225 178.009 0.216 1
1 325 . 3 1 1 A 30 30 VAL CA C 30 65.903 64.314 1.589 1
1 326 . 3 1 1 A 30 30 VAL CB C 30 31.446 31.521 -0.075 1
1 329 . 3 1 1 A 30 30 VAL N N 30 125.016 119.164 5.852 1
1 330 . 3 1 1 A 31 31 ALA H H 31 7.393 7.829 -0.436 1
1 331 . 3 1 1 A 31 31 ALA HA H 31 4.126 4.093 0.033 1
1 335 . 3 1 1 A 31 31 ALA C C 31 178.111 179.997 -1.886 1
1 336 . 3 1 1 A 31 31 ALA CA C 31 53.715 54.518 -0.803 1
1 337 . 3 1 1 A 31 31 ALA CB C 31 19.223 18.504 0.719 1
1 338 . 3 1 1 A 31 31 ALA N N 31 120.554 124.372 -3.818 1
1 339 . 3 1 1 A 32 32 THR H H 32 7.253 7.787 -0.534 1
1 340 . 3 1 1 A 32 32 THR HA H 32 4.116 4.044 0.072 1
1 345 . 3 1 1 A 32 32 THR C C 32 175.655 176.028 -0.373 1
1 346 . 3 1 1 A 32 32 THR CA C 32 64.727 65.819 -1.092 1
1 347 . 3 1 1 A 32 32 THR CB C 32 69.144 69.271 -0.127 1
1 349 . 3 1 1 A 32 32 THR N N 32 109.150 113.835 -4.685 1
1 350 . 3 1 1 A 33 33 VAL H H 33 7.939 7.701 0.238 1
1 351 . 3 1 1 A 33 33 VAL HA H 33 4.504 4.625 -0.121 1
1 359 . 3 1 1 A 33 33 VAL C C 33 175.594 176.258 -0.664 1
1 360 . 3 1 1 A 33 33 VAL CA C 33 60.596 60.512 0.084 1
1 361 . 3 1 1 A 33 33 VAL CB C 33 34.900 31.474 3.426 1
1 364 . 3 1 1 A 33 33 VAL N N 33 108.519 113.162 -4.643 1
1 365 . 3 1 1 A 34 34 GLY H H 34 7.439 7.829 -0.390 1
1 366 . 3 1 1 A 34 34 GLY HA2 H 34 4.099 3.687 0.412 1
1 367 . 3 1 1 A 34 34 GLY HA3 H 34 3.846 3.792 0.054 1
1 368 . 3 1 1 A 34 34 GLY C C 34 173.655 173.575 0.080 1
1 369 . 3 1 1 A 34 34 GLY CA C 34 46.538 45.354 1.184 1
1 370 . 3 1 1 A 34 34 GLY N N 34 109.672 110.220 -0.548 1
1 371 . 3 1 1 A 35 35 TYR H H 35 6.215 7.445 -1.230 1
1 372 . 3 1 1 A 35 35 TYR HA H 35 4.415 4.419 -0.004 1
1 379 . 3 1 1 A 35 35 TYR C C 35 174.492 175.277 -0.785 1
1 380 . 3 1 1 A 35 35 TYR CA C 35 57.289 59.038 -1.749 1
1 381 . 3 1 1 A 35 35 TYR CB C 35 40.784 37.983 2.801 1
1 386 . 3 1 1 A 35 35 TYR N N 35 117.067 119.986 -2.919 1
1 387 . 3 1 1 A 36 36 GLN H H 36 9.145 8.577 0.568 1
1 388 . 3 1 1 A 36 36 GLN HA H 36 4.285 4.230 0.055 1
1 393 . 3 1 1 A 36 36 GLN CA C 36 53.760 54.698 -0.938 1
1 394 . 3 1 1 A 36 36 GLN CB C 36 27.558 28.483 -0.925 1
1 396 . 3 1 1 A 36 36 GLN N N 36 117.664 123.956 -6.292 1
1 397 . 3 1 1 A 37 37 PRO HA H 37 3.755 4.039 -0.284 1
1 404 . 3 1 1 A 37 37 PRO C C 37 178.629 178.156 0.473 1
1 405 . 3 1 1 A 37 37 PRO CA C 37 66.415 65.780 0.635 1
1 406 . 3 1 1 A 37 37 PRO CB C 37 31.313 31.684 -0.371 1
1 409 . 3 1 1 A 38 38 GLN H H 38 8.870 8.787 0.083 1
1 410 . 3 1 1 A 38 38 GLN HA H 38 3.996 4.058 -0.062 1
1 415 . 3 1 1 A 38 38 GLN C C 38 177.121 177.941 -0.820 1
1 416 . 3 1 1 A 38 38 GLN CA C 38 58.468 58.989 -0.521 1
1 417 . 3 1 1 A 38 38 GLN CB C 38 27.259 27.730 -0.471 1
1 419 . 3 1 1 A 38 38 GLN N N 38 113.031 115.345 -2.314 1
1 420 . 3 1 1 A 39 39 GLU H H 39 7.799 7.935 -0.136 1
1 421 . 3 1 1 A 39 39 GLU HA H 39 4.203 4.243 -0.040 1
1 426 . 3 1 1 A 39 39 GLU C C 39 175.485 177.545 -2.060 1
1 427 . 3 1 1 A 39 39 GLU CA C 39 57.598 58.595 -0.997 1
1 428 . 3 1 1 A 39 39 GLU CB C 39 30.955 29.631 1.324 1
1 430 . 3 1 1 A 39 39 GLU N N 39 117.366 119.621 -2.255 1
1 431 . 3 1 1 A 40 40 LEU H H 40 7.001 7.290 -0.289 1
1 432 . 3 1 1 A 40 40 LEU HA H 40 4.205 4.544 -0.339 1
1 442 . 3 1 1 A 40 40 LEU C C 40 176.417 177.340 -0.923 1
1 443 . 3 1 1 A 40 40 LEU CA C 40 55.345 55.744 -0.399 1
1 444 . 3 1 1 A 40 40 LEU CB C 40 43.190 43.514 -0.324 1
1 448 . 3 1 1 A 40 40 LEU N N 40 116.615 118.189 -1.574 1
1 449 . 3 1 1 A 41 41 LEU H H 41 7.521 7.919 -0.398 1
1 450 . 3 1 1 A 41 41 LEU HA H 41 3.678 4.291 -0.613 1
1 460 . 3 1 1 A 41 41 LEU C C 41 177.754 177.963 -0.209 1
1 461 . 3 1 1 A 41 41 LEU CA C 41 57.050 57.308 -0.258 1
1 462 . 3 1 1 A 41 41 LEU CB C 41 42.155 41.631 0.524 1
1 466 . 3 1 1 A 41 41 LEU N N 41 117.814 120.843 -3.029 1
1 467 . 3 1 1 A 42 42 GLY H H 42 8.535 9.313 -0.778 1
1 468 . 3 1 1 A 42 42 GLY HA2 H 42 4.328 4.014 0.314 1
1 469 . 3 1 1 A 42 42 GLY HA3 H 42 3.601 4.014 -0.413 1
1 470 . 3 1 1 A 42 42 GLY C C 42 173.808 173.777 0.031 1
1 471 . 3 1 1 A 42 42 GLY CA C 42 45.689 45.329 0.360 1
1 472 . 3 1 1 A 42 42 GLY N N 42 110.496 111.937 -1.441 1
1 473 . 3 1 1 A 43 43 LYS H H 43 8.398 8.135 0.263 1
1 474 . 3 1 1 A 43 43 LYS HA H 43 4.680 4.580 0.100 1
1 483 . 3 1 1 A 43 43 LYS C C 43 173.943 175.509 -1.566 1
1 484 . 3 1 1 A 43 43 LYS CA C 43 54.361 54.668 -0.307 1
1 485 . 3 1 1 A 43 43 LYS CB C 43 33.960 34.179 -0.219 1
1 489 . 3 1 1 A 43 43 LYS N N 43 120.461 120.773 -0.312 1
1 490 . 3 1 1 A 44 44 ASN H H 44 8.892 8.275 0.617 1
1 491 . 3 1 1 A 44 44 ASN HA H 44 4.690 4.618 0.072 1
1 496 . 3 1 1 A 44 44 ASN C C 44 176.922 175.720 1.202 1
1 497 . 3 1 1 A 44 44 ASN CA C 44 52.256 53.274 -1.018 1
1 498 . 3 1 1 A 44 44 ASN CB C 44 40.451 39.660 0.791 1
1 499 . 3 1 1 A 44 44 ASN N N 44 119.869 122.026 -2.157 1
1 501 . 3 1 1 A 45 45 ILE H H 45 8.543 8.277 0.266 1
1 502 . 3 1 1 A 45 45 ILE HA H 45 3.887 3.638 0.249 1
1 511 . 3 1 1 A 45 45 ILE C C 45 176.137 177.035 -0.898 1
1 512 . 3 1 1 A 45 45 ILE CA C 45 65.116 64.123 0.993 1
1 513 . 3 1 1 A 45 45 ILE CB C 45 36.637 37.410 -0.773 1
1 517 . 3 1 1 A 45 45 ILE N N 45 129.131 127.527 1.604 1
1 518 . 3 1 1 A 46 46 VAL H H 46 9.059 7.379 1.680 1
1 519 . 3 1 1 A 46 46 VAL HA H 46 3.439 3.743 -0.304 1
1 527 . 3 1 1 A 46 46 VAL C C 46 178.407 178.239 0.168 1
1 528 . 3 1 1 A 46 46 VAL CA C 46 65.705 65.340 0.365 1
1 529 . 3 1 1 A 46 46 VAL CB C 46 31.022 31.162 -0.140 1
1 532 . 3 1 1 A 46 46 VAL N N 46 118.981 117.719 1.262 1
1 533 . 3 1 1 A 47 47 GLU H H 47 7.923 8.344 -0.421 1
1 534 . 3 1 1 A 47 47 GLU HA H 47 3.989 3.917 0.072 1
1 539 . 3 1 1 A 47 47 GLU C C 47 177.664 178.228 -0.564 1
1 540 . 3 1 1 A 47 47 GLU CA C 47 57.999 59.006 -1.007 1
1 541 . 3 1 1 A 47 47 GLU CB C 47 28.849 28.943 -0.094 1
1 543 . 3 1 1 A 47 47 GLU N N 47 117.733 121.710 -3.977 1
1 544 . 3 1 1 A 48 48 PHE H H 48 7.689 7.458 0.231 1
1 545 . 3 1 1 A 48 48 PHE HA H 48 4.177 4.245 -0.068 1
1 553 . 3 1 1 A 48 48 PHE C C 48 172.739 175.840 -3.101 1
1 554 . 3 1 1 A 48 48 PHE CA C 48 57.725 59.469 -1.744 1
1 555 . 3 1 1 A 48 48 PHE CB C 48 39.428 39.532 -0.104 1
1 561 . 3 1 1 A 48 48 PHE N N 48 117.768 115.255 2.513 1
1 562 . 3 1 1 A 49 49 CYS H H 49 7.413 7.331 0.082 1
1 563 . 3 1 1 A 49 49 CYS HA H 49 5.671 5.048 0.623 1
1 566 . 3 1 1 A 49 49 CYS CA C 49 56.429 60.041 -3.612 1
1 567 . 3 1 1 A 49 49 CYS CB C 49 28.747 28.123 0.624 1
1 568 . 3 1 1 A 49 49 CYS N N 49 119.705 118.178 1.527 1
1 569 . 3 1 1 A 50 50 HIS H H 50 8.640 8.617 0.023 1
1 570 . 3 1 1 A 50 50 HIS HA H 50 3.655 4.022 -0.367 1
1 574 . 3 1 1 A 50 50 HIS CA C 50 56.934 54.818 2.116 1
1 575 . 3 1 1 A 50 50 HIS CB C 50 32.071 30.244 1.827 1
1 577 . 3 1 1 A 50 50 HIS N N 50 134.180 124.835 9.345 1
1 578 . 3 1 1 A 51 51 PRO HA H 51 4.044 4.151 -0.107 1
1 584 . 3 1 1 A 51 51 PRO C C 51 179.121 178.877 0.244 1
1 585 . 3 1 1 A 51 51 PRO CA C 51 65.989 66.078 -0.089 1
1 586 . 3 1 1 A 51 51 PRO CB C 51 32.605 31.635 0.970 1
1 589 . 3 1 1 A 52 52 GLU H H 52 10.986 8.656 2.330 1
1 590 . 3 1 1 A 52 52 GLU HA H 52 4.125 4.128 -0.003 1
1 595 . 3 1 1 A 52 52 GLU C C 52 177.643 177.144 0.499 1
1 596 . 3 1 1 A 52 52 GLU CA C 52 58.522 58.966 -0.444 1
1 597 . 3 1 1 A 52 52 GLU CB C 52 29.347 28.910 0.437 1
1 599 . 3 1 1 A 52 52 GLU N N 52 119.351 117.749 1.602 1
1 600 . 3 1 1 A 53 53 ASP H H 53 8.203 8.100 0.103 1
1 601 . 3 1 1 A 53 53 ASP HA H 53 4.898 4.674 0.224 1
1 604 . 3 1 1 A 53 53 ASP C C 53 175.641 177.187 -1.546 1
1 605 . 3 1 1 A 53 53 ASP CA C 53 54.092 54.542 -0.450 1
1 606 . 3 1 1 A 53 53 ASP CB C 53 43.596 41.814 1.782 1
1 607 . 3 1 1 A 53 53 ASP N N 53 117.757 117.823 -0.066 1
1 608 . 3 1 1 A 54 54 GLN H H 54 6.922 7.914 -0.992 1
1 609 . 3 1 1 A 54 54 GLN HA H 54 3.985 3.961 0.024 1
1 616 . 3 1 1 A 54 54 GLN C C 54 177.417 178.865 -1.448 1
1 617 . 3 1 1 A 54 54 GLN CA C 54 60.084 58.910 1.174 1
1 618 . 3 1 1 A 54 54 GLN CB C 54 28.448 28.196 0.252 1
1 620 . 3 1 1 A 54 54 GLN N N 54 118.680 119.511 -0.831 1
1 622 . 3 1 1 A 55 55 GLN H H 55 8.663 7.969 0.694 1
1 623 . 3 1 1 A 55 55 GLN HA H 55 3.778 4.050 -0.272 1
1 630 . 3 1 1 A 55 55 GLN C C 55 177.398 178.132 -0.734 1
1 631 . 3 1 1 A 55 55 GLN CA C 55 58.812 58.568 0.244 1
1 632 . 3 1 1 A 55 55 GLN CB C 55 27.402 28.586 -1.184 1
1 634 . 3 1 1 A 55 55 GLN N N 55 119.173 119.981 -0.808 1
1 636 . 3 1 1 A 56 56 LEU H H 56 7.935 7.624 0.311 1
1 637 . 3 1 1 A 56 56 LEU HA H 56 4.071 4.086 -0.015 1
1 647 . 3 1 1 A 56 56 LEU C C 56 180.037 178.033 2.004 1
1 648 . 3 1 1 A 56 56 LEU CA C 56 57.698 57.420 0.278 1
1 649 . 3 1 1 A 56 56 LEU CB C 56 41.586 42.278 -0.692 1
1 653 . 3 1 1 A 56 56 LEU N N 56 119.661 120.664 -1.003 1
1 654 . 3 1 1 A 57 57 LEU H H 57 7.382 7.871 -0.489 1
1 655 . 3 1 1 A 57 57 LEU HA H 57 3.575 3.636 -0.061 1
1 665 . 3 1 1 A 57 57 LEU C C 57 178.470 178.211 0.259 1
1 666 . 3 1 1 A 57 57 LEU CA C 57 57.703 58.136 -0.433 1
1 667 . 3 1 1 A 57 57 LEU CB C 57 42.077 41.592 0.485 1
1 671 . 3 1 1 A 57 57 LEU N N 57 119.857 119.941 -0.084 1
1 672 . 3 1 1 A 58 58 ARG H H 58 8.118 8.600 -0.482 1
1 673 . 3 1 1 A 58 58 ARG HA H 58 3.338 3.868 -0.530 1
1 680 . 3 1 1 A 58 58 ARG C C 58 179.713 178.667 1.046 1
1 681 . 3 1 1 A 58 58 ARG CA C 58 60.120 59.664 0.456 1
1 682 . 3 1 1 A 58 58 ARG CB C 58 30.320 29.846 0.474 1
1 685 . 3 1 1 A 58 58 ARG N N 58 118.198 117.864 0.334 1
1 686 . 3 1 1 A 59 59 ASP H H 59 8.748 8.005 0.743 1
1 687 . 3 1 1 A 59 59 ASP HA H 59 4.336 4.274 0.062 1
1 690 . 3 1 1 A 59 59 ASP C C 59 179.130 177.597 1.533 1
1 691 . 3 1 1 A 59 59 ASP CA C 59 57.197 57.568 -0.371 1
1 692 . 3 1 1 A 59 59 ASP CB C 59 40.212 41.825 -1.613 1
1 693 . 3 1 1 A 59 59 ASP N N 59 119.165 119.855 -0.690 1
1 694 . 3 1 1 A 60 60 SER H H 60 7.552 7.902 -0.350 1
1 695 . 3 1 1 A 60 60 SER HA H 60 4.116 4.014 0.102 1
1 698 . 3 1 1 A 60 60 SER C C 60 175.883 177.647 -1.764 1
1 699 . 3 1 1 A 60 60 SER CA C 60 61.975 61.312 0.663 1
1 700 . 3 1 1 A 60 60 SER CB C 60 63.098 62.438 0.660 1
1 701 . 3 1 1 A 60 60 SER N N 60 117.761 113.970 3.791 1
1 702 . 3 1 1 A 61 61 PHE H H 61 7.063 7.439 -0.376 1
1 703 . 3 1 1 A 61 61 PHE HA H 61 4.614 4.398 0.216 1
1 711 . 3 1 1 A 61 61 PHE C C 61 177.561 178.404 -0.843 1
1 712 . 3 1 1 A 61 61 PHE CA C 61 56.777 61.833 -5.056 1
1 713 . 3 1 1 A 61 61 PHE CB C 61 36.564 38.312 -1.748 1
1 719 . 3 1 1 A 61 61 PHE N N 61 122.009 119.567 2.442 1
1 720 . 3 1 1 A 62 62 GLN H H 62 7.376 8.347 -0.971 1
1 721 . 3 1 1 A 62 62 GLN HA H 62 4.038 4.015 0.023 1
1 726 . 3 1 1 A 62 62 GLN C C 62 179.093 178.795 0.298 1
1 727 . 3 1 1 A 62 62 GLN CA C 62 58.240 59.263 -1.023 1
1 728 . 3 1 1 A 62 62 GLN CB C 62 28.094 28.420 -0.326 1
1 730 . 3 1 1 A 62 62 GLN N N 62 114.929 118.565 -3.636 1
1 731 . 3 1 1 A 63 63 GLN H H 63 7.893 7.832 0.061 1
1 732 . 3 1 1 A 63 63 GLN HA H 63 4.083 4.202 -0.119 1
1 737 . 3 1 1 A 63 63 GLN C C 63 178.244 178.592 -0.348 1
1 738 . 3 1 1 A 63 63 GLN CA C 63 58.408 58.254 0.154 1
1 739 . 3 1 1 A 63 63 GLN CB C 63 28.755 28.690 0.065 1
1 741 . 3 1 1 A 63 63 GLN N N 63 117.434 119.924 -2.490 1
1 742 . 3 1 1 A 64 64 VAL H H 64 8.220 8.193 0.027 1
1 743 . 3 1 1 A 64 64 VAL HA H 64 3.663 4.141 -0.478 1
1 751 . 3 1 1 A 64 64 VAL C C 64 177.137 178.052 -0.915 1
1 752 . 3 1 1 A 64 64 VAL CA C 64 66.107 65.571 0.536 1
1 753 . 3 1 1 A 64 64 VAL CB C 64 31.475 31.569 -0.094 1
1 756 . 3 1 1 A 64 64 VAL N N 64 118.766 117.047 1.719 1
1 757 . 3 1 1 A 65 65 VAL H H 65 6.860 7.603 -0.743 1
1 758 . 3 1 1 A 65 65 VAL HA H 65 3.833 3.904 -0.071 1
1 766 . 3 1 1 A 65 65 VAL C C 65 177.624 177.998 -0.374 1
1 767 . 3 1 1 A 65 65 VAL CA C 65 64.200 64.787 -0.587 1
1 768 . 3 1 1 A 65 65 VAL CB C 65 31.730 31.799 -0.069 1
1 771 . 3 1 1 A 65 65 VAL N N 65 112.590 122.317 -9.727 1
1 772 . 3 1 1 A 66 66 LYS H H 66 7.431 7.809 -0.378 1
1 773 . 3 1 1 A 66 66 LYS HA H 66 4.184 3.979 0.205 1
1 782 . 3 1 1 A 66 66 LYS C C 66 177.374 178.259 -0.885 1
1 783 . 3 1 1 A 66 66 LYS CA C 66 58.190 59.951 -1.761 1
1 784 . 3 1 1 A 66 66 LYS CB C 66 33.232 32.192 1.040 1
1 788 . 3 1 1 A 66 66 LYS N N 66 119.643 122.228 -2.585 1
1 789 . 3 1 1 A 67 67 LEU H H 67 7.859 8.141 -0.282 1
1 790 . 3 1 1 A 67 67 LEU HA H 67 4.552 4.318 0.234 1
1 800 . 3 1 1 A 67 67 LEU C C 67 175.532 176.042 -0.510 1
1 801 . 3 1 1 A 67 67 LEU CA C 67 53.108 55.241 -2.133 1
1 802 . 3 1 1 A 67 67 LEU CB C 67 40.979 41.742 -0.763 1
1 806 . 3 1 1 A 67 67 LEU N N 67 121.288 118.233 3.055 1
1 807 . 3 1 1 A 68 68 LYS H H 68 7.475 8.184 -0.709 1
1 808 . 3 1 1 A 68 68 LYS HA H 68 4.156 4.230 -0.074 1
1 817 . 3 1 1 A 68 68 LYS C C 68 177.987 175.725 2.262 1
1 818 . 3 1 1 A 68 68 LYS CA C 68 58.388 57.261 1.127 1
1 819 . 3 1 1 A 68 68 LYS CB C 68 32.207 31.651 0.556 1
1 823 . 3 1 1 A 68 68 LYS N N 68 119.626 118.752 0.874 1
1 824 . 3 1 1 A 69 69 GLY H H 69 8.696 8.237 0.459 1
1 825 . 3 1 1 A 69 69 GLY HA2 H 69 4.294 4.046 0.248 1
1 826 . 3 1 1 A 69 69 GLY HA3 H 69 3.896 4.050 -0.154 1
1 827 . 3 1 1 A 69 69 GLY CA C 69 45.335 45.200 0.135 1
1 828 . 3 1 1 A 69 69 GLY N N 69 113.681 111.032 2.649 1
1 829 . 3 1 1 A 70 70 GLN H H 70 8.031 7.925 0.106 1
1 830 . 3 1 1 A 70 70 GLN HA H 70 4.508 4.268 0.240 1
1 835 . 3 1 1 A 70 70 GLN C C 70 174.684 175.100 -0.416 1
1 836 . 3 1 1 A 70 70 GLN CA C 70 55.347 56.492 -1.145 1
1 837 . 3 1 1 A 70 70 GLN CB C 70 30.111 29.395 0.716 1
1 839 . 3 1 1 A 70 70 GLN N N 70 119.949 121.929 -1.980 1
1 840 . 3 1 1 A 71 71 VAL H H 71 8.232 8.404 -0.172 1
1 841 . 3 1 1 A 71 71 VAL HA H 71 4.822 4.586 0.236 1
1 849 . 3 1 1 A 71 71 VAL C C 71 176.406 174.766 1.640 1
1 850 . 3 1 1 A 71 71 VAL CA C 71 61.198 62.383 -1.185 1
1 851 . 3 1 1 A 71 71 VAL CB C 71 32.964 32.839 0.125 1
1 854 . 3 1 1 A 71 71 VAL N N 71 121.816 126.759 -4.943 1
1 855 . 3 1 1 A 72 72 LEU H H 72 9.052 9.336 -0.284 1
1 856 . 3 1 1 A 72 72 LEU HA H 72 4.827 5.220 -0.393 1
1 865 . 3 1 1 A 72 72 LEU C C 72 175.411 175.496 -0.085 1
1 866 . 3 1 1 A 72 72 LEU CA C 72 52.895 53.350 -0.455 1
1 867 . 3 1 1 A 72 72 LEU CB C 72 44.755 45.133 -0.378 1
1 870 . 3 1 1 A 72 72 LEU N N 72 130.331 130.019 0.312 1
1 871 . 3 1 1 A 73 73 SER H H 73 8.057 9.078 -1.021 1
1 872 . 3 1 1 A 73 73 SER HA H 73 5.211 5.758 -0.547 1
1 875 . 3 1 1 A 73 73 SER C C 73 174.562 173.143 1.419 1
1 876 . 3 1 1 A 73 73 SER CA C 73 56.591 56.715 -0.124 1
1 877 . 3 1 1 A 73 73 SER CB C 73 66.336 64.940 1.396 1
1 878 . 3 1 1 A 73 73 SER N N 73 113.040 119.104 -6.064 1
1 879 . 3 1 1 A 74 74 VAL H H 74 8.799 8.710 0.089 1
1 880 . 3 1 1 A 74 74 VAL HA H 74 4.705 4.973 -0.268 1
1 888 . 3 1 1 A 74 74 VAL C C 74 174.122 174.009 0.113 1
1 889 . 3 1 1 A 74 74 VAL CA C 74 59.403 59.479 -0.076 1
1 890 . 3 1 1 A 74 74 VAL CB C 74 35.474 35.841 -0.367 1
1 893 . 3 1 1 A 74 74 VAL N N 74 122.721 121.890 0.831 1
1 894 . 3 1 1 A 75 75 MET H H 75 8.195 8.803 -0.608 1
1 895 . 3 1 1 A 75 75 MET HA H 75 5.922 6.060 -0.138 1
1 903 . 3 1 1 A 75 75 MET C C 75 175.531 175.651 -0.120 1
1 904 . 3 1 1 A 75 75 MET CA C 75 54.021 54.016 0.005 1
1 905 . 3 1 1 A 75 75 MET CB C 75 34.750 34.114 0.636 1
1 908 . 3 1 1 A 75 75 MET N N 75 120.057 123.687 -3.630 1
1 909 . 3 1 1 A 76 76 PHE H H 76 9.394 9.084 0.310 1
1 910 . 3 1 1 A 76 76 PHE HA H 76 5.004 5.140 -0.136 1
1 918 . 3 1 1 A 76 76 PHE C C 76 171.623 172.263 -0.640 1
1 919 . 3 1 1 A 76 76 PHE CA C 76 55.802 55.492 0.310 1
1 920 . 3 1 1 A 76 76 PHE CB C 76 42.072 41.952 0.120 1
1 926 . 3 1 1 A 76 76 PHE N N 76 120.244 119.984 0.260 1
1 927 . 3 1 1 A 77 77 ARG H H 77 8.783 8.290 0.493 1
1 928 . 3 1 1 A 77 77 ARG HA H 77 4.420 4.225 0.195 1
1 936 . 3 1 1 A 77 77 ARG C C 77 173.455 174.522 -1.067 1
1 937 . 3 1 1 A 77 77 ARG CA C 77 54.218 55.063 -0.845 1
1 938 . 3 1 1 A 77 77 ARG CB C 77 32.439 30.360 2.079 1
1 941 . 3 1 1 A 77 77 ARG N N 77 121.379 118.884 2.495 1
1 943 . 3 1 1 A 78 78 PHE H H 78 9.258 9.245 0.013 1
1 944 . 3 1 1 A 78 78 PHE HA H 78 5.438 5.228 0.210 1
1 952 . 3 1 1 A 78 78 PHE C C 78 175.873 174.512 1.361 1
1 953 . 3 1 1 A 78 78 PHE CA C 78 55.173 56.921 -1.748 1
1 954 . 3 1 1 A 78 78 PHE CB C 78 44.530 39.937 4.593 1
1 960 . 3 1 1 A 78 78 PHE N N 78 128.097 126.225 1.872 1
1 961 . 3 1 1 A 79 79 ARG H H 79 9.242 8.910 0.332 1
1 962 . 3 1 1 A 79 79 ARG HA H 79 4.201 4.595 -0.394 1
1 969 . 3 1 1 A 79 79 ARG C C 79 175.316 176.425 -1.109 1
1 970 . 3 1 1 A 79 79 ARG CA C 79 55.255 56.681 -1.426 1
1 971 . 3 1 1 A 79 79 ARG CB C 79 29.358 30.385 -1.027 1
1 974 . 3 1 1 A 79 79 ARG N N 79 129.898 130.326 -0.428 1
1 975 . 3 1 1 A 80 80 SER H H 80 9.253 8.763 0.490 1
1 976 . 3 1 1 A 80 80 SER HA H 80 4.772 5.083 -0.311 1
1 979 . 3 1 1 A 80 80 SER C C 80 174.983 175.822 -0.839 1
1 980 . 3 1 1 A 80 80 SER CA C 80 58.191 58.098 0.093 1
1 981 . 3 1 1 A 80 80 SER CB C 80 64.930 64.703 0.227 1
1 982 . 3 1 1 A 80 80 SER N N 80 128.002 123.965 4.037 1
1 983 . 3 1 1 A 81 81 LYS H H 81 8.065 8.857 -0.792 1
1 984 . 3 1 1 A 81 81 LYS HA H 81 3.675 3.585 0.090 1
1 993 . 3 1 1 A 81 81 LYS C C 81 177.417 177.448 -0.031 1
1 994 . 3 1 1 A 81 81 LYS CA C 81 59.236 58.698 0.538 1
1 995 . 3 1 1 A 81 81 LYS CB C 81 31.641 32.005 -0.364 1
1 999 . 3 1 1 A 81 81 LYS N N 81 123.505 123.698 -0.193 1
1 1000 . 3 1 1 A 82 82 ASN H H 82 7.934 7.804 0.130 1
1 1001 . 3 1 1 A 82 82 ASN HA H 82 4.679 4.594 0.085 1
1 1006 . 3 1 1 A 82 82 ASN C C 82 173.949 174.783 -0.834 1
1 1007 . 3 1 1 A 82 82 ASN CA C 82 52.764 52.231 0.533 1
1 1008 . 3 1 1 A 82 82 ASN CB C 82 37.428 37.517 -0.089 1
1 1009 . 3 1 1 A 82 82 ASN N N 82 115.202 113.682 1.520 1
1 1011 . 3 1 1 A 83 83 GLN H H 83 8.099 8.227 -0.128 1
1 1012 . 3 1 1 A 83 83 GLN HA H 83 3.382 3.765 -0.383 1
1 1019 . 3 1 1 A 83 83 GLN C C 83 174.208 173.986 0.222 1
1 1020 . 3 1 1 A 83 83 GLN CA C 83 56.400 56.901 -0.501 1
1 1021 . 3 1 1 A 83 83 GLN CB C 83 25.003 26.140 -1.137 1
1 1023 . 3 1 1 A 83 83 GLN N N 83 112.357 114.245 -1.888 1
1 1025 . 3 1 1 A 84 84 GLU H H 84 7.385 7.602 -0.217 1
1 1026 . 3 1 1 A 84 84 GLU HA H 84 4.322 4.719 -0.397 1
1 1031 . 3 1 1 A 84 84 GLU CA C 84 54.720 54.752 -0.032 1
1 1032 . 3 1 1 A 84 84 GLU CB C 84 31.713 32.427 -0.714 1
1 1034 . 3 1 1 A 84 84 GLU N N 84 117.557 116.888 0.669 1
1 1035 . 3 1 1 A 85 85 TRP H H 85 8.645 8.749 -0.104 1
1 1036 . 3 1 1 A 85 85 TRP HA H 85 5.145 4.798 0.347 1
1 1045 . 3 1 1 A 85 85 TRP C C 85 175.772 175.737 0.035 1
1 1046 . 3 1 1 A 85 85 TRP CA C 85 55.591 57.124 -1.533 1
1 1047 . 3 1 1 A 85 85 TRP CB C 85 30.113 28.252 1.861 1
1 1053 . 3 1 1 A 85 85 TRP N N 85 121.388 123.262 -1.874 1
1 1055 . 3 1 1 A 86 86 LEU H H 86 9.348 8.879 0.469 1
1 1056 . 3 1 1 A 86 86 LEU HA H 86 4.847 4.804 0.043 1
1 1066 . 3 1 1 A 86 86 LEU C C 86 176.991 176.314 0.677 1
1 1067 . 3 1 1 A 86 86 LEU CA C 86 53.102 54.017 -0.915 1
1 1068 . 3 1 1 A 86 86 LEU CB C 86 44.527 41.607 2.920 1
1 1071 . 3 1 1 A 86 86 LEU N N 86 126.537 125.963 0.574 1
1 1072 . 3 1 1 A 87 87 TRP H H 87 8.870 8.885 -0.015 1
1 1073 . 3 1 1 A 87 87 TRP HA H 87 4.465 4.973 -0.508 1
1 1082 . 3 1 1 A 87 87 TRP C C 87 175.731 176.932 -1.201 1
1 1083 . 3 1 1 A 87 87 TRP CA C 87 59.207 58.569 0.638 1
1 1084 . 3 1 1 A 87 87 TRP CB C 87 29.736 30.325 -0.589 1
1 1090 . 3 1 1 A 87 87 TRP N N 87 123.902 126.784 -2.882 1
1 1092 . 3 1 1 A 88 88 MET H H 88 9.432 9.110 0.322 1
1 1093 . 3 1 1 A 88 88 MET HA H 88 5.267 5.530 -0.263 1
1 1101 . 3 1 1 A 88 88 MET C C 88 174.713 174.166 0.547 1
1 1102 . 3 1 1 A 88 88 MET CA C 88 52.557 54.314 -1.757 1
1 1103 . 3 1 1 A 88 88 MET CB C 88 36.139 37.394 -1.255 1
1 1106 . 3 1 1 A 88 88 MET N N 88 123.412 121.382 2.030 1
1 1107 . 3 1 1 A 89 89 ARG H H 89 9.282 9.002 0.280 1
1 1108 . 3 1 1 A 89 89 ARG HA H 89 5.702 5.212 0.490 1
1 1115 . 3 1 1 A 89 89 ARG C C 89 177.137 175.718 1.419 1
1 1116 . 3 1 1 A 89 89 ARG CA C 89 54.266 54.711 -0.445 1
1 1117 . 3 1 1 A 89 89 ARG CB C 89 34.404 32.177 2.227 1
1 1120 . 3 1 1 A 89 89 ARG N N 89 119.570 121.261 -1.691 1
1 1121 . 3 1 1 A 90 90 THR H H 90 9.298 9.147 0.151 1
1 1122 . 3 1 1 A 90 90 THR HA H 90 5.625 5.273 0.352 1
1 1127 . 3 1 1 A 90 90 THR C C 90 176.787 174.452 2.335 1
1 1128 . 3 1 1 A 90 90 THR CA C 90 60.327 60.478 -0.151 1
1 1129 . 3 1 1 A 90 90 THR CB C 90 72.187 70.393 1.794 1
1 1131 . 3 1 1 A 90 90 THR N N 90 115.133 117.730 -2.597 1
1 1132 . 3 1 1 A 91 91 SER H H 91 8.194 8.762 -0.568 1
1 1133 . 3 1 1 A 91 91 SER HA H 91 4.860 5.113 -0.253 1
1 1136 . 3 1 1 A 91 91 SER C C 91 175.171 173.253 1.918 1
1 1137 . 3 1 1 A 91 91 SER CA C 91 59.224 57.225 1.999 1
1 1138 . 3 1 1 A 91 91 SER CB C 91 64.094 63.543 0.551 1
1 1139 . 3 1 1 A 91 91 SER N N 91 114.043 121.216 -7.173 1
1 1140 . 3 1 1 A 92 92 SER H H 92 9.864 7.992 1.872 1
1 1141 . 3 1 1 A 92 92 SER HA H 92 6.204 5.014 1.190 1
1 1144 . 3 1 1 A 92 92 SER C C 92 171.748 174.041 -2.293 1
1 1145 . 3 1 1 A 92 92 SER CA C 92 58.818 59.665 -0.847 1
1 1146 . 3 1 1 A 92 92 SER CB C 92 66.419 64.003 2.416 1
1 1147 . 3 1 1 A 92 92 SER N N 92 125.442 121.561 3.881 1
1 1148 . 3 1 1 A 93 93 GLN H H 93 8.873 8.683 0.190 1
1 1149 . 3 1 1 A 93 93 GLN HA H 93 5.048 5.026 0.022 1
1 1156 . 3 1 1 A 93 93 GLN C C 93 174.145 174.519 -0.374 1
1 1157 . 3 1 1 A 93 93 GLN CA C 93 54.262 54.502 -0.240 1
1 1158 . 3 1 1 A 93 93 GLN CB C 93 33.131 32.603 0.528 1
1 1160 . 3 1 1 A 93 93 GLN N N 93 117.328 122.215 -4.887 1
1 1162 . 3 1 1 A 94 94 THR H H 94 8.846 8.657 0.189 1
1 1163 . 3 1 1 A 94 94 THR HA H 94 3.979 4.607 -0.628 1
1 1168 . 3 1 1 A 94 94 THR C C 94 174.677 174.582 0.095 1
1 1169 . 3 1 1 A 94 94 THR CA C 94 64.467 62.618 1.849 1
1 1170 . 3 1 1 A 94 94 THR CB C 94 68.894 69.109 -0.215 1
1 1172 . 3 1 1 A 94 94 THR N N 94 116.526 113.179 3.347 1
1 1173 . 3 1 1 A 95 95 ALA H H 95 8.188 8.661 -0.473 1
1 1174 . 3 1 1 A 95 95 ALA HA H 95 4.161 4.342 -0.181 1
1 1178 . 3 1 1 A 95 95 ALA C C 95 176.285 177.991 -1.706 1
1 1179 . 3 1 1 A 95 95 ALA CA C 95 51.847 52.431 -0.584 1
1 1180 . 3 1 1 A 95 95 ALA CB C 95 18.999 20.253 -1.254 1
1 1181 . 3 1 1 A 95 95 ALA N N 95 126.311 128.583 -2.272 1
1 1182 . 3 1 1 A 96 96 GLN H H 96 8.324 8.637 -0.313 1
1 1183 . 3 1 1 A 96 96 GLN HA H 96 4.175 4.169 0.006 1
1 1190 . 3 1 1 A 96 96 GLN C C 96 176.230 175.988 0.242 1
1 1191 . 3 1 1 A 96 96 GLN CA C 96 54.621 57.717 -3.096 1
1 1192 . 3 1 1 A 96 96 GLN CB C 96 30.003 28.889 1.114 1
1 1194 . 3 1 1 A 96 96 GLN N N 96 116.920 119.321 -2.401 1
1 1196 . 3 1 1 A 97 97 ASN H H 97 8.512 7.703 0.809 1
1 1197 . 3 1 1 A 97 97 ASN HA H 97 4.436 4.716 -0.280 1
1 1200 . 3 1 1 A 97 97 ASN CA C 97 52.928 51.133 1.795 1
1 1201 . 3 1 1 A 97 97 ASN CB C 97 37.851 40.431 -2.580 1
1 1202 . 3 1 1 A 97 97 ASN N N 97 119.656 111.987 7.669 1
1 1203 . 3 1 1 A 98 98 PRO HA H 98 4.566 4.346 0.220 1
1 1210 . 3 1 1 A 98 98 PRO C C 98 175.164 175.705 -0.541 1
1 1211 . 3 1 1 A 98 98 PRO CA C 98 63.824 63.702 0.122 1
1 1212 . 3 1 1 A 98 98 PRO CB C 98 32.473 32.240 0.233 1
1 1215 . 3 1 1 A 99 99 TYR H H 99 8.780 7.197 1.583 1
1 1216 . 3 1 1 A 99 99 TYR HA H 99 4.996 4.722 0.274 1
1 1223 . 3 1 1 A 99 99 TYR C C 99 176.421 176.257 0.164 1
1 1224 . 3 1 1 A 99 99 TYR CA C 99 55.837 57.362 -1.525 1
1 1225 . 3 1 1 A 99 99 TYR CB C 99 37.199 38.007 -0.808 1
1 1230 . 3 1 1 A 99 99 TYR N N 99 127.975 119.012 8.963 1
1 1231 . 3 1 1 A 100 100 SER H H 100 7.655 8.064 -0.409 1
1 1232 . 3 1 1 A 100 100 SER HA H 100 4.274 4.489 -0.215 1
1 1235 . 3 1 1 A 100 100 SER C C 100 174.144 176.193 -2.049 1
1 1236 . 3 1 1 A 100 100 SER CA C 100 60.567 61.112 -0.545 1
1 1237 . 3 1 1 A 100 100 SER CB C 100 63.266 63.148 0.118 1
1 1238 . 3 1 1 A 100 100 SER N N 100 113.164 117.083 -3.919 1
1 1239 . 3 1 1 A 101 101 ASP H H 101 8.736 8.321 0.415 1
1 1240 . 3 1 1 A 101 101 ASP HA H 101 4.688 4.570 0.118 1
1 1243 . 3 1 1 A 101 101 ASP C C 101 175.535 176.612 -1.077 1
1 1244 . 3 1 1 A 101 101 ASP CA C 101 54.103 54.574 -0.471 1
1 1245 . 3 1 1 A 101 101 ASP CB C 101 40.098 39.910 0.188 1
1 1246 . 3 1 1 A 101 101 ASP N N 101 118.476 117.411 1.065 1
1 1247 . 3 1 1 A 102 102 GLU H H 102 8.127 8.401 -0.274 1
1 1248 . 3 1 1 A 102 102 GLU HA H 102 4.448 4.735 -0.287 1
1 1253 . 3 1 1 A 102 102 GLU CA C 102 54.963 55.387 -0.424 1
1 1254 . 3 1 1 A 102 102 GLU CB C 102 31.769 31.784 -0.015 1
1 1256 . 3 1 1 A 102 102 GLU N N 102 119.744 119.619 0.125 1
1 1257 . 3 1 1 A 103 103 ILE H H 103 8.645 8.481 0.164 1
1 1258 . 3 1 1 A 103 103 ILE HA H 103 4.001 4.722 -0.721 1
1 1268 . 3 1 1 A 103 103 ILE C C 103 174.065 174.551 -0.486 1
1 1269 . 3 1 1 A 103 103 ILE CA C 103 60.418 60.849 -0.431 1
1 1270 . 3 1 1 A 103 103 ILE CB C 103 40.781 40.803 -0.022 1
1 1274 . 3 1 1 A 103 103 ILE N N 103 121.388 120.448 0.940 1
1 1275 . 3 1 1 A 104 104 GLU H H 104 8.957 9.134 -0.177 1
1 1276 . 3 1 1 A 104 104 GLU HA H 104 5.099 4.562 0.537 1
1 1281 . 3 1 1 A 104 104 GLU C C 104 175.093 175.286 -0.193 1
1 1282 . 3 1 1 A 104 104 GLU CA C 104 54.898 56.111 -1.213 1
1 1283 . 3 1 1 A 104 104 GLU CB C 104 32.330 30.066 2.264 1
1 1285 . 3 1 1 A 104 104 GLU N N 104 125.935 128.447 -2.512 1
1 1286 . 3 1 1 A 105 105 THR H H 105 8.774 8.853 -0.079 1
1 1287 . 3 1 1 A 105 105 THR HA H 105 5.226 4.929 0.297 1
1 1292 . 3 1 1 A 105 105 THR C C 105 174.876 173.735 1.141 1
1 1293 . 3 1 1 A 105 105 THR CA C 105 61.469 62.237 -0.768 1
1 1294 . 3 1 1 A 105 105 THR CB C 105 70.382 69.922 0.460 1
1 1296 . 3 1 1 A 105 105 THR N N 105 127.200 121.223 5.977 1
1 1297 . 3 1 1 A 106 106 ILE H H 106 9.186 8.959 0.227 1
1 1298 . 3 1 1 A 106 106 ILE HA H 106 4.486 4.599 -0.113 1
1 1308 . 3 1 1 A 106 106 ILE C C 106 175.412 175.150 0.262 1
1 1309 . 3 1 1 A 106 106 ILE CA C 106 61.423 60.445 0.978 1
1 1310 . 3 1 1 A 106 106 ILE CB C 106 38.432 37.736 0.696 1
1 1313 . 3 1 1 A 106 106 ILE N N 106 107.991 128.458 -20.467 1
1 1314 . 3 1 1 A 107 107 ILE H H 107 8.431 8.275 0.156 1
1 1315 . 3 1 1 A 107 107 ILE HA H 107 4.239 4.432 -0.193 1
1 1325 . 3 1 1 A 107 107 ILE C C 107 173.805 174.648 -0.843 1
1 1326 . 3 1 1 A 107 107 ILE CA C 107 61.459 60.754 0.705 1
1 1327 . 3 1 1 A 107 107 ILE CB C 107 37.499 36.904 0.595 1
1 1331 . 3 1 1 A 107 107 ILE N N 107 129.202 128.495 0.707 1
1 1332 . 3 1 1 A 108 108 CYS H H 108 8.581 9.203 -0.622 1
1 1333 . 3 1 1 A 108 108 CYS HA H 108 5.298 5.046 0.252 1
1 1336 . 3 1 1 A 108 108 CYS C C 108 174.235 173.993 0.242 1
1 1337 . 3 1 1 A 108 108 CYS CA C 108 55.861 56.877 -1.016 1
1 1338 . 3 1 1 A 108 108 CYS CB C 108 31.110 30.842 0.268 1
1 1339 . 3 1 1 A 108 108 CYS N N 108 124.561 127.964 -3.403 1
1 1340 . 3 1 1 A 109 109 THR H H 109 8.701 8.806 -0.105 1
1 1341 . 3 1 1 A 109 109 THR HA H 109 4.733 4.499 0.234 1
1 1346 . 3 1 1 A 109 109 THR C C 109 174.927 174.450 0.477 1
1 1347 . 3 1 1 A 109 109 THR CA C 109 63.466 62.374 1.092 1
1 1348 . 3 1 1 A 109 109 THR CB C 109 69.636 69.737 -0.101 1
1 1350 . 3 1 1 A 109 109 THR N N 109 119.017 118.080 0.937 1
1 1351 . 3 1 1 A 110 110 ASN H H 110 8.527 9.161 -0.634 1
1 1352 . 3 1 1 A 110 110 ASN HA H 110 4.891 4.914 -0.023 1
1 1357 . 3 1 1 A 110 110 ASN C C 110 174.829 174.115 0.714 1
1 1358 . 3 1 1 A 110 110 ASN CA C 110 53.104 54.681 -1.577 1
1 1359 . 3 1 1 A 110 110 ASN CB C 110 39.813 40.682 -0.869 1
1 1360 . 3 1 1 A 110 110 ASN N N 110 122.861 122.439 0.422 1
1 1362 . 3 1 1 A 111 111 THR H H 111 8.159 8.170 -0.011 1
1 1363 . 3 1 1 A 111 111 THR HA H 111 4.407 4.855 -0.448 1
1 1368 . 3 1 1 A 111 111 THR C C 111 174.189 172.547 1.642 1
1 1369 . 3 1 1 A 111 111 THR CA C 111 61.900 59.768 2.132 1
1 1370 . 3 1 1 A 111 111 THR CB C 111 69.400 72.197 -2.797 1
1 1372 . 3 1 1 A 111 111 THR N N 111 114.879 112.608 2.271 1
1 1373 . 3 1 1 A 112 112 ASN H H 112 8.359 8.692 -0.333 1
1 1374 . 3 1 1 A 112 112 ASN N N 112 121.000 122.435 -1.435 1
1 1375 . 3 1 1 A 117 117 SER C C 117 174.242 172.969 1.273 1
1 1376 . 3 1 1 A 117 117 SER CA C 117 58.557 55.916 2.641 1
1 1377 . 3 1 1 A 117 117 SER CB C 117 63.729 65.621 -1.892 1
1 1378 . 3 1 1 A 118 118 GLN H H 118 8.304 8.330 -0.026 1
1 1379 . 3 1 1 A 118 118 GLN C C 118 174.889 175.615 -0.726 1
1 1380 . 3 1 1 A 118 118 GLN CA C 118 55.764 54.553 1.211 1
1 1381 . 3 1 1 A 118 118 GLN CB C 118 29.659 29.115 0.544 1
1 1382 . 3 1 1 A 118 118 GLN N N 118 122.171 121.029 1.142 1
1 1 . 4 1 1 A 2 2 ALA HA H 2 4.298 4.960 -0.662 1
1 5 . 4 1 1 A 2 2 ALA CA C 2 53.448 51.130 2.318 1
1 6 . 4 1 1 A 2 2 ALA CB C 2 19.236 22.787 -3.551 1
1 7 . 4 1 1 A 3 3 MET H H 3 8.518 8.760 -0.242 1
1 12 . 4 1 1 A 3 3 MET N N 3 117.762 120.951 -3.189 1
1 13 . 4 1 1 A 4 4 ASP CA C 4 54.632 52.906 1.726 1
1 14 . 4 1 1 A 4 4 ASP CB C 4 41.102 40.730 0.372 1
1 15 . 4 1 1 A 5 5 ASN H H 5 8.332 8.503 -0.171 1
1 18 . 4 1 1 A 5 5 ASN CA C 5 53.361 55.935 -2.574 1
1 19 . 4 1 1 A 5 5 ASN CB C 5 38.775 38.783 -0.008 1
1 20 . 4 1 1 A 5 5 ASN N N 5 118.200 120.626 -2.426 1
1 22 . 4 1 1 A 6 6 VAL H H 6 7.939 7.884 0.055 1
1 23 . 4 1 1 A 6 6 VAL HA H 6 4.142 4.538 -0.396 1
1 31 . 4 1 1 A 6 6 VAL CA C 6 62.634 58.845 3.789 1
1 32 . 4 1 1 A 6 6 VAL CB C 6 32.598 34.638 -2.040 1
1 35 . 4 1 1 A 6 6 VAL N N 6 120.396 113.614 6.782 1
1 36 . 4 1 1 A 7 7 CYS H H 7 8.304 8.759 -0.455 1
1 37 . 4 1 1 A 7 7 CYS CA C 7 56.095 61.592 -5.497 1
1 38 . 4 1 1 A 7 7 CYS CB C 7 32.967 28.156 4.811 1
1 39 . 4 1 1 A 7 7 CYS N N 7 124.774 121.104 3.670 1
1 40 . 4 1 1 A 9 9 PRO HA H 9 4.547 4.772 -0.225 1
1 46 . 4 1 1 A 9 9 PRO C C 9 176.493 175.724 0.769 1
1 47 . 4 1 1 A 9 9 PRO CA C 9 63.142 62.368 0.774 1
1 48 . 4 1 1 A 9 9 PRO CB C 9 32.554 33.173 -0.619 1
1 51 . 4 1 1 A 10 10 THR H H 10 8.368 8.738 -0.370 1
1 52 . 4 1 1 A 10 10 THR HA H 10 4.418 4.451 -0.033 1
1 57 . 4 1 1 A 10 10 THR C C 10 172.743 173.622 -0.879 1
1 58 . 4 1 1 A 10 10 THR CA C 10 61.197 62.924 -1.727 1
1 59 . 4 1 1 A 10 10 THR CB C 10 69.660 71.375 -1.715 1
1 61 . 4 1 1 A 10 10 THR N N 10 112.513 113.610 -1.097 1
1 62 . 4 1 1 A 11 11 GLU H H 11 7.813 7.922 -0.109 1
1 63 . 4 1 1 A 11 11 GLU HA H 11 5.549 5.103 0.446 1
1 68 . 4 1 1 A 11 11 GLU C C 11 173.062 174.072 -1.010 1
1 69 . 4 1 1 A 11 11 GLU CA C 11 53.855 55.513 -1.658 1
1 70 . 4 1 1 A 11 11 GLU CB C 11 33.820 32.789 1.031 1
1 72 . 4 1 1 A 11 11 GLU N N 11 119.491 116.368 3.123 1
1 73 . 4 1 1 A 12 12 PHE H H 12 8.198 8.776 -0.578 1
1 74 . 4 1 1 A 12 12 PHE HA H 12 5.014 5.841 -0.827 1
1 82 . 4 1 1 A 12 12 PHE C C 12 171.976 173.578 -1.602 1
1 83 . 4 1 1 A 12 12 PHE CA C 12 55.597 55.308 0.289 1
1 84 . 4 1 1 A 12 12 PHE CB C 12 42.384 42.107 0.277 1
1 90 . 4 1 1 A 12 12 PHE N N 12 111.146 117.842 -6.696 1
1 91 . 4 1 1 A 13 13 ILE H H 13 8.655 8.901 -0.246 1
1 92 . 4 1 1 A 13 13 ILE HA H 13 4.165 4.457 -0.292 1
1 102 . 4 1 1 A 13 13 ILE C C 13 173.432 174.990 -1.558 1
1 103 . 4 1 1 A 13 13 ILE CA C 13 62.270 61.986 0.284 1
1 104 . 4 1 1 A 13 13 ILE CB C 13 39.957 36.939 3.018 1
1 108 . 4 1 1 A 13 13 ILE N N 13 121.427 124.627 -3.200 1
1 109 . 4 1 1 A 14 14 SER H H 14 8.034 8.939 -0.905 1
1 110 . 4 1 1 A 14 14 SER HA H 14 5.588 5.135 0.453 1
1 113 . 4 1 1 A 14 14 SER C C 14 173.429 173.548 -0.119 1
1 114 . 4 1 1 A 14 14 SER CA C 14 56.650 56.486 0.164 1
1 115 . 4 1 1 A 14 14 SER CB C 14 70.177 64.903 5.274 1
1 116 . 4 1 1 A 14 14 SER N N 14 121.358 123.425 -2.067 1
1 117 . 4 1 1 A 15 15 ARG H H 15 9.545 8.923 0.622 1
1 118 . 4 1 1 A 15 15 ARG HA H 15 5.826 4.765 1.061 1
1 126 . 4 1 1 A 15 15 ARG C C 15 176.042 175.570 0.472 1
1 127 . 4 1 1 A 15 15 ARG CA C 15 55.105 55.370 -0.265 1
1 128 . 4 1 1 A 15 15 ARG CB C 15 35.587 32.405 3.182 1
1 131 . 4 1 1 A 15 15 ARG N N 15 118.317 127.282 -8.965 1
1 133 . 4 1 1 A 16 16 HIS H H 16 8.730 8.228 0.502 1
1 134 . 4 1 1 A 16 16 HIS HA H 16 5.555 5.425 0.130 1
1 141 . 4 1 1 A 16 16 HIS C C 16 174.062 172.949 1.113 1
1 142 . 4 1 1 A 16 16 HIS CA C 16 54.057 54.402 -0.345 1
1 143 . 4 1 1 A 16 16 HIS CB C 16 31.334 31.357 -0.023 1
1 146 . 4 1 1 A 16 16 HIS N N 16 117.425 117.090 0.335 1
1 148 . 4 1 1 A 17 17 ASN H H 17 8.201 8.778 -0.577 1
1 149 . 4 1 1 A 17 17 ASN HA H 17 4.897 4.896 0.001 1
1 154 . 4 1 1 A 17 17 ASN C C 17 178.263 175.650 2.613 1
1 155 . 4 1 1 A 17 17 ASN CA C 17 51.104 51.687 -0.583 1
1 156 . 4 1 1 A 17 17 ASN CB C 17 38.469 39.029 -0.560 1
1 157 . 4 1 1 A 17 17 ASN N N 17 116.276 117.901 -1.625 1
1 159 . 4 1 1 A 18 18 ILE H H 18 8.774 8.793 -0.019 1
1 160 . 4 1 1 A 18 18 ILE HA H 18 3.795 3.905 -0.110 1
1 170 . 4 1 1 A 18 18 ILE C C 18 174.851 177.741 -2.890 1
1 171 . 4 1 1 A 18 18 ILE CA C 18 64.399 64.055 0.344 1
1 172 . 4 1 1 A 18 18 ILE CB C 18 38.072 37.860 0.212 1
1 176 . 4 1 1 A 18 18 ILE N N 18 120.001 120.210 -0.209 1
1 177 . 4 1 1 A 19 19 GLU H H 19 7.213 7.826 -0.613 1
1 178 . 4 1 1 A 19 19 GLU HA H 19 4.225 4.113 0.112 1
1 183 . 4 1 1 A 19 19 GLU CA C 19 57.145 56.811 0.334 1
1 184 . 4 1 1 A 19 19 GLU CB C 19 29.878 29.787 0.091 1
1 186 . 4 1 1 A 19 19 GLU N N 19 116.538 119.901 -3.363 1
1 187 . 4 1 1 A 20 20 GLY H H 20 7.845 7.859 -0.014 1
1 188 . 4 1 1 A 20 20 GLY HA2 H 20 4.878 2.767 2.111 1
1 189 . 4 1 1 A 20 20 GLY HA3 H 20 2.886 3.626 -0.740 1
1 190 . 4 1 1 A 20 20 GLY C C 20 172.992 174.069 -1.077 1
1 191 . 4 1 1 A 20 20 GLY CA C 20 44.049 44.299 -0.250 1
1 192 . 4 1 1 A 20 20 GLY N N 20 104.883 106.144 -1.261 1
1 193 . 4 1 1 A 21 21 ILE H H 21 7.841 7.649 0.192 1
1 194 . 4 1 1 A 21 21 ILE HA H 21 3.995 4.074 -0.079 1
1 204 . 4 1 1 A 21 21 ILE C C 21 176.915 175.463 1.452 1
1 205 . 4 1 1 A 21 21 ILE CA C 21 60.302 61.832 -1.530 1
1 206 . 4 1 1 A 21 21 ILE CB C 21 36.111 38.081 -1.970 1
1 210 . 4 1 1 A 21 21 ILE N N 21 120.855 122.683 -1.828 1
1 211 . 4 1 1 A 22 22 PHE H H 22 8.896 8.620 0.276 1
1 212 . 4 1 1 A 22 22 PHE HA H 22 5.052 4.982 0.070 1
1 220 . 4 1 1 A 22 22 PHE C C 22 177.971 176.183 1.788 1
1 221 . 4 1 1 A 22 22 PHE CA C 22 59.625 58.762 0.863 1
1 222 . 4 1 1 A 22 22 PHE CB C 22 39.984 38.851 1.133 1
1 228 . 4 1 1 A 22 22 PHE N N 22 125.849 128.526 -2.677 1
1 229 . 4 1 1 A 23 23 THR H H 23 9.771 8.695 1.076 1
1 230 . 4 1 1 A 23 23 THR HA H 23 4.403 4.478 -0.075 1
1 235 . 4 1 1 A 23 23 THR C C 23 175.589 174.412 1.177 1
1 236 . 4 1 1 A 23 23 THR CA C 23 61.611 62.158 -0.547 1
1 237 . 4 1 1 A 23 23 THR CB C 23 69.193 69.060 0.133 1
1 239 . 4 1 1 A 23 23 THR N N 23 117.677 115.455 2.222 1
1 240 . 4 1 1 A 24 24 PHE H H 24 7.948 7.352 0.596 1
1 241 . 4 1 1 A 24 24 PHE HA H 24 4.483 4.764 -0.281 1
1 249 . 4 1 1 A 24 24 PHE C C 24 173.376 173.243 0.133 1
1 250 . 4 1 1 A 24 24 PHE CA C 24 59.142 58.189 0.953 1
1 251 . 4 1 1 A 24 24 PHE CB C 24 42.161 42.435 -0.274 1
1 257 . 4 1 1 A 24 24 PHE N N 24 123.378 121.120 2.258 1
1 258 . 4 1 1 A 25 25 VAL H H 25 7.340 7.423 -0.083 1
1 259 . 4 1 1 A 25 25 VAL HA H 25 4.166 4.294 -0.128 1
1 267 . 4 1 1 A 25 25 VAL C C 25 173.103 173.632 -0.529 1
1 268 . 4 1 1 A 25 25 VAL CA C 25 61.539 60.446 1.093 1
1 269 . 4 1 1 A 25 25 VAL CB C 25 35.683 35.003 0.680 1
1 272 . 4 1 1 A 25 25 VAL N N 25 124.777 123.830 0.947 1
1 273 . 4 1 1 A 26 26 ASP H H 26 7.942 8.460 -0.518 1
1 274 . 4 1 1 A 26 26 ASP HA H 26 4.466 4.530 -0.064 1
1 277 . 4 1 1 A 26 26 ASP C C 26 175.258 177.301 -2.043 1
1 278 . 4 1 1 A 26 26 ASP CA C 26 53.318 54.462 -1.144 1
1 279 . 4 1 1 A 26 26 ASP CB C 26 42.461 42.287 0.174 1
1 280 . 4 1 1 A 26 26 ASP N N 26 125.573 126.567 -0.994 1
1 281 . 4 1 1 A 27 27 HIS H H 27 8.115 8.947 -0.832 1
1 282 . 4 1 1 A 27 27 HIS HA H 27 4.222 4.108 0.114 1
1 286 . 4 1 1 A 27 27 HIS C C 27 177.268 176.421 0.847 1
1 287 . 4 1 1 A 27 27 HIS CA C 27 59.164 58.601 0.563 1
1 288 . 4 1 1 A 27 27 HIS CB C 27 30.374 29.235 1.139 1
1 290 . 4 1 1 A 27 27 HIS N N 27 117.576 123.619 -6.043 1
1 291 . 4 1 1 A 28 28 ARG H H 28 8.724 7.986 0.738 1
1 292 . 4 1 1 A 28 28 ARG HA H 28 4.210 3.720 0.490 1
1 300 . 4 1 1 A 28 28 ARG C C 28 177.838 179.208 -1.370 1
1 301 . 4 1 1 A 28 28 ARG CA C 28 58.199 59.224 -1.025 1
1 302 . 4 1 1 A 28 28 ARG CB C 28 29.815 29.463 0.352 1
1 305 . 4 1 1 A 28 28 ARG N N 28 122.414 120.590 1.824 1
1 307 . 4 1 1 A 29 29 CYS H H 29 8.102 8.248 -0.146 1
1 308 . 4 1 1 A 29 29 CYS HA H 29 3.124 3.132 -0.008 1
1 311 . 4 1 1 A 29 29 CYS C C 29 175.551 177.039 -1.488 1
1 312 . 4 1 1 A 29 29 CYS CA C 29 59.988 60.937 -0.949 1
1 313 . 4 1 1 A 29 29 CYS CB C 29 25.101 26.106 -1.005 1
1 314 . 4 1 1 A 29 29 CYS N N 29 119.987 117.449 2.538 1
1 315 . 4 1 1 A 30 30 VAL H H 30 7.139 7.108 0.031 1
1 316 . 4 1 1 A 30 30 VAL HA H 30 3.373 3.638 -0.265 1
1 324 . 4 1 1 A 30 30 VAL C C 30 178.225 178.013 0.212 1
1 325 . 4 1 1 A 30 30 VAL CA C 30 65.903 64.572 1.331 1
1 326 . 4 1 1 A 30 30 VAL CB C 30 31.446 31.535 -0.089 1
1 329 . 4 1 1 A 30 30 VAL N N 30 125.016 119.301 5.715 1
1 330 . 4 1 1 A 31 31 ALA H H 31 7.393 7.785 -0.392 1
1 331 . 4 1 1 A 31 31 ALA HA H 31 4.126 4.081 0.045 1
1 335 . 4 1 1 A 31 31 ALA C C 31 178.111 179.644 -1.533 1
1 336 . 4 1 1 A 31 31 ALA CA C 31 53.715 54.368 -0.653 1
1 337 . 4 1 1 A 31 31 ALA CB C 31 19.223 18.397 0.826 1
1 338 . 4 1 1 A 31 31 ALA N N 31 120.554 124.029 -3.475 1
1 339 . 4 1 1 A 32 32 THR H H 32 7.253 7.707 -0.454 1
1 340 . 4 1 1 A 32 32 THR HA H 32 4.116 4.067 0.049 1
1 345 . 4 1 1 A 32 32 THR C C 32 175.655 176.007 -0.352 1
1 346 . 4 1 1 A 32 32 THR CA C 32 64.727 65.273 -0.546 1
1 347 . 4 1 1 A 32 32 THR CB C 32 69.144 69.382 -0.238 1
1 349 . 4 1 1 A 32 32 THR N N 32 109.150 113.408 -4.258 1
1 350 . 4 1 1 A 33 33 VAL H H 33 7.939 7.723 0.216 1
1 351 . 4 1 1 A 33 33 VAL HA H 33 4.504 4.653 -0.149 1
1 359 . 4 1 1 A 33 33 VAL C C 33 175.594 176.262 -0.668 1
1 360 . 4 1 1 A 33 33 VAL CA C 33 60.596 60.502 0.094 1
1 361 . 4 1 1 A 33 33 VAL CB C 33 34.900 31.401 3.499 1
1 364 . 4 1 1 A 33 33 VAL N N 33 108.519 113.179 -4.660 1
1 365 . 4 1 1 A 34 34 GLY H H 34 7.439 7.785 -0.346 1
1 366 . 4 1 1 A 34 34 GLY HA2 H 34 4.099 3.689 0.410 1
1 367 . 4 1 1 A 34 34 GLY HA3 H 34 3.846 3.791 0.055 1
1 368 . 4 1 1 A 34 34 GLY C C 34 173.655 173.573 0.082 1
1 369 . 4 1 1 A 34 34 GLY CA C 34 46.538 45.407 1.131 1
1 370 . 4 1 1 A 34 34 GLY N N 34 109.672 110.206 -0.534 1
1 371 . 4 1 1 A 35 35 TYR H H 35 6.215 7.547 -1.332 1
1 372 . 4 1 1 A 35 35 TYR HA H 35 4.415 4.408 0.007 1
1 379 . 4 1 1 A 35 35 TYR C C 35 174.492 175.282 -0.790 1
1 380 . 4 1 1 A 35 35 TYR CA C 35 57.289 59.035 -1.746 1
1 381 . 4 1 1 A 35 35 TYR CB C 35 40.784 38.015 2.769 1
1 386 . 4 1 1 A 35 35 TYR N N 35 117.067 119.979 -2.912 1
1 387 . 4 1 1 A 36 36 GLN H H 36 9.145 8.670 0.475 1
1 388 . 4 1 1 A 36 36 GLN HA H 36 4.285 4.232 0.053 1
1 393 . 4 1 1 A 36 36 GLN CA C 36 53.760 54.621 -0.861 1
1 394 . 4 1 1 A 36 36 GLN CB C 36 27.558 28.457 -0.899 1
1 396 . 4 1 1 A 36 36 GLN N N 36 117.664 123.949 -6.285 1
1 397 . 4 1 1 A 37 37 PRO HA H 37 3.755 4.052 -0.297 1
1 404 . 4 1 1 A 37 37 PRO C C 37 178.629 178.195 0.434 1
1 405 . 4 1 1 A 37 37 PRO CA C 37 66.415 65.752 0.663 1
1 406 . 4 1 1 A 37 37 PRO CB C 37 31.313 31.698 -0.385 1
1 409 . 4 1 1 A 38 38 GLN H H 38 8.870 8.807 0.063 1
1 410 . 4 1 1 A 38 38 GLN HA H 38 3.996 4.072 -0.076 1
1 415 . 4 1 1 A 38 38 GLN C C 38 177.121 177.679 -0.558 1
1 416 . 4 1 1 A 38 38 GLN CA C 38 58.468 58.865 -0.397 1
1 417 . 4 1 1 A 38 38 GLN CB C 38 27.259 27.680 -0.421 1
1 419 . 4 1 1 A 38 38 GLN N N 38 113.031 115.352 -2.321 1
1 420 . 4 1 1 A 39 39 GLU H H 39 7.799 7.924 -0.125 1
1 421 . 4 1 1 A 39 39 GLU HA H 39 4.203 4.249 -0.046 1
1 426 . 4 1 1 A 39 39 GLU C C 39 175.485 177.479 -1.994 1
1 427 . 4 1 1 A 39 39 GLU CA C 39 57.598 58.551 -0.953 1
1 428 . 4 1 1 A 39 39 GLU CB C 39 30.955 29.673 1.282 1
1 430 . 4 1 1 A 39 39 GLU N N 39 117.366 119.787 -2.421 1
1 431 . 4 1 1 A 40 40 LEU H H 40 7.001 7.283 -0.282 1
1 432 . 4 1 1 A 40 40 LEU HA H 40 4.205 4.529 -0.324 1
1 442 . 4 1 1 A 40 40 LEU C C 40 176.417 177.322 -0.905 1
1 443 . 4 1 1 A 40 40 LEU CA C 40 55.345 55.728 -0.383 1
1 444 . 4 1 1 A 40 40 LEU CB C 40 43.190 43.501 -0.311 1
1 448 . 4 1 1 A 40 40 LEU N N 40 116.615 118.381 -1.766 1
1 449 . 4 1 1 A 41 41 LEU H H 41 7.521 7.909 -0.388 1
1 450 . 4 1 1 A 41 41 LEU HA H 41 3.678 4.396 -0.718 1
1 460 . 4 1 1 A 41 41 LEU C C 41 177.754 177.960 -0.206 1
1 461 . 4 1 1 A 41 41 LEU CA C 41 57.050 57.301 -0.251 1
1 462 . 4 1 1 A 41 41 LEU CB C 41 42.155 41.597 0.558 1
1 466 . 4 1 1 A 41 41 LEU N N 41 117.814 120.844 -3.030 1
1 467 . 4 1 1 A 42 42 GLY H H 42 8.535 9.329 -0.794 1
1 468 . 4 1 1 A 42 42 GLY HA2 H 42 4.328 4.006 0.322 1
1 469 . 4 1 1 A 42 42 GLY HA3 H 42 3.601 4.006 -0.405 1
1 470 . 4 1 1 A 42 42 GLY C C 42 173.808 173.747 0.061 1
1 471 . 4 1 1 A 42 42 GLY CA C 42 45.689 45.361 0.328 1
1 472 . 4 1 1 A 42 42 GLY N N 42 110.496 111.986 -1.490 1
1 473 . 4 1 1 A 43 43 LYS H H 43 8.398 8.183 0.215 1
1 474 . 4 1 1 A 43 43 LYS HA H 43 4.680 4.625 0.055 1
1 483 . 4 1 1 A 43 43 LYS C C 43 173.943 175.472 -1.529 1
1 484 . 4 1 1 A 43 43 LYS CA C 43 54.361 54.549 -0.188 1
1 485 . 4 1 1 A 43 43 LYS CB C 43 33.960 34.263 -0.303 1
1 489 . 4 1 1 A 43 43 LYS N N 43 120.461 120.689 -0.228 1
1 490 . 4 1 1 A 44 44 ASN H H 44 8.892 8.219 0.673 1
1 491 . 4 1 1 A 44 44 ASN HA H 44 4.690 4.604 0.086 1
1 496 . 4 1 1 A 44 44 ASN C C 44 176.922 175.653 1.269 1
1 497 . 4 1 1 A 44 44 ASN CA C 44 52.256 53.215 -0.959 1
1 498 . 4 1 1 A 44 44 ASN CB C 44 40.451 39.628 0.823 1
1 499 . 4 1 1 A 44 44 ASN N N 44 119.869 121.861 -1.992 1
1 501 . 4 1 1 A 45 45 ILE H H 45 8.543 8.230 0.313 1
1 502 . 4 1 1 A 45 45 ILE HA H 45 3.887 3.645 0.242 1
1 511 . 4 1 1 A 45 45 ILE C C 45 176.137 177.069 -0.932 1
1 512 . 4 1 1 A 45 45 ILE CA C 45 65.116 64.125 0.991 1
1 513 . 4 1 1 A 45 45 ILE CB C 45 36.637 37.505 -0.868 1
1 517 . 4 1 1 A 45 45 ILE N N 45 129.131 127.527 1.604 1
1 518 . 4 1 1 A 46 46 VAL H H 46 9.059 7.352 1.707 1
1 519 . 4 1 1 A 46 46 VAL HA H 46 3.439 3.760 -0.321 1
1 527 . 4 1 1 A 46 46 VAL C C 46 178.407 178.164 0.243 1
1 528 . 4 1 1 A 46 46 VAL CA C 46 65.705 65.378 0.327 1
1 529 . 4 1 1 A 46 46 VAL CB C 46 31.022 31.181 -0.159 1
1 532 . 4 1 1 A 46 46 VAL N N 46 118.981 117.511 1.470 1
1 533 . 4 1 1 A 47 47 GLU H H 47 7.923 8.361 -0.438 1
1 534 . 4 1 1 A 47 47 GLU HA H 47 3.989 3.919 0.070 1
1 539 . 4 1 1 A 47 47 GLU C C 47 177.664 178.508 -0.844 1
1 540 . 4 1 1 A 47 47 GLU CA C 47 57.999 59.063 -1.064 1
1 541 . 4 1 1 A 47 47 GLU CB C 47 28.849 29.041 -0.192 1
1 543 . 4 1 1 A 47 47 GLU N N 47 117.733 121.455 -3.722 1
1 544 . 4 1 1 A 48 48 PHE H H 48 7.689 7.421 0.268 1
1 545 . 4 1 1 A 48 48 PHE HA H 48 4.177 4.248 -0.071 1
1 553 . 4 1 1 A 48 48 PHE C C 48 172.739 175.853 -3.114 1
1 554 . 4 1 1 A 48 48 PHE CA C 48 57.725 59.581 -1.856 1
1 555 . 4 1 1 A 48 48 PHE CB C 48 39.428 39.296 0.132 1
1 561 . 4 1 1 A 48 48 PHE N N 48 117.768 115.442 2.326 1
1 562 . 4 1 1 A 49 49 CYS H H 49 7.413 7.369 0.044 1
1 563 . 4 1 1 A 49 49 CYS HA H 49 5.671 5.027 0.644 1
1 566 . 4 1 1 A 49 49 CYS CA C 49 56.429 60.001 -3.572 1
1 567 . 4 1 1 A 49 49 CYS CB C 49 28.747 28.155 0.592 1
1 568 . 4 1 1 A 49 49 CYS N N 49 119.705 118.171 1.534 1
1 569 . 4 1 1 A 50 50 HIS H H 50 8.640 8.565 0.075 1
1 570 . 4 1 1 A 50 50 HIS HA H 50 3.655 4.030 -0.375 1
1 574 . 4 1 1 A 50 50 HIS CA C 50 56.934 54.802 2.132 1
1 575 . 4 1 1 A 50 50 HIS CB C 50 32.071 30.325 1.746 1
1 577 . 4 1 1 A 50 50 HIS N N 50 134.180 124.812 9.368 1
1 578 . 4 1 1 A 51 51 PRO HA H 51 4.044 4.171 -0.127 1
1 584 . 4 1 1 A 51 51 PRO C C 51 179.121 178.926 0.195 1
1 585 . 4 1 1 A 51 51 PRO CA C 51 65.989 66.108 -0.119 1
1 586 . 4 1 1 A 51 51 PRO CB C 51 32.605 31.555 1.050 1
1 589 . 4 1 1 A 52 52 GLU H H 52 10.986 8.927 2.059 1
1 590 . 4 1 1 A 52 52 GLU HA H 52 4.125 4.108 0.017 1
1 595 . 4 1 1 A 52 52 GLU C C 52 177.643 177.244 0.399 1
1 596 . 4 1 1 A 52 52 GLU CA C 52 58.522 58.949 -0.427 1
1 597 . 4 1 1 A 52 52 GLU CB C 52 29.347 28.847 0.500 1
1 599 . 4 1 1 A 52 52 GLU N N 52 119.351 117.756 1.595 1
1 600 . 4 1 1 A 53 53 ASP H H 53 8.203 8.129 0.074 1
1 601 . 4 1 1 A 53 53 ASP HA H 53 4.898 4.614 0.284 1
1 604 . 4 1 1 A 53 53 ASP C C 53 175.641 177.194 -1.553 1
1 605 . 4 1 1 A 53 53 ASP CA C 53 54.092 54.667 -0.575 1
1 606 . 4 1 1 A 53 53 ASP CB C 53 43.596 41.679 1.917 1
1 607 . 4 1 1 A 53 53 ASP N N 53 117.757 117.836 -0.079 1
1 608 . 4 1 1 A 54 54 GLN H H 54 6.922 7.959 -1.037 1
1 609 . 4 1 1 A 54 54 GLN HA H 54 3.985 3.959 0.026 1
1 616 . 4 1 1 A 54 54 GLN C C 54 177.417 178.742 -1.325 1
1 617 . 4 1 1 A 54 54 GLN CA C 54 60.084 58.963 1.121 1
1 618 . 4 1 1 A 54 54 GLN CB C 54 28.448 28.234 0.214 1
1 620 . 4 1 1 A 54 54 GLN N N 54 118.680 119.403 -0.723 1
1 622 . 4 1 1 A 55 55 GLN H H 55 8.663 7.969 0.694 1
1 623 . 4 1 1 A 55 55 GLN HA H 55 3.778 4.043 -0.265 1
1 630 . 4 1 1 A 55 55 GLN C C 55 177.398 178.121 -0.723 1
1 631 . 4 1 1 A 55 55 GLN CA C 55 58.812 58.536 0.276 1
1 632 . 4 1 1 A 55 55 GLN CB C 55 27.402 28.500 -1.098 1
1 634 . 4 1 1 A 55 55 GLN N N 55 119.173 119.972 -0.799 1
1 636 . 4 1 1 A 56 56 LEU H H 56 7.935 7.636 0.299 1
1 637 . 4 1 1 A 56 56 LEU HA H 56 4.071 4.081 -0.010 1
1 647 . 4 1 1 A 56 56 LEU C C 56 180.037 178.021 2.016 1
1 648 . 4 1 1 A 56 56 LEU CA C 56 57.698 57.377 0.321 1
1 649 . 4 1 1 A 56 56 LEU CB C 56 41.586 42.284 -0.698 1
1 653 . 4 1 1 A 56 56 LEU N N 56 119.661 120.657 -0.996 1
1 654 . 4 1 1 A 57 57 LEU H H 57 7.382 7.855 -0.473 1
1 655 . 4 1 1 A 57 57 LEU HA H 57 3.575 3.616 -0.041 1
1 665 . 4 1 1 A 57 57 LEU C C 57 178.470 178.181 0.289 1
1 666 . 4 1 1 A 57 57 LEU CA C 57 57.703 58.117 -0.414 1
1 667 . 4 1 1 A 57 57 LEU CB C 57 42.077 41.565 0.512 1
1 671 . 4 1 1 A 57 57 LEU N N 57 119.857 119.935 -0.078 1
1 672 . 4 1 1 A 58 58 ARG H H 58 8.118 8.519 -0.401 1
1 673 . 4 1 1 A 58 58 ARG HA H 58 3.338 3.861 -0.523 1
1 680 . 4 1 1 A 58 58 ARG C C 58 179.713 178.660 1.053 1
1 681 . 4 1 1 A 58 58 ARG CA C 58 60.120 59.689 0.431 1
1 682 . 4 1 1 A 58 58 ARG CB C 58 30.320 29.838 0.482 1
1 685 . 4 1 1 A 58 58 ARG N N 58 118.198 117.847 0.351 1
1 686 . 4 1 1 A 59 59 ASP H H 59 8.748 7.996 0.752 1
1 687 . 4 1 1 A 59 59 ASP HA H 59 4.336 4.266 0.070 1
1 690 . 4 1 1 A 59 59 ASP C C 59 179.130 177.998 1.132 1
1 691 . 4 1 1 A 59 59 ASP CA C 59 57.197 57.560 -0.363 1
1 692 . 4 1 1 A 59 59 ASP CB C 59 40.212 41.830 -1.618 1
1 693 . 4 1 1 A 59 59 ASP N N 59 119.165 119.851 -0.686 1
1 694 . 4 1 1 A 60 60 SER H H 60 7.552 8.203 -0.651 1
1 695 . 4 1 1 A 60 60 SER HA H 60 4.116 4.154 -0.038 1
1 698 . 4 1 1 A 60 60 SER C C 60 175.883 177.234 -1.351 1
1 699 . 4 1 1 A 60 60 SER CA C 60 61.975 61.250 0.725 1
1 700 . 4 1 1 A 60 60 SER CB C 60 63.098 61.867 1.231 1
1 701 . 4 1 1 A 60 60 SER N N 60 117.761 115.121 2.640 1
1 702 . 4 1 1 A 61 61 PHE H H 61 7.063 7.518 -0.455 1
1 703 . 4 1 1 A 61 61 PHE HA H 61 4.614 4.378 0.236 1
1 711 . 4 1 1 A 61 61 PHE C C 61 177.561 178.443 -0.882 1
1 712 . 4 1 1 A 61 61 PHE CA C 61 56.777 61.644 -4.867 1
1 713 . 4 1 1 A 61 61 PHE CB C 61 36.564 38.322 -1.758 1
1 719 . 4 1 1 A 61 61 PHE N N 61 122.009 119.109 2.900 1
1 720 . 4 1 1 A 62 62 GLN H H 62 7.376 8.391 -1.015 1
1 721 . 4 1 1 A 62 62 GLN HA H 62 4.038 4.007 0.031 1
1 726 . 4 1 1 A 62 62 GLN C C 62 179.093 178.935 0.158 1
1 727 . 4 1 1 A 62 62 GLN CA C 62 58.240 59.386 -1.146 1
1 728 . 4 1 1 A 62 62 GLN CB C 62 28.094 28.407 -0.313 1
1 730 . 4 1 1 A 62 62 GLN N N 62 114.929 118.214 -3.285 1
1 731 . 4 1 1 A 63 63 GLN H H 63 7.893 7.796 0.097 1
1 732 . 4 1 1 A 63 63 GLN HA H 63 4.083 4.204 -0.121 1
1 737 . 4 1 1 A 63 63 GLN C C 63 178.244 178.772 -0.528 1
1 738 . 4 1 1 A 63 63 GLN CA C 63 58.408 58.325 0.083 1
1 739 . 4 1 1 A 63 63 GLN CB C 63 28.755 28.454 0.301 1
1 741 . 4 1 1 A 63 63 GLN N N 63 117.434 120.506 -3.072 1
1 742 . 4 1 1 A 64 64 VAL H H 64 8.220 8.150 0.070 1
1 743 . 4 1 1 A 64 64 VAL HA H 64 3.663 4.130 -0.467 1
1 751 . 4 1 1 A 64 64 VAL C C 64 177.137 178.080 -0.943 1
1 752 . 4 1 1 A 64 64 VAL CA C 64 66.107 65.543 0.564 1
1 753 . 4 1 1 A 64 64 VAL CB C 64 31.475 31.637 -0.162 1
1 756 . 4 1 1 A 64 64 VAL N N 64 118.766 117.118 1.648 1
1 757 . 4 1 1 A 65 65 VAL H H 65 6.860 7.628 -0.768 1
1 758 . 4 1 1 A 65 65 VAL HA H 65 3.833 3.913 -0.080 1
1 766 . 4 1 1 A 65 65 VAL C C 65 177.624 177.864 -0.240 1
1 767 . 4 1 1 A 65 65 VAL CA C 65 64.200 64.654 -0.454 1
1 768 . 4 1 1 A 65 65 VAL CB C 65 31.730 31.724 0.006 1
1 771 . 4 1 1 A 65 65 VAL N N 65 112.590 122.262 -9.672 1
1 772 . 4 1 1 A 66 66 LYS H H 66 7.431 7.878 -0.447 1
1 773 . 4 1 1 A 66 66 LYS HA H 66 4.184 3.983 0.201 1
1 782 . 4 1 1 A 66 66 LYS C C 66 177.374 178.155 -0.781 1
1 783 . 4 1 1 A 66 66 LYS CA C 66 58.190 59.658 -1.468 1
1 784 . 4 1 1 A 66 66 LYS CB C 66 33.232 32.342 0.890 1
1 788 . 4 1 1 A 66 66 LYS N N 66 119.643 122.180 -2.537 1
1 789 . 4 1 1 A 67 67 LEU H H 67 7.859 8.097 -0.238 1
1 790 . 4 1 1 A 67 67 LEU HA H 67 4.552 4.341 0.211 1
1 800 . 4 1 1 A 67 67 LEU C C 67 175.532 175.951 -0.419 1
1 801 . 4 1 1 A 67 67 LEU CA C 67 53.108 55.104 -1.996 1
1 802 . 4 1 1 A 67 67 LEU CB C 67 40.979 41.828 -0.849 1
1 806 . 4 1 1 A 67 67 LEU N N 67 121.288 118.039 3.249 1
1 807 . 4 1 1 A 68 68 LYS H H 68 7.475 8.149 -0.674 1
1 808 . 4 1 1 A 68 68 LYS HA H 68 4.156 4.237 -0.081 1
1 817 . 4 1 1 A 68 68 LYS C C 68 177.987 175.794 2.193 1
1 818 . 4 1 1 A 68 68 LYS CA C 68 58.388 57.228 1.160 1
1 819 . 4 1 1 A 68 68 LYS CB C 68 32.207 31.751 0.456 1
1 823 . 4 1 1 A 68 68 LYS N N 68 119.626 118.399 1.227 1
1 824 . 4 1 1 A 69 69 GLY H H 69 8.696 8.174 0.522 1
1 825 . 4 1 1 A 69 69 GLY HA2 H 69 4.294 4.043 0.251 1
1 826 . 4 1 1 A 69 69 GLY HA3 H 69 3.896 4.046 -0.150 1
1 827 . 4 1 1 A 69 69 GLY CA C 69 45.335 45.141 0.194 1
1 828 . 4 1 1 A 69 69 GLY N N 69 113.681 111.943 1.738 1
1 829 . 4 1 1 A 70 70 GLN H H 70 8.031 7.941 0.090 1
1 830 . 4 1 1 A 70 70 GLN HA H 70 4.508 4.268 0.240 1
1 835 . 4 1 1 A 70 70 GLN C C 70 174.684 175.096 -0.412 1
1 836 . 4 1 1 A 70 70 GLN CA C 70 55.347 56.448 -1.101 1
1 837 . 4 1 1 A 70 70 GLN CB C 70 30.111 29.332 0.779 1
1 839 . 4 1 1 A 70 70 GLN N N 70 119.949 121.913 -1.964 1
1 840 . 4 1 1 A 71 71 VAL H H 71 8.232 8.409 -0.177 1
1 841 . 4 1 1 A 71 71 VAL HA H 71 4.822 4.657 0.165 1
1 849 . 4 1 1 A 71 71 VAL C C 71 176.406 174.884 1.522 1
1 850 . 4 1 1 A 71 71 VAL CA C 71 61.198 62.426 -1.228 1
1 851 . 4 1 1 A 71 71 VAL CB C 71 32.964 32.784 0.180 1
1 854 . 4 1 1 A 71 71 VAL N N 71 121.816 126.743 -4.927 1
1 855 . 4 1 1 A 72 72 LEU H H 72 9.052 9.236 -0.184 1
1 856 . 4 1 1 A 72 72 LEU HA H 72 4.827 5.251 -0.424 1
1 865 . 4 1 1 A 72 72 LEU C C 72 175.411 175.794 -0.383 1
1 866 . 4 1 1 A 72 72 LEU CA C 72 52.895 53.390 -0.495 1
1 867 . 4 1 1 A 72 72 LEU CB C 72 44.755 45.338 -0.583 1
1 870 . 4 1 1 A 72 72 LEU N N 72 130.331 128.968 1.363 1
1 871 . 4 1 1 A 73 73 SER H H 73 8.057 8.972 -0.915 1
1 872 . 4 1 1 A 73 73 SER HA H 73 5.211 5.731 -0.520 1
1 875 . 4 1 1 A 73 73 SER C C 73 174.562 173.040 1.522 1
1 876 . 4 1 1 A 73 73 SER CA C 73 56.591 56.761 -0.170 1
1 877 . 4 1 1 A 73 73 SER CB C 73 66.336 64.953 1.383 1
1 878 . 4 1 1 A 73 73 SER N N 73 113.040 118.679 -5.639 1
1 879 . 4 1 1 A 74 74 VAL H H 74 8.799 8.662 0.137 1
1 880 . 4 1 1 A 74 74 VAL HA H 74 4.705 4.966 -0.261 1
1 888 . 4 1 1 A 74 74 VAL C C 74 174.122 174.019 0.103 1
1 889 . 4 1 1 A 74 74 VAL CA C 74 59.403 59.522 -0.119 1
1 890 . 4 1 1 A 74 74 VAL CB C 74 35.474 35.768 -0.294 1
1 893 . 4 1 1 A 74 74 VAL N N 74 122.721 122.201 0.520 1
1 894 . 4 1 1 A 75 75 MET H H 75 8.195 8.799 -0.604 1
1 895 . 4 1 1 A 75 75 MET HA H 75 5.922 6.050 -0.128 1
1 903 . 4 1 1 A 75 75 MET C C 75 175.531 175.693 -0.162 1
1 904 . 4 1 1 A 75 75 MET CA C 75 54.021 54.033 -0.012 1
1 905 . 4 1 1 A 75 75 MET CB C 75 34.750 34.006 0.744 1
1 908 . 4 1 1 A 75 75 MET N N 75 120.057 123.686 -3.629 1
1 909 . 4 1 1 A 76 76 PHE H H 76 9.394 9.153 0.241 1
1 910 . 4 1 1 A 76 76 PHE HA H 76 5.004 5.122 -0.118 1
1 918 . 4 1 1 A 76 76 PHE C C 76 171.623 172.413 -0.790 1
1 919 . 4 1 1 A 76 76 PHE CA C 76 55.802 55.427 0.375 1
1 920 . 4 1 1 A 76 76 PHE CB C 76 42.072 42.064 0.008 1
1 926 . 4 1 1 A 76 76 PHE N N 76 120.244 120.171 0.073 1
1 927 . 4 1 1 A 77 77 ARG H H 77 8.783 8.211 0.572 1
1 928 . 4 1 1 A 77 77 ARG HA H 77 4.420 4.176 0.244 1
1 936 . 4 1 1 A 77 77 ARG C C 77 173.455 174.524 -1.069 1
1 937 . 4 1 1 A 77 77 ARG CA C 77 54.218 55.032 -0.814 1
1 938 . 4 1 1 A 77 77 ARG CB C 77 32.439 30.212 2.227 1
1 941 . 4 1 1 A 77 77 ARG N N 77 121.379 118.849 2.530 1
1 943 . 4 1 1 A 78 78 PHE H H 78 9.258 9.186 0.072 1
1 944 . 4 1 1 A 78 78 PHE HA H 78 5.438 5.183 0.255 1
1 952 . 4 1 1 A 78 78 PHE C C 78 175.873 174.516 1.357 1
1 953 . 4 1 1 A 78 78 PHE CA C 78 55.173 56.844 -1.671 1
1 954 . 4 1 1 A 78 78 PHE CB C 78 44.530 39.930 4.600 1
1 960 . 4 1 1 A 78 78 PHE N N 78 128.097 126.410 1.687 1
1 961 . 4 1 1 A 79 79 ARG H H 79 9.242 8.898 0.344 1
1 962 . 4 1 1 A 79 79 ARG HA H 79 4.201 4.612 -0.411 1
1 969 . 4 1 1 A 79 79 ARG C C 79 175.316 176.436 -1.120 1
1 970 . 4 1 1 A 79 79 ARG CA C 79 55.255 56.621 -1.366 1
1 971 . 4 1 1 A 79 79 ARG CB C 79 29.358 30.420 -1.062 1
1 974 . 4 1 1 A 79 79 ARG N N 79 129.898 130.488 -0.590 1
1 975 . 4 1 1 A 80 80 SER H H 80 9.253 8.758 0.495 1
1 976 . 4 1 1 A 80 80 SER HA H 80 4.772 5.085 -0.313 1
1 979 . 4 1 1 A 80 80 SER C C 80 174.983 175.817 -0.834 1
1 980 . 4 1 1 A 80 80 SER CA C 80 58.191 58.107 0.084 1
1 981 . 4 1 1 A 80 80 SER CB C 80 64.930 64.571 0.359 1
1 982 . 4 1 1 A 80 80 SER N N 80 128.002 124.073 3.929 1
1 983 . 4 1 1 A 81 81 LYS H H 81 8.065 8.837 -0.772 1
1 984 . 4 1 1 A 81 81 LYS HA H 81 3.675 3.561 0.114 1
1 993 . 4 1 1 A 81 81 LYS C C 81 177.417 177.493 -0.076 1
1 994 . 4 1 1 A 81 81 LYS CA C 81 59.236 58.836 0.400 1
1 995 . 4 1 1 A 81 81 LYS CB C 81 31.641 31.887 -0.246 1
1 999 . 4 1 1 A 81 81 LYS N N 81 123.505 123.703 -0.198 1
1 1000 . 4 1 1 A 82 82 ASN H H 82 7.934 7.784 0.150 1
1 1001 . 4 1 1 A 82 82 ASN HA H 82 4.679 4.591 0.088 1
1 1006 . 4 1 1 A 82 82 ASN C C 82 173.949 174.831 -0.882 1
1 1007 . 4 1 1 A 82 82 ASN CA C 82 52.764 52.261 0.503 1
1 1008 . 4 1 1 A 82 82 ASN CB C 82 37.428 37.584 -0.156 1
1 1009 . 4 1 1 A 82 82 ASN N N 82 115.202 113.680 1.522 1
1 1011 . 4 1 1 A 83 83 GLN H H 83 8.099 8.186 -0.087 1
1 1012 . 4 1 1 A 83 83 GLN HA H 83 3.382 3.769 -0.387 1
1 1019 . 4 1 1 A 83 83 GLN C C 83 174.208 173.997 0.211 1
1 1020 . 4 1 1 A 83 83 GLN CA C 83 56.400 56.831 -0.431 1
1 1021 . 4 1 1 A 83 83 GLN CB C 83 25.003 26.216 -1.213 1
1 1023 . 4 1 1 A 83 83 GLN N N 83 112.357 114.292 -1.935 1
1 1025 . 4 1 1 A 84 84 GLU H H 84 7.385 7.594 -0.209 1
1 1026 . 4 1 1 A 84 84 GLU HA H 84 4.322 4.702 -0.380 1
1 1031 . 4 1 1 A 84 84 GLU CA C 84 54.720 54.725 -0.005 1
1 1032 . 4 1 1 A 84 84 GLU CB C 84 31.713 32.434 -0.721 1
1 1034 . 4 1 1 A 84 84 GLU N N 84 117.557 116.844 0.713 1
1 1035 . 4 1 1 A 85 85 TRP H H 85 8.645 8.706 -0.061 1
1 1036 . 4 1 1 A 85 85 TRP HA H 85 5.145 4.789 0.356 1
1 1045 . 4 1 1 A 85 85 TRP C C 85 175.772 175.749 0.023 1
1 1046 . 4 1 1 A 85 85 TRP CA C 85 55.591 57.247 -1.656 1
1 1047 . 4 1 1 A 85 85 TRP CB C 85 30.113 28.540 1.573 1
1 1053 . 4 1 1 A 85 85 TRP N N 85 121.388 122.909 -1.521 1
1 1055 . 4 1 1 A 86 86 LEU H H 86 9.348 8.928 0.420 1
1 1056 . 4 1 1 A 86 86 LEU HA H 86 4.847 4.876 -0.029 1
1 1066 . 4 1 1 A 86 86 LEU C C 86 176.991 176.328 0.663 1
1 1067 . 4 1 1 A 86 86 LEU CA C 86 53.102 54.072 -0.970 1
1 1068 . 4 1 1 A 86 86 LEU CB C 86 44.527 41.703 2.824 1
1 1071 . 4 1 1 A 86 86 LEU N N 86 126.537 126.058 0.479 1
1 1072 . 4 1 1 A 87 87 TRP H H 87 8.870 8.891 -0.021 1
1 1073 . 4 1 1 A 87 87 TRP HA H 87 4.465 4.968 -0.503 1
1 1082 . 4 1 1 A 87 87 TRP C C 87 175.731 176.929 -1.198 1
1 1083 . 4 1 1 A 87 87 TRP CA C 87 59.207 58.471 0.736 1
1 1084 . 4 1 1 A 87 87 TRP CB C 87 29.736 30.333 -0.597 1
1 1090 . 4 1 1 A 87 87 TRP N N 87 123.902 126.797 -2.895 1
1 1092 . 4 1 1 A 88 88 MET H H 88 9.432 9.095 0.337 1
1 1093 . 4 1 1 A 88 88 MET HA H 88 5.267 5.548 -0.281 1
1 1101 . 4 1 1 A 88 88 MET C C 88 174.713 173.968 0.745 1
1 1102 . 4 1 1 A 88 88 MET CA C 88 52.557 54.314 -1.757 1
1 1103 . 4 1 1 A 88 88 MET CB C 88 36.139 37.374 -1.235 1
1 1106 . 4 1 1 A 88 88 MET N N 88 123.412 121.359 2.053 1
1 1107 . 4 1 1 A 89 89 ARG H H 89 9.282 9.035 0.247 1
1 1108 . 4 1 1 A 89 89 ARG HA H 89 5.702 5.224 0.478 1
1 1115 . 4 1 1 A 89 89 ARG C C 89 177.137 175.711 1.426 1
1 1116 . 4 1 1 A 89 89 ARG CA C 89 54.266 54.776 -0.510 1
1 1117 . 4 1 1 A 89 89 ARG CB C 89 34.404 32.269 2.135 1
1 1120 . 4 1 1 A 89 89 ARG N N 89 119.570 121.262 -1.692 1
1 1121 . 4 1 1 A 90 90 THR H H 90 9.298 9.145 0.153 1
1 1122 . 4 1 1 A 90 90 THR HA H 90 5.625 5.282 0.343 1
1 1127 . 4 1 1 A 90 90 THR C C 90 176.787 174.275 2.512 1
1 1128 . 4 1 1 A 90 90 THR CA C 90 60.327 60.468 -0.141 1
1 1129 . 4 1 1 A 90 90 THR CB C 90 72.187 70.388 1.799 1
1 1131 . 4 1 1 A 90 90 THR N N 90 115.133 117.629 -2.496 1
1 1132 . 4 1 1 A 91 91 SER H H 91 8.194 8.754 -0.560 1
1 1133 . 4 1 1 A 91 91 SER HA H 91 4.860 5.219 -0.359 1
1 1136 . 4 1 1 A 91 91 SER C C 91 175.171 173.299 1.872 1
1 1137 . 4 1 1 A 91 91 SER CA C 91 59.224 57.293 1.931 1
1 1138 . 4 1 1 A 91 91 SER CB C 91 64.094 63.532 0.562 1
1 1139 . 4 1 1 A 91 91 SER N N 91 114.043 121.218 -7.175 1
1 1140 . 4 1 1 A 92 92 SER H H 92 9.864 8.074 1.790 1
1 1141 . 4 1 1 A 92 92 SER HA H 92 6.204 5.192 1.012 1
1 1144 . 4 1 1 A 92 92 SER C C 92 171.748 173.973 -2.225 1
1 1145 . 4 1 1 A 92 92 SER CA C 92 58.818 59.484 -0.666 1
1 1146 . 4 1 1 A 92 92 SER CB C 92 66.419 64.197 2.222 1
1 1147 . 4 1 1 A 92 92 SER N N 92 125.442 121.751 3.691 1
1 1148 . 4 1 1 A 93 93 GLN H H 93 8.873 8.756 0.117 1
1 1149 . 4 1 1 A 93 93 GLN HA H 93 5.048 4.956 0.092 1
1 1156 . 4 1 1 A 93 93 GLN C C 93 174.145 174.369 -0.224 1
1 1157 . 4 1 1 A 93 93 GLN CA C 93 54.262 54.630 -0.368 1
1 1158 . 4 1 1 A 93 93 GLN CB C 93 33.131 32.259 0.872 1
1 1160 . 4 1 1 A 93 93 GLN N N 93 117.328 121.693 -4.365 1
1 1162 . 4 1 1 A 94 94 THR H H 94 8.846 8.582 0.264 1
1 1163 . 4 1 1 A 94 94 THR HA H 94 3.979 4.702 -0.723 1
1 1168 . 4 1 1 A 94 94 THR C C 94 174.677 174.563 0.114 1
1 1169 . 4 1 1 A 94 94 THR CA C 94 64.467 62.621 1.846 1
1 1170 . 4 1 1 A 94 94 THR CB C 94 68.894 69.094 -0.200 1
1 1172 . 4 1 1 A 94 94 THR N N 94 116.526 112.981 3.545 1
1 1173 . 4 1 1 A 95 95 ALA H H 95 8.188 8.397 -0.209 1
1 1174 . 4 1 1 A 95 95 ALA HA H 95 4.161 4.282 -0.121 1
1 1178 . 4 1 1 A 95 95 ALA C C 95 176.285 177.161 -0.876 1
1 1179 . 4 1 1 A 95 95 ALA CA C 95 51.847 52.236 -0.389 1
1 1180 . 4 1 1 A 95 95 ALA CB C 95 18.999 19.977 -0.978 1
1 1181 . 4 1 1 A 95 95 ALA N N 95 126.311 128.881 -2.570 1
1 1182 . 4 1 1 A 96 96 GLN H H 96 8.324 8.560 -0.236 1
1 1183 . 4 1 1 A 96 96 GLN HA H 96 4.175 4.642 -0.467 1
1 1190 . 4 1 1 A 96 96 GLN C C 96 176.230 175.357 0.873 1
1 1191 . 4 1 1 A 96 96 GLN CA C 96 54.621 55.048 -0.427 1
1 1192 . 4 1 1 A 96 96 GLN CB C 96 30.003 28.844 1.159 1
1 1194 . 4 1 1 A 96 96 GLN N N 96 116.920 118.260 -1.340 1
1 1196 . 4 1 1 A 97 97 ASN H H 97 8.512 8.146 0.366 1
1 1197 . 4 1 1 A 97 97 ASN HA H 97 4.436 4.707 -0.271 1
1 1200 . 4 1 1 A 97 97 ASN CA C 97 52.928 53.780 -0.852 1
1 1201 . 4 1 1 A 97 97 ASN CB C 97 37.851 37.622 0.229 1
1 1202 . 4 1 1 A 97 97 ASN N N 97 119.656 116.868 2.788 1
1 1203 . 4 1 1 A 98 98 PRO HA H 98 4.566 4.332 0.234 1
1 1210 . 4 1 1 A 98 98 PRO C C 98 175.164 176.077 -0.913 1
1 1211 . 4 1 1 A 98 98 PRO CA C 98 63.824 63.979 -0.155 1
1 1212 . 4 1 1 A 98 98 PRO CB C 98 32.473 31.431 1.042 1
1 1215 . 4 1 1 A 99 99 TYR H H 99 8.780 7.589 1.191 1
1 1216 . 4 1 1 A 99 99 TYR HA H 99 4.996 4.704 0.292 1
1 1223 . 4 1 1 A 99 99 TYR C C 99 176.421 176.168 0.253 1
1 1224 . 4 1 1 A 99 99 TYR CA C 99 55.837 57.344 -1.507 1
1 1225 . 4 1 1 A 99 99 TYR CB C 99 37.199 37.421 -0.222 1
1 1230 . 4 1 1 A 99 99 TYR N N 99 127.975 117.481 10.494 1
1 1231 . 4 1 1 A 100 100 SER H H 100 7.655 8.046 -0.391 1
1 1232 . 4 1 1 A 100 100 SER HA H 100 4.274 4.206 0.068 1
1 1235 . 4 1 1 A 100 100 SER C C 100 174.144 176.025 -1.881 1
1 1236 . 4 1 1 A 100 100 SER CA C 100 60.567 61.522 -0.955 1
1 1237 . 4 1 1 A 100 100 SER CB C 100 63.266 62.953 0.313 1
1 1238 . 4 1 1 A 100 100 SER N N 100 113.164 117.006 -3.842 1
1 1239 . 4 1 1 A 101 101 ASP H H 101 8.736 7.986 0.750 1
1 1240 . 4 1 1 A 101 101 ASP HA H 101 4.688 4.684 0.004 1
1 1243 . 4 1 1 A 101 101 ASP C C 101 175.535 176.360 -0.825 1
1 1244 . 4 1 1 A 101 101 ASP CA C 101 54.103 55.079 -0.976 1
1 1245 . 4 1 1 A 101 101 ASP CB C 101 40.098 40.894 -0.796 1
1 1246 . 4 1 1 A 101 101 ASP N N 101 118.476 119.427 -0.951 1
1 1247 . 4 1 1 A 102 102 GLU H H 102 8.127 8.189 -0.062 1
1 1248 . 4 1 1 A 102 102 GLU HA H 102 4.448 4.771 -0.323 1
1 1253 . 4 1 1 A 102 102 GLU CA C 102 54.963 55.164 -0.201 1
1 1254 . 4 1 1 A 102 102 GLU CB C 102 31.769 31.764 0.005 1
1 1256 . 4 1 1 A 102 102 GLU N N 102 119.744 117.788 1.956 1
1 1257 . 4 1 1 A 103 103 ILE H H 103 8.645 8.578 0.067 1
1 1258 . 4 1 1 A 103 103 ILE HA H 103 4.001 4.734 -0.733 1
1 1268 . 4 1 1 A 103 103 ILE C C 103 174.065 174.469 -0.404 1
1 1269 . 4 1 1 A 103 103 ILE CA C 103 60.418 60.822 -0.404 1
1 1270 . 4 1 1 A 103 103 ILE CB C 103 40.781 40.800 -0.019 1
1 1274 . 4 1 1 A 103 103 ILE N N 103 121.388 120.759 0.629 1
1 1275 . 4 1 1 A 104 104 GLU H H 104 8.957 9.128 -0.171 1
1 1276 . 4 1 1 A 104 104 GLU HA H 104 5.099 4.517 0.582 1
1 1281 . 4 1 1 A 104 104 GLU C C 104 175.093 175.167 -0.074 1
1 1282 . 4 1 1 A 104 104 GLU CA C 104 54.898 56.226 -1.328 1
1 1283 . 4 1 1 A 104 104 GLU CB C 104 32.330 30.133 2.197 1
1 1285 . 4 1 1 A 104 104 GLU N N 104 125.935 128.354 -2.419 1
1 1286 . 4 1 1 A 105 105 THR H H 105 8.774 8.874 -0.100 1
1 1287 . 4 1 1 A 105 105 THR HA H 105 5.226 4.888 0.338 1
1 1292 . 4 1 1 A 105 105 THR C C 105 174.876 173.631 1.245 1
1 1293 . 4 1 1 A 105 105 THR CA C 105 61.469 62.288 -0.819 1
1 1294 . 4 1 1 A 105 105 THR CB C 105 70.382 70.087 0.295 1
1 1296 . 4 1 1 A 105 105 THR N N 105 127.200 121.959 5.241 1
1 1297 . 4 1 1 A 106 106 ILE H H 106 9.186 8.920 0.266 1
1 1298 . 4 1 1 A 106 106 ILE HA H 106 4.486 4.565 -0.079 1
1 1308 . 4 1 1 A 106 106 ILE C C 106 175.412 175.236 0.176 1
1 1309 . 4 1 1 A 106 106 ILE CA C 106 61.423 60.562 0.861 1
1 1310 . 4 1 1 A 106 106 ILE CB C 106 38.432 37.474 0.958 1
1 1313 . 4 1 1 A 106 106 ILE N N 106 107.991 128.450 -20.459 1
1 1314 . 4 1 1 A 107 107 ILE H H 107 8.431 8.218 0.213 1
1 1315 . 4 1 1 A 107 107 ILE HA H 107 4.239 4.431 -0.192 1
1 1325 . 4 1 1 A 107 107 ILE C C 107 173.805 174.673 -0.868 1
1 1326 . 4 1 1 A 107 107 ILE CA C 107 61.459 60.752 0.707 1
1 1327 . 4 1 1 A 107 107 ILE CB C 107 37.499 36.966 0.533 1
1 1331 . 4 1 1 A 107 107 ILE N N 107 129.202 128.431 0.771 1
1 1332 . 4 1 1 A 108 108 CYS H H 108 8.581 9.222 -0.641 1
1 1333 . 4 1 1 A 108 108 CYS HA H 108 5.298 5.188 0.110 1
1 1336 . 4 1 1 A 108 108 CYS C C 108 174.235 173.984 0.251 1
1 1337 . 4 1 1 A 108 108 CYS CA C 108 55.861 56.984 -1.123 1
1 1338 . 4 1 1 A 108 108 CYS CB C 108 31.110 30.670 0.440 1
1 1339 . 4 1 1 A 108 108 CYS N N 108 124.561 128.248 -3.687 1
1 1340 . 4 1 1 A 109 109 THR H H 109 8.701 8.720 -0.019 1
1 1341 . 4 1 1 A 109 109 THR HA H 109 4.733 4.461 0.272 1
1 1346 . 4 1 1 A 109 109 THR C C 109 174.927 174.038 0.889 1
1 1347 . 4 1 1 A 109 109 THR CA C 109 63.466 62.311 1.155 1
1 1348 . 4 1 1 A 109 109 THR CB C 109 69.636 69.674 -0.038 1
1 1350 . 4 1 1 A 109 109 THR N N 109 119.017 117.590 1.427 1
1 1351 . 4 1 1 A 110 110 ASN H H 110 8.527 8.967 -0.440 1
1 1352 . 4 1 1 A 110 110 ASN HA H 110 4.891 4.860 0.031 1
1 1357 . 4 1 1 A 110 110 ASN C C 110 174.829 175.419 -0.590 1
1 1358 . 4 1 1 A 110 110 ASN CA C 110 53.104 54.605 -1.501 1
1 1359 . 4 1 1 A 110 110 ASN CB C 110 39.813 39.729 0.084 1
1 1360 . 4 1 1 A 110 110 ASN N N 110 122.861 121.223 1.638 1
1 1362 . 4 1 1 A 111 111 THR H H 111 8.159 8.280 -0.121 1
1 1363 . 4 1 1 A 111 111 THR HA H 111 4.407 4.174 0.233 1
1 1368 . 4 1 1 A 111 111 THR C C 111 174.189 174.086 0.103 1
1 1369 . 4 1 1 A 111 111 THR CA C 111 61.900 63.349 -1.449 1
1 1370 . 4 1 1 A 111 111 THR CB C 111 69.400 66.721 2.679 1
1 1372 . 4 1 1 A 111 111 THR N N 111 114.879 112.985 1.894 1
1 1373 . 4 1 1 A 112 112 ASN H H 112 8.359 8.453 -0.094 1
1 1374 . 4 1 1 A 112 112 ASN N N 112 121.000 115.261 5.739 1
1 1375 . 4 1 1 A 117 117 SER C C 117 174.242 174.248 -0.006 1
1 1376 . 4 1 1 A 117 117 SER CA C 117 58.557 58.717 -0.160 1
1 1377 . 4 1 1 A 117 117 SER CB C 117 63.729 61.802 1.927 1
1 1378 . 4 1 1 A 118 118 GLN H H 118 8.304 8.206 0.098 1
1 1379 . 4 1 1 A 118 118 GLN C C 118 174.889 177.423 -2.534 1
1 1380 . 4 1 1 A 118 118 GLN CA C 118 55.764 57.628 -1.864 1
1 1381 . 4 1 1 A 118 118 GLN CB C 118 29.659 29.431 0.228 1
1 1382 . 4 1 1 A 118 118 GLN N N 118 122.171 126.101 -3.930 1
1 1 . 5 1 1 A 2 2 ALA HA H 2 4.298 4.705 -0.407 1
1 5 . 5 1 1 A 2 2 ALA CA C 2 53.448 51.484 1.964 1
1 6 . 5 1 1 A 2 2 ALA CB C 2 19.236 19.368 -0.132 1
1 7 . 5 1 1 A 3 3 MET H H 3 8.518 8.674 -0.156 1
1 12 . 5 1 1 A 3 3 MET N N 3 117.762 123.284 -5.522 1
1 13 . 5 1 1 A 4 4 ASP CA C 4 54.632 53.235 1.397 1
1 14 . 5 1 1 A 4 4 ASP CB C 4 41.102 42.183 -1.081 1
1 15 . 5 1 1 A 5 5 ASN H H 5 8.332 8.477 -0.145 1
1 18 . 5 1 1 A 5 5 ASN CA C 5 53.361 55.197 -1.836 1
1 19 . 5 1 1 A 5 5 ASN CB C 5 38.775 38.923 -0.148 1
1 20 . 5 1 1 A 5 5 ASN N N 5 118.200 124.058 -5.858 1
1 22 . 5 1 1 A 6 6 VAL H H 6 7.939 7.634 0.305 1
1 23 . 5 1 1 A 6 6 VAL HA H 6 4.142 4.555 -0.413 1
1 31 . 5 1 1 A 6 6 VAL CA C 6 62.634 59.571 3.063 1
1 32 . 5 1 1 A 6 6 VAL CB C 6 32.598 34.129 -1.531 1
1 35 . 5 1 1 A 6 6 VAL N N 6 120.396 115.050 5.346 1
1 36 . 5 1 1 A 7 7 CYS H H 7 8.304 8.633 -0.329 1
1 37 . 5 1 1 A 7 7 CYS CA C 7 56.095 61.249 -5.154 1
1 38 . 5 1 1 A 7 7 CYS CB C 7 32.967 27.983 4.984 1
1 39 . 5 1 1 A 7 7 CYS N N 7 124.774 121.361 3.413 1
1 40 . 5 1 1 A 9 9 PRO HA H 9 4.547 4.757 -0.210 1
1 46 . 5 1 1 A 9 9 PRO C C 9 176.493 175.729 0.764 1
1 47 . 5 1 1 A 9 9 PRO CA C 9 63.142 62.353 0.789 1
1 48 . 5 1 1 A 9 9 PRO CB C 9 32.554 33.167 -0.613 1
1 51 . 5 1 1 A 10 10 THR H H 10 8.368 8.753 -0.385 1
1 52 . 5 1 1 A 10 10 THR HA H 10 4.418 4.490 -0.072 1
1 57 . 5 1 1 A 10 10 THR C C 10 172.743 173.636 -0.893 1
1 58 . 5 1 1 A 10 10 THR CA C 10 61.197 62.919 -1.722 1
1 59 . 5 1 1 A 10 10 THR CB C 10 69.660 71.410 -1.750 1
1 61 . 5 1 1 A 10 10 THR N N 10 112.513 113.743 -1.230 1
1 62 . 5 1 1 A 11 11 GLU H H 11 7.813 7.937 -0.124 1
1 63 . 5 1 1 A 11 11 GLU HA H 11 5.549 5.152 0.397 1
1 68 . 5 1 1 A 11 11 GLU C C 11 173.062 174.190 -1.128 1
1 69 . 5 1 1 A 11 11 GLU CA C 11 53.855 55.508 -1.653 1
1 70 . 5 1 1 A 11 11 GLU CB C 11 33.820 32.804 1.016 1
1 72 . 5 1 1 A 11 11 GLU N N 11 119.491 116.409 3.082 1
1 73 . 5 1 1 A 12 12 PHE H H 12 8.198 8.821 -0.623 1
1 74 . 5 1 1 A 12 12 PHE HA H 12 5.014 5.680 -0.666 1
1 82 . 5 1 1 A 12 12 PHE C C 12 171.976 173.488 -1.512 1
1 83 . 5 1 1 A 12 12 PHE CA C 12 55.597 55.343 0.254 1
1 84 . 5 1 1 A 12 12 PHE CB C 12 42.384 42.249 0.135 1
1 90 . 5 1 1 A 12 12 PHE N N 12 111.146 117.217 -6.071 1
1 91 . 5 1 1 A 13 13 ILE H H 13 8.655 8.966 -0.311 1
1 92 . 5 1 1 A 13 13 ILE HA H 13 4.165 4.425 -0.260 1
1 102 . 5 1 1 A 13 13 ILE C C 13 173.432 175.008 -1.576 1
1 103 . 5 1 1 A 13 13 ILE CA C 13 62.270 61.938 0.332 1
1 104 . 5 1 1 A 13 13 ILE CB C 13 39.957 36.835 3.122 1
1 108 . 5 1 1 A 13 13 ILE N N 13 121.427 124.658 -3.231 1
1 109 . 5 1 1 A 14 14 SER H H 14 8.034 8.992 -0.958 1
1 110 . 5 1 1 A 14 14 SER HA H 14 5.588 5.153 0.435 1
1 113 . 5 1 1 A 14 14 SER C C 14 173.429 173.460 -0.031 1
1 114 . 5 1 1 A 14 14 SER CA C 14 56.650 56.505 0.145 1
1 115 . 5 1 1 A 14 14 SER CB C 14 70.177 64.930 5.247 1
1 116 . 5 1 1 A 14 14 SER N N 14 121.358 123.577 -2.219 1
1 117 . 5 1 1 A 15 15 ARG H H 15 9.545 8.848 0.697 1
1 118 . 5 1 1 A 15 15 ARG HA H 15 5.826 4.799 1.027 1
1 126 . 5 1 1 A 15 15 ARG C C 15 176.042 175.669 0.373 1
1 127 . 5 1 1 A 15 15 ARG CA C 15 55.105 55.627 -0.522 1
1 128 . 5 1 1 A 15 15 ARG CB C 15 35.587 32.462 3.125 1
1 131 . 5 1 1 A 15 15 ARG N N 15 118.317 127.220 -8.903 1
1 133 . 5 1 1 A 16 16 HIS H H 16 8.730 8.259 0.471 1
1 134 . 5 1 1 A 16 16 HIS HA H 16 5.555 5.495 0.060 1
1 141 . 5 1 1 A 16 16 HIS C C 16 174.062 173.056 1.006 1
1 142 . 5 1 1 A 16 16 HIS CA C 16 54.057 54.489 -0.432 1
1 143 . 5 1 1 A 16 16 HIS CB C 16 31.334 31.284 0.050 1
1 146 . 5 1 1 A 16 16 HIS N N 16 117.425 116.887 0.538 1
1 148 . 5 1 1 A 17 17 ASN H H 17 8.201 8.594 -0.393 1
1 149 . 5 1 1 A 17 17 ASN HA H 17 4.897 4.945 -0.048 1
1 154 . 5 1 1 A 17 17 ASN C C 17 178.263 175.659 2.604 1
1 155 . 5 1 1 A 17 17 ASN CA C 17 51.104 51.524 -0.420 1
1 156 . 5 1 1 A 17 17 ASN CB C 17 38.469 39.210 -0.741 1
1 157 . 5 1 1 A 17 17 ASN N N 17 116.276 118.121 -1.845 1
1 159 . 5 1 1 A 18 18 ILE H H 18 8.774 8.820 -0.046 1
1 160 . 5 1 1 A 18 18 ILE HA H 18 3.795 3.913 -0.118 1
1 170 . 5 1 1 A 18 18 ILE C C 18 174.851 177.763 -2.912 1
1 171 . 5 1 1 A 18 18 ILE CA C 18 64.399 64.059 0.340 1
1 172 . 5 1 1 A 18 18 ILE CB C 18 38.072 37.868 0.204 1
1 176 . 5 1 1 A 18 18 ILE N N 18 120.001 120.207 -0.206 1
1 177 . 5 1 1 A 19 19 GLU H H 19 7.213 7.828 -0.615 1
1 178 . 5 1 1 A 19 19 GLU HA H 19 4.225 4.113 0.112 1
1 183 . 5 1 1 A 19 19 GLU CA C 19 57.145 56.817 0.328 1
1 184 . 5 1 1 A 19 19 GLU CB C 19 29.878 29.829 0.049 1
1 186 . 5 1 1 A 19 19 GLU N N 19 116.538 119.911 -3.373 1
1 187 . 5 1 1 A 20 20 GLY H H 20 7.845 7.855 -0.010 1
1 188 . 5 1 1 A 20 20 GLY HA2 H 20 4.878 2.825 2.053 1
1 189 . 5 1 1 A 20 20 GLY HA3 H 20 2.886 3.636 -0.750 1
1 190 . 5 1 1 A 20 20 GLY C C 20 172.992 174.083 -1.091 1
1 191 . 5 1 1 A 20 20 GLY CA C 20 44.049 44.323 -0.274 1
1 192 . 5 1 1 A 20 20 GLY N N 20 104.883 106.160 -1.277 1
1 193 . 5 1 1 A 21 21 ILE H H 21 7.841 7.618 0.223 1
1 194 . 5 1 1 A 21 21 ILE HA H 21 3.995 4.172 -0.177 1
1 204 . 5 1 1 A 21 21 ILE C C 21 176.915 175.537 1.378 1
1 205 . 5 1 1 A 21 21 ILE CA C 21 60.302 61.676 -1.374 1
1 206 . 5 1 1 A 21 21 ILE CB C 21 36.111 38.006 -1.895 1
1 210 . 5 1 1 A 21 21 ILE N N 21 120.855 122.698 -1.843 1
1 211 . 5 1 1 A 22 22 PHE H H 22 8.896 8.753 0.143 1
1 212 . 5 1 1 A 22 22 PHE HA H 22 5.052 5.045 0.007 1
1 220 . 5 1 1 A 22 22 PHE C C 22 177.971 176.317 1.654 1
1 221 . 5 1 1 A 22 22 PHE CA C 22 59.625 58.829 0.796 1
1 222 . 5 1 1 A 22 22 PHE CB C 22 39.984 38.847 1.137 1
1 228 . 5 1 1 A 22 22 PHE N N 22 125.849 128.553 -2.704 1
1 229 . 5 1 1 A 23 23 THR H H 23 9.771 8.686 1.085 1
1 230 . 5 1 1 A 23 23 THR HA H 23 4.403 4.456 -0.053 1
1 235 . 5 1 1 A 23 23 THR C C 23 175.589 174.507 1.082 1
1 236 . 5 1 1 A 23 23 THR CA C 23 61.611 62.417 -0.806 1
1 237 . 5 1 1 A 23 23 THR CB C 23 69.193 69.189 0.004 1
1 239 . 5 1 1 A 23 23 THR N N 23 117.677 115.543 2.134 1
1 240 . 5 1 1 A 24 24 PHE H H 24 7.948 7.430 0.518 1
1 241 . 5 1 1 A 24 24 PHE HA H 24 4.483 4.796 -0.313 1
1 249 . 5 1 1 A 24 24 PHE C C 24 173.376 173.307 0.069 1
1 250 . 5 1 1 A 24 24 PHE CA C 24 59.142 58.279 0.863 1
1 251 . 5 1 1 A 24 24 PHE CB C 24 42.161 42.370 -0.209 1
1 257 . 5 1 1 A 24 24 PHE N N 24 123.378 121.220 2.158 1
1 258 . 5 1 1 A 25 25 VAL H H 25 7.340 7.402 -0.062 1
1 259 . 5 1 1 A 25 25 VAL HA H 25 4.166 4.331 -0.165 1
1 267 . 5 1 1 A 25 25 VAL C C 25 173.103 173.486 -0.383 1
1 268 . 5 1 1 A 25 25 VAL CA C 25 61.539 60.405 1.134 1
1 269 . 5 1 1 A 25 25 VAL CB C 25 35.683 35.080 0.603 1
1 272 . 5 1 1 A 25 25 VAL N N 25 124.777 123.597 1.180 1
1 273 . 5 1 1 A 26 26 ASP H H 26 7.942 8.463 -0.521 1
1 274 . 5 1 1 A 26 26 ASP HA H 26 4.466 4.615 -0.149 1
1 277 . 5 1 1 A 26 26 ASP C C 26 175.258 177.308 -2.050 1
1 278 . 5 1 1 A 26 26 ASP CA C 26 53.318 54.389 -1.071 1
1 279 . 5 1 1 A 26 26 ASP CB C 26 42.461 42.441 0.020 1
1 280 . 5 1 1 A 26 26 ASP N N 26 125.573 126.497 -0.924 1
1 281 . 5 1 1 A 27 27 HIS H H 27 8.115 8.853 -0.738 1
1 282 . 5 1 1 A 27 27 HIS HA H 27 4.222 4.103 0.119 1
1 286 . 5 1 1 A 27 27 HIS C C 27 177.268 176.502 0.766 1
1 287 . 5 1 1 A 27 27 HIS CA C 27 59.164 58.743 0.421 1
1 288 . 5 1 1 A 27 27 HIS CB C 27 30.374 29.154 1.220 1
1 290 . 5 1 1 A 27 27 HIS N N 27 117.576 123.584 -6.008 1
1 291 . 5 1 1 A 28 28 ARG H H 28 8.724 8.359 0.365 1
1 292 . 5 1 1 A 28 28 ARG HA H 28 4.210 3.710 0.500 1
1 300 . 5 1 1 A 28 28 ARG C C 28 177.838 178.952 -1.114 1
1 301 . 5 1 1 A 28 28 ARG CA C 28 58.199 59.455 -1.256 1
1 302 . 5 1 1 A 28 28 ARG CB C 28 29.815 29.645 0.170 1
1 305 . 5 1 1 A 28 28 ARG N N 28 122.414 120.765 1.649 1
1 307 . 5 1 1 A 29 29 CYS H H 29 8.102 8.274 -0.172 1
1 308 . 5 1 1 A 29 29 CYS HA H 29 3.124 3.113 0.011 1
1 311 . 5 1 1 A 29 29 CYS C C 29 175.551 177.032 -1.481 1
1 312 . 5 1 1 A 29 29 CYS CA C 29 59.988 61.056 -1.068 1
1 313 . 5 1 1 A 29 29 CYS CB C 29 25.101 26.266 -1.165 1
1 314 . 5 1 1 A 29 29 CYS N N 29 119.987 117.620 2.367 1
1 315 . 5 1 1 A 30 30 VAL H H 30 7.139 7.108 0.031 1
1 316 . 5 1 1 A 30 30 VAL HA H 30 3.373 3.627 -0.254 1
1 324 . 5 1 1 A 30 30 VAL C C 30 178.225 177.996 0.229 1
1 325 . 5 1 1 A 30 30 VAL CA C 30 65.903 64.550 1.353 1
1 326 . 5 1 1 A 30 30 VAL CB C 30 31.446 31.520 -0.074 1
1 329 . 5 1 1 A 30 30 VAL N N 30 125.016 119.284 5.732 1
1 330 . 5 1 1 A 31 31 ALA H H 31 7.393 7.685 -0.292 1
1 331 . 5 1 1 A 31 31 ALA HA H 31 4.126 4.079 0.047 1
1 335 . 5 1 1 A 31 31 ALA C C 31 178.111 179.778 -1.667 1
1 336 . 5 1 1 A 31 31 ALA CA C 31 53.715 54.358 -0.643 1
1 337 . 5 1 1 A 31 31 ALA CB C 31 19.223 18.471 0.752 1
1 338 . 5 1 1 A 31 31 ALA N N 31 120.554 124.014 -3.460 1
1 339 . 5 1 1 A 32 32 THR H H 32 7.253 7.784 -0.531 1
1 340 . 5 1 1 A 32 32 THR HA H 32 4.116 4.055 0.061 1
1 345 . 5 1 1 A 32 32 THR C C 32 175.655 176.034 -0.379 1
1 346 . 5 1 1 A 32 32 THR CA C 32 64.727 65.701 -0.974 1
1 347 . 5 1 1 A 32 32 THR CB C 32 69.144 69.303 -0.159 1
1 349 . 5 1 1 A 32 32 THR N N 32 109.150 113.609 -4.459 1
1 350 . 5 1 1 A 33 33 VAL H H 33 7.939 7.678 0.261 1
1 351 . 5 1 1 A 33 33 VAL HA H 33 4.504 4.309 0.195 1
1 359 . 5 1 1 A 33 33 VAL C C 33 175.594 176.349 -0.755 1
1 360 . 5 1 1 A 33 33 VAL CA C 33 60.596 60.504 0.092 1
1 361 . 5 1 1 A 33 33 VAL CB C 33 34.900 31.462 3.438 1
1 364 . 5 1 1 A 33 33 VAL N N 33 108.519 113.169 -4.650 1
1 365 . 5 1 1 A 34 34 GLY H H 34 7.439 7.789 -0.350 1
1 366 . 5 1 1 A 34 34 GLY HA2 H 34 4.099 3.672 0.427 1
1 367 . 5 1 1 A 34 34 GLY HA3 H 34 3.846 3.780 0.066 1
1 368 . 5 1 1 A 34 34 GLY C C 34 173.655 173.599 0.056 1
1 369 . 5 1 1 A 34 34 GLY CA C 34 46.538 45.333 1.205 1
1 370 . 5 1 1 A 34 34 GLY N N 34 109.672 110.206 -0.534 1
1 371 . 5 1 1 A 35 35 TYR H H 35 6.215 7.424 -1.209 1
1 372 . 5 1 1 A 35 35 TYR HA H 35 4.415 4.865 -0.450 1
1 379 . 5 1 1 A 35 35 TYR C C 35 174.492 175.305 -0.813 1
1 380 . 5 1 1 A 35 35 TYR CA C 35 57.289 58.875 -1.586 1
1 381 . 5 1 1 A 35 35 TYR CB C 35 40.784 38.122 2.662 1
1 386 . 5 1 1 A 35 35 TYR N N 35 117.067 119.970 -2.903 1
1 387 . 5 1 1 A 36 36 GLN H H 36 9.145 8.516 0.629 1
1 388 . 5 1 1 A 36 36 GLN HA H 36 4.285 4.223 0.062 1
1 393 . 5 1 1 A 36 36 GLN CA C 36 53.760 54.593 -0.833 1
1 394 . 5 1 1 A 36 36 GLN CB C 36 27.558 28.375 -0.817 1
1 396 . 5 1 1 A 36 36 GLN N N 36 117.664 124.172 -6.508 1
1 397 . 5 1 1 A 37 37 PRO HA H 37 3.755 4.040 -0.285 1
1 404 . 5 1 1 A 37 37 PRO C C 37 178.629 178.224 0.405 1
1 405 . 5 1 1 A 37 37 PRO CA C 37 66.415 65.772 0.643 1
1 406 . 5 1 1 A 37 37 PRO CB C 37 31.313 31.646 -0.333 1
1 409 . 5 1 1 A 38 38 GLN H H 38 8.870 8.816 0.054 1
1 410 . 5 1 1 A 38 38 GLN HA H 38 3.996 4.075 -0.079 1
1 415 . 5 1 1 A 38 38 GLN C C 38 177.121 177.336 -0.215 1
1 416 . 5 1 1 A 38 38 GLN CA C 38 58.468 58.555 -0.087 1
1 417 . 5 1 1 A 38 38 GLN CB C 38 27.259 27.692 -0.433 1
1 419 . 5 1 1 A 38 38 GLN N N 38 113.031 115.353 -2.322 1
1 420 . 5 1 1 A 39 39 GLU H H 39 7.799 7.980 -0.181 1
1 421 . 5 1 1 A 39 39 GLU HA H 39 4.203 4.241 -0.038 1
1 426 . 5 1 1 A 39 39 GLU C C 39 175.485 177.166 -1.681 1
1 427 . 5 1 1 A 39 39 GLU CA C 39 57.598 58.301 -0.703 1
1 428 . 5 1 1 A 39 39 GLU CB C 39 30.955 29.593 1.362 1
1 430 . 5 1 1 A 39 39 GLU N N 39 117.366 119.404 -2.038 1
1 431 . 5 1 1 A 40 40 LEU H H 40 7.001 7.343 -0.342 1
1 432 . 5 1 1 A 40 40 LEU HA H 40 4.205 4.515 -0.310 1
1 442 . 5 1 1 A 40 40 LEU C C 40 176.417 177.242 -0.825 1
1 443 . 5 1 1 A 40 40 LEU CA C 40 55.345 55.462 -0.117 1
1 444 . 5 1 1 A 40 40 LEU CB C 40 43.190 43.563 -0.373 1
1 448 . 5 1 1 A 40 40 LEU N N 40 116.615 118.677 -2.062 1
1 449 . 5 1 1 A 41 41 LEU H H 41 7.521 7.862 -0.341 1
1 450 . 5 1 1 A 41 41 LEU HA H 41 3.678 4.430 -0.752 1
1 460 . 5 1 1 A 41 41 LEU C C 41 177.754 177.956 -0.202 1
1 461 . 5 1 1 A 41 41 LEU CA C 41 57.050 57.233 -0.183 1
1 462 . 5 1 1 A 41 41 LEU CB C 41 42.155 41.607 0.548 1
1 466 . 5 1 1 A 41 41 LEU N N 41 117.814 121.245 -3.431 1
1 467 . 5 1 1 A 42 42 GLY H H 42 8.535 9.300 -0.765 1
1 468 . 5 1 1 A 42 42 GLY HA2 H 42 4.328 3.994 0.334 1
1 469 . 5 1 1 A 42 42 GLY HA3 H 42 3.601 3.995 -0.394 1
1 470 . 5 1 1 A 42 42 GLY C C 42 173.808 173.747 0.061 1
1 471 . 5 1 1 A 42 42 GLY CA C 42 45.689 45.430 0.259 1
1 472 . 5 1 1 A 42 42 GLY N N 42 110.496 112.018 -1.522 1
1 473 . 5 1 1 A 43 43 LYS H H 43 8.398 8.120 0.278 1
1 474 . 5 1 1 A 43 43 LYS HA H 43 4.680 4.631 0.049 1
1 483 . 5 1 1 A 43 43 LYS C C 43 173.943 175.327 -1.384 1
1 484 . 5 1 1 A 43 43 LYS CA C 43 54.361 54.475 -0.114 1
1 485 . 5 1 1 A 43 43 LYS CB C 43 33.960 34.476 -0.516 1
1 489 . 5 1 1 A 43 43 LYS N N 43 120.461 120.707 -0.246 1
1 490 . 5 1 1 A 44 44 ASN H H 44 8.892 8.241 0.651 1
1 491 . 5 1 1 A 44 44 ASN HA H 44 4.690 4.634 0.056 1
1 496 . 5 1 1 A 44 44 ASN C C 44 176.922 175.598 1.324 1
1 497 . 5 1 1 A 44 44 ASN CA C 44 52.256 53.106 -0.850 1
1 498 . 5 1 1 A 44 44 ASN CB C 44 40.451 39.477 0.974 1
1 499 . 5 1 1 A 44 44 ASN N N 44 119.869 121.659 -1.790 1
1 501 . 5 1 1 A 45 45 ILE H H 45 8.543 8.263 0.280 1
1 502 . 5 1 1 A 45 45 ILE HA H 45 3.887 3.643 0.244 1
1 511 . 5 1 1 A 45 45 ILE C C 45 176.137 177.023 -0.886 1
1 512 . 5 1 1 A 45 45 ILE CA C 45 65.116 64.120 0.996 1
1 513 . 5 1 1 A 45 45 ILE CB C 45 36.637 37.510 -0.873 1
1 517 . 5 1 1 A 45 45 ILE N N 45 129.131 127.241 1.890 1
1 518 . 5 1 1 A 46 46 VAL H H 46 9.059 7.308 1.751 1
1 519 . 5 1 1 A 46 46 VAL HA H 46 3.439 3.741 -0.302 1
1 527 . 5 1 1 A 46 46 VAL C C 46 178.407 178.160 0.247 1
1 528 . 5 1 1 A 46 46 VAL CA C 46 65.705 65.362 0.343 1
1 529 . 5 1 1 A 46 46 VAL CB C 46 31.022 31.151 -0.129 1
1 532 . 5 1 1 A 46 46 VAL N N 46 118.981 117.556 1.425 1
1 533 . 5 1 1 A 47 47 GLU H H 47 7.923 8.366 -0.443 1
1 534 . 5 1 1 A 47 47 GLU HA H 47 3.989 3.912 0.077 1
1 539 . 5 1 1 A 47 47 GLU C C 47 177.664 178.472 -0.808 1
1 540 . 5 1 1 A 47 47 GLU CA C 47 57.999 59.026 -1.027 1
1 541 . 5 1 1 A 47 47 GLU CB C 47 28.849 28.949 -0.100 1
1 543 . 5 1 1 A 47 47 GLU N N 47 117.733 121.559 -3.826 1
1 544 . 5 1 1 A 48 48 PHE H H 48 7.689 7.404 0.285 1
1 545 . 5 1 1 A 48 48 PHE HA H 48 4.177 4.238 -0.061 1
1 553 . 5 1 1 A 48 48 PHE C C 48 172.739 175.840 -3.101 1
1 554 . 5 1 1 A 48 48 PHE CA C 48 57.725 59.487 -1.762 1
1 555 . 5 1 1 A 48 48 PHE CB C 48 39.428 39.438 -0.010 1
1 561 . 5 1 1 A 48 48 PHE N N 48 117.768 115.180 2.588 1
1 562 . 5 1 1 A 49 49 CYS H H 49 7.413 7.346 0.067 1
1 563 . 5 1 1 A 49 49 CYS HA H 49 5.671 4.963 0.708 1
1 566 . 5 1 1 A 49 49 CYS CA C 49 56.429 60.032 -3.603 1
1 567 . 5 1 1 A 49 49 CYS CB C 49 28.747 28.134 0.613 1
1 568 . 5 1 1 A 49 49 CYS N N 49 119.705 118.380 1.325 1
1 569 . 5 1 1 A 50 50 HIS H H 50 8.640 8.543 0.097 1
1 570 . 5 1 1 A 50 50 HIS HA H 50 3.655 4.024 -0.369 1
1 574 . 5 1 1 A 50 50 HIS CA C 50 56.934 54.817 2.117 1
1 575 . 5 1 1 A 50 50 HIS CB C 50 32.071 30.247 1.824 1
1 577 . 5 1 1 A 50 50 HIS N N 50 134.180 124.838 9.342 1
1 578 . 5 1 1 A 51 51 PRO HA H 51 4.044 4.148 -0.104 1
1 584 . 5 1 1 A 51 51 PRO C C 51 179.121 179.004 0.117 1
1 585 . 5 1 1 A 51 51 PRO CA C 51 65.989 66.120 -0.131 1
1 586 . 5 1 1 A 51 51 PRO CB C 51 32.605 31.505 1.100 1
1 589 . 5 1 1 A 52 52 GLU H H 52 10.986 8.907 2.079 1
1 590 . 5 1 1 A 52 52 GLU HA H 52 4.125 4.121 0.004 1
1 595 . 5 1 1 A 52 52 GLU C C 52 177.643 177.383 0.260 1
1 596 . 5 1 1 A 52 52 GLU CA C 52 58.522 59.036 -0.514 1
1 597 . 5 1 1 A 52 52 GLU CB C 52 29.347 28.797 0.550 1
1 599 . 5 1 1 A 52 52 GLU N N 52 119.351 117.789 1.562 1
1 600 . 5 1 1 A 53 53 ASP H H 53 8.203 8.139 0.064 1
1 601 . 5 1 1 A 53 53 ASP HA H 53 4.898 4.607 0.291 1
1 604 . 5 1 1 A 53 53 ASP C C 53 175.641 177.483 -1.842 1
1 605 . 5 1 1 A 53 53 ASP CA C 53 54.092 54.940 -0.848 1
1 606 . 5 1 1 A 53 53 ASP CB C 53 43.596 41.537 2.059 1
1 607 . 5 1 1 A 53 53 ASP N N 53 117.757 117.757 0.000 1
1 608 . 5 1 1 A 54 54 GLN H H 54 6.922 7.962 -1.040 1
1 609 . 5 1 1 A 54 54 GLN HA H 54 3.985 3.931 0.054 1
1 616 . 5 1 1 A 54 54 GLN C C 54 177.417 178.689 -1.272 1
1 617 . 5 1 1 A 54 54 GLN CA C 54 60.084 59.000 1.084 1
1 618 . 5 1 1 A 54 54 GLN CB C 54 28.448 28.233 0.215 1
1 620 . 5 1 1 A 54 54 GLN N N 54 118.680 119.427 -0.747 1
1 622 . 5 1 1 A 55 55 GLN H H 55 8.663 7.990 0.673 1
1 623 . 5 1 1 A 55 55 GLN HA H 55 3.778 4.041 -0.263 1
1 630 . 5 1 1 A 55 55 GLN C C 55 177.398 178.153 -0.755 1
1 631 . 5 1 1 A 55 55 GLN CA C 55 58.812 58.567 0.245 1
1 632 . 5 1 1 A 55 55 GLN CB C 55 27.402 28.352 -0.950 1
1 634 . 5 1 1 A 55 55 GLN N N 55 119.173 119.841 -0.668 1
1 636 . 5 1 1 A 56 56 LEU H H 56 7.935 7.652 0.283 1
1 637 . 5 1 1 A 56 56 LEU HA H 56 4.071 4.089 -0.018 1
1 647 . 5 1 1 A 56 56 LEU C C 56 180.037 178.023 2.014 1
1 648 . 5 1 1 A 56 56 LEU CA C 56 57.698 57.458 0.240 1
1 649 . 5 1 1 A 56 56 LEU CB C 56 41.586 42.251 -0.665 1
1 653 . 5 1 1 A 56 56 LEU N N 56 119.661 120.607 -0.946 1
1 654 . 5 1 1 A 57 57 LEU H H 57 7.382 7.960 -0.578 1
1 655 . 5 1 1 A 57 57 LEU HA H 57 3.575 3.624 -0.049 1
1 665 . 5 1 1 A 57 57 LEU C C 57 178.470 178.195 0.275 1
1 666 . 5 1 1 A 57 57 LEU CA C 57 57.703 58.172 -0.469 1
1 667 . 5 1 1 A 57 57 LEU CB C 57 42.077 41.514 0.563 1
1 671 . 5 1 1 A 57 57 LEU N N 57 119.857 119.932 -0.075 1
1 672 . 5 1 1 A 58 58 ARG H H 58 8.118 8.570 -0.452 1
1 673 . 5 1 1 A 58 58 ARG HA H 58 3.338 3.857 -0.519 1
1 680 . 5 1 1 A 58 58 ARG C C 58 179.713 178.664 1.049 1
1 681 . 5 1 1 A 58 58 ARG CA C 58 60.120 59.658 0.462 1
1 682 . 5 1 1 A 58 58 ARG CB C 58 30.320 29.840 0.480 1
1 685 . 5 1 1 A 58 58 ARG N N 58 118.198 117.854 0.344 1
1 686 . 5 1 1 A 59 59 ASP H H 59 8.748 7.989 0.759 1
1 687 . 5 1 1 A 59 59 ASP HA H 59 4.336 4.268 0.068 1
1 690 . 5 1 1 A 59 59 ASP C C 59 179.130 177.600 1.530 1
1 691 . 5 1 1 A 59 59 ASP CA C 59 57.197 57.562 -0.365 1
1 692 . 5 1 1 A 59 59 ASP CB C 59 40.212 41.833 -1.621 1
1 693 . 5 1 1 A 59 59 ASP N N 59 119.165 119.844 -0.679 1
1 694 . 5 1 1 A 60 60 SER H H 60 7.552 7.939 -0.387 1
1 695 . 5 1 1 A 60 60 SER HA H 60 4.116 4.016 0.100 1
1 698 . 5 1 1 A 60 60 SER C C 60 175.883 177.651 -1.768 1
1 699 . 5 1 1 A 60 60 SER CA C 60 61.975 61.315 0.660 1
1 700 . 5 1 1 A 60 60 SER CB C 60 63.098 62.418 0.680 1
1 701 . 5 1 1 A 60 60 SER N N 60 117.761 113.969 3.792 1
1 702 . 5 1 1 A 61 61 PHE H H 61 7.063 7.425 -0.362 1
1 703 . 5 1 1 A 61 61 PHE HA H 61 4.614 4.364 0.250 1
1 711 . 5 1 1 A 61 61 PHE C C 61 177.561 178.404 -0.843 1
1 712 . 5 1 1 A 61 61 PHE CA C 61 56.777 61.896 -5.119 1
1 713 . 5 1 1 A 61 61 PHE CB C 61 36.564 38.347 -1.783 1
1 719 . 5 1 1 A 61 61 PHE N N 61 122.009 119.573 2.436 1
1 720 . 5 1 1 A 62 62 GLN H H 62 7.376 8.381 -1.005 1
1 721 . 5 1 1 A 62 62 GLN HA H 62 4.038 4.015 0.023 1
1 726 . 5 1 1 A 62 62 GLN C C 62 179.093 178.808 0.285 1
1 727 . 5 1 1 A 62 62 GLN CA C 62 58.240 59.248 -1.008 1
1 728 . 5 1 1 A 62 62 GLN CB C 62 28.094 28.315 -0.221 1
1 730 . 5 1 1 A 62 62 GLN N N 62 114.929 118.545 -3.616 1
1 731 . 5 1 1 A 63 63 GLN H H 63 7.893 7.899 -0.006 1
1 732 . 5 1 1 A 63 63 GLN HA H 63 4.083 4.201 -0.118 1
1 737 . 5 1 1 A 63 63 GLN C C 63 178.244 178.517 -0.273 1
1 738 . 5 1 1 A 63 63 GLN CA C 63 58.408 58.288 0.120 1
1 739 . 5 1 1 A 63 63 GLN CB C 63 28.755 28.583 0.172 1
1 741 . 5 1 1 A 63 63 GLN N N 63 117.434 120.058 -2.624 1
1 742 . 5 1 1 A 64 64 VAL H H 64 8.220 8.194 0.026 1
1 743 . 5 1 1 A 64 64 VAL HA H 64 3.663 4.045 -0.382 1
1 751 . 5 1 1 A 64 64 VAL C C 64 177.137 178.082 -0.945 1
1 752 . 5 1 1 A 64 64 VAL CA C 64 66.107 65.597 0.510 1
1 753 . 5 1 1 A 64 64 VAL CB C 64 31.475 31.533 -0.058 1
1 756 . 5 1 1 A 64 64 VAL N N 64 118.766 117.346 1.420 1
1 757 . 5 1 1 A 65 65 VAL H H 65 6.860 7.637 -0.777 1
1 758 . 5 1 1 A 65 65 VAL HA H 65 3.833 3.888 -0.055 1
1 766 . 5 1 1 A 65 65 VAL C C 65 177.624 177.977 -0.353 1
1 767 . 5 1 1 A 65 65 VAL CA C 65 64.200 64.820 -0.620 1
1 768 . 5 1 1 A 65 65 VAL CB C 65 31.730 31.721 0.009 1
1 771 . 5 1 1 A 65 65 VAL N N 65 112.590 122.339 -9.749 1
1 772 . 5 1 1 A 66 66 LYS H H 66 7.431 7.829 -0.398 1
1 773 . 5 1 1 A 66 66 LYS HA H 66 4.184 4.013 0.171 1
1 782 . 5 1 1 A 66 66 LYS C C 66 177.374 178.251 -0.877 1
1 783 . 5 1 1 A 66 66 LYS CA C 66 58.190 59.701 -1.511 1
1 784 . 5 1 1 A 66 66 LYS CB C 66 33.232 32.650 0.582 1
1 788 . 5 1 1 A 66 66 LYS N N 66 119.643 122.113 -2.470 1
1 789 . 5 1 1 A 67 67 LEU H H 67 7.859 8.181 -0.322 1
1 790 . 5 1 1 A 67 67 LEU HA H 67 4.552 4.313 0.239 1
1 800 . 5 1 1 A 67 67 LEU C C 67 175.532 175.917 -0.385 1
1 801 . 5 1 1 A 67 67 LEU CA C 67 53.108 55.361 -2.253 1
1 802 . 5 1 1 A 67 67 LEU CB C 67 40.979 41.715 -0.736 1
1 806 . 5 1 1 A 67 67 LEU N N 67 121.288 117.967 3.321 1
1 807 . 5 1 1 A 68 68 LYS H H 68 7.475 8.153 -0.678 1
1 808 . 5 1 1 A 68 68 LYS HA H 68 4.156 4.037 0.119 1
1 817 . 5 1 1 A 68 68 LYS C C 68 177.987 176.404 1.583 1
1 818 . 5 1 1 A 68 68 LYS CA C 68 58.388 57.273 1.115 1
1 819 . 5 1 1 A 68 68 LYS CB C 68 32.207 31.047 1.160 1
1 823 . 5 1 1 A 68 68 LYS N N 68 119.626 117.024 2.602 1
1 824 . 5 1 1 A 69 69 GLY H H 69 8.696 8.136 0.560 1
1 825 . 5 1 1 A 69 69 GLY HA2 H 69 4.294 4.049 0.245 1
1 826 . 5 1 1 A 69 69 GLY HA3 H 69 3.896 4.052 -0.156 1
1 827 . 5 1 1 A 69 69 GLY CA C 69 45.335 45.142 0.193 1
1 828 . 5 1 1 A 69 69 GLY N N 69 113.681 105.283 8.398 1
1 829 . 5 1 1 A 70 70 GLN H H 70 8.031 7.944 0.087 1
1 830 . 5 1 1 A 70 70 GLN HA H 70 4.508 4.271 0.237 1
1 835 . 5 1 1 A 70 70 GLN C C 70 174.684 175.644 -0.960 1
1 836 . 5 1 1 A 70 70 GLN CA C 70 55.347 56.443 -1.096 1
1 837 . 5 1 1 A 70 70 GLN CB C 70 30.111 29.331 0.780 1
1 839 . 5 1 1 A 70 70 GLN N N 70 119.949 121.834 -1.885 1
1 840 . 5 1 1 A 71 71 VAL H H 71 8.232 8.683 -0.451 1
1 841 . 5 1 1 A 71 71 VAL HA H 71 4.822 4.676 0.146 1
1 849 . 5 1 1 A 71 71 VAL C C 71 176.406 175.462 0.944 1
1 850 . 5 1 1 A 71 71 VAL CA C 71 61.198 62.260 -1.062 1
1 851 . 5 1 1 A 71 71 VAL CB C 71 32.964 32.195 0.769 1
1 854 . 5 1 1 A 71 71 VAL N N 71 121.816 126.426 -4.610 1
1 855 . 5 1 1 A 72 72 LEU H H 72 9.052 9.158 -0.106 1
1 856 . 5 1 1 A 72 72 LEU HA H 72 4.827 5.249 -0.422 1
1 865 . 5 1 1 A 72 72 LEU C C 72 175.411 175.410 0.001 1
1 866 . 5 1 1 A 72 72 LEU CA C 72 52.895 53.714 -0.819 1
1 867 . 5 1 1 A 72 72 LEU CB C 72 44.755 44.995 -0.240 1
1 870 . 5 1 1 A 72 72 LEU N N 72 130.331 127.976 2.355 1
1 871 . 5 1 1 A 73 73 SER H H 73 8.057 9.140 -1.083 1
1 872 . 5 1 1 A 73 73 SER HA H 73 5.211 5.705 -0.494 1
1 875 . 5 1 1 A 73 73 SER C C 73 174.562 173.138 1.424 1
1 876 . 5 1 1 A 73 73 SER CA C 73 56.591 56.760 -0.169 1
1 877 . 5 1 1 A 73 73 SER CB C 73 66.336 64.803 1.533 1
1 878 . 5 1 1 A 73 73 SER N N 73 113.040 119.770 -6.730 1
1 879 . 5 1 1 A 74 74 VAL H H 74 8.799 8.675 0.124 1
1 880 . 5 1 1 A 74 74 VAL HA H 74 4.705 4.976 -0.271 1
1 888 . 5 1 1 A 74 74 VAL C C 74 174.122 174.011 0.111 1
1 889 . 5 1 1 A 74 74 VAL CA C 74 59.403 59.531 -0.128 1
1 890 . 5 1 1 A 74 74 VAL CB C 74 35.474 35.781 -0.307 1
1 893 . 5 1 1 A 74 74 VAL N N 74 122.721 121.913 0.808 1
1 894 . 5 1 1 A 75 75 MET H H 75 8.195 8.808 -0.613 1
1 895 . 5 1 1 A 75 75 MET HA H 75 5.922 6.099 -0.177 1
1 903 . 5 1 1 A 75 75 MET C C 75 175.531 175.696 -0.165 1
1 904 . 5 1 1 A 75 75 MET CA C 75 54.021 53.984 0.037 1
1 905 . 5 1 1 A 75 75 MET CB C 75 34.750 34.083 0.667 1
1 908 . 5 1 1 A 75 75 MET N N 75 120.057 123.697 -3.640 1
1 909 . 5 1 1 A 76 76 PHE H H 76 9.394 9.052 0.342 1
1 910 . 5 1 1 A 76 76 PHE HA H 76 5.004 5.072 -0.068 1
1 918 . 5 1 1 A 76 76 PHE C C 76 171.623 172.304 -0.681 1
1 919 . 5 1 1 A 76 76 PHE CA C 76 55.802 55.572 0.230 1
1 920 . 5 1 1 A 76 76 PHE CB C 76 42.072 42.017 0.055 1
1 926 . 5 1 1 A 76 76 PHE N N 76 120.244 119.924 0.320 1
1 927 . 5 1 1 A 77 77 ARG H H 77 8.783 8.161 0.622 1
1 928 . 5 1 1 A 77 77 ARG HA H 77 4.420 4.201 0.219 1
1 936 . 5 1 1 A 77 77 ARG C C 77 173.455 174.662 -1.207 1
1 937 . 5 1 1 A 77 77 ARG CA C 77 54.218 55.100 -0.882 1
1 938 . 5 1 1 A 77 77 ARG CB C 77 32.439 30.256 2.183 1
1 941 . 5 1 1 A 77 77 ARG N N 77 121.379 119.012 2.367 1
1 943 . 5 1 1 A 78 78 PHE H H 78 9.258 9.198 0.060 1
1 944 . 5 1 1 A 78 78 PHE HA H 78 5.438 5.140 0.298 1
1 952 . 5 1 1 A 78 78 PHE C C 78 175.873 174.471 1.402 1
1 953 . 5 1 1 A 78 78 PHE CA C 78 55.173 56.815 -1.642 1
1 954 . 5 1 1 A 78 78 PHE CB C 78 44.530 39.741 4.789 1
1 960 . 5 1 1 A 78 78 PHE N N 78 128.097 126.356 1.741 1
1 961 . 5 1 1 A 79 79 ARG H H 79 9.242 8.866 0.376 1
1 962 . 5 1 1 A 79 79 ARG HA H 79 4.201 4.663 -0.462 1
1 969 . 5 1 1 A 79 79 ARG C C 79 175.316 175.889 -0.573 1
1 970 . 5 1 1 A 79 79 ARG CA C 79 55.255 56.776 -1.521 1
1 971 . 5 1 1 A 79 79 ARG CB C 79 29.358 30.583 -1.225 1
1 974 . 5 1 1 A 79 79 ARG N N 79 129.898 130.501 -0.603 1
1 975 . 5 1 1 A 80 80 SER H H 80 9.253 8.829 0.424 1
1 976 . 5 1 1 A 80 80 SER HA H 80 4.772 5.253 -0.481 1
1 979 . 5 1 1 A 80 80 SER C C 80 174.983 175.269 -0.286 1
1 980 . 5 1 1 A 80 80 SER CA C 80 58.191 57.226 0.965 1
1 981 . 5 1 1 A 80 80 SER CB C 80 64.930 65.435 -0.505 1
1 982 . 5 1 1 A 80 80 SER N N 80 128.002 120.780 7.222 1
1 983 . 5 1 1 A 81 81 LYS H H 81 8.065 8.851 -0.786 1
1 984 . 5 1 1 A 81 81 LYS HA H 81 3.675 3.537 0.138 1
1 993 . 5 1 1 A 81 81 LYS C C 81 177.417 177.487 -0.070 1
1 994 . 5 1 1 A 81 81 LYS CA C 81 59.236 58.688 0.548 1
1 995 . 5 1 1 A 81 81 LYS CB C 81 31.641 31.951 -0.310 1
1 999 . 5 1 1 A 81 81 LYS N N 81 123.505 121.330 2.175 1
1 1000 . 5 1 1 A 82 82 ASN H H 82 7.934 7.669 0.265 1
1 1001 . 5 1 1 A 82 82 ASN HA H 82 4.679 4.795 -0.116 1
1 1006 . 5 1 1 A 82 82 ASN C C 82 173.949 174.051 -0.102 1
1 1007 . 5 1 1 A 82 82 ASN CA C 82 52.764 52.829 -0.065 1
1 1008 . 5 1 1 A 82 82 ASN CB C 82 37.428 38.620 -1.192 1
1 1009 . 5 1 1 A 82 82 ASN N N 82 115.202 114.356 0.846 1
1 1011 . 5 1 1 A 83 83 GLN H H 83 8.099 7.992 0.107 1
1 1012 . 5 1 1 A 83 83 GLN HA H 83 3.382 3.758 -0.376 1
1 1019 . 5 1 1 A 83 83 GLN C C 83 174.208 174.082 0.126 1
1 1020 . 5 1 1 A 83 83 GLN CA C 83 56.400 56.920 -0.520 1
1 1021 . 5 1 1 A 83 83 GLN CB C 83 25.003 26.004 -1.001 1
1 1023 . 5 1 1 A 83 83 GLN N N 83 112.357 115.954 -3.597 1
1 1025 . 5 1 1 A 84 84 GLU H H 84 7.385 7.658 -0.273 1
1 1026 . 5 1 1 A 84 84 GLU HA H 84 4.322 4.700 -0.378 1
1 1031 . 5 1 1 A 84 84 GLU CA C 84 54.720 54.800 -0.080 1
1 1032 . 5 1 1 A 84 84 GLU CB C 84 31.713 32.316 -0.603 1
1 1034 . 5 1 1 A 84 84 GLU N N 84 117.557 116.764 0.793 1
1 1035 . 5 1 1 A 85 85 TRP H H 85 8.645 8.764 -0.119 1
1 1036 . 5 1 1 A 85 85 TRP HA H 85 5.145 4.795 0.350 1
1 1045 . 5 1 1 A 85 85 TRP C C 85 175.772 175.722 0.050 1
1 1046 . 5 1 1 A 85 85 TRP CA C 85 55.591 57.030 -1.439 1
1 1047 . 5 1 1 A 85 85 TRP CB C 85 30.113 28.033 2.080 1
1 1053 . 5 1 1 A 85 85 TRP N N 85 121.388 123.631 -2.243 1
1 1055 . 5 1 1 A 86 86 LEU H H 86 9.348 8.763 0.585 1
1 1056 . 5 1 1 A 86 86 LEU HA H 86 4.847 4.746 0.101 1
1 1066 . 5 1 1 A 86 86 LEU C C 86 176.991 176.369 0.622 1
1 1067 . 5 1 1 A 86 86 LEU CA C 86 53.102 54.647 -1.545 1
1 1068 . 5 1 1 A 86 86 LEU CB C 86 44.527 41.444 3.083 1
1 1071 . 5 1 1 A 86 86 LEU N N 86 126.537 125.749 0.788 1
1 1072 . 5 1 1 A 87 87 TRP H H 87 8.870 8.887 -0.017 1
1 1073 . 5 1 1 A 87 87 TRP HA H 87 4.465 4.977 -0.512 1
1 1082 . 5 1 1 A 87 87 TRP C C 87 175.731 176.956 -1.225 1
1 1083 . 5 1 1 A 87 87 TRP CA C 87 59.207 58.586 0.621 1
1 1084 . 5 1 1 A 87 87 TRP CB C 87 29.736 30.200 -0.464 1
1 1090 . 5 1 1 A 87 87 TRP N N 87 123.902 126.796 -2.894 1
1 1092 . 5 1 1 A 88 88 MET H H 88 9.432 9.090 0.342 1
1 1093 . 5 1 1 A 88 88 MET HA H 88 5.267 5.559 -0.292 1
1 1101 . 5 1 1 A 88 88 MET C C 88 174.713 174.226 0.487 1
1 1102 . 5 1 1 A 88 88 MET CA C 88 52.557 54.245 -1.688 1
1 1103 . 5 1 1 A 88 88 MET CB C 88 36.139 37.308 -1.169 1
1 1106 . 5 1 1 A 88 88 MET N N 88 123.412 121.705 1.707 1
1 1107 . 5 1 1 A 89 89 ARG H H 89 9.282 8.973 0.309 1
1 1108 . 5 1 1 A 89 89 ARG HA H 89 5.702 5.175 0.527 1
1 1115 . 5 1 1 A 89 89 ARG C C 89 177.137 175.733 1.404 1
1 1116 . 5 1 1 A 89 89 ARG CA C 89 54.266 54.686 -0.420 1
1 1117 . 5 1 1 A 89 89 ARG CB C 89 34.404 32.249 2.155 1
1 1120 . 5 1 1 A 89 89 ARG N N 89 119.570 120.618 -1.048 1
1 1121 . 5 1 1 A 90 90 THR H H 90 9.298 9.122 0.176 1
1 1122 . 5 1 1 A 90 90 THR HA H 90 5.625 5.257 0.368 1
1 1127 . 5 1 1 A 90 90 THR C C 90 176.787 174.452 2.335 1
1 1128 . 5 1 1 A 90 90 THR CA C 90 60.327 60.487 -0.160 1
1 1129 . 5 1 1 A 90 90 THR CB C 90 72.187 70.357 1.830 1
1 1131 . 5 1 1 A 90 90 THR N N 90 115.133 117.853 -2.720 1
1 1132 . 5 1 1 A 91 91 SER H H 91 8.194 8.751 -0.557 1
1 1133 . 5 1 1 A 91 91 SER HA H 91 4.860 5.129 -0.269 1
1 1136 . 5 1 1 A 91 91 SER C C 91 175.171 173.298 1.873 1
1 1137 . 5 1 1 A 91 91 SER CA C 91 59.224 57.243 1.981 1
1 1138 . 5 1 1 A 91 91 SER CB C 91 64.094 63.749 0.345 1
1 1139 . 5 1 1 A 91 91 SER N N 91 114.043 121.070 -7.027 1
1 1140 . 5 1 1 A 92 92 SER H H 92 9.864 8.126 1.738 1
1 1141 . 5 1 1 A 92 92 SER HA H 92 6.204 5.110 1.094 1
1 1144 . 5 1 1 A 92 92 SER C C 92 171.748 174.071 -2.323 1
1 1145 . 5 1 1 A 92 92 SER CA C 92 58.818 59.569 -0.751 1
1 1146 . 5 1 1 A 92 92 SER CB C 92 66.419 64.165 2.254 1
1 1147 . 5 1 1 A 92 92 SER N N 92 125.442 121.787 3.655 1
1 1148 . 5 1 1 A 93 93 GLN H H 93 8.873 8.777 0.096 1
1 1149 . 5 1 1 A 93 93 GLN HA H 93 5.048 5.124 -0.076 1
1 1156 . 5 1 1 A 93 93 GLN C C 93 174.145 174.646 -0.501 1
1 1157 . 5 1 1 A 93 93 GLN CA C 93 54.262 54.412 -0.150 1
1 1158 . 5 1 1 A 93 93 GLN CB C 93 33.131 32.647 0.484 1
1 1160 . 5 1 1 A 93 93 GLN N N 93 117.328 122.300 -4.972 1
1 1162 . 5 1 1 A 94 94 THR H H 94 8.846 8.658 0.188 1
1 1163 . 5 1 1 A 94 94 THR HA H 94 3.979 4.546 -0.567 1
1 1168 . 5 1 1 A 94 94 THR C C 94 174.677 174.562 0.115 1
1 1169 . 5 1 1 A 94 94 THR CA C 94 64.467 62.623 1.844 1
1 1170 . 5 1 1 A 94 94 THR CB C 94 68.894 69.220 -0.326 1
1 1172 . 5 1 1 A 94 94 THR N N 94 116.526 113.317 3.209 1
1 1173 . 5 1 1 A 95 95 ALA H H 95 8.188 8.662 -0.474 1
1 1174 . 5 1 1 A 95 95 ALA HA H 95 4.161 4.350 -0.189 1
1 1178 . 5 1 1 A 95 95 ALA C C 95 176.285 178.010 -1.725 1
1 1179 . 5 1 1 A 95 95 ALA CA C 95 51.847 52.400 -0.553 1
1 1180 . 5 1 1 A 95 95 ALA CB C 95 18.999 20.388 -1.389 1
1 1181 . 5 1 1 A 95 95 ALA N N 95 126.311 128.171 -1.860 1
1 1182 . 5 1 1 A 96 96 GLN H H 96 8.324 8.686 -0.362 1
1 1183 . 5 1 1 A 96 96 GLN HA H 96 4.175 4.206 -0.031 1
1 1190 . 5 1 1 A 96 96 GLN C C 96 176.230 175.530 0.700 1
1 1191 . 5 1 1 A 96 96 GLN CA C 96 54.621 57.934 -3.313 1
1 1192 . 5 1 1 A 96 96 GLN CB C 96 30.003 28.923 1.080 1
1 1194 . 5 1 1 A 96 96 GLN N N 96 116.920 119.308 -2.388 1
1 1196 . 5 1 1 A 97 97 ASN H H 97 8.512 7.500 1.012 1
1 1197 . 5 1 1 A 97 97 ASN HA H 97 4.436 4.708 -0.272 1
1 1200 . 5 1 1 A 97 97 ASN CA C 97 52.928 50.758 2.170 1
1 1201 . 5 1 1 A 97 97 ASN CB C 97 37.851 40.943 -3.092 1
1 1202 . 5 1 1 A 97 97 ASN N N 97 119.656 112.995 6.661 1
1 1203 . 5 1 1 A 98 98 PRO HA H 98 4.566 4.315 0.251 1
1 1210 . 5 1 1 A 98 98 PRO C C 98 175.164 175.995 -0.831 1
1 1211 . 5 1 1 A 98 98 PRO CA C 98 63.824 63.564 0.260 1
1 1212 . 5 1 1 A 98 98 PRO CB C 98 32.473 32.278 0.195 1
1 1215 . 5 1 1 A 99 99 TYR H H 99 8.780 7.100 1.680 1
1 1216 . 5 1 1 A 99 99 TYR HA H 99 4.996 4.678 0.318 1
1 1223 . 5 1 1 A 99 99 TYR C C 99 176.421 176.165 0.256 1
1 1224 . 5 1 1 A 99 99 TYR CA C 99 55.837 57.731 -1.894 1
1 1225 . 5 1 1 A 99 99 TYR CB C 99 37.199 37.779 -0.580 1
1 1230 . 5 1 1 A 99 99 TYR N N 99 127.975 119.364 8.611 1
1 1231 . 5 1 1 A 100 100 SER H H 100 7.655 8.034 -0.379 1
1 1232 . 5 1 1 A 100 100 SER HA H 100 4.274 4.362 -0.088 1
1 1235 . 5 1 1 A 100 100 SER C C 100 174.144 176.618 -2.474 1
1 1236 . 5 1 1 A 100 100 SER CA C 100 60.567 61.338 -0.771 1
1 1237 . 5 1 1 A 100 100 SER CB C 100 63.266 62.965 0.301 1
1 1238 . 5 1 1 A 100 100 SER N N 100 113.164 117.504 -4.340 1
1 1239 . 5 1 1 A 101 101 ASP H H 101 8.736 8.449 0.287 1
1 1240 . 5 1 1 A 101 101 ASP HA H 101 4.688 4.537 0.151 1
1 1243 . 5 1 1 A 101 101 ASP C C 101 175.535 176.785 -1.250 1
1 1244 . 5 1 1 A 101 101 ASP CA C 101 54.103 55.107 -1.004 1
1 1245 . 5 1 1 A 101 101 ASP CB C 101 40.098 39.882 0.216 1
1 1246 . 5 1 1 A 101 101 ASP N N 101 118.476 117.720 0.756 1
1 1247 . 5 1 1 A 102 102 GLU H H 102 8.127 8.479 -0.352 1
1 1248 . 5 1 1 A 102 102 GLU HA H 102 4.448 4.712 -0.264 1
1 1253 . 5 1 1 A 102 102 GLU CA C 102 54.963 55.474 -0.511 1
1 1254 . 5 1 1 A 102 102 GLU CB C 102 31.769 31.506 0.263 1
1 1256 . 5 1 1 A 102 102 GLU N N 102 119.744 119.565 0.179 1
1 1257 . 5 1 1 A 103 103 ILE H H 103 8.645 8.550 0.095 1
1 1258 . 5 1 1 A 103 103 ILE HA H 103 4.001 4.704 -0.703 1
1 1268 . 5 1 1 A 103 103 ILE C C 103 174.065 174.585 -0.520 1
1 1269 . 5 1 1 A 103 103 ILE CA C 103 60.418 60.934 -0.516 1
1 1270 . 5 1 1 A 103 103 ILE CB C 103 40.781 40.790 -0.009 1
1 1274 . 5 1 1 A 103 103 ILE N N 103 121.388 120.425 0.963 1
1 1275 . 5 1 1 A 104 104 GLU H H 104 8.957 9.100 -0.143 1
1 1276 . 5 1 1 A 104 104 GLU HA H 104 5.099 4.556 0.543 1
1 1281 . 5 1 1 A 104 104 GLU C C 104 175.093 175.249 -0.156 1
1 1282 . 5 1 1 A 104 104 GLU CA C 104 54.898 56.182 -1.284 1
1 1283 . 5 1 1 A 104 104 GLU CB C 104 32.330 30.111 2.219 1
1 1285 . 5 1 1 A 104 104 GLU N N 104 125.935 128.369 -2.434 1
1 1286 . 5 1 1 A 105 105 THR H H 105 8.774 8.794 -0.020 1
1 1287 . 5 1 1 A 105 105 THR HA H 105 5.226 4.972 0.254 1
1 1292 . 5 1 1 A 105 105 THR C C 105 174.876 173.712 1.164 1
1 1293 . 5 1 1 A 105 105 THR CA C 105 61.469 62.259 -0.790 1
1 1294 . 5 1 1 A 105 105 THR CB C 105 70.382 70.113 0.269 1
1 1296 . 5 1 1 A 105 105 THR N N 105 127.200 121.544 5.656 1
1 1297 . 5 1 1 A 106 106 ILE H H 106 9.186 9.010 0.176 1
1 1298 . 5 1 1 A 106 106 ILE HA H 106 4.486 4.644 -0.158 1
1 1308 . 5 1 1 A 106 106 ILE C C 106 175.412 175.156 0.256 1
1 1309 . 5 1 1 A 106 106 ILE CA C 106 61.423 60.538 0.885 1
1 1310 . 5 1 1 A 106 106 ILE CB C 106 38.432 37.702 0.730 1
1 1313 . 5 1 1 A 106 106 ILE N N 106 107.991 128.365 -20.374 1
1 1314 . 5 1 1 A 107 107 ILE H H 107 8.431 8.268 0.163 1
1 1315 . 5 1 1 A 107 107 ILE HA H 107 4.239 4.446 -0.207 1
1 1325 . 5 1 1 A 107 107 ILE C C 107 173.805 174.672 -0.867 1
1 1326 . 5 1 1 A 107 107 ILE CA C 107 61.459 60.774 0.685 1
1 1327 . 5 1 1 A 107 107 ILE CB C 107 37.499 36.983 0.516 1
1 1331 . 5 1 1 A 107 107 ILE N N 107 129.202 128.447 0.755 1
1 1332 . 5 1 1 A 108 108 CYS H H 108 8.581 9.154 -0.573 1
1 1333 . 5 1 1 A 108 108 CYS HA H 108 5.298 5.197 0.101 1
1 1336 . 5 1 1 A 108 108 CYS C C 108 174.235 173.997 0.238 1
1 1337 . 5 1 1 A 108 108 CYS CA C 108 55.861 56.955 -1.094 1
1 1338 . 5 1 1 A 108 108 CYS CB C 108 31.110 30.909 0.201 1
1 1339 . 5 1 1 A 108 108 CYS N N 108 124.561 127.977 -3.416 1
1 1340 . 5 1 1 A 109 109 THR H H 109 8.701 8.792 -0.091 1
1 1341 . 5 1 1 A 109 109 THR HA H 109 4.733 4.477 0.256 1
1 1346 . 5 1 1 A 109 109 THR C C 109 174.927 174.023 0.904 1
1 1347 . 5 1 1 A 109 109 THR CA C 109 63.466 62.414 1.052 1
1 1348 . 5 1 1 A 109 109 THR CB C 109 69.636 69.606 0.030 1
1 1350 . 5 1 1 A 109 109 THR N N 109 119.017 118.805 0.212 1
1 1351 . 5 1 1 A 110 110 ASN H H 110 8.527 8.706 -0.179 1
1 1352 . 5 1 1 A 110 110 ASN HA H 110 4.891 4.799 0.092 1
1 1357 . 5 1 1 A 110 110 ASN C C 110 174.829 174.771 0.058 1
1 1358 . 5 1 1 A 110 110 ASN CA C 110 53.104 51.375 1.729 1
1 1359 . 5 1 1 A 110 110 ASN CB C 110 39.813 40.326 -0.513 1
1 1360 . 5 1 1 A 110 110 ASN N N 110 122.861 122.936 -0.075 1
1 1362 . 5 1 1 A 111 111 THR H H 111 8.159 8.604 -0.445 1
1 1363 . 5 1 1 A 111 111 THR HA H 111 4.407 4.431 -0.024 1
1 1368 . 5 1 1 A 111 111 THR C C 111 174.189 174.057 0.132 1
1 1369 . 5 1 1 A 111 111 THR CA C 111 61.900 62.108 -0.208 1
1 1370 . 5 1 1 A 111 111 THR CB C 111 69.400 68.261 1.139 1
1 1372 . 5 1 1 A 111 111 THR N N 111 114.879 116.026 -1.147 1
1 1373 . 5 1 1 A 112 112 ASN H H 112 8.359 9.012 -0.653 1
1 1374 . 5 1 1 A 112 112 ASN N N 112 121.000 117.554 3.446 1
1 1375 . 5 1 1 A 117 117 SER C C 117 174.242 172.105 2.137 1
1 1376 . 5 1 1 A 117 117 SER CA C 117 58.557 57.476 1.081 1
1 1377 . 5 1 1 A 117 117 SER CB C 117 63.729 64.169 -0.440 1
1 1378 . 5 1 1 A 118 118 GLN H H 118 8.304 8.440 -0.136 1
1 1379 . 5 1 1 A 118 118 GLN C C 118 174.889 177.017 -2.128 1
1 1380 . 5 1 1 A 118 118 GLN CA C 118 55.764 56.250 -0.486 1
1 1381 . 5 1 1 A 118 118 GLN CB C 118 29.659 29.254 0.405 1
1 1382 . 5 1 1 A 118 118 GLN N N 118 122.171 120.933 1.238 1
1 1 . 6 1 1 A 2 2 ALA HA H 2 4.298 4.434 -0.136 1
1 5 . 6 1 1 A 2 2 ALA CA C 2 53.448 51.399 2.049 1
1 6 . 6 1 1 A 2 2 ALA CB C 2 19.236 18.629 0.607 1
1 7 . 6 1 1 A 3 3 MET H H 3 8.518 7.484 1.034 1
1 12 . 6 1 1 A 3 3 MET N N 3 117.762 118.537 -0.775 1
1 13 . 6 1 1 A 4 4 ASP CA C 4 54.632 53.645 0.987 1
1 14 . 6 1 1 A 4 4 ASP CB C 4 41.102 41.543 -0.441 1
1 15 . 6 1 1 A 5 5 ASN H H 5 8.332 8.154 0.178 1
1 18 . 6 1 1 A 5 5 ASN CA C 5 53.361 55.398 -2.037 1
1 19 . 6 1 1 A 5 5 ASN CB C 5 38.775 37.234 1.541 1
1 20 . 6 1 1 A 5 5 ASN N N 5 118.200 116.740 1.460 1
1 22 . 6 1 1 A 6 6 VAL H H 6 7.939 8.236 -0.297 1
1 23 . 6 1 1 A 6 6 VAL HA H 6 4.142 4.974 -0.832 1
1 31 . 6 1 1 A 6 6 VAL CA C 6 62.634 59.673 2.961 1
1 32 . 6 1 1 A 6 6 VAL CB C 6 32.598 34.948 -2.350 1
1 35 . 6 1 1 A 6 6 VAL N N 6 120.396 119.905 0.491 1
1 36 . 6 1 1 A 7 7 CYS H H 7 8.304 8.747 -0.443 1
1 37 . 6 1 1 A 7 7 CYS CA C 7 56.095 62.441 -6.346 1
1 38 . 6 1 1 A 7 7 CYS CB C 7 32.967 27.263 5.704 1
1 39 . 6 1 1 A 7 7 CYS N N 7 124.774 124.941 -0.167 1
1 40 . 6 1 1 A 9 9 PRO HA H 9 4.547 4.750 -0.203 1
1 46 . 6 1 1 A 9 9 PRO C C 9 176.493 175.727 0.766 1
1 47 . 6 1 1 A 9 9 PRO CA C 9 63.142 62.371 0.771 1
1 48 . 6 1 1 A 9 9 PRO CB C 9 32.554 33.171 -0.617 1
1 51 . 6 1 1 A 10 10 THR H H 10 8.368 8.740 -0.372 1
1 52 . 6 1 1 A 10 10 THR HA H 10 4.418 4.422 -0.004 1
1 57 . 6 1 1 A 10 10 THR C C 10 172.743 173.574 -0.831 1
1 58 . 6 1 1 A 10 10 THR CA C 10 61.197 62.922 -1.725 1
1 59 . 6 1 1 A 10 10 THR CB C 10 69.660 71.378 -1.718 1
1 61 . 6 1 1 A 10 10 THR N N 10 112.513 113.610 -1.097 1
1 62 . 6 1 1 A 11 11 GLU H H 11 7.813 7.919 -0.106 1
1 63 . 6 1 1 A 11 11 GLU HA H 11 5.549 5.074 0.475 1
1 68 . 6 1 1 A 11 11 GLU C C 11 173.062 174.064 -1.002 1
1 69 . 6 1 1 A 11 11 GLU CA C 11 53.855 55.530 -1.675 1
1 70 . 6 1 1 A 11 11 GLU CB C 11 33.820 32.785 1.035 1
1 72 . 6 1 1 A 11 11 GLU N N 11 119.491 116.371 3.120 1
1 73 . 6 1 1 A 12 12 PHE H H 12 8.198 8.840 -0.642 1
1 74 . 6 1 1 A 12 12 PHE HA H 12 5.014 5.868 -0.854 1
1 82 . 6 1 1 A 12 12 PHE C C 12 171.976 173.570 -1.594 1
1 83 . 6 1 1 A 12 12 PHE CA C 12 55.597 55.300 0.297 1
1 84 . 6 1 1 A 12 12 PHE CB C 12 42.384 42.100 0.284 1
1 90 . 6 1 1 A 12 12 PHE N N 12 111.146 117.189 -6.043 1
1 91 . 6 1 1 A 13 13 ILE H H 13 8.655 8.528 0.127 1
1 92 . 6 1 1 A 13 13 ILE HA H 13 4.165 4.405 -0.240 1
1 102 . 6 1 1 A 13 13 ILE C C 13 173.432 174.893 -1.461 1
1 103 . 6 1 1 A 13 13 ILE CA C 13 62.270 61.937 0.333 1
1 104 . 6 1 1 A 13 13 ILE CB C 13 39.957 36.824 3.133 1
1 108 . 6 1 1 A 13 13 ILE N N 13 121.427 124.635 -3.208 1
1 109 . 6 1 1 A 14 14 SER H H 14 8.034 9.018 -0.984 1
1 110 . 6 1 1 A 14 14 SER HA H 14 5.588 5.141 0.447 1
1 113 . 6 1 1 A 14 14 SER C C 14 173.429 173.565 -0.136 1
1 114 . 6 1 1 A 14 14 SER CA C 14 56.650 56.528 0.122 1
1 115 . 6 1 1 A 14 14 SER CB C 14 70.177 64.947 5.230 1
1 116 . 6 1 1 A 14 14 SER N N 14 121.358 123.405 -2.047 1
1 117 . 6 1 1 A 15 15 ARG H H 15 9.545 8.843 0.702 1
1 118 . 6 1 1 A 15 15 ARG HA H 15 5.826 4.791 1.035 1
1 126 . 6 1 1 A 15 15 ARG C C 15 176.042 175.553 0.489 1
1 127 . 6 1 1 A 15 15 ARG CA C 15 55.105 55.529 -0.424 1
1 128 . 6 1 1 A 15 15 ARG CB C 15 35.587 32.486 3.101 1
1 131 . 6 1 1 A 15 15 ARG N N 15 118.317 127.239 -8.922 1
1 133 . 6 1 1 A 16 16 HIS H H 16 8.730 8.241 0.489 1
1 134 . 6 1 1 A 16 16 HIS HA H 16 5.555 5.492 0.063 1
1 141 . 6 1 1 A 16 16 HIS C C 16 174.062 173.067 0.995 1
1 142 . 6 1 1 A 16 16 HIS CA C 16 54.057 54.486 -0.429 1
1 143 . 6 1 1 A 16 16 HIS CB C 16 31.334 31.243 0.091 1
1 146 . 6 1 1 A 16 16 HIS N N 16 117.425 116.799 0.626 1
1 148 . 6 1 1 A 17 17 ASN H H 17 8.201 8.764 -0.563 1
1 149 . 6 1 1 A 17 17 ASN HA H 17 4.897 5.026 -0.129 1
1 154 . 6 1 1 A 17 17 ASN C C 17 178.263 175.651 2.612 1
1 155 . 6 1 1 A 17 17 ASN CA C 17 51.104 51.686 -0.582 1
1 156 . 6 1 1 A 17 17 ASN CB C 17 38.469 39.026 -0.557 1
1 157 . 6 1 1 A 17 17 ASN N N 17 116.276 117.924 -1.648 1
1 159 . 6 1 1 A 18 18 ILE H H 18 8.774 8.784 -0.010 1
1 160 . 6 1 1 A 18 18 ILE HA H 18 3.795 3.909 -0.114 1
1 170 . 6 1 1 A 18 18 ILE C C 18 174.851 177.738 -2.887 1
1 171 . 6 1 1 A 18 18 ILE CA C 18 64.399 64.140 0.259 1
1 172 . 6 1 1 A 18 18 ILE CB C 18 38.072 37.854 0.218 1
1 176 . 6 1 1 A 18 18 ILE N N 18 120.001 120.212 -0.211 1
1 177 . 6 1 1 A 19 19 GLU H H 19 7.213 7.824 -0.611 1
1 178 . 6 1 1 A 19 19 GLU HA H 19 4.225 4.114 0.111 1
1 183 . 6 1 1 A 19 19 GLU CA C 19 57.145 56.812 0.333 1
1 184 . 6 1 1 A 19 19 GLU CB C 19 29.878 29.833 0.045 1
1 186 . 6 1 1 A 19 19 GLU N N 19 116.538 120.022 -3.484 1
1 187 . 6 1 1 A 20 20 GLY H H 20 7.845 7.815 0.030 1
1 188 . 6 1 1 A 20 20 GLY HA2 H 20 4.878 2.783 2.095 1
1 189 . 6 1 1 A 20 20 GLY HA3 H 20 2.886 3.621 -0.735 1
1 190 . 6 1 1 A 20 20 GLY C C 20 172.992 174.063 -1.071 1
1 191 . 6 1 1 A 20 20 GLY CA C 20 44.049 44.284 -0.235 1
1 192 . 6 1 1 A 20 20 GLY N N 20 104.883 105.753 -0.870 1
1 193 . 6 1 1 A 21 21 ILE H H 21 7.841 7.623 0.218 1
1 194 . 6 1 1 A 21 21 ILE HA H 21 3.995 4.317 -0.322 1
1 204 . 6 1 1 A 21 21 ILE C C 21 176.915 175.454 1.461 1
1 205 . 6 1 1 A 21 21 ILE CA C 21 60.302 61.670 -1.368 1
1 206 . 6 1 1 A 21 21 ILE CB C 21 36.111 37.984 -1.873 1
1 210 . 6 1 1 A 21 21 ILE N N 21 120.855 122.750 -1.895 1
1 211 . 6 1 1 A 22 22 PHE H H 22 8.896 8.847 0.049 1
1 212 . 6 1 1 A 22 22 PHE HA H 22 5.052 5.076 -0.024 1
1 220 . 6 1 1 A 22 22 PHE C C 22 177.971 176.242 1.729 1
1 221 . 6 1 1 A 22 22 PHE CA C 22 59.625 58.894 0.731 1
1 222 . 6 1 1 A 22 22 PHE CB C 22 39.984 38.901 1.083 1
1 228 . 6 1 1 A 22 22 PHE N N 22 125.849 128.561 -2.712 1
1 229 . 6 1 1 A 23 23 THR H H 23 9.771 8.763 1.008 1
1 230 . 6 1 1 A 23 23 THR HA H 23 4.403 4.475 -0.072 1
1 235 . 6 1 1 A 23 23 THR C C 23 175.589 174.483 1.106 1
1 236 . 6 1 1 A 23 23 THR CA C 23 61.611 62.398 -0.787 1
1 237 . 6 1 1 A 23 23 THR CB C 23 69.193 69.169 0.024 1
1 239 . 6 1 1 A 23 23 THR N N 23 117.677 115.552 2.125 1
1 240 . 6 1 1 A 24 24 PHE H H 24 7.948 7.407 0.541 1
1 241 . 6 1 1 A 24 24 PHE HA H 24 4.483 4.769 -0.286 1
1 249 . 6 1 1 A 24 24 PHE C C 24 173.376 173.297 0.079 1
1 250 . 6 1 1 A 24 24 PHE CA C 24 59.142 58.266 0.876 1
1 251 . 6 1 1 A 24 24 PHE CB C 24 42.161 42.386 -0.225 1
1 257 . 6 1 1 A 24 24 PHE N N 24 123.378 121.190 2.188 1
1 258 . 6 1 1 A 25 25 VAL H H 25 7.340 7.359 -0.019 1
1 259 . 6 1 1 A 25 25 VAL HA H 25 4.166 4.317 -0.151 1
1 267 . 6 1 1 A 25 25 VAL C C 25 173.103 173.510 -0.407 1
1 268 . 6 1 1 A 25 25 VAL CA C 25 61.539 60.393 1.146 1
1 269 . 6 1 1 A 25 25 VAL CB C 25 35.683 35.073 0.610 1
1 272 . 6 1 1 A 25 25 VAL N N 25 124.777 123.582 1.195 1
1 273 . 6 1 1 A 26 26 ASP H H 26 7.942 8.421 -0.479 1
1 274 . 6 1 1 A 26 26 ASP HA H 26 4.466 4.481 -0.015 1
1 277 . 6 1 1 A 26 26 ASP C C 26 175.258 177.253 -1.995 1
1 278 . 6 1 1 A 26 26 ASP CA C 26 53.318 54.382 -1.064 1
1 279 . 6 1 1 A 26 26 ASP CB C 26 42.461 42.342 0.119 1
1 280 . 6 1 1 A 26 26 ASP N N 26 125.573 126.511 -0.938 1
1 281 . 6 1 1 A 27 27 HIS H H 27 8.115 8.897 -0.782 1
1 282 . 6 1 1 A 27 27 HIS HA H 27 4.222 4.112 0.110 1
1 286 . 6 1 1 A 27 27 HIS C C 27 177.268 176.485 0.783 1
1 287 . 6 1 1 A 27 27 HIS CA C 27 59.164 58.625 0.539 1
1 288 . 6 1 1 A 27 27 HIS CB C 27 30.374 29.257 1.117 1
1 290 . 6 1 1 A 27 27 HIS N N 27 117.576 123.454 -5.878 1
1 291 . 6 1 1 A 28 28 ARG H H 28 8.724 7.903 0.821 1
1 292 . 6 1 1 A 28 28 ARG HA H 28 4.210 3.682 0.528 1
1 300 . 6 1 1 A 28 28 ARG C C 28 177.838 179.187 -1.349 1
1 301 . 6 1 1 A 28 28 ARG CA C 28 58.199 59.184 -0.985 1
1 302 . 6 1 1 A 28 28 ARG CB C 28 29.815 29.439 0.376 1
1 305 . 6 1 1 A 28 28 ARG N N 28 122.414 120.528 1.886 1
1 307 . 6 1 1 A 29 29 CYS H H 29 8.102 8.174 -0.072 1
1 308 . 6 1 1 A 29 29 CYS HA H 29 3.124 3.113 0.011 1
1 311 . 6 1 1 A 29 29 CYS C C 29 175.551 177.031 -1.480 1
1 312 . 6 1 1 A 29 29 CYS CA C 29 59.988 60.931 -0.943 1
1 313 . 6 1 1 A 29 29 CYS CB C 29 25.101 26.122 -1.021 1
1 314 . 6 1 1 A 29 29 CYS N N 29 119.987 117.508 2.479 1
1 315 . 6 1 1 A 30 30 VAL H H 30 7.139 7.148 -0.009 1
1 316 . 6 1 1 A 30 30 VAL HA H 30 3.373 3.644 -0.271 1
1 324 . 6 1 1 A 30 30 VAL C C 30 178.225 177.971 0.254 1
1 325 . 6 1 1 A 30 30 VAL CA C 30 65.903 64.546 1.357 1
1 326 . 6 1 1 A 30 30 VAL CB C 30 31.446 31.530 -0.084 1
1 329 . 6 1 1 A 30 30 VAL N N 30 125.016 119.797 5.219 1
1 330 . 6 1 1 A 31 31 ALA H H 31 7.393 7.753 -0.360 1
1 331 . 6 1 1 A 31 31 ALA HA H 31 4.126 4.109 0.017 1
1 335 . 6 1 1 A 31 31 ALA C C 31 178.111 179.726 -1.615 1
1 336 . 6 1 1 A 31 31 ALA CA C 31 53.715 54.381 -0.666 1
1 337 . 6 1 1 A 31 31 ALA CB C 31 19.223 18.427 0.796 1
1 338 . 6 1 1 A 31 31 ALA N N 31 120.554 124.123 -3.569 1
1 339 . 6 1 1 A 32 32 THR H H 32 7.253 7.773 -0.520 1
1 340 . 6 1 1 A 32 32 THR HA H 32 4.116 4.070 0.046 1
1 345 . 6 1 1 A 32 32 THR C C 32 175.655 175.993 -0.338 1
1 346 . 6 1 1 A 32 32 THR CA C 32 64.727 65.284 -0.557 1
1 347 . 6 1 1 A 32 32 THR CB C 32 69.144 69.372 -0.228 1
1 349 . 6 1 1 A 32 32 THR N N 32 109.150 113.575 -4.425 1
1 350 . 6 1 1 A 33 33 VAL H H 33 7.939 7.705 0.234 1
1 351 . 6 1 1 A 33 33 VAL HA H 33 4.504 4.651 -0.147 1
1 359 . 6 1 1 A 33 33 VAL C C 33 175.594 176.272 -0.678 1
1 360 . 6 1 1 A 33 33 VAL CA C 33 60.596 60.465 0.131 1
1 361 . 6 1 1 A 33 33 VAL CB C 33 34.900 31.405 3.495 1
1 364 . 6 1 1 A 33 33 VAL N N 33 108.519 113.179 -4.660 1
1 365 . 6 1 1 A 34 34 GLY H H 34 7.439 7.792 -0.353 1
1 366 . 6 1 1 A 34 34 GLY HA2 H 34 4.099 3.691 0.408 1
1 367 . 6 1 1 A 34 34 GLY HA3 H 34 3.846 3.791 0.055 1
1 368 . 6 1 1 A 34 34 GLY C C 34 173.655 173.575 0.080 1
1 369 . 6 1 1 A 34 34 GLY CA C 34 46.538 45.415 1.123 1
1 370 . 6 1 1 A 34 34 GLY N N 34 109.672 110.217 -0.545 1
1 371 . 6 1 1 A 35 35 TYR H H 35 6.215 7.612 -1.397 1
1 372 . 6 1 1 A 35 35 TYR HA H 35 4.415 4.903 -0.488 1
1 379 . 6 1 1 A 35 35 TYR C C 35 174.492 175.311 -0.819 1
1 380 . 6 1 1 A 35 35 TYR CA C 35 57.289 58.889 -1.600 1
1 381 . 6 1 1 A 35 35 TYR CB C 35 40.784 38.023 2.761 1
1 386 . 6 1 1 A 35 35 TYR N N 35 117.067 119.982 -2.915 1
1 387 . 6 1 1 A 36 36 GLN H H 36 9.145 8.498 0.647 1
1 388 . 6 1 1 A 36 36 GLN HA H 36 4.285 4.237 0.048 1
1 393 . 6 1 1 A 36 36 GLN CA C 36 53.760 54.636 -0.876 1
1 394 . 6 1 1 A 36 36 GLN CB C 36 27.558 28.481 -0.923 1
1 396 . 6 1 1 A 36 36 GLN N N 36 117.664 124.174 -6.510 1
1 397 . 6 1 1 A 37 37 PRO HA H 37 3.755 4.044 -0.289 1
1 404 . 6 1 1 A 37 37 PRO C C 37 178.629 178.176 0.453 1
1 405 . 6 1 1 A 37 37 PRO CA C 37 66.415 65.723 0.692 1
1 406 . 6 1 1 A 37 37 PRO CB C 37 31.313 31.689 -0.376 1
1 409 . 6 1 1 A 38 38 GLN H H 38 8.870 8.778 0.092 1
1 410 . 6 1 1 A 38 38 GLN HA H 38 3.996 4.058 -0.062 1
1 415 . 6 1 1 A 38 38 GLN C C 38 177.121 177.844 -0.723 1
1 416 . 6 1 1 A 38 38 GLN CA C 38 58.468 58.877 -0.409 1
1 417 . 6 1 1 A 38 38 GLN CB C 38 27.259 27.588 -0.329 1
1 419 . 6 1 1 A 38 38 GLN N N 38 113.031 115.354 -2.323 1
1 420 . 6 1 1 A 39 39 GLU H H 39 7.799 8.017 -0.218 1
1 421 . 6 1 1 A 39 39 GLU HA H 39 4.203 4.163 0.040 1
1 426 . 6 1 1 A 39 39 GLU C C 39 175.485 177.167 -1.682 1
1 427 . 6 1 1 A 39 39 GLU CA C 39 57.598 58.545 -0.947 1
1 428 . 6 1 1 A 39 39 GLU CB C 39 30.955 29.595 1.360 1
1 430 . 6 1 1 A 39 39 GLU N N 39 117.366 119.393 -2.027 1
1 431 . 6 1 1 A 40 40 LEU H H 40 7.001 7.281 -0.280 1
1 432 . 6 1 1 A 40 40 LEU HA H 40 4.205 4.486 -0.281 1
1 442 . 6 1 1 A 40 40 LEU C C 40 176.417 177.442 -1.025 1
1 443 . 6 1 1 A 40 40 LEU CA C 40 55.345 55.802 -0.457 1
1 444 . 6 1 1 A 40 40 LEU CB C 40 43.190 43.525 -0.335 1
1 448 . 6 1 1 A 40 40 LEU N N 40 116.615 117.865 -1.250 1
1 449 . 6 1 1 A 41 41 LEU H H 41 7.521 7.975 -0.454 1
1 450 . 6 1 1 A 41 41 LEU HA H 41 3.678 4.367 -0.689 1
1 460 . 6 1 1 A 41 41 LEU C C 41 177.754 177.952 -0.198 1
1 461 . 6 1 1 A 41 41 LEU CA C 41 57.050 57.248 -0.198 1
1 462 . 6 1 1 A 41 41 LEU CB C 41 42.155 41.706 0.449 1
1 466 . 6 1 1 A 41 41 LEU N N 41 117.814 121.146 -3.332 1
1 467 . 6 1 1 A 42 42 GLY H H 42 8.535 9.289 -0.754 1
1 468 . 6 1 1 A 42 42 GLY HA2 H 42 4.328 4.032 0.296 1
1 469 . 6 1 1 A 42 42 GLY HA3 H 42 3.601 4.032 -0.431 1
1 470 . 6 1 1 A 42 42 GLY C C 42 173.808 173.677 0.131 1
1 471 . 6 1 1 A 42 42 GLY CA C 42 45.689 45.342 0.347 1
1 472 . 6 1 1 A 42 42 GLY N N 42 110.496 111.776 -1.280 1
1 473 . 6 1 1 A 43 43 LYS H H 43 8.398 8.107 0.291 1
1 474 . 6 1 1 A 43 43 LYS HA H 43 4.680 4.641 0.039 1
1 483 . 6 1 1 A 43 43 LYS C C 43 173.943 175.326 -1.383 1
1 484 . 6 1 1 A 43 43 LYS CA C 43 54.361 54.415 -0.054 1
1 485 . 6 1 1 A 43 43 LYS CB C 43 33.960 34.414 -0.454 1
1 489 . 6 1 1 A 43 43 LYS N N 43 120.461 120.416 0.045 1
1 490 . 6 1 1 A 44 44 ASN H H 44 8.892 8.707 0.185 1
1 491 . 6 1 1 A 44 44 ASN HA H 44 4.690 4.699 -0.009 1
1 496 . 6 1 1 A 44 44 ASN C C 44 176.922 175.572 1.350 1
1 497 . 6 1 1 A 44 44 ASN CA C 44 52.256 52.690 -0.434 1
1 498 . 6 1 1 A 44 44 ASN CB C 44 40.451 39.115 1.336 1
1 499 . 6 1 1 A 44 44 ASN N N 44 119.869 120.299 -0.430 1
1 501 . 6 1 1 A 45 45 ILE H H 45 8.543 8.206 0.337 1
1 502 . 6 1 1 A 45 45 ILE HA H 45 3.887 3.666 0.221 1
1 511 . 6 1 1 A 45 45 ILE C C 45 176.137 177.040 -0.903 1
1 512 . 6 1 1 A 45 45 ILE CA C 45 65.116 64.136 0.980 1
1 513 . 6 1 1 A 45 45 ILE CB C 45 36.637 37.598 -0.961 1
1 517 . 6 1 1 A 45 45 ILE N N 45 129.131 127.148 1.983 1
1 518 . 6 1 1 A 46 46 VAL H H 46 9.059 7.327 1.732 1
1 519 . 6 1 1 A 46 46 VAL HA H 46 3.439 3.754 -0.315 1
1 527 . 6 1 1 A 46 46 VAL C C 46 178.407 178.155 0.252 1
1 528 . 6 1 1 A 46 46 VAL CA C 46 65.705 65.389 0.316 1
1 529 . 6 1 1 A 46 46 VAL CB C 46 31.022 31.190 -0.168 1
1 532 . 6 1 1 A 46 46 VAL N N 46 118.981 117.494 1.487 1
1 533 . 6 1 1 A 47 47 GLU H H 47 7.923 8.328 -0.405 1
1 534 . 6 1 1 A 47 47 GLU HA H 47 3.989 3.920 0.069 1
1 539 . 6 1 1 A 47 47 GLU C C 47 177.664 178.484 -0.820 1
1 540 . 6 1 1 A 47 47 GLU CA C 47 57.999 59.060 -1.061 1
1 541 . 6 1 1 A 47 47 GLU CB C 47 28.849 29.031 -0.182 1
1 543 . 6 1 1 A 47 47 GLU N N 47 117.733 121.463 -3.730 1
1 544 . 6 1 1 A 48 48 PHE H H 48 7.689 7.431 0.258 1
1 545 . 6 1 1 A 48 48 PHE HA H 48 4.177 4.216 -0.039 1
1 553 . 6 1 1 A 48 48 PHE C C 48 172.739 175.769 -3.030 1
1 554 . 6 1 1 A 48 48 PHE CA C 48 57.725 59.647 -1.922 1
1 555 . 6 1 1 A 48 48 PHE CB C 48 39.428 39.427 0.001 1
1 561 . 6 1 1 A 48 48 PHE N N 48 117.768 115.264 2.504 1
1 562 . 6 1 1 A 49 49 CYS H H 49 7.413 7.364 0.049 1
1 563 . 6 1 1 A 49 49 CYS HA H 49 5.671 5.021 0.650 1
1 566 . 6 1 1 A 49 49 CYS CA C 49 56.429 59.989 -3.560 1
1 567 . 6 1 1 A 49 49 CYS CB C 49 28.747 28.181 0.566 1
1 568 . 6 1 1 A 49 49 CYS N N 49 119.705 118.398 1.307 1
1 569 . 6 1 1 A 50 50 HIS H H 50 8.640 8.567 0.073 1
1 570 . 6 1 1 A 50 50 HIS HA H 50 3.655 4.043 -0.388 1
1 574 . 6 1 1 A 50 50 HIS CA C 50 56.934 54.818 2.116 1
1 575 . 6 1 1 A 50 50 HIS CB C 50 32.071 30.251 1.820 1
1 577 . 6 1 1 A 50 50 HIS N N 50 134.180 124.480 9.700 1
1 578 . 6 1 1 A 51 51 PRO HA H 51 4.044 4.147 -0.103 1
1 584 . 6 1 1 A 51 51 PRO C C 51 179.121 178.910 0.211 1
1 585 . 6 1 1 A 51 51 PRO CA C 51 65.989 66.066 -0.077 1
1 586 . 6 1 1 A 51 51 PRO CB C 51 32.605 31.534 1.071 1
1 589 . 6 1 1 A 52 52 GLU H H 52 10.986 8.578 2.408 1
1 590 . 6 1 1 A 52 52 GLU HA H 52 4.125 4.123 0.002 1
1 595 . 6 1 1 A 52 52 GLU C C 52 177.643 177.233 0.410 1
1 596 . 6 1 1 A 52 52 GLU CA C 52 58.522 58.977 -0.455 1
1 597 . 6 1 1 A 52 52 GLU CB C 52 29.347 28.917 0.430 1
1 599 . 6 1 1 A 52 52 GLU N N 52 119.351 117.761 1.590 1
1 600 . 6 1 1 A 53 53 ASP H H 53 8.203 8.144 0.059 1
1 601 . 6 1 1 A 53 53 ASP HA H 53 4.898 4.660 0.238 1
1 604 . 6 1 1 A 53 53 ASP C C 53 175.641 177.247 -1.606 1
1 605 . 6 1 1 A 53 53 ASP CA C 53 54.092 54.708 -0.616 1
1 606 . 6 1 1 A 53 53 ASP CB C 53 43.596 41.703 1.893 1
1 607 . 6 1 1 A 53 53 ASP N N 53 117.757 117.866 -0.109 1
1 608 . 6 1 1 A 54 54 GLN H H 54 6.922 7.988 -1.066 1
1 609 . 6 1 1 A 54 54 GLN HA H 54 3.985 3.958 0.027 1
1 616 . 6 1 1 A 54 54 GLN C C 54 177.417 178.520 -1.103 1
1 617 . 6 1 1 A 54 54 GLN CA C 54 60.084 58.899 1.185 1
1 618 . 6 1 1 A 54 54 GLN CB C 54 28.448 28.131 0.317 1
1 620 . 6 1 1 A 54 54 GLN N N 54 118.680 119.619 -0.939 1
1 622 . 6 1 1 A 55 55 GLN H H 55 8.663 7.902 0.761 1
1 623 . 6 1 1 A 55 55 GLN HA H 55 3.778 3.964 -0.186 1
1 630 . 6 1 1 A 55 55 GLN C C 55 177.398 178.065 -0.667 1
1 631 . 6 1 1 A 55 55 GLN CA C 55 58.812 58.685 0.127 1
1 632 . 6 1 1 A 55 55 GLN CB C 55 27.402 28.043 -0.641 1
1 634 . 6 1 1 A 55 55 GLN N N 55 119.173 119.645 -0.472 1
1 636 . 6 1 1 A 56 56 LEU H H 56 7.935 7.541 0.394 1
1 637 . 6 1 1 A 56 56 LEU HA H 56 4.071 4.012 0.059 1
1 647 . 6 1 1 A 56 56 LEU C C 56 180.037 177.937 2.100 1
1 648 . 6 1 1 A 56 56 LEU CA C 56 57.698 57.885 -0.187 1
1 649 . 6 1 1 A 56 56 LEU CB C 56 41.586 41.524 0.062 1
1 653 . 6 1 1 A 56 56 LEU N N 56 119.661 121.100 -1.439 1
1 654 . 6 1 1 A 57 57 LEU H H 57 7.382 8.047 -0.665 1
1 655 . 6 1 1 A 57 57 LEU HA H 57 3.575 3.623 -0.048 1
1 665 . 6 1 1 A 57 57 LEU C C 57 178.470 178.105 0.365 1
1 666 . 6 1 1 A 57 57 LEU CA C 57 57.703 58.148 -0.445 1
1 667 . 6 1 1 A 57 57 LEU CB C 57 42.077 41.397 0.680 1
1 671 . 6 1 1 A 57 57 LEU N N 57 119.857 119.816 0.041 1
1 672 . 6 1 1 A 58 58 ARG H H 58 8.118 8.534 -0.416 1
1 673 . 6 1 1 A 58 58 ARG HA H 58 3.338 3.877 -0.539 1
1 680 . 6 1 1 A 58 58 ARG C C 58 179.713 178.755 0.958 1
1 681 . 6 1 1 A 58 58 ARG CA C 58 60.120 59.480 0.640 1
1 682 . 6 1 1 A 58 58 ARG CB C 58 30.320 29.791 0.529 1
1 685 . 6 1 1 A 58 58 ARG N N 58 118.198 117.844 0.354 1
1 686 . 6 1 1 A 59 59 ASP H H 59 8.748 8.307 0.441 1
1 687 . 6 1 1 A 59 59 ASP HA H 59 4.336 4.268 0.068 1
1 690 . 6 1 1 A 59 59 ASP C C 59 179.130 178.103 1.027 1
1 691 . 6 1 1 A 59 59 ASP CA C 59 57.197 57.606 -0.409 1
1 692 . 6 1 1 A 59 59 ASP CB C 59 40.212 41.925 -1.713 1
1 693 . 6 1 1 A 59 59 ASP N N 59 119.165 119.853 -0.688 1
1 694 . 6 1 1 A 60 60 SER H H 60 7.552 8.025 -0.473 1
1 695 . 6 1 1 A 60 60 SER HA H 60 4.116 4.159 -0.043 1
1 698 . 6 1 1 A 60 60 SER C C 60 175.883 177.310 -1.427 1
1 699 . 6 1 1 A 60 60 SER CA C 60 61.975 61.141 0.834 1
1 700 . 6 1 1 A 60 60 SER CB C 60 63.098 61.870 1.228 1
1 701 . 6 1 1 A 60 60 SER N N 60 117.761 115.298 2.463 1
1 702 . 6 1 1 A 61 61 PHE H H 61 7.063 7.377 -0.314 1
1 703 . 6 1 1 A 61 61 PHE HA H 61 4.614 4.364 0.250 1
1 711 . 6 1 1 A 61 61 PHE C C 61 177.561 178.400 -0.839 1
1 712 . 6 1 1 A 61 61 PHE CA C 61 56.777 61.881 -5.104 1
1 713 . 6 1 1 A 61 61 PHE CB C 61 36.564 38.313 -1.749 1
1 719 . 6 1 1 A 61 61 PHE N N 61 122.009 118.986 3.023 1
1 720 . 6 1 1 A 62 62 GLN H H 62 7.376 8.324 -0.948 1
1 721 . 6 1 1 A 62 62 GLN HA H 62 4.038 4.013 0.025 1
1 726 . 6 1 1 A 62 62 GLN C C 62 179.093 178.978 0.115 1
1 727 . 6 1 1 A 62 62 GLN CA C 62 58.240 59.369 -1.129 1
1 728 . 6 1 1 A 62 62 GLN CB C 62 28.094 28.357 -0.263 1
1 730 . 6 1 1 A 62 62 GLN N N 62 114.929 118.529 -3.600 1
1 731 . 6 1 1 A 63 63 GLN H H 63 7.893 7.809 0.084 1
1 732 . 6 1 1 A 63 63 GLN HA H 63 4.083 4.210 -0.127 1
1 737 . 6 1 1 A 63 63 GLN C C 63 178.244 178.659 -0.415 1
1 738 . 6 1 1 A 63 63 GLN CA C 63 58.408 58.322 0.086 1
1 739 . 6 1 1 A 63 63 GLN CB C 63 28.755 28.558 0.197 1
1 741 . 6 1 1 A 63 63 GLN N N 63 117.434 120.501 -3.067 1
1 742 . 6 1 1 A 64 64 VAL H H 64 8.220 8.163 0.057 1
1 743 . 6 1 1 A 64 64 VAL HA H 64 3.663 4.129 -0.466 1
1 751 . 6 1 1 A 64 64 VAL C C 64 177.137 178.082 -0.945 1
1 752 . 6 1 1 A 64 64 VAL CA C 64 66.107 65.495 0.612 1
1 753 . 6 1 1 A 64 64 VAL CB C 64 31.475 31.634 -0.159 1
1 756 . 6 1 1 A 64 64 VAL N N 64 118.766 117.016 1.750 1
1 757 . 6 1 1 A 65 65 VAL H H 65 6.860 7.627 -0.767 1
1 758 . 6 1 1 A 65 65 VAL HA H 65 3.833 3.904 -0.071 1
1 766 . 6 1 1 A 65 65 VAL C C 65 177.624 177.967 -0.343 1
1 767 . 6 1 1 A 65 65 VAL CA C 65 64.200 64.769 -0.569 1
1 768 . 6 1 1 A 65 65 VAL CB C 65 31.730 31.804 -0.074 1
1 771 . 6 1 1 A 65 65 VAL N N 65 112.590 122.320 -9.730 1
1 772 . 6 1 1 A 66 66 LYS H H 66 7.431 7.873 -0.442 1
1 773 . 6 1 1 A 66 66 LYS HA H 66 4.184 3.983 0.201 1
1 782 . 6 1 1 A 66 66 LYS C C 66 177.374 178.232 -0.858 1
1 783 . 6 1 1 A 66 66 LYS CA C 66 58.190 59.718 -1.528 1
1 784 . 6 1 1 A 66 66 LYS CB C 66 33.232 32.287 0.945 1
1 788 . 6 1 1 A 66 66 LYS N N 66 119.643 121.916 -2.273 1
1 789 . 6 1 1 A 67 67 LEU H H 67 7.859 8.165 -0.306 1
1 790 . 6 1 1 A 67 67 LEU HA H 67 4.552 4.326 0.226 1
1 800 . 6 1 1 A 67 67 LEU C C 67 175.532 176.043 -0.511 1
1 801 . 6 1 1 A 67 67 LEU CA C 67 53.108 55.172 -2.064 1
1 802 . 6 1 1 A 67 67 LEU CB C 67 40.979 41.804 -0.825 1
1 806 . 6 1 1 A 67 67 LEU N N 67 121.288 117.899 3.389 1
1 807 . 6 1 1 A 68 68 LYS H H 68 7.475 8.174 -0.699 1
1 808 . 6 1 1 A 68 68 LYS HA H 68 4.156 4.227 -0.071 1
1 817 . 6 1 1 A 68 68 LYS C C 68 177.987 175.745 2.242 1
1 818 . 6 1 1 A 68 68 LYS CA C 68 58.388 57.287 1.101 1
1 819 . 6 1 1 A 68 68 LYS CB C 68 32.207 31.793 0.414 1
1 823 . 6 1 1 A 68 68 LYS N N 68 119.626 118.769 0.857 1
1 824 . 6 1 1 A 69 69 GLY H H 69 8.696 8.206 0.490 1
1 825 . 6 1 1 A 69 69 GLY HA2 H 69 4.294 4.040 0.254 1
1 826 . 6 1 1 A 69 69 GLY HA3 H 69 3.896 4.044 -0.148 1
1 827 . 6 1 1 A 69 69 GLY CA C 69 45.335 45.146 0.189 1
1 828 . 6 1 1 A 69 69 GLY N N 69 113.681 111.412 2.269 1
1 829 . 6 1 1 A 70 70 GLN H H 70 8.031 7.954 0.077 1
1 830 . 6 1 1 A 70 70 GLN HA H 70 4.508 4.268 0.240 1
1 835 . 6 1 1 A 70 70 GLN C C 70 174.684 175.055 -0.371 1
1 836 . 6 1 1 A 70 70 GLN CA C 70 55.347 56.506 -1.159 1
1 837 . 6 1 1 A 70 70 GLN CB C 70 30.111 29.406 0.705 1
1 839 . 6 1 1 A 70 70 GLN N N 70 119.949 121.930 -1.981 1
1 840 . 6 1 1 A 71 71 VAL H H 71 8.232 8.425 -0.193 1
1 841 . 6 1 1 A 71 71 VAL HA H 71 4.822 4.705 0.117 1
1 849 . 6 1 1 A 71 71 VAL C C 71 176.406 175.086 1.320 1
1 850 . 6 1 1 A 71 71 VAL CA C 71 61.198 62.273 -1.075 1
1 851 . 6 1 1 A 71 71 VAL CB C 71 32.964 32.838 0.126 1
1 854 . 6 1 1 A 71 71 VAL N N 71 121.816 126.800 -4.984 1
1 855 . 6 1 1 A 72 72 LEU H H 72 9.052 9.381 -0.329 1
1 856 . 6 1 1 A 72 72 LEU HA H 72 4.827 5.195 -0.368 1
1 865 . 6 1 1 A 72 72 LEU C C 72 175.411 175.734 -0.323 1
1 866 . 6 1 1 A 72 72 LEU CA C 72 52.895 53.191 -0.296 1
1 867 . 6 1 1 A 72 72 LEU CB C 72 44.755 45.211 -0.456 1
1 870 . 6 1 1 A 72 72 LEU N N 72 130.331 130.237 0.094 1
1 871 . 6 1 1 A 73 73 SER H H 73 8.057 9.026 -0.969 1
1 872 . 6 1 1 A 73 73 SER HA H 73 5.211 5.754 -0.543 1
1 875 . 6 1 1 A 73 73 SER C C 73 174.562 173.046 1.516 1
1 876 . 6 1 1 A 73 73 SER CA C 73 56.591 56.758 -0.167 1
1 877 . 6 1 1 A 73 73 SER CB C 73 66.336 64.968 1.368 1
1 878 . 6 1 1 A 73 73 SER N N 73 113.040 118.762 -5.722 1
1 879 . 6 1 1 A 74 74 VAL H H 74 8.799 8.689 0.110 1
1 880 . 6 1 1 A 74 74 VAL HA H 74 4.705 4.990 -0.285 1
1 888 . 6 1 1 A 74 74 VAL C C 74 174.122 173.993 0.129 1
1 889 . 6 1 1 A 74 74 VAL CA C 74 59.403 59.639 -0.236 1
1 890 . 6 1 1 A 74 74 VAL CB C 74 35.474 35.769 -0.295 1
1 893 . 6 1 1 A 74 74 VAL N N 74 122.721 122.179 0.542 1
1 894 . 6 1 1 A 75 75 MET H H 75 8.195 8.804 -0.609 1
1 895 . 6 1 1 A 75 75 MET HA H 75 5.922 6.085 -0.163 1
1 903 . 6 1 1 A 75 75 MET C C 75 175.531 175.631 -0.100 1
1 904 . 6 1 1 A 75 75 MET CA C 75 54.021 54.001 0.020 1
1 905 . 6 1 1 A 75 75 MET CB C 75 34.750 34.119 0.631 1
1 908 . 6 1 1 A 75 75 MET N N 75 120.057 123.705 -3.648 1
1 909 . 6 1 1 A 76 76 PHE H H 76 9.394 9.108 0.286 1
1 910 . 6 1 1 A 76 76 PHE HA H 76 5.004 5.130 -0.126 1
1 918 . 6 1 1 A 76 76 PHE C C 76 171.623 172.328 -0.705 1
1 919 . 6 1 1 A 76 76 PHE CA C 76 55.802 55.483 0.319 1
1 920 . 6 1 1 A 76 76 PHE CB C 76 42.072 41.954 0.118 1
1 926 . 6 1 1 A 76 76 PHE N N 76 120.244 120.174 0.070 1
1 927 . 6 1 1 A 77 77 ARG H H 77 8.783 8.189 0.594 1
1 928 . 6 1 1 A 77 77 ARG HA H 77 4.420 4.210 0.210 1
1 936 . 6 1 1 A 77 77 ARG C C 77 173.455 174.565 -1.110 1
1 937 . 6 1 1 A 77 77 ARG CA C 77 54.218 55.081 -0.863 1
1 938 . 6 1 1 A 77 77 ARG CB C 77 32.439 30.320 2.119 1
1 941 . 6 1 1 A 77 77 ARG N N 77 121.379 118.987 2.392 1
1 943 . 6 1 1 A 78 78 PHE H H 78 9.258 9.210 0.048 1
1 944 . 6 1 1 A 78 78 PHE HA H 78 5.438 5.167 0.271 1
1 952 . 6 1 1 A 78 78 PHE C C 78 175.873 174.510 1.363 1
1 953 . 6 1 1 A 78 78 PHE CA C 78 55.173 56.818 -1.645 1
1 954 . 6 1 1 A 78 78 PHE CB C 78 44.530 39.759 4.771 1
1 960 . 6 1 1 A 78 78 PHE N N 78 128.097 126.425 1.672 1
1 961 . 6 1 1 A 79 79 ARG H H 79 9.242 8.950 0.292 1
1 962 . 6 1 1 A 79 79 ARG HA H 79 4.201 4.610 -0.409 1
1 969 . 6 1 1 A 79 79 ARG C C 79 175.316 176.501 -1.185 1
1 970 . 6 1 1 A 79 79 ARG CA C 79 55.255 56.524 -1.269 1
1 971 . 6 1 1 A 79 79 ARG CB C 79 29.358 30.394 -1.036 1
1 974 . 6 1 1 A 79 79 ARG N N 79 129.898 130.457 -0.559 1
1 975 . 6 1 1 A 80 80 SER H H 80 9.253 8.784 0.469 1
1 976 . 6 1 1 A 80 80 SER HA H 80 4.772 5.111 -0.339 1
1 979 . 6 1 1 A 80 80 SER C C 80 174.983 175.817 -0.834 1
1 980 . 6 1 1 A 80 80 SER CA C 80 58.191 58.274 -0.083 1
1 981 . 6 1 1 A 80 80 SER CB C 80 64.930 64.578 0.352 1
1 982 . 6 1 1 A 80 80 SER N N 80 128.002 123.817 4.185 1
1 983 . 6 1 1 A 81 81 LYS H H 81 8.065 8.871 -0.806 1
1 984 . 6 1 1 A 81 81 LYS HA H 81 3.675 3.546 0.129 1
1 993 . 6 1 1 A 81 81 LYS C C 81 177.417 177.859 -0.442 1
1 994 . 6 1 1 A 81 81 LYS CA C 81 59.236 58.931 0.305 1
1 995 . 6 1 1 A 81 81 LYS CB C 81 31.641 31.894 -0.253 1
1 999 . 6 1 1 A 81 81 LYS N N 81 123.505 123.716 -0.211 1
1 1000 . 6 1 1 A 82 82 ASN H H 82 7.934 7.795 0.139 1
1 1001 . 6 1 1 A 82 82 ASN HA H 82 4.679 4.754 -0.075 1
1 1006 . 6 1 1 A 82 82 ASN C C 82 173.949 174.305 -0.356 1
1 1007 . 6 1 1 A 82 82 ASN CA C 82 52.764 52.811 -0.047 1
1 1008 . 6 1 1 A 82 82 ASN CB C 82 37.428 38.490 -1.062 1
1 1009 . 6 1 1 A 82 82 ASN N N 82 115.202 114.301 0.901 1
1 1011 . 6 1 1 A 83 83 GLN H H 83 8.099 8.200 -0.101 1
1 1012 . 6 1 1 A 83 83 GLN HA H 83 3.382 3.765 -0.383 1
1 1019 . 6 1 1 A 83 83 GLN C C 83 174.208 173.995 0.213 1
1 1020 . 6 1 1 A 83 83 GLN CA C 83 56.400 56.827 -0.427 1
1 1021 . 6 1 1 A 83 83 GLN CB C 83 25.003 26.134 -1.131 1
1 1023 . 6 1 1 A 83 83 GLN N N 83 112.357 115.755 -3.398 1
1 1025 . 6 1 1 A 84 84 GLU H H 84 7.385 7.589 -0.204 1
1 1026 . 6 1 1 A 84 84 GLU HA H 84 4.322 4.691 -0.369 1
1 1031 . 6 1 1 A 84 84 GLU CA C 84 54.720 54.713 0.007 1
1 1032 . 6 1 1 A 84 84 GLU CB C 84 31.713 32.665 -0.952 1
1 1034 . 6 1 1 A 84 84 GLU N N 84 117.557 116.826 0.731 1
1 1035 . 6 1 1 A 85 85 TRP H H 85 8.645 8.705 -0.060 1
1 1036 . 6 1 1 A 85 85 TRP HA H 85 5.145 4.792 0.353 1
1 1045 . 6 1 1 A 85 85 TRP C C 85 175.772 175.737 0.035 1
1 1046 . 6 1 1 A 85 85 TRP CA C 85 55.591 57.223 -1.632 1
1 1047 . 6 1 1 A 85 85 TRP CB C 85 30.113 28.171 1.942 1
1 1053 . 6 1 1 A 85 85 TRP N N 85 121.388 123.256 -1.868 1
1 1055 . 6 1 1 A 86 86 LEU H H 86 9.348 8.864 0.484 1
1 1056 . 6 1 1 A 86 86 LEU HA H 86 4.847 5.184 -0.337 1
1 1066 . 6 1 1 A 86 86 LEU C C 86 176.991 176.308 0.683 1
1 1067 . 6 1 1 A 86 86 LEU CA C 86 53.102 54.016 -0.914 1
1 1068 . 6 1 1 A 86 86 LEU CB C 86 44.527 41.619 2.908 1
1 1071 . 6 1 1 A 86 86 LEU N N 86 126.537 126.019 0.518 1
1 1072 . 6 1 1 A 87 87 TRP H H 87 8.870 8.732 0.138 1
1 1073 . 6 1 1 A 87 87 TRP HA H 87 4.465 4.993 -0.528 1
1 1082 . 6 1 1 A 87 87 TRP C C 87 175.731 176.932 -1.201 1
1 1083 . 6 1 1 A 87 87 TRP CA C 87 59.207 58.576 0.631 1
1 1084 . 6 1 1 A 87 87 TRP CB C 87 29.736 30.314 -0.578 1
1 1090 . 6 1 1 A 87 87 TRP N N 87 123.902 126.790 -2.888 1
1 1092 . 6 1 1 A 88 88 MET H H 88 9.432 9.109 0.323 1
1 1093 . 6 1 1 A 88 88 MET HA H 88 5.267 5.514 -0.247 1
1 1101 . 6 1 1 A 88 88 MET C C 88 174.713 174.178 0.535 1
1 1102 . 6 1 1 A 88 88 MET CA C 88 52.557 54.304 -1.747 1
1 1103 . 6 1 1 A 88 88 MET CB C 88 36.139 37.390 -1.251 1
1 1106 . 6 1 1 A 88 88 MET N N 88 123.412 121.398 2.014 1
1 1107 . 6 1 1 A 89 89 ARG H H 89 9.282 8.940 0.342 1
1 1108 . 6 1 1 A 89 89 ARG HA H 89 5.702 5.180 0.522 1
1 1115 . 6 1 1 A 89 89 ARG C C 89 177.137 175.716 1.421 1
1 1116 . 6 1 1 A 89 89 ARG CA C 89 54.266 54.714 -0.448 1
1 1117 . 6 1 1 A 89 89 ARG CB C 89 34.404 32.217 2.187 1
1 1120 . 6 1 1 A 89 89 ARG N N 89 119.570 121.049 -1.479 1
1 1121 . 6 1 1 A 90 90 THR H H 90 9.298 9.123 0.175 1
1 1122 . 6 1 1 A 90 90 THR HA H 90 5.625 5.297 0.328 1
1 1127 . 6 1 1 A 90 90 THR C C 90 176.787 174.439 2.348 1
1 1128 . 6 1 1 A 90 90 THR CA C 90 60.327 60.487 -0.160 1
1 1129 . 6 1 1 A 90 90 THR CB C 90 72.187 70.383 1.804 1
1 1131 . 6 1 1 A 90 90 THR N N 90 115.133 117.635 -2.502 1
1 1132 . 6 1 1 A 91 91 SER H H 91 8.194 8.792 -0.598 1
1 1133 . 6 1 1 A 91 91 SER HA H 91 4.860 5.175 -0.315 1
1 1136 . 6 1 1 A 91 91 SER C C 91 175.171 173.311 1.860 1
1 1137 . 6 1 1 A 91 91 SER CA C 91 59.224 57.250 1.974 1
1 1138 . 6 1 1 A 91 91 SER CB C 91 64.094 63.473 0.621 1
1 1139 . 6 1 1 A 91 91 SER N N 91 114.043 121.244 -7.201 1
1 1140 . 6 1 1 A 92 92 SER H H 92 9.864 8.074 1.790 1
1 1141 . 6 1 1 A 92 92 SER HA H 92 6.204 5.057 1.147 1
1 1144 . 6 1 1 A 92 92 SER C C 92 171.748 174.070 -2.322 1
1 1145 . 6 1 1 A 92 92 SER CA C 92 58.818 59.627 -0.809 1
1 1146 . 6 1 1 A 92 92 SER CB C 92 66.419 64.152 2.267 1
1 1147 . 6 1 1 A 92 92 SER N N 92 125.442 121.621 3.821 1
1 1148 . 6 1 1 A 93 93 GLN H H 93 8.873 8.710 0.163 1
1 1149 . 6 1 1 A 93 93 GLN HA H 93 5.048 4.960 0.088 1
1 1156 . 6 1 1 A 93 93 GLN C C 93 174.145 174.518 -0.373 1
1 1157 . 6 1 1 A 93 93 GLN CA C 93 54.262 54.560 -0.298 1
1 1158 . 6 1 1 A 93 93 GLN CB C 93 33.131 32.287 0.844 1
1 1160 . 6 1 1 A 93 93 GLN N N 93 117.328 122.187 -4.859 1
1 1162 . 6 1 1 A 94 94 THR H H 94 8.846 8.584 0.262 1
1 1163 . 6 1 1 A 94 94 THR HA H 94 3.979 4.521 -0.542 1
1 1168 . 6 1 1 A 94 94 THR C C 94 174.677 174.599 0.078 1
1 1169 . 6 1 1 A 94 94 THR CA C 94 64.467 62.615 1.852 1
1 1170 . 6 1 1 A 94 94 THR CB C 94 68.894 69.080 -0.186 1
1 1172 . 6 1 1 A 94 94 THR N N 94 116.526 112.884 3.642 1
1 1173 . 6 1 1 A 95 95 ALA H H 95 8.188 8.602 -0.414 1
1 1174 . 6 1 1 A 95 95 ALA HA H 95 4.161 4.351 -0.190 1
1 1178 . 6 1 1 A 95 95 ALA C C 95 176.285 177.848 -1.563 1
1 1179 . 6 1 1 A 95 95 ALA CA C 95 51.847 52.271 -0.424 1
1 1180 . 6 1 1 A 95 95 ALA CB C 95 18.999 20.175 -1.176 1
1 1181 . 6 1 1 A 95 95 ALA N N 95 126.311 128.574 -2.263 1
1 1182 . 6 1 1 A 96 96 GLN H H 96 8.324 8.644 -0.320 1
1 1183 . 6 1 1 A 96 96 GLN HA H 96 4.175 4.199 -0.024 1
1 1190 . 6 1 1 A 96 96 GLN C C 96 176.230 176.055 0.175 1
1 1191 . 6 1 1 A 96 96 GLN CA C 96 54.621 57.602 -2.981 1
1 1192 . 6 1 1 A 96 96 GLN CB C 96 30.003 28.717 1.286 1
1 1194 . 6 1 1 A 96 96 GLN N N 96 116.920 119.138 -2.218 1
1 1196 . 6 1 1 A 97 97 ASN H H 97 8.512 7.799 0.713 1
1 1197 . 6 1 1 A 97 97 ASN HA H 97 4.436 4.764 -0.328 1
1 1200 . 6 1 1 A 97 97 ASN CA C 97 52.928 51.021 1.907 1
1 1201 . 6 1 1 A 97 97 ASN CB C 97 37.851 40.936 -3.085 1
1 1202 . 6 1 1 A 97 97 ASN N N 97 119.656 112.080 7.576 1
1 1203 . 6 1 1 A 98 98 PRO HA H 98 4.566 4.343 0.223 1
1 1210 . 6 1 1 A 98 98 PRO C C 98 175.164 175.847 -0.683 1
1 1211 . 6 1 1 A 98 98 PRO CA C 98 63.824 63.634 0.190 1
1 1212 . 6 1 1 A 98 98 PRO CB C 98 32.473 32.311 0.162 1
1 1215 . 6 1 1 A 99 99 TYR H H 99 8.780 7.367 1.413 1
1 1216 . 6 1 1 A 99 99 TYR HA H 99 4.996 4.693 0.303 1
1 1223 . 6 1 1 A 99 99 TYR C C 99 176.421 176.311 0.110 1
1 1224 . 6 1 1 A 99 99 TYR CA C 99 55.837 57.556 -1.719 1
1 1225 . 6 1 1 A 99 99 TYR CB C 99 37.199 37.900 -0.701 1
1 1230 . 6 1 1 A 99 99 TYR N N 99 127.975 119.700 8.275 1
1 1231 . 6 1 1 A 100 100 SER H H 100 7.655 8.071 -0.416 1
1 1232 . 6 1 1 A 100 100 SER HA H 100 4.274 4.419 -0.145 1
1 1235 . 6 1 1 A 100 100 SER C C 100 174.144 176.302 -2.158 1
1 1236 . 6 1 1 A 100 100 SER CA C 100 60.567 61.331 -0.764 1
1 1237 . 6 1 1 A 100 100 SER CB C 100 63.266 62.950 0.316 1
1 1238 . 6 1 1 A 100 100 SER N N 100 113.164 117.422 -4.258 1
1 1239 . 6 1 1 A 101 101 ASP H H 101 8.736 8.199 0.537 1
1 1240 . 6 1 1 A 101 101 ASP HA H 101 4.688 4.516 0.172 1
1 1243 . 6 1 1 A 101 101 ASP C C 101 175.535 176.624 -1.089 1
1 1244 . 6 1 1 A 101 101 ASP CA C 101 54.103 56.488 -2.385 1
1 1245 . 6 1 1 A 101 101 ASP CB C 101 40.098 40.602 -0.504 1
1 1246 . 6 1 1 A 101 101 ASP N N 101 118.476 120.606 -2.130 1
1 1247 . 6 1 1 A 102 102 GLU H H 102 8.127 8.401 -0.274 1
1 1248 . 6 1 1 A 102 102 GLU HA H 102 4.448 4.712 -0.264 1
1 1253 . 6 1 1 A 102 102 GLU CA C 102 54.963 55.465 -0.502 1
1 1254 . 6 1 1 A 102 102 GLU CB C 102 31.769 31.439 0.330 1
1 1256 . 6 1 1 A 102 102 GLU N N 102 119.744 117.592 2.152 1
1 1257 . 6 1 1 A 103 103 ILE H H 103 8.645 8.617 0.028 1
1 1258 . 6 1 1 A 103 103 ILE HA H 103 4.001 4.706 -0.705 1
1 1268 . 6 1 1 A 103 103 ILE C C 103 174.065 174.589 -0.524 1
1 1269 . 6 1 1 A 103 103 ILE CA C 103 60.418 60.884 -0.466 1
1 1270 . 6 1 1 A 103 103 ILE CB C 103 40.781 40.562 0.219 1
1 1274 . 6 1 1 A 103 103 ILE N N 103 121.388 120.766 0.622 1
1 1275 . 6 1 1 A 104 104 GLU H H 104 8.957 9.100 -0.143 1
1 1276 . 6 1 1 A 104 104 GLU HA H 104 5.099 4.563 0.536 1
1 1281 . 6 1 1 A 104 104 GLU C C 104 175.093 175.253 -0.160 1
1 1282 . 6 1 1 A 104 104 GLU CA C 104 54.898 56.384 -1.486 1
1 1283 . 6 1 1 A 104 104 GLU CB C 104 32.330 30.034 2.296 1
1 1285 . 6 1 1 A 104 104 GLU N N 104 125.935 128.476 -2.541 1
1 1286 . 6 1 1 A 105 105 THR H H 105 8.774 8.852 -0.078 1
1 1287 . 6 1 1 A 105 105 THR HA H 105 5.226 4.924 0.302 1
1 1292 . 6 1 1 A 105 105 THR C C 105 174.876 173.755 1.121 1
1 1293 . 6 1 1 A 105 105 THR CA C 105 61.469 62.227 -0.758 1
1 1294 . 6 1 1 A 105 105 THR CB C 105 70.382 69.935 0.447 1
1 1296 . 6 1 1 A 105 105 THR N N 105 127.200 121.382 5.818 1
1 1297 . 6 1 1 A 106 106 ILE H H 106 9.186 8.964 0.222 1
1 1298 . 6 1 1 A 106 106 ILE HA H 106 4.486 4.592 -0.106 1
1 1308 . 6 1 1 A 106 106 ILE C C 106 175.412 175.141 0.271 1
1 1309 . 6 1 1 A 106 106 ILE CA C 106 61.423 60.438 0.985 1
1 1310 . 6 1 1 A 106 106 ILE CB C 106 38.432 37.729 0.703 1
1 1313 . 6 1 1 A 106 106 ILE N N 106 107.991 128.453 -20.462 1
1 1314 . 6 1 1 A 107 107 ILE H H 107 8.431 8.284 0.147 1
1 1315 . 6 1 1 A 107 107 ILE HA H 107 4.239 4.424 -0.185 1
1 1325 . 6 1 1 A 107 107 ILE C C 107 173.805 174.642 -0.837 1
1 1326 . 6 1 1 A 107 107 ILE CA C 107 61.459 60.738 0.721 1
1 1327 . 6 1 1 A 107 107 ILE CB C 107 37.499 36.935 0.564 1
1 1331 . 6 1 1 A 107 107 ILE N N 107 129.202 128.415 0.787 1
1 1332 . 6 1 1 A 108 108 CYS H H 108 8.581 9.211 -0.630 1
1 1333 . 6 1 1 A 108 108 CYS HA H 108 5.298 5.043 0.255 1
1 1336 . 6 1 1 A 108 108 CYS C C 108 174.235 173.841 0.394 1
1 1337 . 6 1 1 A 108 108 CYS CA C 108 55.861 56.939 -1.078 1
1 1338 . 6 1 1 A 108 108 CYS CB C 108 31.110 30.844 0.266 1
1 1339 . 6 1 1 A 108 108 CYS N N 108 124.561 127.954 -3.393 1
1 1340 . 6 1 1 A 109 109 THR H H 109 8.701 8.612 0.089 1
1 1341 . 6 1 1 A 109 109 THR HA H 109 4.733 4.448 0.285 1
1 1346 . 6 1 1 A 109 109 THR C C 109 174.927 175.173 -0.246 1
1 1347 . 6 1 1 A 109 109 THR CA C 109 63.466 62.449 1.017 1
1 1348 . 6 1 1 A 109 109 THR CB C 109 69.636 69.631 0.005 1
1 1350 . 6 1 1 A 109 109 THR N N 109 119.017 117.920 1.097 1
1 1351 . 6 1 1 A 110 110 ASN H H 110 8.527 8.723 -0.196 1
1 1352 . 6 1 1 A 110 110 ASN HA H 110 4.891 4.760 0.131 1
1 1357 . 6 1 1 A 110 110 ASN C C 110 174.829 175.724 -0.895 1
1 1358 . 6 1 1 A 110 110 ASN CA C 110 53.104 55.244 -2.140 1
1 1359 . 6 1 1 A 110 110 ASN CB C 110 39.813 39.021 0.792 1
1 1360 . 6 1 1 A 110 110 ASN N N 110 122.861 122.471 0.390 1
1 1362 . 6 1 1 A 111 111 THR H H 111 8.159 7.886 0.273 1
1 1363 . 6 1 1 A 111 111 THR HA H 111 4.407 4.349 0.058 1
1 1368 . 6 1 1 A 111 111 THR C C 111 174.189 174.033 0.156 1
1 1369 . 6 1 1 A 111 111 THR CA C 111 61.900 62.660 -0.760 1
1 1370 . 6 1 1 A 111 111 THR CB C 111 69.400 69.313 0.087 1
1 1372 . 6 1 1 A 111 111 THR N N 111 114.879 114.289 0.590 1
1 1373 . 6 1 1 A 112 112 ASN H H 112 8.359 8.626 -0.267 1
1 1374 . 6 1 1 A 112 112 ASN N N 112 121.000 124.255 -3.255 1
1 1375 . 6 1 1 A 117 117 SER C C 117 174.242 175.030 -0.788 1
1 1376 . 6 1 1 A 117 117 SER CA C 117 58.557 57.190 1.367 1
1 1377 . 6 1 1 A 117 117 SER CB C 117 63.729 64.584 -0.855 1
1 1378 . 6 1 1 A 118 118 GLN H H 118 8.304 8.191 0.113 1
1 1379 . 6 1 1 A 118 118 GLN C C 118 174.889 175.411 -0.522 1
1 1380 . 6 1 1 A 118 118 GLN CA C 118 55.764 57.952 -2.188 1
1 1381 . 6 1 1 A 118 118 GLN CB C 118 29.659 27.420 2.239 1
1 1382 . 6 1 1 A 118 118 GLN N N 118 122.171 115.166 7.005 1
1 1 . 7 1 1 A 2 2 ALA HA H 2 4.298 4.975 -0.677 1
1 5 . 7 1 1 A 2 2 ALA CA C 2 53.448 50.484 2.964 1
1 6 . 7 1 1 A 2 2 ALA CB C 2 19.236 22.885 -3.649 1
1 7 . 7 1 1 A 3 3 MET H H 3 8.518 8.570 -0.052 1
1 12 . 7 1 1 A 3 3 MET N N 3 117.762 117.638 0.124 1
1 13 . 7 1 1 A 4 4 ASP CA C 4 54.632 53.047 1.585 1
1 14 . 7 1 1 A 4 4 ASP CB C 4 41.102 42.809 -1.707 1
1 15 . 7 1 1 A 5 5 ASN H H 5 8.332 8.599 -0.267 1
1 18 . 7 1 1 A 5 5 ASN CA C 5 53.361 55.983 -2.622 1
1 19 . 7 1 1 A 5 5 ASN CB C 5 38.775 39.126 -0.351 1
1 20 . 7 1 1 A 5 5 ASN N N 5 118.200 123.726 -5.526 1
1 22 . 7 1 1 A 6 6 VAL H H 6 7.939 7.855 0.084 1
1 23 . 7 1 1 A 6 6 VAL HA H 6 4.142 4.612 -0.470 1
1 31 . 7 1 1 A 6 6 VAL CA C 6 62.634 59.759 2.875 1
1 32 . 7 1 1 A 6 6 VAL CB C 6 32.598 34.341 -1.743 1
1 35 . 7 1 1 A 6 6 VAL N N 6 120.396 116.679 3.717 1
1 36 . 7 1 1 A 7 7 CYS H H 7 8.304 8.691 -0.387 1
1 37 . 7 1 1 A 7 7 CYS CA C 7 56.095 62.798 -6.703 1
1 38 . 7 1 1 A 7 7 CYS CB C 7 32.967 28.000 4.967 1
1 39 . 7 1 1 A 7 7 CYS N N 7 124.774 125.012 -0.238 1
1 40 . 7 1 1 A 9 9 PRO HA H 9 4.547 4.776 -0.229 1
1 46 . 7 1 1 A 9 9 PRO C C 9 176.493 175.736 0.757 1
1 47 . 7 1 1 A 9 9 PRO CA C 9 63.142 62.374 0.768 1
1 48 . 7 1 1 A 9 9 PRO CB C 9 32.554 33.230 -0.676 1
1 51 . 7 1 1 A 10 10 THR H H 10 8.368 8.808 -0.440 1
1 52 . 7 1 1 A 10 10 THR HA H 10 4.418 4.424 -0.006 1
1 57 . 7 1 1 A 10 10 THR C C 10 172.743 173.574 -0.831 1
1 58 . 7 1 1 A 10 10 THR CA C 10 61.197 62.875 -1.678 1
1 59 . 7 1 1 A 10 10 THR CB C 10 69.660 71.395 -1.735 1
1 61 . 7 1 1 A 10 10 THR N N 10 112.513 113.618 -1.105 1
1 62 . 7 1 1 A 11 11 GLU H H 11 7.813 7.920 -0.107 1
1 63 . 7 1 1 A 11 11 GLU HA H 11 5.549 5.125 0.424 1
1 68 . 7 1 1 A 11 11 GLU C C 11 173.062 174.069 -1.007 1
1 69 . 7 1 1 A 11 11 GLU CA C 11 53.855 55.532 -1.677 1
1 70 . 7 1 1 A 11 11 GLU CB C 11 33.820 32.789 1.031 1
1 72 . 7 1 1 A 11 11 GLU N N 11 119.491 116.398 3.093 1
1 73 . 7 1 1 A 12 12 PHE H H 12 8.198 8.768 -0.570 1
1 74 . 7 1 1 A 12 12 PHE HA H 12 5.014 5.815 -0.801 1
1 82 . 7 1 1 A 12 12 PHE C C 12 171.976 173.556 -1.580 1
1 83 . 7 1 1 A 12 12 PHE CA C 12 55.597 55.301 0.296 1
1 84 . 7 1 1 A 12 12 PHE CB C 12 42.384 42.104 0.280 1
1 90 . 7 1 1 A 12 12 PHE N N 12 111.146 117.380 -6.234 1
1 91 . 7 1 1 A 13 13 ILE H H 13 8.655 8.582 0.073 1
1 92 . 7 1 1 A 13 13 ILE HA H 13 4.165 4.407 -0.242 1
1 102 . 7 1 1 A 13 13 ILE C C 13 173.432 174.864 -1.432 1
1 103 . 7 1 1 A 13 13 ILE CA C 13 62.270 61.865 0.405 1
1 104 . 7 1 1 A 13 13 ILE CB C 13 39.957 36.976 2.981 1
1 108 . 7 1 1 A 13 13 ILE N N 13 121.427 124.482 -3.055 1
1 109 . 7 1 1 A 14 14 SER H H 14 8.034 8.997 -0.963 1
1 110 . 7 1 1 A 14 14 SER HA H 14 5.588 5.281 0.307 1
1 113 . 7 1 1 A 14 14 SER C C 14 173.429 173.610 -0.181 1
1 114 . 7 1 1 A 14 14 SER CA C 14 56.650 56.574 0.076 1
1 115 . 7 1 1 A 14 14 SER CB C 14 70.177 64.489 5.688 1
1 116 . 7 1 1 A 14 14 SER N N 14 121.358 123.618 -2.260 1
1 117 . 7 1 1 A 15 15 ARG H H 15 9.545 8.955 0.590 1
1 118 . 7 1 1 A 15 15 ARG HA H 15 5.826 4.811 1.015 1
1 126 . 7 1 1 A 15 15 ARG C C 15 176.042 175.847 0.195 1
1 127 . 7 1 1 A 15 15 ARG CA C 15 55.105 55.571 -0.466 1
1 128 . 7 1 1 A 15 15 ARG CB C 15 35.587 32.445 3.142 1
1 131 . 7 1 1 A 15 15 ARG N N 15 118.317 127.090 -8.773 1
1 133 . 7 1 1 A 16 16 HIS H H 16 8.730 8.227 0.503 1
1 134 . 7 1 1 A 16 16 HIS HA H 16 5.555 5.499 0.056 1
1 141 . 7 1 1 A 16 16 HIS C C 16 174.062 172.883 1.179 1
1 142 . 7 1 1 A 16 16 HIS CA C 16 54.057 54.493 -0.436 1
1 143 . 7 1 1 A 16 16 HIS CB C 16 31.334 31.570 -0.236 1
1 146 . 7 1 1 A 16 16 HIS N N 16 117.425 117.433 -0.008 1
1 148 . 7 1 1 A 17 17 ASN H H 17 8.201 8.562 -0.361 1
1 149 . 7 1 1 A 17 17 ASN HA H 17 4.897 4.984 -0.087 1
1 154 . 7 1 1 A 17 17 ASN C C 17 178.263 175.647 2.616 1
1 155 . 7 1 1 A 17 17 ASN CA C 17 51.104 51.376 -0.272 1
1 156 . 7 1 1 A 17 17 ASN CB C 17 38.469 39.439 -0.970 1
1 157 . 7 1 1 A 17 17 ASN N N 17 116.276 118.056 -1.780 1
1 159 . 7 1 1 A 18 18 ILE H H 18 8.774 8.789 -0.015 1
1 160 . 7 1 1 A 18 18 ILE HA H 18 3.795 3.906 -0.111 1
1 170 . 7 1 1 A 18 18 ILE C C 18 174.851 177.719 -2.868 1
1 171 . 7 1 1 A 18 18 ILE CA C 18 64.399 64.107 0.292 1
1 172 . 7 1 1 A 18 18 ILE CB C 18 38.072 37.886 0.186 1
1 176 . 7 1 1 A 18 18 ILE N N 18 120.001 120.201 -0.200 1
1 177 . 7 1 1 A 19 19 GLU H H 19 7.213 7.849 -0.636 1
1 178 . 7 1 1 A 19 19 GLU HA H 19 4.225 4.117 0.108 1
1 183 . 7 1 1 A 19 19 GLU CA C 19 57.145 56.819 0.326 1
1 184 . 7 1 1 A 19 19 GLU CB C 19 29.878 29.790 0.088 1
1 186 . 7 1 1 A 19 19 GLU N N 19 116.538 119.922 -3.384 1
1 187 . 7 1 1 A 20 20 GLY H H 20 7.845 7.831 0.014 1
1 188 . 7 1 1 A 20 20 GLY HA2 H 20 4.878 2.782 2.096 1
1 189 . 7 1 1 A 20 20 GLY HA3 H 20 2.886 3.633 -0.747 1
1 190 . 7 1 1 A 20 20 GLY C C 20 172.992 174.082 -1.090 1
1 191 . 7 1 1 A 20 20 GLY CA C 20 44.049 44.307 -0.258 1
1 192 . 7 1 1 A 20 20 GLY N N 20 104.883 106.153 -1.270 1
1 193 . 7 1 1 A 21 21 ILE H H 21 7.841 7.568 0.273 1
1 194 . 7 1 1 A 21 21 ILE HA H 21 3.995 3.857 0.138 1
1 204 . 7 1 1 A 21 21 ILE C C 21 176.915 175.478 1.437 1
1 205 . 7 1 1 A 21 21 ILE CA C 21 60.302 61.835 -1.533 1
1 206 . 7 1 1 A 21 21 ILE CB C 21 36.111 37.986 -1.875 1
1 210 . 7 1 1 A 21 21 ILE N N 21 120.855 122.633 -1.778 1
1 211 . 7 1 1 A 22 22 PHE H H 22 8.896 8.587 0.309 1
1 212 . 7 1 1 A 22 22 PHE HA H 22 5.052 5.030 0.022 1
1 220 . 7 1 1 A 22 22 PHE C C 22 177.971 176.188 1.783 1
1 221 . 7 1 1 A 22 22 PHE CA C 22 59.625 58.656 0.969 1
1 222 . 7 1 1 A 22 22 PHE CB C 22 39.984 38.823 1.161 1
1 228 . 7 1 1 A 22 22 PHE N N 22 125.849 128.603 -2.754 1
1 229 . 7 1 1 A 23 23 THR H H 23 9.771 8.740 1.031 1
1 230 . 7 1 1 A 23 23 THR HA H 23 4.403 4.483 -0.080 1
1 235 . 7 1 1 A 23 23 THR C C 23 175.589 174.478 1.111 1
1 236 . 7 1 1 A 23 23 THR CA C 23 61.611 62.247 -0.636 1
1 237 . 7 1 1 A 23 23 THR CB C 23 69.193 69.108 0.085 1
1 239 . 7 1 1 A 23 23 THR N N 23 117.677 115.516 2.161 1
1 240 . 7 1 1 A 24 24 PHE H H 24 7.948 7.456 0.492 1
1 241 . 7 1 1 A 24 24 PHE HA H 24 4.483 4.791 -0.308 1
1 249 . 7 1 1 A 24 24 PHE C C 24 173.376 173.303 0.073 1
1 250 . 7 1 1 A 24 24 PHE CA C 24 59.142 58.285 0.857 1
1 251 . 7 1 1 A 24 24 PHE CB C 24 42.161 42.403 -0.242 1
1 257 . 7 1 1 A 24 24 PHE N N 24 123.378 121.203 2.175 1
1 258 . 7 1 1 A 25 25 VAL H H 25 7.340 7.387 -0.047 1
1 259 . 7 1 1 A 25 25 VAL HA H 25 4.166 4.315 -0.149 1
1 267 . 7 1 1 A 25 25 VAL C C 25 173.103 173.579 -0.476 1
1 268 . 7 1 1 A 25 25 VAL CA C 25 61.539 60.367 1.172 1
1 269 . 7 1 1 A 25 25 VAL CB C 25 35.683 35.059 0.624 1
1 272 . 7 1 1 A 25 25 VAL N N 25 124.777 123.354 1.423 1
1 273 . 7 1 1 A 26 26 ASP H H 26 7.942 8.412 -0.470 1
1 274 . 7 1 1 A 26 26 ASP HA H 26 4.466 4.529 -0.063 1
1 277 . 7 1 1 A 26 26 ASP C C 26 175.258 177.264 -2.006 1
1 278 . 7 1 1 A 26 26 ASP CA C 26 53.318 54.367 -1.049 1
1 279 . 7 1 1 A 26 26 ASP CB C 26 42.461 42.268 0.193 1
1 280 . 7 1 1 A 26 26 ASP N N 26 125.573 126.514 -0.941 1
1 281 . 7 1 1 A 27 27 HIS H H 27 8.115 8.900 -0.785 1
1 282 . 7 1 1 A 27 27 HIS HA H 27 4.222 4.109 0.113 1
1 286 . 7 1 1 A 27 27 HIS C C 27 177.268 176.424 0.844 1
1 287 . 7 1 1 A 27 27 HIS CA C 27 59.164 58.726 0.438 1
1 288 . 7 1 1 A 27 27 HIS CB C 27 30.374 29.235 1.139 1
1 290 . 7 1 1 A 27 27 HIS N N 27 117.576 123.587 -6.011 1
1 291 . 7 1 1 A 28 28 ARG H H 28 8.724 7.904 0.820 1
1 292 . 7 1 1 A 28 28 ARG HA H 28 4.210 3.675 0.535 1
1 300 . 7 1 1 A 28 28 ARG C C 28 177.838 179.177 -1.339 1
1 301 . 7 1 1 A 28 28 ARG CA C 28 58.199 59.175 -0.976 1
1 302 . 7 1 1 A 28 28 ARG CB C 28 29.815 29.430 0.385 1
1 305 . 7 1 1 A 28 28 ARG N N 28 122.414 120.517 1.897 1
1 307 . 7 1 1 A 29 29 CYS H H 29 8.102 8.229 -0.127 1
1 308 . 7 1 1 A 29 29 CYS HA H 29 3.124 3.038 0.086 1
1 311 . 7 1 1 A 29 29 CYS C C 29 175.551 176.934 -1.383 1
1 312 . 7 1 1 A 29 29 CYS CA C 29 59.988 61.005 -1.017 1
1 313 . 7 1 1 A 29 29 CYS CB C 29 25.101 26.335 -1.234 1
1 314 . 7 1 1 A 29 29 CYS N N 29 119.987 117.485 2.502 1
1 315 . 7 1 1 A 30 30 VAL H H 30 7.139 7.103 0.036 1
1 316 . 7 1 1 A 30 30 VAL HA H 30 3.373 3.641 -0.268 1
1 324 . 7 1 1 A 30 30 VAL C C 30 178.225 178.009 0.216 1
1 325 . 7 1 1 A 30 30 VAL CA C 30 65.903 64.546 1.357 1
1 326 . 7 1 1 A 30 30 VAL CB C 30 31.446 31.520 -0.074 1
1 329 . 7 1 1 A 30 30 VAL N N 30 125.016 119.280 5.736 1
1 330 . 7 1 1 A 31 31 ALA H H 31 7.393 7.776 -0.383 1
1 331 . 7 1 1 A 31 31 ALA HA H 31 4.126 4.086 0.040 1
1 335 . 7 1 1 A 31 31 ALA C C 31 178.111 179.716 -1.605 1
1 336 . 7 1 1 A 31 31 ALA CA C 31 53.715 54.371 -0.656 1
1 337 . 7 1 1 A 31 31 ALA CB C 31 19.223 18.418 0.805 1
1 338 . 7 1 1 A 31 31 ALA N N 31 120.554 123.975 -3.421 1
1 339 . 7 1 1 A 32 32 THR H H 32 7.253 7.751 -0.498 1
1 340 . 7 1 1 A 32 32 THR HA H 32 4.116 4.065 0.051 1
1 345 . 7 1 1 A 32 32 THR C C 32 175.655 176.001 -0.346 1
1 346 . 7 1 1 A 32 32 THR CA C 32 64.727 65.356 -0.629 1
1 347 . 7 1 1 A 32 32 THR CB C 32 69.144 69.370 -0.226 1
1 349 . 7 1 1 A 32 32 THR N N 32 109.150 113.424 -4.274 1
1 350 . 7 1 1 A 33 33 VAL H H 33 7.939 7.691 0.248 1
1 351 . 7 1 1 A 33 33 VAL HA H 33 4.504 4.633 -0.129 1
1 359 . 7 1 1 A 33 33 VAL C C 33 175.594 176.266 -0.672 1
1 360 . 7 1 1 A 33 33 VAL CA C 33 60.596 60.491 0.105 1
1 361 . 7 1 1 A 33 33 VAL CB C 33 34.900 31.410 3.490 1
1 364 . 7 1 1 A 33 33 VAL N N 33 108.519 113.177 -4.658 1
1 365 . 7 1 1 A 34 34 GLY H H 34 7.439 7.786 -0.347 1
1 366 . 7 1 1 A 34 34 GLY HA2 H 34 4.099 3.692 0.407 1
1 367 . 7 1 1 A 34 34 GLY HA3 H 34 3.846 3.792 0.054 1
1 368 . 7 1 1 A 34 34 GLY C C 34 173.655 173.575 0.080 1
1 369 . 7 1 1 A 34 34 GLY CA C 34 46.538 45.410 1.128 1
1 370 . 7 1 1 A 34 34 GLY N N 34 109.672 110.209 -0.537 1
1 371 . 7 1 1 A 35 35 TYR H H 35 6.215 7.577 -1.362 1
1 372 . 7 1 1 A 35 35 TYR HA H 35 4.415 4.870 -0.455 1
1 379 . 7 1 1 A 35 35 TYR C C 35 174.492 175.306 -0.814 1
1 380 . 7 1 1 A 35 35 TYR CA C 35 57.289 58.889 -1.600 1
1 381 . 7 1 1 A 35 35 TYR CB C 35 40.784 38.025 2.759 1
1 386 . 7 1 1 A 35 35 TYR N N 35 117.067 119.978 -2.911 1
1 387 . 7 1 1 A 36 36 GLN H H 36 9.145 8.525 0.620 1
1 388 . 7 1 1 A 36 36 GLN HA H 36 4.285 4.231 0.054 1
1 393 . 7 1 1 A 36 36 GLN CA C 36 53.760 54.597 -0.837 1
1 394 . 7 1 1 A 36 36 GLN CB C 36 27.558 28.378 -0.820 1
1 396 . 7 1 1 A 36 36 GLN N N 36 117.664 123.957 -6.293 1
1 397 . 7 1 1 A 37 37 PRO HA H 37 3.755 4.051 -0.296 1
1 404 . 7 1 1 A 37 37 PRO C C 37 178.629 178.184 0.445 1
1 405 . 7 1 1 A 37 37 PRO CA C 37 66.415 65.756 0.659 1
1 406 . 7 1 1 A 37 37 PRO CB C 37 31.313 31.657 -0.344 1
1 409 . 7 1 1 A 38 38 GLN H H 38 8.870 8.817 0.053 1
1 410 . 7 1 1 A 38 38 GLN HA H 38 3.996 4.070 -0.074 1
1 415 . 7 1 1 A 38 38 GLN C C 38 177.121 177.745 -0.624 1
1 416 . 7 1 1 A 38 38 GLN CA C 38 58.468 58.715 -0.247 1
1 417 . 7 1 1 A 38 38 GLN CB C 38 27.259 27.712 -0.453 1
1 419 . 7 1 1 A 38 38 GLN N N 38 113.031 115.411 -2.380 1
1 420 . 7 1 1 A 39 39 GLU H H 39 7.799 7.907 -0.108 1
1 421 . 7 1 1 A 39 39 GLU HA H 39 4.203 4.185 0.018 1
1 426 . 7 1 1 A 39 39 GLU C C 39 175.485 177.235 -1.750 1
1 427 . 7 1 1 A 39 39 GLU CA C 39 57.598 58.510 -0.912 1
1 428 . 7 1 1 A 39 39 GLU CB C 39 30.955 29.509 1.446 1
1 430 . 7 1 1 A 39 39 GLU N N 39 117.366 119.652 -2.286 1
1 431 . 7 1 1 A 40 40 LEU H H 40 7.001 7.313 -0.312 1
1 432 . 7 1 1 A 40 40 LEU HA H 40 4.205 4.520 -0.315 1
1 442 . 7 1 1 A 40 40 LEU C C 40 176.417 177.361 -0.944 1
1 443 . 7 1 1 A 40 40 LEU CA C 40 55.345 55.722 -0.377 1
1 444 . 7 1 1 A 40 40 LEU CB C 40 43.190 43.492 -0.302 1
1 448 . 7 1 1 A 40 40 LEU N N 40 116.615 118.476 -1.861 1
1 449 . 7 1 1 A 41 41 LEU H H 41 7.521 7.935 -0.414 1
1 450 . 7 1 1 A 41 41 LEU HA H 41 3.678 4.410 -0.732 1
1 460 . 7 1 1 A 41 41 LEU C C 41 177.754 177.960 -0.206 1
1 461 . 7 1 1 A 41 41 LEU CA C 41 57.050 57.247 -0.197 1
1 462 . 7 1 1 A 41 41 LEU CB C 41 42.155 41.637 0.518 1
1 466 . 7 1 1 A 41 41 LEU N N 41 117.814 121.221 -3.407 1
1 467 . 7 1 1 A 42 42 GLY H H 42 8.535 9.296 -0.761 1
1 468 . 7 1 1 A 42 42 GLY HA2 H 42 4.328 4.016 0.312 1
1 469 . 7 1 1 A 42 42 GLY HA3 H 42 3.601 4.016 -0.415 1
1 470 . 7 1 1 A 42 42 GLY C C 42 173.808 173.759 0.049 1
1 471 . 7 1 1 A 42 42 GLY CA C 42 45.689 45.339 0.350 1
1 472 . 7 1 1 A 42 42 GLY N N 42 110.496 111.933 -1.437 1
1 473 . 7 1 1 A 43 43 LYS H H 43 8.398 8.124 0.274 1
1 474 . 7 1 1 A 43 43 LYS HA H 43 4.680 4.585 0.095 1
1 483 . 7 1 1 A 43 43 LYS C C 43 173.943 175.516 -1.573 1
1 484 . 7 1 1 A 43 43 LYS CA C 43 54.361 54.672 -0.311 1
1 485 . 7 1 1 A 43 43 LYS CB C 43 33.960 34.187 -0.227 1
1 489 . 7 1 1 A 43 43 LYS N N 43 120.461 120.781 -0.320 1
1 490 . 7 1 1 A 44 44 ASN H H 44 8.892 8.173 0.719 1
1 491 . 7 1 1 A 44 44 ASN HA H 44 4.690 4.609 0.081 1
1 496 . 7 1 1 A 44 44 ASN C C 44 176.922 175.667 1.255 1
1 497 . 7 1 1 A 44 44 ASN CA C 44 52.256 53.285 -1.029 1
1 498 . 7 1 1 A 44 44 ASN CB C 44 40.451 39.589 0.862 1
1 499 . 7 1 1 A 44 44 ASN N N 44 119.869 121.866 -1.997 1
1 501 . 7 1 1 A 45 45 ILE H H 45 8.543 8.219 0.324 1
1 502 . 7 1 1 A 45 45 ILE HA H 45 3.887 3.662 0.225 1
1 511 . 7 1 1 A 45 45 ILE C C 45 176.137 177.039 -0.902 1
1 512 . 7 1 1 A 45 45 ILE CA C 45 65.116 64.133 0.983 1
1 513 . 7 1 1 A 45 45 ILE CB C 45 36.637 37.407 -0.770 1
1 517 . 7 1 1 A 45 45 ILE N N 45 129.131 127.534 1.597 1
1 518 . 7 1 1 A 46 46 VAL H H 46 9.059 7.354 1.705 1
1 519 . 7 1 1 A 46 46 VAL HA H 46 3.439 3.739 -0.300 1
1 527 . 7 1 1 A 46 46 VAL C C 46 178.407 178.158 0.249 1
1 528 . 7 1 1 A 46 46 VAL CA C 46 65.705 65.380 0.325 1
1 529 . 7 1 1 A 46 46 VAL CB C 46 31.022 31.176 -0.154 1
1 532 . 7 1 1 A 46 46 VAL N N 46 118.981 117.727 1.254 1
1 533 . 7 1 1 A 47 47 GLU H H 47 7.923 8.377 -0.454 1
1 534 . 7 1 1 A 47 47 GLU HA H 47 3.989 3.917 0.072 1
1 539 . 7 1 1 A 47 47 GLU C C 47 177.664 178.492 -0.828 1
1 540 . 7 1 1 A 47 47 GLU CA C 47 57.999 59.036 -1.037 1
1 541 . 7 1 1 A 47 47 GLU CB C 47 28.849 28.961 -0.112 1
1 543 . 7 1 1 A 47 47 GLU N N 47 117.733 121.459 -3.726 1
1 544 . 7 1 1 A 48 48 PHE H H 48 7.689 7.427 0.262 1
1 545 . 7 1 1 A 48 48 PHE HA H 48 4.177 4.231 -0.054 1
1 553 . 7 1 1 A 48 48 PHE C C 48 172.739 175.849 -3.110 1
1 554 . 7 1 1 A 48 48 PHE CA C 48 57.725 59.669 -1.944 1
1 555 . 7 1 1 A 48 48 PHE CB C 48 39.428 39.428 0.000 1
1 561 . 7 1 1 A 48 48 PHE N N 48 117.768 115.148 2.620 1
1 562 . 7 1 1 A 49 49 CYS H H 49 7.413 7.359 0.054 1
1 563 . 7 1 1 A 49 49 CYS HA H 49 5.671 4.996 0.675 1
1 566 . 7 1 1 A 49 49 CYS CA C 49 56.429 60.007 -3.578 1
1 567 . 7 1 1 A 49 49 CYS CB C 49 28.747 28.127 0.620 1
1 568 . 7 1 1 A 49 49 CYS N N 49 119.705 118.183 1.522 1
1 569 . 7 1 1 A 50 50 HIS H H 50 8.640 8.582 0.058 1
1 570 . 7 1 1 A 50 50 HIS HA H 50 3.655 4.005 -0.350 1
1 574 . 7 1 1 A 50 50 HIS CA C 50 56.934 54.814 2.120 1
1 575 . 7 1 1 A 50 50 HIS CB C 50 32.071 30.248 1.823 1
1 577 . 7 1 1 A 50 50 HIS N N 50 134.180 124.833 9.347 1
1 578 . 7 1 1 A 51 51 PRO HA H 51 4.044 4.142 -0.098 1
1 584 . 7 1 1 A 51 51 PRO C C 51 179.121 178.910 0.211 1
1 585 . 7 1 1 A 51 51 PRO CA C 51 65.989 66.057 -0.068 1
1 586 . 7 1 1 A 51 51 PRO CB C 51 32.605 31.616 0.989 1
1 589 . 7 1 1 A 52 52 GLU H H 52 10.986 8.976 2.010 1
1 590 . 7 1 1 A 52 52 GLU HA H 52 4.125 4.131 -0.006 1
1 595 . 7 1 1 A 52 52 GLU C C 52 177.643 177.149 0.494 1
1 596 . 7 1 1 A 52 52 GLU CA C 52 58.522 58.977 -0.455 1
1 597 . 7 1 1 A 52 52 GLU CB C 52 29.347 28.931 0.416 1
1 599 . 7 1 1 A 52 52 GLU N N 52 119.351 117.761 1.590 1
1 600 . 7 1 1 A 53 53 ASP H H 53 8.203 8.099 0.104 1
1 601 . 7 1 1 A 53 53 ASP HA H 53 4.898 4.673 0.225 1
1 604 . 7 1 1 A 53 53 ASP C C 53 175.641 177.214 -1.573 1
1 605 . 7 1 1 A 53 53 ASP CA C 53 54.092 54.545 -0.453 1
1 606 . 7 1 1 A 53 53 ASP CB C 53 43.596 41.821 1.775 1
1 607 . 7 1 1 A 53 53 ASP N N 53 117.757 117.754 0.003 1
1 608 . 7 1 1 A 54 54 GLN H H 54 6.922 7.987 -1.065 1
1 609 . 7 1 1 A 54 54 GLN HA H 54 3.985 3.962 0.023 1
1 616 . 7 1 1 A 54 54 GLN C C 54 177.417 178.710 -1.293 1
1 617 . 7 1 1 A 54 54 GLN CA C 54 60.084 58.887 1.197 1
1 618 . 7 1 1 A 54 54 GLN CB C 54 28.448 28.218 0.230 1
1 620 . 7 1 1 A 54 54 GLN N N 54 118.680 119.339 -0.659 1
1 622 . 7 1 1 A 55 55 GLN H H 55 8.663 7.969 0.694 1
1 623 . 7 1 1 A 55 55 GLN HA H 55 3.778 4.047 -0.269 1
1 630 . 7 1 1 A 55 55 GLN C C 55 177.398 178.131 -0.733 1
1 631 . 7 1 1 A 55 55 GLN CA C 55 58.812 58.500 0.312 1
1 632 . 7 1 1 A 55 55 GLN CB C 55 27.402 28.598 -1.196 1
1 634 . 7 1 1 A 55 55 GLN N N 55 119.173 119.884 -0.711 1
1 636 . 7 1 1 A 56 56 LEU H H 56 7.935 7.676 0.259 1
1 637 . 7 1 1 A 56 56 LEU HA H 56 4.071 4.088 -0.017 1
1 647 . 7 1 1 A 56 56 LEU C C 56 180.037 178.032 2.005 1
1 648 . 7 1 1 A 56 56 LEU CA C 56 57.698 57.418 0.280 1
1 649 . 7 1 1 A 56 56 LEU CB C 56 41.586 42.271 -0.685 1
1 653 . 7 1 1 A 56 56 LEU N N 56 119.661 120.660 -0.999 1
1 654 . 7 1 1 A 57 57 LEU H H 57 7.382 7.890 -0.508 1
1 655 . 7 1 1 A 57 57 LEU HA H 57 3.575 3.631 -0.056 1
1 665 . 7 1 1 A 57 57 LEU C C 57 178.470 178.200 0.270 1
1 666 . 7 1 1 A 57 57 LEU CA C 57 57.703 58.073 -0.370 1
1 667 . 7 1 1 A 57 57 LEU CB C 57 42.077 41.533 0.544 1
1 671 . 7 1 1 A 57 57 LEU N N 57 119.857 119.929 -0.072 1
1 672 . 7 1 1 A 58 58 ARG H H 58 8.118 8.587 -0.469 1
1 673 . 7 1 1 A 58 58 ARG HA H 58 3.338 3.854 -0.516 1
1 680 . 7 1 1 A 58 58 ARG C C 58 179.713 178.665 1.048 1
1 681 . 7 1 1 A 58 58 ARG CA C 58 60.120 59.594 0.526 1
1 682 . 7 1 1 A 58 58 ARG CB C 58 30.320 29.843 0.477 1
1 685 . 7 1 1 A 58 58 ARG N N 58 118.198 117.847 0.351 1
1 686 . 7 1 1 A 59 59 ASP H H 59 8.748 7.949 0.799 1
1 687 . 7 1 1 A 59 59 ASP HA H 59 4.336 4.273 0.063 1
1 690 . 7 1 1 A 59 59 ASP C C 59 179.130 178.014 1.116 1
1 691 . 7 1 1 A 59 59 ASP CA C 59 57.197 57.592 -0.395 1
1 692 . 7 1 1 A 59 59 ASP CB C 59 40.212 41.761 -1.549 1
1 693 . 7 1 1 A 59 59 ASP N N 59 119.165 119.733 -0.568 1
1 694 . 7 1 1 A 60 60 SER H H 60 7.552 8.174 -0.622 1
1 695 . 7 1 1 A 60 60 SER HA H 60 4.116 4.154 -0.038 1
1 698 . 7 1 1 A 60 60 SER C C 60 175.883 177.325 -1.442 1
1 699 . 7 1 1 A 60 60 SER CA C 60 61.975 61.252 0.723 1
1 700 . 7 1 1 A 60 60 SER CB C 60 63.098 61.892 1.206 1
1 701 . 7 1 1 A 60 60 SER N N 60 117.761 115.132 2.629 1
1 702 . 7 1 1 A 61 61 PHE H H 61 7.063 7.442 -0.379 1
1 703 . 7 1 1 A 61 61 PHE HA H 61 4.614 4.389 0.225 1
1 711 . 7 1 1 A 61 61 PHE C C 61 177.561 178.400 -0.839 1
1 712 . 7 1 1 A 61 61 PHE CA C 61 56.777 61.878 -5.101 1
1 713 . 7 1 1 A 61 61 PHE CB C 61 36.564 38.334 -1.770 1
1 719 . 7 1 1 A 61 61 PHE N N 61 122.009 119.115 2.894 1
1 720 . 7 1 1 A 62 62 GLN H H 62 7.376 8.328 -0.952 1
1 721 . 7 1 1 A 62 62 GLN HA H 62 4.038 3.995 0.043 1
1 726 . 7 1 1 A 62 62 GLN C C 62 179.093 178.855 0.238 1
1 727 . 7 1 1 A 62 62 GLN CA C 62 58.240 59.394 -1.154 1
1 728 . 7 1 1 A 62 62 GLN CB C 62 28.094 28.407 -0.313 1
1 730 . 7 1 1 A 62 62 GLN N N 62 114.929 118.297 -3.368 1
1 731 . 7 1 1 A 63 63 GLN H H 63 7.893 7.774 0.119 1
1 732 . 7 1 1 A 63 63 GLN HA H 63 4.083 4.199 -0.116 1
1 737 . 7 1 1 A 63 63 GLN C C 63 178.244 178.608 -0.364 1
1 738 . 7 1 1 A 63 63 GLN CA C 63 58.408 58.322 0.086 1
1 739 . 7 1 1 A 63 63 GLN CB C 63 28.755 28.589 0.166 1
1 741 . 7 1 1 A 63 63 GLN N N 63 117.434 120.141 -2.707 1
1 742 . 7 1 1 A 64 64 VAL H H 64 8.220 8.193 0.027 1
1 743 . 7 1 1 A 64 64 VAL HA H 64 3.663 4.108 -0.445 1
1 751 . 7 1 1 A 64 64 VAL C C 64 177.137 178.075 -0.938 1
1 752 . 7 1 1 A 64 64 VAL CA C 64 66.107 65.558 0.549 1
1 753 . 7 1 1 A 64 64 VAL CB C 64 31.475 31.616 -0.141 1
1 756 . 7 1 1 A 64 64 VAL N N 64 118.766 117.117 1.649 1
1 757 . 7 1 1 A 65 65 VAL H H 65 6.860 7.552 -0.692 1
1 758 . 7 1 1 A 65 65 VAL HA H 65 3.833 3.901 -0.068 1
1 766 . 7 1 1 A 65 65 VAL C C 65 177.624 177.971 -0.347 1
1 767 . 7 1 1 A 65 65 VAL CA C 65 64.200 64.761 -0.561 1
1 768 . 7 1 1 A 65 65 VAL CB C 65 31.730 31.934 -0.204 1
1 771 . 7 1 1 A 65 65 VAL N N 65 112.590 122.432 -9.842 1
1 772 . 7 1 1 A 66 66 LYS H H 66 7.431 7.834 -0.403 1
1 773 . 7 1 1 A 66 66 LYS HA H 66 4.184 3.983 0.201 1
1 782 . 7 1 1 A 66 66 LYS C C 66 177.374 178.198 -0.824 1
1 783 . 7 1 1 A 66 66 LYS CA C 66 58.190 59.757 -1.567 1
1 784 . 7 1 1 A 66 66 LYS CB C 66 33.232 32.291 0.941 1
1 788 . 7 1 1 A 66 66 LYS N N 66 119.643 121.927 -2.284 1
1 789 . 7 1 1 A 67 67 LEU H H 67 7.859 8.144 -0.285 1
1 790 . 7 1 1 A 67 67 LEU HA H 67 4.552 4.316 0.236 1
1 800 . 7 1 1 A 67 67 LEU C C 67 175.532 176.039 -0.507 1
1 801 . 7 1 1 A 67 67 LEU CA C 67 53.108 55.176 -2.068 1
1 802 . 7 1 1 A 67 67 LEU CB C 67 40.979 41.830 -0.851 1
1 806 . 7 1 1 A 67 67 LEU N N 67 121.288 117.949 3.339 1
1 807 . 7 1 1 A 68 68 LYS H H 68 7.475 8.136 -0.661 1
1 808 . 7 1 1 A 68 68 LYS HA H 68 4.156 4.163 -0.007 1
1 817 . 7 1 1 A 68 68 LYS C C 68 177.987 175.764 2.223 1
1 818 . 7 1 1 A 68 68 LYS CA C 68 58.388 57.248 1.140 1
1 819 . 7 1 1 A 68 68 LYS CB C 68 32.207 31.794 0.413 1
1 823 . 7 1 1 A 68 68 LYS N N 68 119.626 118.474 1.152 1
1 824 . 7 1 1 A 69 69 GLY H H 69 8.696 8.147 0.549 1
1 825 . 7 1 1 A 69 69 GLY HA2 H 69 4.294 4.044 0.250 1
1 826 . 7 1 1 A 69 69 GLY HA3 H 69 3.896 4.047 -0.151 1
1 827 . 7 1 1 A 69 69 GLY CA C 69 45.335 45.108 0.227 1
1 828 . 7 1 1 A 69 69 GLY N N 69 113.681 111.964 1.717 1
1 829 . 7 1 1 A 70 70 GLN H H 70 8.031 7.904 0.127 1
1 830 . 7 1 1 A 70 70 GLN HA H 70 4.508 4.277 0.231 1
1 835 . 7 1 1 A 70 70 GLN C C 70 174.684 175.015 -0.331 1
1 836 . 7 1 1 A 70 70 GLN CA C 70 55.347 56.299 -0.952 1
1 837 . 7 1 1 A 70 70 GLN CB C 70 30.111 29.292 0.819 1
1 839 . 7 1 1 A 70 70 GLN N N 70 119.949 121.756 -1.807 1
1 840 . 7 1 1 A 71 71 VAL H H 71 8.232 8.513 -0.281 1
1 841 . 7 1 1 A 71 71 VAL HA H 71 4.822 4.687 0.135 1
1 849 . 7 1 1 A 71 71 VAL C C 71 176.406 174.564 1.842 1
1 850 . 7 1 1 A 71 71 VAL CA C 71 61.198 62.268 -1.070 1
1 851 . 7 1 1 A 71 71 VAL CB C 71 32.964 32.833 0.131 1
1 854 . 7 1 1 A 71 71 VAL N N 71 121.816 126.915 -5.099 1
1 855 . 7 1 1 A 72 72 LEU H H 72 9.052 9.464 -0.412 1
1 856 . 7 1 1 A 72 72 LEU HA H 72 4.827 5.189 -0.362 1
1 865 . 7 1 1 A 72 72 LEU C C 72 175.411 175.805 -0.394 1
1 866 . 7 1 1 A 72 72 LEU CA C 72 52.895 53.597 -0.702 1
1 867 . 7 1 1 A 72 72 LEU CB C 72 44.755 44.702 0.053 1
1 870 . 7 1 1 A 72 72 LEU N N 72 130.331 130.576 -0.245 1
1 871 . 7 1 1 A 73 73 SER H H 73 8.057 9.045 -0.988 1
1 872 . 7 1 1 A 73 73 SER HA H 73 5.211 6.082 -0.871 1
1 875 . 7 1 1 A 73 73 SER C C 73 174.562 173.495 1.067 1
1 876 . 7 1 1 A 73 73 SER CA C 73 56.591 56.775 -0.184 1
1 877 . 7 1 1 A 73 73 SER CB C 73 66.336 64.634 1.702 1
1 878 . 7 1 1 A 73 73 SER N N 73 113.040 117.508 -4.468 1
1 879 . 7 1 1 A 74 74 VAL H H 74 8.799 8.693 0.106 1
1 880 . 7 1 1 A 74 74 VAL HA H 74 4.705 4.930 -0.225 1
1 888 . 7 1 1 A 74 74 VAL C C 74 174.122 174.009 0.113 1
1 889 . 7 1 1 A 74 74 VAL CA C 74 59.403 59.645 -0.242 1
1 890 . 7 1 1 A 74 74 VAL CB C 74 35.474 35.439 0.035 1
1 893 . 7 1 1 A 74 74 VAL N N 74 122.721 121.076 1.645 1
1 894 . 7 1 1 A 75 75 MET H H 75 8.195 8.804 -0.609 1
1 895 . 7 1 1 A 75 75 MET HA H 75 5.922 6.066 -0.144 1
1 903 . 7 1 1 A 75 75 MET C C 75 175.531 175.657 -0.126 1
1 904 . 7 1 1 A 75 75 MET CA C 75 54.021 54.037 -0.016 1
1 905 . 7 1 1 A 75 75 MET CB C 75 34.750 34.054 0.696 1
1 908 . 7 1 1 A 75 75 MET N N 75 120.057 123.691 -3.634 1
1 909 . 7 1 1 A 76 76 PHE H H 76 9.394 9.148 0.246 1
1 910 . 7 1 1 A 76 76 PHE HA H 76 5.004 5.138 -0.134 1
1 918 . 7 1 1 A 76 76 PHE C C 76 171.623 172.310 -0.687 1
1 919 . 7 1 1 A 76 76 PHE CA C 76 55.802 55.493 0.309 1
1 920 . 7 1 1 A 76 76 PHE CB C 76 42.072 42.058 0.014 1
1 926 . 7 1 1 A 76 76 PHE N N 76 120.244 119.982 0.262 1
1 927 . 7 1 1 A 77 77 ARG H H 77 8.783 8.234 0.549 1
1 928 . 7 1 1 A 77 77 ARG HA H 77 4.420 4.188 0.232 1
1 936 . 7 1 1 A 77 77 ARG C C 77 173.455 174.568 -1.113 1
1 937 . 7 1 1 A 77 77 ARG CA C 77 54.218 55.091 -0.873 1
1 938 . 7 1 1 A 77 77 ARG CB C 77 32.439 30.192 2.247 1
1 941 . 7 1 1 A 77 77 ARG N N 77 121.379 119.012 2.367 1
1 943 . 7 1 1 A 78 78 PHE H H 78 9.258 9.204 0.054 1
1 944 . 7 1 1 A 78 78 PHE HA H 78 5.438 5.168 0.270 1
1 952 . 7 1 1 A 78 78 PHE C C 78 175.873 174.512 1.361 1
1 953 . 7 1 1 A 78 78 PHE CA C 78 55.173 56.822 -1.649 1
1 954 . 7 1 1 A 78 78 PHE CB C 78 44.530 39.761 4.769 1
1 960 . 7 1 1 A 78 78 PHE N N 78 128.097 126.410 1.687 1
1 961 . 7 1 1 A 79 79 ARG H H 79 9.242 8.889 0.353 1
1 962 . 7 1 1 A 79 79 ARG HA H 79 4.201 4.611 -0.410 1
1 969 . 7 1 1 A 79 79 ARG C C 79 175.316 176.433 -1.117 1
1 970 . 7 1 1 A 79 79 ARG CA C 79 55.255 56.587 -1.332 1
1 971 . 7 1 1 A 79 79 ARG CB C 79 29.358 30.424 -1.066 1
1 974 . 7 1 1 A 79 79 ARG N N 79 129.898 130.477 -0.579 1
1 975 . 7 1 1 A 80 80 SER H H 80 9.253 8.738 0.515 1
1 976 . 7 1 1 A 80 80 SER HA H 80 4.772 5.090 -0.318 1
1 979 . 7 1 1 A 80 80 SER C C 80 174.983 175.801 -0.818 1
1 980 . 7 1 1 A 80 80 SER CA C 80 58.191 58.264 -0.073 1
1 981 . 7 1 1 A 80 80 SER CB C 80 64.930 64.530 0.400 1
1 982 . 7 1 1 A 80 80 SER N N 80 128.002 124.082 3.920 1
1 983 . 7 1 1 A 81 81 LYS H H 81 8.065 8.852 -0.787 1
1 984 . 7 1 1 A 81 81 LYS HA H 81 3.675 3.553 0.122 1
1 993 . 7 1 1 A 81 81 LYS C C 81 177.417 177.489 -0.072 1
1 994 . 7 1 1 A 81 81 LYS CA C 81 59.236 58.668 0.568 1
1 995 . 7 1 1 A 81 81 LYS CB C 81 31.641 31.996 -0.355 1
1 999 . 7 1 1 A 81 81 LYS N N 81 123.505 123.698 -0.193 1
1 1000 . 7 1 1 A 82 82 ASN H H 82 7.934 7.832 0.102 1
1 1001 . 7 1 1 A 82 82 ASN HA H 82 4.679 4.774 -0.095 1
1 1006 . 7 1 1 A 82 82 ASN C C 82 173.949 174.225 -0.276 1
1 1007 . 7 1 1 A 82 82 ASN CA C 82 52.764 52.705 0.059 1
1 1008 . 7 1 1 A 82 82 ASN CB C 82 37.428 38.498 -1.070 1
1 1009 . 7 1 1 A 82 82 ASN N N 82 115.202 114.373 0.829 1
1 1011 . 7 1 1 A 83 83 GLN H H 83 8.099 8.193 -0.094 1
1 1012 . 7 1 1 A 83 83 GLN HA H 83 3.382 3.768 -0.386 1
1 1019 . 7 1 1 A 83 83 GLN C C 83 174.208 173.969 0.239 1
1 1020 . 7 1 1 A 83 83 GLN CA C 83 56.400 56.820 -0.420 1
1 1021 . 7 1 1 A 83 83 GLN CB C 83 25.003 26.205 -1.202 1
1 1023 . 7 1 1 A 83 83 GLN N N 83 112.357 115.836 -3.479 1
1 1025 . 7 1 1 A 84 84 GLU H H 84 7.385 7.588 -0.203 1
1 1026 . 7 1 1 A 84 84 GLU HA H 84 4.322 4.697 -0.375 1
1 1031 . 7 1 1 A 84 84 GLU CA C 84 54.720 54.749 -0.029 1
1 1032 . 7 1 1 A 84 84 GLU CB C 84 31.713 32.493 -0.780 1
1 1034 . 7 1 1 A 84 84 GLU N N 84 117.557 116.550 1.007 1
1 1035 . 7 1 1 A 85 85 TRP H H 85 8.645 8.707 -0.062 1
1 1036 . 7 1 1 A 85 85 TRP HA H 85 5.145 4.827 0.318 1
1 1045 . 7 1 1 A 85 85 TRP C C 85 175.772 175.716 0.056 1
1 1046 . 7 1 1 A 85 85 TRP CA C 85 55.591 57.207 -1.616 1
1 1047 . 7 1 1 A 85 85 TRP CB C 85 30.113 28.051 2.062 1
1 1053 . 7 1 1 A 85 85 TRP N N 85 121.388 123.501 -2.113 1
1 1055 . 7 1 1 A 86 86 LEU H H 86 9.348 8.780 0.568 1
1 1056 . 7 1 1 A 86 86 LEU HA H 86 4.847 4.742 0.105 1
1 1066 . 7 1 1 A 86 86 LEU C C 86 176.991 176.419 0.572 1
1 1067 . 7 1 1 A 86 86 LEU CA C 86 53.102 54.523 -1.421 1
1 1068 . 7 1 1 A 86 86 LEU CB C 86 44.527 41.352 3.175 1
1 1071 . 7 1 1 A 86 86 LEU N N 86 126.537 125.957 0.580 1
1 1072 . 7 1 1 A 87 87 TRP H H 87 8.870 8.881 -0.011 1
1 1073 . 7 1 1 A 87 87 TRP HA H 87 4.465 4.945 -0.480 1
1 1082 . 7 1 1 A 87 87 TRP C C 87 175.731 176.933 -1.202 1
1 1083 . 7 1 1 A 87 87 TRP CA C 87 59.207 58.471 0.736 1
1 1084 . 7 1 1 A 87 87 TRP CB C 87 29.736 30.324 -0.588 1
1 1090 . 7 1 1 A 87 87 TRP N N 87 123.902 126.777 -2.875 1
1 1092 . 7 1 1 A 88 88 MET H H 88 9.432 9.117 0.315 1
1 1093 . 7 1 1 A 88 88 MET HA H 88 5.267 5.557 -0.290 1
1 1101 . 7 1 1 A 88 88 MET C C 88 174.713 174.190 0.523 1
1 1102 . 7 1 1 A 88 88 MET CA C 88 52.557 54.332 -1.775 1
1 1103 . 7 1 1 A 88 88 MET CB C 88 36.139 37.358 -1.219 1
1 1106 . 7 1 1 A 88 88 MET N N 88 123.412 121.372 2.040 1
1 1107 . 7 1 1 A 89 89 ARG H H 89 9.282 9.025 0.257 1
1 1108 . 7 1 1 A 89 89 ARG HA H 89 5.702 5.239 0.463 1
1 1115 . 7 1 1 A 89 89 ARG C C 89 177.137 175.799 1.338 1
1 1116 . 7 1 1 A 89 89 ARG CA C 89 54.266 54.804 -0.538 1
1 1117 . 7 1 1 A 89 89 ARG CB C 89 34.404 32.284 2.120 1
1 1120 . 7 1 1 A 89 89 ARG N N 89 119.570 121.270 -1.700 1
1 1121 . 7 1 1 A 90 90 THR H H 90 9.298 9.143 0.155 1
1 1122 . 7 1 1 A 90 90 THR HA H 90 5.625 5.269 0.356 1
1 1127 . 7 1 1 A 90 90 THR C C 90 176.787 174.468 2.319 1
1 1128 . 7 1 1 A 90 90 THR CA C 90 60.327 60.484 -0.157 1
1 1129 . 7 1 1 A 90 90 THR CB C 90 72.187 70.391 1.796 1
1 1131 . 7 1 1 A 90 90 THR N N 90 115.133 117.638 -2.505 1
1 1132 . 7 1 1 A 91 91 SER H H 91 8.194 8.810 -0.616 1
1 1133 . 7 1 1 A 91 91 SER HA H 91 4.860 5.119 -0.259 1
1 1136 . 7 1 1 A 91 91 SER C C 91 175.171 173.318 1.853 1
1 1137 . 7 1 1 A 91 91 SER CA C 91 59.224 57.249 1.975 1
1 1138 . 7 1 1 A 91 91 SER CB C 91 64.094 63.012 1.082 1
1 1139 . 7 1 1 A 91 91 SER N N 91 114.043 121.239 -7.196 1
1 1140 . 7 1 1 A 92 92 SER H H 92 9.864 8.050 1.814 1
1 1141 . 7 1 1 A 92 92 SER HA H 92 6.204 4.864 1.340 1
1 1144 . 7 1 1 A 92 92 SER C C 92 171.748 174.107 -2.359 1
1 1145 . 7 1 1 A 92 92 SER CA C 92 58.818 59.678 -0.860 1
1 1146 . 7 1 1 A 92 92 SER CB C 92 66.419 64.038 2.381 1
1 1147 . 7 1 1 A 92 92 SER N N 92 125.442 121.590 3.852 1
1 1148 . 7 1 1 A 93 93 GLN H H 93 8.873 8.558 0.315 1
1 1149 . 7 1 1 A 93 93 GLN HA H 93 5.048 5.092 -0.044 1
1 1156 . 7 1 1 A 93 93 GLN C C 93 174.145 174.597 -0.452 1
1 1157 . 7 1 1 A 93 93 GLN CA C 93 54.262 54.488 -0.226 1
1 1158 . 7 1 1 A 93 93 GLN CB C 93 33.131 32.132 0.999 1
1 1160 . 7 1 1 A 93 93 GLN N N 93 117.328 122.091 -4.763 1
1 1162 . 7 1 1 A 94 94 THR H H 94 8.846 8.587 0.259 1
1 1163 . 7 1 1 A 94 94 THR HA H 94 3.979 4.598 -0.619 1
1 1168 . 7 1 1 A 94 94 THR C C 94 174.677 174.563 0.114 1
1 1169 . 7 1 1 A 94 94 THR CA C 94 64.467 62.575 1.892 1
1 1170 . 7 1 1 A 94 94 THR CB C 94 68.894 69.166 -0.272 1
1 1172 . 7 1 1 A 94 94 THR N N 94 116.526 113.126 3.400 1
1 1173 . 7 1 1 A 95 95 ALA H H 95 8.188 8.665 -0.477 1
1 1174 . 7 1 1 A 95 95 ALA HA H 95 4.161 4.343 -0.182 1
1 1178 . 7 1 1 A 95 95 ALA C C 95 176.285 178.002 -1.717 1
1 1179 . 7 1 1 A 95 95 ALA CA C 95 51.847 52.390 -0.543 1
1 1180 . 7 1 1 A 95 95 ALA CB C 95 18.999 20.332 -1.333 1
1 1181 . 7 1 1 A 95 95 ALA N N 95 126.311 128.429 -2.118 1
1 1182 . 7 1 1 A 96 96 GLN H H 96 8.324 8.655 -0.331 1
1 1183 . 7 1 1 A 96 96 GLN HA H 96 4.175 4.184 -0.009 1
1 1190 . 7 1 1 A 96 96 GLN C C 96 176.230 175.694 0.536 1
1 1191 . 7 1 1 A 96 96 GLN CA C 96 54.621 57.773 -3.152 1
1 1192 . 7 1 1 A 96 96 GLN CB C 96 30.003 28.919 1.084 1
1 1194 . 7 1 1 A 96 96 GLN N N 96 116.920 119.343 -2.423 1
1 1196 . 7 1 1 A 97 97 ASN H H 97 8.512 7.438 1.074 1
1 1197 . 7 1 1 A 97 97 ASN HA H 97 4.436 4.733 -0.297 1
1 1200 . 7 1 1 A 97 97 ASN CA C 97 52.928 50.582 2.346 1
1 1201 . 7 1 1 A 97 97 ASN CB C 97 37.851 41.528 -3.677 1
1 1202 . 7 1 1 A 97 97 ASN N N 97 119.656 113.637 6.019 1
1 1203 . 7 1 1 A 98 98 PRO HA H 98 4.566 4.300 0.266 1
1 1210 . 7 1 1 A 98 98 PRO C C 98 175.164 175.987 -0.823 1
1 1211 . 7 1 1 A 98 98 PRO CA C 98 63.824 63.568 0.256 1
1 1212 . 7 1 1 A 98 98 PRO CB C 98 32.473 32.302 0.171 1
1 1215 . 7 1 1 A 99 99 TYR H H 99 8.780 6.990 1.790 1
1 1216 . 7 1 1 A 99 99 TYR HA H 99 4.996 4.676 0.320 1
1 1223 . 7 1 1 A 99 99 TYR C C 99 176.421 176.132 0.289 1
1 1224 . 7 1 1 A 99 99 TYR CA C 99 55.837 57.442 -1.605 1
1 1225 . 7 1 1 A 99 99 TYR CB C 99 37.199 37.648 -0.449 1
1 1230 . 7 1 1 A 99 99 TYR N N 99 127.975 118.876 9.099 1
1 1231 . 7 1 1 A 100 100 SER H H 100 7.655 8.031 -0.376 1
1 1232 . 7 1 1 A 100 100 SER HA H 100 4.274 4.460 -0.186 1
1 1235 . 7 1 1 A 100 100 SER C C 100 174.144 176.070 -1.926 1
1 1236 . 7 1 1 A 100 100 SER CA C 100 60.567 61.258 -0.691 1
1 1237 . 7 1 1 A 100 100 SER CB C 100 63.266 63.007 0.259 1
1 1238 . 7 1 1 A 100 100 SER N N 100 113.164 117.236 -4.072 1
1 1239 . 7 1 1 A 101 101 ASP H H 101 8.736 8.061 0.675 1
1 1240 . 7 1 1 A 101 101 ASP HA H 101 4.688 4.643 0.045 1
1 1243 . 7 1 1 A 101 101 ASP C C 101 175.535 176.519 -0.984 1
1 1244 . 7 1 1 A 101 101 ASP CA C 101 54.103 55.840 -1.737 1
1 1245 . 7 1 1 A 101 101 ASP CB C 101 40.098 40.550 -0.452 1
1 1246 . 7 1 1 A 101 101 ASP N N 101 118.476 119.512 -1.036 1
1 1247 . 7 1 1 A 102 102 GLU H H 102 8.127 8.410 -0.283 1
1 1248 . 7 1 1 A 102 102 GLU HA H 102 4.448 4.731 -0.283 1
1 1253 . 7 1 1 A 102 102 GLU CA C 102 54.963 55.380 -0.417 1
1 1254 . 7 1 1 A 102 102 GLU CB C 102 31.769 31.750 0.019 1
1 1256 . 7 1 1 A 102 102 GLU N N 102 119.744 117.875 1.869 1
1 1257 . 7 1 1 A 103 103 ILE H H 103 8.645 8.623 0.022 1
1 1258 . 7 1 1 A 103 103 ILE HA H 103 4.001 4.726 -0.725 1
1 1268 . 7 1 1 A 103 103 ILE C C 103 174.065 174.403 -0.338 1
1 1269 . 7 1 1 A 103 103 ILE CA C 103 60.418 60.848 -0.430 1
1 1270 . 7 1 1 A 103 103 ILE CB C 103 40.781 40.193 0.588 1
1 1274 . 7 1 1 A 103 103 ILE N N 103 121.388 120.773 0.615 1
1 1275 . 7 1 1 A 104 104 GLU H H 104 8.957 9.021 -0.064 1
1 1276 . 7 1 1 A 104 104 GLU HA H 104 5.099 4.535 0.564 1
1 1281 . 7 1 1 A 104 104 GLU C C 104 175.093 175.313 -0.220 1
1 1282 . 7 1 1 A 104 104 GLU CA C 104 54.898 56.147 -1.249 1
1 1283 . 7 1 1 A 104 104 GLU CB C 104 32.330 30.108 2.222 1
1 1285 . 7 1 1 A 104 104 GLU N N 104 125.935 128.384 -2.449 1
1 1286 . 7 1 1 A 105 105 THR H H 105 8.774 8.794 -0.020 1
1 1287 . 7 1 1 A 105 105 THR HA H 105 5.226 5.231 -0.005 1
1 1292 . 7 1 1 A 105 105 THR C C 105 174.876 173.571 1.305 1
1 1293 . 7 1 1 A 105 105 THR CA C 105 61.469 62.212 -0.743 1
1 1294 . 7 1 1 A 105 105 THR CB C 105 70.382 70.464 -0.082 1
1 1296 . 7 1 1 A 105 105 THR N N 105 127.200 121.553 5.647 1
1 1297 . 7 1 1 A 106 106 ILE H H 106 9.186 9.065 0.121 1
1 1298 . 7 1 1 A 106 106 ILE HA H 106 4.486 4.573 -0.087 1
1 1308 . 7 1 1 A 106 106 ILE C C 106 175.412 175.021 0.391 1
1 1309 . 7 1 1 A 106 106 ILE CA C 106 61.423 60.486 0.937 1
1 1310 . 7 1 1 A 106 106 ILE CB C 106 38.432 37.781 0.651 1
1 1313 . 7 1 1 A 106 106 ILE N N 106 107.991 128.223 -20.232 1
1 1314 . 7 1 1 A 107 107 ILE H H 107 8.431 8.332 0.099 1
1 1315 . 7 1 1 A 107 107 ILE HA H 107 4.239 4.441 -0.202 1
1 1325 . 7 1 1 A 107 107 ILE C C 107 173.805 174.674 -0.869 1
1 1326 . 7 1 1 A 107 107 ILE CA C 107 61.459 60.718 0.741 1
1 1327 . 7 1 1 A 107 107 ILE CB C 107 37.499 37.055 0.444 1
1 1331 . 7 1 1 A 107 107 ILE N N 107 129.202 128.178 1.024 1
1 1332 . 7 1 1 A 108 108 CYS H H 108 8.581 9.172 -0.591 1
1 1333 . 7 1 1 A 108 108 CYS HA H 108 5.298 5.211 0.087 1
1 1336 . 7 1 1 A 108 108 CYS C C 108 174.235 173.977 0.258 1
1 1337 . 7 1 1 A 108 108 CYS CA C 108 55.861 56.974 -1.113 1
1 1338 . 7 1 1 A 108 108 CYS CB C 108 31.110 30.537 0.573 1
1 1339 . 7 1 1 A 108 108 CYS N N 108 124.561 128.255 -3.694 1
1 1340 . 7 1 1 A 109 109 THR H H 109 8.701 8.838 -0.137 1
1 1341 . 7 1 1 A 109 109 THR HA H 109 4.733 4.506 0.227 1
1 1346 . 7 1 1 A 109 109 THR C C 109 174.927 174.032 0.895 1
1 1347 . 7 1 1 A 109 109 THR CA C 109 63.466 62.404 1.062 1
1 1348 . 7 1 1 A 109 109 THR CB C 109 69.636 69.700 -0.064 1
1 1350 . 7 1 1 A 109 109 THR N N 109 119.017 118.325 0.692 1
1 1351 . 7 1 1 A 110 110 ASN H H 110 8.527 8.847 -0.320 1
1 1352 . 7 1 1 A 110 110 ASN HA H 110 4.891 5.216 -0.325 1
1 1357 . 7 1 1 A 110 110 ASN C C 110 174.829 173.787 1.042 1
1 1358 . 7 1 1 A 110 110 ASN CA C 110 53.104 52.705 0.399 1
1 1359 . 7 1 1 A 110 110 ASN CB C 110 39.813 39.559 0.254 1
1 1360 . 7 1 1 A 110 110 ASN N N 110 122.861 122.466 0.395 1
1 1362 . 7 1 1 A 111 111 THR H H 111 8.159 8.651 -0.492 1
1 1363 . 7 1 1 A 111 111 THR HA H 111 4.407 4.706 -0.299 1
1 1368 . 7 1 1 A 111 111 THR C C 111 174.189 174.180 0.009 1
1 1369 . 7 1 1 A 111 111 THR CA C 111 61.900 60.349 1.551 1
1 1370 . 7 1 1 A 111 111 THR CB C 111 69.400 71.723 -2.323 1
1 1372 . 7 1 1 A 111 111 THR N N 111 114.879 115.391 -0.512 1
1 1373 . 7 1 1 A 112 112 ASN H H 112 8.359 9.006 -0.647 1
1 1374 . 7 1 1 A 112 112 ASN N N 112 121.000 118.467 2.533 1
1 1375 . 7 1 1 A 117 117 SER C C 117 174.242 173.512 0.730 1
1 1376 . 7 1 1 A 117 117 SER CA C 117 58.557 60.466 -1.909 1
1 1377 . 7 1 1 A 117 117 SER CB C 117 63.729 61.847 1.882 1
1 1378 . 7 1 1 A 118 118 GLN H H 118 8.304 8.292 0.012 1
1 1379 . 7 1 1 A 118 118 GLN C C 118 174.889 175.126 -0.237 1
1 1380 . 7 1 1 A 118 118 GLN CA C 118 55.764 58.012 -2.248 1
1 1381 . 7 1 1 A 118 118 GLN CB C 118 29.659 27.617 2.042 1
1 1382 . 7 1 1 A 118 118 GLN N N 118 122.171 118.894 3.277 1
1 1 . 8 1 1 A 2 2 ALA HA H 2 4.298 4.464 -0.166 1
1 5 . 8 1 1 A 2 2 ALA CA C 2 53.448 53.442 0.006 1
1 6 . 8 1 1 A 2 2 ALA CB C 2 19.236 21.000 -1.764 1
1 7 . 8 1 1 A 3 3 MET H H 3 8.518 8.072 0.446 1
1 12 . 8 1 1 A 3 3 MET N N 3 117.762 114.045 3.717 1
1 13 . 8 1 1 A 4 4 ASP CA C 4 54.632 55.091 -0.459 1
1 14 . 8 1 1 A 4 4 ASP CB C 4 41.102 39.163 1.939 1
1 15 . 8 1 1 A 5 5 ASN H H 5 8.332 7.998 0.334 1
1 18 . 8 1 1 A 5 5 ASN CA C 5 53.361 56.226 -2.865 1
1 19 . 8 1 1 A 5 5 ASN CB C 5 38.775 39.425 -0.650 1
1 20 . 8 1 1 A 5 5 ASN N N 5 118.200 117.769 0.431 1
1 22 . 8 1 1 A 6 6 VAL H H 6 7.939 7.625 0.314 1
1 23 . 8 1 1 A 6 6 VAL HA H 6 4.142 4.650 -0.508 1
1 31 . 8 1 1 A 6 6 VAL CA C 6 62.634 58.837 3.797 1
1 32 . 8 1 1 A 6 6 VAL CB C 6 32.598 34.683 -2.085 1
1 35 . 8 1 1 A 6 6 VAL N N 6 120.396 114.806 5.590 1
1 36 . 8 1 1 A 7 7 CYS H H 7 8.304 8.809 -0.505 1
1 37 . 8 1 1 A 7 7 CYS CA C 7 56.095 61.760 -5.665 1
1 38 . 8 1 1 A 7 7 CYS CB C 7 32.967 27.441 5.526 1
1 39 . 8 1 1 A 7 7 CYS N N 7 124.774 120.652 4.122 1
1 40 . 8 1 1 A 9 9 PRO HA H 9 4.547 4.774 -0.227 1
1 46 . 8 1 1 A 9 9 PRO C C 9 176.493 175.725 0.768 1
1 47 . 8 1 1 A 9 9 PRO CA C 9 63.142 62.429 0.713 1
1 48 . 8 1 1 A 9 9 PRO CB C 9 32.554 33.282 -0.728 1
1 51 . 8 1 1 A 10 10 THR H H 10 8.368 8.739 -0.371 1
1 52 . 8 1 1 A 10 10 THR HA H 10 4.418 4.440 -0.022 1
1 57 . 8 1 1 A 10 10 THR C C 10 172.743 173.627 -0.884 1
1 58 . 8 1 1 A 10 10 THR CA C 10 61.197 62.930 -1.733 1
1 59 . 8 1 1 A 10 10 THR CB C 10 69.660 71.372 -1.712 1
1 61 . 8 1 1 A 10 10 THR N N 10 112.513 113.611 -1.098 1
1 62 . 8 1 1 A 11 11 GLU H H 11 7.813 7.927 -0.114 1
1 63 . 8 1 1 A 11 11 GLU HA H 11 5.549 5.128 0.421 1
1 68 . 8 1 1 A 11 11 GLU C C 11 173.062 174.078 -1.016 1
1 69 . 8 1 1 A 11 11 GLU CA C 11 53.855 55.516 -1.661 1
1 70 . 8 1 1 A 11 11 GLU CB C 11 33.820 32.798 1.022 1
1 72 . 8 1 1 A 11 11 GLU N N 11 119.491 116.368 3.123 1
1 73 . 8 1 1 A 12 12 PHE H H 12 8.198 8.815 -0.617 1
1 74 . 8 1 1 A 12 12 PHE HA H 12 5.014 5.853 -0.839 1
1 82 . 8 1 1 A 12 12 PHE C C 12 171.976 173.589 -1.613 1
1 83 . 8 1 1 A 12 12 PHE CA C 12 55.597 55.320 0.277 1
1 84 . 8 1 1 A 12 12 PHE CB C 12 42.384 42.121 0.263 1
1 90 . 8 1 1 A 12 12 PHE N N 12 111.146 117.394 -6.248 1
1 91 . 8 1 1 A 13 13 ILE H H 13 8.655 8.941 -0.286 1
1 92 . 8 1 1 A 13 13 ILE HA H 13 4.165 4.420 -0.255 1
1 102 . 8 1 1 A 13 13 ILE C C 13 173.432 175.018 -1.586 1
1 103 . 8 1 1 A 13 13 ILE CA C 13 62.270 61.936 0.334 1
1 104 . 8 1 1 A 13 13 ILE CB C 13 39.957 36.833 3.124 1
1 108 . 8 1 1 A 13 13 ILE N N 13 121.427 124.655 -3.228 1
1 109 . 8 1 1 A 14 14 SER H H 14 8.034 9.022 -0.988 1
1 110 . 8 1 1 A 14 14 SER HA H 14 5.588 5.159 0.429 1
1 113 . 8 1 1 A 14 14 SER C C 14 173.429 173.636 -0.207 1
1 114 . 8 1 1 A 14 14 SER CA C 14 56.650 56.518 0.132 1
1 115 . 8 1 1 A 14 14 SER CB C 14 70.177 64.971 5.206 1
1 116 . 8 1 1 A 14 14 SER N N 14 121.358 123.454 -2.096 1
1 117 . 8 1 1 A 15 15 ARG H H 15 9.545 8.851 0.694 1
1 118 . 8 1 1 A 15 15 ARG HA H 15 5.826 4.795 1.031 1
1 126 . 8 1 1 A 15 15 ARG C C 15 176.042 175.652 0.390 1
1 127 . 8 1 1 A 15 15 ARG CA C 15 55.105 55.596 -0.491 1
1 128 . 8 1 1 A 15 15 ARG CB C 15 35.587 32.474 3.113 1
1 131 . 8 1 1 A 15 15 ARG N N 15 118.317 127.216 -8.899 1
1 133 . 8 1 1 A 16 16 HIS H H 16 8.730 8.229 0.501 1
1 134 . 8 1 1 A 16 16 HIS HA H 16 5.555 5.483 0.072 1
1 141 . 8 1 1 A 16 16 HIS C C 16 174.062 173.069 0.993 1
1 142 . 8 1 1 A 16 16 HIS CA C 16 54.057 54.645 -0.588 1
1 143 . 8 1 1 A 16 16 HIS CB C 16 31.334 31.262 0.072 1
1 146 . 8 1 1 A 16 16 HIS N N 16 117.425 116.797 0.628 1
1 148 . 8 1 1 A 17 17 ASN H H 17 8.201 8.649 -0.448 1
1 149 . 8 1 1 A 17 17 ASN HA H 17 4.897 5.149 -0.252 1
1 154 . 8 1 1 A 17 17 ASN C C 17 178.263 175.654 2.609 1
1 155 . 8 1 1 A 17 17 ASN CA C 17 51.104 51.497 -0.393 1
1 156 . 8 1 1 A 17 17 ASN CB C 17 38.469 39.144 -0.675 1
1 157 . 8 1 1 A 17 17 ASN N N 17 116.276 117.894 -1.618 1
1 159 . 8 1 1 A 18 18 ILE H H 18 8.774 8.809 -0.035 1
1 160 . 8 1 1 A 18 18 ILE HA H 18 3.795 3.909 -0.114 1
1 170 . 8 1 1 A 18 18 ILE C C 18 174.851 177.816 -2.965 1
1 171 . 8 1 1 A 18 18 ILE CA C 18 64.399 64.088 0.311 1
1 172 . 8 1 1 A 18 18 ILE CB C 18 38.072 37.869 0.203 1
1 176 . 8 1 1 A 18 18 ILE N N 18 120.001 120.206 -0.205 1
1 177 . 8 1 1 A 19 19 GLU H H 19 7.213 7.848 -0.635 1
1 178 . 8 1 1 A 19 19 GLU HA H 19 4.225 4.115 0.110 1
1 183 . 8 1 1 A 19 19 GLU CA C 19 57.145 56.815 0.330 1
1 184 . 8 1 1 A 19 19 GLU CB C 19 29.878 29.791 0.087 1
1 186 . 8 1 1 A 19 19 GLU N N 19 116.538 119.915 -3.377 1
1 187 . 8 1 1 A 20 20 GLY H H 20 7.845 7.829 0.016 1
1 188 . 8 1 1 A 20 20 GLY HA2 H 20 4.878 2.788 2.090 1
1 189 . 8 1 1 A 20 20 GLY HA3 H 20 2.886 3.630 -0.744 1
1 190 . 8 1 1 A 20 20 GLY C C 20 172.992 174.076 -1.084 1
1 191 . 8 1 1 A 20 20 GLY CA C 20 44.049 44.284 -0.235 1
1 192 . 8 1 1 A 20 20 GLY N N 20 104.883 106.144 -1.261 1
1 193 . 8 1 1 A 21 21 ILE H H 21 7.841 7.574 0.267 1
1 194 . 8 1 1 A 21 21 ILE HA H 21 3.995 4.097 -0.102 1
1 204 . 8 1 1 A 21 21 ILE C C 21 176.915 175.379 1.536 1
1 205 . 8 1 1 A 21 21 ILE CA C 21 60.302 61.667 -1.365 1
1 206 . 8 1 1 A 21 21 ILE CB C 21 36.111 38.002 -1.891 1
1 210 . 8 1 1 A 21 21 ILE N N 21 120.855 122.635 -1.780 1
1 211 . 8 1 1 A 22 22 PHE H H 22 8.896 8.596 0.300 1
1 212 . 8 1 1 A 22 22 PHE HA H 22 5.052 5.006 0.046 1
1 220 . 8 1 1 A 22 22 PHE C C 22 177.971 176.254 1.717 1
1 221 . 8 1 1 A 22 22 PHE CA C 22 59.625 59.054 0.571 1
1 222 . 8 1 1 A 22 22 PHE CB C 22 39.984 39.152 0.832 1
1 228 . 8 1 1 A 22 22 PHE N N 22 125.849 128.464 -2.615 1
1 229 . 8 1 1 A 23 23 THR H H 23 9.771 8.935 0.836 1
1 230 . 8 1 1 A 23 23 THR HA H 23 4.403 4.505 -0.102 1
1 235 . 8 1 1 A 23 23 THR C C 23 175.589 174.557 1.032 1
1 236 . 8 1 1 A 23 23 THR CA C 23 61.611 62.261 -0.650 1
1 237 . 8 1 1 A 23 23 THR CB C 23 69.193 69.242 -0.049 1
1 239 . 8 1 1 A 23 23 THR N N 23 117.677 115.240 2.437 1
1 240 . 8 1 1 A 24 24 PHE H H 24 7.948 7.417 0.531 1
1 241 . 8 1 1 A 24 24 PHE HA H 24 4.483 4.771 -0.288 1
1 249 . 8 1 1 A 24 24 PHE C C 24 173.376 173.309 0.067 1
1 250 . 8 1 1 A 24 24 PHE CA C 24 59.142 58.273 0.869 1
1 251 . 8 1 1 A 24 24 PHE CB C 24 42.161 42.382 -0.221 1
1 257 . 8 1 1 A 24 24 PHE N N 24 123.378 121.200 2.178 1
1 258 . 8 1 1 A 25 25 VAL H H 25 7.340 7.371 -0.031 1
1 259 . 8 1 1 A 25 25 VAL HA H 25 4.166 4.334 -0.168 1
1 267 . 8 1 1 A 25 25 VAL C C 25 173.103 173.582 -0.479 1
1 268 . 8 1 1 A 25 25 VAL CA C 25 61.539 60.399 1.140 1
1 269 . 8 1 1 A 25 25 VAL CB C 25 35.683 35.071 0.612 1
1 272 . 8 1 1 A 25 25 VAL N N 25 124.777 123.383 1.394 1
1 273 . 8 1 1 A 26 26 ASP H H 26 7.942 8.419 -0.477 1
1 274 . 8 1 1 A 26 26 ASP HA H 26 4.466 4.611 -0.145 1
1 277 . 8 1 1 A 26 26 ASP C C 26 175.258 177.283 -2.025 1
1 278 . 8 1 1 A 26 26 ASP CA C 26 53.318 54.397 -1.079 1
1 279 . 8 1 1 A 26 26 ASP CB C 26 42.461 42.138 0.323 1
1 280 . 8 1 1 A 26 26 ASP N N 26 125.573 126.502 -0.929 1
1 281 . 8 1 1 A 27 27 HIS H H 27 8.115 8.963 -0.848 1
1 282 . 8 1 1 A 27 27 HIS HA H 27 4.222 4.101 0.121 1
1 286 . 8 1 1 A 27 27 HIS C C 27 177.268 176.489 0.779 1
1 287 . 8 1 1 A 27 27 HIS CA C 27 59.164 58.729 0.435 1
1 288 . 8 1 1 A 27 27 HIS CB C 27 30.374 29.258 1.116 1
1 290 . 8 1 1 A 27 27 HIS N N 27 117.576 123.748 -6.172 1
1 291 . 8 1 1 A 28 28 ARG H H 28 8.724 8.139 0.585 1
1 292 . 8 1 1 A 28 28 ARG HA H 28 4.210 3.723 0.487 1
1 300 . 8 1 1 A 28 28 ARG C C 28 177.838 179.105 -1.267 1
1 301 . 8 1 1 A 28 28 ARG CA C 28 58.199 59.317 -1.118 1
1 302 . 8 1 1 A 28 28 ARG CB C 28 29.815 29.466 0.349 1
1 305 . 8 1 1 A 28 28 ARG N N 28 122.414 120.614 1.800 1
1 307 . 8 1 1 A 29 29 CYS H H 29 8.102 8.287 -0.185 1
1 308 . 8 1 1 A 29 29 CYS HA H 29 3.124 3.123 0.001 1
1 311 . 8 1 1 A 29 29 CYS C C 29 175.551 177.032 -1.481 1
1 312 . 8 1 1 A 29 29 CYS CA C 29 59.988 60.937 -0.949 1
1 313 . 8 1 1 A 29 29 CYS CB C 29 25.101 26.107 -1.006 1
1 314 . 8 1 1 A 29 29 CYS N N 29 119.987 117.445 2.542 1
1 315 . 8 1 1 A 30 30 VAL H H 30 7.139 7.109 0.030 1
1 316 . 8 1 1 A 30 30 VAL HA H 30 3.373 3.632 -0.259 1
1 324 . 8 1 1 A 30 30 VAL C C 30 178.225 178.004 0.221 1
1 325 . 8 1 1 A 30 30 VAL CA C 30 65.903 64.542 1.361 1
1 326 . 8 1 1 A 30 30 VAL CB C 30 31.446 31.527 -0.081 1
1 329 . 8 1 1 A 30 30 VAL N N 30 125.016 119.292 5.724 1
1 330 . 8 1 1 A 31 31 ALA H H 31 7.393 7.777 -0.384 1
1 331 . 8 1 1 A 31 31 ALA HA H 31 4.126 4.078 0.048 1
1 335 . 8 1 1 A 31 31 ALA C C 31 178.111 179.720 -1.609 1
1 336 . 8 1 1 A 31 31 ALA CA C 31 53.715 54.369 -0.654 1
1 337 . 8 1 1 A 31 31 ALA CB C 31 19.223 18.405 0.818 1
1 338 . 8 1 1 A 31 31 ALA N N 31 120.554 124.020 -3.466 1
1 339 . 8 1 1 A 32 32 THR H H 32 7.253 7.696 -0.443 1
1 340 . 8 1 1 A 32 32 THR HA H 32 4.116 4.067 0.049 1
1 345 . 8 1 1 A 32 32 THR C C 32 175.655 176.050 -0.395 1
1 346 . 8 1 1 A 32 32 THR CA C 32 64.727 65.367 -0.640 1
1 347 . 8 1 1 A 32 32 THR CB C 32 69.144 69.366 -0.222 1
1 349 . 8 1 1 A 32 32 THR N N 32 109.150 113.438 -4.288 1
1 350 . 8 1 1 A 33 33 VAL H H 33 7.939 7.711 0.228 1
1 351 . 8 1 1 A 33 33 VAL HA H 33 4.504 4.310 0.194 1
1 359 . 8 1 1 A 33 33 VAL C C 33 175.594 176.347 -0.753 1
1 360 . 8 1 1 A 33 33 VAL CA C 33 60.596 60.486 0.110 1
1 361 . 8 1 1 A 33 33 VAL CB C 33 34.900 31.427 3.473 1
1 364 . 8 1 1 A 33 33 VAL N N 33 108.519 113.175 -4.656 1
1 365 . 8 1 1 A 34 34 GLY H H 34 7.439 7.824 -0.385 1
1 366 . 8 1 1 A 34 34 GLY HA2 H 34 4.099 3.669 0.430 1
1 367 . 8 1 1 A 34 34 GLY HA3 H 34 3.846 3.783 0.063 1
1 368 . 8 1 1 A 34 34 GLY C C 34 173.655 173.596 0.059 1
1 369 . 8 1 1 A 34 34 GLY CA C 34 46.538 45.333 1.205 1
1 370 . 8 1 1 A 34 34 GLY N N 34 109.672 109.972 -0.300 1
1 371 . 8 1 1 A 35 35 TYR H H 35 6.215 7.418 -1.203 1
1 372 . 8 1 1 A 35 35 TYR HA H 35 4.415 4.859 -0.444 1
1 379 . 8 1 1 A 35 35 TYR C C 35 174.492 175.353 -0.861 1
1 380 . 8 1 1 A 35 35 TYR CA C 35 57.289 58.883 -1.594 1
1 381 . 8 1 1 A 35 35 TYR CB C 35 40.784 38.224 2.560 1
1 386 . 8 1 1 A 35 35 TYR N N 35 117.067 119.963 -2.896 1
1 387 . 8 1 1 A 36 36 GLN H H 36 9.145 8.524 0.621 1
1 388 . 8 1 1 A 36 36 GLN HA H 36 4.285 4.253 0.032 1
1 393 . 8 1 1 A 36 36 GLN CA C 36 53.760 54.610 -0.850 1
1 394 . 8 1 1 A 36 36 GLN CB C 36 27.558 28.359 -0.801 1
1 396 . 8 1 1 A 36 36 GLN N N 36 117.664 124.200 -6.536 1
1 397 . 8 1 1 A 37 37 PRO HA H 37 3.755 4.048 -0.293 1
1 404 . 8 1 1 A 37 37 PRO C C 37 178.629 178.246 0.383 1
1 405 . 8 1 1 A 37 37 PRO CA C 37 66.415 65.737 0.678 1
1 406 . 8 1 1 A 37 37 PRO CB C 37 31.313 31.677 -0.364 1
1 409 . 8 1 1 A 38 38 GLN H H 38 8.870 8.831 0.039 1
1 410 . 8 1 1 A 38 38 GLN HA H 38 3.996 4.085 -0.089 1
1 415 . 8 1 1 A 38 38 GLN C C 38 177.121 177.432 -0.311 1
1 416 . 8 1 1 A 38 38 GLN CA C 38 58.468 58.475 -0.007 1
1 417 . 8 1 1 A 38 38 GLN CB C 38 27.259 27.640 -0.381 1
1 419 . 8 1 1 A 38 38 GLN N N 38 113.031 115.415 -2.384 1
1 420 . 8 1 1 A 39 39 GLU H H 39 7.799 7.812 -0.013 1
1 421 . 8 1 1 A 39 39 GLU HA H 39 4.203 4.266 -0.063 1
1 426 . 8 1 1 A 39 39 GLU C C 39 175.485 177.319 -1.834 1
1 427 . 8 1 1 A 39 39 GLU CA C 39 57.598 58.361 -0.763 1
1 428 . 8 1 1 A 39 39 GLU CB C 39 30.955 29.619 1.336 1
1 430 . 8 1 1 A 39 39 GLU N N 39 117.366 119.510 -2.144 1
1 431 . 8 1 1 A 40 40 LEU H H 40 7.001 7.356 -0.355 1
1 432 . 8 1 1 A 40 40 LEU HA H 40 4.205 4.523 -0.318 1
1 442 . 8 1 1 A 40 40 LEU C C 40 176.417 177.333 -0.916 1
1 443 . 8 1 1 A 40 40 LEU CA C 40 55.345 55.731 -0.386 1
1 444 . 8 1 1 A 40 40 LEU CB C 40 43.190 43.507 -0.317 1
1 448 . 8 1 1 A 40 40 LEU N N 40 116.615 118.389 -1.774 1
1 449 . 8 1 1 A 41 41 LEU H H 41 7.521 7.947 -0.426 1
1 450 . 8 1 1 A 41 41 LEU HA H 41 3.678 4.288 -0.610 1
1 460 . 8 1 1 A 41 41 LEU C C 41 177.754 177.964 -0.210 1
1 461 . 8 1 1 A 41 41 LEU CA C 41 57.050 57.249 -0.199 1
1 462 . 8 1 1 A 41 41 LEU CB C 41 42.155 41.653 0.502 1
1 466 . 8 1 1 A 41 41 LEU N N 41 117.814 121.185 -3.371 1
1 467 . 8 1 1 A 42 42 GLY H H 42 8.535 9.291 -0.756 1
1 468 . 8 1 1 A 42 42 GLY HA2 H 42 4.328 4.016 0.312 1
1 469 . 8 1 1 A 42 42 GLY HA3 H 42 3.601 4.016 -0.415 1
1 470 . 8 1 1 A 42 42 GLY C C 42 173.808 173.774 0.034 1
1 471 . 8 1 1 A 42 42 GLY CA C 42 45.689 45.293 0.396 1
1 472 . 8 1 1 A 42 42 GLY N N 42 110.496 111.911 -1.415 1
1 473 . 8 1 1 A 43 43 LYS H H 43 8.398 8.118 0.280 1
1 474 . 8 1 1 A 43 43 LYS HA H 43 4.680 4.601 0.079 1
1 483 . 8 1 1 A 43 43 LYS C C 43 173.943 175.495 -1.552 1
1 484 . 8 1 1 A 43 43 LYS CA C 43 54.361 54.644 -0.283 1
1 485 . 8 1 1 A 43 43 LYS CB C 43 33.960 34.181 -0.221 1
1 489 . 8 1 1 A 43 43 LYS N N 43 120.461 120.650 -0.189 1
1 490 . 8 1 1 A 44 44 ASN H H 44 8.892 8.147 0.745 1
1 491 . 8 1 1 A 44 44 ASN HA H 44 4.690 4.604 0.086 1
1 496 . 8 1 1 A 44 44 ASN C C 44 176.922 175.653 1.269 1
1 497 . 8 1 1 A 44 44 ASN CA C 44 52.256 53.179 -0.923 1
1 498 . 8 1 1 A 44 44 ASN CB C 44 40.451 39.599 0.852 1
1 499 . 8 1 1 A 44 44 ASN N N 44 119.869 121.789 -1.920 1
1 501 . 8 1 1 A 45 45 ILE H H 45 8.543 8.267 0.276 1
1 502 . 8 1 1 A 45 45 ILE HA H 45 3.887 3.648 0.239 1
1 511 . 8 1 1 A 45 45 ILE C C 45 176.137 177.017 -0.880 1
1 512 . 8 1 1 A 45 45 ILE CA C 45 65.116 64.115 1.001 1
1 513 . 8 1 1 A 45 45 ILE CB C 45 36.637 37.461 -0.824 1
1 517 . 8 1 1 A 45 45 ILE N N 45 129.131 127.288 1.843 1
1 518 . 8 1 1 A 46 46 VAL H H 46 9.059 7.324 1.735 1
1 519 . 8 1 1 A 46 46 VAL HA H 46 3.439 3.729 -0.290 1
1 527 . 8 1 1 A 46 46 VAL C C 46 178.407 178.154 0.253 1
1 528 . 8 1 1 A 46 46 VAL CA C 46 65.705 65.363 0.342 1
1 529 . 8 1 1 A 46 46 VAL CB C 46 31.022 31.169 -0.147 1
1 532 . 8 1 1 A 46 46 VAL N N 46 118.981 117.591 1.390 1
1 533 . 8 1 1 A 47 47 GLU H H 47 7.923 8.388 -0.465 1
1 534 . 8 1 1 A 47 47 GLU HA H 47 3.989 3.916 0.073 1
1 539 . 8 1 1 A 47 47 GLU C C 47 177.664 178.321 -0.657 1
1 540 . 8 1 1 A 47 47 GLU CA C 47 57.999 59.026 -1.027 1
1 541 . 8 1 1 A 47 47 GLU CB C 47 28.849 28.931 -0.082 1
1 543 . 8 1 1 A 47 47 GLU N N 47 117.733 121.456 -3.723 1
1 544 . 8 1 1 A 48 48 PHE H H 48 7.689 7.452 0.237 1
1 545 . 8 1 1 A 48 48 PHE HA H 48 4.177 4.251 -0.074 1
1 553 . 8 1 1 A 48 48 PHE C C 48 172.739 175.839 -3.100 1
1 554 . 8 1 1 A 48 48 PHE CA C 48 57.725 59.490 -1.765 1
1 555 . 8 1 1 A 48 48 PHE CB C 48 39.428 39.548 -0.120 1
1 561 . 8 1 1 A 48 48 PHE N N 48 117.768 115.172 2.596 1
1 562 . 8 1 1 A 49 49 CYS H H 49 7.413 7.342 0.071 1
1 563 . 8 1 1 A 49 49 CYS HA H 49 5.671 4.996 0.675 1
1 566 . 8 1 1 A 49 49 CYS CA C 49 56.429 60.081 -3.652 1
1 567 . 8 1 1 A 49 49 CYS CB C 49 28.747 28.012 0.735 1
1 568 . 8 1 1 A 49 49 CYS N N 49 119.705 118.165 1.540 1
1 569 . 8 1 1 A 50 50 HIS H H 50 8.640 8.583 0.057 1
1 570 . 8 1 1 A 50 50 HIS HA H 50 3.655 3.953 -0.298 1
1 574 . 8 1 1 A 50 50 HIS CA C 50 56.934 54.809 2.125 1
1 575 . 8 1 1 A 50 50 HIS CB C 50 32.071 30.229 1.842 1
1 577 . 8 1 1 A 50 50 HIS N N 50 134.180 124.908 9.272 1
1 578 . 8 1 1 A 51 51 PRO HA H 51 4.044 4.161 -0.117 1
1 584 . 8 1 1 A 51 51 PRO C C 51 179.121 178.884 0.237 1
1 585 . 8 1 1 A 51 51 PRO CA C 51 65.989 66.158 -0.169 1
1 586 . 8 1 1 A 51 51 PRO CB C 51 32.605 31.658 0.947 1
1 589 . 8 1 1 A 52 52 GLU H H 52 10.986 8.612 2.374 1
1 590 . 8 1 1 A 52 52 GLU HA H 52 4.125 4.116 0.009 1
1 595 . 8 1 1 A 52 52 GLU C C 52 177.643 177.242 0.401 1
1 596 . 8 1 1 A 52 52 GLU CA C 52 58.522 58.960 -0.438 1
1 597 . 8 1 1 A 52 52 GLU CB C 52 29.347 28.887 0.460 1
1 599 . 8 1 1 A 52 52 GLU N N 52 119.351 117.756 1.595 1
1 600 . 8 1 1 A 53 53 ASP H H 53 8.203 8.145 0.058 1
1 601 . 8 1 1 A 53 53 ASP HA H 53 4.898 4.628 0.270 1
1 604 . 8 1 1 A 53 53 ASP C C 53 175.641 177.236 -1.595 1
1 605 . 8 1 1 A 53 53 ASP CA C 53 54.092 54.668 -0.576 1
1 606 . 8 1 1 A 53 53 ASP CB C 53 43.596 41.721 1.875 1
1 607 . 8 1 1 A 53 53 ASP N N 53 117.757 117.875 -0.118 1
1 608 . 8 1 1 A 54 54 GLN H H 54 6.922 7.979 -1.057 1
1 609 . 8 1 1 A 54 54 GLN HA H 54 3.985 3.935 0.050 1
1 616 . 8 1 1 A 54 54 GLN C C 54 177.417 178.714 -1.297 1
1 617 . 8 1 1 A 54 54 GLN CA C 54 60.084 58.979 1.105 1
1 618 . 8 1 1 A 54 54 GLN CB C 54 28.448 28.282 0.166 1
1 620 . 8 1 1 A 54 54 GLN N N 54 118.680 119.488 -0.808 1
1 622 . 8 1 1 A 55 55 GLN H H 55 8.663 7.977 0.686 1
1 623 . 8 1 1 A 55 55 GLN HA H 55 3.778 4.037 -0.259 1
1 630 . 8 1 1 A 55 55 GLN C C 55 177.398 178.174 -0.776 1
1 631 . 8 1 1 A 55 55 GLN CA C 55 58.812 58.496 0.316 1
1 632 . 8 1 1 A 55 55 GLN CB C 55 27.402 28.499 -1.097 1
1 634 . 8 1 1 A 55 55 GLN N N 55 119.173 120.015 -0.842 1
1 636 . 8 1 1 A 56 56 LEU H H 56 7.935 7.660 0.275 1
1 637 . 8 1 1 A 56 56 LEU HA H 56 4.071 4.083 -0.012 1
1 647 . 8 1 1 A 56 56 LEU C C 56 180.037 178.037 2.000 1
1 648 . 8 1 1 A 56 56 LEU CA C 56 57.698 57.376 0.322 1
1 649 . 8 1 1 A 56 56 LEU CB C 56 41.586 42.252 -0.666 1
1 653 . 8 1 1 A 56 56 LEU N N 56 119.661 120.656 -0.995 1
1 654 . 8 1 1 A 57 57 LEU H H 57 7.382 7.966 -0.584 1
1 655 . 8 1 1 A 57 57 LEU HA H 57 3.575 3.647 -0.072 1
1 665 . 8 1 1 A 57 57 LEU C C 57 178.470 178.198 0.272 1
1 666 . 8 1 1 A 57 57 LEU CA C 57 57.703 58.075 -0.372 1
1 667 . 8 1 1 A 57 57 LEU CB C 57 42.077 41.540 0.537 1
1 671 . 8 1 1 A 57 57 LEU N N 57 119.857 119.952 -0.095 1
1 672 . 8 1 1 A 58 58 ARG H H 58 8.118 8.553 -0.435 1
1 673 . 8 1 1 A 58 58 ARG HA H 58 3.338 3.855 -0.517 1
1 680 . 8 1 1 A 58 58 ARG C C 58 179.713 178.673 1.040 1
1 681 . 8 1 1 A 58 58 ARG CA C 58 60.120 59.578 0.542 1
1 682 . 8 1 1 A 58 58 ARG CB C 58 30.320 29.898 0.422 1
1 685 . 8 1 1 A 58 58 ARG N N 58 118.198 117.844 0.354 1
1 686 . 8 1 1 A 59 59 ASP H H 59 8.748 7.973 0.775 1
1 687 . 8 1 1 A 59 59 ASP HA H 59 4.336 4.258 0.078 1
1 690 . 8 1 1 A 59 59 ASP C C 59 179.130 177.702 1.428 1
1 691 . 8 1 1 A 59 59 ASP CA C 59 57.197 57.546 -0.349 1
1 692 . 8 1 1 A 59 59 ASP CB C 59 40.212 41.756 -1.544 1
1 693 . 8 1 1 A 59 59 ASP N N 59 119.165 119.885 -0.720 1
1 694 . 8 1 1 A 60 60 SER H H 60 7.552 7.889 -0.337 1
1 695 . 8 1 1 A 60 60 SER HA H 60 4.116 4.023 0.093 1
1 698 . 8 1 1 A 60 60 SER C C 60 175.883 177.625 -1.742 1
1 699 . 8 1 1 A 60 60 SER CA C 60 61.975 61.319 0.656 1
1 700 . 8 1 1 A 60 60 SER CB C 60 63.098 62.454 0.644 1
1 701 . 8 1 1 A 60 60 SER N N 60 117.761 113.961 3.800 1
1 702 . 8 1 1 A 61 61 PHE H H 61 7.063 7.450 -0.387 1
1 703 . 8 1 1 A 61 61 PHE HA H 61 4.614 4.389 0.225 1
1 711 . 8 1 1 A 61 61 PHE C C 61 177.561 178.402 -0.841 1
1 712 . 8 1 1 A 61 61 PHE CA C 61 56.777 61.873 -5.096 1
1 713 . 8 1 1 A 61 61 PHE CB C 61 36.564 38.335 -1.771 1
1 719 . 8 1 1 A 61 61 PHE N N 61 122.009 119.571 2.438 1
1 720 . 8 1 1 A 62 62 GLN H H 62 7.376 8.386 -1.010 1
1 721 . 8 1 1 A 62 62 GLN HA H 62 4.038 4.026 0.012 1
1 726 . 8 1 1 A 62 62 GLN C C 62 179.093 178.706 0.387 1
1 727 . 8 1 1 A 62 62 GLN CA C 62 58.240 59.244 -1.004 1
1 728 . 8 1 1 A 62 62 GLN CB C 62 28.094 28.315 -0.221 1
1 730 . 8 1 1 A 62 62 GLN N N 62 114.929 118.381 -3.452 1
1 731 . 8 1 1 A 63 63 GLN H H 63 7.893 7.873 0.020 1
1 732 . 8 1 1 A 63 63 GLN HA H 63 4.083 4.202 -0.119 1
1 737 . 8 1 1 A 63 63 GLN C C 63 178.244 178.487 -0.243 1
1 738 . 8 1 1 A 63 63 GLN CA C 63 58.408 58.288 0.120 1
1 739 . 8 1 1 A 63 63 GLN CB C 63 28.755 28.578 0.177 1
1 741 . 8 1 1 A 63 63 GLN N N 63 117.434 120.076 -2.642 1
1 742 . 8 1 1 A 64 64 VAL H H 64 8.220 8.150 0.070 1
1 743 . 8 1 1 A 64 64 VAL HA H 64 3.663 4.149 -0.486 1
1 751 . 8 1 1 A 64 64 VAL C C 64 177.137 178.045 -0.908 1
1 752 . 8 1 1 A 64 64 VAL CA C 64 66.107 65.561 0.546 1
1 753 . 8 1 1 A 64 64 VAL CB C 64 31.475 31.550 -0.075 1
1 756 . 8 1 1 A 64 64 VAL N N 64 118.766 117.308 1.458 1
1 757 . 8 1 1 A 65 65 VAL H H 65 6.860 7.589 -0.729 1
1 758 . 8 1 1 A 65 65 VAL HA H 65 3.833 3.888 -0.055 1
1 766 . 8 1 1 A 65 65 VAL C C 65 177.624 177.976 -0.352 1
1 767 . 8 1 1 A 65 65 VAL CA C 65 64.200 64.810 -0.610 1
1 768 . 8 1 1 A 65 65 VAL CB C 65 31.730 31.801 -0.071 1
1 771 . 8 1 1 A 65 65 VAL N N 65 112.590 122.432 -9.842 1
1 772 . 8 1 1 A 66 66 LYS H H 66 7.431 7.786 -0.355 1
1 773 . 8 1 1 A 66 66 LYS HA H 66 4.184 3.984 0.200 1
1 782 . 8 1 1 A 66 66 LYS C C 66 177.374 178.243 -0.869 1
1 783 . 8 1 1 A 66 66 LYS CA C 66 58.190 59.802 -1.612 1
1 784 . 8 1 1 A 66 66 LYS CB C 66 33.232 32.240 0.992 1
1 788 . 8 1 1 A 66 66 LYS N N 66 119.643 122.194 -2.551 1
1 789 . 8 1 1 A 67 67 LEU H H 67 7.859 8.179 -0.320 1
1 790 . 8 1 1 A 67 67 LEU HA H 67 4.552 4.317 0.235 1
1 800 . 8 1 1 A 67 67 LEU C C 67 175.532 176.042 -0.510 1
1 801 . 8 1 1 A 67 67 LEU CA C 67 53.108 55.267 -2.159 1
1 802 . 8 1 1 A 67 67 LEU CB C 67 40.979 41.736 -0.757 1
1 806 . 8 1 1 A 67 67 LEU N N 67 121.288 118.231 3.057 1
1 807 . 8 1 1 A 68 68 LYS H H 68 7.475 8.171 -0.696 1
1 808 . 8 1 1 A 68 68 LYS HA H 68 4.156 4.219 -0.063 1
1 817 . 8 1 1 A 68 68 LYS C C 68 177.987 175.740 2.247 1
1 818 . 8 1 1 A 68 68 LYS CA C 68 58.388 57.313 1.075 1
1 819 . 8 1 1 A 68 68 LYS CB C 68 32.207 31.677 0.530 1
1 823 . 8 1 1 A 68 68 LYS N N 68 119.626 118.731 0.895 1
1 824 . 8 1 1 A 69 69 GLY H H 69 8.696 8.244 0.452 1
1 825 . 8 1 1 A 69 69 GLY HA2 H 69 4.294 4.049 0.245 1
1 826 . 8 1 1 A 69 69 GLY HA3 H 69 3.896 4.053 -0.157 1
1 827 . 8 1 1 A 69 69 GLY CA C 69 45.335 45.153 0.182 1
1 828 . 8 1 1 A 69 69 GLY N N 69 113.681 110.423 3.258 1
1 829 . 8 1 1 A 70 70 GLN H H 70 8.031 7.950 0.081 1
1 830 . 8 1 1 A 70 70 GLN HA H 70 4.508 4.269 0.239 1
1 835 . 8 1 1 A 70 70 GLN C C 70 174.684 175.096 -0.412 1
1 836 . 8 1 1 A 70 70 GLN CA C 70 55.347 56.467 -1.120 1
1 837 . 8 1 1 A 70 70 GLN CB C 70 30.111 29.397 0.714 1
1 839 . 8 1 1 A 70 70 GLN N N 70 119.949 121.819 -1.870 1
1 840 . 8 1 1 A 71 71 VAL H H 71 8.232 8.409 -0.177 1
1 841 . 8 1 1 A 71 71 VAL HA H 71 4.822 4.665 0.157 1
1 849 . 8 1 1 A 71 71 VAL C C 71 176.406 174.858 1.548 1
1 850 . 8 1 1 A 71 71 VAL CA C 71 61.198 62.384 -1.186 1
1 851 . 8 1 1 A 71 71 VAL CB C 71 32.964 32.810 0.154 1
1 854 . 8 1 1 A 71 71 VAL N N 71 121.816 126.762 -4.946 1
1 855 . 8 1 1 A 72 72 LEU H H 72 9.052 9.316 -0.264 1
1 856 . 8 1 1 A 72 72 LEU HA H 72 4.827 5.203 -0.376 1
1 865 . 8 1 1 A 72 72 LEU C C 72 175.411 175.673 -0.262 1
1 866 . 8 1 1 A 72 72 LEU CA C 72 52.895 53.293 -0.398 1
1 867 . 8 1 1 A 72 72 LEU CB C 72 44.755 45.325 -0.570 1
1 870 . 8 1 1 A 72 72 LEU N N 72 130.331 129.747 0.584 1
1 871 . 8 1 1 A 73 73 SER H H 73 8.057 9.001 -0.944 1
1 872 . 8 1 1 A 73 73 SER HA H 73 5.211 5.764 -0.553 1
1 875 . 8 1 1 A 73 73 SER C C 73 174.562 173.052 1.510 1
1 876 . 8 1 1 A 73 73 SER CA C 73 56.591 56.706 -0.115 1
1 877 . 8 1 1 A 73 73 SER CB C 73 66.336 64.986 1.350 1
1 878 . 8 1 1 A 73 73 SER N N 73 113.040 118.737 -5.697 1
1 879 . 8 1 1 A 74 74 VAL H H 74 8.799 8.660 0.139 1
1 880 . 8 1 1 A 74 74 VAL HA H 74 4.705 4.972 -0.267 1
1 888 . 8 1 1 A 74 74 VAL C C 74 174.122 174.013 0.109 1
1 889 . 8 1 1 A 74 74 VAL CA C 74 59.403 59.529 -0.126 1
1 890 . 8 1 1 A 74 74 VAL CB C 74 35.474 35.875 -0.401 1
1 893 . 8 1 1 A 74 74 VAL N N 74 122.721 122.165 0.556 1
1 894 . 8 1 1 A 75 75 MET H H 75 8.195 8.799 -0.604 1
1 895 . 8 1 1 A 75 75 MET HA H 75 5.922 6.072 -0.150 1
1 903 . 8 1 1 A 75 75 MET C C 75 175.531 175.698 -0.167 1
1 904 . 8 1 1 A 75 75 MET CA C 75 54.021 53.995 0.026 1
1 905 . 8 1 1 A 75 75 MET CB C 75 34.750 34.007 0.743 1
1 908 . 8 1 1 A 75 75 MET N N 75 120.057 123.689 -3.632 1
1 909 . 8 1 1 A 76 76 PHE H H 76 9.394 9.081 0.313 1
1 910 . 8 1 1 A 76 76 PHE HA H 76 5.004 5.127 -0.123 1
1 918 . 8 1 1 A 76 76 PHE C C 76 171.623 172.426 -0.803 1
1 919 . 8 1 1 A 76 76 PHE CA C 76 55.802 55.444 0.358 1
1 920 . 8 1 1 A 76 76 PHE CB C 76 42.072 41.971 0.101 1
1 926 . 8 1 1 A 76 76 PHE N N 76 120.244 120.177 0.067 1
1 927 . 8 1 1 A 77 77 ARG H H 77 8.783 8.234 0.549 1
1 928 . 8 1 1 A 77 77 ARG HA H 77 4.420 4.220 0.200 1
1 936 . 8 1 1 A 77 77 ARG C C 77 173.455 174.605 -1.150 1
1 937 . 8 1 1 A 77 77 ARG CA C 77 54.218 55.074 -0.856 1
1 938 . 8 1 1 A 77 77 ARG CB C 77 32.439 30.266 2.173 1
1 941 . 8 1 1 A 77 77 ARG N N 77 121.379 118.878 2.501 1
1 943 . 8 1 1 A 78 78 PHE H H 78 9.258 9.230 0.028 1
1 944 . 8 1 1 A 78 78 PHE HA H 78 5.438 5.151 0.287 1
1 952 . 8 1 1 A 78 78 PHE C C 78 175.873 174.475 1.398 1
1 953 . 8 1 1 A 78 78 PHE CA C 78 55.173 56.828 -1.655 1
1 954 . 8 1 1 A 78 78 PHE CB C 78 44.530 39.764 4.766 1
1 960 . 8 1 1 A 78 78 PHE N N 78 128.097 126.424 1.673 1
1 961 . 8 1 1 A 79 79 ARG H H 79 9.242 8.844 0.398 1
1 962 . 8 1 1 A 79 79 ARG HA H 79 4.201 4.646 -0.445 1
1 969 . 8 1 1 A 79 79 ARG C C 79 175.316 175.897 -0.581 1
1 970 . 8 1 1 A 79 79 ARG CA C 79 55.255 56.838 -1.583 1
1 971 . 8 1 1 A 79 79 ARG CB C 79 29.358 30.590 -1.232 1
1 974 . 8 1 1 A 79 79 ARG N N 79 129.898 130.507 -0.609 1
1 975 . 8 1 1 A 80 80 SER H H 80 9.253 8.804 0.449 1
1 976 . 8 1 1 A 80 80 SER HA H 80 4.772 5.266 -0.494 1
1 979 . 8 1 1 A 80 80 SER C C 80 174.983 175.284 -0.301 1
1 980 . 8 1 1 A 80 80 SER CA C 80 58.191 57.219 0.972 1
1 981 . 8 1 1 A 80 80 SER CB C 80 64.930 65.478 -0.548 1
1 982 . 8 1 1 A 80 80 SER N N 80 128.002 120.769 7.233 1
1 983 . 8 1 1 A 81 81 LYS H H 81 8.065 8.753 -0.688 1
1 984 . 8 1 1 A 81 81 LYS HA H 81 3.675 3.579 0.096 1
1 993 . 8 1 1 A 81 81 LYS C C 81 177.417 177.403 0.014 1
1 994 . 8 1 1 A 81 81 LYS CA C 81 59.236 58.520 0.716 1
1 995 . 8 1 1 A 81 81 LYS CB C 81 31.641 31.945 -0.304 1
1 999 . 8 1 1 A 81 81 LYS N N 81 123.505 121.224 2.281 1
1 1000 . 8 1 1 A 82 82 ASN H H 82 7.934 7.695 0.239 1
1 1001 . 8 1 1 A 82 82 ASN HA H 82 4.679 4.788 -0.109 1
1 1006 . 8 1 1 A 82 82 ASN C C 82 173.949 174.117 -0.168 1
1 1007 . 8 1 1 A 82 82 ASN CA C 82 52.764 52.742 0.022 1
1 1008 . 8 1 1 A 82 82 ASN CB C 82 37.428 38.444 -1.016 1
1 1009 . 8 1 1 A 82 82 ASN N N 82 115.202 114.408 0.794 1
1 1011 . 8 1 1 A 83 83 GLN H H 83 8.099 8.011 0.088 1
1 1012 . 8 1 1 A 83 83 GLN HA H 83 3.382 3.766 -0.384 1
1 1019 . 8 1 1 A 83 83 GLN C C 83 174.208 174.066 0.142 1
1 1020 . 8 1 1 A 83 83 GLN CA C 83 56.400 56.858 -0.458 1
1 1021 . 8 1 1 A 83 83 GLN CB C 83 25.003 26.002 -0.999 1
1 1023 . 8 1 1 A 83 83 GLN N N 83 112.357 115.775 -3.418 1
1 1025 . 8 1 1 A 84 84 GLU H H 84 7.385 7.673 -0.288 1
1 1026 . 8 1 1 A 84 84 GLU HA H 84 4.322 4.711 -0.389 1
1 1031 . 8 1 1 A 84 84 GLU CA C 84 54.720 54.871 -0.151 1
1 1032 . 8 1 1 A 84 84 GLU CB C 84 31.713 32.143 -0.430 1
1 1034 . 8 1 1 A 84 84 GLU N N 84 117.557 116.641 0.916 1
1 1035 . 8 1 1 A 85 85 TRP H H 85 8.645 8.762 -0.117 1
1 1036 . 8 1 1 A 85 85 TRP HA H 85 5.145 4.793 0.352 1
1 1045 . 8 1 1 A 85 85 TRP C C 85 175.772 175.737 0.035 1
1 1046 . 8 1 1 A 85 85 TRP CA C 85 55.591 57.205 -1.614 1
1 1047 . 8 1 1 A 85 85 TRP CB C 85 30.113 28.050 2.063 1
1 1053 . 8 1 1 A 85 85 TRP N N 85 121.388 123.690 -2.302 1
1 1055 . 8 1 1 A 86 86 LEU H H 86 9.348 8.765 0.583 1
1 1056 . 8 1 1 A 86 86 LEU HA H 86 4.847 4.794 0.053 1
1 1066 . 8 1 1 A 86 86 LEU C C 86 176.991 176.298 0.693 1
1 1067 . 8 1 1 A 86 86 LEU CA C 86 53.102 54.326 -1.224 1
1 1068 . 8 1 1 A 86 86 LEU CB C 86 44.527 41.440 3.087 1
1 1071 . 8 1 1 A 86 86 LEU N N 86 126.537 125.782 0.755 1
1 1072 . 8 1 1 A 87 87 TRP H H 87 8.870 8.888 -0.018 1
1 1073 . 8 1 1 A 87 87 TRP HA H 87 4.465 4.991 -0.526 1
1 1082 . 8 1 1 A 87 87 TRP C C 87 175.731 176.932 -1.201 1
1 1083 . 8 1 1 A 87 87 TRP CA C 87 59.207 58.576 0.631 1
1 1084 . 8 1 1 A 87 87 TRP CB C 87 29.736 30.398 -0.662 1
1 1090 . 8 1 1 A 87 87 TRP N N 87 123.902 126.808 -2.906 1
1 1092 . 8 1 1 A 88 88 MET H H 88 9.432 9.116 0.316 1
1 1093 . 8 1 1 A 88 88 MET HA H 88 5.267 5.534 -0.267 1
1 1101 . 8 1 1 A 88 88 MET C C 88 174.713 174.175 0.538 1
1 1102 . 8 1 1 A 88 88 MET CA C 88 52.557 54.277 -1.720 1
1 1103 . 8 1 1 A 88 88 MET CB C 88 36.139 37.215 -1.076 1
1 1106 . 8 1 1 A 88 88 MET N N 88 123.412 121.368 2.044 1
1 1107 . 8 1 1 A 89 89 ARG H H 89 9.282 8.954 0.328 1
1 1108 . 8 1 1 A 89 89 ARG HA H 89 5.702 5.171 0.531 1
1 1115 . 8 1 1 A 89 89 ARG C C 89 177.137 175.726 1.411 1
1 1116 . 8 1 1 A 89 89 ARG CA C 89 54.266 54.672 -0.406 1
1 1117 . 8 1 1 A 89 89 ARG CB C 89 34.404 32.198 2.206 1
1 1120 . 8 1 1 A 89 89 ARG N N 89 119.570 120.976 -1.406 1
1 1121 . 8 1 1 A 90 90 THR H H 90 9.298 9.118 0.180 1
1 1122 . 8 1 1 A 90 90 THR HA H 90 5.625 5.280 0.345 1
1 1127 . 8 1 1 A 90 90 THR C C 90 176.787 174.452 2.335 1
1 1128 . 8 1 1 A 90 90 THR CA C 90 60.327 60.476 -0.149 1
1 1129 . 8 1 1 A 90 90 THR CB C 90 72.187 70.433 1.754 1
1 1131 . 8 1 1 A 90 90 THR N N 90 115.133 117.636 -2.503 1
1 1132 . 8 1 1 A 91 91 SER H H 91 8.194 8.749 -0.555 1
1 1133 . 8 1 1 A 91 91 SER HA H 91 4.860 5.150 -0.290 1
1 1136 . 8 1 1 A 91 91 SER C C 91 175.171 173.310 1.861 1
1 1137 . 8 1 1 A 91 91 SER CA C 91 59.224 57.237 1.987 1
1 1138 . 8 1 1 A 91 91 SER CB C 91 64.094 63.789 0.305 1
1 1139 . 8 1 1 A 91 91 SER N N 91 114.043 121.053 -7.010 1
1 1140 . 8 1 1 A 92 92 SER H H 92 9.864 8.074 1.790 1
1 1141 . 8 1 1 A 92 92 SER HA H 92 6.204 5.126 1.078 1
1 1144 . 8 1 1 A 92 92 SER C C 92 171.748 174.023 -2.275 1
1 1145 . 8 1 1 A 92 92 SER CA C 92 58.818 59.408 -0.590 1
1 1146 . 8 1 1 A 92 92 SER CB C 92 66.419 64.196 2.223 1
1 1147 . 8 1 1 A 92 92 SER N N 92 125.442 121.641 3.801 1
1 1148 . 8 1 1 A 93 93 GLN H H 93 8.873 8.722 0.151 1
1 1149 . 8 1 1 A 93 93 GLN HA H 93 5.048 4.962 0.086 1
1 1156 . 8 1 1 A 93 93 GLN C C 93 174.145 174.521 -0.376 1
1 1157 . 8 1 1 A 93 93 GLN CA C 93 54.262 54.561 -0.299 1
1 1158 . 8 1 1 A 93 93 GLN CB C 93 33.131 32.289 0.842 1
1 1160 . 8 1 1 A 93 93 GLN N N 93 117.328 122.189 -4.861 1
1 1162 . 8 1 1 A 94 94 THR H H 94 8.846 8.584 0.262 1
1 1163 . 8 1 1 A 94 94 THR HA H 94 3.979 4.534 -0.555 1
1 1168 . 8 1 1 A 94 94 THR C C 94 174.677 174.599 0.078 1
1 1169 . 8 1 1 A 94 94 THR CA C 94 64.467 62.617 1.850 1
1 1170 . 8 1 1 A 94 94 THR CB C 94 68.894 69.136 -0.242 1
1 1172 . 8 1 1 A 94 94 THR N N 94 116.526 112.875 3.651 1
1 1173 . 8 1 1 A 95 95 ALA H H 95 8.188 8.603 -0.415 1
1 1174 . 8 1 1 A 95 95 ALA HA H 95 4.161 4.349 -0.188 1
1 1178 . 8 1 1 A 95 95 ALA C C 95 176.285 177.966 -1.681 1
1 1179 . 8 1 1 A 95 95 ALA CA C 95 51.847 52.287 -0.440 1
1 1180 . 8 1 1 A 95 95 ALA CB C 95 18.999 20.422 -1.423 1
1 1181 . 8 1 1 A 95 95 ALA N N 95 126.311 128.217 -1.906 1
1 1182 . 8 1 1 A 96 96 GLN H H 96 8.324 8.657 -0.333 1
1 1183 . 8 1 1 A 96 96 GLN HA H 96 4.175 4.232 -0.057 1
1 1190 . 8 1 1 A 96 96 GLN C C 96 176.230 175.623 0.607 1
1 1191 . 8 1 1 A 96 96 GLN CA C 96 54.621 57.822 -3.201 1
1 1192 . 8 1 1 A 96 96 GLN CB C 96 30.003 28.795 1.208 1
1 1194 . 8 1 1 A 96 96 GLN N N 96 116.920 119.118 -2.198 1
1 1196 . 8 1 1 A 97 97 ASN H H 97 8.512 7.543 0.969 1
1 1197 . 8 1 1 A 97 97 ASN HA H 97 4.436 4.804 -0.368 1
1 1200 . 8 1 1 A 97 97 ASN CA C 97 52.928 50.149 2.779 1
1 1201 . 8 1 1 A 97 97 ASN CB C 97 37.851 41.614 -3.763 1
1 1202 . 8 1 1 A 97 97 ASN N N 97 119.656 113.697 5.959 1
1 1203 . 8 1 1 A 98 98 PRO HA H 98 4.566 4.366 0.200 1
1 1210 . 8 1 1 A 98 98 PRO C C 98 175.164 176.213 -1.049 1
1 1211 . 8 1 1 A 98 98 PRO CA C 98 63.824 63.545 0.279 1
1 1212 . 8 1 1 A 98 98 PRO CB C 98 32.473 32.613 -0.140 1
1 1215 . 8 1 1 A 99 99 TYR H H 99 8.780 7.171 1.609 1
1 1216 . 8 1 1 A 99 99 TYR HA H 99 4.996 4.692 0.304 1
1 1223 . 8 1 1 A 99 99 TYR C C 99 176.421 176.172 0.249 1
1 1224 . 8 1 1 A 99 99 TYR CA C 99 55.837 58.044 -2.207 1
1 1225 . 8 1 1 A 99 99 TYR CB C 99 37.199 37.788 -0.589 1
1 1230 . 8 1 1 A 99 99 TYR N N 99 127.975 119.188 8.787 1
1 1231 . 8 1 1 A 100 100 SER H H 100 7.655 8.037 -0.382 1
1 1232 . 8 1 1 A 100 100 SER HA H 100 4.274 4.405 -0.131 1
1 1235 . 8 1 1 A 100 100 SER C C 100 174.144 176.842 -2.698 1
1 1236 . 8 1 1 A 100 100 SER CA C 100 60.567 61.302 -0.735 1
1 1237 . 8 1 1 A 100 100 SER CB C 100 63.266 63.107 0.159 1
1 1238 . 8 1 1 A 100 100 SER N N 100 113.164 117.407 -4.243 1
1 1239 . 8 1 1 A 101 101 ASP H H 101 8.736 8.170 0.566 1
1 1240 . 8 1 1 A 101 101 ASP HA H 101 4.688 4.512 0.176 1
1 1243 . 8 1 1 A 101 101 ASP C C 101 175.535 176.433 -0.898 1
1 1244 . 8 1 1 A 101 101 ASP CA C 101 54.103 55.987 -1.884 1
1 1245 . 8 1 1 A 101 101 ASP CB C 101 40.098 40.909 -0.811 1
1 1246 . 8 1 1 A 101 101 ASP N N 101 118.476 120.934 -2.458 1
1 1247 . 8 1 1 A 102 102 GLU H H 102 8.127 8.433 -0.306 1
1 1248 . 8 1 1 A 102 102 GLU HA H 102 4.448 4.710 -0.262 1
1 1253 . 8 1 1 A 102 102 GLU CA C 102 54.963 55.466 -0.503 1
1 1254 . 8 1 1 A 102 102 GLU CB C 102 31.769 31.478 0.291 1
1 1256 . 8 1 1 A 102 102 GLU N N 102 119.744 118.218 1.526 1
1 1257 . 8 1 1 A 103 103 ILE H H 103 8.645 8.595 0.050 1
1 1258 . 8 1 1 A 103 103 ILE HA H 103 4.001 4.669 -0.668 1
1 1268 . 8 1 1 A 103 103 ILE C C 103 174.065 174.589 -0.524 1
1 1269 . 8 1 1 A 103 103 ILE CA C 103 60.418 60.883 -0.465 1
1 1270 . 8 1 1 A 103 103 ILE CB C 103 40.781 40.826 -0.045 1
1 1274 . 8 1 1 A 103 103 ILE N N 103 121.388 120.749 0.639 1
1 1275 . 8 1 1 A 104 104 GLU H H 104 8.957 9.125 -0.168 1
1 1276 . 8 1 1 A 104 104 GLU HA H 104 5.099 4.562 0.537 1
1 1281 . 8 1 1 A 104 104 GLU C C 104 175.093 175.295 -0.202 1
1 1282 . 8 1 1 A 104 104 GLU CA C 104 54.898 56.284 -1.386 1
1 1283 . 8 1 1 A 104 104 GLU CB C 104 32.330 30.104 2.226 1
1 1285 . 8 1 1 A 104 104 GLU N N 104 125.935 128.371 -2.436 1
1 1286 . 8 1 1 A 105 105 THR H H 105 8.774 8.846 -0.072 1
1 1287 . 8 1 1 A 105 105 THR HA H 105 5.226 4.947 0.279 1
1 1292 . 8 1 1 A 105 105 THR C C 105 174.876 173.727 1.149 1
1 1293 . 8 1 1 A 105 105 THR CA C 105 61.469 62.289 -0.820 1
1 1294 . 8 1 1 A 105 105 THR CB C 105 70.382 69.957 0.425 1
1 1296 . 8 1 1 A 105 105 THR N N 105 127.200 121.197 6.003 1
1 1297 . 8 1 1 A 106 106 ILE H H 106 9.186 8.988 0.198 1
1 1298 . 8 1 1 A 106 106 ILE HA H 106 4.486 4.641 -0.155 1
1 1308 . 8 1 1 A 106 106 ILE C C 106 175.412 175.208 0.204 1
1 1309 . 8 1 1 A 106 106 ILE CA C 106 61.423 60.486 0.937 1
1 1310 . 8 1 1 A 106 106 ILE CB C 106 38.432 37.714 0.718 1
1 1313 . 8 1 1 A 106 106 ILE N N 106 107.991 128.467 -20.476 1
1 1314 . 8 1 1 A 107 107 ILE H H 107 8.431 8.287 0.144 1
1 1315 . 8 1 1 A 107 107 ILE HA H 107 4.239 4.436 -0.197 1
1 1325 . 8 1 1 A 107 107 ILE C C 107 173.805 174.672 -0.867 1
1 1326 . 8 1 1 A 107 107 ILE CA C 107 61.459 61.001 0.458 1
1 1327 . 8 1 1 A 107 107 ILE CB C 107 37.499 37.127 0.372 1
1 1331 . 8 1 1 A 107 107 ILE N N 107 129.202 128.449 0.753 1
1 1332 . 8 1 1 A 108 108 CYS H H 108 8.581 9.156 -0.575 1
1 1333 . 8 1 1 A 108 108 CYS HA H 108 5.298 5.258 0.040 1
1 1336 . 8 1 1 A 108 108 CYS C C 108 174.235 173.965 0.270 1
1 1337 . 8 1 1 A 108 108 CYS CA C 108 55.861 56.879 -1.018 1
1 1338 . 8 1 1 A 108 108 CYS CB C 108 31.110 30.801 0.309 1
1 1339 . 8 1 1 A 108 108 CYS N N 108 124.561 128.150 -3.589 1
1 1340 . 8 1 1 A 109 109 THR H H 109 8.701 8.694 0.007 1
1 1341 . 8 1 1 A 109 109 THR HA H 109 4.733 4.468 0.265 1
1 1346 . 8 1 1 A 109 109 THR C C 109 174.927 174.759 0.168 1
1 1347 . 8 1 1 A 109 109 THR CA C 109 63.466 62.367 1.099 1
1 1348 . 8 1 1 A 109 109 THR CB C 109 69.636 69.743 -0.107 1
1 1350 . 8 1 1 A 109 109 THR N N 109 119.017 118.039 0.978 1
1 1351 . 8 1 1 A 110 110 ASN H H 110 8.527 9.289 -0.762 1
1 1352 . 8 1 1 A 110 110 ASN HA H 110 4.891 4.909 -0.018 1
1 1357 . 8 1 1 A 110 110 ASN C C 110 174.829 174.432 0.397 1
1 1358 . 8 1 1 A 110 110 ASN CA C 110 53.104 54.880 -1.776 1
1 1359 . 8 1 1 A 110 110 ASN CB C 110 39.813 40.350 -0.537 1
1 1360 . 8 1 1 A 110 110 ASN N N 110 122.861 122.477 0.384 1
1 1362 . 8 1 1 A 111 111 THR H H 111 8.159 7.780 0.379 1
1 1363 . 8 1 1 A 111 111 THR HA H 111 4.407 4.667 -0.260 1
1 1368 . 8 1 1 A 111 111 THR C C 111 174.189 171.926 2.263 1
1 1369 . 8 1 1 A 111 111 THR CA C 111 61.900 60.839 1.061 1
1 1370 . 8 1 1 A 111 111 THR CB C 111 69.400 70.791 -1.391 1
1 1372 . 8 1 1 A 111 111 THR N N 111 114.879 111.700 3.179 1
1 1373 . 8 1 1 A 112 112 ASN H H 112 8.359 8.787 -0.428 1
1 1374 . 8 1 1 A 112 112 ASN N N 112 121.000 124.980 -3.980 1
1 1375 . 8 1 1 A 117 117 SER C C 117 174.242 174.318 -0.076 1
1 1376 . 8 1 1 A 117 117 SER CA C 117 58.557 59.228 -0.671 1
1 1377 . 8 1 1 A 117 117 SER CB C 117 63.729 65.390 -1.661 1
1 1378 . 8 1 1 A 118 118 GLN H H 118 8.304 7.330 0.974 1
1 1379 . 8 1 1 A 118 118 GLN C C 118 174.889 175.893 -1.004 1
1 1380 . 8 1 1 A 118 118 GLN CA C 118 55.764 55.294 0.470 1
1 1381 . 8 1 1 A 118 118 GLN CB C 118 29.659 29.452 0.207 1
1 1382 . 8 1 1 A 118 118 GLN N N 118 122.171 118.666 3.505 1
1 1 . 9 1 1 A 2 2 ALA HA H 2 4.298 4.455 -0.157 1
1 5 . 9 1 1 A 2 2 ALA CA C 2 53.448 51.151 2.297 1
1 6 . 9 1 1 A 2 2 ALA CB C 2 19.236 17.873 1.363 1
1 7 . 9 1 1 A 3 3 MET H H 3 8.518 8.353 0.165 1
1 12 . 9 1 1 A 3 3 MET N N 3 117.762 124.181 -6.419 1
1 13 . 9 1 1 A 4 4 ASP CA C 4 54.632 54.822 -0.190 1
1 14 . 9 1 1 A 4 4 ASP CB C 4 41.102 39.485 1.617 1
1 15 . 9 1 1 A 5 5 ASN H H 5 8.332 8.507 -0.175 1
1 18 . 9 1 1 A 5 5 ASN CA C 5 53.361 54.892 -1.531 1
1 19 . 9 1 1 A 5 5 ASN CB C 5 38.775 38.388 0.387 1
1 20 . 9 1 1 A 5 5 ASN N N 5 118.200 123.391 -5.191 1
1 22 . 9 1 1 A 6 6 VAL H H 6 7.939 7.670 0.269 1
1 23 . 9 1 1 A 6 6 VAL HA H 6 4.142 4.558 -0.416 1
1 31 . 9 1 1 A 6 6 VAL CA C 6 62.634 60.326 2.308 1
1 32 . 9 1 1 A 6 6 VAL CB C 6 32.598 34.998 -2.400 1
1 35 . 9 1 1 A 6 6 VAL N N 6 120.396 115.002 5.394 1
1 36 . 9 1 1 A 7 7 CYS H H 7 8.304 8.579 -0.275 1
1 37 . 9 1 1 A 7 7 CYS CA C 7 56.095 58.808 -2.713 1
1 38 . 9 1 1 A 7 7 CYS CB C 7 32.967 28.252 4.715 1
1 39 . 9 1 1 A 7 7 CYS N N 7 124.774 125.107 -0.333 1
1 40 . 9 1 1 A 9 9 PRO HA H 9 4.547 4.720 -0.173 1
1 46 . 9 1 1 A 9 9 PRO C C 9 176.493 175.696 0.797 1
1 47 . 9 1 1 A 9 9 PRO CA C 9 63.142 62.448 0.694 1
1 48 . 9 1 1 A 9 9 PRO CB C 9 32.554 32.881 -0.327 1
1 51 . 9 1 1 A 10 10 THR H H 10 8.368 8.773 -0.405 1
1 52 . 9 1 1 A 10 10 THR HA H 10 4.418 4.457 -0.039 1
1 57 . 9 1 1 A 10 10 THR C C 10 172.743 173.624 -0.881 1
1 58 . 9 1 1 A 10 10 THR CA C 10 61.197 63.032 -1.835 1
1 59 . 9 1 1 A 10 10 THR CB C 10 69.660 71.401 -1.741 1
1 61 . 9 1 1 A 10 10 THR N N 10 112.513 113.562 -1.049 1
1 62 . 9 1 1 A 11 11 GLU H H 11 7.813 7.923 -0.110 1
1 63 . 9 1 1 A 11 11 GLU HA H 11 5.549 5.042 0.507 1
1 68 . 9 1 1 A 11 11 GLU C C 11 173.062 174.165 -1.103 1
1 69 . 9 1 1 A 11 11 GLU CA C 11 53.855 55.490 -1.635 1
1 70 . 9 1 1 A 11 11 GLU CB C 11 33.820 32.788 1.032 1
1 72 . 9 1 1 A 11 11 GLU N N 11 119.491 116.306 3.185 1
1 73 . 9 1 1 A 12 12 PHE H H 12 8.198 8.778 -0.580 1
1 74 . 9 1 1 A 12 12 PHE HA H 12 5.014 5.885 -0.871 1
1 82 . 9 1 1 A 12 12 PHE C C 12 171.976 173.567 -1.591 1
1 83 . 9 1 1 A 12 12 PHE CA C 12 55.597 55.309 0.288 1
1 84 . 9 1 1 A 12 12 PHE CB C 12 42.384 42.110 0.274 1
1 90 . 9 1 1 A 12 12 PHE N N 12 111.146 117.193 -6.047 1
1 91 . 9 1 1 A 13 13 ILE H H 13 8.655 8.606 0.049 1
1 92 . 9 1 1 A 13 13 ILE HA H 13 4.165 4.416 -0.251 1
1 102 . 9 1 1 A 13 13 ILE C C 13 173.432 175.069 -1.637 1
1 103 . 9 1 1 A 13 13 ILE CA C 13 62.270 61.927 0.343 1
1 104 . 9 1 1 A 13 13 ILE CB C 13 39.957 36.832 3.125 1
1 108 . 9 1 1 A 13 13 ILE N N 13 121.427 124.636 -3.209 1
1 109 . 9 1 1 A 14 14 SER H H 14 8.034 9.031 -0.997 1
1 110 . 9 1 1 A 14 14 SER HA H 14 5.588 5.170 0.418 1
1 113 . 9 1 1 A 14 14 SER C C 14 173.429 173.600 -0.171 1
1 114 . 9 1 1 A 14 14 SER CA C 14 56.650 56.516 0.134 1
1 115 . 9 1 1 A 14 14 SER CB C 14 70.177 64.934 5.243 1
1 116 . 9 1 1 A 14 14 SER N N 14 121.358 123.575 -2.217 1
1 117 . 9 1 1 A 15 15 ARG H H 15 9.545 8.994 0.551 1
1 118 . 9 1 1 A 15 15 ARG HA H 15 5.826 4.840 0.986 1
1 126 . 9 1 1 A 15 15 ARG C C 15 176.042 175.667 0.375 1
1 127 . 9 1 1 A 15 15 ARG CA C 15 55.105 55.447 -0.342 1
1 128 . 9 1 1 A 15 15 ARG CB C 15 35.587 32.590 2.997 1
1 131 . 9 1 1 A 15 15 ARG N N 15 118.317 127.346 -9.029 1
1 133 . 9 1 1 A 16 16 HIS H H 16 8.730 8.233 0.497 1
1 134 . 9 1 1 A 16 16 HIS HA H 16 5.555 5.475 0.080 1
1 141 . 9 1 1 A 16 16 HIS C C 16 174.062 173.018 1.044 1
1 142 . 9 1 1 A 16 16 HIS CA C 16 54.057 54.460 -0.403 1
1 143 . 9 1 1 A 16 16 HIS CB C 16 31.334 31.436 -0.102 1
1 146 . 9 1 1 A 16 16 HIS N N 16 117.425 117.160 0.265 1
1 148 . 9 1 1 A 17 17 ASN H H 17 8.201 8.794 -0.593 1
1 149 . 9 1 1 A 17 17 ASN HA H 17 4.897 4.895 0.002 1
1 154 . 9 1 1 A 17 17 ASN C C 17 178.263 175.657 2.606 1
1 155 . 9 1 1 A 17 17 ASN CA C 17 51.104 51.680 -0.576 1
1 156 . 9 1 1 A 17 17 ASN CB C 17 38.469 39.026 -0.557 1
1 157 . 9 1 1 A 17 17 ASN N N 17 116.276 117.905 -1.629 1
1 159 . 9 1 1 A 18 18 ILE H H 18 8.774 8.811 -0.037 1
1 160 . 9 1 1 A 18 18 ILE HA H 18 3.795 3.912 -0.117 1
1 170 . 9 1 1 A 18 18 ILE C C 18 174.851 177.773 -2.922 1
1 171 . 9 1 1 A 18 18 ILE CA C 18 64.399 64.066 0.333 1
1 172 . 9 1 1 A 18 18 ILE CB C 18 38.072 37.869 0.203 1
1 176 . 9 1 1 A 18 18 ILE N N 18 120.001 120.212 -0.211 1
1 177 . 9 1 1 A 19 19 GLU H H 19 7.213 7.829 -0.616 1
1 178 . 9 1 1 A 19 19 GLU HA H 19 4.225 4.118 0.107 1
1 183 . 9 1 1 A 19 19 GLU CA C 19 57.145 56.817 0.328 1
1 184 . 9 1 1 A 19 19 GLU CB C 19 29.878 29.830 0.048 1
1 186 . 9 1 1 A 19 19 GLU N N 19 116.538 119.682 -3.144 1
1 187 . 9 1 1 A 20 20 GLY H H 20 7.845 7.844 0.001 1
1 188 . 9 1 1 A 20 20 GLY HA2 H 20 4.878 2.779 2.099 1
1 189 . 9 1 1 A 20 20 GLY HA3 H 20 2.886 3.650 -0.764 1
1 190 . 9 1 1 A 20 20 GLY C C 20 172.992 174.077 -1.085 1
1 191 . 9 1 1 A 20 20 GLY CA C 20 44.049 44.307 -0.258 1
1 192 . 9 1 1 A 20 20 GLY N N 20 104.883 106.150 -1.267 1
1 193 . 9 1 1 A 21 21 ILE H H 21 7.841 7.641 0.200 1
1 194 . 9 1 1 A 21 21 ILE HA H 21 3.995 4.070 -0.075 1
1 204 . 9 1 1 A 21 21 ILE C C 21 176.915 175.479 1.436 1
1 205 . 9 1 1 A 21 21 ILE CA C 21 60.302 61.837 -1.535 1
1 206 . 9 1 1 A 21 21 ILE CB C 21 36.111 38.005 -1.894 1
1 210 . 9 1 1 A 21 21 ILE N N 21 120.855 122.677 -1.822 1
1 211 . 9 1 1 A 22 22 PHE H H 22 8.896 8.571 0.325 1
1 212 . 9 1 1 A 22 22 PHE HA H 22 5.052 5.006 0.046 1
1 220 . 9 1 1 A 22 22 PHE C C 22 177.971 176.239 1.732 1
1 221 . 9 1 1 A 22 22 PHE CA C 22 59.625 58.839 0.786 1
1 222 . 9 1 1 A 22 22 PHE CB C 22 39.984 39.111 0.873 1
1 228 . 9 1 1 A 22 22 PHE N N 22 125.849 128.452 -2.603 1
1 229 . 9 1 1 A 23 23 THR H H 23 9.771 8.920 0.851 1
1 230 . 9 1 1 A 23 23 THR HA H 23 4.403 4.526 -0.123 1
1 235 . 9 1 1 A 23 23 THR C C 23 175.589 174.590 0.999 1
1 236 . 9 1 1 A 23 23 THR CA C 23 61.611 62.276 -0.665 1
1 237 . 9 1 1 A 23 23 THR CB C 23 69.193 69.261 -0.068 1
1 239 . 9 1 1 A 23 23 THR N N 23 117.677 115.435 2.242 1
1 240 . 9 1 1 A 24 24 PHE H H 24 7.948 7.452 0.496 1
1 241 . 9 1 1 A 24 24 PHE HA H 24 4.483 4.813 -0.330 1
1 249 . 9 1 1 A 24 24 PHE C C 24 173.376 173.310 0.066 1
1 250 . 9 1 1 A 24 24 PHE CA C 24 59.142 58.287 0.855 1
1 251 . 9 1 1 A 24 24 PHE CB C 24 42.161 42.428 -0.267 1
1 257 . 9 1 1 A 24 24 PHE N N 24 123.378 121.228 2.150 1
1 258 . 9 1 1 A 25 25 VAL H H 25 7.340 7.404 -0.064 1
1 259 . 9 1 1 A 25 25 VAL HA H 25 4.166 4.288 -0.122 1
1 267 . 9 1 1 A 25 25 VAL C C 25 173.103 173.501 -0.398 1
1 268 . 9 1 1 A 25 25 VAL CA C 25 61.539 60.378 1.161 1
1 269 . 9 1 1 A 25 25 VAL CB C 25 35.683 35.160 0.523 1
1 272 . 9 1 1 A 25 25 VAL N N 25 124.777 123.614 1.163 1
1 273 . 9 1 1 A 26 26 ASP H H 26 7.942 8.435 -0.493 1
1 274 . 9 1 1 A 26 26 ASP HA H 26 4.466 4.570 -0.104 1
1 277 . 9 1 1 A 26 26 ASP C C 26 175.258 177.267 -2.009 1
1 278 . 9 1 1 A 26 26 ASP CA C 26 53.318 54.367 -1.049 1
1 279 . 9 1 1 A 26 26 ASP CB C 26 42.461 42.292 0.169 1
1 280 . 9 1 1 A 26 26 ASP N N 26 125.573 126.493 -0.920 1
1 281 . 9 1 1 A 27 27 HIS H H 27 8.115 8.920 -0.805 1
1 282 . 9 1 1 A 27 27 HIS HA H 27 4.222 4.107 0.115 1
1 286 . 9 1 1 A 27 27 HIS C C 27 177.268 176.491 0.777 1
1 287 . 9 1 1 A 27 27 HIS CA C 27 59.164 58.732 0.432 1
1 288 . 9 1 1 A 27 27 HIS CB C 27 30.374 29.238 1.136 1
1 290 . 9 1 1 A 27 27 HIS N N 27 117.576 123.601 -6.025 1
1 291 . 9 1 1 A 28 28 ARG H H 28 8.724 8.075 0.649 1
1 292 . 9 1 1 A 28 28 ARG HA H 28 4.210 3.692 0.518 1
1 300 . 9 1 1 A 28 28 ARG C C 28 177.838 179.200 -1.362 1
1 301 . 9 1 1 A 28 28 ARG CA C 28 58.199 59.286 -1.087 1
1 302 . 9 1 1 A 28 28 ARG CB C 28 29.815 29.444 0.371 1
1 305 . 9 1 1 A 28 28 ARG N N 28 122.414 120.567 1.847 1
1 307 . 9 1 1 A 29 29 CYS H H 29 8.102 8.267 -0.165 1
1 308 . 9 1 1 A 29 29 CYS HA H 29 3.124 3.139 -0.015 1
1 311 . 9 1 1 A 29 29 CYS C C 29 175.551 176.903 -1.352 1
1 312 . 9 1 1 A 29 29 CYS CA C 29 59.988 60.940 -0.952 1
1 313 . 9 1 1 A 29 29 CYS CB C 29 25.101 26.120 -1.019 1
1 314 . 9 1 1 A 29 29 CYS N N 29 119.987 117.445 2.542 1
1 315 . 9 1 1 A 30 30 VAL H H 30 7.139 7.082 0.057 1
1 316 . 9 1 1 A 30 30 VAL HA H 30 3.373 3.676 -0.303 1
1 324 . 9 1 1 A 30 30 VAL C C 30 178.225 178.009 0.216 1
1 325 . 9 1 1 A 30 30 VAL CA C 30 65.903 64.307 1.596 1
1 326 . 9 1 1 A 30 30 VAL CB C 30 31.446 31.527 -0.081 1
1 329 . 9 1 1 A 30 30 VAL N N 30 125.016 119.299 5.717 1
1 330 . 9 1 1 A 31 31 ALA H H 31 7.393 7.776 -0.383 1
1 331 . 9 1 1 A 31 31 ALA HA H 31 4.126 4.093 0.033 1
1 335 . 9 1 1 A 31 31 ALA C C 31 178.111 179.859 -1.748 1
1 336 . 9 1 1 A 31 31 ALA CA C 31 53.715 54.459 -0.744 1
1 337 . 9 1 1 A 31 31 ALA CB C 31 19.223 18.480 0.743 1
1 338 . 9 1 1 A 31 31 ALA N N 31 120.554 124.232 -3.678 1
1 339 . 9 1 1 A 32 32 THR H H 32 7.253 7.743 -0.490 1
1 340 . 9 1 1 A 32 32 THR HA H 32 4.116 4.059 0.057 1
1 345 . 9 1 1 A 32 32 THR C C 32 175.655 176.038 -0.383 1
1 346 . 9 1 1 A 32 32 THR CA C 32 64.727 65.743 -1.016 1
1 347 . 9 1 1 A 32 32 THR CB C 32 69.144 69.312 -0.168 1
1 349 . 9 1 1 A 32 32 THR N N 32 109.150 113.840 -4.690 1
1 350 . 9 1 1 A 33 33 VAL H H 33 7.939 7.717 0.222 1
1 351 . 9 1 1 A 33 33 VAL HA H 33 4.504 4.652 -0.148 1
1 359 . 9 1 1 A 33 33 VAL C C 33 175.594 176.368 -0.774 1
1 360 . 9 1 1 A 33 33 VAL CA C 33 60.596 60.519 0.077 1
1 361 . 9 1 1 A 33 33 VAL CB C 33 34.900 31.472 3.428 1
1 364 . 9 1 1 A 33 33 VAL N N 33 108.519 113.175 -4.656 1
1 365 . 9 1 1 A 34 34 GLY H H 34 7.439 7.832 -0.393 1
1 366 . 9 1 1 A 34 34 GLY HA2 H 34 4.099 3.684 0.415 1
1 367 . 9 1 1 A 34 34 GLY HA3 H 34 3.846 3.793 0.053 1
1 368 . 9 1 1 A 34 34 GLY C C 34 173.655 173.618 0.037 1
1 369 . 9 1 1 A 34 34 GLY CA C 34 46.538 45.344 1.194 1
1 370 . 9 1 1 A 34 34 GLY N N 34 109.672 110.225 -0.553 1
1 371 . 9 1 1 A 35 35 TYR H H 35 6.215 7.438 -1.223 1
1 372 . 9 1 1 A 35 35 TYR HA H 35 4.415 4.865 -0.450 1
1 379 . 9 1 1 A 35 35 TYR C C 35 174.492 175.341 -0.849 1
1 380 . 9 1 1 A 35 35 TYR CA C 35 57.289 58.886 -1.597 1
1 381 . 9 1 1 A 35 35 TYR CB C 35 40.784 38.234 2.550 1
1 386 . 9 1 1 A 35 35 TYR N N 35 117.067 119.973 -2.906 1
1 387 . 9 1 1 A 36 36 GLN H H 36 9.145 8.435 0.710 1
1 388 . 9 1 1 A 36 36 GLN HA H 36 4.285 4.256 0.029 1
1 393 . 9 1 1 A 36 36 GLN CA C 36 53.760 54.613 -0.853 1
1 394 . 9 1 1 A 36 36 GLN CB C 36 27.558 28.341 -0.783 1
1 396 . 9 1 1 A 36 36 GLN N N 36 117.664 124.174 -6.510 1
1 397 . 9 1 1 A 37 37 PRO HA H 37 3.755 4.033 -0.278 1
1 404 . 9 1 1 A 37 37 PRO C C 37 178.629 178.239 0.390 1
1 405 . 9 1 1 A 37 37 PRO CA C 37 66.415 65.766 0.649 1
1 406 . 9 1 1 A 37 37 PRO CB C 37 31.313 31.658 -0.345 1
1 409 . 9 1 1 A 38 38 GLN H H 38 8.870 8.833 0.037 1
1 410 . 9 1 1 A 38 38 GLN HA H 38 3.996 4.093 -0.097 1
1 415 . 9 1 1 A 38 38 GLN C C 38 177.121 177.409 -0.288 1
1 416 . 9 1 1 A 38 38 GLN CA C 38 58.468 58.266 0.202 1
1 417 . 9 1 1 A 38 38 GLN CB C 38 27.259 27.426 -0.167 1
1 419 . 9 1 1 A 38 38 GLN N N 38 113.031 115.375 -2.344 1
1 420 . 9 1 1 A 39 39 GLU H H 39 7.799 7.828 -0.029 1
1 421 . 9 1 1 A 39 39 GLU HA H 39 4.203 4.244 -0.041 1
1 426 . 9 1 1 A 39 39 GLU C C 39 175.485 177.369 -1.884 1
1 427 . 9 1 1 A 39 39 GLU CA C 39 57.598 58.343 -0.745 1
1 428 . 9 1 1 A 39 39 GLU CB C 39 30.955 29.624 1.331 1
1 430 . 9 1 1 A 39 39 GLU N N 39 117.366 119.579 -2.213 1
1 431 . 9 1 1 A 40 40 LEU H H 40 7.001 7.340 -0.339 1
1 432 . 9 1 1 A 40 40 LEU HA H 40 4.205 4.523 -0.318 1
1 442 . 9 1 1 A 40 40 LEU C C 40 176.417 177.337 -0.920 1
1 443 . 9 1 1 A 40 40 LEU CA C 40 55.345 55.712 -0.367 1
1 444 . 9 1 1 A 40 40 LEU CB C 40 43.190 43.485 -0.295 1
1 448 . 9 1 1 A 40 40 LEU N N 40 116.615 118.390 -1.775 1
1 449 . 9 1 1 A 41 41 LEU H H 41 7.521 7.945 -0.424 1
1 450 . 9 1 1 A 41 41 LEU HA H 41 3.678 4.294 -0.616 1
1 460 . 9 1 1 A 41 41 LEU C C 41 177.754 177.964 -0.210 1
1 461 . 9 1 1 A 41 41 LEU CA C 41 57.050 57.251 -0.201 1
1 462 . 9 1 1 A 41 41 LEU CB C 41 42.155 41.655 0.500 1
1 466 . 9 1 1 A 41 41 LEU N N 41 117.814 121.196 -3.382 1
1 467 . 9 1 1 A 42 42 GLY H H 42 8.535 9.341 -0.806 1
1 468 . 9 1 1 A 42 42 GLY HA2 H 42 4.328 4.013 0.315 1
1 469 . 9 1 1 A 42 42 GLY HA3 H 42 3.601 4.014 -0.413 1
1 470 . 9 1 1 A 42 42 GLY C C 42 173.808 173.771 0.037 1
1 471 . 9 1 1 A 42 42 GLY CA C 42 45.689 45.291 0.398 1
1 472 . 9 1 1 A 42 42 GLY N N 42 110.496 111.899 -1.403 1
1 473 . 9 1 1 A 43 43 LYS H H 43 8.398 8.105 0.293 1
1 474 . 9 1 1 A 43 43 LYS HA H 43 4.680 4.599 0.081 1
1 483 . 9 1 1 A 43 43 LYS C C 43 173.943 175.515 -1.572 1
1 484 . 9 1 1 A 43 43 LYS CA C 43 54.361 54.669 -0.308 1
1 485 . 9 1 1 A 43 43 LYS CB C 43 33.960 34.175 -0.215 1
1 489 . 9 1 1 A 43 43 LYS N N 43 120.461 120.649 -0.188 1
1 490 . 9 1 1 A 44 44 ASN H H 44 8.892 8.230 0.662 1
1 491 . 9 1 1 A 44 44 ASN HA H 44 4.690 4.610 0.080 1
1 496 . 9 1 1 A 44 44 ASN C C 44 176.922 175.680 1.242 1
1 497 . 9 1 1 A 44 44 ASN CA C 44 52.256 53.224 -0.968 1
1 498 . 9 1 1 A 44 44 ASN CB C 44 40.451 39.635 0.816 1
1 499 . 9 1 1 A 44 44 ASN N N 44 119.869 121.834 -1.965 1
1 501 . 9 1 1 A 45 45 ILE H H 45 8.543 8.250 0.293 1
1 502 . 9 1 1 A 45 45 ILE HA H 45 3.887 3.639 0.248 1
1 511 . 9 1 1 A 45 45 ILE C C 45 176.137 177.082 -0.945 1
1 512 . 9 1 1 A 45 45 ILE CA C 45 65.116 64.410 0.706 1
1 513 . 9 1 1 A 45 45 ILE CB C 45 36.637 37.590 -0.953 1
1 517 . 9 1 1 A 45 45 ILE N N 45 129.131 127.423 1.708 1
1 518 . 9 1 1 A 46 46 VAL H H 46 9.059 7.375 1.684 1
1 519 . 9 1 1 A 46 46 VAL HA H 46 3.439 3.729 -0.290 1
1 527 . 9 1 1 A 46 46 VAL C C 46 178.407 178.187 0.220 1
1 528 . 9 1 1 A 46 46 VAL CA C 46 65.705 65.512 0.193 1
1 529 . 9 1 1 A 46 46 VAL CB C 46 31.022 31.157 -0.135 1
1 532 . 9 1 1 A 46 46 VAL N N 46 118.981 117.996 0.985 1
1 533 . 9 1 1 A 47 47 GLU H H 47 7.923 8.351 -0.428 1
1 534 . 9 1 1 A 47 47 GLU HA H 47 3.989 3.901 0.088 1
1 539 . 9 1 1 A 47 47 GLU C C 47 177.664 178.869 -1.205 1
1 540 . 9 1 1 A 47 47 GLU CA C 47 57.999 59.231 -1.232 1
1 541 . 9 1 1 A 47 47 GLU CB C 47 28.849 29.098 -0.249 1
1 543 . 9 1 1 A 47 47 GLU N N 47 117.733 121.777 -4.044 1
1 544 . 9 1 1 A 48 48 PHE H H 48 7.689 7.490 0.199 1
1 545 . 9 1 1 A 48 48 PHE HA H 48 4.177 4.220 -0.043 1
1 553 . 9 1 1 A 48 48 PHE C C 48 172.739 175.875 -3.136 1
1 554 . 9 1 1 A 48 48 PHE CA C 48 57.725 59.778 -2.053 1
1 555 . 9 1 1 A 48 48 PHE CB C 48 39.428 39.342 0.086 1
1 561 . 9 1 1 A 48 48 PHE N N 48 117.768 115.785 1.983 1
1 562 . 9 1 1 A 49 49 CYS H H 49 7.413 7.339 0.074 1
1 563 . 9 1 1 A 49 49 CYS HA H 49 5.671 5.019 0.652 1
1 566 . 9 1 1 A 49 49 CYS CA C 49 56.429 60.099 -3.670 1
1 567 . 9 1 1 A 49 49 CYS CB C 49 28.747 28.055 0.692 1
1 568 . 9 1 1 A 49 49 CYS N N 49 119.705 118.172 1.533 1
1 569 . 9 1 1 A 50 50 HIS H H 50 8.640 8.605 0.035 1
1 570 . 9 1 1 A 50 50 HIS HA H 50 3.655 3.997 -0.342 1
1 574 . 9 1 1 A 50 50 HIS CA C 50 56.934 54.849 2.085 1
1 575 . 9 1 1 A 50 50 HIS CB C 50 32.071 30.225 1.846 1
1 577 . 9 1 1 A 50 50 HIS N N 50 134.180 124.920 9.260 1
1 578 . 9 1 1 A 51 51 PRO HA H 51 4.044 4.150 -0.106 1
1 584 . 9 1 1 A 51 51 PRO C C 51 179.121 178.873 0.248 1
1 585 . 9 1 1 A 51 51 PRO CA C 51 65.989 66.052 -0.063 1
1 586 . 9 1 1 A 51 51 PRO CB C 51 32.605 31.635 0.970 1
1 589 . 9 1 1 A 52 52 GLU H H 52 10.986 8.643 2.343 1
1 590 . 9 1 1 A 52 52 GLU HA H 52 4.125 4.124 0.001 1
1 595 . 9 1 1 A 52 52 GLU C C 52 177.643 177.221 0.422 1
1 596 . 9 1 1 A 52 52 GLU CA C 52 58.522 58.965 -0.443 1
1 597 . 9 1 1 A 52 52 GLU CB C 52 29.347 28.906 0.441 1
1 599 . 9 1 1 A 52 52 GLU N N 52 119.351 117.738 1.613 1
1 600 . 9 1 1 A 53 53 ASP H H 53 8.203 8.150 0.053 1
1 601 . 9 1 1 A 53 53 ASP HA H 53 4.898 4.647 0.251 1
1 604 . 9 1 1 A 53 53 ASP C C 53 175.641 177.237 -1.596 1
1 605 . 9 1 1 A 53 53 ASP CA C 53 54.092 54.664 -0.572 1
1 606 . 9 1 1 A 53 53 ASP CB C 53 43.596 41.798 1.798 1
1 607 . 9 1 1 A 53 53 ASP N N 53 117.757 117.852 -0.095 1
1 608 . 9 1 1 A 54 54 GLN H H 54 6.922 7.934 -1.012 1
1 609 . 9 1 1 A 54 54 GLN HA H 54 3.985 3.953 0.032 1
1 616 . 9 1 1 A 54 54 GLN C C 54 177.417 178.698 -1.281 1
1 617 . 9 1 1 A 54 54 GLN CA C 54 60.084 59.006 1.078 1
1 618 . 9 1 1 A 54 54 GLN CB C 54 28.448 28.239 0.209 1
1 620 . 9 1 1 A 54 54 GLN N N 54 118.680 119.488 -0.808 1
1 622 . 9 1 1 A 55 55 GLN H H 55 8.663 7.984 0.679 1
1 623 . 9 1 1 A 55 55 GLN HA H 55 3.778 4.046 -0.268 1
1 630 . 9 1 1 A 55 55 GLN C C 55 177.398 178.114 -0.716 1
1 631 . 9 1 1 A 55 55 GLN CA C 55 58.812 58.567 0.245 1
1 632 . 9 1 1 A 55 55 GLN CB C 55 27.402 28.260 -0.858 1
1 634 . 9 1 1 A 55 55 GLN N N 55 119.173 119.926 -0.753 1
1 636 . 9 1 1 A 56 56 LEU H H 56 7.935 7.646 0.289 1
1 637 . 9 1 1 A 56 56 LEU HA H 56 4.071 4.090 -0.019 1
1 647 . 9 1 1 A 56 56 LEU C C 56 180.037 178.029 2.008 1
1 648 . 9 1 1 A 56 56 LEU CA C 56 57.698 57.463 0.235 1
1 649 . 9 1 1 A 56 56 LEU CB C 56 41.586 42.241 -0.655 1
1 653 . 9 1 1 A 56 56 LEU N N 56 119.661 120.610 -0.949 1
1 654 . 9 1 1 A 57 57 LEU H H 57 7.382 7.885 -0.503 1
1 655 . 9 1 1 A 57 57 LEU HA H 57 3.575 3.634 -0.059 1
1 665 . 9 1 1 A 57 57 LEU C C 57 178.470 178.198 0.272 1
1 666 . 9 1 1 A 57 57 LEU CA C 57 57.703 58.175 -0.472 1
1 667 . 9 1 1 A 57 57 LEU CB C 57 42.077 41.536 0.541 1
1 671 . 9 1 1 A 57 57 LEU N N 57 119.857 119.916 -0.059 1
1 672 . 9 1 1 A 58 58 ARG H H 58 8.118 8.563 -0.445 1
1 673 . 9 1 1 A 58 58 ARG HA H 58 3.338 3.838 -0.500 1
1 680 . 9 1 1 A 58 58 ARG C C 58 179.713 178.660 1.053 1
1 681 . 9 1 1 A 58 58 ARG CA C 58 60.120 59.588 0.532 1
1 682 . 9 1 1 A 58 58 ARG CB C 58 30.320 29.852 0.468 1
1 685 . 9 1 1 A 58 58 ARG N N 58 118.198 117.845 0.353 1
1 686 . 9 1 1 A 59 59 ASP H H 59 8.748 7.989 0.759 1
1 687 . 9 1 1 A 59 59 ASP HA H 59 4.336 4.274 0.062 1
1 690 . 9 1 1 A 59 59 ASP C C 59 179.130 178.018 1.112 1
1 691 . 9 1 1 A 59 59 ASP CA C 59 57.197 57.595 -0.398 1
1 692 . 9 1 1 A 59 59 ASP CB C 59 40.212 41.850 -1.638 1
1 693 . 9 1 1 A 59 59 ASP N N 59 119.165 119.751 -0.586 1
1 694 . 9 1 1 A 60 60 SER H H 60 7.552 8.177 -0.625 1
1 695 . 9 1 1 A 60 60 SER HA H 60 4.116 4.156 -0.040 1
1 698 . 9 1 1 A 60 60 SER C C 60 175.883 177.268 -1.385 1
1 699 . 9 1 1 A 60 60 SER CA C 60 61.975 61.259 0.716 1
1 700 . 9 1 1 A 60 60 SER CB C 60 63.098 61.865 1.233 1
1 701 . 9 1 1 A 60 60 SER N N 60 117.761 115.136 2.625 1
1 702 . 9 1 1 A 61 61 PHE H H 61 7.063 7.437 -0.374 1
1 703 . 9 1 1 A 61 61 PHE HA H 61 4.614 4.379 0.235 1
1 711 . 9 1 1 A 61 61 PHE C C 61 177.561 178.404 -0.843 1
1 712 . 9 1 1 A 61 61 PHE CA C 61 56.777 61.909 -5.132 1
1 713 . 9 1 1 A 61 61 PHE CB C 61 36.564 38.352 -1.788 1
1 719 . 9 1 1 A 61 61 PHE N N 61 122.009 119.110 2.899 1
1 720 . 9 1 1 A 62 62 GLN H H 62 7.376 8.315 -0.939 1
1 721 . 9 1 1 A 62 62 GLN HA H 62 4.038 4.012 0.026 1
1 726 . 9 1 1 A 62 62 GLN C C 62 179.093 178.928 0.165 1
1 727 . 9 1 1 A 62 62 GLN CA C 62 58.240 59.307 -1.067 1
1 728 . 9 1 1 A 62 62 GLN CB C 62 28.094 28.377 -0.283 1
1 730 . 9 1 1 A 62 62 GLN N N 62 114.929 118.516 -3.587 1
1 731 . 9 1 1 A 63 63 GLN H H 63 7.893 7.777 0.116 1
1 732 . 9 1 1 A 63 63 GLN HA H 63 4.083 4.215 -0.132 1
1 737 . 9 1 1 A 63 63 GLN C C 63 178.244 178.524 -0.280 1
1 738 . 9 1 1 A 63 63 GLN CA C 63 58.408 58.243 0.165 1
1 739 . 9 1 1 A 63 63 GLN CB C 63 28.755 28.524 0.231 1
1 741 . 9 1 1 A 63 63 GLN N N 63 117.434 120.119 -2.685 1
1 742 . 9 1 1 A 64 64 VAL H H 64 8.220 8.158 0.062 1
1 743 . 9 1 1 A 64 64 VAL HA H 64 3.663 4.113 -0.450 1
1 751 . 9 1 1 A 64 64 VAL C C 64 177.137 178.052 -0.915 1
1 752 . 9 1 1 A 64 64 VAL CA C 64 66.107 65.502 0.605 1
1 753 . 9 1 1 A 64 64 VAL CB C 64 31.475 31.588 -0.113 1
1 756 . 9 1 1 A 64 64 VAL N N 64 118.766 117.075 1.691 1
1 757 . 9 1 1 A 65 65 VAL H H 65 6.860 7.621 -0.761 1
1 758 . 9 1 1 A 65 65 VAL HA H 65 3.833 3.903 -0.070 1
1 766 . 9 1 1 A 65 65 VAL C C 65 177.624 177.935 -0.311 1
1 767 . 9 1 1 A 65 65 VAL CA C 65 64.200 64.694 -0.494 1
1 768 . 9 1 1 A 65 65 VAL CB C 65 31.730 31.724 0.006 1
1 771 . 9 1 1 A 65 65 VAL N N 65 112.590 122.263 -9.673 1
1 772 . 9 1 1 A 66 66 LYS H H 66 7.431 7.860 -0.429 1
1 773 . 9 1 1 A 66 66 LYS HA H 66 4.184 3.986 0.198 1
1 782 . 9 1 1 A 66 66 LYS C C 66 177.374 178.286 -0.912 1
1 783 . 9 1 1 A 66 66 LYS CA C 66 58.190 59.646 -1.456 1
1 784 . 9 1 1 A 66 66 LYS CB C 66 33.232 32.643 0.589 1
1 788 . 9 1 1 A 66 66 LYS N N 66 119.643 121.905 -2.262 1
1 789 . 9 1 1 A 67 67 LEU H H 67 7.859 8.174 -0.315 1
1 790 . 9 1 1 A 67 67 LEU HA H 67 4.552 4.323 0.229 1
1 800 . 9 1 1 A 67 67 LEU C C 67 175.532 175.922 -0.390 1
1 801 . 9 1 1 A 67 67 LEU CA C 67 53.108 55.152 -2.044 1
1 802 . 9 1 1 A 67 67 LEU CB C 67 40.979 41.769 -0.790 1
1 806 . 9 1 1 A 67 67 LEU N N 67 121.288 118.102 3.186 1
1 807 . 9 1 1 A 68 68 LYS H H 68 7.475 8.111 -0.636 1
1 808 . 9 1 1 A 68 68 LYS HA H 68 4.156 4.001 0.155 1
1 817 . 9 1 1 A 68 68 LYS C C 68 177.987 176.586 1.401 1
1 818 . 9 1 1 A 68 68 LYS CA C 68 58.388 57.426 0.962 1
1 819 . 9 1 1 A 68 68 LYS CB C 68 32.207 30.907 1.300 1
1 823 . 9 1 1 A 68 68 LYS N N 68 119.626 116.767 2.859 1
1 824 . 9 1 1 A 69 69 GLY H H 69 8.696 8.283 0.413 1
1 825 . 9 1 1 A 69 69 GLY HA2 H 69 4.294 4.068 0.226 1
1 826 . 9 1 1 A 69 69 GLY HA3 H 69 3.896 4.072 -0.176 1
1 827 . 9 1 1 A 69 69 GLY CA C 69 45.335 45.263 0.072 1
1 828 . 9 1 1 A 69 69 GLY N N 69 113.681 105.049 8.632 1
1 829 . 9 1 1 A 70 70 GLN H H 70 8.031 7.504 0.527 1
1 830 . 9 1 1 A 70 70 GLN HA H 70 4.508 4.266 0.242 1
1 835 . 9 1 1 A 70 70 GLN C C 70 174.684 175.205 -0.521 1
1 836 . 9 1 1 A 70 70 GLN CA C 70 55.347 56.556 -1.209 1
1 837 . 9 1 1 A 70 70 GLN CB C 70 30.111 29.452 0.659 1
1 839 . 9 1 1 A 70 70 GLN N N 70 119.949 121.849 -1.900 1
1 840 . 9 1 1 A 71 71 VAL H H 71 8.232 8.462 -0.230 1
1 841 . 9 1 1 A 71 71 VAL HA H 71 4.822 4.556 0.266 1
1 849 . 9 1 1 A 71 71 VAL C C 71 176.406 174.873 1.533 1
1 850 . 9 1 1 A 71 71 VAL CA C 71 61.198 62.389 -1.191 1
1 851 . 9 1 1 A 71 71 VAL CB C 71 32.964 32.786 0.178 1
1 854 . 9 1 1 A 71 71 VAL N N 71 121.816 126.829 -5.013 1
1 855 . 9 1 1 A 72 72 LEU H H 72 9.052 9.283 -0.231 1
1 856 . 9 1 1 A 72 72 LEU HA H 72 4.827 5.231 -0.404 1
1 865 . 9 1 1 A 72 72 LEU C C 72 175.411 175.513 -0.102 1
1 866 . 9 1 1 A 72 72 LEU CA C 72 52.895 53.284 -0.389 1
1 867 . 9 1 1 A 72 72 LEU CB C 72 44.755 45.204 -0.449 1
1 870 . 9 1 1 A 72 72 LEU N N 72 130.331 129.991 0.340 1
1 871 . 9 1 1 A 73 73 SER H H 73 8.057 9.075 -1.018 1
1 872 . 9 1 1 A 73 73 SER HA H 73 5.211 5.728 -0.517 1
1 875 . 9 1 1 A 73 73 SER C C 73 174.562 173.047 1.515 1
1 876 . 9 1 1 A 73 73 SER CA C 73 56.591 56.736 -0.145 1
1 877 . 9 1 1 A 73 73 SER CB C 73 66.336 64.880 1.456 1
1 878 . 9 1 1 A 73 73 SER N N 73 113.040 119.042 -6.002 1
1 879 . 9 1 1 A 74 74 VAL H H 74 8.799 8.699 0.100 1
1 880 . 9 1 1 A 74 74 VAL HA H 74 4.705 4.995 -0.290 1
1 888 . 9 1 1 A 74 74 VAL C C 74 174.122 173.995 0.127 1
1 889 . 9 1 1 A 74 74 VAL CA C 74 59.403 59.560 -0.157 1
1 890 . 9 1 1 A 74 74 VAL CB C 74 35.474 35.765 -0.291 1
1 893 . 9 1 1 A 74 74 VAL N N 74 122.721 122.188 0.533 1
1 894 . 9 1 1 A 75 75 MET H H 75 8.195 8.823 -0.628 1
1 895 . 9 1 1 A 75 75 MET HA H 75 5.922 6.083 -0.161 1
1 903 . 9 1 1 A 75 75 MET C C 75 175.531 175.635 -0.104 1
1 904 . 9 1 1 A 75 75 MET CA C 75 54.021 54.014 0.007 1
1 905 . 9 1 1 A 75 75 MET CB C 75 34.750 34.118 0.632 1
1 908 . 9 1 1 A 75 75 MET N N 75 120.057 123.691 -3.634 1
1 909 . 9 1 1 A 76 76 PHE H H 76 9.394 9.096 0.298 1
1 910 . 9 1 1 A 76 76 PHE HA H 76 5.004 5.129 -0.125 1
1 918 . 9 1 1 A 76 76 PHE C C 76 171.623 172.330 -0.707 1
1 919 . 9 1 1 A 76 76 PHE CA C 76 55.802 55.441 0.361 1
1 920 . 9 1 1 A 76 76 PHE CB C 76 42.072 41.887 0.185 1
1 926 . 9 1 1 A 76 76 PHE N N 76 120.244 119.976 0.268 1
1 927 . 9 1 1 A 77 77 ARG H H 77 8.783 8.227 0.556 1
1 928 . 9 1 1 A 77 77 ARG HA H 77 4.420 4.183 0.237 1
1 936 . 9 1 1 A 77 77 ARG C C 77 173.455 174.560 -1.105 1
1 937 . 9 1 1 A 77 77 ARG CA C 77 54.218 55.103 -0.885 1
1 938 . 9 1 1 A 77 77 ARG CB C 77 32.439 30.266 2.173 1
1 941 . 9 1 1 A 77 77 ARG N N 77 121.379 119.011 2.368 1
1 943 . 9 1 1 A 78 78 PHE H H 78 9.258 9.262 -0.004 1
1 944 . 9 1 1 A 78 78 PHE HA H 78 5.438 5.206 0.232 1
1 952 . 9 1 1 A 78 78 PHE C C 78 175.873 174.506 1.367 1
1 953 . 9 1 1 A 78 78 PHE CA C 78 55.173 56.851 -1.678 1
1 954 . 9 1 1 A 78 78 PHE CB C 78 44.530 39.948 4.582 1
1 960 . 9 1 1 A 78 78 PHE N N 78 128.097 126.428 1.669 1
1 961 . 9 1 1 A 79 79 ARG H H 79 9.242 8.819 0.423 1
1 962 . 9 1 1 A 79 79 ARG HA H 79 4.201 4.625 -0.424 1
1 969 . 9 1 1 A 79 79 ARG C C 79 175.316 176.416 -1.100 1
1 970 . 9 1 1 A 79 79 ARG CA C 79 55.255 56.583 -1.328 1
1 971 . 9 1 1 A 79 79 ARG CB C 79 29.358 30.376 -1.018 1
1 974 . 9 1 1 A 79 79 ARG N N 79 129.898 130.359 -0.461 1
1 975 . 9 1 1 A 80 80 SER H H 80 9.253 8.815 0.438 1
1 976 . 9 1 1 A 80 80 SER HA H 80 4.772 5.079 -0.307 1
1 979 . 9 1 1 A 80 80 SER C C 80 174.983 175.829 -0.846 1
1 980 . 9 1 1 A 80 80 SER CA C 80 58.191 58.106 0.085 1
1 981 . 9 1 1 A 80 80 SER CB C 80 64.930 64.773 0.157 1
1 982 . 9 1 1 A 80 80 SER N N 80 128.002 124.062 3.940 1
1 983 . 9 1 1 A 81 81 LYS H H 81 8.065 8.846 -0.781 1
1 984 . 9 1 1 A 81 81 LYS HA H 81 3.675 3.574 0.101 1
1 993 . 9 1 1 A 81 81 LYS C C 81 177.417 177.559 -0.142 1
1 994 . 9 1 1 A 81 81 LYS CA C 81 59.236 58.837 0.399 1
1 995 . 9 1 1 A 81 81 LYS CB C 81 31.641 31.971 -0.330 1
1 999 . 9 1 1 A 81 81 LYS N N 81 123.505 123.714 -0.209 1
1 1000 . 9 1 1 A 82 82 ASN H H 82 7.934 7.817 0.117 1
1 1001 . 9 1 1 A 82 82 ASN HA H 82 4.679 4.763 -0.084 1
1 1006 . 9 1 1 A 82 82 ASN C C 82 173.949 174.260 -0.311 1
1 1007 . 9 1 1 A 82 82 ASN CA C 82 52.764 52.748 0.016 1
1 1008 . 9 1 1 A 82 82 ASN CB C 82 37.428 38.500 -1.072 1
1 1009 . 9 1 1 A 82 82 ASN N N 82 115.202 114.350 0.852 1
1 1011 . 9 1 1 A 83 83 GLN H H 83 8.099 8.225 -0.126 1
1 1012 . 9 1 1 A 83 83 GLN HA H 83 3.382 3.773 -0.391 1
1 1019 . 9 1 1 A 83 83 GLN C C 83 174.208 173.980 0.228 1
1 1020 . 9 1 1 A 83 83 GLN CA C 83 56.400 56.881 -0.481 1
1 1021 . 9 1 1 A 83 83 GLN CB C 83 25.003 26.276 -1.273 1
1 1023 . 9 1 1 A 83 83 GLN N N 83 112.357 115.821 -3.464 1
1 1025 . 9 1 1 A 84 84 GLU H H 84 7.385 7.646 -0.261 1
1 1026 . 9 1 1 A 84 84 GLU HA H 84 4.322 4.733 -0.411 1
1 1031 . 9 1 1 A 84 84 GLU CA C 84 54.720 55.032 -0.312 1
1 1032 . 9 1 1 A 84 84 GLU CB C 84 31.713 32.168 -0.455 1
1 1034 . 9 1 1 A 84 84 GLU N N 84 117.557 117.075 0.482 1
1 1035 . 9 1 1 A 85 85 TRP H H 85 8.645 8.743 -0.098 1
1 1036 . 9 1 1 A 85 85 TRP HA H 85 5.145 4.807 0.338 1
1 1045 . 9 1 1 A 85 85 TRP C C 85 175.772 175.698 0.074 1
1 1046 . 9 1 1 A 85 85 TRP CA C 85 55.591 56.753 -1.162 1
1 1047 . 9 1 1 A 85 85 TRP CB C 85 30.113 27.942 2.171 1
1 1053 . 9 1 1 A 85 85 TRP N N 85 121.388 123.632 -2.244 1
1 1055 . 9 1 1 A 86 86 LEU H H 86 9.348 8.651 0.697 1
1 1056 . 9 1 1 A 86 86 LEU HA H 86 4.847 4.729 0.118 1
1 1066 . 9 1 1 A 86 86 LEU C C 86 176.991 176.508 0.483 1
1 1067 . 9 1 1 A 86 86 LEU CA C 86 53.102 54.748 -1.646 1
1 1068 . 9 1 1 A 86 86 LEU CB C 86 44.527 41.764 2.763 1
1 1071 . 9 1 1 A 86 86 LEU N N 86 126.537 125.509 1.028 1
1 1072 . 9 1 1 A 87 87 TRP H H 87 8.870 8.927 -0.057 1
1 1073 . 9 1 1 A 87 87 TRP HA H 87 4.465 4.968 -0.503 1
1 1082 . 9 1 1 A 87 87 TRP C C 87 175.731 176.936 -1.205 1
1 1083 . 9 1 1 A 87 87 TRP CA C 87 59.207 58.563 0.644 1
1 1084 . 9 1 1 A 87 87 TRP CB C 87 29.736 30.341 -0.605 1
1 1090 . 9 1 1 A 87 87 TRP N N 87 123.902 126.774 -2.872 1
1 1092 . 9 1 1 A 88 88 MET H H 88 9.432 9.109 0.323 1
1 1093 . 9 1 1 A 88 88 MET HA H 88 5.267 5.402 -0.135 1
1 1101 . 9 1 1 A 88 88 MET C C 88 174.713 174.379 0.334 1
1 1102 . 9 1 1 A 88 88 MET CA C 88 52.557 54.342 -1.785 1
1 1103 . 9 1 1 A 88 88 MET CB C 88 36.139 37.398 -1.259 1
1 1106 . 9 1 1 A 88 88 MET N N 88 123.412 121.360 2.052 1
1 1107 . 9 1 1 A 89 89 ARG H H 89 9.282 8.995 0.287 1
1 1108 . 9 1 1 A 89 89 ARG HA H 89 5.702 5.207 0.495 1
1 1115 . 9 1 1 A 89 89 ARG C C 89 177.137 175.709 1.428 1
1 1116 . 9 1 1 A 89 89 ARG CA C 89 54.266 54.711 -0.445 1
1 1117 . 9 1 1 A 89 89 ARG CB C 89 34.404 32.214 2.190 1
1 1120 . 9 1 1 A 89 89 ARG N N 89 119.570 121.250 -1.680 1
1 1121 . 9 1 1 A 90 90 THR H H 90 9.298 9.147 0.151 1
1 1122 . 9 1 1 A 90 90 THR HA H 90 5.625 5.301 0.324 1
1 1127 . 9 1 1 A 90 90 THR C C 90 176.787 174.454 2.333 1
1 1128 . 9 1 1 A 90 90 THR CA C 90 60.327 60.484 -0.157 1
1 1129 . 9 1 1 A 90 90 THR CB C 90 72.187 70.393 1.794 1
1 1131 . 9 1 1 A 90 90 THR N N 90 115.133 117.633 -2.500 1
1 1132 . 9 1 1 A 91 91 SER H H 91 8.194 8.790 -0.596 1
1 1133 . 9 1 1 A 91 91 SER HA H 91 4.860 5.162 -0.302 1
1 1136 . 9 1 1 A 91 91 SER C C 91 175.171 173.315 1.856 1
1 1137 . 9 1 1 A 91 91 SER CA C 91 59.224 57.159 2.065 1
1 1138 . 9 1 1 A 91 91 SER CB C 91 64.094 63.155 0.939 1
1 1139 . 9 1 1 A 91 91 SER N N 91 114.043 121.249 -7.206 1
1 1140 . 9 1 1 A 92 92 SER H H 92 9.864 8.088 1.776 1
1 1141 . 9 1 1 A 92 92 SER HA H 92 6.204 5.046 1.158 1
1 1144 . 9 1 1 A 92 92 SER C C 92 171.748 174.167 -2.419 1
1 1145 . 9 1 1 A 92 92 SER CA C 92 58.818 59.761 -0.943 1
1 1146 . 9 1 1 A 92 92 SER CB C 92 66.419 63.929 2.490 1
1 1147 . 9 1 1 A 92 92 SER N N 92 125.442 121.645 3.797 1
1 1148 . 9 1 1 A 93 93 GLN H H 93 8.873 8.747 0.126 1
1 1149 . 9 1 1 A 93 93 GLN HA H 93 5.048 5.083 -0.035 1
1 1156 . 9 1 1 A 93 93 GLN C C 93 174.145 174.535 -0.390 1
1 1157 . 9 1 1 A 93 93 GLN CA C 93 54.262 54.514 -0.252 1
1 1158 . 9 1 1 A 93 93 GLN CB C 93 33.131 32.727 0.404 1
1 1160 . 9 1 1 A 93 93 GLN N N 93 117.328 122.307 -4.979 1
1 1162 . 9 1 1 A 94 94 THR H H 94 8.846 8.582 0.264 1
1 1163 . 9 1 1 A 94 94 THR HA H 94 3.979 4.600 -0.621 1
1 1168 . 9 1 1 A 94 94 THR C C 94 174.677 174.564 0.113 1
1 1169 . 9 1 1 A 94 94 THR CA C 94 64.467 62.617 1.850 1
1 1170 . 9 1 1 A 94 94 THR CB C 94 68.894 69.058 -0.164 1
1 1172 . 9 1 1 A 94 94 THR N N 94 116.526 112.789 3.737 1
1 1173 . 9 1 1 A 95 95 ALA H H 95 8.188 8.342 -0.154 1
1 1174 . 9 1 1 A 95 95 ALA HA H 95 4.161 4.247 -0.086 1
1 1178 . 9 1 1 A 95 95 ALA C C 95 176.285 176.821 -0.536 1
1 1179 . 9 1 1 A 95 95 ALA CA C 95 51.847 52.374 -0.527 1
1 1180 . 9 1 1 A 95 95 ALA CB C 95 18.999 19.921 -0.922 1
1 1181 . 9 1 1 A 95 95 ALA N N 95 126.311 128.148 -1.837 1
1 1182 . 9 1 1 A 96 96 GLN H H 96 8.324 8.600 -0.276 1
1 1183 . 9 1 1 A 96 96 GLN HA H 96 4.175 4.627 -0.452 1
1 1190 . 9 1 1 A 96 96 GLN C C 96 176.230 175.188 1.042 1
1 1191 . 9 1 1 A 96 96 GLN CA C 96 54.621 54.990 -0.369 1
1 1192 . 9 1 1 A 96 96 GLN CB C 96 30.003 30.588 -0.585 1
1 1194 . 9 1 1 A 96 96 GLN N N 96 116.920 118.006 -1.086 1
1 1196 . 9 1 1 A 97 97 ASN H H 97 8.512 8.548 -0.036 1
1 1197 . 9 1 1 A 97 97 ASN HA H 97 4.436 4.509 -0.073 1
1 1200 . 9 1 1 A 97 97 ASN CA C 97 52.928 51.285 1.643 1
1 1201 . 9 1 1 A 97 97 ASN CB C 97 37.851 38.854 -1.003 1
1 1202 . 9 1 1 A 97 97 ASN N N 97 119.656 123.432 -3.776 1
1 1203 . 9 1 1 A 98 98 PRO HA H 98 4.566 4.414 0.152 1
1 1210 . 9 1 1 A 98 98 PRO C C 98 175.164 175.598 -0.434 1
1 1211 . 9 1 1 A 98 98 PRO CA C 98 63.824 63.684 0.140 1
1 1212 . 9 1 1 A 98 98 PRO CB C 98 32.473 32.645 -0.172 1
1 1215 . 9 1 1 A 99 99 TYR H H 99 8.780 7.111 1.669 1
1 1216 . 9 1 1 A 99 99 TYR HA H 99 4.996 4.802 0.194 1
1 1223 . 9 1 1 A 99 99 TYR C C 99 176.421 176.470 -0.049 1
1 1224 . 9 1 1 A 99 99 TYR CA C 99 55.837 57.172 -1.335 1
1 1225 . 9 1 1 A 99 99 TYR CB C 99 37.199 38.055 -0.856 1
1 1230 . 9 1 1 A 99 99 TYR N N 99 127.975 118.350 9.625 1
1 1231 . 9 1 1 A 100 100 SER H H 100 7.655 8.184 -0.529 1
1 1232 . 9 1 1 A 100 100 SER HA H 100 4.274 4.740 -0.466 1
1 1235 . 9 1 1 A 100 100 SER C C 100 174.144 175.801 -1.657 1
1 1236 . 9 1 1 A 100 100 SER CA C 100 60.567 61.212 -0.645 1
1 1237 . 9 1 1 A 100 100 SER CB C 100 63.266 62.515 0.751 1
1 1238 . 9 1 1 A 100 100 SER N N 100 113.164 116.048 -2.884 1
1 1239 . 9 1 1 A 101 101 ASP H H 101 8.736 8.473 0.263 1
1 1240 . 9 1 1 A 101 101 ASP HA H 101 4.688 4.507 0.181 1
1 1243 . 9 1 1 A 101 101 ASP C C 101 175.535 177.037 -1.502 1
1 1244 . 9 1 1 A 101 101 ASP CA C 101 54.103 55.345 -1.242 1
1 1245 . 9 1 1 A 101 101 ASP CB C 101 40.098 39.621 0.477 1
1 1246 . 9 1 1 A 101 101 ASP N N 101 118.476 118.934 -0.458 1
1 1247 . 9 1 1 A 102 102 GLU H H 102 8.127 8.528 -0.401 1
1 1248 . 9 1 1 A 102 102 GLU HA H 102 4.448 4.689 -0.241 1
1 1253 . 9 1 1 A 102 102 GLU CA C 102 54.963 55.750 -0.787 1
1 1254 . 9 1 1 A 102 102 GLU CB C 102 31.769 31.571 0.198 1
1 1256 . 9 1 1 A 102 102 GLU N N 102 119.744 119.553 0.191 1
1 1257 . 9 1 1 A 103 103 ILE H H 103 8.645 8.316 0.329 1
1 1258 . 9 1 1 A 103 103 ILE HA H 103 4.001 4.726 -0.725 1
1 1268 . 9 1 1 A 103 103 ILE C C 103 174.065 174.558 -0.493 1
1 1269 . 9 1 1 A 103 103 ILE CA C 103 60.418 60.860 -0.442 1
1 1270 . 9 1 1 A 103 103 ILE CB C 103 40.781 40.801 -0.020 1
1 1274 . 9 1 1 A 103 103 ILE N N 103 121.388 120.427 0.961 1
1 1275 . 9 1 1 A 104 104 GLU H H 104 8.957 9.158 -0.201 1
1 1276 . 9 1 1 A 104 104 GLU HA H 104 5.099 4.564 0.535 1
1 1281 . 9 1 1 A 104 104 GLU C C 104 175.093 175.331 -0.238 1
1 1282 . 9 1 1 A 104 104 GLU CA C 104 54.898 56.052 -1.154 1
1 1283 . 9 1 1 A 104 104 GLU CB C 104 32.330 30.137 2.193 1
1 1285 . 9 1 1 A 104 104 GLU N N 104 125.935 128.449 -2.514 1
1 1286 . 9 1 1 A 105 105 THR H H 105 8.774 8.807 -0.033 1
1 1287 . 9 1 1 A 105 105 THR HA H 105 5.226 4.923 0.303 1
1 1292 . 9 1 1 A 105 105 THR C C 105 174.876 173.750 1.126 1
1 1293 . 9 1 1 A 105 105 THR CA C 105 61.469 62.217 -0.748 1
1 1294 . 9 1 1 A 105 105 THR CB C 105 70.382 69.961 0.421 1
1 1296 . 9 1 1 A 105 105 THR N N 105 127.200 121.170 6.030 1
1 1297 . 9 1 1 A 106 106 ILE H H 106 9.186 8.947 0.239 1
1 1298 . 9 1 1 A 106 106 ILE HA H 106 4.486 4.600 -0.114 1
1 1308 . 9 1 1 A 106 106 ILE C C 106 175.412 175.166 0.246 1
1 1309 . 9 1 1 A 106 106 ILE CA C 106 61.423 60.482 0.941 1
1 1310 . 9 1 1 A 106 106 ILE CB C 106 38.432 37.680 0.752 1
1 1313 . 9 1 1 A 106 106 ILE N N 106 107.991 128.275 -20.284 1
1 1314 . 9 1 1 A 107 107 ILE H H 107 8.431 8.342 0.089 1
1 1315 . 9 1 1 A 107 107 ILE HA H 107 4.239 4.470 -0.231 1
1 1325 . 9 1 1 A 107 107 ILE C C 107 173.805 174.475 -0.670 1
1 1326 . 9 1 1 A 107 107 ILE CA C 107 61.459 60.854 0.605 1
1 1327 . 9 1 1 A 107 107 ILE CB C 107 37.499 36.773 0.726 1
1 1331 . 9 1 1 A 107 107 ILE N N 107 129.202 128.196 1.006 1
1 1332 . 9 1 1 A 108 108 CYS H H 108 8.581 9.207 -0.626 1
1 1333 . 9 1 1 A 108 108 CYS HA H 108 5.298 5.015 0.283 1
1 1336 . 9 1 1 A 108 108 CYS C C 108 174.235 174.029 0.206 1
1 1337 . 9 1 1 A 108 108 CYS CA C 108 55.861 56.935 -1.074 1
1 1338 . 9 1 1 A 108 108 CYS CB C 108 31.110 30.557 0.553 1
1 1339 . 9 1 1 A 108 108 CYS N N 108 124.561 127.906 -3.345 1
1 1340 . 9 1 1 A 109 109 THR H H 109 8.701 8.482 0.219 1
1 1341 . 9 1 1 A 109 109 THR HA H 109 4.733 4.484 0.249 1
1 1346 . 9 1 1 A 109 109 THR C C 109 174.927 175.006 -0.079 1
1 1347 . 9 1 1 A 109 109 THR CA C 109 63.466 62.316 1.150 1
1 1348 . 9 1 1 A 109 109 THR CB C 109 69.636 69.855 -0.219 1
1 1350 . 9 1 1 A 109 109 THR N N 109 119.017 118.284 0.733 1
1 1351 . 9 1 1 A 110 110 ASN H H 110 8.527 9.072 -0.545 1
1 1352 . 9 1 1 A 110 110 ASN HA H 110 4.891 4.874 0.017 1
1 1357 . 9 1 1 A 110 110 ASN C C 110 174.829 175.875 -1.046 1
1 1358 . 9 1 1 A 110 110 ASN CA C 110 53.104 54.930 -1.826 1
1 1359 . 9 1 1 A 110 110 ASN CB C 110 39.813 39.522 0.291 1
1 1360 . 9 1 1 A 110 110 ASN N N 110 122.861 122.487 0.374 1
1 1362 . 9 1 1 A 111 111 THR H H 111 8.159 8.188 -0.029 1
1 1363 . 9 1 1 A 111 111 THR HA H 111 4.407 4.615 -0.208 1
1 1368 . 9 1 1 A 111 111 THR C C 111 174.189 174.372 -0.183 1
1 1369 . 9 1 1 A 111 111 THR CA C 111 61.900 63.061 -1.161 1
1 1370 . 9 1 1 A 111 111 THR CB C 111 69.400 69.586 -0.186 1
1 1372 . 9 1 1 A 111 111 THR N N 111 114.879 112.739 2.140 1
1 1373 . 9 1 1 A 112 112 ASN H H 112 8.359 8.135 0.224 1
1 1374 . 9 1 1 A 112 112 ASN N N 112 121.000 119.446 1.554 1
1 1375 . 9 1 1 A 117 117 SER C C 117 174.242 173.845 0.397 1
1 1376 . 9 1 1 A 117 117 SER CA C 117 58.557 58.528 0.029 1
1 1377 . 9 1 1 A 117 117 SER CB C 117 63.729 64.690 -0.961 1
1 1378 . 9 1 1 A 118 118 GLN H H 118 8.304 7.936 0.368 1
1 1379 . 9 1 1 A 118 118 GLN C C 118 174.889 173.187 1.702 1
1 1380 . 9 1 1 A 118 118 GLN CA C 118 55.764 54.774 0.990 1
1 1381 . 9 1 1 A 118 118 GLN CB C 118 29.659 31.879 -2.220 1
1 1382 . 9 1 1 A 118 118 GLN N N 118 122.171 116.908 5.263 1
1 1 . 10 1 1 A 2 2 ALA HA H 2 4.298 4.896 -0.598 1
1 5 . 10 1 1 A 2 2 ALA CA C 2 53.448 50.618 2.830 1
1 6 . 10 1 1 A 2 2 ALA CB C 2 19.236 21.087 -1.851 1
1 7 . 10 1 1 A 3 3 MET H H 3 8.518 9.348 -0.830 1
1 12 . 10 1 1 A 3 3 MET N N 3 117.762 125.209 -7.447 1
1 13 . 10 1 1 A 4 4 ASP CA C 4 54.632 55.503 -0.871 1
1 14 . 10 1 1 A 4 4 ASP CB C 4 41.102 39.023 2.079 1
1 15 . 10 1 1 A 5 5 ASN H H 5 8.332 7.879 0.453 1
1 18 . 10 1 1 A 5 5 ASN CA C 5 53.361 55.747 -2.386 1
1 19 . 10 1 1 A 5 5 ASN CB C 5 38.775 38.773 0.002 1
1 20 . 10 1 1 A 5 5 ASN N N 5 118.200 115.789 2.411 1
1 22 . 10 1 1 A 6 6 VAL H H 6 7.939 7.730 0.209 1
1 23 . 10 1 1 A 6 6 VAL HA H 6 4.142 4.562 -0.420 1
1 31 . 10 1 1 A 6 6 VAL CA C 6 62.634 60.214 2.420 1
1 32 . 10 1 1 A 6 6 VAL CB C 6 32.598 35.457 -2.859 1
1 35 . 10 1 1 A 6 6 VAL N N 6 120.396 115.245 5.151 1
1 36 . 10 1 1 A 7 7 CYS H H 7 8.304 8.627 -0.323 1
1 37 . 10 1 1 A 7 7 CYS CA C 7 56.095 57.832 -1.737 1
1 38 . 10 1 1 A 7 7 CYS CB C 7 32.967 25.923 7.044 1
1 39 . 10 1 1 A 7 7 CYS N N 7 124.774 125.598 -0.824 1
1 40 . 10 1 1 A 9 9 PRO HA H 9 4.547 4.720 -0.173 1
1 46 . 10 1 1 A 9 9 PRO C C 9 176.493 175.709 0.784 1
1 47 . 10 1 1 A 9 9 PRO CA C 9 63.142 62.477 0.665 1
1 48 . 10 1 1 A 9 9 PRO CB C 9 32.554 32.886 -0.332 1
1 51 . 10 1 1 A 10 10 THR H H 10 8.368 8.739 -0.371 1
1 52 . 10 1 1 A 10 10 THR HA H 10 4.418 4.456 -0.038 1
1 57 . 10 1 1 A 10 10 THR C C 10 172.743 173.624 -0.881 1
1 58 . 10 1 1 A 10 10 THR CA C 10 61.197 62.922 -1.725 1
1 59 . 10 1 1 A 10 10 THR CB C 10 69.660 71.383 -1.723 1
1 61 . 10 1 1 A 10 10 THR N N 10 112.513 113.769 -1.256 1
1 62 . 10 1 1 A 11 11 GLU H H 11 7.813 7.924 -0.111 1
1 63 . 10 1 1 A 11 11 GLU HA H 11 5.549 5.119 0.430 1
1 68 . 10 1 1 A 11 11 GLU C C 11 173.062 174.172 -1.110 1
1 69 . 10 1 1 A 11 11 GLU CA C 11 53.855 55.494 -1.639 1
1 70 . 10 1 1 A 11 11 GLU CB C 11 33.820 32.810 1.010 1
1 72 . 10 1 1 A 11 11 GLU N N 11 119.491 116.374 3.117 1
1 73 . 10 1 1 A 12 12 PHE H H 12 8.198 8.822 -0.624 1
1 74 . 10 1 1 A 12 12 PHE HA H 12 5.014 5.885 -0.871 1
1 82 . 10 1 1 A 12 12 PHE C C 12 171.976 173.570 -1.594 1
1 83 . 10 1 1 A 12 12 PHE CA C 12 55.597 55.314 0.283 1
1 84 . 10 1 1 A 12 12 PHE CB C 12 42.384 42.114 0.270 1
1 90 . 10 1 1 A 12 12 PHE N N 12 111.146 117.197 -6.051 1
1 91 . 10 1 1 A 13 13 ILE H H 13 8.655 8.597 0.058 1
1 92 . 10 1 1 A 13 13 ILE HA H 13 4.165 4.417 -0.252 1
1 102 . 10 1 1 A 13 13 ILE C C 13 173.432 175.032 -1.600 1
1 103 . 10 1 1 A 13 13 ILE CA C 13 62.270 62.030 0.240 1
1 104 . 10 1 1 A 13 13 ILE CB C 13 39.957 36.957 3.000 1
1 108 . 10 1 1 A 13 13 ILE N N 13 121.427 124.589 -3.162 1
1 109 . 10 1 1 A 14 14 SER H H 14 8.034 8.925 -0.891 1
1 110 . 10 1 1 A 14 14 SER HA H 14 5.588 5.142 0.446 1
1 113 . 10 1 1 A 14 14 SER C C 14 173.429 173.507 -0.078 1
1 114 . 10 1 1 A 14 14 SER CA C 14 56.650 56.503 0.147 1
1 115 . 10 1 1 A 14 14 SER CB C 14 70.177 64.782 5.395 1
1 116 . 10 1 1 A 14 14 SER N N 14 121.358 123.650 -2.292 1
1 117 . 10 1 1 A 15 15 ARG H H 15 9.545 9.009 0.536 1
1 118 . 10 1 1 A 15 15 ARG HA H 15 5.826 4.802 1.024 1
1 126 . 10 1 1 A 15 15 ARG C C 15 176.042 175.693 0.349 1
1 127 . 10 1 1 A 15 15 ARG CA C 15 55.105 55.609 -0.504 1
1 128 . 10 1 1 A 15 15 ARG CB C 15 35.587 32.436 3.151 1
1 131 . 10 1 1 A 15 15 ARG N N 15 118.317 127.135 -8.818 1
1 133 . 10 1 1 A 16 16 HIS H H 16 8.730 8.242 0.488 1
1 134 . 10 1 1 A 16 16 HIS HA H 16 5.555 5.514 0.041 1
1 141 . 10 1 1 A 16 16 HIS C C 16 174.062 173.105 0.957 1
1 142 . 10 1 1 A 16 16 HIS CA C 16 54.057 54.463 -0.406 1
1 143 . 10 1 1 A 16 16 HIS CB C 16 31.334 31.238 0.096 1
1 146 . 10 1 1 A 16 16 HIS N N 16 117.425 117.174 0.251 1
1 148 . 10 1 1 A 17 17 ASN H H 17 8.201 8.831 -0.630 1
1 149 . 10 1 1 A 17 17 ASN HA H 17 4.897 4.890 0.007 1
1 154 . 10 1 1 A 17 17 ASN C C 17 178.263 175.659 2.604 1
1 155 . 10 1 1 A 17 17 ASN CA C 17 51.104 51.906 -0.802 1
1 156 . 10 1 1 A 17 17 ASN CB C 17 38.469 38.947 -0.478 1
1 157 . 10 1 1 A 17 17 ASN N N 17 116.276 118.013 -1.737 1
1 159 . 10 1 1 A 18 18 ILE H H 18 8.774 8.800 -0.026 1
1 160 . 10 1 1 A 18 18 ILE HA H 18 3.795 3.915 -0.120 1
1 170 . 10 1 1 A 18 18 ILE C C 18 174.851 177.761 -2.910 1
1 171 . 10 1 1 A 18 18 ILE CA C 18 64.399 64.047 0.352 1
1 172 . 10 1 1 A 18 18 ILE CB C 18 38.072 37.864 0.208 1
1 176 . 10 1 1 A 18 18 ILE N N 18 120.001 120.088 -0.087 1
1 177 . 10 1 1 A 19 19 GLU H H 19 7.213 7.854 -0.641 1
1 178 . 10 1 1 A 19 19 GLU HA H 19 4.225 4.120 0.105 1
1 183 . 10 1 1 A 19 19 GLU CA C 19 57.145 56.824 0.321 1
1 184 . 10 1 1 A 19 19 GLU CB C 19 29.878 29.834 0.044 1
1 186 . 10 1 1 A 19 19 GLU N N 19 116.538 119.915 -3.377 1
1 187 . 10 1 1 A 20 20 GLY H H 20 7.845 7.864 -0.019 1
1 188 . 10 1 1 A 20 20 GLY HA2 H 20 4.878 2.828 2.050 1
1 189 . 10 1 1 A 20 20 GLY HA3 H 20 2.886 3.655 -0.769 1
1 190 . 10 1 1 A 20 20 GLY C C 20 172.992 174.091 -1.099 1
1 191 . 10 1 1 A 20 20 GLY CA C 20 44.049 44.321 -0.272 1
1 192 . 10 1 1 A 20 20 GLY N N 20 104.883 106.170 -1.287 1
1 193 . 10 1 1 A 21 21 ILE H H 21 7.841 7.647 0.194 1
1 194 . 10 1 1 A 21 21 ILE HA H 21 3.995 4.078 -0.083 1
1 204 . 10 1 1 A 21 21 ILE C C 21 176.915 175.481 1.434 1
1 205 . 10 1 1 A 21 21 ILE CA C 21 60.302 61.839 -1.537 1
1 206 . 10 1 1 A 21 21 ILE CB C 21 36.111 37.989 -1.878 1
1 210 . 10 1 1 A 21 21 ILE N N 21 120.855 122.686 -1.831 1
1 211 . 10 1 1 A 22 22 PHE H H 22 8.896 8.604 0.292 1
1 212 . 10 1 1 A 22 22 PHE HA H 22 5.052 5.081 -0.029 1
1 220 . 10 1 1 A 22 22 PHE C C 22 177.971 176.209 1.762 1
1 221 . 10 1 1 A 22 22 PHE CA C 22 59.625 58.810 0.815 1
1 222 . 10 1 1 A 22 22 PHE CB C 22 39.984 38.982 1.002 1
1 228 . 10 1 1 A 22 22 PHE N N 22 125.849 128.444 -2.595 1
1 229 . 10 1 1 A 23 23 THR H H 23 9.771 8.823 0.948 1
1 230 . 10 1 1 A 23 23 THR HA H 23 4.403 4.513 -0.110 1
1 235 . 10 1 1 A 23 23 THR C C 23 175.589 174.573 1.016 1
1 236 . 10 1 1 A 23 23 THR CA C 23 61.611 62.280 -0.669 1
1 237 . 10 1 1 A 23 23 THR CB C 23 69.193 69.208 -0.015 1
1 239 . 10 1 1 A 23 23 THR N N 23 117.677 115.560 2.117 1
1 240 . 10 1 1 A 24 24 PHE H H 24 7.948 7.472 0.476 1
1 241 . 10 1 1 A 24 24 PHE HA H 24 4.483 4.812 -0.329 1
1 249 . 10 1 1 A 24 24 PHE C C 24 173.376 173.341 0.035 1
1 250 . 10 1 1 A 24 24 PHE CA C 24 59.142 58.322 0.820 1
1 251 . 10 1 1 A 24 24 PHE CB C 24 42.161 42.434 -0.273 1
1 257 . 10 1 1 A 24 24 PHE N N 24 123.378 121.269 2.109 1
1 258 . 10 1 1 A 25 25 VAL H H 25 7.340 7.374 -0.034 1
1 259 . 10 1 1 A 25 25 VAL HA H 25 4.166 4.277 -0.111 1
1 267 . 10 1 1 A 25 25 VAL C C 25 173.103 173.494 -0.391 1
1 268 . 10 1 1 A 25 25 VAL CA C 25 61.539 60.376 1.163 1
1 269 . 10 1 1 A 25 25 VAL CB C 25 35.683 35.084 0.599 1
1 272 . 10 1 1 A 25 25 VAL N N 25 124.777 123.609 1.168 1
1 273 . 10 1 1 A 26 26 ASP H H 26 7.942 8.411 -0.469 1
1 274 . 10 1 1 A 26 26 ASP HA H 26 4.466 4.559 -0.093 1
1 277 . 10 1 1 A 26 26 ASP C C 26 175.258 177.286 -2.028 1
1 278 . 10 1 1 A 26 26 ASP CA C 26 53.318 54.373 -1.055 1
1 279 . 10 1 1 A 26 26 ASP CB C 26 42.461 42.379 0.082 1
1 280 . 10 1 1 A 26 26 ASP N N 26 125.573 126.497 -0.924 1
1 281 . 10 1 1 A 27 27 HIS H H 27 8.115 8.927 -0.812 1
1 282 . 10 1 1 A 27 27 HIS HA H 27 4.222 4.111 0.111 1
1 286 . 10 1 1 A 27 27 HIS C C 27 177.268 176.496 0.772 1
1 287 . 10 1 1 A 27 27 HIS CA C 27 59.164 58.736 0.428 1
1 288 . 10 1 1 A 27 27 HIS CB C 27 30.374 29.236 1.138 1
1 290 . 10 1 1 A 27 27 HIS N N 27 117.576 123.568 -5.992 1
1 291 . 10 1 1 A 28 28 ARG H H 28 8.724 8.113 0.611 1
1 292 . 10 1 1 A 28 28 ARG HA H 28 4.210 3.645 0.565 1
1 300 . 10 1 1 A 28 28 ARG C C 28 177.838 179.029 -1.191 1
1 301 . 10 1 1 A 28 28 ARG CA C 28 58.199 59.300 -1.101 1
1 302 . 10 1 1 A 28 28 ARG CB C 28 29.815 29.537 0.278 1
1 305 . 10 1 1 A 28 28 ARG N N 28 122.414 120.576 1.838 1
1 307 . 10 1 1 A 29 29 CYS H H 29 8.102 8.189 -0.087 1
1 308 . 10 1 1 A 29 29 CYS HA H 29 3.124 3.134 -0.010 1
1 311 . 10 1 1 A 29 29 CYS C C 29 175.551 177.119 -1.568 1
1 312 . 10 1 1 A 29 29 CYS CA C 29 59.988 60.862 -0.874 1
1 313 . 10 1 1 A 29 29 CYS CB C 29 25.101 26.268 -1.167 1
1 314 . 10 1 1 A 29 29 CYS N N 29 119.987 117.437 2.550 1
1 315 . 10 1 1 A 30 30 VAL H H 30 7.139 7.104 0.035 1
1 316 . 10 1 1 A 30 30 VAL HA H 30 3.373 3.635 -0.262 1
1 324 . 10 1 1 A 30 30 VAL C C 30 178.225 177.960 0.265 1
1 325 . 10 1 1 A 30 30 VAL CA C 30 65.903 64.568 1.335 1
1 326 . 10 1 1 A 30 30 VAL CB C 30 31.446 31.536 -0.090 1
1 329 . 10 1 1 A 30 30 VAL N N 30 125.016 119.752 5.264 1
1 330 . 10 1 1 A 31 31 ALA H H 31 7.393 7.689 -0.296 1
1 331 . 10 1 1 A 31 31 ALA HA H 31 4.126 4.094 0.032 1
1 335 . 10 1 1 A 31 31 ALA C C 31 178.111 179.780 -1.669 1
1 336 . 10 1 1 A 31 31 ALA CA C 31 53.715 54.371 -0.656 1
1 337 . 10 1 1 A 31 31 ALA CB C 31 19.223 18.486 0.737 1
1 338 . 10 1 1 A 31 31 ALA N N 31 120.554 124.120 -3.566 1
1 339 . 10 1 1 A 32 32 THR H H 32 7.253 7.801 -0.548 1
1 340 . 10 1 1 A 32 32 THR HA H 32 4.116 4.055 0.061 1
1 345 . 10 1 1 A 32 32 THR C C 32 175.655 176.027 -0.372 1
1 346 . 10 1 1 A 32 32 THR CA C 32 64.727 65.495 -0.768 1
1 347 . 10 1 1 A 32 32 THR CB C 32 69.144 69.294 -0.150 1
1 349 . 10 1 1 A 32 32 THR N N 32 109.150 113.603 -4.453 1
1 350 . 10 1 1 A 33 33 VAL H H 33 7.939 7.697 0.242 1
1 351 . 10 1 1 A 33 33 VAL HA H 33 4.504 4.664 -0.160 1
1 359 . 10 1 1 A 33 33 VAL C C 33 175.594 176.257 -0.663 1
1 360 . 10 1 1 A 33 33 VAL CA C 33 60.596 60.463 0.133 1
1 361 . 10 1 1 A 33 33 VAL CB C 33 34.900 31.409 3.491 1
1 364 . 10 1 1 A 33 33 VAL N N 33 108.519 113.166 -4.647 1
1 365 . 10 1 1 A 34 34 GLY H H 34 7.439 7.782 -0.343 1
1 366 . 10 1 1 A 34 34 GLY HA2 H 34 4.099 3.671 0.428 1
1 367 . 10 1 1 A 34 34 GLY HA3 H 34 3.846 3.778 0.068 1
1 368 . 10 1 1 A 34 34 GLY C C 34 173.655 173.574 0.081 1
1 369 . 10 1 1 A 34 34 GLY CA C 34 46.538 45.336 1.202 1
1 370 . 10 1 1 A 34 34 GLY N N 34 109.672 110.216 -0.544 1
1 371 . 10 1 1 A 35 35 TYR H H 35 6.215 7.554 -1.339 1
1 372 . 10 1 1 A 35 35 TYR HA H 35 4.415 4.410 0.005 1
1 379 . 10 1 1 A 35 35 TYR C C 35 174.492 175.323 -0.831 1
1 380 . 10 1 1 A 35 35 TYR CA C 35 57.289 58.892 -1.603 1
1 381 . 10 1 1 A 35 35 TYR CB C 35 40.784 38.145 2.639 1
1 386 . 10 1 1 A 35 35 TYR N N 35 117.067 119.876 -2.809 1
1 387 . 10 1 1 A 36 36 GLN H H 36 9.145 8.640 0.505 1
1 388 . 10 1 1 A 36 36 GLN HA H 36 4.285 4.231 0.054 1
1 393 . 10 1 1 A 36 36 GLN CA C 36 53.760 54.582 -0.822 1
1 394 . 10 1 1 A 36 36 GLN CB C 36 27.558 28.459 -0.901 1
1 396 . 10 1 1 A 36 36 GLN N N 36 117.664 124.170 -6.506 1
1 397 . 10 1 1 A 37 37 PRO HA H 37 3.755 4.027 -0.272 1
1 404 . 10 1 1 A 37 37 PRO C C 37 178.629 178.203 0.426 1
1 405 . 10 1 1 A 37 37 PRO CA C 37 66.415 65.813 0.602 1
1 406 . 10 1 1 A 37 37 PRO CB C 37 31.313 31.662 -0.349 1
1 409 . 10 1 1 A 38 38 GLN H H 38 8.870 8.795 0.075 1
1 410 . 10 1 1 A 38 38 GLN HA H 38 3.996 4.071 -0.075 1
1 415 . 10 1 1 A 38 38 GLN C C 38 177.121 177.747 -0.626 1
1 416 . 10 1 1 A 38 38 GLN CA C 38 58.468 58.709 -0.241 1
1 417 . 10 1 1 A 38 38 GLN CB C 38 27.259 27.692 -0.433 1
1 419 . 10 1 1 A 38 38 GLN N N 38 113.031 115.338 -2.307 1
1 420 . 10 1 1 A 39 39 GLU H H 39 7.799 7.855 -0.056 1
1 421 . 10 1 1 A 39 39 GLU HA H 39 4.203 4.242 -0.039 1
1 426 . 10 1 1 A 39 39 GLU C C 39 175.485 177.492 -2.007 1
1 427 . 10 1 1 A 39 39 GLU CA C 39 57.598 58.559 -0.961 1
1 428 . 10 1 1 A 39 39 GLU CB C 39 30.955 29.628 1.327 1
1 430 . 10 1 1 A 39 39 GLU N N 39 117.366 119.789 -2.423 1
1 431 . 10 1 1 A 40 40 LEU H H 40 7.001 7.296 -0.295 1
1 432 . 10 1 1 A 40 40 LEU HA H 40 4.205 4.546 -0.341 1
1 442 . 10 1 1 A 40 40 LEU C C 40 176.417 177.405 -0.988 1
1 443 . 10 1 1 A 40 40 LEU CA C 40 55.345 55.688 -0.343 1
1 444 . 10 1 1 A 40 40 LEU CB C 40 43.190 43.339 -0.149 1
1 448 . 10 1 1 A 40 40 LEU N N 40 116.615 118.328 -1.713 1
1 449 . 10 1 1 A 41 41 LEU H H 41 7.521 7.898 -0.377 1
1 450 . 10 1 1 A 41 41 LEU HA H 41 3.678 4.394 -0.716 1
1 460 . 10 1 1 A 41 41 LEU C C 41 177.754 177.968 -0.214 1
1 461 . 10 1 1 A 41 41 LEU CA C 41 57.050 57.312 -0.262 1
1 462 . 10 1 1 A 41 41 LEU CB C 41 42.155 41.626 0.529 1
1 466 . 10 1 1 A 41 41 LEU N N 41 117.814 120.849 -3.035 1
1 467 . 10 1 1 A 42 42 GLY H H 42 8.535 9.316 -0.781 1
1 468 . 10 1 1 A 42 42 GLY HA2 H 42 4.328 4.013 0.315 1
1 469 . 10 1 1 A 42 42 GLY HA3 H 42 3.601 4.013 -0.412 1
1 470 . 10 1 1 A 42 42 GLY C C 42 173.808 173.867 -0.059 1
1 471 . 10 1 1 A 42 42 GLY CA C 42 45.689 45.260 0.429 1
1 472 . 10 1 1 A 42 42 GLY N N 42 110.496 111.921 -1.425 1
1 473 . 10 1 1 A 43 43 LYS H H 43 8.398 8.156 0.242 1
1 474 . 10 1 1 A 43 43 LYS HA H 43 4.680 4.588 0.092 1
1 483 . 10 1 1 A 43 43 LYS C C 43 173.943 175.497 -1.554 1
1 484 . 10 1 1 A 43 43 LYS CA C 43 54.361 54.617 -0.256 1
1 485 . 10 1 1 A 43 43 LYS CB C 43 33.960 34.257 -0.297 1
1 489 . 10 1 1 A 43 43 LYS N N 43 120.461 120.773 -0.312 1
1 490 . 10 1 1 A 44 44 ASN H H 44 8.892 8.148 0.744 1
1 491 . 10 1 1 A 44 44 ASN HA H 44 4.690 4.611 0.079 1
1 496 . 10 1 1 A 44 44 ASN C C 44 176.922 175.684 1.238 1
1 497 . 10 1 1 A 44 44 ASN CA C 44 52.256 53.291 -1.035 1
1 498 . 10 1 1 A 44 44 ASN CB C 44 40.451 39.590 0.861 1
1 499 . 10 1 1 A 44 44 ASN N N 44 119.869 121.927 -2.058 1
1 501 . 10 1 1 A 45 45 ILE H H 45 8.543 8.262 0.281 1
1 502 . 10 1 1 A 45 45 ILE HA H 45 3.887 3.637 0.250 1
1 511 . 10 1 1 A 45 45 ILE C C 45 176.137 177.080 -0.943 1
1 512 . 10 1 1 A 45 45 ILE CA C 45 65.116 64.409 0.707 1
1 513 . 10 1 1 A 45 45 ILE CB C 45 36.637 37.584 -0.947 1
1 517 . 10 1 1 A 45 45 ILE N N 45 129.131 127.429 1.702 1
1 518 . 10 1 1 A 46 46 VAL H H 46 9.059 7.365 1.694 1
1 519 . 10 1 1 A 46 46 VAL HA H 46 3.439 3.720 -0.281 1
1 527 . 10 1 1 A 46 46 VAL C C 46 178.407 178.181 0.226 1
1 528 . 10 1 1 A 46 46 VAL CA C 46 65.705 65.452 0.253 1
1 529 . 10 1 1 A 46 46 VAL CB C 46 31.022 31.139 -0.117 1
1 532 . 10 1 1 A 46 46 VAL N N 46 118.981 117.998 0.983 1
1 533 . 10 1 1 A 47 47 GLU H H 47 7.923 8.376 -0.453 1
1 534 . 10 1 1 A 47 47 GLU HA H 47 3.989 3.900 0.089 1
1 539 . 10 1 1 A 47 47 GLU C C 47 177.664 178.829 -1.165 1
1 540 . 10 1 1 A 47 47 GLU CA C 47 57.999 59.230 -1.231 1
1 541 . 10 1 1 A 47 47 GLU CB C 47 28.849 29.097 -0.248 1
1 543 . 10 1 1 A 47 47 GLU N N 47 117.733 121.535 -3.802 1
1 544 . 10 1 1 A 48 48 PHE H H 48 7.689 7.490 0.199 1
1 545 . 10 1 1 A 48 48 PHE HA H 48 4.177 4.224 -0.047 1
1 553 . 10 1 1 A 48 48 PHE C C 48 172.739 175.879 -3.140 1
1 554 . 10 1 1 A 48 48 PHE CA C 48 57.725 59.953 -2.228 1
1 555 . 10 1 1 A 48 48 PHE CB C 48 39.428 39.215 0.213 1
1 561 . 10 1 1 A 48 48 PHE N N 48 117.768 115.779 1.989 1
1 562 . 10 1 1 A 49 49 CYS H H 49 7.413 7.328 0.085 1
1 563 . 10 1 1 A 49 49 CYS HA H 49 5.671 5.032 0.639 1
1 566 . 10 1 1 A 49 49 CYS CA C 49 56.429 60.093 -3.664 1
1 567 . 10 1 1 A 49 49 CYS CB C 49 28.747 28.057 0.690 1
1 568 . 10 1 1 A 49 49 CYS N N 49 119.705 118.180 1.525 1
1 569 . 10 1 1 A 50 50 HIS H H 50 8.640 8.624 0.016 1
1 570 . 10 1 1 A 50 50 HIS HA H 50 3.655 4.011 -0.356 1
1 574 . 10 1 1 A 50 50 HIS CA C 50 56.934 54.821 2.113 1
1 575 . 10 1 1 A 50 50 HIS CB C 50 32.071 30.241 1.830 1
1 577 . 10 1 1 A 50 50 HIS N N 50 134.180 124.913 9.267 1
1 578 . 10 1 1 A 51 51 PRO HA H 51 4.044 4.144 -0.100 1
1 584 . 10 1 1 A 51 51 PRO C C 51 179.121 178.873 0.248 1
1 585 . 10 1 1 A 51 51 PRO CA C 51 65.989 66.129 -0.140 1
1 586 . 10 1 1 A 51 51 PRO CB C 51 32.605 31.620 0.985 1
1 589 . 10 1 1 A 52 52 GLU H H 52 10.986 8.644 2.342 1
1 590 . 10 1 1 A 52 52 GLU HA H 52 4.125 4.125 0.000 1
1 595 . 10 1 1 A 52 52 GLU C C 52 177.643 177.289 0.354 1
1 596 . 10 1 1 A 52 52 GLU CA C 52 58.522 58.984 -0.462 1
1 597 . 10 1 1 A 52 52 GLU CB C 52 29.347 28.925 0.422 1
1 599 . 10 1 1 A 52 52 GLU N N 52 119.351 117.752 1.599 1
1 600 . 10 1 1 A 53 53 ASP H H 53 8.203 8.145 0.058 1
1 601 . 10 1 1 A 53 53 ASP HA H 53 4.898 4.652 0.246 1
1 604 . 10 1 1 A 53 53 ASP C C 53 175.641 177.236 -1.595 1
1 605 . 10 1 1 A 53 53 ASP CA C 53 54.092 54.664 -0.572 1
1 606 . 10 1 1 A 53 53 ASP CB C 53 43.596 41.817 1.779 1
1 607 . 10 1 1 A 53 53 ASP N N 53 117.757 117.855 -0.098 1
1 608 . 10 1 1 A 54 54 GLN H H 54 6.922 8.065 -1.143 1
1 609 . 10 1 1 A 54 54 GLN HA H 54 3.985 3.957 0.028 1
1 616 . 10 1 1 A 54 54 GLN C C 54 177.417 178.734 -1.317 1
1 617 . 10 1 1 A 54 54 GLN CA C 54 60.084 58.946 1.138 1
1 618 . 10 1 1 A 54 54 GLN CB C 54 28.448 28.273 0.175 1
1 620 . 10 1 1 A 54 54 GLN N N 54 118.680 119.504 -0.824 1
1 622 . 10 1 1 A 55 55 GLN H H 55 8.663 7.961 0.702 1
1 623 . 10 1 1 A 55 55 GLN HA H 55 3.778 4.046 -0.268 1
1 630 . 10 1 1 A 55 55 GLN C C 55 177.398 178.112 -0.714 1
1 631 . 10 1 1 A 55 55 GLN CA C 55 58.812 58.528 0.284 1
1 632 . 10 1 1 A 55 55 GLN CB C 55 27.402 28.486 -1.084 1
1 634 . 10 1 1 A 55 55 GLN N N 55 119.173 120.126 -0.953 1
1 636 . 10 1 1 A 56 56 LEU H H 56 7.935 7.584 0.351 1
1 637 . 10 1 1 A 56 56 LEU HA H 56 4.071 4.089 -0.018 1
1 647 . 10 1 1 A 56 56 LEU C C 56 180.037 178.027 2.010 1
1 648 . 10 1 1 A 56 56 LEU CA C 56 57.698 57.462 0.236 1
1 649 . 10 1 1 A 56 56 LEU CB C 56 41.586 42.238 -0.652 1
1 653 . 10 1 1 A 56 56 LEU N N 56 119.661 120.663 -1.002 1
1 654 . 10 1 1 A 57 57 LEU H H 57 7.382 7.939 -0.557 1
1 655 . 10 1 1 A 57 57 LEU HA H 57 3.575 3.630 -0.055 1
1 665 . 10 1 1 A 57 57 LEU C C 57 178.470 178.187 0.283 1
1 666 . 10 1 1 A 57 57 LEU CA C 57 57.703 58.170 -0.467 1
1 667 . 10 1 1 A 57 57 LEU CB C 57 42.077 41.527 0.550 1
1 671 . 10 1 1 A 57 57 LEU N N 57 119.857 119.913 -0.056 1
1 672 . 10 1 1 A 58 58 ARG H H 58 8.118 8.591 -0.473 1
1 673 . 10 1 1 A 58 58 ARG HA H 58 3.338 3.835 -0.497 1
1 680 . 10 1 1 A 58 58 ARG C C 58 179.713 178.660 1.053 1
1 681 . 10 1 1 A 58 58 ARG CA C 58 60.120 59.581 0.539 1
1 682 . 10 1 1 A 58 58 ARG CB C 58 30.320 29.844 0.476 1
1 685 . 10 1 1 A 58 58 ARG N N 58 118.198 117.840 0.358 1
1 686 . 10 1 1 A 59 59 ASP H H 59 8.748 7.985 0.763 1
1 687 . 10 1 1 A 59 59 ASP HA H 59 4.336 4.275 0.061 1
1 690 . 10 1 1 A 59 59 ASP C C 59 179.130 178.018 1.112 1
1 691 . 10 1 1 A 59 59 ASP CA C 59 57.197 57.592 -0.395 1
1 692 . 10 1 1 A 59 59 ASP CB C 59 40.212 41.819 -1.607 1
1 693 . 10 1 1 A 59 59 ASP N N 59 119.165 119.821 -0.656 1
1 694 . 10 1 1 A 60 60 SER H H 60 7.552 8.193 -0.641 1
1 695 . 10 1 1 A 60 60 SER HA H 60 4.116 4.158 -0.042 1
1 698 . 10 1 1 A 60 60 SER C C 60 175.883 177.190 -1.307 1
1 699 . 10 1 1 A 60 60 SER CA C 60 61.975 61.262 0.713 1
1 700 . 10 1 1 A 60 60 SER CB C 60 63.098 61.878 1.220 1
1 701 . 10 1 1 A 60 60 SER N N 60 117.761 115.129 2.632 1
1 702 . 10 1 1 A 61 61 PHE H H 61 7.063 7.449 -0.386 1
1 703 . 10 1 1 A 61 61 PHE HA H 61 4.614 4.381 0.233 1
1 711 . 10 1 1 A 61 61 PHE C C 61 177.561 178.405 -0.844 1
1 712 . 10 1 1 A 61 61 PHE CA C 61 56.777 61.887 -5.110 1
1 713 . 10 1 1 A 61 61 PHE CB C 61 36.564 38.314 -1.750 1
1 719 . 10 1 1 A 61 61 PHE N N 61 122.009 119.114 2.895 1
1 720 . 10 1 1 A 62 62 GLN H H 62 7.376 8.309 -0.933 1
1 721 . 10 1 1 A 62 62 GLN HA H 62 4.038 4.021 0.017 1
1 726 . 10 1 1 A 62 62 GLN C C 62 179.093 178.818 0.275 1
1 727 . 10 1 1 A 62 62 GLN CA C 62 58.240 59.263 -1.023 1
1 728 . 10 1 1 A 62 62 GLN CB C 62 28.094 28.320 -0.226 1
1 730 . 10 1 1 A 62 62 GLN N N 62 114.929 118.554 -3.625 1
1 731 . 10 1 1 A 63 63 GLN H H 63 7.893 7.831 0.062 1
1 732 . 10 1 1 A 63 63 GLN HA H 63 4.083 4.200 -0.117 1
1 737 . 10 1 1 A 63 63 GLN C C 63 178.244 178.596 -0.352 1
1 738 . 10 1 1 A 63 63 GLN CA C 63 58.408 58.285 0.123 1
1 739 . 10 1 1 A 63 63 GLN CB C 63 28.755 28.691 0.064 1
1 741 . 10 1 1 A 63 63 GLN N N 63 117.434 120.097 -2.663 1
1 742 . 10 1 1 A 64 64 VAL H H 64 8.220 8.139 0.081 1
1 743 . 10 1 1 A 64 64 VAL HA H 64 3.663 4.124 -0.461 1
1 751 . 10 1 1 A 64 64 VAL C C 64 177.137 178.052 -0.915 1
1 752 . 10 1 1 A 64 64 VAL CA C 64 66.107 65.504 0.603 1
1 753 . 10 1 1 A 64 64 VAL CB C 64 31.475 31.567 -0.092 1
1 756 . 10 1 1 A 64 64 VAL N N 64 118.766 117.111 1.655 1
1 757 . 10 1 1 A 65 65 VAL H H 65 6.860 7.602 -0.742 1
1 758 . 10 1 1 A 65 65 VAL HA H 65 3.833 3.902 -0.069 1
1 766 . 10 1 1 A 65 65 VAL C C 65 177.624 177.932 -0.308 1
1 767 . 10 1 1 A 65 65 VAL CA C 65 64.200 64.792 -0.592 1
1 768 . 10 1 1 A 65 65 VAL CB C 65 31.730 31.720 0.010 1
1 771 . 10 1 1 A 65 65 VAL N N 65 112.590 122.258 -9.668 1
1 772 . 10 1 1 A 66 66 LYS H H 66 7.431 7.830 -0.399 1
1 773 . 10 1 1 A 66 66 LYS HA H 66 4.184 3.986 0.198 1
1 782 . 10 1 1 A 66 66 LYS C C 66 177.374 178.305 -0.931 1
1 783 . 10 1 1 A 66 66 LYS CA C 66 58.190 59.650 -1.460 1
1 784 . 10 1 1 A 66 66 LYS CB C 66 33.232 32.412 0.820 1
1 788 . 10 1 1 A 66 66 LYS N N 66 119.643 121.909 -2.266 1
1 789 . 10 1 1 A 67 67 LEU H H 67 7.859 8.135 -0.276 1
1 790 . 10 1 1 A 67 67 LEU HA H 67 4.552 4.322 0.230 1
1 800 . 10 1 1 A 67 67 LEU C C 67 175.532 175.900 -0.368 1
1 801 . 10 1 1 A 67 67 LEU CA C 67 53.108 55.140 -2.032 1
1 802 . 10 1 1 A 67 67 LEU CB C 67 40.979 41.773 -0.794 1
1 806 . 10 1 1 A 67 67 LEU N N 67 121.288 118.117 3.171 1
1 807 . 10 1 1 A 68 68 LYS H H 68 7.475 8.107 -0.632 1
1 808 . 10 1 1 A 68 68 LYS HA H 68 4.156 4.000 0.156 1
1 817 . 10 1 1 A 68 68 LYS C C 68 177.987 176.581 1.406 1
1 818 . 10 1 1 A 68 68 LYS CA C 68 58.388 57.476 0.912 1
1 819 . 10 1 1 A 68 68 LYS CB C 68 32.207 30.913 1.294 1
1 823 . 10 1 1 A 68 68 LYS N N 68 119.626 116.745 2.881 1
1 824 . 10 1 1 A 69 69 GLY H H 69 8.696 8.277 0.419 1
1 825 . 10 1 1 A 69 69 GLY HA2 H 69 4.294 4.068 0.226 1
1 826 . 10 1 1 A 69 69 GLY HA3 H 69 3.896 4.072 -0.176 1
1 827 . 10 1 1 A 69 69 GLY CA C 69 45.335 45.323 0.012 1
1 828 . 10 1 1 A 69 69 GLY N N 69 113.681 105.183 8.498 1
1 829 . 10 1 1 A 70 70 GLN H H 70 8.031 7.513 0.518 1
1 830 . 10 1 1 A 70 70 GLN HA H 70 4.508 4.266 0.242 1
1 835 . 10 1 1 A 70 70 GLN C C 70 174.684 175.194 -0.510 1
1 836 . 10 1 1 A 70 70 GLN CA C 70 55.347 56.560 -1.213 1
1 837 . 10 1 1 A 70 70 GLN CB C 70 30.111 29.452 0.659 1
1 839 . 10 1 1 A 70 70 GLN N N 70 119.949 121.847 -1.898 1
1 840 . 10 1 1 A 71 71 VAL H H 71 8.232 8.467 -0.235 1
1 841 . 10 1 1 A 71 71 VAL HA H 71 4.822 4.568 0.254 1
1 849 . 10 1 1 A 71 71 VAL C C 71 176.406 174.875 1.531 1
1 850 . 10 1 1 A 71 71 VAL CA C 71 61.198 62.431 -1.233 1
1 851 . 10 1 1 A 71 71 VAL CB C 71 32.964 32.821 0.143 1
1 854 . 10 1 1 A 71 71 VAL N N 71 121.816 126.824 -5.008 1
1 855 . 10 1 1 A 72 72 LEU H H 72 9.052 9.234 -0.182 1
1 856 . 10 1 1 A 72 72 LEU HA H 72 4.827 5.254 -0.427 1
1 865 . 10 1 1 A 72 72 LEU C C 72 175.411 175.662 -0.251 1
1 866 . 10 1 1 A 72 72 LEU CA C 72 52.895 53.366 -0.471 1
1 867 . 10 1 1 A 72 72 LEU CB C 72 44.755 45.193 -0.438 1
1 870 . 10 1 1 A 72 72 LEU N N 72 130.331 128.981 1.350 1
1 871 . 10 1 1 A 73 73 SER H H 73 8.057 9.029 -0.972 1
1 872 . 10 1 1 A 73 73 SER HA H 73 5.211 5.765 -0.554 1
1 875 . 10 1 1 A 73 73 SER C C 73 174.562 173.052 1.510 1
1 876 . 10 1 1 A 73 73 SER CA C 73 56.591 56.708 -0.117 1
1 877 . 10 1 1 A 73 73 SER CB C 73 66.336 64.984 1.352 1
1 878 . 10 1 1 A 73 73 SER N N 73 113.040 118.802 -5.762 1
1 879 . 10 1 1 A 74 74 VAL H H 74 8.799 8.662 0.137 1
1 880 . 10 1 1 A 74 74 VAL HA H 74 4.705 4.970 -0.265 1
1 888 . 10 1 1 A 74 74 VAL C C 74 174.122 174.019 0.103 1
1 889 . 10 1 1 A 74 74 VAL CA C 74 59.403 59.529 -0.126 1
1 890 . 10 1 1 A 74 74 VAL CB C 74 35.474 35.784 -0.310 1
1 893 . 10 1 1 A 74 74 VAL N N 74 122.721 122.166 0.555 1
1 894 . 10 1 1 A 75 75 MET H H 75 8.195 8.802 -0.607 1
1 895 . 10 1 1 A 75 75 MET HA H 75 5.922 6.051 -0.129 1
1 903 . 10 1 1 A 75 75 MET C C 75 175.531 175.652 -0.121 1
1 904 . 10 1 1 A 75 75 MET CA C 75 54.021 54.076 -0.055 1
1 905 . 10 1 1 A 75 75 MET CB C 75 34.750 34.117 0.633 1
1 908 . 10 1 1 A 75 75 MET N N 75 120.057 123.685 -3.628 1
1 909 . 10 1 1 A 76 76 PHE H H 76 9.394 9.148 0.246 1
1 910 . 10 1 1 A 76 76 PHE HA H 76 5.004 5.146 -0.142 1
1 918 . 10 1 1 A 76 76 PHE C C 76 171.623 172.346 -0.723 1
1 919 . 10 1 1 A 76 76 PHE CA C 76 55.802 55.500 0.302 1
1 920 . 10 1 1 A 76 76 PHE CB C 76 42.072 42.064 0.008 1
1 926 . 10 1 1 A 76 76 PHE N N 76 120.244 119.978 0.266 1
1 927 . 10 1 1 A 77 77 ARG H H 77 8.783 8.273 0.510 1
1 928 . 10 1 1 A 77 77 ARG HA H 77 4.420 4.214 0.206 1
1 936 . 10 1 1 A 77 77 ARG C C 77 173.455 174.572 -1.117 1
1 937 . 10 1 1 A 77 77 ARG CA C 77 54.218 55.017 -0.799 1
1 938 . 10 1 1 A 77 77 ARG CB C 77 32.439 30.265 2.174 1
1 941 . 10 1 1 A 77 77 ARG N N 77 121.379 119.014 2.365 1
1 943 . 10 1 1 A 78 78 PHE H H 78 9.258 9.237 0.021 1
1 944 . 10 1 1 A 78 78 PHE HA H 78 5.438 5.205 0.233 1
1 952 . 10 1 1 A 78 78 PHE C C 78 175.873 174.514 1.359 1
1 953 . 10 1 1 A 78 78 PHE CA C 78 55.173 56.858 -1.685 1
1 954 . 10 1 1 A 78 78 PHE CB C 78 44.530 39.785 4.745 1
1 960 . 10 1 1 A 78 78 PHE N N 78 128.097 126.425 1.672 1
1 961 . 10 1 1 A 79 79 ARG H H 79 9.242 8.882 0.360 1
1 962 . 10 1 1 A 79 79 ARG HA H 79 4.201 4.619 -0.418 1
1 969 . 10 1 1 A 79 79 ARG C C 79 175.316 176.423 -1.107 1
1 970 . 10 1 1 A 79 79 ARG CA C 79 55.255 56.535 -1.280 1
1 971 . 10 1 1 A 79 79 ARG CB C 79 29.358 30.397 -1.039 1
1 974 . 10 1 1 A 79 79 ARG N N 79 129.898 130.476 -0.578 1
1 975 . 10 1 1 A 80 80 SER H H 80 9.253 8.762 0.491 1
1 976 . 10 1 1 A 80 80 SER HA H 80 4.772 5.067 -0.295 1
1 979 . 10 1 1 A 80 80 SER C C 80 174.983 175.759 -0.776 1
1 980 . 10 1 1 A 80 80 SER CA C 80 58.191 58.102 0.089 1
1 981 . 10 1 1 A 80 80 SER CB C 80 64.930 64.620 0.310 1
1 982 . 10 1 1 A 80 80 SER N N 80 128.002 123.952 4.050 1
1 983 . 10 1 1 A 81 81 LYS H H 81 8.065 8.811 -0.746 1
1 984 . 10 1 1 A 81 81 LYS HA H 81 3.675 3.600 0.075 1
1 993 . 10 1 1 A 81 81 LYS C C 81 177.417 177.735 -0.318 1
1 994 . 10 1 1 A 81 81 LYS CA C 81 59.236 59.022 0.214 1
1 995 . 10 1 1 A 81 81 LYS CB C 81 31.641 31.908 -0.267 1
1 999 . 10 1 1 A 81 81 LYS N N 81 123.505 123.712 -0.207 1
1 1000 . 10 1 1 A 82 82 ASN H H 82 7.934 7.758 0.176 1
1 1001 . 10 1 1 A 82 82 ASN HA H 82 4.679 4.580 0.099 1
1 1006 . 10 1 1 A 82 82 ASN C C 82 173.949 174.910 -0.961 1
1 1007 . 10 1 1 A 82 82 ASN CA C 82 52.764 52.361 0.403 1
1 1008 . 10 1 1 A 82 82 ASN CB C 82 37.428 37.516 -0.088 1
1 1009 . 10 1 1 A 82 82 ASN N N 82 115.202 113.333 1.869 1
1 1011 . 10 1 1 A 83 83 GLN H H 83 8.099 8.187 -0.088 1
1 1012 . 10 1 1 A 83 83 GLN HA H 83 3.382 3.765 -0.383 1
1 1019 . 10 1 1 A 83 83 GLN C C 83 174.208 173.967 0.241 1
1 1020 . 10 1 1 A 83 83 GLN CA C 83 56.400 56.849 -0.449 1
1 1021 . 10 1 1 A 83 83 GLN CB C 83 25.003 26.108 -1.105 1
1 1023 . 10 1 1 A 83 83 GLN N N 83 112.357 114.377 -2.020 1
1 1025 . 10 1 1 A 84 84 GLU H H 84 7.385 7.599 -0.214 1
1 1026 . 10 1 1 A 84 84 GLU HA H 84 4.322 4.711 -0.389 1
1 1031 . 10 1 1 A 84 84 GLU CA C 84 54.720 54.777 -0.057 1
1 1032 . 10 1 1 A 84 84 GLU CB C 84 31.713 32.480 -0.767 1
1 1034 . 10 1 1 A 84 84 GLU N N 84 117.557 116.580 0.977 1
1 1035 . 10 1 1 A 85 85 TRP H H 85 8.645 8.693 -0.048 1
1 1036 . 10 1 1 A 85 85 TRP HA H 85 5.145 4.793 0.352 1
1 1045 . 10 1 1 A 85 85 TRP C C 85 175.772 175.717 0.055 1
1 1046 . 10 1 1 A 85 85 TRP CA C 85 55.591 56.981 -1.390 1
1 1047 . 10 1 1 A 85 85 TRP CB C 85 30.113 28.009 2.104 1
1 1053 . 10 1 1 A 85 85 TRP N N 85 121.388 123.483 -2.095 1
1 1055 . 10 1 1 A 86 86 LEU H H 86 9.348 8.754 0.594 1
1 1056 . 10 1 1 A 86 86 LEU HA H 86 4.847 4.744 0.103 1
1 1066 . 10 1 1 A 86 86 LEU C C 86 176.991 176.423 0.568 1
1 1067 . 10 1 1 A 86 86 LEU CA C 86 53.102 54.713 -1.611 1
1 1068 . 10 1 1 A 86 86 LEU CB C 86 44.527 41.434 3.093 1
1 1071 . 10 1 1 A 86 86 LEU N N 86 126.537 125.702 0.835 1
1 1072 . 10 1 1 A 87 87 TRP H H 87 8.870 8.881 -0.011 1
1 1073 . 10 1 1 A 87 87 TRP HA H 87 4.465 4.945 -0.480 1
1 1082 . 10 1 1 A 87 87 TRP C C 87 175.731 176.920 -1.189 1
1 1083 . 10 1 1 A 87 87 TRP CA C 87 59.207 58.573 0.634 1
1 1084 . 10 1 1 A 87 87 TRP CB C 87 29.736 30.339 -0.603 1
1 1090 . 10 1 1 A 87 87 TRP N N 87 123.902 126.785 -2.883 1
1 1092 . 10 1 1 A 88 88 MET H H 88 9.432 9.131 0.301 1
1 1093 . 10 1 1 A 88 88 MET HA H 88 5.267 5.533 -0.266 1
1 1101 . 10 1 1 A 88 88 MET C C 88 174.713 174.094 0.619 1
1 1102 . 10 1 1 A 88 88 MET CA C 88 52.557 54.343 -1.786 1
1 1103 . 10 1 1 A 88 88 MET CB C 88 36.139 37.255 -1.116 1
1 1106 . 10 1 1 A 88 88 MET N N 88 123.412 121.346 2.066 1
1 1107 . 10 1 1 A 89 89 ARG H H 89 9.282 9.048 0.234 1
1 1108 . 10 1 1 A 89 89 ARG HA H 89 5.702 5.234 0.468 1
1 1115 . 10 1 1 A 89 89 ARG C C 89 177.137 175.803 1.334 1
1 1116 . 10 1 1 A 89 89 ARG CA C 89 54.266 54.684 -0.418 1
1 1117 . 10 1 1 A 89 89 ARG CB C 89 34.404 32.274 2.130 1
1 1120 . 10 1 1 A 89 89 ARG N N 89 119.570 121.414 -1.844 1
1 1121 . 10 1 1 A 90 90 THR H H 90 9.298 9.141 0.157 1
1 1122 . 10 1 1 A 90 90 THR HA H 90 5.625 5.225 0.400 1
1 1127 . 10 1 1 A 90 90 THR C C 90 176.787 174.467 2.320 1
1 1128 . 10 1 1 A 90 90 THR CA C 90 60.327 60.496 -0.169 1
1 1129 . 10 1 1 A 90 90 THR CB C 90 72.187 70.392 1.795 1
1 1131 . 10 1 1 A 90 90 THR N N 90 115.133 117.853 -2.720 1
1 1132 . 10 1 1 A 91 91 SER H H 91 8.194 8.783 -0.589 1
1 1133 . 10 1 1 A 91 91 SER HA H 91 4.860 5.135 -0.275 1
1 1136 . 10 1 1 A 91 91 SER C C 91 175.171 173.319 1.852 1
1 1137 . 10 1 1 A 91 91 SER CA C 91 59.224 57.253 1.971 1
1 1138 . 10 1 1 A 91 91 SER CB C 91 64.094 63.014 1.080 1
1 1139 . 10 1 1 A 91 91 SER N N 91 114.043 121.259 -7.216 1
1 1140 . 10 1 1 A 92 92 SER H H 92 9.864 8.005 1.859 1
1 1141 . 10 1 1 A 92 92 SER HA H 92 6.204 5.002 1.202 1
1 1144 . 10 1 1 A 92 92 SER C C 92 171.748 174.168 -2.420 1
1 1145 . 10 1 1 A 92 92 SER CA C 92 58.818 59.667 -0.849 1
1 1146 . 10 1 1 A 92 92 SER CB C 92 66.419 64.016 2.403 1
1 1147 . 10 1 1 A 92 92 SER N N 92 125.442 121.628 3.814 1
1 1148 . 10 1 1 A 93 93 GLN H H 93 8.873 8.692 0.181 1
1 1149 . 10 1 1 A 93 93 GLN HA H 93 5.048 5.079 -0.031 1
1 1156 . 10 1 1 A 93 93 GLN C C 93 174.145 174.532 -0.387 1
1 1157 . 10 1 1 A 93 93 GLN CA C 93 54.262 54.437 -0.175 1
1 1158 . 10 1 1 A 93 93 GLN CB C 93 33.131 32.598 0.533 1
1 1160 . 10 1 1 A 93 93 GLN N N 93 117.328 122.231 -4.903 1
1 1162 . 10 1 1 A 94 94 THR H H 94 8.846 8.582 0.264 1
1 1163 . 10 1 1 A 94 94 THR HA H 94 3.979 4.559 -0.580 1
1 1168 . 10 1 1 A 94 94 THR C C 94 174.677 174.557 0.120 1
1 1169 . 10 1 1 A 94 94 THR CA C 94 64.467 62.619 1.848 1
1 1170 . 10 1 1 A 94 94 THR CB C 94 68.894 69.138 -0.244 1
1 1172 . 10 1 1 A 94 94 THR N N 94 116.526 112.806 3.720 1
1 1173 . 10 1 1 A 95 95 ALA H H 95 8.188 8.332 -0.144 1
1 1174 . 10 1 1 A 95 95 ALA HA H 95 4.161 4.231 -0.070 1
1 1178 . 10 1 1 A 95 95 ALA C C 95 176.285 177.025 -0.740 1
1 1179 . 10 1 1 A 95 95 ALA CA C 95 51.847 52.385 -0.538 1
1 1180 . 10 1 1 A 95 95 ALA CB C 95 18.999 19.895 -0.896 1
1 1181 . 10 1 1 A 95 95 ALA N N 95 126.311 128.062 -1.751 1
1 1182 . 10 1 1 A 96 96 GLN H H 96 8.324 8.554 -0.230 1
1 1183 . 10 1 1 A 96 96 GLN HA H 96 4.175 4.541 -0.366 1
1 1190 . 10 1 1 A 96 96 GLN C C 96 176.230 175.301 0.929 1
1 1191 . 10 1 1 A 96 96 GLN CA C 96 54.621 55.279 -0.658 1
1 1192 . 10 1 1 A 96 96 GLN CB C 96 30.003 30.542 -0.539 1
1 1194 . 10 1 1 A 96 96 GLN N N 96 116.920 117.948 -1.028 1
1 1196 . 10 1 1 A 97 97 ASN H H 97 8.512 8.540 -0.028 1
1 1197 . 10 1 1 A 97 97 ASN HA H 97 4.436 4.532 -0.096 1
1 1200 . 10 1 1 A 97 97 ASN CA C 97 52.928 51.260 1.668 1
1 1201 . 10 1 1 A 97 97 ASN CB C 97 37.851 39.072 -1.221 1
1 1202 . 10 1 1 A 97 97 ASN N N 97 119.656 122.595 -2.939 1
1 1203 . 10 1 1 A 98 98 PRO HA H 98 4.566 4.409 0.157 1
1 1210 . 10 1 1 A 98 98 PRO C C 98 175.164 175.727 -0.563 1
1 1211 . 10 1 1 A 98 98 PRO CA C 98 63.824 63.587 0.237 1
1 1212 . 10 1 1 A 98 98 PRO CB C 98 32.473 32.877 -0.404 1
1 1215 . 10 1 1 A 99 99 TYR H H 99 8.780 7.241 1.539 1
1 1216 . 10 1 1 A 99 99 TYR HA H 99 4.996 4.729 0.267 1
1 1223 . 10 1 1 A 99 99 TYR C C 99 176.421 176.204 0.217 1
1 1224 . 10 1 1 A 99 99 TYR CA C 99 55.837 57.211 -1.374 1
1 1225 . 10 1 1 A 99 99 TYR CB C 99 37.199 37.813 -0.614 1
1 1230 . 10 1 1 A 99 99 TYR N N 99 127.975 119.180 8.795 1
1 1231 . 10 1 1 A 100 100 SER H H 100 7.655 8.069 -0.414 1
1 1232 . 10 1 1 A 100 100 SER HA H 100 4.274 4.549 -0.275 1
1 1235 . 10 1 1 A 100 100 SER C C 100 174.144 176.401 -2.257 1
1 1236 . 10 1 1 A 100 100 SER CA C 100 60.567 61.118 -0.551 1
1 1237 . 10 1 1 A 100 100 SER CB C 100 63.266 63.212 0.054 1
1 1238 . 10 1 1 A 100 100 SER N N 100 113.164 117.313 -4.149 1
1 1239 . 10 1 1 A 101 101 ASP H H 101 8.736 8.161 0.575 1
1 1240 . 10 1 1 A 101 101 ASP HA H 101 4.688 4.623 0.065 1
1 1243 . 10 1 1 A 101 101 ASP C C 101 175.535 176.914 -1.379 1
1 1244 . 10 1 1 A 101 101 ASP CA C 101 54.103 56.505 -2.402 1
1 1245 . 10 1 1 A 101 101 ASP CB C 101 40.098 40.890 -0.792 1
1 1246 . 10 1 1 A 101 101 ASP N N 101 118.476 119.705 -1.229 1
1 1247 . 10 1 1 A 102 102 GLU H H 102 8.127 8.565 -0.438 1
1 1248 . 10 1 1 A 102 102 GLU HA H 102 4.448 4.655 -0.207 1
1 1253 . 10 1 1 A 102 102 GLU CA C 102 54.963 55.869 -0.906 1
1 1254 . 10 1 1 A 102 102 GLU CB C 102 31.769 31.625 0.144 1
1 1256 . 10 1 1 A 102 102 GLU N N 102 119.744 117.514 2.230 1
1 1257 . 10 1 1 A 103 103 ILE H H 103 8.645 8.389 0.256 1
1 1258 . 10 1 1 A 103 103 ILE HA H 103 4.001 4.718 -0.717 1
1 1268 . 10 1 1 A 103 103 ILE C C 103 174.065 174.549 -0.484 1
1 1269 . 10 1 1 A 103 103 ILE CA C 103 60.418 60.830 -0.412 1
1 1270 . 10 1 1 A 103 103 ILE CB C 103 40.781 40.794 -0.013 1
1 1274 . 10 1 1 A 103 103 ILE N N 103 121.388 120.679 0.709 1
1 1275 . 10 1 1 A 104 104 GLU H H 104 8.957 9.129 -0.172 1
1 1276 . 10 1 1 A 104 104 GLU HA H 104 5.099 4.560 0.539 1
1 1281 . 10 1 1 A 104 104 GLU C C 104 175.093 175.274 -0.181 1
1 1282 . 10 1 1 A 104 104 GLU CA C 104 54.898 56.030 -1.132 1
1 1283 . 10 1 1 A 104 104 GLU CB C 104 32.330 30.107 2.223 1
1 1285 . 10 1 1 A 104 104 GLU N N 104 125.935 128.439 -2.504 1
1 1286 . 10 1 1 A 105 105 THR H H 105 8.774 8.710 0.064 1
1 1287 . 10 1 1 A 105 105 THR HA H 105 5.226 4.948 0.278 1
1 1292 . 10 1 1 A 105 105 THR C C 105 174.876 173.733 1.143 1
1 1293 . 10 1 1 A 105 105 THR CA C 105 61.469 62.282 -0.813 1
1 1294 . 10 1 1 A 105 105 THR CB C 105 70.382 69.806 0.576 1
1 1296 . 10 1 1 A 105 105 THR N N 105 127.200 121.113 6.087 1
1 1297 . 10 1 1 A 106 106 ILE H H 106 9.186 8.996 0.190 1
1 1298 . 10 1 1 A 106 106 ILE HA H 106 4.486 4.608 -0.122 1
1 1308 . 10 1 1 A 106 106 ILE C C 106 175.412 175.204 0.208 1
1 1309 . 10 1 1 A 106 106 ILE CA C 106 61.423 60.524 0.899 1
1 1310 . 10 1 1 A 106 106 ILE CB C 106 38.432 37.709 0.723 1
1 1313 . 10 1 1 A 106 106 ILE N N 106 107.991 128.461 -20.470 1
1 1314 . 10 1 1 A 107 107 ILE H H 107 8.431 8.244 0.187 1
1 1315 . 10 1 1 A 107 107 ILE HA H 107 4.239 4.422 -0.183 1
1 1325 . 10 1 1 A 107 107 ILE C C 107 173.805 174.678 -0.873 1
1 1326 . 10 1 1 A 107 107 ILE CA C 107 61.459 60.769 0.690 1
1 1327 . 10 1 1 A 107 107 ILE CB C 107 37.499 36.955 0.544 1
1 1331 . 10 1 1 A 107 107 ILE N N 107 129.202 128.434 0.768 1
1 1332 . 10 1 1 A 108 108 CYS H H 108 8.581 9.192 -0.611 1
1 1333 . 10 1 1 A 108 108 CYS HA H 108 5.298 5.062 0.236 1
1 1336 . 10 1 1 A 108 108 CYS C C 108 174.235 174.074 0.161 1
1 1337 . 10 1 1 A 108 108 CYS CA C 108 55.861 57.001 -1.140 1
1 1338 . 10 1 1 A 108 108 CYS CB C 108 31.110 30.529 0.581 1
1 1339 . 10 1 1 A 108 108 CYS N N 108 124.561 128.251 -3.690 1
1 1340 . 10 1 1 A 109 109 THR H H 109 8.701 8.726 -0.025 1
1 1341 . 10 1 1 A 109 109 THR HA H 109 4.733 4.498 0.235 1
1 1346 . 10 1 1 A 109 109 THR C C 109 174.927 174.167 0.760 1
1 1347 . 10 1 1 A 109 109 THR CA C 109 63.466 62.406 1.060 1
1 1348 . 10 1 1 A 109 109 THR CB C 109 69.636 69.745 -0.109 1
1 1350 . 10 1 1 A 109 109 THR N N 109 119.017 118.370 0.647 1
1 1351 . 10 1 1 A 110 110 ASN H H 110 8.527 8.927 -0.400 1
1 1352 . 10 1 1 A 110 110 ASN HA H 110 4.891 5.149 -0.258 1
1 1357 . 10 1 1 A 110 110 ASN C C 110 174.829 173.730 1.099 1
1 1358 . 10 1 1 A 110 110 ASN CA C 110 53.104 51.995 1.109 1
1 1359 . 10 1 1 A 110 110 ASN CB C 110 39.813 38.881 0.932 1
1 1360 . 10 1 1 A 110 110 ASN N N 110 122.861 122.776 0.085 1
1 1362 . 10 1 1 A 111 111 THR H H 111 8.159 7.772 0.387 1
1 1363 . 10 1 1 A 111 111 THR HA H 111 4.407 4.635 -0.228 1
1 1368 . 10 1 1 A 111 111 THR C C 111 174.189 173.838 0.351 1
1 1369 . 10 1 1 A 111 111 THR CA C 111 61.900 60.062 1.838 1
1 1370 . 10 1 1 A 111 111 THR CB C 111 69.400 71.681 -2.281 1
1 1372 . 10 1 1 A 111 111 THR N N 111 114.879 112.736 2.143 1
1 1373 . 10 1 1 A 112 112 ASN H H 112 8.359 8.810 -0.451 1
1 1374 . 10 1 1 A 112 112 ASN N N 112 121.000 120.212 0.788 1
1 1375 . 10 1 1 A 117 117 SER C C 117 174.242 173.191 1.051 1
1 1376 . 10 1 1 A 117 117 SER CA C 117 58.557 56.648 1.909 1
1 1377 . 10 1 1 A 117 117 SER CB C 117 63.729 66.077 -2.348 1
1 1378 . 10 1 1 A 118 118 GLN H H 118 8.304 9.237 -0.933 1
1 1379 . 10 1 1 A 118 118 GLN C C 118 174.889 175.109 -0.220 1
1 1380 . 10 1 1 A 118 118 GLN CA C 118 55.764 56.666 -0.902 1
1 1381 . 10 1 1 A 118 118 GLN CB C 118 29.659 28.344 1.315 1
1 1382 . 10 1 1 A 118 118 GLN N N 118 122.171 125.516 -3.345 1
1 1 . 11 1 1 A 2 2 ALA HA H 2 4.298 4.409 -0.111 1
1 5 . 11 1 1 A 2 2 ALA CA C 2 53.448 51.721 1.727 1
1 6 . 11 1 1 A 2 2 ALA CB C 2 19.236 18.235 1.001 1
1 7 . 11 1 1 A 3 3 MET H H 3 8.518 8.535 -0.017 1
1 12 . 11 1 1 A 3 3 MET N N 3 117.762 123.805 -6.043 1
1 13 . 11 1 1 A 4 4 ASP CA C 4 54.632 54.940 -0.308 1
1 14 . 11 1 1 A 4 4 ASP CB C 4 41.102 39.152 1.950 1
1 15 . 11 1 1 A 5 5 ASN H H 5 8.332 8.063 0.269 1
1 18 . 11 1 1 A 5 5 ASN CA C 5 53.361 56.393 -3.032 1
1 19 . 11 1 1 A 5 5 ASN CB C 5 38.775 39.387 -0.612 1
1 20 . 11 1 1 A 5 5 ASN N N 5 118.200 120.651 -2.451 1
1 22 . 11 1 1 A 6 6 VAL H H 6 7.939 7.943 -0.004 1
1 23 . 11 1 1 A 6 6 VAL HA H 6 4.142 4.501 -0.359 1
1 31 . 11 1 1 A 6 6 VAL CA C 6 62.634 59.889 2.745 1
1 32 . 11 1 1 A 6 6 VAL CB C 6 32.598 34.383 -1.785 1
1 35 . 11 1 1 A 6 6 VAL N N 6 120.396 117.191 3.205 1
1 36 . 11 1 1 A 7 7 CYS H H 7 8.304 8.555 -0.251 1
1 37 . 11 1 1 A 7 7 CYS CA C 7 56.095 62.190 -6.095 1
1 38 . 11 1 1 A 7 7 CYS CB C 7 32.967 27.740 5.227 1
1 39 . 11 1 1 A 7 7 CYS N N 7 124.774 122.231 2.543 1
1 40 . 11 1 1 A 9 9 PRO HA H 9 4.547 4.758 -0.211 1
1 46 . 11 1 1 A 9 9 PRO C C 9 176.493 175.732 0.761 1
1 47 . 11 1 1 A 9 9 PRO CA C 9 63.142 62.305 0.837 1
1 48 . 11 1 1 A 9 9 PRO CB C 9 32.554 33.106 -0.552 1
1 51 . 11 1 1 A 10 10 THR H H 10 8.368 8.823 -0.455 1
1 52 . 11 1 1 A 10 10 THR HA H 10 4.418 4.471 -0.053 1
1 57 . 11 1 1 A 10 10 THR C C 10 172.743 173.628 -0.885 1
1 58 . 11 1 1 A 10 10 THR CA C 10 61.197 62.931 -1.734 1
1 59 . 11 1 1 A 10 10 THR CB C 10 69.660 71.508 -1.848 1
1 61 . 11 1 1 A 10 10 THR N N 10 112.513 113.925 -1.412 1
1 62 . 11 1 1 A 11 11 GLU H H 11 7.813 7.919 -0.106 1
1 63 . 11 1 1 A 11 11 GLU HA H 11 5.549 5.117 0.432 1
1 68 . 11 1 1 A 11 11 GLU C C 11 173.062 174.135 -1.073 1
1 69 . 11 1 1 A 11 11 GLU CA C 11 53.855 55.537 -1.682 1
1 70 . 11 1 1 A 11 11 GLU CB C 11 33.820 32.795 1.025 1
1 72 . 11 1 1 A 11 11 GLU N N 11 119.491 116.429 3.062 1
1 73 . 11 1 1 A 12 12 PHE H H 12 8.198 8.833 -0.635 1
1 74 . 11 1 1 A 12 12 PHE HA H 12 5.014 5.822 -0.808 1
1 82 . 11 1 1 A 12 12 PHE C C 12 171.976 173.576 -1.600 1
1 83 . 11 1 1 A 12 12 PHE CA C 12 55.597 55.310 0.287 1
1 84 . 11 1 1 A 12 12 PHE CB C 12 42.384 42.108 0.276 1
1 90 . 11 1 1 A 12 12 PHE N N 12 111.146 117.843 -6.697 1
1 91 . 11 1 1 A 13 13 ILE H H 13 8.655 8.549 0.106 1
1 92 . 11 1 1 A 13 13 ILE HA H 13 4.165 4.454 -0.289 1
1 102 . 11 1 1 A 13 13 ILE C C 13 173.432 174.888 -1.456 1
1 103 . 11 1 1 A 13 13 ILE CA C 13 62.270 61.976 0.294 1
1 104 . 11 1 1 A 13 13 ILE CB C 13 39.957 36.895 3.062 1
1 108 . 11 1 1 A 13 13 ILE N N 13 121.427 124.627 -3.200 1
1 109 . 11 1 1 A 14 14 SER H H 14 8.034 9.041 -1.007 1
1 110 . 11 1 1 A 14 14 SER HA H 14 5.588 5.145 0.443 1
1 113 . 11 1 1 A 14 14 SER C C 14 173.429 173.603 -0.174 1
1 114 . 11 1 1 A 14 14 SER CA C 14 56.650 56.483 0.167 1
1 115 . 11 1 1 A 14 14 SER CB C 14 70.177 64.951 5.226 1
1 116 . 11 1 1 A 14 14 SER N N 14 121.358 123.412 -2.054 1
1 117 . 11 1 1 A 15 15 ARG H H 15 9.545 8.819 0.726 1
1 118 . 11 1 1 A 15 15 ARG HA H 15 5.826 4.769 1.057 1
1 126 . 11 1 1 A 15 15 ARG C C 15 176.042 175.616 0.426 1
1 127 . 11 1 1 A 15 15 ARG CA C 15 55.105 55.500 -0.395 1
1 128 . 11 1 1 A 15 15 ARG CB C 15 35.587 32.429 3.158 1
1 131 . 11 1 1 A 15 15 ARG N N 15 118.317 127.421 -9.104 1
1 133 . 11 1 1 A 16 16 HIS H H 16 8.730 8.207 0.523 1
1 134 . 11 1 1 A 16 16 HIS HA H 16 5.555 5.416 0.139 1
1 141 . 11 1 1 A 16 16 HIS C C 16 174.062 173.067 0.995 1
1 142 . 11 1 1 A 16 16 HIS CA C 16 54.057 54.627 -0.570 1
1 143 . 11 1 1 A 16 16 HIS CB C 16 31.334 31.250 0.084 1
1 146 . 11 1 1 A 16 16 HIS N N 16 117.425 116.770 0.655 1
1 148 . 11 1 1 A 17 17 ASN H H 17 8.201 8.778 -0.577 1
1 149 . 11 1 1 A 17 17 ASN HA H 17 4.897 5.014 -0.117 1
1 154 . 11 1 1 A 17 17 ASN C C 17 178.263 175.655 2.608 1
1 155 . 11 1 1 A 17 17 ASN CA C 17 51.104 51.670 -0.566 1
1 156 . 11 1 1 A 17 17 ASN CB C 17 38.469 39.067 -0.598 1
1 157 . 11 1 1 A 17 17 ASN N N 17 116.276 117.902 -1.626 1
1 159 . 11 1 1 A 18 18 ILE H H 18 8.774 8.798 -0.024 1
1 160 . 11 1 1 A 18 18 ILE HA H 18 3.795 3.914 -0.119 1
1 170 . 11 1 1 A 18 18 ILE C C 18 174.851 177.799 -2.948 1
1 171 . 11 1 1 A 18 18 ILE CA C 18 64.399 64.061 0.338 1
1 172 . 11 1 1 A 18 18 ILE CB C 18 38.072 37.867 0.205 1
1 176 . 11 1 1 A 18 18 ILE N N 18 120.001 120.213 -0.212 1
1 177 . 11 1 1 A 19 19 GLU H H 19 7.213 7.848 -0.635 1
1 178 . 11 1 1 A 19 19 GLU HA H 19 4.225 4.119 0.106 1
1 183 . 11 1 1 A 19 19 GLU CA C 19 57.145 56.815 0.330 1
1 184 . 11 1 1 A 19 19 GLU CB C 19 29.878 29.791 0.087 1
1 186 . 11 1 1 A 19 19 GLU N N 19 116.538 119.919 -3.381 1
1 187 . 11 1 1 A 20 20 GLY H H 20 7.845 7.819 0.026 1
1 188 . 11 1 1 A 20 20 GLY HA2 H 20 4.878 2.711 2.167 1
1 189 . 11 1 1 A 20 20 GLY HA3 H 20 2.886 3.616 -0.730 1
1 190 . 11 1 1 A 20 20 GLY C C 20 172.992 174.063 -1.071 1
1 191 . 11 1 1 A 20 20 GLY CA C 20 44.049 44.257 -0.208 1
1 192 . 11 1 1 A 20 20 GLY N N 20 104.883 106.136 -1.253 1
1 193 . 11 1 1 A 21 21 ILE H H 21 7.841 7.553 0.288 1
1 194 . 11 1 1 A 21 21 ILE HA H 21 3.995 4.070 -0.075 1
1 204 . 11 1 1 A 21 21 ILE C C 21 176.915 175.442 1.473 1
1 205 . 11 1 1 A 21 21 ILE CA C 21 60.302 61.664 -1.362 1
1 206 . 11 1 1 A 21 21 ILE CB C 21 36.111 38.006 -1.895 1
1 210 . 11 1 1 A 21 21 ILE N N 21 120.855 122.697 -1.842 1
1 211 . 11 1 1 A 22 22 PHE H H 22 8.896 8.529 0.367 1
1 212 . 11 1 1 A 22 22 PHE HA H 22 5.052 4.954 0.098 1
1 220 . 11 1 1 A 22 22 PHE C C 22 177.971 176.233 1.738 1
1 221 . 11 1 1 A 22 22 PHE CA C 22 59.625 59.011 0.614 1
1 222 . 11 1 1 A 22 22 PHE CB C 22 39.984 39.144 0.840 1
1 228 . 11 1 1 A 22 22 PHE N N 22 125.849 128.556 -2.707 1
1 229 . 11 1 1 A 23 23 THR H H 23 9.771 8.882 0.889 1
1 230 . 11 1 1 A 23 23 THR HA H 23 4.403 4.482 -0.079 1
1 235 . 11 1 1 A 23 23 THR C C 23 175.589 174.484 1.105 1
1 236 . 11 1 1 A 23 23 THR CA C 23 61.611 62.209 -0.598 1
1 237 . 11 1 1 A 23 23 THR CB C 23 69.193 69.145 0.048 1
1 239 . 11 1 1 A 23 23 THR N N 23 117.677 115.173 2.504 1
1 240 . 11 1 1 A 24 24 PHE H H 24 7.948 7.385 0.563 1
1 241 . 11 1 1 A 24 24 PHE HA H 24 4.483 4.757 -0.274 1
1 249 . 11 1 1 A 24 24 PHE C C 24 173.376 173.261 0.115 1
1 250 . 11 1 1 A 24 24 PHE CA C 24 59.142 58.217 0.925 1
1 251 . 11 1 1 A 24 24 PHE CB C 24 42.161 42.291 -0.130 1
1 257 . 11 1 1 A 24 24 PHE N N 24 123.378 121.150 2.228 1
1 258 . 11 1 1 A 25 25 VAL H H 25 7.340 7.379 -0.039 1
1 259 . 11 1 1 A 25 25 VAL HA H 25 4.166 4.488 -0.322 1
1 267 . 11 1 1 A 25 25 VAL C C 25 173.103 173.691 -0.588 1
1 268 . 11 1 1 A 25 25 VAL CA C 25 61.539 60.418 1.121 1
1 269 . 11 1 1 A 25 25 VAL CB C 25 35.683 35.008 0.675 1
1 272 . 11 1 1 A 25 25 VAL N N 25 124.777 123.617 1.160 1
1 273 . 11 1 1 A 26 26 ASP H H 26 7.942 8.468 -0.526 1
1 274 . 11 1 1 A 26 26 ASP HA H 26 4.466 4.534 -0.068 1
1 277 . 11 1 1 A 26 26 ASP C C 26 175.258 177.308 -2.050 1
1 278 . 11 1 1 A 26 26 ASP CA C 26 53.318 54.444 -1.126 1
1 279 . 11 1 1 A 26 26 ASP CB C 26 42.461 42.255 0.206 1
1 280 . 11 1 1 A 26 26 ASP N N 26 125.573 126.469 -0.896 1
1 281 . 11 1 1 A 27 27 HIS H H 27 8.115 8.932 -0.817 1
1 282 . 11 1 1 A 27 27 HIS HA H 27 4.222 4.159 0.063 1
1 286 . 11 1 1 A 27 27 HIS C C 27 177.268 176.398 0.870 1
1 287 . 11 1 1 A 27 27 HIS CA C 27 59.164 58.597 0.567 1
1 288 . 11 1 1 A 27 27 HIS CB C 27 30.374 29.226 1.148 1
1 290 . 11 1 1 A 27 27 HIS N N 27 117.576 123.689 -6.113 1
1 291 . 11 1 1 A 28 28 ARG H H 28 8.724 7.874 0.850 1
1 292 . 11 1 1 A 28 28 ARG HA H 28 4.210 3.747 0.463 1
1 300 . 11 1 1 A 28 28 ARG C C 28 177.838 179.167 -1.329 1
1 301 . 11 1 1 A 28 28 ARG CA C 28 58.199 59.052 -0.853 1
1 302 . 11 1 1 A 28 28 ARG CB C 28 29.815 29.496 0.319 1
1 305 . 11 1 1 A 28 28 ARG N N 28 122.414 120.366 2.048 1
1 307 . 11 1 1 A 29 29 CYS H H 29 8.102 8.334 -0.232 1
1 308 . 11 1 1 A 29 29 CYS HA H 29 3.124 3.126 -0.002 1
1 311 . 11 1 1 A 29 29 CYS C C 29 175.551 176.945 -1.394 1
1 312 . 11 1 1 A 29 29 CYS CA C 29 59.988 61.048 -1.060 1
1 313 . 11 1 1 A 29 29 CYS CB C 29 25.101 26.476 -1.375 1
1 314 . 11 1 1 A 29 29 CYS N N 29 119.987 117.617 2.370 1
1 315 . 11 1 1 A 30 30 VAL H H 30 7.139 7.094 0.045 1
1 316 . 11 1 1 A 30 30 VAL HA H 30 3.373 3.674 -0.301 1
1 324 . 11 1 1 A 30 30 VAL C C 30 178.225 178.006 0.219 1
1 325 . 11 1 1 A 30 30 VAL CA C 30 65.903 64.308 1.595 1
1 326 . 11 1 1 A 30 30 VAL CB C 30 31.446 31.517 -0.071 1
1 329 . 11 1 1 A 30 30 VAL N N 30 125.016 119.273 5.743 1
1 330 . 11 1 1 A 31 31 ALA H H 31 7.393 7.893 -0.500 1
1 331 . 11 1 1 A 31 31 ALA HA H 31 4.126 4.098 0.028 1
1 335 . 11 1 1 A 31 31 ALA C C 31 178.111 179.715 -1.604 1
1 336 . 11 1 1 A 31 31 ALA CA C 31 53.715 54.428 -0.713 1
1 337 . 11 1 1 A 31 31 ALA CB C 31 19.223 18.417 0.806 1
1 338 . 11 1 1 A 31 31 ALA N N 31 120.554 124.245 -3.691 1
1 339 . 11 1 1 A 32 32 THR H H 32 7.253 7.711 -0.458 1
1 340 . 11 1 1 A 32 32 THR HA H 32 4.116 4.053 0.063 1
1 345 . 11 1 1 A 32 32 THR C C 32 175.655 175.973 -0.318 1
1 346 . 11 1 1 A 32 32 THR CA C 32 64.727 65.482 -0.755 1
1 347 . 11 1 1 A 32 32 THR CB C 32 69.144 69.340 -0.196 1
1 349 . 11 1 1 A 32 32 THR N N 32 109.150 113.589 -4.439 1
1 350 . 11 1 1 A 33 33 VAL H H 33 7.939 7.671 0.268 1
1 351 . 11 1 1 A 33 33 VAL HA H 33 4.504 4.552 -0.048 1
1 359 . 11 1 1 A 33 33 VAL C C 33 175.594 176.439 -0.845 1
1 360 . 11 1 1 A 33 33 VAL CA C 33 60.596 60.514 0.082 1
1 361 . 11 1 1 A 33 33 VAL CB C 33 34.900 31.430 3.470 1
1 364 . 11 1 1 A 33 33 VAL N N 33 108.519 113.166 -4.647 1
1 365 . 11 1 1 A 34 34 GLY H H 34 7.439 7.825 -0.386 1
1 366 . 11 1 1 A 34 34 GLY HA2 H 34 4.099 3.696 0.403 1
1 367 . 11 1 1 A 34 34 GLY HA3 H 34 3.846 3.799 0.047 1
1 368 . 11 1 1 A 34 34 GLY C C 34 173.655 173.645 0.010 1
1 369 . 11 1 1 A 34 34 GLY CA C 34 46.538 45.348 1.190 1
1 370 . 11 1 1 A 34 34 GLY N N 34 109.672 110.223 -0.551 1
1 371 . 11 1 1 A 35 35 TYR H H 35 6.215 7.524 -1.309 1
1 372 . 11 1 1 A 35 35 TYR HA H 35 4.415 4.849 -0.434 1
1 379 . 11 1 1 A 35 35 TYR C C 35 174.492 175.349 -0.857 1
1 380 . 11 1 1 A 35 35 TYR CA C 35 57.289 58.893 -1.604 1
1 381 . 11 1 1 A 35 35 TYR CB C 35 40.784 38.239 2.545 1
1 386 . 11 1 1 A 35 35 TYR N N 35 117.067 119.808 -2.741 1
1 387 . 11 1 1 A 36 36 GLN H H 36 9.145 8.496 0.649 1
1 388 . 11 1 1 A 36 36 GLN HA H 36 4.285 4.235 0.050 1
1 393 . 11 1 1 A 36 36 GLN CA C 36 53.760 54.617 -0.857 1
1 394 . 11 1 1 A 36 36 GLN CB C 36 27.558 28.368 -0.810 1
1 396 . 11 1 1 A 36 36 GLN N N 36 117.664 124.175 -6.511 1
1 397 . 11 1 1 A 37 37 PRO HA H 37 3.755 4.056 -0.301 1
1 404 . 11 1 1 A 37 37 PRO C C 37 178.629 178.231 0.398 1
1 405 . 11 1 1 A 37 37 PRO CA C 37 66.415 65.750 0.665 1
1 406 . 11 1 1 A 37 37 PRO CB C 37 31.313 31.660 -0.347 1
1 409 . 11 1 1 A 38 38 GLN H H 38 8.870 8.823 0.047 1
1 410 . 11 1 1 A 38 38 GLN HA H 38 3.996 4.076 -0.080 1
1 415 . 11 1 1 A 38 38 GLN C C 38 177.121 177.351 -0.230 1
1 416 . 11 1 1 A 38 38 GLN CA C 38 58.468 58.509 -0.041 1
1 417 . 11 1 1 A 38 38 GLN CB C 38 27.259 27.651 -0.392 1
1 419 . 11 1 1 A 38 38 GLN N N 38 113.031 115.383 -2.352 1
1 420 . 11 1 1 A 39 39 GLU H H 39 7.799 7.898 -0.099 1
1 421 . 11 1 1 A 39 39 GLU HA H 39 4.203 4.227 -0.024 1
1 426 . 11 1 1 A 39 39 GLU C C 39 175.485 177.207 -1.722 1
1 427 . 11 1 1 A 39 39 GLU CA C 39 57.598 58.305 -0.707 1
1 428 . 11 1 1 A 39 39 GLU CB C 39 30.955 29.541 1.414 1
1 430 . 11 1 1 A 39 39 GLU N N 39 117.366 119.561 -2.195 1
1 431 . 11 1 1 A 40 40 LEU H H 40 7.001 7.330 -0.329 1
1 432 . 11 1 1 A 40 40 LEU HA H 40 4.205 4.511 -0.306 1
1 442 . 11 1 1 A 40 40 LEU C C 40 176.417 177.270 -0.853 1
1 443 . 11 1 1 A 40 40 LEU CA C 40 55.345 55.581 -0.236 1
1 444 . 11 1 1 A 40 40 LEU CB C 40 43.190 43.528 -0.338 1
1 448 . 11 1 1 A 40 40 LEU N N 40 116.615 118.662 -2.047 1
1 449 . 11 1 1 A 41 41 LEU H H 41 7.521 7.952 -0.431 1
1 450 . 11 1 1 A 41 41 LEU HA H 41 3.678 4.280 -0.602 1
1 460 . 11 1 1 A 41 41 LEU C C 41 177.754 177.954 -0.200 1
1 461 . 11 1 1 A 41 41 LEU CA C 41 57.050 57.305 -0.255 1
1 462 . 11 1 1 A 41 41 LEU CB C 41 42.155 41.630 0.525 1
1 466 . 11 1 1 A 41 41 LEU N N 41 117.814 121.184 -3.370 1
1 467 . 11 1 1 A 42 42 GLY H H 42 8.535 9.322 -0.787 1
1 468 . 11 1 1 A 42 42 GLY HA2 H 42 4.328 4.015 0.313 1
1 469 . 11 1 1 A 42 42 GLY HA3 H 42 3.601 4.016 -0.415 1
1 470 . 11 1 1 A 42 42 GLY C C 42 173.808 173.866 -0.058 1
1 471 . 11 1 1 A 42 42 GLY CA C 42 45.689 45.279 0.410 1
1 472 . 11 1 1 A 42 42 GLY N N 42 110.496 111.878 -1.382 1
1 473 . 11 1 1 A 43 43 LYS H H 43 8.398 8.090 0.308 1
1 474 . 11 1 1 A 43 43 LYS HA H 43 4.680 4.592 0.088 1
1 483 . 11 1 1 A 43 43 LYS C C 43 173.943 175.646 -1.703 1
1 484 . 11 1 1 A 43 43 LYS CA C 43 54.361 54.690 -0.329 1
1 485 . 11 1 1 A 43 43 LYS CB C 43 33.960 34.059 -0.099 1
1 489 . 11 1 1 A 43 43 LYS N N 43 120.461 120.550 -0.089 1
1 490 . 11 1 1 A 44 44 ASN H H 44 8.892 8.585 0.307 1
1 491 . 11 1 1 A 44 44 ASN HA H 44 4.690 4.634 0.056 1
1 496 . 11 1 1 A 44 44 ASN C C 44 176.922 175.633 1.289 1
1 497 . 11 1 1 A 44 44 ASN CA C 44 52.256 53.201 -0.945 1
1 498 . 11 1 1 A 44 44 ASN CB C 44 40.451 39.446 1.005 1
1 499 . 11 1 1 A 44 44 ASN N N 44 119.869 121.870 -2.001 1
1 501 . 11 1 1 A 45 45 ILE H H 45 8.543 8.227 0.316 1
1 502 . 11 1 1 A 45 45 ILE HA H 45 3.887 3.661 0.226 1
1 511 . 11 1 1 A 45 45 ILE C C 45 176.137 177.040 -0.903 1
1 512 . 11 1 1 A 45 45 ILE CA C 45 65.116 64.375 0.741 1
1 513 . 11 1 1 A 45 45 ILE CB C 45 36.637 37.664 -1.027 1
1 517 . 11 1 1 A 45 45 ILE N N 45 129.131 127.356 1.775 1
1 518 . 11 1 1 A 46 46 VAL H H 46 9.059 7.277 1.782 1
1 519 . 11 1 1 A 46 46 VAL HA H 46 3.439 3.721 -0.282 1
1 527 . 11 1 1 A 46 46 VAL C C 46 178.407 178.083 0.324 1
1 528 . 11 1 1 A 46 46 VAL CA C 46 65.705 65.419 0.286 1
1 529 . 11 1 1 A 46 46 VAL CB C 46 31.022 31.169 -0.147 1
1 532 . 11 1 1 A 46 46 VAL N N 46 118.981 117.756 1.225 1
1 533 . 11 1 1 A 47 47 GLU H H 47 7.923 8.399 -0.476 1
1 534 . 11 1 1 A 47 47 GLU HA H 47 3.989 3.908 0.081 1
1 539 . 11 1 1 A 47 47 GLU C C 47 177.664 178.853 -1.189 1
1 540 . 11 1 1 A 47 47 GLU CA C 47 57.999 59.220 -1.221 1
1 541 . 11 1 1 A 47 47 GLU CB C 47 28.849 29.089 -0.240 1
1 543 . 11 1 1 A 47 47 GLU N N 47 117.733 121.125 -3.392 1
1 544 . 11 1 1 A 48 48 PHE H H 48 7.689 7.450 0.239 1
1 545 . 11 1 1 A 48 48 PHE HA H 48 4.177 4.220 -0.043 1
1 553 . 11 1 1 A 48 48 PHE C C 48 172.739 176.058 -3.319 1
1 554 . 11 1 1 A 48 48 PHE CA C 48 57.725 59.959 -2.234 1
1 555 . 11 1 1 A 48 48 PHE CB C 48 39.428 39.245 0.183 1
1 561 . 11 1 1 A 48 48 PHE N N 48 117.768 115.764 2.004 1
1 562 . 11 1 1 A 49 49 CYS H H 49 7.413 7.308 0.105 1
1 563 . 11 1 1 A 49 49 CYS HA H 49 5.671 4.953 0.718 1
1 566 . 11 1 1 A 49 49 CYS CA C 49 56.429 60.107 -3.678 1
1 567 . 11 1 1 A 49 49 CYS CB C 49 28.747 28.076 0.671 1
1 568 . 11 1 1 A 49 49 CYS N N 49 119.705 118.241 1.464 1
1 569 . 11 1 1 A 50 50 HIS H H 50 8.640 8.616 0.024 1
1 570 . 11 1 1 A 50 50 HIS HA H 50 3.655 4.082 -0.427 1
1 574 . 11 1 1 A 50 50 HIS CA C 50 56.934 54.788 2.146 1
1 575 . 11 1 1 A 50 50 HIS CB C 50 32.071 30.324 1.747 1
1 577 . 11 1 1 A 50 50 HIS N N 50 134.180 124.918 9.262 1
1 578 . 11 1 1 A 51 51 PRO HA H 51 4.044 4.176 -0.132 1
1 584 . 11 1 1 A 51 51 PRO C C 51 179.121 178.933 0.188 1
1 585 . 11 1 1 A 51 51 PRO CA C 51 65.989 66.099 -0.110 1
1 586 . 11 1 1 A 51 51 PRO CB C 51 32.605 31.751 0.854 1
1 589 . 11 1 1 A 52 52 GLU H H 52 10.986 8.687 2.299 1
1 590 . 11 1 1 A 52 52 GLU HA H 52 4.125 4.108 0.017 1
1 595 . 11 1 1 A 52 52 GLU C C 52 177.643 177.202 0.441 1
1 596 . 11 1 1 A 52 52 GLU CA C 52 58.522 58.991 -0.469 1
1 597 . 11 1 1 A 52 52 GLU CB C 52 29.347 28.751 0.596 1
1 599 . 11 1 1 A 52 52 GLU N N 52 119.351 117.611 1.740 1
1 600 . 11 1 1 A 53 53 ASP H H 53 8.203 8.164 0.039 1
1 601 . 11 1 1 A 53 53 ASP HA H 53 4.898 4.706 0.192 1
1 604 . 11 1 1 A 53 53 ASP C C 53 175.641 177.016 -1.375 1
1 605 . 11 1 1 A 53 53 ASP CA C 53 54.092 54.380 -0.288 1
1 606 . 11 1 1 A 53 53 ASP CB C 53 43.596 41.937 1.659 1
1 607 . 11 1 1 A 53 53 ASP N N 53 117.757 116.918 0.839 1
1 608 . 11 1 1 A 54 54 GLN H H 54 6.922 7.963 -1.041 1
1 609 . 11 1 1 A 54 54 GLN HA H 54 3.985 3.956 0.029 1
1 616 . 11 1 1 A 54 54 GLN C C 54 177.417 178.629 -1.212 1
1 617 . 11 1 1 A 54 54 GLN CA C 54 60.084 58.647 1.437 1
1 618 . 11 1 1 A 54 54 GLN CB C 54 28.448 28.046 0.402 1
1 620 . 11 1 1 A 54 54 GLN N N 54 118.680 119.205 -0.525 1
1 622 . 11 1 1 A 55 55 GLN H H 55 8.663 7.951 0.712 1
1 623 . 11 1 1 A 55 55 GLN HA H 55 3.778 4.071 -0.293 1
1 630 . 11 1 1 A 55 55 GLN C C 55 177.398 178.150 -0.752 1
1 631 . 11 1 1 A 55 55 GLN CA C 55 58.812 58.556 0.256 1
1 632 . 11 1 1 A 55 55 GLN CB C 55 27.402 28.490 -1.088 1
1 634 . 11 1 1 A 55 55 GLN N N 55 119.173 120.123 -0.950 1
1 636 . 11 1 1 A 56 56 LEU H H 56 7.935 7.778 0.157 1
1 637 . 11 1 1 A 56 56 LEU HA H 56 4.071 4.080 -0.009 1
1 647 . 11 1 1 A 56 56 LEU C C 56 180.037 178.039 1.998 1
1 648 . 11 1 1 A 56 56 LEU CA C 56 57.698 57.369 0.329 1
1 649 . 11 1 1 A 56 56 LEU CB C 56 41.586 42.209 -0.623 1
1 653 . 11 1 1 A 56 56 LEU N N 56 119.661 120.626 -0.965 1
1 654 . 11 1 1 A 57 57 LEU H H 57 7.382 7.865 -0.483 1
1 655 . 11 1 1 A 57 57 LEU HA H 57 3.575 3.654 -0.079 1
1 665 . 11 1 1 A 57 57 LEU C C 57 178.470 178.213 0.257 1
1 666 . 11 1 1 A 57 57 LEU CA C 57 57.703 58.094 -0.391 1
1 667 . 11 1 1 A 57 57 LEU CB C 57 42.077 41.530 0.547 1
1 671 . 11 1 1 A 57 57 LEU N N 57 119.857 119.942 -0.085 1
1 672 . 11 1 1 A 58 58 ARG H H 58 8.118 8.413 -0.295 1
1 673 . 11 1 1 A 58 58 ARG HA H 58 3.338 3.831 -0.493 1
1 680 . 11 1 1 A 58 58 ARG C C 58 179.713 178.657 1.056 1
1 681 . 11 1 1 A 58 58 ARG CA C 58 60.120 59.831 0.289 1
1 682 . 11 1 1 A 58 58 ARG CB C 58 30.320 29.834 0.486 1
1 685 . 11 1 1 A 58 58 ARG N N 58 118.198 117.778 0.420 1
1 686 . 11 1 1 A 59 59 ASP H H 59 8.748 8.020 0.728 1
1 687 . 11 1 1 A 59 59 ASP HA H 59 4.336 4.272 0.064 1
1 690 . 11 1 1 A 59 59 ASP C C 59 179.130 177.600 1.530 1
1 691 . 11 1 1 A 59 59 ASP CA C 59 57.197 57.568 -0.371 1
1 692 . 11 1 1 A 59 59 ASP CB C 59 40.212 41.819 -1.607 1
1 693 . 11 1 1 A 59 59 ASP N N 59 119.165 119.856 -0.691 1
1 694 . 11 1 1 A 60 60 SER H H 60 7.552 7.902 -0.350 1
1 695 . 11 1 1 A 60 60 SER HA H 60 4.116 4.017 0.099 1
1 698 . 11 1 1 A 60 60 SER C C 60 175.883 177.654 -1.771 1
1 699 . 11 1 1 A 60 60 SER CA C 60 61.975 61.317 0.658 1
1 700 . 11 1 1 A 60 60 SER CB C 60 63.098 62.481 0.617 1
1 701 . 11 1 1 A 60 60 SER N N 60 117.761 113.969 3.792 1
1 702 . 11 1 1 A 61 61 PHE H H 61 7.063 7.479 -0.416 1
1 703 . 11 1 1 A 61 61 PHE HA H 61 4.614 4.390 0.224 1
1 711 . 11 1 1 A 61 61 PHE C C 61 177.561 178.445 -0.884 1
1 712 . 11 1 1 A 61 61 PHE CA C 61 56.777 61.645 -4.868 1
1 713 . 11 1 1 A 61 61 PHE CB C 61 36.564 38.309 -1.745 1
1 719 . 11 1 1 A 61 61 PHE N N 61 122.009 119.577 2.432 1
1 720 . 11 1 1 A 62 62 GLN H H 62 7.376 8.340 -0.964 1
1 721 . 11 1 1 A 62 62 GLN HA H 62 4.038 4.006 0.032 1
1 726 . 11 1 1 A 62 62 GLN C C 62 179.093 178.945 0.148 1
1 727 . 11 1 1 A 62 62 GLN CA C 62 58.240 59.390 -1.150 1
1 728 . 11 1 1 A 62 62 GLN CB C 62 28.094 28.381 -0.287 1
1 730 . 11 1 1 A 62 62 GLN N N 62 114.929 118.292 -3.363 1
1 731 . 11 1 1 A 63 63 GLN H H 63 7.893 7.790 0.103 1
1 732 . 11 1 1 A 63 63 GLN HA H 63 4.083 4.212 -0.129 1
1 737 . 11 1 1 A 63 63 GLN C C 63 178.244 178.644 -0.400 1
1 738 . 11 1 1 A 63 63 GLN CA C 63 58.408 58.323 0.085 1
1 739 . 11 1 1 A 63 63 GLN CB C 63 28.755 28.505 0.250 1
1 741 . 11 1 1 A 63 63 GLN N N 63 117.434 120.137 -2.703 1
1 742 . 11 1 1 A 64 64 VAL H H 64 8.220 8.127 0.093 1
1 743 . 11 1 1 A 64 64 VAL HA H 64 3.663 4.113 -0.450 1
1 751 . 11 1 1 A 64 64 VAL C C 64 177.137 178.049 -0.912 1
1 752 . 11 1 1 A 64 64 VAL CA C 64 66.107 65.555 0.552 1
1 753 . 11 1 1 A 64 64 VAL CB C 64 31.475 31.623 -0.148 1
1 756 . 11 1 1 A 64 64 VAL N N 64 118.766 117.107 1.659 1
1 757 . 11 1 1 A 65 65 VAL H H 65 6.860 7.592 -0.732 1
1 758 . 11 1 1 A 65 65 VAL HA H 65 3.833 3.902 -0.069 1
1 766 . 11 1 1 A 65 65 VAL C C 65 177.624 178.022 -0.398 1
1 767 . 11 1 1 A 65 65 VAL CA C 65 64.200 64.693 -0.493 1
1 768 . 11 1 1 A 65 65 VAL CB C 65 31.730 31.719 0.011 1
1 771 . 11 1 1 A 65 65 VAL N N 65 112.590 122.252 -9.662 1
1 772 . 11 1 1 A 66 66 LYS H H 66 7.431 7.779 -0.348 1
1 773 . 11 1 1 A 66 66 LYS HA H 66 4.184 3.993 0.191 1
1 782 . 11 1 1 A 66 66 LYS C C 66 177.374 178.200 -0.826 1
1 783 . 11 1 1 A 66 66 LYS CA C 66 58.190 59.646 -1.456 1
1 784 . 11 1 1 A 66 66 LYS CB C 66 33.232 32.459 0.773 1
1 788 . 11 1 1 A 66 66 LYS N N 66 119.643 121.897 -2.254 1
1 789 . 11 1 1 A 67 67 LEU H H 67 7.859 8.069 -0.210 1
1 790 . 11 1 1 A 67 67 LEU HA H 67 4.552 4.324 0.228 1
1 800 . 11 1 1 A 67 67 LEU C C 67 175.532 175.894 -0.362 1
1 801 . 11 1 1 A 67 67 LEU CA C 67 53.108 55.217 -2.109 1
1 802 . 11 1 1 A 67 67 LEU CB C 67 40.979 41.778 -0.799 1
1 806 . 11 1 1 A 67 67 LEU N N 67 121.288 118.042 3.246 1
1 807 . 11 1 1 A 68 68 LYS H H 68 7.475 8.105 -0.630 1
1 808 . 11 1 1 A 68 68 LYS HA H 68 4.156 3.986 0.170 1
1 817 . 11 1 1 A 68 68 LYS C C 68 177.987 176.593 1.394 1
1 818 . 11 1 1 A 68 68 LYS CA C 68 58.388 57.440 0.948 1
1 819 . 11 1 1 A 68 68 LYS CB C 68 32.207 30.987 1.220 1
1 823 . 11 1 1 A 68 68 LYS N N 68 119.626 116.808 2.818 1
1 824 . 11 1 1 A 69 69 GLY H H 69 8.696 8.198 0.498 1
1 825 . 11 1 1 A 69 69 GLY HA2 H 69 4.294 4.056 0.238 1
1 826 . 11 1 1 A 69 69 GLY HA3 H 69 3.896 4.060 -0.164 1
1 827 . 11 1 1 A 69 69 GLY CA C 69 45.335 45.252 0.083 1
1 828 . 11 1 1 A 69 69 GLY N N 69 113.681 104.820 8.861 1
1 829 . 11 1 1 A 70 70 GLN H H 70 8.031 7.934 0.097 1
1 830 . 11 1 1 A 70 70 GLN HA H 70 4.508 4.276 0.232 1
1 835 . 11 1 1 A 70 70 GLN C C 70 174.684 175.109 -0.425 1
1 836 . 11 1 1 A 70 70 GLN CA C 70 55.347 56.522 -1.175 1
1 837 . 11 1 1 A 70 70 GLN CB C 70 30.111 29.394 0.717 1
1 839 . 11 1 1 A 70 70 GLN N N 70 119.949 121.848 -1.899 1
1 840 . 11 1 1 A 71 71 VAL H H 71 8.232 8.400 -0.168 1
1 841 . 11 1 1 A 71 71 VAL HA H 71 4.822 4.608 0.214 1
1 849 . 11 1 1 A 71 71 VAL C C 71 176.406 174.868 1.538 1
1 850 . 11 1 1 A 71 71 VAL CA C 71 61.198 62.384 -1.186 1
1 851 . 11 1 1 A 71 71 VAL CB C 71 32.964 32.825 0.139 1
1 854 . 11 1 1 A 71 71 VAL N N 71 121.816 126.828 -5.012 1
1 855 . 11 1 1 A 72 72 LEU H H 72 9.052 9.280 -0.228 1
1 856 . 11 1 1 A 72 72 LEU HA H 72 4.827 5.254 -0.427 1
1 865 . 11 1 1 A 72 72 LEU C C 72 175.411 175.666 -0.255 1
1 866 . 11 1 1 A 72 72 LEU CA C 72 52.895 53.309 -0.414 1
1 867 . 11 1 1 A 72 72 LEU CB C 72 44.755 45.217 -0.462 1
1 870 . 11 1 1 A 72 72 LEU N N 72 130.331 129.549 0.782 1
1 871 . 11 1 1 A 73 73 SER H H 73 8.057 9.029 -0.972 1
1 872 . 11 1 1 A 73 73 SER HA H 73 5.211 5.782 -0.571 1
1 875 . 11 1 1 A 73 73 SER C C 73 174.562 173.051 1.511 1
1 876 . 11 1 1 A 73 73 SER CA C 73 56.591 56.707 -0.116 1
1 877 . 11 1 1 A 73 73 SER CB C 73 66.336 64.987 1.349 1
1 878 . 11 1 1 A 73 73 SER N N 73 113.040 118.773 -5.733 1
1 879 . 11 1 1 A 74 74 VAL H H 74 8.799 8.663 0.136 1
1 880 . 11 1 1 A 74 74 VAL HA H 74 4.705 4.972 -0.267 1
1 888 . 11 1 1 A 74 74 VAL C C 74 174.122 174.010 0.112 1
1 889 . 11 1 1 A 74 74 VAL CA C 74 59.403 59.529 -0.126 1
1 890 . 11 1 1 A 74 74 VAL CB C 74 35.474 35.791 -0.317 1
1 893 . 11 1 1 A 74 74 VAL N N 74 122.721 122.163 0.558 1
1 894 . 11 1 1 A 75 75 MET H H 75 8.195 8.798 -0.603 1
1 895 . 11 1 1 A 75 75 MET HA H 75 5.922 6.053 -0.131 1
1 903 . 11 1 1 A 75 75 MET C C 75 175.531 175.717 -0.186 1
1 904 . 11 1 1 A 75 75 MET CA C 75 54.021 54.060 -0.039 1
1 905 . 11 1 1 A 75 75 MET CB C 75 34.750 34.110 0.640 1
1 908 . 11 1 1 A 75 75 MET N N 75 120.057 123.681 -3.624 1
1 909 . 11 1 1 A 76 76 PHE H H 76 9.394 9.020 0.374 1
1 910 . 11 1 1 A 76 76 PHE HA H 76 5.004 5.155 -0.151 1
1 918 . 11 1 1 A 76 76 PHE C C 76 171.623 172.382 -0.759 1
1 919 . 11 1 1 A 76 76 PHE CA C 76 55.802 55.515 0.287 1
1 920 . 11 1 1 A 76 76 PHE CB C 76 42.072 41.943 0.129 1
1 926 . 11 1 1 A 76 76 PHE N N 76 120.244 119.913 0.331 1
1 927 . 11 1 1 A 77 77 ARG H H 77 8.783 8.315 0.468 1
1 928 . 11 1 1 A 77 77 ARG HA H 77 4.420 4.267 0.153 1
1 936 . 11 1 1 A 77 77 ARG C C 77 173.455 174.564 -1.109 1
1 937 . 11 1 1 A 77 77 ARG CA C 77 54.218 55.108 -0.890 1
1 938 . 11 1 1 A 77 77 ARG CB C 77 32.439 30.373 2.066 1
1 941 . 11 1 1 A 77 77 ARG N N 77 121.379 118.975 2.404 1
1 943 . 11 1 1 A 78 78 PHE H H 78 9.258 9.210 0.048 1
1 944 . 11 1 1 A 78 78 PHE HA H 78 5.438 5.158 0.280 1
1 952 . 11 1 1 A 78 78 PHE C C 78 175.873 174.501 1.372 1
1 953 . 11 1 1 A 78 78 PHE CA C 78 55.173 56.820 -1.647 1
1 954 . 11 1 1 A 78 78 PHE CB C 78 44.530 39.747 4.783 1
1 960 . 11 1 1 A 78 78 PHE N N 78 128.097 126.400 1.697 1
1 961 . 11 1 1 A 79 79 ARG H H 79 9.242 8.792 0.450 1
1 962 . 11 1 1 A 79 79 ARG HA H 79 4.201 4.581 -0.380 1
1 969 . 11 1 1 A 79 79 ARG C C 79 175.316 176.494 -1.178 1
1 970 . 11 1 1 A 79 79 ARG CA C 79 55.255 56.516 -1.261 1
1 971 . 11 1 1 A 79 79 ARG CB C 79 29.358 30.390 -1.032 1
1 974 . 11 1 1 A 79 79 ARG N N 79 129.898 130.447 -0.549 1
1 975 . 11 1 1 A 80 80 SER H H 80 9.253 8.732 0.521 1
1 976 . 11 1 1 A 80 80 SER HA H 80 4.772 5.085 -0.313 1
1 979 . 11 1 1 A 80 80 SER C C 80 174.983 175.815 -0.832 1
1 980 . 11 1 1 A 80 80 SER CA C 80 58.191 58.261 -0.070 1
1 981 . 11 1 1 A 80 80 SER CB C 80 64.930 64.526 0.404 1
1 982 . 11 1 1 A 80 80 SER N N 80 128.002 123.806 4.196 1
1 983 . 11 1 1 A 81 81 LYS H H 81 8.065 8.869 -0.804 1
1 984 . 11 1 1 A 81 81 LYS HA H 81 3.675 3.556 0.119 1
1 993 . 11 1 1 A 81 81 LYS C C 81 177.417 177.517 -0.100 1
1 994 . 11 1 1 A 81 81 LYS CA C 81 59.236 58.697 0.539 1
1 995 . 11 1 1 A 81 81 LYS CB C 81 31.641 31.942 -0.301 1
1 999 . 11 1 1 A 81 81 LYS N N 81 123.505 123.701 -0.196 1
1 1000 . 11 1 1 A 82 82 ASN H H 82 7.934 7.830 0.104 1
1 1001 . 11 1 1 A 82 82 ASN HA H 82 4.679 4.756 -0.077 1
1 1006 . 11 1 1 A 82 82 ASN C C 82 173.949 174.233 -0.284 1
1 1007 . 11 1 1 A 82 82 ASN CA C 82 52.764 52.727 0.037 1
1 1008 . 11 1 1 A 82 82 ASN CB C 82 37.428 38.487 -1.059 1
1 1009 . 11 1 1 A 82 82 ASN N N 82 115.202 114.352 0.850 1
1 1011 . 11 1 1 A 83 83 GLN H H 83 8.099 8.195 -0.096 1
1 1012 . 11 1 1 A 83 83 GLN HA H 83 3.382 3.756 -0.374 1
1 1019 . 11 1 1 A 83 83 GLN C C 83 174.208 173.962 0.246 1
1 1020 . 11 1 1 A 83 83 GLN CA C 83 56.400 56.822 -0.422 1
1 1021 . 11 1 1 A 83 83 GLN CB C 83 25.003 26.292 -1.289 1
1 1023 . 11 1 1 A 83 83 GLN N N 83 112.357 115.799 -3.442 1
1 1025 . 11 1 1 A 84 84 GLU H H 84 7.385 7.593 -0.208 1
1 1026 . 11 1 1 A 84 84 GLU HA H 84 4.322 4.700 -0.378 1
1 1031 . 11 1 1 A 84 84 GLU CA C 84 54.720 54.764 -0.044 1
1 1032 . 11 1 1 A 84 84 GLU CB C 84 31.713 32.320 -0.607 1
1 1034 . 11 1 1 A 84 84 GLU N N 84 117.557 116.847 0.710 1
1 1035 . 11 1 1 A 85 85 TRP H H 85 8.645 8.760 -0.115 1
1 1036 . 11 1 1 A 85 85 TRP HA H 85 5.145 4.775 0.370 1
1 1045 . 11 1 1 A 85 85 TRP C C 85 175.772 175.706 0.066 1
1 1046 . 11 1 1 A 85 85 TRP CA C 85 55.591 57.090 -1.499 1
1 1047 . 11 1 1 A 85 85 TRP CB C 85 30.113 28.022 2.091 1
1 1053 . 11 1 1 A 85 85 TRP N N 85 121.388 123.637 -2.249 1
1 1055 . 11 1 1 A 86 86 LEU H H 86 9.348 8.699 0.649 1
1 1056 . 11 1 1 A 86 86 LEU HA H 86 4.847 4.738 0.109 1
1 1066 . 11 1 1 A 86 86 LEU C C 86 176.991 176.528 0.463 1
1 1067 . 11 1 1 A 86 86 LEU CA C 86 53.102 54.623 -1.521 1
1 1068 . 11 1 1 A 86 86 LEU CB C 86 44.527 41.227 3.300 1
1 1071 . 11 1 1 A 86 86 LEU N N 86 126.537 125.693 0.844 1
1 1072 . 11 1 1 A 87 87 TRP H H 87 8.870 8.930 -0.060 1
1 1073 . 11 1 1 A 87 87 TRP HA H 87 4.465 4.988 -0.523 1
1 1082 . 11 1 1 A 87 87 TRP C C 87 175.731 176.958 -1.227 1
1 1083 . 11 1 1 A 87 87 TRP CA C 87 59.207 58.183 1.024 1
1 1084 . 11 1 1 A 87 87 TRP CB C 87 29.736 30.235 -0.499 1
1 1090 . 11 1 1 A 87 87 TRP N N 87 123.902 126.772 -2.870 1
1 1092 . 11 1 1 A 88 88 MET H H 88 9.432 9.117 0.315 1
1 1093 . 11 1 1 A 88 88 MET HA H 88 5.267 5.623 -0.356 1
1 1101 . 11 1 1 A 88 88 MET C C 88 174.713 174.156 0.557 1
1 1102 . 11 1 1 A 88 88 MET CA C 88 52.557 54.231 -1.674 1
1 1103 . 11 1 1 A 88 88 MET CB C 88 36.139 37.334 -1.195 1
1 1106 . 11 1 1 A 88 88 MET N N 88 123.412 121.839 1.573 1
1 1107 . 11 1 1 A 89 89 ARG H H 89 9.282 8.949 0.333 1
1 1108 . 11 1 1 A 89 89 ARG HA H 89 5.702 5.203 0.499 1
1 1115 . 11 1 1 A 89 89 ARG C C 89 177.137 175.840 1.297 1
1 1116 . 11 1 1 A 89 89 ARG CA C 89 54.266 54.668 -0.402 1
1 1117 . 11 1 1 A 89 89 ARG CB C 89 34.404 32.201 2.203 1
1 1120 . 11 1 1 A 89 89 ARG N N 89 119.570 121.260 -1.690 1
1 1121 . 11 1 1 A 90 90 THR H H 90 9.298 9.076 0.222 1
1 1122 . 11 1 1 A 90 90 THR HA H 90 5.625 5.217 0.408 1
1 1127 . 11 1 1 A 90 90 THR C C 90 176.787 174.456 2.331 1
1 1128 . 11 1 1 A 90 90 THR CA C 90 60.327 60.682 -0.355 1
1 1129 . 11 1 1 A 90 90 THR CB C 90 72.187 70.393 1.794 1
1 1131 . 11 1 1 A 90 90 THR N N 90 115.133 117.763 -2.630 1
1 1132 . 11 1 1 A 91 91 SER H H 91 8.194 8.780 -0.586 1
1 1133 . 11 1 1 A 91 91 SER HA H 91 4.860 5.234 -0.374 1
1 1136 . 11 1 1 A 91 91 SER C C 91 175.171 173.307 1.864 1
1 1137 . 11 1 1 A 91 91 SER CA C 91 59.224 57.259 1.965 1
1 1138 . 11 1 1 A 91 91 SER CB C 91 64.094 63.253 0.841 1
1 1139 . 11 1 1 A 91 91 SER N N 91 114.043 121.254 -7.211 1
1 1140 . 11 1 1 A 92 92 SER H H 92 9.864 8.084 1.780 1
1 1141 . 11 1 1 A 92 92 SER HA H 92 6.204 4.853 1.351 1
1 1144 . 11 1 1 A 92 92 SER C C 92 171.748 174.126 -2.378 1
1 1145 . 11 1 1 A 92 92 SER CA C 92 58.818 59.669 -0.851 1
1 1146 . 11 1 1 A 92 92 SER CB C 92 66.419 64.000 2.419 1
1 1147 . 11 1 1 A 92 92 SER N N 92 125.442 121.644 3.798 1
1 1148 . 11 1 1 A 93 93 GLN H H 93 8.873 8.621 0.252 1
1 1149 . 11 1 1 A 93 93 GLN HA H 93 5.048 5.065 -0.017 1
1 1156 . 11 1 1 A 93 93 GLN C C 93 174.145 174.499 -0.354 1
1 1157 . 11 1 1 A 93 93 GLN CA C 93 54.262 54.446 -0.184 1
1 1158 . 11 1 1 A 93 93 GLN CB C 93 33.131 32.386 0.745 1
1 1160 . 11 1 1 A 93 93 GLN N N 93 117.328 122.057 -4.729 1
1 1162 . 11 1 1 A 94 94 THR H H 94 8.846 8.654 0.192 1
1 1163 . 11 1 1 A 94 94 THR HA H 94 3.979 4.602 -0.623 1
1 1168 . 11 1 1 A 94 94 THR C C 94 174.677 174.547 0.130 1
1 1169 . 11 1 1 A 94 94 THR CA C 94 64.467 62.614 1.853 1
1 1170 . 11 1 1 A 94 94 THR CB C 94 68.894 69.079 -0.185 1
1 1172 . 11 1 1 A 94 94 THR N N 94 116.526 113.117 3.409 1
1 1173 . 11 1 1 A 95 95 ALA H H 95 8.188 8.657 -0.469 1
1 1174 . 11 1 1 A 95 95 ALA HA H 95 4.161 4.342 -0.181 1
1 1178 . 11 1 1 A 95 95 ALA C C 95 176.285 177.918 -1.633 1
1 1179 . 11 1 1 A 95 95 ALA CA C 95 51.847 52.372 -0.525 1
1 1180 . 11 1 1 A 95 95 ALA CB C 95 18.999 20.463 -1.464 1
1 1181 . 11 1 1 A 95 95 ALA N N 95 126.311 128.740 -2.429 1
1 1182 . 11 1 1 A 96 96 GLN H H 96 8.324 8.681 -0.357 1
1 1183 . 11 1 1 A 96 96 GLN HA H 96 4.175 4.269 -0.094 1
1 1190 . 11 1 1 A 96 96 GLN C C 96 176.230 176.046 0.184 1
1 1191 . 11 1 1 A 96 96 GLN CA C 96 54.621 57.900 -3.279 1
1 1192 . 11 1 1 A 96 96 GLN CB C 96 30.003 28.934 1.069 1
1 1194 . 11 1 1 A 96 96 GLN N N 96 116.920 119.212 -2.292 1
1 1196 . 11 1 1 A 97 97 ASN H H 97 8.512 7.931 0.581 1
1 1197 . 11 1 1 A 97 97 ASN HA H 97 4.436 4.820 -0.384 1
1 1200 . 11 1 1 A 97 97 ASN CA C 97 52.928 51.128 1.800 1
1 1201 . 11 1 1 A 97 97 ASN CB C 97 37.851 40.878 -3.027 1
1 1202 . 11 1 1 A 97 97 ASN N N 97 119.656 112.348 7.308 1
1 1203 . 11 1 1 A 98 98 PRO HA H 98 4.566 4.344 0.222 1
1 1210 . 11 1 1 A 98 98 PRO C C 98 175.164 175.983 -0.819 1
1 1211 . 11 1 1 A 98 98 PRO CA C 98 63.824 63.402 0.422 1
1 1212 . 11 1 1 A 98 98 PRO CB C 98 32.473 32.550 -0.077 1
1 1215 . 11 1 1 A 99 99 TYR H H 99 8.780 7.351 1.429 1
1 1216 . 11 1 1 A 99 99 TYR HA H 99 4.996 4.702 0.294 1
1 1223 . 11 1 1 A 99 99 TYR C C 99 176.421 176.221 0.200 1
1 1224 . 11 1 1 A 99 99 TYR CA C 99 55.837 57.545 -1.708 1
1 1225 . 11 1 1 A 99 99 TYR CB C 99 37.199 37.573 -0.374 1
1 1230 . 11 1 1 A 99 99 TYR N N 99 127.975 119.218 8.757 1
1 1231 . 11 1 1 A 100 100 SER H H 100 7.655 8.039 -0.384 1
1 1232 . 11 1 1 A 100 100 SER HA H 100 4.274 4.511 -0.237 1
1 1235 . 11 1 1 A 100 100 SER C C 100 174.144 176.104 -1.960 1
1 1236 . 11 1 1 A 100 100 SER CA C 100 60.567 61.488 -0.921 1
1 1237 . 11 1 1 A 100 100 SER CB C 100 63.266 62.916 0.350 1
1 1238 . 11 1 1 A 100 100 SER N N 100 113.164 117.171 -4.007 1
1 1239 . 11 1 1 A 101 101 ASP H H 101 8.736 8.155 0.581 1
1 1240 . 11 1 1 A 101 101 ASP HA H 101 4.688 4.630 0.058 1
1 1243 . 11 1 1 A 101 101 ASP C C 101 175.535 176.594 -1.059 1
1 1244 . 11 1 1 A 101 101 ASP CA C 101 54.103 55.857 -1.754 1
1 1245 . 11 1 1 A 101 101 ASP CB C 101 40.098 40.496 -0.398 1
1 1246 . 11 1 1 A 101 101 ASP N N 101 118.476 119.821 -1.345 1
1 1247 . 11 1 1 A 102 102 GLU H H 102 8.127 8.165 -0.038 1
1 1248 . 11 1 1 A 102 102 GLU HA H 102 4.448 4.740 -0.292 1
1 1253 . 11 1 1 A 102 102 GLU CA C 102 54.963 55.387 -0.424 1
1 1254 . 11 1 1 A 102 102 GLU CB C 102 31.769 31.523 0.246 1
1 1256 . 11 1 1 A 102 102 GLU N N 102 119.744 117.938 1.806 1
1 1257 . 11 1 1 A 103 103 ILE H H 103 8.645 8.571 0.074 1
1 1258 . 11 1 1 A 103 103 ILE HA H 103 4.001 4.720 -0.719 1
1 1268 . 11 1 1 A 103 103 ILE C C 103 174.065 174.490 -0.425 1
1 1269 . 11 1 1 A 103 103 ILE CA C 103 60.418 60.832 -0.414 1
1 1270 . 11 1 1 A 103 103 ILE CB C 103 40.781 40.183 0.598 1
1 1274 . 11 1 1 A 103 103 ILE N N 103 121.388 120.806 0.582 1
1 1275 . 11 1 1 A 104 104 GLU H H 104 8.957 8.966 -0.009 1
1 1276 . 11 1 1 A 104 104 GLU HA H 104 5.099 4.530 0.569 1
1 1281 . 11 1 1 A 104 104 GLU C C 104 175.093 175.258 -0.165 1
1 1282 . 11 1 1 A 104 104 GLU CA C 104 54.898 56.320 -1.422 1
1 1283 . 11 1 1 A 104 104 GLU CB C 104 32.330 30.091 2.239 1
1 1285 . 11 1 1 A 104 104 GLU N N 104 125.935 128.466 -2.531 1
1 1286 . 11 1 1 A 105 105 THR H H 105 8.774 8.960 -0.186 1
1 1287 . 11 1 1 A 105 105 THR HA H 105 5.226 5.121 0.105 1
1 1292 . 11 1 1 A 105 105 THR C C 105 174.876 173.750 1.126 1
1 1293 . 11 1 1 A 105 105 THR CA C 105 61.469 62.436 -0.967 1
1 1294 . 11 1 1 A 105 105 THR CB C 105 70.382 69.846 0.536 1
1 1296 . 11 1 1 A 105 105 THR N N 105 127.200 121.372 5.828 1
1 1297 . 11 1 1 A 106 106 ILE H H 106 9.186 9.034 0.152 1
1 1298 . 11 1 1 A 106 106 ILE HA H 106 4.486 4.608 -0.122 1
1 1308 . 11 1 1 A 106 106 ILE C C 106 175.412 175.134 0.278 1
1 1309 . 11 1 1 A 106 106 ILE CA C 106 61.423 60.519 0.904 1
1 1310 . 11 1 1 A 106 106 ILE CB C 106 38.432 37.678 0.754 1
1 1313 . 11 1 1 A 106 106 ILE N N 106 107.991 128.376 -20.385 1
1 1314 . 11 1 1 A 107 107 ILE H H 107 8.431 8.252 0.179 1
1 1315 . 11 1 1 A 107 107 ILE HA H 107 4.239 4.432 -0.193 1
1 1325 . 11 1 1 A 107 107 ILE C C 107 173.805 174.671 -0.866 1
1 1326 . 11 1 1 A 107 107 ILE CA C 107 61.459 60.747 0.712 1
1 1327 . 11 1 1 A 107 107 ILE CB C 107 37.499 36.972 0.527 1
1 1331 . 11 1 1 A 107 107 ILE N N 107 129.202 128.419 0.783 1
1 1332 . 11 1 1 A 108 108 CYS H H 108 8.581 9.078 -0.497 1
1 1333 . 11 1 1 A 108 108 CYS HA H 108 5.298 5.205 0.093 1
1 1336 . 11 1 1 A 108 108 CYS C C 108 174.235 173.945 0.290 1
1 1337 . 11 1 1 A 108 108 CYS CA C 108 55.861 56.959 -1.098 1
1 1338 . 11 1 1 A 108 108 CYS CB C 108 31.110 30.871 0.239 1
1 1339 . 11 1 1 A 108 108 CYS N N 108 124.561 127.965 -3.404 1
1 1340 . 11 1 1 A 109 109 THR H H 109 8.701 8.718 -0.017 1
1 1341 . 11 1 1 A 109 109 THR HA H 109 4.733 4.562 0.171 1
1 1346 . 11 1 1 A 109 109 THR C C 109 174.927 174.884 0.043 1
1 1347 . 11 1 1 A 109 109 THR CA C 109 63.466 62.370 1.096 1
1 1348 . 11 1 1 A 109 109 THR CB C 109 69.636 69.656 -0.020 1
1 1350 . 11 1 1 A 109 109 THR N N 109 119.017 117.770 1.247 1
1 1351 . 11 1 1 A 110 110 ASN H H 110 8.527 9.337 -0.810 1
1 1352 . 11 1 1 A 110 110 ASN HA H 110 4.891 4.958 -0.067 1
1 1357 . 11 1 1 A 110 110 ASN C C 110 174.829 175.060 -0.231 1
1 1358 . 11 1 1 A 110 110 ASN CA C 110 53.104 52.456 0.648 1
1 1359 . 11 1 1 A 110 110 ASN CB C 110 39.813 38.963 0.850 1
1 1360 . 11 1 1 A 110 110 ASN N N 110 122.861 121.377 1.484 1
1 1362 . 11 1 1 A 111 111 THR H H 111 8.159 7.593 0.566 1
1 1363 . 11 1 1 A 111 111 THR HA H 111 4.407 4.871 -0.464 1
1 1368 . 11 1 1 A 111 111 THR C C 111 174.189 173.373 0.816 1
1 1369 . 11 1 1 A 111 111 THR CA C 111 61.900 61.077 0.823 1
1 1370 . 11 1 1 A 111 111 THR CB C 111 69.400 70.255 -0.855 1
1 1372 . 11 1 1 A 111 111 THR N N 111 114.879 111.124 3.755 1
1 1373 . 11 1 1 A 112 112 ASN H H 112 8.359 8.704 -0.345 1
1 1374 . 11 1 1 A 112 112 ASN N N 112 121.000 122.169 -1.169 1
1 1375 . 11 1 1 A 117 117 SER C C 117 174.242 172.314 1.928 1
1 1376 . 11 1 1 A 117 117 SER CA C 117 58.557 56.692 1.865 1
1 1377 . 11 1 1 A 117 117 SER CB C 117 63.729 66.079 -2.350 1
1 1378 . 11 1 1 A 118 118 GLN H H 118 8.304 8.625 -0.321 1
1 1379 . 11 1 1 A 118 118 GLN C C 118 174.889 175.569 -0.680 1
1 1380 . 11 1 1 A 118 118 GLN CA C 118 55.764 54.673 1.091 1
1 1381 . 11 1 1 A 118 118 GLN CB C 118 29.659 31.418 -1.759 1
1 1382 . 11 1 1 A 118 118 GLN N N 118 122.171 121.557 0.614 1
1 1 . 12 1 1 A 2 2 ALA HA H 2 4.298 4.502 -0.204 1
1 5 . 12 1 1 A 2 2 ALA CA C 2 53.448 50.813 2.635 1
1 6 . 12 1 1 A 2 2 ALA CB C 2 19.236 20.392 -1.156 1
1 7 . 12 1 1 A 3 3 MET H H 3 8.518 8.664 -0.146 1
1 12 . 12 1 1 A 3 3 MET N N 3 117.762 119.212 -1.450 1
1 13 . 12 1 1 A 4 4 ASP CA C 4 54.632 52.756 1.876 1
1 14 . 12 1 1 A 4 4 ASP CB C 4 41.102 40.203 0.899 1
1 15 . 12 1 1 A 5 5 ASN H H 5 8.332 8.157 0.175 1
1 18 . 12 1 1 A 5 5 ASN CA C 5 53.361 55.230 -1.869 1
1 19 . 12 1 1 A 5 5 ASN CB C 5 38.775 39.954 -1.179 1
1 20 . 12 1 1 A 5 5 ASN N N 5 118.200 116.235 1.965 1
1 22 . 12 1 1 A 6 6 VAL H H 6 7.939 7.626 0.313 1
1 23 . 12 1 1 A 6 6 VAL HA H 6 4.142 4.432 -0.290 1
1 31 . 12 1 1 A 6 6 VAL CA C 6 62.634 60.572 2.062 1
1 32 . 12 1 1 A 6 6 VAL CB C 6 32.598 34.046 -1.448 1
1 35 . 12 1 1 A 6 6 VAL N N 6 120.396 115.106 5.290 1
1 36 . 12 1 1 A 7 7 CYS H H 7 8.304 8.595 -0.291 1
1 37 . 12 1 1 A 7 7 CYS CA C 7 56.095 61.481 -5.386 1
1 38 . 12 1 1 A 7 7 CYS CB C 7 32.967 27.772 5.195 1
1 39 . 12 1 1 A 7 7 CYS N N 7 124.774 124.048 0.726 1
1 40 . 12 1 1 A 9 9 PRO HA H 9 4.547 4.750 -0.203 1
1 46 . 12 1 1 A 9 9 PRO C C 9 176.493 175.732 0.761 1
1 47 . 12 1 1 A 9 9 PRO CA C 9 63.142 62.370 0.772 1
1 48 . 12 1 1 A 9 9 PRO CB C 9 32.554 33.171 -0.617 1
1 51 . 12 1 1 A 10 10 THR H H 10 8.368 8.759 -0.391 1
1 52 . 12 1 1 A 10 10 THR HA H 10 4.418 4.470 -0.052 1
1 57 . 12 1 1 A 10 10 THR C C 10 172.743 173.574 -0.831 1
1 58 . 12 1 1 A 10 10 THR CA C 10 61.197 62.878 -1.681 1
1 59 . 12 1 1 A 10 10 THR CB C 10 69.660 71.389 -1.729 1
1 61 . 12 1 1 A 10 10 THR N N 10 112.513 113.775 -1.262 1
1 62 . 12 1 1 A 11 11 GLU H H 11 7.813 7.921 -0.108 1
1 63 . 12 1 1 A 11 11 GLU HA H 11 5.549 5.128 0.421 1
1 68 . 12 1 1 A 11 11 GLU C C 11 173.062 174.167 -1.105 1
1 69 . 12 1 1 A 11 11 GLU CA C 11 53.855 55.489 -1.634 1
1 70 . 12 1 1 A 11 11 GLU CB C 11 33.820 32.807 1.013 1
1 72 . 12 1 1 A 11 11 GLU N N 11 119.491 116.386 3.105 1
1 73 . 12 1 1 A 12 12 PHE H H 12 8.198 8.797 -0.599 1
1 74 . 12 1 1 A 12 12 PHE HA H 12 5.014 5.886 -0.872 1
1 82 . 12 1 1 A 12 12 PHE C C 12 171.976 173.457 -1.481 1
1 83 . 12 1 1 A 12 12 PHE CA C 12 55.597 55.306 0.291 1
1 84 . 12 1 1 A 12 12 PHE CB C 12 42.384 42.210 0.174 1
1 90 . 12 1 1 A 12 12 PHE N N 12 111.146 117.191 -6.045 1
1 91 . 12 1 1 A 13 13 ILE H H 13 8.655 8.668 -0.013 1
1 92 . 12 1 1 A 13 13 ILE HA H 13 4.165 4.471 -0.306 1
1 102 . 12 1 1 A 13 13 ILE C C 13 173.432 174.999 -1.567 1
1 103 . 12 1 1 A 13 13 ILE CA C 13 62.270 61.922 0.348 1
1 104 . 12 1 1 A 13 13 ILE CB C 13 39.957 36.906 3.051 1
1 108 . 12 1 1 A 13 13 ILE N N 13 121.427 124.625 -3.198 1
1 109 . 12 1 1 A 14 14 SER H H 14 8.034 8.997 -0.963 1
1 110 . 12 1 1 A 14 14 SER HA H 14 5.588 5.140 0.448 1
1 113 . 12 1 1 A 14 14 SER C C 14 173.429 173.566 -0.137 1
1 114 . 12 1 1 A 14 14 SER CA C 14 56.650 56.497 0.153 1
1 115 . 12 1 1 A 14 14 SER CB C 14 70.177 64.823 5.354 1
1 116 . 12 1 1 A 14 14 SER N N 14 121.358 123.582 -2.224 1
1 117 . 12 1 1 A 15 15 ARG H H 15 9.545 8.889 0.656 1
1 118 . 12 1 1 A 15 15 ARG HA H 15 5.826 4.779 1.047 1
1 126 . 12 1 1 A 15 15 ARG C C 15 176.042 175.541 0.501 1
1 127 . 12 1 1 A 15 15 ARG CA C 15 55.105 55.606 -0.501 1
1 128 . 12 1 1 A 15 15 ARG CB C 15 35.587 32.676 2.911 1
1 131 . 12 1 1 A 15 15 ARG N N 15 118.317 127.122 -8.805 1
1 133 . 12 1 1 A 16 16 HIS H H 16 8.730 8.233 0.497 1
1 134 . 12 1 1 A 16 16 HIS HA H 16 5.555 5.466 0.089 1
1 141 . 12 1 1 A 16 16 HIS C C 16 174.062 173.069 0.993 1
1 142 . 12 1 1 A 16 16 HIS CA C 16 54.057 54.643 -0.586 1
1 143 . 12 1 1 A 16 16 HIS CB C 16 31.334 31.234 0.100 1
1 146 . 12 1 1 A 16 16 HIS N N 16 117.425 116.832 0.593 1
1 148 . 12 1 1 A 17 17 ASN H H 17 8.201 8.741 -0.540 1
1 149 . 12 1 1 A 17 17 ASN HA H 17 4.897 5.183 -0.286 1
1 154 . 12 1 1 A 17 17 ASN C C 17 178.263 175.660 2.603 1
1 155 . 12 1 1 A 17 17 ASN CA C 17 51.104 51.667 -0.563 1
1 156 . 12 1 1 A 17 17 ASN CB C 17 38.469 39.068 -0.599 1
1 157 . 12 1 1 A 17 17 ASN N N 17 116.276 117.912 -1.636 1
1 159 . 12 1 1 A 18 18 ILE H H 18 8.774 8.809 -0.035 1
1 160 . 12 1 1 A 18 18 ILE HA H 18 3.795 3.914 -0.119 1
1 170 . 12 1 1 A 18 18 ILE C C 18 174.851 177.770 -2.919 1
1 171 . 12 1 1 A 18 18 ILE CA C 18 64.399 64.052 0.347 1
1 172 . 12 1 1 A 18 18 ILE CB C 18 38.072 37.881 0.191 1
1 176 . 12 1 1 A 18 18 ILE N N 18 120.001 120.212 -0.211 1
1 177 . 12 1 1 A 19 19 GLU H H 19 7.213 7.829 -0.616 1
1 178 . 12 1 1 A 19 19 GLU HA H 19 4.225 4.120 0.105 1
1 183 . 12 1 1 A 19 19 GLU CA C 19 57.145 56.818 0.327 1
1 184 . 12 1 1 A 19 19 GLU CB C 19 29.878 29.792 0.086 1
1 186 . 12 1 1 A 19 19 GLU N N 19 116.538 119.910 -3.372 1
1 187 . 12 1 1 A 20 20 GLY H H 20 7.845 7.814 0.031 1
1 188 . 12 1 1 A 20 20 GLY HA2 H 20 4.878 2.794 2.084 1
1 189 . 12 1 1 A 20 20 GLY HA3 H 20 2.886 3.655 -0.769 1
1 190 . 12 1 1 A 20 20 GLY C C 20 172.992 174.084 -1.092 1
1 191 . 12 1 1 A 20 20 GLY CA C 20 44.049 44.300 -0.251 1
1 192 . 12 1 1 A 20 20 GLY N N 20 104.883 106.160 -1.277 1
1 193 . 12 1 1 A 21 21 ILE H H 21 7.841 7.571 0.270 1
1 194 . 12 1 1 A 21 21 ILE HA H 21 3.995 3.863 0.132 1
1 204 . 12 1 1 A 21 21 ILE C C 21 176.915 175.381 1.534 1
1 205 . 12 1 1 A 21 21 ILE CA C 21 60.302 61.670 -1.368 1
1 206 . 12 1 1 A 21 21 ILE CB C 21 36.111 38.003 -1.892 1
1 210 . 12 1 1 A 21 21 ILE N N 21 120.855 122.762 -1.907 1
1 211 . 12 1 1 A 22 22 PHE H H 22 8.896 8.530 0.366 1
1 212 . 12 1 1 A 22 22 PHE HA H 22 5.052 5.005 0.047 1
1 220 . 12 1 1 A 22 22 PHE C C 22 177.971 176.253 1.718 1
1 221 . 12 1 1 A 22 22 PHE CA C 22 59.625 59.052 0.573 1
1 222 . 12 1 1 A 22 22 PHE CB C 22 39.984 39.157 0.827 1
1 228 . 12 1 1 A 22 22 PHE N N 22 125.849 128.466 -2.617 1
1 229 . 12 1 1 A 23 23 THR H H 23 9.771 8.941 0.830 1
1 230 . 12 1 1 A 23 23 THR HA H 23 4.403 4.506 -0.103 1
1 235 . 12 1 1 A 23 23 THR C C 23 175.589 174.574 1.015 1
1 236 . 12 1 1 A 23 23 THR CA C 23 61.611 62.264 -0.653 1
1 237 . 12 1 1 A 23 23 THR CB C 23 69.193 69.242 -0.049 1
1 239 . 12 1 1 A 23 23 THR N N 23 117.677 115.779 1.898 1
1 240 . 12 1 1 A 24 24 PHE H H 24 7.948 7.417 0.531 1
1 241 . 12 1 1 A 24 24 PHE HA H 24 4.483 4.792 -0.309 1
1 249 . 12 1 1 A 24 24 PHE C C 24 173.376 173.280 0.096 1
1 250 . 12 1 1 A 24 24 PHE CA C 24 59.142 58.249 0.893 1
1 251 . 12 1 1 A 24 24 PHE CB C 24 42.161 42.507 -0.346 1
1 257 . 12 1 1 A 24 24 PHE N N 24 123.378 121.218 2.160 1
1 258 . 12 1 1 A 25 25 VAL H H 25 7.340 7.477 -0.137 1
1 259 . 12 1 1 A 25 25 VAL HA H 25 4.166 4.517 -0.351 1
1 267 . 12 1 1 A 25 25 VAL C C 25 173.103 173.614 -0.511 1
1 268 . 12 1 1 A 25 25 VAL CA C 25 61.539 60.396 1.143 1
1 269 . 12 1 1 A 25 25 VAL CB C 25 35.683 34.936 0.747 1
1 272 . 12 1 1 A 25 25 VAL N N 25 124.777 123.850 0.927 1
1 273 . 12 1 1 A 26 26 ASP H H 26 7.942 8.418 -0.476 1
1 274 . 12 1 1 A 26 26 ASP HA H 26 4.466 4.515 -0.049 1
1 277 . 12 1 1 A 26 26 ASP C C 26 175.258 177.283 -2.025 1
1 278 . 12 1 1 A 26 26 ASP CA C 26 53.318 54.502 -1.184 1
1 279 . 12 1 1 A 26 26 ASP CB C 26 42.461 42.365 0.096 1
1 280 . 12 1 1 A 26 26 ASP N N 26 125.573 126.565 -0.992 1
1 281 . 12 1 1 A 27 27 HIS H H 27 8.115 8.905 -0.790 1
1 282 . 12 1 1 A 27 27 HIS HA H 27 4.222 4.108 0.114 1
1 286 . 12 1 1 A 27 27 HIS C C 27 177.268 176.488 0.780 1
1 287 . 12 1 1 A 27 27 HIS CA C 27 59.164 58.620 0.544 1
1 288 . 12 1 1 A 27 27 HIS CB C 27 30.374 29.251 1.123 1
1 290 . 12 1 1 A 27 27 HIS N N 27 117.576 123.529 -5.953 1
1 291 . 12 1 1 A 28 28 ARG H H 28 8.724 8.040 0.684 1
1 292 . 12 1 1 A 28 28 ARG HA H 28 4.210 3.668 0.542 1
1 300 . 12 1 1 A 28 28 ARG C C 28 177.838 179.058 -1.220 1
1 301 . 12 1 1 A 28 28 ARG CA C 28 58.199 59.273 -1.074 1
1 302 . 12 1 1 A 28 28 ARG CB C 28 29.815 29.448 0.367 1
1 305 . 12 1 1 A 28 28 ARG N N 28 122.414 120.546 1.868 1
1 307 . 12 1 1 A 29 29 CYS H H 29 8.102 8.172 -0.070 1
1 308 . 12 1 1 A 29 29 CYS HA H 29 3.124 3.141 -0.017 1
1 311 . 12 1 1 A 29 29 CYS C C 29 175.551 176.969 -1.418 1
1 312 . 12 1 1 A 29 29 CYS CA C 29 59.988 60.936 -0.948 1
1 313 . 12 1 1 A 29 29 CYS CB C 29 25.101 26.233 -1.132 1
1 314 . 12 1 1 A 29 29 CYS N N 29 119.987 117.438 2.549 1
1 315 . 12 1 1 A 30 30 VAL H H 30 7.139 7.086 0.053 1
1 316 . 12 1 1 A 30 30 VAL HA H 30 3.373 3.661 -0.288 1
1 324 . 12 1 1 A 30 30 VAL C C 30 178.225 178.011 0.214 1
1 325 . 12 1 1 A 30 30 VAL CA C 30 65.903 64.290 1.613 1
1 326 . 12 1 1 A 30 30 VAL CB C 30 31.446 31.540 -0.094 1
1 329 . 12 1 1 A 30 30 VAL N N 30 125.016 119.303 5.713 1
1 330 . 12 1 1 A 31 31 ALA H H 31 7.393 7.720 -0.327 1
1 331 . 12 1 1 A 31 31 ALA HA H 31 4.126 4.097 0.029 1
1 335 . 12 1 1 A 31 31 ALA C C 31 178.111 179.784 -1.673 1
1 336 . 12 1 1 A 31 31 ALA CA C 31 53.715 54.377 -0.662 1
1 337 . 12 1 1 A 31 31 ALA CB C 31 19.223 18.496 0.727 1
1 338 . 12 1 1 A 31 31 ALA N N 31 120.554 124.204 -3.650 1
1 339 . 12 1 1 A 32 32 THR H H 32 7.253 7.795 -0.542 1
1 340 . 12 1 1 A 32 32 THR HA H 32 4.116 4.060 0.056 1
1 345 . 12 1 1 A 32 32 THR C C 32 175.655 176.051 -0.396 1
1 346 . 12 1 1 A 32 32 THR CA C 32 64.727 65.498 -0.771 1
1 347 . 12 1 1 A 32 32 THR CB C 32 69.144 69.361 -0.217 1
1 349 . 12 1 1 A 32 32 THR N N 32 109.150 113.609 -4.459 1
1 350 . 12 1 1 A 33 33 VAL H H 33 7.939 7.709 0.230 1
1 351 . 12 1 1 A 33 33 VAL HA H 33 4.504 4.647 -0.143 1
1 359 . 12 1 1 A 33 33 VAL C C 33 175.594 176.232 -0.638 1
1 360 . 12 1 1 A 33 33 VAL CA C 33 60.596 60.505 0.091 1
1 361 . 12 1 1 A 33 33 VAL CB C 33 34.900 31.463 3.437 1
1 364 . 12 1 1 A 33 33 VAL N N 33 108.519 113.167 -4.648 1
1 365 . 12 1 1 A 34 34 GLY H H 34 7.439 7.785 -0.346 1
1 366 . 12 1 1 A 34 34 GLY HA2 H 34 4.099 3.694 0.405 1
1 367 . 12 1 1 A 34 34 GLY HA3 H 34 3.846 3.792 0.054 1
1 368 . 12 1 1 A 34 34 GLY C C 34 173.655 173.483 0.172 1
1 369 . 12 1 1 A 34 34 GLY CA C 34 46.538 45.456 1.082 1
1 370 . 12 1 1 A 34 34 GLY N N 34 109.672 110.093 -0.421 1
1 371 . 12 1 1 A 35 35 TYR H H 35 6.215 7.483 -1.268 1
1 372 . 12 1 1 A 35 35 TYR HA H 35 4.415 4.415 0.000 1
1 379 . 12 1 1 A 35 35 TYR C C 35 174.492 175.169 -0.677 1
1 380 . 12 1 1 A 35 35 TYR CA C 35 57.289 59.018 -1.729 1
1 381 . 12 1 1 A 35 35 TYR CB C 35 40.784 38.165 2.619 1
1 386 . 12 1 1 A 35 35 TYR N N 35 117.067 119.997 -2.930 1
1 387 . 12 1 1 A 36 36 GLN H H 36 9.145 8.571 0.574 1
1 388 . 12 1 1 A 36 36 GLN HA H 36 4.285 4.233 0.052 1
1 393 . 12 1 1 A 36 36 GLN CA C 36 53.760 54.657 -0.897 1
1 394 . 12 1 1 A 36 36 GLN CB C 36 27.558 28.439 -0.881 1
1 396 . 12 1 1 A 36 36 GLN N N 36 117.664 123.964 -6.300 1
1 397 . 12 1 1 A 37 37 PRO HA H 37 3.755 4.037 -0.282 1
1 404 . 12 1 1 A 37 37 PRO C C 37 178.629 178.141 0.488 1
1 405 . 12 1 1 A 37 37 PRO CA C 37 66.415 65.734 0.681 1
1 406 . 12 1 1 A 37 37 PRO CB C 37 31.313 31.660 -0.347 1
1 409 . 12 1 1 A 38 38 GLN H H 38 8.870 8.803 0.067 1
1 410 . 12 1 1 A 38 38 GLN HA H 38 3.996 4.063 -0.067 1
1 415 . 12 1 1 A 38 38 GLN C C 38 177.121 177.750 -0.629 1
1 416 . 12 1 1 A 38 38 GLN CA C 38 58.468 58.933 -0.465 1
1 417 . 12 1 1 A 38 38 GLN CB C 38 27.259 27.726 -0.467 1
1 419 . 12 1 1 A 38 38 GLN N N 38 113.031 115.361 -2.330 1
1 420 . 12 1 1 A 39 39 GLU H H 39 7.799 7.919 -0.120 1
1 421 . 12 1 1 A 39 39 GLU HA H 39 4.203 4.246 -0.043 1
1 426 . 12 1 1 A 39 39 GLU C C 39 175.485 177.469 -1.984 1
1 427 . 12 1 1 A 39 39 GLU CA C 39 57.598 58.559 -0.961 1
1 428 . 12 1 1 A 39 39 GLU CB C 39 30.955 29.659 1.296 1
1 430 . 12 1 1 A 39 39 GLU N N 39 117.366 119.621 -2.255 1
1 431 . 12 1 1 A 40 40 LEU H H 40 7.001 7.321 -0.320 1
1 432 . 12 1 1 A 40 40 LEU HA H 40 4.205 4.529 -0.324 1
1 442 . 12 1 1 A 40 40 LEU C C 40 176.417 177.383 -0.966 1
1 443 . 12 1 1 A 40 40 LEU CA C 40 55.345 55.736 -0.391 1
1 444 . 12 1 1 A 40 40 LEU CB C 40 43.190 43.600 -0.410 1
1 448 . 12 1 1 A 40 40 LEU N N 40 116.615 118.327 -1.712 1
1 449 . 12 1 1 A 41 41 LEU H H 41 7.521 7.917 -0.396 1
1 450 . 12 1 1 A 41 41 LEU HA H 41 3.678 4.286 -0.608 1
1 460 . 12 1 1 A 41 41 LEU C C 41 177.754 177.957 -0.203 1
1 461 . 12 1 1 A 41 41 LEU CA C 41 57.050 57.310 -0.260 1
1 462 . 12 1 1 A 41 41 LEU CB C 41 42.155 41.646 0.509 1
1 466 . 12 1 1 A 41 41 LEU N N 41 117.814 121.178 -3.364 1
1 467 . 12 1 1 A 42 42 GLY H H 42 8.535 9.293 -0.758 1
1 468 . 12 1 1 A 42 42 GLY HA2 H 42 4.328 4.015 0.313 1
1 469 . 12 1 1 A 42 42 GLY HA3 H 42 3.601 4.015 -0.414 1
1 470 . 12 1 1 A 42 42 GLY C C 42 173.808 173.747 0.061 1
1 471 . 12 1 1 A 42 42 GLY CA C 42 45.689 45.336 0.353 1
1 472 . 12 1 1 A 42 42 GLY N N 42 110.496 111.947 -1.451 1
1 473 . 12 1 1 A 43 43 LYS H H 43 8.398 8.149 0.249 1
1 474 . 12 1 1 A 43 43 LYS HA H 43 4.680 4.587 0.093 1
1 483 . 12 1 1 A 43 43 LYS C C 43 173.943 175.527 -1.584 1
1 484 . 12 1 1 A 43 43 LYS CA C 43 54.361 54.674 -0.313 1
1 485 . 12 1 1 A 43 43 LYS CB C 43 33.960 34.184 -0.224 1
1 489 . 12 1 1 A 43 43 LYS N N 43 120.461 120.781 -0.320 1
1 490 . 12 1 1 A 44 44 ASN H H 44 8.892 8.234 0.658 1
1 491 . 12 1 1 A 44 44 ASN HA H 44 4.690 4.616 0.074 1
1 496 . 12 1 1 A 44 44 ASN C C 44 176.922 175.785 1.137 1
1 497 . 12 1 1 A 44 44 ASN CA C 44 52.256 53.267 -1.011 1
1 498 . 12 1 1 A 44 44 ASN CB C 44 40.451 39.557 0.894 1
1 499 . 12 1 1 A 44 44 ASN N N 44 119.869 121.905 -2.036 1
1 501 . 12 1 1 A 45 45 ILE H H 45 8.543 8.224 0.319 1
1 502 . 12 1 1 A 45 45 ILE HA H 45 3.887 3.656 0.231 1
1 511 . 12 1 1 A 45 45 ILE C C 45 176.137 177.037 -0.900 1
1 512 . 12 1 1 A 45 45 ILE CA C 45 65.116 64.130 0.986 1
1 513 . 12 1 1 A 45 45 ILE CB C 45 36.637 37.396 -0.759 1
1 517 . 12 1 1 A 45 45 ILE N N 45 129.131 127.322 1.809 1
1 518 . 12 1 1 A 46 46 VAL H H 46 9.059 7.343 1.716 1
1 519 . 12 1 1 A 46 46 VAL HA H 46 3.439 3.760 -0.321 1
1 527 . 12 1 1 A 46 46 VAL C C 46 178.407 178.156 0.251 1
1 528 . 12 1 1 A 46 46 VAL CA C 46 65.705 65.383 0.322 1
1 529 . 12 1 1 A 46 46 VAL CB C 46 31.022 31.179 -0.157 1
1 532 . 12 1 1 A 46 46 VAL N N 46 118.981 117.500 1.481 1
1 533 . 12 1 1 A 47 47 GLU H H 47 7.923 8.382 -0.459 1
1 534 . 12 1 1 A 47 47 GLU HA H 47 3.989 3.916 0.073 1
1 539 . 12 1 1 A 47 47 GLU C C 47 177.664 178.489 -0.825 1
1 540 . 12 1 1 A 47 47 GLU CA C 47 57.999 59.031 -1.032 1
1 541 . 12 1 1 A 47 47 GLU CB C 47 28.849 28.958 -0.109 1
1 543 . 12 1 1 A 47 47 GLU N N 47 117.733 121.461 -3.728 1
1 544 . 12 1 1 A 48 48 PHE H H 48 7.689 7.415 0.274 1
1 545 . 12 1 1 A 48 48 PHE HA H 48 4.177 4.220 -0.043 1
1 553 . 12 1 1 A 48 48 PHE C C 48 172.739 175.835 -3.096 1
1 554 . 12 1 1 A 48 48 PHE CA C 48 57.725 59.565 -1.840 1
1 555 . 12 1 1 A 48 48 PHE CB C 48 39.428 39.422 0.006 1
1 561 . 12 1 1 A 48 48 PHE N N 48 117.768 115.144 2.624 1
1 562 . 12 1 1 A 49 49 CYS H H 49 7.413 7.361 0.052 1
1 563 . 12 1 1 A 49 49 CYS HA H 49 5.671 4.957 0.714 1
1 566 . 12 1 1 A 49 49 CYS CA C 49 56.429 60.045 -3.616 1
1 567 . 12 1 1 A 49 49 CYS CB C 49 28.747 28.145 0.602 1
1 568 . 12 1 1 A 49 49 CYS N N 49 119.705 118.170 1.535 1
1 569 . 12 1 1 A 50 50 HIS H H 50 8.640 8.627 0.013 1
1 570 . 12 1 1 A 50 50 HIS HA H 50 3.655 4.109 -0.454 1
1 574 . 12 1 1 A 50 50 HIS CA C 50 56.934 54.853 2.081 1
1 575 . 12 1 1 A 50 50 HIS CB C 50 32.071 30.240 1.831 1
1 577 . 12 1 1 A 50 50 HIS N N 50 134.180 124.856 9.324 1
1 578 . 12 1 1 A 51 51 PRO HA H 51 4.044 4.161 -0.117 1
1 584 . 12 1 1 A 51 51 PRO C C 51 179.121 178.879 0.242 1
1 585 . 12 1 1 A 51 51 PRO CA C 51 65.989 66.068 -0.079 1
1 586 . 12 1 1 A 51 51 PRO CB C 51 32.605 31.687 0.918 1
1 589 . 12 1 1 A 52 52 GLU H H 52 10.986 8.673 2.313 1
1 590 . 12 1 1 A 52 52 GLU HA H 52 4.125 4.120 0.005 1
1 595 . 12 1 1 A 52 52 GLU C C 52 177.643 177.296 0.347 1
1 596 . 12 1 1 A 52 52 GLU CA C 52 58.522 58.946 -0.424 1
1 597 . 12 1 1 A 52 52 GLU CB C 52 29.347 28.775 0.572 1
1 599 . 12 1 1 A 52 52 GLU N N 52 119.351 117.728 1.623 1
1 600 . 12 1 1 A 53 53 ASP H H 53 8.203 8.121 0.082 1
1 601 . 12 1 1 A 53 53 ASP HA H 53 4.898 4.687 0.211 1
1 604 . 12 1 1 A 53 53 ASP C C 53 175.641 177.172 -1.531 1
1 605 . 12 1 1 A 53 53 ASP CA C 53 54.092 54.517 -0.425 1
1 606 . 12 1 1 A 53 53 ASP CB C 53 43.596 41.870 1.726 1
1 607 . 12 1 1 A 53 53 ASP N N 53 117.757 117.407 0.350 1
1 608 . 12 1 1 A 54 54 GLN H H 54 6.922 7.876 -0.954 1
1 609 . 12 1 1 A 54 54 GLN HA H 54 3.985 3.930 0.055 1
1 616 . 12 1 1 A 54 54 GLN C C 54 177.417 178.419 -1.002 1
1 617 . 12 1 1 A 54 54 GLN CA C 54 60.084 58.865 1.219 1
1 618 . 12 1 1 A 54 54 GLN CB C 54 28.448 28.353 0.095 1
1 620 . 12 1 1 A 54 54 GLN N N 54 118.680 119.540 -0.860 1
1 622 . 12 1 1 A 55 55 GLN H H 55 8.663 7.928 0.735 1
1 623 . 12 1 1 A 55 55 GLN HA H 55 3.778 4.057 -0.279 1
1 630 . 12 1 1 A 55 55 GLN C C 55 177.398 178.143 -0.745 1
1 631 . 12 1 1 A 55 55 GLN CA C 55 58.812 58.523 0.289 1
1 632 . 12 1 1 A 55 55 GLN CB C 55 27.402 28.921 -1.519 1
1 634 . 12 1 1 A 55 55 GLN N N 55 119.173 119.656 -0.483 1
1 636 . 12 1 1 A 56 56 LEU H H 56 7.935 7.601 0.334 1
1 637 . 12 1 1 A 56 56 LEU HA H 56 4.071 4.067 0.004 1
1 647 . 12 1 1 A 56 56 LEU C C 56 180.037 178.014 2.023 1
1 648 . 12 1 1 A 56 56 LEU CA C 56 57.698 57.448 0.250 1
1 649 . 12 1 1 A 56 56 LEU CB C 56 41.586 42.082 -0.496 1
1 653 . 12 1 1 A 56 56 LEU N N 56 119.661 120.615 -0.954 1
1 654 . 12 1 1 A 57 57 LEU H H 57 7.382 7.949 -0.567 1
1 655 . 12 1 1 A 57 57 LEU HA H 57 3.575 3.625 -0.050 1
1 665 . 12 1 1 A 57 57 LEU C C 57 178.470 178.203 0.267 1
1 666 . 12 1 1 A 57 57 LEU CA C 57 57.703 58.053 -0.350 1
1 667 . 12 1 1 A 57 57 LEU CB C 57 42.077 41.530 0.547 1
1 671 . 12 1 1 A 57 57 LEU N N 57 119.857 119.930 -0.073 1
1 672 . 12 1 1 A 58 58 ARG H H 58 8.118 8.652 -0.534 1
1 673 . 12 1 1 A 58 58 ARG HA H 58 3.338 3.850 -0.512 1
1 680 . 12 1 1 A 58 58 ARG C C 58 179.713 178.622 1.091 1
1 681 . 12 1 1 A 58 58 ARG CA C 58 60.120 59.910 0.210 1
1 682 . 12 1 1 A 58 58 ARG CB C 58 30.320 29.859 0.461 1
1 685 . 12 1 1 A 58 58 ARG N N 58 118.198 117.955 0.243 1
1 686 . 12 1 1 A 59 59 ASP H H 59 8.748 8.059 0.689 1
1 687 . 12 1 1 A 59 59 ASP HA H 59 4.336 4.277 0.059 1
1 690 . 12 1 1 A 59 59 ASP C C 59 179.130 178.000 1.130 1
1 691 . 12 1 1 A 59 59 ASP CA C 59 57.197 57.563 -0.366 1
1 692 . 12 1 1 A 59 59 ASP CB C 59 40.212 41.720 -1.508 1
1 693 . 12 1 1 A 59 59 ASP N N 59 119.165 120.049 -0.884 1
1 694 . 12 1 1 A 60 60 SER H H 60 7.552 8.216 -0.664 1
1 695 . 12 1 1 A 60 60 SER HA H 60 4.116 4.160 -0.044 1
1 698 . 12 1 1 A 60 60 SER C C 60 175.883 177.265 -1.382 1
1 699 . 12 1 1 A 60 60 SER CA C 60 61.975 61.278 0.697 1
1 700 . 12 1 1 A 60 60 SER CB C 60 63.098 61.731 1.367 1
1 701 . 12 1 1 A 60 60 SER N N 60 117.761 115.125 2.636 1
1 702 . 12 1 1 A 61 61 PHE H H 61 7.063 7.499 -0.436 1
1 703 . 12 1 1 A 61 61 PHE HA H 61 4.614 4.393 0.221 1
1 711 . 12 1 1 A 61 61 PHE C C 61 177.561 178.392 -0.831 1
1 712 . 12 1 1 A 61 61 PHE CA C 61 56.777 62.044 -5.267 1
1 713 . 12 1 1 A 61 61 PHE CB C 61 36.564 38.343 -1.779 1
1 719 . 12 1 1 A 61 61 PHE N N 61 122.009 119.085 2.924 1
1 720 . 12 1 1 A 62 62 GLN H H 62 7.376 8.374 -0.998 1
1 721 . 12 1 1 A 62 62 GLN HA H 62 4.038 4.027 0.011 1
1 726 . 12 1 1 A 62 62 GLN C C 62 179.093 178.731 0.362 1
1 727 . 12 1 1 A 62 62 GLN CA C 62 58.240 59.248 -1.008 1
1 728 . 12 1 1 A 62 62 GLN CB C 62 28.094 28.314 -0.220 1
1 730 . 12 1 1 A 62 62 GLN N N 62 114.929 118.671 -3.742 1
1 731 . 12 1 1 A 63 63 GLN H H 63 7.893 7.820 0.073 1
1 732 . 12 1 1 A 63 63 GLN HA H 63 4.083 4.193 -0.110 1
1 737 . 12 1 1 A 63 63 GLN C C 63 178.244 178.521 -0.277 1
1 738 . 12 1 1 A 63 63 GLN CA C 63 58.408 58.288 0.120 1
1 739 . 12 1 1 A 63 63 GLN CB C 63 28.755 28.661 0.094 1
1 741 . 12 1 1 A 63 63 GLN N N 63 117.434 119.944 -2.510 1
1 742 . 12 1 1 A 64 64 VAL H H 64 8.220 8.137 0.083 1
1 743 . 12 1 1 A 64 64 VAL HA H 64 3.663 4.137 -0.474 1
1 751 . 12 1 1 A 64 64 VAL C C 64 177.137 178.085 -0.948 1
1 752 . 12 1 1 A 64 64 VAL CA C 64 66.107 65.587 0.520 1
1 753 . 12 1 1 A 64 64 VAL CB C 64 31.475 31.552 -0.077 1
1 756 . 12 1 1 A 64 64 VAL N N 64 118.766 117.368 1.398 1
1 757 . 12 1 1 A 65 65 VAL H H 65 6.860 7.576 -0.716 1
1 758 . 12 1 1 A 65 65 VAL HA H 65 3.833 3.900 -0.067 1
1 766 . 12 1 1 A 65 65 VAL C C 65 177.624 177.978 -0.354 1
1 767 . 12 1 1 A 65 65 VAL CA C 65 64.200 64.776 -0.576 1
1 768 . 12 1 1 A 65 65 VAL CB C 65 31.730 31.808 -0.078 1
1 771 . 12 1 1 A 65 65 VAL N N 65 112.590 122.398 -9.808 1
1 772 . 12 1 1 A 66 66 LYS H H 66 7.431 7.885 -0.454 1
1 773 . 12 1 1 A 66 66 LYS HA H 66 4.184 3.975 0.209 1
1 782 . 12 1 1 A 66 66 LYS C C 66 177.374 178.303 -0.929 1
1 783 . 12 1 1 A 66 66 LYS CA C 66 58.190 59.716 -1.526 1
1 784 . 12 1 1 A 66 66 LYS CB C 66 33.232 32.412 0.820 1
1 788 . 12 1 1 A 66 66 LYS N N 66 119.643 121.914 -2.271 1
1 789 . 12 1 1 A 67 67 LEU H H 67 7.859 8.107 -0.248 1
1 790 . 12 1 1 A 67 67 LEU HA H 67 4.552 4.313 0.239 1
1 800 . 12 1 1 A 67 67 LEU C C 67 175.532 175.882 -0.350 1
1 801 . 12 1 1 A 67 67 LEU CA C 67 53.108 55.284 -2.176 1
1 802 . 12 1 1 A 67 67 LEU CB C 67 40.979 41.760 -0.781 1
1 806 . 12 1 1 A 67 67 LEU N N 67 121.288 118.102 3.186 1
1 807 . 12 1 1 A 68 68 LYS H H 68 7.475 8.105 -0.630 1
1 808 . 12 1 1 A 68 68 LYS HA H 68 4.156 3.986 0.170 1
1 817 . 12 1 1 A 68 68 LYS C C 68 177.987 176.593 1.394 1
1 818 . 12 1 1 A 68 68 LYS CA C 68 58.388 57.440 0.948 1
1 819 . 12 1 1 A 68 68 LYS CB C 68 32.207 30.957 1.250 1
1 823 . 12 1 1 A 68 68 LYS N N 68 119.626 116.801 2.825 1
1 824 . 12 1 1 A 69 69 GLY H H 69 8.696 8.273 0.423 1
1 825 . 12 1 1 A 69 69 GLY HA2 H 69 4.294 4.057 0.237 1
1 826 . 12 1 1 A 69 69 GLY HA3 H 69 3.896 4.060 -0.164 1
1 827 . 12 1 1 A 69 69 GLY CA C 69 45.335 45.246 0.089 1
1 828 . 12 1 1 A 69 69 GLY N N 69 113.681 104.835 8.846 1
1 829 . 12 1 1 A 70 70 GLN H H 70 8.031 7.934 0.097 1
1 830 . 12 1 1 A 70 70 GLN HA H 70 4.508 4.276 0.232 1
1 835 . 12 1 1 A 70 70 GLN C C 70 174.684 175.109 -0.425 1
1 836 . 12 1 1 A 70 70 GLN CA C 70 55.347 56.520 -1.173 1
1 837 . 12 1 1 A 70 70 GLN CB C 70 30.111 29.390 0.721 1
1 839 . 12 1 1 A 70 70 GLN N N 70 119.949 121.827 -1.878 1
1 840 . 12 1 1 A 71 71 VAL H H 71 8.232 8.401 -0.169 1
1 841 . 12 1 1 A 71 71 VAL HA H 71 4.822 4.602 0.220 1
1 849 . 12 1 1 A 71 71 VAL C C 71 176.406 174.773 1.633 1
1 850 . 12 1 1 A 71 71 VAL CA C 71 61.198 62.431 -1.233 1
1 851 . 12 1 1 A 71 71 VAL CB C 71 32.964 32.783 0.181 1
1 854 . 12 1 1 A 71 71 VAL N N 71 121.816 126.831 -5.015 1
1 855 . 12 1 1 A 72 72 LEU H H 72 9.052 9.267 -0.215 1
1 856 . 12 1 1 A 72 72 LEU HA H 72 4.827 5.271 -0.444 1
1 865 . 12 1 1 A 72 72 LEU C C 72 175.411 175.662 -0.251 1
1 866 . 12 1 1 A 72 72 LEU CA C 72 52.895 53.401 -0.506 1
1 867 . 12 1 1 A 72 72 LEU CB C 72 44.755 45.203 -0.448 1
1 870 . 12 1 1 A 72 72 LEU N N 72 130.331 128.999 1.332 1
1 871 . 12 1 1 A 73 73 SER H H 73 8.057 8.998 -0.941 1
1 872 . 12 1 1 A 73 73 SER HA H 73 5.211 5.773 -0.562 1
1 875 . 12 1 1 A 73 73 SER C C 73 174.562 173.021 1.541 1
1 876 . 12 1 1 A 73 73 SER CA C 73 56.591 56.736 -0.145 1
1 877 . 12 1 1 A 73 73 SER CB C 73 66.336 65.030 1.306 1
1 878 . 12 1 1 A 73 73 SER N N 73 113.040 118.752 -5.712 1
1 879 . 12 1 1 A 74 74 VAL H H 74 8.799 8.660 0.139 1
1 880 . 12 1 1 A 74 74 VAL HA H 74 4.705 4.966 -0.261 1
1 888 . 12 1 1 A 74 74 VAL C C 74 174.122 174.016 0.106 1
1 889 . 12 1 1 A 74 74 VAL CA C 74 59.403 59.531 -0.128 1
1 890 . 12 1 1 A 74 74 VAL CB C 74 35.474 35.793 -0.319 1
1 893 . 12 1 1 A 74 74 VAL N N 74 122.721 122.155 0.566 1
1 894 . 12 1 1 A 75 75 MET H H 75 8.195 8.794 -0.599 1
1 895 . 12 1 1 A 75 75 MET HA H 75 5.922 6.037 -0.115 1
1 903 . 12 1 1 A 75 75 MET C C 75 175.531 175.681 -0.150 1
1 904 . 12 1 1 A 75 75 MET CA C 75 54.021 53.997 0.024 1
1 905 . 12 1 1 A 75 75 MET CB C 75 34.750 34.023 0.727 1
1 908 . 12 1 1 A 75 75 MET N N 75 120.057 123.700 -3.643 1
1 909 . 12 1 1 A 76 76 PHE H H 76 9.394 9.067 0.327 1
1 910 . 12 1 1 A 76 76 PHE HA H 76 5.004 5.513 -0.509 1
1 918 . 12 1 1 A 76 76 PHE C C 76 171.623 172.322 -0.699 1
1 919 . 12 1 1 A 76 76 PHE CA C 76 55.802 55.457 0.345 1
1 920 . 12 1 1 A 76 76 PHE CB C 76 42.072 42.089 -0.017 1
1 926 . 12 1 1 A 76 76 PHE N N 76 120.244 120.188 0.056 1
1 927 . 12 1 1 A 77 77 ARG H H 77 8.783 8.327 0.456 1
1 928 . 12 1 1 A 77 77 ARG HA H 77 4.420 4.210 0.210 1
1 936 . 12 1 1 A 77 77 ARG C C 77 173.455 174.515 -1.060 1
1 937 . 12 1 1 A 77 77 ARG CA C 77 54.218 55.072 -0.854 1
1 938 . 12 1 1 A 77 77 ARG CB C 77 32.439 30.212 2.227 1
1 941 . 12 1 1 A 77 77 ARG N N 77 121.379 118.918 2.461 1
1 943 . 12 1 1 A 78 78 PHE H H 78 9.258 9.176 0.082 1
1 944 . 12 1 1 A 78 78 PHE HA H 78 5.438 5.137 0.301 1
1 952 . 12 1 1 A 78 78 PHE C C 78 175.873 174.506 1.367 1
1 953 . 12 1 1 A 78 78 PHE CA C 78 55.173 56.826 -1.653 1
1 954 . 12 1 1 A 78 78 PHE CB C 78 44.530 39.730 4.800 1
1 960 . 12 1 1 A 78 78 PHE N N 78 128.097 126.323 1.774 1
1 961 . 12 1 1 A 79 79 ARG H H 79 9.242 8.859 0.383 1
1 962 . 12 1 1 A 79 79 ARG HA H 79 4.201 4.653 -0.452 1
1 969 . 12 1 1 A 79 79 ARG C C 79 175.316 176.347 -1.031 1
1 970 . 12 1 1 A 79 79 ARG CA C 79 55.255 56.586 -1.331 1
1 971 . 12 1 1 A 79 79 ARG CB C 79 29.358 30.424 -1.066 1
1 974 . 12 1 1 A 79 79 ARG N N 79 129.898 130.457 -0.559 1
1 975 . 12 1 1 A 80 80 SER H H 80 9.253 8.758 0.495 1
1 976 . 12 1 1 A 80 80 SER HA H 80 4.772 5.089 -0.317 1
1 979 . 12 1 1 A 80 80 SER C C 80 174.983 175.809 -0.826 1
1 980 . 12 1 1 A 80 80 SER CA C 80 58.191 58.105 0.086 1
1 981 . 12 1 1 A 80 80 SER CB C 80 64.930 64.666 0.264 1
1 982 . 12 1 1 A 80 80 SER N N 80 128.002 124.066 3.936 1
1 983 . 12 1 1 A 81 81 LYS H H 81 8.065 8.863 -0.798 1
1 984 . 12 1 1 A 81 81 LYS HA H 81 3.675 3.545 0.130 1
1 993 . 12 1 1 A 81 81 LYS C C 81 177.417 177.537 -0.120 1
1 994 . 12 1 1 A 81 81 LYS CA C 81 59.236 58.703 0.533 1
1 995 . 12 1 1 A 81 81 LYS CB C 81 31.641 31.956 -0.315 1
1 999 . 12 1 1 A 81 81 LYS N N 81 123.505 123.701 -0.196 1
1 1000 . 12 1 1 A 82 82 ASN H H 82 7.934 7.837 0.097 1
1 1001 . 12 1 1 A 82 82 ASN HA H 82 4.679 4.760 -0.081 1
1 1006 . 12 1 1 A 82 82 ASN C C 82 173.949 174.211 -0.262 1
1 1007 . 12 1 1 A 82 82 ASN CA C 82 52.764 52.750 0.014 1
1 1008 . 12 1 1 A 82 82 ASN CB C 82 37.428 38.521 -1.093 1
1 1009 . 12 1 1 A 82 82 ASN N N 82 115.202 114.357 0.845 1
1 1011 . 12 1 1 A 83 83 GLN H H 83 8.099 8.181 -0.082 1
1 1012 . 12 1 1 A 83 83 GLN HA H 83 3.382 3.756 -0.374 1
1 1019 . 12 1 1 A 83 83 GLN C C 83 174.208 173.999 0.209 1
1 1020 . 12 1 1 A 83 83 GLN CA C 83 56.400 56.850 -0.450 1
1 1021 . 12 1 1 A 83 83 GLN CB C 83 25.003 26.032 -1.029 1
1 1023 . 12 1 1 A 83 83 GLN N N 83 112.357 115.797 -3.440 1
1 1025 . 12 1 1 A 84 84 GLU H H 84 7.385 7.573 -0.188 1
1 1026 . 12 1 1 A 84 84 GLU HA H 84 4.322 4.696 -0.374 1
1 1031 . 12 1 1 A 84 84 GLU CA C 84 54.720 54.698 0.022 1
1 1032 . 12 1 1 A 84 84 GLU CB C 84 31.713 32.765 -1.052 1
1 1034 . 12 1 1 A 84 84 GLU N N 84 117.557 116.575 0.982 1
1 1035 . 12 1 1 A 85 85 TRP H H 85 8.645 8.685 -0.040 1
1 1036 . 12 1 1 A 85 85 TRP HA H 85 5.145 4.807 0.338 1
1 1045 . 12 1 1 A 85 85 TRP C C 85 175.772 175.689 0.083 1
1 1046 . 12 1 1 A 85 85 TRP CA C 85 55.591 57.091 -1.500 1
1 1047 . 12 1 1 A 85 85 TRP CB C 85 30.113 28.031 2.082 1
1 1053 . 12 1 1 A 85 85 TRP N N 85 121.388 123.263 -1.875 1
1 1055 . 12 1 1 A 86 86 LEU H H 86 9.348 8.746 0.602 1
1 1056 . 12 1 1 A 86 86 LEU HA H 86 4.847 4.748 0.099 1
1 1066 . 12 1 1 A 86 86 LEU C C 86 176.991 176.637 0.354 1
1 1067 . 12 1 1 A 86 86 LEU CA C 86 53.102 54.624 -1.522 1
1 1068 . 12 1 1 A 86 86 LEU CB C 86 44.527 41.578 2.949 1
1 1071 . 12 1 1 A 86 86 LEU N N 86 126.537 125.854 0.683 1
1 1072 . 12 1 1 A 87 87 TRP H H 87 8.870 8.969 -0.099 1
1 1073 . 12 1 1 A 87 87 TRP HA H 87 4.465 4.898 -0.433 1
1 1082 . 12 1 1 A 87 87 TRP C C 87 175.731 176.948 -1.217 1
1 1083 . 12 1 1 A 87 87 TRP CA C 87 59.207 58.054 1.153 1
1 1084 . 12 1 1 A 87 87 TRP CB C 87 29.736 30.422 -0.686 1
1 1090 . 12 1 1 A 87 87 TRP N N 87 123.902 126.869 -2.967 1
1 1092 . 12 1 1 A 88 88 MET H H 88 9.432 9.006 0.426 1
1 1093 . 12 1 1 A 88 88 MET HA H 88 5.267 5.579 -0.312 1
1 1101 . 12 1 1 A 88 88 MET C C 88 174.713 174.378 0.335 1
1 1102 . 12 1 1 A 88 88 MET CA C 88 52.557 54.321 -1.764 1
1 1103 . 12 1 1 A 88 88 MET CB C 88 36.139 37.379 -1.240 1
1 1106 . 12 1 1 A 88 88 MET N N 88 123.412 121.339 2.073 1
1 1107 . 12 1 1 A 89 89 ARG H H 89 9.282 8.992 0.290 1
1 1108 . 12 1 1 A 89 89 ARG HA H 89 5.702 5.178 0.524 1
1 1115 . 12 1 1 A 89 89 ARG C C 89 177.137 175.715 1.422 1
1 1116 . 12 1 1 A 89 89 ARG CA C 89 54.266 54.686 -0.420 1
1 1117 . 12 1 1 A 89 89 ARG CB C 89 34.404 32.196 2.208 1
1 1120 . 12 1 1 A 89 89 ARG N N 89 119.570 121.428 -1.858 1
1 1121 . 12 1 1 A 90 90 THR H H 90 9.298 9.087 0.211 1
1 1122 . 12 1 1 A 90 90 THR HA H 90 5.625 5.271 0.354 1
1 1127 . 12 1 1 A 90 90 THR C C 90 176.787 174.443 2.344 1
1 1128 . 12 1 1 A 90 90 THR CA C 90 60.327 60.483 -0.156 1
1 1129 . 12 1 1 A 90 90 THR CB C 90 72.187 70.388 1.799 1
1 1131 . 12 1 1 A 90 90 THR N N 90 115.133 117.635 -2.502 1
1 1132 . 12 1 1 A 91 91 SER H H 91 8.194 8.771 -0.577 1
1 1133 . 12 1 1 A 91 91 SER HA H 91 4.860 5.156 -0.296 1
1 1136 . 12 1 1 A 91 91 SER C C 91 175.171 173.229 1.942 1
1 1137 . 12 1 1 A 91 91 SER CA C 91 59.224 57.255 1.969 1
1 1138 . 12 1 1 A 91 91 SER CB C 91 64.094 63.468 0.626 1
1 1139 . 12 1 1 A 91 91 SER N N 91 114.043 121.232 -7.189 1
1 1140 . 12 1 1 A 92 92 SER H H 92 9.864 8.088 1.776 1
1 1141 . 12 1 1 A 92 92 SER HA H 92 6.204 5.071 1.133 1
1 1144 . 12 1 1 A 92 92 SER C C 92 171.748 174.036 -2.288 1
1 1145 . 12 1 1 A 92 92 SER CA C 92 58.818 59.433 -0.615 1
1 1146 . 12 1 1 A 92 92 SER CB C 92 66.419 64.085 2.334 1
1 1147 . 12 1 1 A 92 92 SER N N 92 125.442 121.683 3.759 1
1 1148 . 12 1 1 A 93 93 GLN H H 93 8.873 8.701 0.172 1
1 1149 . 12 1 1 A 93 93 GLN HA H 93 5.048 5.007 0.041 1
1 1156 . 12 1 1 A 93 93 GLN C C 93 174.145 174.520 -0.375 1
1 1157 . 12 1 1 A 93 93 GLN CA C 93 54.262 54.552 -0.290 1
1 1158 . 12 1 1 A 93 93 GLN CB C 93 33.131 32.604 0.527 1
1 1160 . 12 1 1 A 93 93 GLN N N 93 117.328 122.204 -4.876 1
1 1162 . 12 1 1 A 94 94 THR H H 94 8.846 8.584 0.262 1
1 1163 . 12 1 1 A 94 94 THR HA H 94 3.979 4.561 -0.582 1
1 1168 . 12 1 1 A 94 94 THR C C 94 174.677 174.600 0.077 1
1 1169 . 12 1 1 A 94 94 THR CA C 94 64.467 62.615 1.852 1
1 1170 . 12 1 1 A 94 94 THR CB C 94 68.894 69.052 -0.158 1
1 1172 . 12 1 1 A 94 94 THR N N 94 116.526 113.165 3.361 1
1 1173 . 12 1 1 A 95 95 ALA H H 95 8.188 8.603 -0.415 1
1 1174 . 12 1 1 A 95 95 ALA HA H 95 4.161 4.349 -0.188 1
1 1178 . 12 1 1 A 95 95 ALA C C 95 176.285 178.001 -1.716 1
1 1179 . 12 1 1 A 95 95 ALA CA C 95 51.847 52.297 -0.450 1
1 1180 . 12 1 1 A 95 95 ALA CB C 95 18.999 20.288 -1.289 1
1 1181 . 12 1 1 A 95 95 ALA N N 95 126.311 128.622 -2.311 1
1 1182 . 12 1 1 A 96 96 GLN H H 96 8.324 8.636 -0.312 1
1 1183 . 12 1 1 A 96 96 GLN HA H 96 4.175 4.205 -0.030 1
1 1190 . 12 1 1 A 96 96 GLN C C 96 176.230 176.059 0.171 1
1 1191 . 12 1 1 A 96 96 GLN CA C 96 54.621 57.935 -3.314 1
1 1192 . 12 1 1 A 96 96 GLN CB C 96 30.003 28.892 1.111 1
1 1194 . 12 1 1 A 96 96 GLN N N 96 116.920 119.287 -2.367 1
1 1196 . 12 1 1 A 97 97 ASN H H 97 8.512 7.813 0.699 1
1 1197 . 12 1 1 A 97 97 ASN HA H 97 4.436 4.777 -0.341 1
1 1200 . 12 1 1 A 97 97 ASN CA C 97 52.928 51.037 1.891 1
1 1201 . 12 1 1 A 97 97 ASN CB C 97 37.851 40.944 -3.093 1
1 1202 . 12 1 1 A 97 97 ASN N N 97 119.656 112.304 7.352 1
1 1203 . 12 1 1 A 98 98 PRO HA H 98 4.566 4.337 0.229 1
1 1210 . 12 1 1 A 98 98 PRO C C 98 175.164 175.854 -0.690 1
1 1211 . 12 1 1 A 98 98 PRO CA C 98 63.824 63.622 0.202 1
1 1212 . 12 1 1 A 98 98 PRO CB C 98 32.473 32.338 0.135 1
1 1215 . 12 1 1 A 99 99 TYR H H 99 8.780 7.307 1.473 1
1 1216 . 12 1 1 A 99 99 TYR HA H 99 4.996 4.687 0.309 1
1 1223 . 12 1 1 A 99 99 TYR C C 99 176.421 176.252 0.169 1
1 1224 . 12 1 1 A 99 99 TYR CA C 99 55.837 57.756 -1.919 1
1 1225 . 12 1 1 A 99 99 TYR CB C 99 37.199 37.739 -0.540 1
1 1230 . 12 1 1 A 99 99 TYR N N 99 127.975 119.379 8.596 1
1 1231 . 12 1 1 A 100 100 SER H H 100 7.655 8.075 -0.420 1
1 1232 . 12 1 1 A 100 100 SER HA H 100 4.274 4.482 -0.208 1
1 1235 . 12 1 1 A 100 100 SER C C 100 174.144 176.663 -2.519 1
1 1236 . 12 1 1 A 100 100 SER CA C 100 60.567 61.318 -0.751 1
1 1237 . 12 1 1 A 100 100 SER CB C 100 63.266 62.973 0.293 1
1 1238 . 12 1 1 A 100 100 SER N N 100 113.164 117.570 -4.406 1
1 1239 . 12 1 1 A 101 101 ASP H H 101 8.736 8.479 0.257 1
1 1240 . 12 1 1 A 101 101 ASP HA H 101 4.688 4.516 0.172 1
1 1243 . 12 1 1 A 101 101 ASP C C 101 175.535 176.842 -1.307 1
1 1244 . 12 1 1 A 101 101 ASP CA C 101 54.103 55.314 -1.211 1
1 1245 . 12 1 1 A 101 101 ASP CB C 101 40.098 39.878 0.220 1
1 1246 . 12 1 1 A 101 101 ASP N N 101 118.476 117.754 0.722 1
1 1247 . 12 1 1 A 102 102 GLU H H 102 8.127 8.264 -0.137 1
1 1248 . 12 1 1 A 102 102 GLU HA H 102 4.448 4.734 -0.286 1
1 1253 . 12 1 1 A 102 102 GLU CA C 102 54.963 55.369 -0.406 1
1 1254 . 12 1 1 A 102 102 GLU CB C 102 31.769 31.628 0.141 1
1 1256 . 12 1 1 A 102 102 GLU N N 102 119.744 119.552 0.192 1
1 1257 . 12 1 1 A 103 103 ILE H H 103 8.645 8.495 0.150 1
1 1258 . 12 1 1 A 103 103 ILE HA H 103 4.001 4.736 -0.735 1
1 1268 . 12 1 1 A 103 103 ILE C C 103 174.065 174.585 -0.520 1
1 1269 . 12 1 1 A 103 103 ILE CA C 103 60.418 60.877 -0.459 1
1 1270 . 12 1 1 A 103 103 ILE CB C 103 40.781 40.885 -0.104 1
1 1274 . 12 1 1 A 103 103 ILE N N 103 121.388 120.756 0.632 1
1 1275 . 12 1 1 A 104 104 GLU H H 104 8.957 9.114 -0.157 1
1 1276 . 12 1 1 A 104 104 GLU HA H 104 5.099 4.557 0.542 1
1 1281 . 12 1 1 A 104 104 GLU C C 104 175.093 175.298 -0.205 1
1 1282 . 12 1 1 A 104 104 GLU CA C 104 54.898 56.255 -1.357 1
1 1283 . 12 1 1 A 104 104 GLU CB C 104 32.330 30.065 2.265 1
1 1285 . 12 1 1 A 104 104 GLU N N 104 125.935 128.446 -2.511 1
1 1286 . 12 1 1 A 105 105 THR H H 105 8.774 8.798 -0.024 1
1 1287 . 12 1 1 A 105 105 THR HA H 105 5.226 4.968 0.258 1
1 1292 . 12 1 1 A 105 105 THR C C 105 174.876 173.719 1.157 1
1 1293 . 12 1 1 A 105 105 THR CA C 105 61.469 62.227 -0.758 1
1 1294 . 12 1 1 A 105 105 THR CB C 105 70.382 69.956 0.426 1
1 1296 . 12 1 1 A 105 105 THR N N 105 127.200 121.167 6.033 1
1 1297 . 12 1 1 A 106 106 ILE H H 106 9.186 9.042 0.144 1
1 1298 . 12 1 1 A 106 106 ILE HA H 106 4.486 4.635 -0.149 1
1 1308 . 12 1 1 A 106 106 ILE C C 106 175.412 175.143 0.269 1
1 1309 . 12 1 1 A 106 106 ILE CA C 106 61.423 60.475 0.948 1
1 1310 . 12 1 1 A 106 106 ILE CB C 106 38.432 37.697 0.735 1
1 1313 . 12 1 1 A 106 106 ILE N N 106 107.991 128.365 -20.374 1
1 1314 . 12 1 1 A 107 107 ILE H H 107 8.431 8.311 0.120 1
1 1315 . 12 1 1 A 107 107 ILE HA H 107 4.239 4.430 -0.191 1
1 1325 . 12 1 1 A 107 107 ILE C C 107 173.805 174.649 -0.844 1
1 1326 . 12 1 1 A 107 107 ILE CA C 107 61.459 60.748 0.711 1
1 1327 . 12 1 1 A 107 107 ILE CB C 107 37.499 36.940 0.559 1
1 1331 . 12 1 1 A 107 107 ILE N N 107 129.202 128.495 0.707 1
1 1332 . 12 1 1 A 108 108 CYS H H 108 8.581 9.182 -0.601 1
1 1333 . 12 1 1 A 108 108 CYS HA H 108 5.298 5.046 0.252 1
1 1336 . 12 1 1 A 108 108 CYS C C 108 174.235 173.985 0.250 1
1 1337 . 12 1 1 A 108 108 CYS CA C 108 55.861 56.873 -1.012 1
1 1338 . 12 1 1 A 108 108 CYS CB C 108 31.110 30.857 0.253 1
1 1339 . 12 1 1 A 108 108 CYS N N 108 124.561 127.962 -3.401 1
1 1340 . 12 1 1 A 109 109 THR H H 109 8.701 8.819 -0.118 1
1 1341 . 12 1 1 A 109 109 THR HA H 109 4.733 4.434 0.299 1
1 1346 . 12 1 1 A 109 109 THR C C 109 174.927 173.905 1.022 1
1 1347 . 12 1 1 A 109 109 THR CA C 109 63.466 62.380 1.086 1
1 1348 . 12 1 1 A 109 109 THR CB C 109 69.636 69.578 0.058 1
1 1350 . 12 1 1 A 109 109 THR N N 109 119.017 118.903 0.114 1
1 1351 . 12 1 1 A 110 110 ASN H H 110 8.527 8.793 -0.266 1
1 1352 . 12 1 1 A 110 110 ASN HA H 110 4.891 4.938 -0.047 1
1 1357 . 12 1 1 A 110 110 ASN C C 110 174.829 175.073 -0.244 1
1 1358 . 12 1 1 A 110 110 ASN CA C 110 53.104 52.242 0.862 1
1 1359 . 12 1 1 A 110 110 ASN CB C 110 39.813 39.500 0.313 1
1 1360 . 12 1 1 A 110 110 ASN N N 110 122.861 122.108 0.753 1
1 1362 . 12 1 1 A 111 111 THR H H 111 8.159 8.739 -0.580 1
1 1363 . 12 1 1 A 111 111 THR HA H 111 4.407 3.927 0.480 1
1 1368 . 12 1 1 A 111 111 THR C C 111 174.189 173.068 1.121 1
1 1369 . 12 1 1 A 111 111 THR CA C 111 61.900 63.148 -1.248 1
1 1370 . 12 1 1 A 111 111 THR CB C 111 69.400 67.868 1.532 1
1 1372 . 12 1 1 A 111 111 THR N N 111 114.879 115.216 -0.337 1
1 1373 . 12 1 1 A 112 112 ASN H H 112 8.359 7.872 0.487 1
1 1374 . 12 1 1 A 112 112 ASN N N 112 121.000 117.937 3.063 1
1 1375 . 12 1 1 A 117 117 SER C C 117 174.242 173.932 0.310 1
1 1376 . 12 1 1 A 117 117 SER CA C 117 58.557 58.735 -0.178 1
1 1377 . 12 1 1 A 117 117 SER CB C 117 63.729 63.630 0.099 1
1 1378 . 12 1 1 A 118 118 GLN H H 118 8.304 8.423 -0.119 1
1 1379 . 12 1 1 A 118 118 GLN C C 118 174.889 174.071 0.818 1
1 1380 . 12 1 1 A 118 118 GLN CA C 118 55.764 56.102 -0.338 1
1 1381 . 12 1 1 A 118 118 GLN CB C 118 29.659 30.664 -1.005 1
1 1382 . 12 1 1 A 118 118 GLN N N 118 122.171 126.103 -3.932 1
1 1 . 13 1 1 A 2 2 ALA HA H 2 4.298 4.458 -0.160 1
1 5 . 13 1 1 A 2 2 ALA CA C 2 53.448 52.539 0.909 1
1 6 . 13 1 1 A 2 2 ALA CB C 2 19.236 20.612 -1.376 1
1 7 . 13 1 1 A 3 3 MET H H 3 8.518 7.780 0.738 1
1 12 . 13 1 1 A 3 3 MET N N 3 117.762 116.232 1.530 1
1 13 . 13 1 1 A 4 4 ASP CA C 4 54.632 53.160 1.472 1
1 14 . 13 1 1 A 4 4 ASP CB C 4 41.102 41.196 -0.094 1
1 15 . 13 1 1 A 5 5 ASN H H 5 8.332 8.197 0.135 1
1 18 . 13 1 1 A 5 5 ASN CA C 5 53.361 52.939 0.422 1
1 19 . 13 1 1 A 5 5 ASN CB C 5 38.775 39.132 -0.357 1
1 20 . 13 1 1 A 5 5 ASN N N 5 118.200 119.622 -1.422 1
1 22 . 13 1 1 A 6 6 VAL H H 6 7.939 7.673 0.266 1
1 23 . 13 1 1 A 6 6 VAL HA H 6 4.142 3.573 0.569 1
1 31 . 13 1 1 A 6 6 VAL CA C 6 62.634 65.616 -2.982 1
1 32 . 13 1 1 A 6 6 VAL CB C 6 32.598 31.797 0.801 1
1 35 . 13 1 1 A 6 6 VAL N N 6 120.396 120.550 -0.154 1
1 36 . 13 1 1 A 7 7 CYS H H 7 8.304 7.921 0.383 1
1 37 . 13 1 1 A 7 7 CYS CA C 7 56.095 60.437 -4.342 1
1 38 . 13 1 1 A 7 7 CYS CB C 7 32.967 26.180 6.787 1
1 39 . 13 1 1 A 7 7 CYS N N 7 124.774 118.958 5.816 1
1 40 . 13 1 1 A 9 9 PRO HA H 9 4.547 4.704 -0.157 1
1 46 . 13 1 1 A 9 9 PRO C C 9 176.493 175.730 0.763 1
1 47 . 13 1 1 A 9 9 PRO CA C 9 63.142 62.480 0.662 1
1 48 . 13 1 1 A 9 9 PRO CB C 9 32.554 32.918 -0.364 1
1 51 . 13 1 1 A 10 10 THR H H 10 8.368 8.745 -0.377 1
1 52 . 13 1 1 A 10 10 THR HA H 10 4.418 4.431 -0.013 1
1 57 . 13 1 1 A 10 10 THR C C 10 172.743 173.578 -0.835 1
1 58 . 13 1 1 A 10 10 THR CA C 10 61.197 62.947 -1.750 1
1 59 . 13 1 1 A 10 10 THR CB C 10 69.660 71.134 -1.474 1
1 61 . 13 1 1 A 10 10 THR N N 10 112.513 113.707 -1.194 1
1 62 . 13 1 1 A 11 11 GLU H H 11 7.813 7.982 -0.169 1
1 63 . 13 1 1 A 11 11 GLU HA H 11 5.549 5.080 0.469 1
1 68 . 13 1 1 A 11 11 GLU C C 11 173.062 174.093 -1.031 1
1 69 . 13 1 1 A 11 11 GLU CA C 11 53.855 55.573 -1.718 1
1 70 . 13 1 1 A 11 11 GLU CB C 11 33.820 32.805 1.015 1
1 72 . 13 1 1 A 11 11 GLU N N 11 119.491 116.264 3.227 1
1 73 . 13 1 1 A 12 12 PHE H H 12 8.198 8.791 -0.593 1
1 74 . 13 1 1 A 12 12 PHE HA H 12 5.014 5.818 -0.804 1
1 82 . 13 1 1 A 12 12 PHE C C 12 171.976 173.599 -1.623 1
1 83 . 13 1 1 A 12 12 PHE CA C 12 55.597 55.338 0.259 1
1 84 . 13 1 1 A 12 12 PHE CB C 12 42.384 42.089 0.295 1
1 90 . 13 1 1 A 12 12 PHE N N 12 111.146 117.213 -6.067 1
1 91 . 13 1 1 A 13 13 ILE H H 13 8.655 8.960 -0.305 1
1 92 . 13 1 1 A 13 13 ILE HA H 13 4.165 4.421 -0.256 1
1 102 . 13 1 1 A 13 13 ILE C C 13 173.432 175.029 -1.597 1
1 103 . 13 1 1 A 13 13 ILE CA C 13 62.270 62.100 0.170 1
1 104 . 13 1 1 A 13 13 ILE CB C 13 39.957 36.963 2.994 1
1 108 . 13 1 1 A 13 13 ILE N N 13 121.427 124.668 -3.241 1
1 109 . 13 1 1 A 14 14 SER H H 14 8.034 8.968 -0.934 1
1 110 . 13 1 1 A 14 14 SER HA H 14 5.588 5.159 0.429 1
1 113 . 13 1 1 A 14 14 SER C C 14 173.429 173.445 -0.016 1
1 114 . 13 1 1 A 14 14 SER CA C 14 56.650 56.502 0.148 1
1 115 . 13 1 1 A 14 14 SER CB C 14 70.177 64.788 5.389 1
1 116 . 13 1 1 A 14 14 SER N N 14 121.358 123.650 -2.292 1
1 117 . 13 1 1 A 15 15 ARG H H 15 9.545 8.849 0.696 1
1 118 . 13 1 1 A 15 15 ARG HA H 15 5.826 4.802 1.024 1
1 126 . 13 1 1 A 15 15 ARG C C 15 176.042 175.646 0.396 1
1 127 . 13 1 1 A 15 15 ARG CA C 15 55.105 55.452 -0.347 1
1 128 . 13 1 1 A 15 15 ARG CB C 15 35.587 32.549 3.038 1
1 131 . 13 1 1 A 15 15 ARG N N 15 118.317 127.344 -9.027 1
1 133 . 13 1 1 A 16 16 HIS H H 16 8.730 8.243 0.487 1
1 134 . 13 1 1 A 16 16 HIS HA H 16 5.555 5.492 0.063 1
1 141 . 13 1 1 A 16 16 HIS C C 16 174.062 173.057 1.005 1
1 142 . 13 1 1 A 16 16 HIS CA C 16 54.057 54.481 -0.424 1
1 143 . 13 1 1 A 16 16 HIS CB C 16 31.334 31.264 0.070 1
1 146 . 13 1 1 A 16 16 HIS N N 16 117.425 116.883 0.542 1
1 148 . 13 1 1 A 17 17 ASN H H 17 8.201 8.738 -0.537 1
1 149 . 13 1 1 A 17 17 ASN HA H 17 4.897 5.075 -0.178 1
1 154 . 13 1 1 A 17 17 ASN C C 17 178.263 175.650 2.613 1
1 155 . 13 1 1 A 17 17 ASN CA C 17 51.104 51.678 -0.574 1
1 156 . 13 1 1 A 17 17 ASN CB C 17 38.469 39.027 -0.558 1
1 157 . 13 1 1 A 17 17 ASN N N 17 116.276 117.918 -1.642 1
1 159 . 13 1 1 A 18 18 ILE H H 18 8.774 8.800 -0.026 1
1 160 . 13 1 1 A 18 18 ILE HA H 18 3.795 3.911 -0.116 1
1 170 . 13 1 1 A 18 18 ILE C C 18 174.851 177.751 -2.900 1
1 171 . 13 1 1 A 18 18 ILE CA C 18 64.399 64.060 0.339 1
1 172 . 13 1 1 A 18 18 ILE CB C 18 38.072 37.861 0.211 1
1 176 . 13 1 1 A 18 18 ILE N N 18 120.001 120.212 -0.211 1
1 177 . 13 1 1 A 19 19 GLU H H 19 7.213 7.829 -0.616 1
1 178 . 13 1 1 A 19 19 GLU HA H 19 4.225 4.117 0.108 1
1 183 . 13 1 1 A 19 19 GLU CA C 19 57.145 56.819 0.326 1
1 184 . 13 1 1 A 19 19 GLU CB C 19 29.878 29.834 0.044 1
1 186 . 13 1 1 A 19 19 GLU N N 19 116.538 120.023 -3.485 1
1 187 . 13 1 1 A 20 20 GLY H H 20 7.845 7.892 -0.047 1
1 188 . 13 1 1 A 20 20 GLY HA2 H 20 4.878 2.829 2.049 1
1 189 . 13 1 1 A 20 20 GLY HA3 H 20 2.886 3.643 -0.757 1
1 190 . 13 1 1 A 20 20 GLY C C 20 172.992 174.078 -1.086 1
1 191 . 13 1 1 A 20 20 GLY CA C 20 44.049 44.304 -0.255 1
1 192 . 13 1 1 A 20 20 GLY N N 20 104.883 106.153 -1.270 1
1 193 . 13 1 1 A 21 21 ILE H H 21 7.841 7.588 0.253 1
1 194 . 13 1 1 A 21 21 ILE HA H 21 3.995 4.087 -0.092 1
1 204 . 13 1 1 A 21 21 ILE C C 21 176.915 175.475 1.440 1
1 205 . 13 1 1 A 21 21 ILE CA C 21 60.302 61.669 -1.367 1
1 206 . 13 1 1 A 21 21 ILE CB C 21 36.111 38.002 -1.891 1
1 210 . 13 1 1 A 21 21 ILE N N 21 120.855 122.702 -1.847 1
1 211 . 13 1 1 A 22 22 PHE H H 22 8.896 8.610 0.286 1
1 212 . 13 1 1 A 22 22 PHE HA H 22 5.052 5.007 0.045 1
1 220 . 13 1 1 A 22 22 PHE C C 22 177.971 176.249 1.722 1
1 221 . 13 1 1 A 22 22 PHE CA C 22 59.625 58.905 0.720 1
1 222 . 13 1 1 A 22 22 PHE CB C 22 39.984 39.043 0.941 1
1 228 . 13 1 1 A 22 22 PHE N N 22 125.849 128.553 -2.704 1
1 229 . 13 1 1 A 23 23 THR H H 23 9.771 8.874 0.897 1
1 230 . 13 1 1 A 23 23 THR HA H 23 4.403 4.489 -0.086 1
1 235 . 13 1 1 A 23 23 THR C C 23 175.589 174.511 1.078 1
1 236 . 13 1 1 A 23 23 THR CA C 23 61.611 62.271 -0.660 1
1 237 . 13 1 1 A 23 23 THR CB C 23 69.193 69.170 0.023 1
1 239 . 13 1 1 A 23 23 THR N N 23 117.677 115.432 2.245 1
1 240 . 13 1 1 A 24 24 PHE H H 24 7.948 7.420 0.528 1
1 241 . 13 1 1 A 24 24 PHE HA H 24 4.483 4.780 -0.297 1
1 249 . 13 1 1 A 24 24 PHE C C 24 173.376 173.307 0.069 1
1 250 . 13 1 1 A 24 24 PHE CA C 24 59.142 58.265 0.877 1
1 251 . 13 1 1 A 24 24 PHE CB C 24 42.161 42.343 -0.182 1
1 257 . 13 1 1 A 24 24 PHE N N 24 123.378 121.202 2.176 1
1 258 . 13 1 1 A 25 25 VAL H H 25 7.340 7.366 -0.026 1
1 259 . 13 1 1 A 25 25 VAL HA H 25 4.166 4.328 -0.162 1
1 267 . 13 1 1 A 25 25 VAL C C 25 173.103 173.495 -0.392 1
1 268 . 13 1 1 A 25 25 VAL CA C 25 61.539 60.396 1.143 1
1 269 . 13 1 1 A 25 25 VAL CB C 25 35.683 35.075 0.608 1
1 272 . 13 1 1 A 25 25 VAL N N 25 124.777 123.588 1.189 1
1 273 . 13 1 1 A 26 26 ASP H H 26 7.942 8.412 -0.470 1
1 274 . 13 1 1 A 26 26 ASP HA H 26 4.466 4.668 -0.202 1
1 277 . 13 1 1 A 26 26 ASP C C 26 175.258 177.203 -1.945 1
1 278 . 13 1 1 A 26 26 ASP CA C 26 53.318 54.326 -1.008 1
1 279 . 13 1 1 A 26 26 ASP CB C 26 42.461 42.287 0.174 1
1 280 . 13 1 1 A 26 26 ASP N N 26 125.573 126.512 -0.939 1
1 281 . 13 1 1 A 27 27 HIS H H 27 8.115 8.910 -0.795 1
1 282 . 13 1 1 A 27 27 HIS HA H 27 4.222 4.066 0.156 1
1 286 . 13 1 1 A 27 27 HIS C C 27 177.268 176.630 0.638 1
1 287 . 13 1 1 A 27 27 HIS CA C 27 59.164 59.138 0.026 1
1 288 . 13 1 1 A 27 27 HIS CB C 27 30.374 29.349 1.025 1
1 290 . 13 1 1 A 27 27 HIS N N 27 117.576 123.662 -6.086 1
1 291 . 13 1 1 A 28 28 ARG H H 28 8.724 8.462 0.262 1
1 292 . 13 1 1 A 28 28 ARG HA H 28 4.210 3.620 0.590 1
1 300 . 13 1 1 A 28 28 ARG C C 28 177.838 178.701 -0.863 1
1 301 . 13 1 1 A 28 28 ARG CA C 28 58.199 59.486 -1.287 1
1 302 . 13 1 1 A 28 28 ARG CB C 28 29.815 29.631 0.184 1
1 305 . 13 1 1 A 28 28 ARG N N 28 122.414 121.345 1.069 1
1 307 . 13 1 1 A 29 29 CYS H H 29 8.102 8.279 -0.177 1
1 308 . 13 1 1 A 29 29 CYS HA H 29 3.124 3.156 -0.032 1
1 311 . 13 1 1 A 29 29 CYS C C 29 175.551 176.955 -1.404 1
1 312 . 13 1 1 A 29 29 CYS CA C 29 59.988 61.104 -1.116 1
1 313 . 13 1 1 A 29 29 CYS CB C 29 25.101 26.317 -1.216 1
1 314 . 13 1 1 A 29 29 CYS N N 29 119.987 117.513 2.474 1
1 315 . 13 1 1 A 30 30 VAL H H 30 7.139 7.283 -0.144 1
1 316 . 13 1 1 A 30 30 VAL HA H 30 3.373 3.664 -0.291 1
1 324 . 13 1 1 A 30 30 VAL C C 30 178.225 177.916 0.309 1
1 325 . 13 1 1 A 30 30 VAL CA C 30 65.903 64.433 1.470 1
1 326 . 13 1 1 A 30 30 VAL CB C 30 31.446 31.465 -0.019 1
1 329 . 13 1 1 A 30 30 VAL N N 30 125.016 119.946 5.070 1
1 330 . 13 1 1 A 31 31 ALA H H 31 7.393 7.656 -0.263 1
1 331 . 13 1 1 A 31 31 ALA HA H 31 4.126 4.095 0.031 1
1 335 . 13 1 1 A 31 31 ALA C C 31 178.111 179.731 -1.620 1
1 336 . 13 1 1 A 31 31 ALA CA C 31 53.715 54.611 -0.896 1
1 337 . 13 1 1 A 31 31 ALA CB C 31 19.223 18.417 0.806 1
1 338 . 13 1 1 A 31 31 ALA N N 31 120.554 124.125 -3.571 1
1 339 . 13 1 1 A 32 32 THR H H 32 7.253 7.796 -0.543 1
1 340 . 13 1 1 A 32 32 THR HA H 32 4.116 4.064 0.052 1
1 345 . 13 1 1 A 32 32 THR C C 32 175.655 175.998 -0.343 1
1 346 . 13 1 1 A 32 32 THR CA C 32 64.727 65.366 -0.639 1
1 347 . 13 1 1 A 32 32 THR CB C 32 69.144 69.371 -0.227 1
1 349 . 13 1 1 A 32 32 THR N N 32 109.150 113.607 -4.457 1
1 350 . 13 1 1 A 33 33 VAL H H 33 7.939 7.677 0.262 1
1 351 . 13 1 1 A 33 33 VAL HA H 33 4.504 4.600 -0.096 1
1 359 . 13 1 1 A 33 33 VAL C C 33 175.594 176.238 -0.644 1
1 360 . 13 1 1 A 33 33 VAL CA C 33 60.596 60.434 0.162 1
1 361 . 13 1 1 A 33 33 VAL CB C 33 34.900 31.337 3.563 1
1 364 . 13 1 1 A 33 33 VAL N N 33 108.519 113.157 -4.638 1
1 365 . 13 1 1 A 34 34 GLY H H 34 7.439 7.778 -0.339 1
1 366 . 13 1 1 A 34 34 GLY HA2 H 34 4.099 3.679 0.420 1
1 367 . 13 1 1 A 34 34 GLY HA3 H 34 3.846 3.779 0.067 1
1 368 . 13 1 1 A 34 34 GLY C C 34 173.655 173.561 0.094 1
1 369 . 13 1 1 A 34 34 GLY CA C 34 46.538 45.405 1.133 1
1 370 . 13 1 1 A 34 34 GLY N N 34 109.672 110.193 -0.521 1
1 371 . 13 1 1 A 35 35 TYR H H 35 6.215 7.586 -1.371 1
1 372 . 13 1 1 A 35 35 TYR HA H 35 4.415 4.842 -0.427 1
1 379 . 13 1 1 A 35 35 TYR C C 35 174.492 175.341 -0.849 1
1 380 . 13 1 1 A 35 35 TYR CA C 35 57.289 58.876 -1.587 1
1 381 . 13 1 1 A 35 35 TYR CB C 35 40.784 38.127 2.657 1
1 386 . 13 1 1 A 35 35 TYR N N 35 117.067 119.968 -2.901 1
1 387 . 13 1 1 A 36 36 GLN H H 36 9.145 8.477 0.668 1
1 388 . 13 1 1 A 36 36 GLN HA H 36 4.285 4.223 0.062 1
1 393 . 13 1 1 A 36 36 GLN CA C 36 53.760 54.619 -0.859 1
1 394 . 13 1 1 A 36 36 GLN CB C 36 27.558 28.457 -0.899 1
1 396 . 13 1 1 A 36 36 GLN N N 36 117.664 124.172 -6.508 1
1 397 . 13 1 1 A 37 37 PRO HA H 37 3.755 4.029 -0.274 1
1 404 . 13 1 1 A 37 37 PRO C C 37 178.629 178.208 0.421 1
1 405 . 13 1 1 A 37 37 PRO CA C 37 66.415 65.792 0.623 1
1 406 . 13 1 1 A 37 37 PRO CB C 37 31.313 31.644 -0.331 1
1 409 . 13 1 1 A 38 38 GLN H H 38 8.870 8.806 0.064 1
1 410 . 13 1 1 A 38 38 GLN HA H 38 3.996 4.065 -0.069 1
1 415 . 13 1 1 A 38 38 GLN C C 38 177.121 177.596 -0.475 1
1 416 . 13 1 1 A 38 38 GLN CA C 38 58.468 58.803 -0.335 1
1 417 . 13 1 1 A 38 38 GLN CB C 38 27.259 27.671 -0.412 1
1 419 . 13 1 1 A 38 38 GLN N N 38 113.031 115.366 -2.335 1
1 420 . 13 1 1 A 39 39 GLU H H 39 7.799 7.926 -0.127 1
1 421 . 13 1 1 A 39 39 GLU HA H 39 4.203 4.220 -0.017 1
1 426 . 13 1 1 A 39 39 GLU C C 39 175.485 177.125 -1.640 1
1 427 . 13 1 1 A 39 39 GLU CA C 39 57.598 58.429 -0.831 1
1 428 . 13 1 1 A 39 39 GLU CB C 39 30.955 29.525 1.430 1
1 430 . 13 1 1 A 39 39 GLU N N 39 117.366 119.667 -2.301 1
1 431 . 13 1 1 A 40 40 LEU H H 40 7.001 7.322 -0.321 1
1 432 . 13 1 1 A 40 40 LEU HA H 40 4.205 4.519 -0.314 1
1 442 . 13 1 1 A 40 40 LEU C C 40 176.417 177.327 -0.910 1
1 443 . 13 1 1 A 40 40 LEU CA C 40 55.345 55.544 -0.199 1
1 444 . 13 1 1 A 40 40 LEU CB C 40 43.190 43.487 -0.297 1
1 448 . 13 1 1 A 40 40 LEU N N 40 116.615 118.635 -2.020 1
1 449 . 13 1 1 A 41 41 LEU H H 41 7.521 7.924 -0.403 1
1 450 . 13 1 1 A 41 41 LEU HA H 41 3.678 4.283 -0.605 1
1 460 . 13 1 1 A 41 41 LEU C C 41 177.754 177.966 -0.212 1
1 461 . 13 1 1 A 41 41 LEU CA C 41 57.050 57.308 -0.258 1
1 462 . 13 1 1 A 41 41 LEU CB C 41 42.155 41.645 0.510 1
1 466 . 13 1 1 A 41 41 LEU N N 41 117.814 121.197 -3.383 1
1 467 . 13 1 1 A 42 42 GLY H H 42 8.535 9.276 -0.741 1
1 468 . 13 1 1 A 42 42 GLY HA2 H 42 4.328 4.011 0.317 1
1 469 . 13 1 1 A 42 42 GLY HA3 H 42 3.601 4.011 -0.410 1
1 470 . 13 1 1 A 42 42 GLY C C 42 173.808 173.753 0.055 1
1 471 . 13 1 1 A 42 42 GLY CA C 42 45.689 45.270 0.419 1
1 472 . 13 1 1 A 42 42 GLY N N 42 110.496 111.933 -1.437 1
1 473 . 13 1 1 A 43 43 LYS H H 43 8.398 8.142 0.256 1
1 474 . 13 1 1 A 43 43 LYS HA H 43 4.680 4.596 0.084 1
1 483 . 13 1 1 A 43 43 LYS C C 43 173.943 175.495 -1.552 1
1 484 . 13 1 1 A 43 43 LYS CA C 43 54.361 54.654 -0.293 1
1 485 . 13 1 1 A 43 43 LYS CB C 43 33.960 34.184 -0.224 1
1 489 . 13 1 1 A 43 43 LYS N N 43 120.461 120.773 -0.312 1
1 490 . 13 1 1 A 44 44 ASN H H 44 8.892 8.131 0.761 1
1 491 . 13 1 1 A 44 44 ASN HA H 44 4.690 4.603 0.087 1
1 496 . 13 1 1 A 44 44 ASN C C 44 176.922 175.647 1.275 1
1 497 . 13 1 1 A 44 44 ASN CA C 44 52.256 53.178 -0.922 1
1 498 . 13 1 1 A 44 44 ASN CB C 44 40.451 39.608 0.843 1
1 499 . 13 1 1 A 44 44 ASN N N 44 119.869 121.811 -1.942 1
1 501 . 13 1 1 A 45 45 ILE H H 45 8.543 8.283 0.260 1
1 502 . 13 1 1 A 45 45 ILE HA H 45 3.887 3.656 0.231 1
1 511 . 13 1 1 A 45 45 ILE C C 45 176.137 177.031 -0.894 1
1 512 . 13 1 1 A 45 45 ILE CA C 45 65.116 64.131 0.985 1
1 513 . 13 1 1 A 45 45 ILE CB C 45 36.637 37.515 -0.878 1
1 517 . 13 1 1 A 45 45 ILE N N 45 129.131 127.515 1.616 1
1 518 . 13 1 1 A 46 46 VAL H H 46 9.059 7.326 1.733 1
1 519 . 13 1 1 A 46 46 VAL HA H 46 3.439 3.740 -0.301 1
1 527 . 13 1 1 A 46 46 VAL C C 46 178.407 178.211 0.196 1
1 528 . 13 1 1 A 46 46 VAL CA C 46 65.705 65.362 0.343 1
1 529 . 13 1 1 A 46 46 VAL CB C 46 31.022 31.165 -0.143 1
1 532 . 13 1 1 A 46 46 VAL N N 46 118.981 117.487 1.494 1
1 533 . 13 1 1 A 47 47 GLU H H 47 7.923 8.369 -0.446 1
1 534 . 13 1 1 A 47 47 GLU HA H 47 3.989 3.919 0.070 1
1 539 . 13 1 1 A 47 47 GLU C C 47 177.664 178.493 -0.829 1
1 540 . 13 1 1 A 47 47 GLU CA C 47 57.999 59.036 -1.037 1
1 541 . 13 1 1 A 47 47 GLU CB C 47 28.849 28.957 -0.108 1
1 543 . 13 1 1 A 47 47 GLU N N 47 117.733 121.687 -3.954 1
1 544 . 13 1 1 A 48 48 PHE H H 48 7.689 7.413 0.276 1
1 545 . 13 1 1 A 48 48 PHE HA H 48 4.177 4.238 -0.061 1
1 553 . 13 1 1 A 48 48 PHE C C 48 172.739 175.857 -3.118 1
1 554 . 13 1 1 A 48 48 PHE CA C 48 57.725 59.676 -1.951 1
1 555 . 13 1 1 A 48 48 PHE CB C 48 39.428 39.438 -0.010 1
1 561 . 13 1 1 A 48 48 PHE N N 48 117.768 115.148 2.620 1
1 562 . 13 1 1 A 49 49 CYS H H 49 7.413 7.323 0.090 1
1 563 . 13 1 1 A 49 49 CYS HA H 49 5.671 4.993 0.678 1
1 566 . 13 1 1 A 49 49 CYS CA C 49 56.429 60.012 -3.583 1
1 567 . 13 1 1 A 49 49 CYS CB C 49 28.747 28.121 0.626 1
1 568 . 13 1 1 A 49 49 CYS N N 49 119.705 118.396 1.309 1
1 569 . 13 1 1 A 50 50 HIS H H 50 8.640 8.512 0.128 1
1 570 . 13 1 1 A 50 50 HIS HA H 50 3.655 4.033 -0.378 1
1 574 . 13 1 1 A 50 50 HIS CA C 50 56.934 54.818 2.116 1
1 575 . 13 1 1 A 50 50 HIS CB C 50 32.071 30.255 1.816 1
1 577 . 13 1 1 A 50 50 HIS N N 50 134.180 124.839 9.341 1
1 578 . 13 1 1 A 51 51 PRO HA H 51 4.044 4.173 -0.129 1
1 584 . 13 1 1 A 51 51 PRO C C 51 179.121 179.011 0.110 1
1 585 . 13 1 1 A 51 51 PRO CA C 51 65.989 66.111 -0.122 1
1 586 . 13 1 1 A 51 51 PRO CB C 51 32.605 31.597 1.008 1
1 589 . 13 1 1 A 52 52 GLU H H 52 10.986 8.912 2.074 1
1 590 . 13 1 1 A 52 52 GLU HA H 52 4.125 4.099 0.026 1
1 595 . 13 1 1 A 52 52 GLU C C 52 177.643 177.360 0.283 1
1 596 . 13 1 1 A 52 52 GLU CA C 52 58.522 58.995 -0.473 1
1 597 . 13 1 1 A 52 52 GLU CB C 52 29.347 28.774 0.573 1
1 599 . 13 1 1 A 52 52 GLU N N 52 119.351 117.772 1.579 1
1 600 . 13 1 1 A 53 53 ASP H H 53 8.203 8.130 0.073 1
1 601 . 13 1 1 A 53 53 ASP HA H 53 4.898 4.573 0.325 1
1 604 . 13 1 1 A 53 53 ASP C C 53 175.641 177.352 -1.711 1
1 605 . 13 1 1 A 53 53 ASP CA C 53 54.092 54.904 -0.812 1
1 606 . 13 1 1 A 53 53 ASP CB C 53 43.596 41.553 2.043 1
1 607 . 13 1 1 A 53 53 ASP N N 53 117.757 117.729 0.028 1
1 608 . 13 1 1 A 54 54 GLN H H 54 6.922 7.951 -1.029 1
1 609 . 13 1 1 A 54 54 GLN HA H 54 3.985 3.954 0.031 1
1 616 . 13 1 1 A 54 54 GLN C C 54 177.417 178.707 -1.290 1
1 617 . 13 1 1 A 54 54 GLN CA C 54 60.084 58.921 1.163 1
1 618 . 13 1 1 A 54 54 GLN CB C 54 28.448 28.255 0.193 1
1 620 . 13 1 1 A 54 54 GLN N N 54 118.680 119.442 -0.762 1
1 622 . 13 1 1 A 55 55 GLN H H 55 8.663 7.983 0.680 1
1 623 . 13 1 1 A 55 55 GLN HA H 55 3.778 4.036 -0.258 1
1 630 . 13 1 1 A 55 55 GLN C C 55 177.398 178.059 -0.661 1
1 631 . 13 1 1 A 55 55 GLN CA C 55 58.812 58.590 0.222 1
1 632 . 13 1 1 A 55 55 GLN CB C 55 27.402 28.364 -0.962 1
1 634 . 13 1 1 A 55 55 GLN N N 55 119.173 119.950 -0.777 1
1 636 . 13 1 1 A 56 56 LEU H H 56 7.935 7.685 0.250 1
1 637 . 13 1 1 A 56 56 LEU HA H 56 4.071 4.083 -0.012 1
1 647 . 13 1 1 A 56 56 LEU C C 56 180.037 178.033 2.004 1
1 648 . 13 1 1 A 56 56 LEU CA C 56 57.698 57.378 0.320 1
1 649 . 13 1 1 A 56 56 LEU CB C 56 41.586 42.253 -0.667 1
1 653 . 13 1 1 A 56 56 LEU N N 56 119.661 120.604 -0.943 1
1 654 . 13 1 1 A 57 57 LEU H H 57 7.382 8.017 -0.635 1
1 655 . 13 1 1 A 57 57 LEU HA H 57 3.575 3.644 -0.069 1
1 665 . 13 1 1 A 57 57 LEU C C 57 178.470 178.211 0.259 1
1 666 . 13 1 1 A 57 57 LEU CA C 57 57.703 58.074 -0.371 1
1 667 . 13 1 1 A 57 57 LEU CB C 57 42.077 41.530 0.547 1
1 671 . 13 1 1 A 57 57 LEU N N 57 119.857 119.942 -0.085 1
1 672 . 13 1 1 A 58 58 ARG H H 58 8.118 8.546 -0.428 1
1 673 . 13 1 1 A 58 58 ARG HA H 58 3.338 3.853 -0.515 1
1 680 . 13 1 1 A 58 58 ARG C C 58 179.713 178.677 1.036 1
1 681 . 13 1 1 A 58 58 ARG CA C 58 60.120 59.578 0.542 1
1 682 . 13 1 1 A 58 58 ARG CB C 58 30.320 29.896 0.424 1
1 685 . 13 1 1 A 58 58 ARG N N 58 118.198 117.856 0.342 1
1 686 . 13 1 1 A 59 59 ASP H H 59 8.748 7.988 0.760 1
1 687 . 13 1 1 A 59 59 ASP HA H 59 4.336 4.270 0.066 1
1 690 . 13 1 1 A 59 59 ASP C C 59 179.130 177.659 1.471 1
1 691 . 13 1 1 A 59 59 ASP CA C 59 57.197 57.559 -0.362 1
1 692 . 13 1 1 A 59 59 ASP CB C 59 40.212 41.788 -1.576 1
1 693 . 13 1 1 A 59 59 ASP N N 59 119.165 119.840 -0.675 1
1 694 . 13 1 1 A 60 60 SER H H 60 7.552 7.911 -0.359 1
1 695 . 13 1 1 A 60 60 SER HA H 60 4.116 4.022 0.094 1
1 698 . 13 1 1 A 60 60 SER C C 60 175.883 177.578 -1.695 1
1 699 . 13 1 1 A 60 60 SER CA C 60 61.975 61.249 0.726 1
1 700 . 13 1 1 A 60 60 SER CB C 60 63.098 62.398 0.700 1
1 701 . 13 1 1 A 60 60 SER N N 60 117.761 113.964 3.797 1
1 702 . 13 1 1 A 61 61 PHE H H 61 7.063 7.467 -0.404 1
1 703 . 13 1 1 A 61 61 PHE HA H 61 4.614 4.372 0.242 1
1 711 . 13 1 1 A 61 61 PHE C C 61 177.561 178.394 -0.833 1
1 712 . 13 1 1 A 61 61 PHE CA C 61 56.777 61.865 -5.088 1
1 713 . 13 1 1 A 61 61 PHE CB C 61 36.564 38.336 -1.772 1
1 719 . 13 1 1 A 61 61 PHE N N 61 122.009 119.351 2.658 1
1 720 . 13 1 1 A 62 62 GLN H H 62 7.376 8.339 -0.963 1
1 721 . 13 1 1 A 62 62 GLN HA H 62 4.038 4.052 -0.014 1
1 726 . 13 1 1 A 62 62 GLN C C 62 179.093 178.660 0.433 1
1 727 . 13 1 1 A 62 62 GLN CA C 62 58.240 59.023 -0.783 1
1 728 . 13 1 1 A 62 62 GLN CB C 62 28.094 28.139 -0.045 1
1 730 . 13 1 1 A 62 62 GLN N N 62 114.929 118.707 -3.778 1
1 731 . 13 1 1 A 63 63 GLN H H 63 7.893 7.871 0.022 1
1 732 . 13 1 1 A 63 63 GLN HA H 63 4.083 4.202 -0.119 1
1 737 . 13 1 1 A 63 63 GLN C C 63 178.244 178.560 -0.316 1
1 738 . 13 1 1 A 63 63 GLN CA C 63 58.408 58.288 0.120 1
1 739 . 13 1 1 A 63 63 GLN CB C 63 28.755 28.700 0.055 1
1 741 . 13 1 1 A 63 63 GLN N N 63 117.434 120.051 -2.617 1
1 742 . 13 1 1 A 64 64 VAL H H 64 8.220 8.138 0.082 1
1 743 . 13 1 1 A 64 64 VAL HA H 64 3.663 4.053 -0.390 1
1 751 . 13 1 1 A 64 64 VAL C C 64 177.137 178.036 -0.899 1
1 752 . 13 1 1 A 64 64 VAL CA C 64 66.107 65.552 0.555 1
1 753 . 13 1 1 A 64 64 VAL CB C 64 31.475 31.650 -0.175 1
1 756 . 13 1 1 A 64 64 VAL N N 64 118.766 117.110 1.656 1
1 757 . 13 1 1 A 65 65 VAL H H 65 6.860 7.753 -0.893 1
1 758 . 13 1 1 A 65 65 VAL HA H 65 3.833 3.894 -0.061 1
1 766 . 13 1 1 A 65 65 VAL C C 65 177.624 177.846 -0.222 1
1 767 . 13 1 1 A 65 65 VAL CA C 65 64.200 64.850 -0.650 1
1 768 . 13 1 1 A 65 65 VAL CB C 65 31.730 31.695 0.035 1
1 771 . 13 1 1 A 65 65 VAL N N 65 112.590 122.261 -9.671 1
1 772 . 13 1 1 A 66 66 LYS H H 66 7.431 7.720 -0.289 1
1 773 . 13 1 1 A 66 66 LYS HA H 66 4.184 4.016 0.168 1
1 782 . 13 1 1 A 66 66 LYS C C 66 177.374 178.485 -1.111 1
1 783 . 13 1 1 A 66 66 LYS CA C 66 58.190 59.682 -1.492 1
1 784 . 13 1 1 A 66 66 LYS CB C 66 33.232 32.439 0.793 1
1 788 . 13 1 1 A 66 66 LYS N N 66 119.643 122.229 -2.586 1
1 789 . 13 1 1 A 67 67 LEU H H 67 7.859 8.190 -0.331 1
1 790 . 13 1 1 A 67 67 LEU HA H 67 4.552 4.296 0.256 1
1 800 . 13 1 1 A 67 67 LEU C C 67 175.532 175.918 -0.386 1
1 801 . 13 1 1 A 67 67 LEU CA C 67 53.108 55.500 -2.392 1
1 802 . 13 1 1 A 67 67 LEU CB C 67 40.979 41.671 -0.692 1
1 806 . 13 1 1 A 67 67 LEU N N 67 121.288 118.284 3.004 1
1 807 . 13 1 1 A 68 68 LYS H H 68 7.475 8.157 -0.682 1
1 808 . 13 1 1 A 68 68 LYS HA H 68 4.156 4.037 0.119 1
1 817 . 13 1 1 A 68 68 LYS C C 68 177.987 176.404 1.583 1
1 818 . 13 1 1 A 68 68 LYS CA C 68 58.388 57.272 1.116 1
1 819 . 13 1 1 A 68 68 LYS CB C 68 32.207 31.050 1.157 1
1 823 . 13 1 1 A 68 68 LYS N N 68 119.626 117.307 2.319 1
1 824 . 13 1 1 A 69 69 GLY H H 69 8.696 8.134 0.562 1
1 825 . 13 1 1 A 69 69 GLY HA2 H 69 4.294 4.052 0.242 1
1 826 . 13 1 1 A 69 69 GLY HA3 H 69 3.896 4.055 -0.159 1
1 827 . 13 1 1 A 69 69 GLY CA C 69 45.335 45.148 0.187 1
1 828 . 13 1 1 A 69 69 GLY N N 69 113.681 105.288 8.393 1
1 829 . 13 1 1 A 70 70 GLN H H 70 8.031 7.926 0.105 1
1 830 . 13 1 1 A 70 70 GLN HA H 70 4.508 4.271 0.237 1
1 835 . 13 1 1 A 70 70 GLN C C 70 174.684 175.619 -0.935 1
1 836 . 13 1 1 A 70 70 GLN CA C 70 55.347 56.400 -1.053 1
1 837 . 13 1 1 A 70 70 GLN CB C 70 30.111 29.350 0.761 1
1 839 . 13 1 1 A 70 70 GLN N N 70 119.949 121.822 -1.873 1
1 840 . 13 1 1 A 71 71 VAL H H 71 8.232 8.610 -0.378 1
1 841 . 13 1 1 A 71 71 VAL HA H 71 4.822 4.756 0.066 1
1 849 . 13 1 1 A 71 71 VAL C C 71 176.406 175.508 0.898 1
1 850 . 13 1 1 A 71 71 VAL CA C 71 61.198 62.388 -1.190 1
1 851 . 13 1 1 A 71 71 VAL CB C 71 32.964 32.332 0.632 1
1 854 . 13 1 1 A 71 71 VAL N N 71 121.816 126.399 -4.583 1
1 855 . 13 1 1 A 72 72 LEU H H 72 9.052 8.958 0.094 1
1 856 . 13 1 1 A 72 72 LEU HA H 72 4.827 5.238 -0.411 1
1 865 . 13 1 1 A 72 72 LEU C C 72 175.411 175.419 -0.008 1
1 866 . 13 1 1 A 72 72 LEU CA C 72 52.895 53.613 -0.718 1
1 867 . 13 1 1 A 72 72 LEU CB C 72 44.755 45.157 -0.402 1
1 870 . 13 1 1 A 72 72 LEU N N 72 130.331 127.893 2.438 1
1 871 . 13 1 1 A 73 73 SER H H 73 8.057 9.058 -1.001 1
1 872 . 13 1 1 A 73 73 SER HA H 73 5.211 5.727 -0.516 1
1 875 . 13 1 1 A 73 73 SER C C 73 174.562 173.046 1.516 1
1 876 . 13 1 1 A 73 73 SER CA C 73 56.591 56.734 -0.143 1
1 877 . 13 1 1 A 73 73 SER CB C 73 66.336 64.891 1.445 1
1 878 . 13 1 1 A 73 73 SER N N 73 113.040 118.851 -5.811 1
1 879 . 13 1 1 A 74 74 VAL H H 74 8.799 8.639 0.160 1
1 880 . 13 1 1 A 74 74 VAL HA H 74 4.705 4.966 -0.261 1
1 888 . 13 1 1 A 74 74 VAL C C 74 174.122 174.018 0.104 1
1 889 . 13 1 1 A 74 74 VAL CA C 74 59.403 59.529 -0.126 1
1 890 . 13 1 1 A 74 74 VAL CB C 74 35.474 35.780 -0.306 1
1 893 . 13 1 1 A 74 74 VAL N N 74 122.721 122.171 0.550 1
1 894 . 13 1 1 A 75 75 MET H H 75 8.195 8.799 -0.604 1
1 895 . 13 1 1 A 75 75 MET HA H 75 5.922 6.028 -0.106 1
1 903 . 13 1 1 A 75 75 MET C C 75 175.531 175.610 -0.079 1
1 904 . 13 1 1 A 75 75 MET CA C 75 54.021 54.049 -0.028 1
1 905 . 13 1 1 A 75 75 MET CB C 75 34.750 34.114 0.636 1
1 908 . 13 1 1 A 75 75 MET N N 75 120.057 123.694 -3.637 1
1 909 . 13 1 1 A 76 76 PHE H H 76 9.394 9.054 0.340 1
1 910 . 13 1 1 A 76 76 PHE HA H 76 5.004 5.151 -0.147 1
1 918 . 13 1 1 A 76 76 PHE C C 76 171.623 172.413 -0.790 1
1 919 . 13 1 1 A 76 76 PHE CA C 76 55.802 55.485 0.317 1
1 920 . 13 1 1 A 76 76 PHE CB C 76 42.072 41.958 0.114 1
1 926 . 13 1 1 A 76 76 PHE N N 76 120.244 119.970 0.274 1
1 927 . 13 1 1 A 77 77 ARG H H 77 8.783 8.239 0.544 1
1 928 . 13 1 1 A 77 77 ARG HA H 77 4.420 4.193 0.227 1
1 936 . 13 1 1 A 77 77 ARG C C 77 173.455 174.612 -1.157 1
1 937 . 13 1 1 A 77 77 ARG CA C 77 54.218 55.026 -0.808 1
1 938 . 13 1 1 A 77 77 ARG CB C 77 32.439 30.268 2.171 1
1 941 . 13 1 1 A 77 77 ARG N N 77 121.379 118.871 2.508 1
1 943 . 13 1 1 A 78 78 PHE H H 78 9.258 9.168 0.090 1
1 944 . 13 1 1 A 78 78 PHE HA H 78 5.438 5.130 0.308 1
1 952 . 13 1 1 A 78 78 PHE C C 78 175.873 174.445 1.428 1
1 953 . 13 1 1 A 78 78 PHE CA C 78 55.173 56.764 -1.591 1
1 954 . 13 1 1 A 78 78 PHE CB C 78 44.530 39.710 4.820 1
1 960 . 13 1 1 A 78 78 PHE N N 78 128.097 126.175 1.922 1
1 961 . 13 1 1 A 79 79 ARG H H 79 9.242 8.937 0.305 1
1 962 . 13 1 1 A 79 79 ARG HA H 79 4.201 4.631 -0.430 1
1 969 . 13 1 1 A 79 79 ARG C C 79 175.316 176.355 -1.039 1
1 970 . 13 1 1 A 79 79 ARG CA C 79 55.255 56.543 -1.288 1
1 971 . 13 1 1 A 79 79 ARG CB C 79 29.358 30.433 -1.075 1
1 974 . 13 1 1 A 79 79 ARG N N 79 129.898 130.461 -0.563 1
1 975 . 13 1 1 A 80 80 SER H H 80 9.253 8.712 0.541 1
1 976 . 13 1 1 A 80 80 SER HA H 80 4.772 5.102 -0.330 1
1 979 . 13 1 1 A 80 80 SER C C 80 174.983 175.826 -0.843 1
1 980 . 13 1 1 A 80 80 SER CA C 80 58.191 58.111 0.080 1
1 981 . 13 1 1 A 80 80 SER CB C 80 64.930 64.703 0.227 1
1 982 . 13 1 1 A 80 80 SER N N 80 128.002 123.711 4.291 1
1 983 . 13 1 1 A 81 81 LYS H H 81 8.065 8.821 -0.756 1
1 984 . 13 1 1 A 81 81 LYS HA H 81 3.675 3.557 0.118 1
1 993 . 13 1 1 A 81 81 LYS C C 81 177.417 177.313 0.104 1
1 994 . 13 1 1 A 81 81 LYS CA C 81 59.236 58.594 0.642 1
1 995 . 13 1 1 A 81 81 LYS CB C 81 31.641 31.969 -0.328 1
1 999 . 13 1 1 A 81 81 LYS N N 81 123.505 123.753 -0.248 1
1 1000 . 13 1 1 A 82 82 ASN H H 82 7.934 7.803 0.131 1
1 1001 . 13 1 1 A 82 82 ASN HA H 82 4.679 4.791 -0.112 1
1 1006 . 13 1 1 A 82 82 ASN C C 82 173.949 174.169 -0.220 1
1 1007 . 13 1 1 A 82 82 ASN CA C 82 52.764 52.808 -0.044 1
1 1008 . 13 1 1 A 82 82 ASN CB C 82 37.428 38.520 -1.092 1
1 1009 . 13 1 1 A 82 82 ASN N N 82 115.202 114.428 0.774 1
1 1011 . 13 1 1 A 83 83 GLN H H 83 8.099 8.147 -0.048 1
1 1012 . 13 1 1 A 83 83 GLN HA H 83 3.382 3.770 -0.388 1
1 1019 . 13 1 1 A 83 83 GLN C C 83 174.208 174.066 0.142 1
1 1020 . 13 1 1 A 83 83 GLN CA C 83 56.400 56.829 -0.429 1
1 1021 . 13 1 1 A 83 83 GLN CB C 83 25.003 26.121 -1.118 1
1 1023 . 13 1 1 A 83 83 GLN N N 83 112.357 115.860 -3.503 1
1 1025 . 13 1 1 A 84 84 GLU H H 84 7.385 7.600 -0.215 1
1 1026 . 13 1 1 A 84 84 GLU HA H 84 4.322 4.705 -0.383 1
1 1031 . 13 1 1 A 84 84 GLU CA C 84 54.720 54.735 -0.015 1
1 1032 . 13 1 1 A 84 84 GLU CB C 84 31.713 32.395 -0.682 1
1 1034 . 13 1 1 A 84 84 GLU N N 84 117.557 116.581 0.976 1
1 1035 . 13 1 1 A 85 85 TRP H H 85 8.645 8.673 -0.028 1
1 1036 . 13 1 1 A 85 85 TRP HA H 85 5.145 4.777 0.368 1
1 1045 . 13 1 1 A 85 85 TRP C C 85 175.772 175.683 0.089 1
1 1046 . 13 1 1 A 85 85 TRP CA C 85 55.591 56.737 -1.146 1
1 1047 . 13 1 1 A 85 85 TRP CB C 85 30.113 27.860 2.253 1
1 1053 . 13 1 1 A 85 85 TRP N N 85 121.388 123.486 -2.098 1
1 1055 . 13 1 1 A 86 86 LEU H H 86 9.348 8.502 0.846 1
1 1056 . 13 1 1 A 86 86 LEU HA H 86 4.847 4.633 0.214 1
1 1066 . 13 1 1 A 86 86 LEU C C 86 176.991 176.463 0.528 1
1 1067 . 13 1 1 A 86 86 LEU CA C 86 53.102 54.740 -1.638 1
1 1068 . 13 1 1 A 86 86 LEU CB C 86 44.527 41.381 3.146 1
1 1071 . 13 1 1 A 86 86 LEU N N 86 126.537 125.486 1.051 1
1 1072 . 13 1 1 A 87 87 TRP H H 87 8.870 8.935 -0.065 1
1 1073 . 13 1 1 A 87 87 TRP HA H 87 4.465 4.958 -0.493 1
1 1082 . 13 1 1 A 87 87 TRP C C 87 175.731 176.940 -1.209 1
1 1083 . 13 1 1 A 87 87 TRP CA C 87 59.207 58.243 0.964 1
1 1084 . 13 1 1 A 87 87 TRP CB C 87 29.736 30.395 -0.659 1
1 1090 . 13 1 1 A 87 87 TRP N N 87 123.902 126.882 -2.980 1
1 1092 . 13 1 1 A 88 88 MET H H 88 9.432 9.055 0.377 1
1 1093 . 13 1 1 A 88 88 MET HA H 88 5.267 5.464 -0.197 1
1 1101 . 13 1 1 A 88 88 MET C C 88 174.713 174.158 0.555 1
1 1102 . 13 1 1 A 88 88 MET CA C 88 52.557 54.323 -1.766 1
1 1103 . 13 1 1 A 88 88 MET CB C 88 36.139 37.385 -1.246 1
1 1106 . 13 1 1 A 88 88 MET N N 88 123.412 121.347 2.065 1
1 1107 . 13 1 1 A 89 89 ARG H H 89 9.282 8.982 0.300 1
1 1108 . 13 1 1 A 89 89 ARG HA H 89 5.702 5.207 0.495 1
1 1115 . 13 1 1 A 89 89 ARG C C 89 177.137 175.805 1.332 1
1 1116 . 13 1 1 A 89 89 ARG CA C 89 54.266 54.689 -0.423 1
1 1117 . 13 1 1 A 89 89 ARG CB C 89 34.404 32.293 2.111 1
1 1120 . 13 1 1 A 89 89 ARG N N 89 119.570 121.261 -1.691 1
1 1121 . 13 1 1 A 90 90 THR H H 90 9.298 9.067 0.231 1
1 1122 . 13 1 1 A 90 90 THR HA H 90 5.625 5.252 0.373 1
1 1127 . 13 1 1 A 90 90 THR C C 90 176.787 174.292 2.495 1
1 1128 . 13 1 1 A 90 90 THR CA C 90 60.327 60.488 -0.161 1
1 1129 . 13 1 1 A 90 90 THR CB C 90 72.187 70.394 1.793 1
1 1131 . 13 1 1 A 90 90 THR N N 90 115.133 117.636 -2.503 1
1 1132 . 13 1 1 A 91 91 SER H H 91 8.194 8.751 -0.557 1
1 1133 . 13 1 1 A 91 91 SER HA H 91 4.860 5.231 -0.371 1
1 1136 . 13 1 1 A 91 91 SER C C 91 175.171 173.298 1.873 1
1 1137 . 13 1 1 A 91 91 SER CA C 91 59.224 57.244 1.980 1
1 1138 . 13 1 1 A 91 91 SER CB C 91 64.094 63.709 0.385 1
1 1139 . 13 1 1 A 91 91 SER N N 91 114.043 121.359 -7.316 1
1 1140 . 13 1 1 A 92 92 SER H H 92 9.864 8.108 1.756 1
1 1141 . 13 1 1 A 92 92 SER HA H 92 6.204 5.110 1.094 1
1 1144 . 13 1 1 A 92 92 SER C C 92 171.748 174.155 -2.407 1
1 1145 . 13 1 1 A 92 92 SER CA C 92 58.818 59.749 -0.931 1
1 1146 . 13 1 1 A 92 92 SER CB C 92 66.419 63.983 2.436 1
1 1147 . 13 1 1 A 92 92 SER N N 92 125.442 121.780 3.662 1
1 1148 . 13 1 1 A 93 93 GLN H H 93 8.873 8.828 0.045 1
1 1149 . 13 1 1 A 93 93 GLN HA H 93 5.048 5.074 -0.026 1
1 1156 . 13 1 1 A 93 93 GLN C C 93 174.145 174.649 -0.504 1
1 1157 . 13 1 1 A 93 93 GLN CA C 93 54.262 54.413 -0.151 1
1 1158 . 13 1 1 A 93 93 GLN CB C 93 33.131 32.582 0.549 1
1 1160 . 13 1 1 A 93 93 GLN N N 93 117.328 122.312 -4.984 1
1 1162 . 13 1 1 A 94 94 THR H H 94 8.846 8.583 0.263 1
1 1163 . 13 1 1 A 94 94 THR HA H 94 3.979 4.475 -0.496 1
1 1168 . 13 1 1 A 94 94 THR C C 94 174.677 174.623 0.054 1
1 1169 . 13 1 1 A 94 94 THR CA C 94 64.467 62.618 1.849 1
1 1170 . 13 1 1 A 94 94 THR CB C 94 68.894 69.135 -0.241 1
1 1172 . 13 1 1 A 94 94 THR N N 94 116.526 113.071 3.455 1
1 1173 . 13 1 1 A 95 95 ALA H H 95 8.188 8.572 -0.384 1
1 1174 . 13 1 1 A 95 95 ALA HA H 95 4.161 4.347 -0.186 1
1 1178 . 13 1 1 A 95 95 ALA C C 95 176.285 177.841 -1.556 1
1 1179 . 13 1 1 A 95 95 ALA CA C 95 51.847 52.277 -0.430 1
1 1180 . 13 1 1 A 95 95 ALA CB C 95 18.999 20.173 -1.174 1
1 1181 . 13 1 1 A 95 95 ALA N N 95 126.311 128.200 -1.889 1
1 1182 . 13 1 1 A 96 96 GLN H H 96 8.324 8.654 -0.330 1
1 1183 . 13 1 1 A 96 96 GLN HA H 96 4.175 4.228 -0.053 1
1 1190 . 13 1 1 A 96 96 GLN C C 96 176.230 176.088 0.142 1
1 1191 . 13 1 1 A 96 96 GLN CA C 96 54.621 57.587 -2.966 1
1 1192 . 13 1 1 A 96 96 GLN CB C 96 30.003 28.698 1.305 1
1 1194 . 13 1 1 A 96 96 GLN N N 96 116.920 119.109 -2.189 1
1 1196 . 13 1 1 A 97 97 ASN H H 97 8.512 7.806 0.706 1
1 1197 . 13 1 1 A 97 97 ASN HA H 97 4.436 4.764 -0.328 1
1 1200 . 13 1 1 A 97 97 ASN CA C 97 52.928 51.024 1.904 1
1 1201 . 13 1 1 A 97 97 ASN CB C 97 37.851 40.933 -3.082 1
1 1202 . 13 1 1 A 97 97 ASN N N 97 119.656 112.090 7.566 1
1 1203 . 13 1 1 A 98 98 PRO HA H 98 4.566 4.339 0.227 1
1 1210 . 13 1 1 A 98 98 PRO C C 98 175.164 175.849 -0.685 1
1 1211 . 13 1 1 A 98 98 PRO CA C 98 63.824 63.625 0.199 1
1 1212 . 13 1 1 A 98 98 PRO CB C 98 32.473 32.307 0.166 1
1 1215 . 13 1 1 A 99 99 TYR H H 99 8.780 7.349 1.431 1
1 1216 . 13 1 1 A 99 99 TYR HA H 99 4.996 4.691 0.305 1
1 1223 . 13 1 1 A 99 99 TYR C C 99 176.421 176.242 0.179 1
1 1224 . 13 1 1 A 99 99 TYR CA C 99 55.837 57.561 -1.724 1
1 1225 . 13 1 1 A 99 99 TYR CB C 99 37.199 37.901 -0.702 1
1 1230 . 13 1 1 A 99 99 TYR N N 99 127.975 119.610 8.365 1
1 1231 . 13 1 1 A 100 100 SER H H 100 7.655 8.071 -0.416 1
1 1232 . 13 1 1 A 100 100 SER HA H 100 4.274 4.371 -0.097 1
1 1235 . 13 1 1 A 100 100 SER C C 100 174.144 176.145 -2.001 1
1 1236 . 13 1 1 A 100 100 SER CA C 100 60.567 61.334 -0.767 1
1 1237 . 13 1 1 A 100 100 SER CB C 100 63.266 62.970 0.296 1
1 1238 . 13 1 1 A 100 100 SER N N 100 113.164 117.416 -4.252 1
1 1239 . 13 1 1 A 101 101 ASP H H 101 8.736 8.173 0.563 1
1 1240 . 13 1 1 A 101 101 ASP HA H 101 4.688 4.587 0.101 1
1 1243 . 13 1 1 A 101 101 ASP C C 101 175.535 176.612 -1.077 1
1 1244 . 13 1 1 A 101 101 ASP CA C 101 54.103 56.243 -2.140 1
1 1245 . 13 1 1 A 101 101 ASP CB C 101 40.098 40.482 -0.384 1
1 1246 . 13 1 1 A 101 101 ASP N N 101 118.476 120.017 -1.541 1
1 1247 . 13 1 1 A 102 102 GLU H H 102 8.127 8.384 -0.257 1
1 1248 . 13 1 1 A 102 102 GLU HA H 102 4.448 4.738 -0.290 1
1 1253 . 13 1 1 A 102 102 GLU CA C 102 54.963 55.368 -0.405 1
1 1254 . 13 1 1 A 102 102 GLU CB C 102 31.769 31.621 0.148 1
1 1256 . 13 1 1 A 102 102 GLU N N 102 119.744 117.850 1.894 1
1 1257 . 13 1 1 A 103 103 ILE H H 103 8.645 8.622 0.023 1
1 1258 . 13 1 1 A 103 103 ILE HA H 103 4.001 4.701 -0.700 1
1 1268 . 13 1 1 A 103 103 ILE C C 103 174.065 174.573 -0.508 1
1 1269 . 13 1 1 A 103 103 ILE CA C 103 60.418 60.928 -0.510 1
1 1270 . 13 1 1 A 103 103 ILE CB C 103 40.781 40.654 0.127 1
1 1274 . 13 1 1 A 103 103 ILE N N 103 121.388 120.761 0.627 1
1 1275 . 13 1 1 A 104 104 GLU H H 104 8.957 9.099 -0.142 1
1 1276 . 13 1 1 A 104 104 GLU HA H 104 5.099 4.552 0.547 1
1 1281 . 13 1 1 A 104 104 GLU C C 104 175.093 175.254 -0.161 1
1 1282 . 13 1 1 A 104 104 GLU CA C 104 54.898 56.342 -1.444 1
1 1283 . 13 1 1 A 104 104 GLU CB C 104 32.330 30.108 2.222 1
1 1285 . 13 1 1 A 104 104 GLU N N 104 125.935 128.482 -2.547 1
1 1286 . 13 1 1 A 105 105 THR H H 105 8.774 8.973 -0.199 1
1 1287 . 13 1 1 A 105 105 THR HA H 105 5.226 4.982 0.244 1
1 1292 . 13 1 1 A 105 105 THR C C 105 174.876 173.717 1.159 1
1 1293 . 13 1 1 A 105 105 THR CA C 105 61.469 62.291 -0.822 1
1 1294 . 13 1 1 A 105 105 THR CB C 105 70.382 70.060 0.322 1
1 1296 . 13 1 1 A 105 105 THR N N 105 127.200 121.796 5.404 1
1 1297 . 13 1 1 A 106 106 ILE H H 106 9.186 8.970 0.216 1
1 1298 . 13 1 1 A 106 106 ILE HA H 106 4.486 4.607 -0.121 1
1 1308 . 13 1 1 A 106 106 ILE C C 106 175.412 175.149 0.263 1
1 1309 . 13 1 1 A 106 106 ILE CA C 106 61.423 60.453 0.970 1
1 1310 . 13 1 1 A 106 106 ILE CB C 106 38.432 37.740 0.692 1
1 1313 . 13 1 1 A 106 106 ILE N N 106 107.991 128.466 -20.475 1
1 1314 . 13 1 1 A 107 107 ILE H H 107 8.431 8.346 0.085 1
1 1315 . 13 1 1 A 107 107 ILE HA H 107 4.239 4.442 -0.203 1
1 1325 . 13 1 1 A 107 107 ILE C C 107 173.805 174.654 -0.849 1
1 1326 . 13 1 1 A 107 107 ILE CA C 107 61.459 60.743 0.716 1
1 1327 . 13 1 1 A 107 107 ILE CB C 107 37.499 36.826 0.673 1
1 1331 . 13 1 1 A 107 107 ILE N N 107 129.202 128.332 0.870 1
1 1332 . 13 1 1 A 108 108 CYS H H 108 8.581 9.081 -0.500 1
1 1333 . 13 1 1 A 108 108 CYS HA H 108 5.298 5.101 0.197 1
1 1336 . 13 1 1 A 108 108 CYS C C 108 174.235 174.008 0.227 1
1 1337 . 13 1 1 A 108 108 CYS CA C 108 55.861 56.858 -0.997 1
1 1338 . 13 1 1 A 108 108 CYS CB C 108 31.110 30.794 0.316 1
1 1339 . 13 1 1 A 108 108 CYS N N 108 124.561 127.945 -3.384 1
1 1340 . 13 1 1 A 109 109 THR H H 109 8.701 8.548 0.153 1
1 1341 . 13 1 1 A 109 109 THR HA H 109 4.733 4.442 0.291 1
1 1346 . 13 1 1 A 109 109 THR C C 109 174.927 174.117 0.810 1
1 1347 . 13 1 1 A 109 109 THR CA C 109 63.466 62.411 1.055 1
1 1348 . 13 1 1 A 109 109 THR CB C 109 69.636 69.723 -0.087 1
1 1350 . 13 1 1 A 109 109 THR N N 109 119.017 118.242 0.775 1
1 1351 . 13 1 1 A 110 110 ASN H H 110 8.527 8.826 -0.299 1
1 1352 . 13 1 1 A 110 110 ASN HA H 110 4.891 4.907 -0.016 1
1 1357 . 13 1 1 A 110 110 ASN C C 110 174.829 175.321 -0.492 1
1 1358 . 13 1 1 A 110 110 ASN CA C 110 53.104 54.020 -0.916 1
1 1359 . 13 1 1 A 110 110 ASN CB C 110 39.813 39.414 0.399 1
1 1360 . 13 1 1 A 110 110 ASN N N 110 122.861 121.242 1.619 1
1 1362 . 13 1 1 A 111 111 THR H H 111 8.159 8.172 -0.013 1
1 1363 . 13 1 1 A 111 111 THR HA H 111 4.407 4.054 0.353 1
1 1368 . 13 1 1 A 111 111 THR C C 111 174.189 173.774 0.415 1
1 1369 . 13 1 1 A 111 111 THR CA C 111 61.900 62.906 -1.006 1
1 1370 . 13 1 1 A 111 111 THR CB C 111 69.400 66.604 2.796 1
1 1372 . 13 1 1 A 111 111 THR N N 111 114.879 111.694 3.185 1
1 1373 . 13 1 1 A 112 112 ASN H H 112 8.359 7.546 0.813 1
1 1374 . 13 1 1 A 112 112 ASN N N 112 121.000 119.688 1.312 1
1 1375 . 13 1 1 A 117 117 SER C C 117 174.242 173.394 0.848 1
1 1376 . 13 1 1 A 117 117 SER CA C 117 58.557 58.723 -0.166 1
1 1377 . 13 1 1 A 117 117 SER CB C 117 63.729 64.744 -1.015 1
1 1378 . 13 1 1 A 118 118 GLN H H 118 8.304 7.858 0.446 1
1 1379 . 13 1 1 A 118 118 GLN C C 118 174.889 175.482 -0.593 1
1 1380 . 13 1 1 A 118 118 GLN CA C 118 55.764 54.488 1.276 1
1 1381 . 13 1 1 A 118 118 GLN CB C 118 29.659 31.384 -1.725 1
1 1382 . 13 1 1 A 118 118 GLN N N 118 122.171 116.743 5.428 1
1 1 . 14 1 1 A 2 2 ALA HA H 2 4.298 3.970 0.328 1
1 5 . 14 1 1 A 2 2 ALA CA C 2 53.448 52.943 0.505 1
1 6 . 14 1 1 A 2 2 ALA CB C 2 19.236 17.127 2.109 1
1 7 . 14 1 1 A 3 3 MET H H 3 8.518 7.426 1.092 1
1 12 . 14 1 1 A 3 3 MET N N 3 117.762 115.811 1.951 1
1 13 . 14 1 1 A 4 4 ASP CA C 4 54.632 53.103 1.529 1
1 14 . 14 1 1 A 4 4 ASP CB C 4 41.102 41.994 -0.892 1
1 15 . 14 1 1 A 5 5 ASN H H 5 8.332 8.452 -0.120 1
1 18 . 14 1 1 A 5 5 ASN CA C 5 53.361 54.072 -0.711 1
1 19 . 14 1 1 A 5 5 ASN CB C 5 38.775 38.700 0.075 1
1 20 . 14 1 1 A 5 5 ASN N N 5 118.200 120.293 -2.093 1
1 22 . 14 1 1 A 6 6 VAL H H 6 7.939 8.459 -0.520 1
1 23 . 14 1 1 A 6 6 VAL HA H 6 4.142 4.707 -0.565 1
1 31 . 14 1 1 A 6 6 VAL CA C 6 62.634 59.741 2.893 1
1 32 . 14 1 1 A 6 6 VAL CB C 6 32.598 34.661 -2.063 1
1 35 . 14 1 1 A 6 6 VAL N N 6 120.396 119.717 0.679 1
1 36 . 14 1 1 A 7 7 CYS H H 7 8.304 8.606 -0.302 1
1 37 . 14 1 1 A 7 7 CYS CA C 7 56.095 61.520 -5.425 1
1 38 . 14 1 1 A 7 7 CYS CB C 7 32.967 27.944 5.023 1
1 39 . 14 1 1 A 7 7 CYS N N 7 124.774 121.154 3.620 1
1 40 . 14 1 1 A 9 9 PRO HA H 9 4.547 4.725 -0.178 1
1 46 . 14 1 1 A 9 9 PRO C C 9 176.493 175.707 0.786 1
1 47 . 14 1 1 A 9 9 PRO CA C 9 63.142 62.393 0.749 1
1 48 . 14 1 1 A 9 9 PRO CB C 9 32.554 33.106 -0.552 1
1 51 . 14 1 1 A 10 10 THR H H 10 8.368 8.786 -0.418 1
1 52 . 14 1 1 A 10 10 THR HA H 10 4.418 4.897 -0.479 1
1 57 . 14 1 1 A 10 10 THR C C 10 172.743 173.663 -0.920 1
1 58 . 14 1 1 A 10 10 THR CA C 10 61.197 62.928 -1.731 1
1 59 . 14 1 1 A 10 10 THR CB C 10 69.660 71.451 -1.791 1
1 61 . 14 1 1 A 10 10 THR N N 10 112.513 113.726 -1.213 1
1 62 . 14 1 1 A 11 11 GLU H H 11 7.813 7.926 -0.113 1
1 63 . 14 1 1 A 11 11 GLU HA H 11 5.549 5.072 0.477 1
1 68 . 14 1 1 A 11 11 GLU C C 11 173.062 174.075 -1.013 1
1 69 . 14 1 1 A 11 11 GLU CA C 11 53.855 55.498 -1.643 1
1 70 . 14 1 1 A 11 11 GLU CB C 11 33.820 32.714 1.106 1
1 72 . 14 1 1 A 11 11 GLU N N 11 119.491 116.132 3.359 1
1 73 . 14 1 1 A 12 12 PHE H H 12 8.198 8.805 -0.607 1
1 74 . 14 1 1 A 12 12 PHE HA H 12 5.014 5.673 -0.659 1
1 82 . 14 1 1 A 12 12 PHE C C 12 171.976 173.586 -1.610 1
1 83 . 14 1 1 A 12 12 PHE CA C 12 55.597 55.326 0.271 1
1 84 . 14 1 1 A 12 12 PHE CB C 12 42.384 42.127 0.257 1
1 90 . 14 1 1 A 12 12 PHE N N 12 111.146 117.208 -6.062 1
1 91 . 14 1 1 A 13 13 ILE H H 13 8.655 8.902 -0.247 1
1 92 . 14 1 1 A 13 13 ILE HA H 13 4.165 4.421 -0.256 1
1 102 . 14 1 1 A 13 13 ILE C C 13 173.432 174.915 -1.483 1
1 103 . 14 1 1 A 13 13 ILE CA C 13 62.270 61.940 0.330 1
1 104 . 14 1 1 A 13 13 ILE CB C 13 39.957 36.735 3.222 1
1 108 . 14 1 1 A 13 13 ILE N N 13 121.427 124.655 -3.228 1
1 109 . 14 1 1 A 14 14 SER H H 14 8.034 8.953 -0.919 1
1 110 . 14 1 1 A 14 14 SER HA H 14 5.588 5.124 0.464 1
1 113 . 14 1 1 A 14 14 SER C C 14 173.429 173.570 -0.141 1
1 114 . 14 1 1 A 14 14 SER CA C 14 56.650 56.634 0.016 1
1 115 . 14 1 1 A 14 14 SER CB C 14 70.177 64.999 5.178 1
1 116 . 14 1 1 A 14 14 SER N N 14 121.358 123.155 -1.797 1
1 117 . 14 1 1 A 15 15 ARG H H 15 9.545 8.906 0.639 1
1 118 . 14 1 1 A 15 15 ARG HA H 15 5.826 4.838 0.988 1
1 126 . 14 1 1 A 15 15 ARG C C 15 176.042 175.532 0.510 1
1 127 . 14 1 1 A 15 15 ARG CA C 15 55.105 55.573 -0.468 1
1 128 . 14 1 1 A 15 15 ARG CB C 15 35.587 32.649 2.938 1
1 131 . 14 1 1 A 15 15 ARG N N 15 118.317 127.183 -8.866 1
1 133 . 14 1 1 A 16 16 HIS H H 16 8.730 8.249 0.481 1
1 134 . 14 1 1 A 16 16 HIS HA H 16 5.555 5.463 0.092 1
1 141 . 14 1 1 A 16 16 HIS C C 16 174.062 173.183 0.879 1
1 142 . 14 1 1 A 16 16 HIS CA C 16 54.057 54.696 -0.639 1
1 143 . 14 1 1 A 16 16 HIS CB C 16 31.334 31.226 0.108 1
1 146 . 14 1 1 A 16 16 HIS N N 16 117.425 116.828 0.597 1
1 148 . 14 1 1 A 17 17 ASN H H 17 8.201 8.773 -0.572 1
1 149 . 14 1 1 A 17 17 ASN HA H 17 4.897 5.056 -0.159 1
1 154 . 14 1 1 A 17 17 ASN C C 17 178.263 175.647 2.616 1
1 155 . 14 1 1 A 17 17 ASN CA C 17 51.104 51.749 -0.645 1
1 156 . 14 1 1 A 17 17 ASN CB C 17 38.469 39.012 -0.543 1
1 157 . 14 1 1 A 17 17 ASN N N 17 116.276 117.934 -1.658 1
1 159 . 14 1 1 A 18 18 ILE H H 18 8.774 8.785 -0.011 1
1 160 . 14 1 1 A 18 18 ILE HA H 18 3.795 3.912 -0.117 1
1 170 . 14 1 1 A 18 18 ILE C C 18 174.851 177.747 -2.896 1
1 171 . 14 1 1 A 18 18 ILE CA C 18 64.399 64.046 0.353 1
1 172 . 14 1 1 A 18 18 ILE CB C 18 38.072 37.859 0.213 1
1 176 . 14 1 1 A 18 18 ILE N N 18 120.001 120.215 -0.214 1
1 177 . 14 1 1 A 19 19 GLU H H 19 7.213 7.827 -0.614 1
1 178 . 14 1 1 A 19 19 GLU HA H 19 4.225 4.115 0.110 1
1 183 . 14 1 1 A 19 19 GLU CA C 19 57.145 56.813 0.332 1
1 184 . 14 1 1 A 19 19 GLU CB C 19 29.878 29.791 0.087 1
1 186 . 14 1 1 A 19 19 GLU N N 19 116.538 119.908 -3.370 1
1 187 . 14 1 1 A 20 20 GLY H H 20 7.845 7.862 -0.017 1
1 188 . 14 1 1 A 20 20 GLY HA2 H 20 4.878 2.777 2.101 1
1 189 . 14 1 1 A 20 20 GLY HA3 H 20 2.886 3.626 -0.740 1
1 190 . 14 1 1 A 20 20 GLY C C 20 172.992 174.070 -1.078 1
1 191 . 14 1 1 A 20 20 GLY CA C 20 44.049 44.289 -0.240 1
1 192 . 14 1 1 A 20 20 GLY N N 20 104.883 106.144 -1.261 1
1 193 . 14 1 1 A 21 21 ILE H H 21 7.841 7.563 0.278 1
1 194 . 14 1 1 A 21 21 ILE HA H 21 3.995 4.171 -0.176 1
1 204 . 14 1 1 A 21 21 ILE C C 21 176.915 175.456 1.459 1
1 205 . 14 1 1 A 21 21 ILE CA C 21 60.302 61.671 -1.369 1
1 206 . 14 1 1 A 21 21 ILE CB C 21 36.111 37.984 -1.873 1
1 210 . 14 1 1 A 21 21 ILE N N 21 120.855 122.755 -1.900 1
1 211 . 14 1 1 A 22 22 PHE H H 22 8.896 8.716 0.180 1
1 212 . 14 1 1 A 22 22 PHE HA H 22 5.052 5.050 0.002 1
1 220 . 14 1 1 A 22 22 PHE C C 22 177.971 176.246 1.725 1
1 221 . 14 1 1 A 22 22 PHE CA C 22 59.625 58.903 0.722 1
1 222 . 14 1 1 A 22 22 PHE CB C 22 39.984 38.909 1.075 1
1 228 . 14 1 1 A 22 22 PHE N N 22 125.849 128.560 -2.711 1
1 229 . 14 1 1 A 23 23 THR H H 23 9.771 8.755 1.016 1
1 230 . 14 1 1 A 23 23 THR HA H 23 4.403 4.468 -0.065 1
1 235 . 14 1 1 A 23 23 THR C C 23 175.589 174.474 1.115 1
1 236 . 14 1 1 A 23 23 THR CA C 23 61.611 62.394 -0.783 1
1 237 . 14 1 1 A 23 23 THR CB C 23 69.193 69.156 0.037 1
1 239 . 14 1 1 A 23 23 THR N N 23 117.677 115.552 2.125 1
1 240 . 14 1 1 A 24 24 PHE H H 24 7.948 7.402 0.546 1
1 241 . 14 1 1 A 24 24 PHE HA H 24 4.483 4.776 -0.293 1
1 249 . 14 1 1 A 24 24 PHE C C 24 173.376 173.267 0.109 1
1 250 . 14 1 1 A 24 24 PHE CA C 24 59.142 58.229 0.913 1
1 251 . 14 1 1 A 24 24 PHE CB C 24 42.161 42.472 -0.311 1
1 257 . 14 1 1 A 24 24 PHE N N 24 123.378 121.186 2.192 1
1 258 . 14 1 1 A 25 25 VAL H H 25 7.340 7.482 -0.142 1
1 259 . 14 1 1 A 25 25 VAL HA H 25 4.166 4.344 -0.178 1
1 267 . 14 1 1 A 25 25 VAL C C 25 173.103 173.456 -0.353 1
1 268 . 14 1 1 A 25 25 VAL CA C 25 61.539 60.403 1.136 1
1 269 . 14 1 1 A 25 25 VAL CB C 25 35.683 35.093 0.590 1
1 272 . 14 1 1 A 25 25 VAL N N 25 124.777 123.865 0.912 1
1 273 . 14 1 1 A 26 26 ASP H H 26 7.942 8.437 -0.495 1
1 274 . 14 1 1 A 26 26 ASP HA H 26 4.466 4.640 -0.174 1
1 277 . 14 1 1 A 26 26 ASP C C 26 175.258 177.287 -2.029 1
1 278 . 14 1 1 A 26 26 ASP CA C 26 53.318 54.385 -1.067 1
1 279 . 14 1 1 A 26 26 ASP CB C 26 42.461 42.568 -0.107 1
1 280 . 14 1 1 A 26 26 ASP N N 26 125.573 126.512 -0.939 1
1 281 . 14 1 1 A 27 27 HIS H H 27 8.115 8.883 -0.768 1
1 282 . 14 1 1 A 27 27 HIS HA H 27 4.222 4.107 0.115 1
1 286 . 14 1 1 A 27 27 HIS C C 27 177.268 176.501 0.767 1
1 287 . 14 1 1 A 27 27 HIS CA C 27 59.164 58.729 0.435 1
1 288 . 14 1 1 A 27 27 HIS CB C 27 30.374 29.223 1.151 1
1 290 . 14 1 1 A 27 27 HIS N N 27 117.576 123.539 -5.963 1
1 291 . 14 1 1 A 28 28 ARG H H 28 8.724 8.268 0.456 1
1 292 . 14 1 1 A 28 28 ARG HA H 28 4.210 3.662 0.548 1
1 300 . 14 1 1 A 28 28 ARG C C 28 177.838 179.018 -1.180 1
1 301 . 14 1 1 A 28 28 ARG CA C 28 58.199 59.370 -1.171 1
1 302 . 14 1 1 A 28 28 ARG CB C 28 29.815 29.608 0.207 1
1 305 . 14 1 1 A 28 28 ARG N N 28 122.414 120.670 1.744 1
1 307 . 14 1 1 A 29 29 CYS H H 29 8.102 8.207 -0.105 1
1 308 . 14 1 1 A 29 29 CYS HA H 29 3.124 3.173 -0.049 1
1 311 . 14 1 1 A 29 29 CYS C C 29 175.551 177.121 -1.570 1
1 312 . 14 1 1 A 29 29 CYS CA C 29 59.988 60.885 -0.897 1
1 313 . 14 1 1 A 29 29 CYS CB C 29 25.101 26.230 -1.129 1
1 314 . 14 1 1 A 29 29 CYS N N 29 119.987 117.471 2.516 1
1 315 . 14 1 1 A 30 30 VAL H H 30 7.139 7.068 0.071 1
1 316 . 14 1 1 A 30 30 VAL HA H 30 3.373 3.633 -0.260 1
1 324 . 14 1 1 A 30 30 VAL C C 30 178.225 178.001 0.224 1
1 325 . 14 1 1 A 30 30 VAL CA C 30 65.903 64.531 1.372 1
1 326 . 14 1 1 A 30 30 VAL CB C 30 31.446 31.518 -0.072 1
1 329 . 14 1 1 A 30 30 VAL N N 30 125.016 119.307 5.709 1
1 330 . 14 1 1 A 31 31 ALA H H 31 7.393 7.647 -0.254 1
1 331 . 14 1 1 A 31 31 ALA HA H 31 4.126 4.082 0.044 1
1 335 . 14 1 1 A 31 31 ALA C C 31 178.111 179.855 -1.744 1
1 336 . 14 1 1 A 31 31 ALA CA C 31 53.715 54.421 -0.706 1
1 337 . 14 1 1 A 31 31 ALA CB C 31 19.223 18.450 0.773 1
1 338 . 14 1 1 A 31 31 ALA N N 31 120.554 124.021 -3.467 1
1 339 . 14 1 1 A 32 32 THR H H 32 7.253 7.706 -0.453 1
1 340 . 14 1 1 A 32 32 THR HA H 32 4.116 4.058 0.058 1
1 345 . 14 1 1 A 32 32 THR C C 32 175.655 176.033 -0.378 1
1 346 . 14 1 1 A 32 32 THR CA C 32 64.727 65.745 -1.018 1
1 347 . 14 1 1 A 32 32 THR CB C 32 69.144 69.307 -0.163 1
1 349 . 14 1 1 A 32 32 THR N N 32 109.150 113.631 -4.481 1
1 350 . 14 1 1 A 33 33 VAL H H 33 7.939 7.719 0.220 1
1 351 . 14 1 1 A 33 33 VAL HA H 33 4.504 4.669 -0.165 1
1 359 . 14 1 1 A 33 33 VAL C C 33 175.594 176.265 -0.671 1
1 360 . 14 1 1 A 33 33 VAL CA C 33 60.596 60.493 0.103 1
1 361 . 14 1 1 A 33 33 VAL CB C 33 34.900 31.440 3.460 1
1 364 . 14 1 1 A 33 33 VAL N N 33 108.519 113.176 -4.657 1
1 365 . 14 1 1 A 34 34 GLY H H 34 7.439 7.786 -0.347 1
1 366 . 14 1 1 A 34 34 GLY HA2 H 34 4.099 3.680 0.419 1
1 367 . 14 1 1 A 34 34 GLY HA3 H 34 3.846 3.786 0.060 1
1 368 . 14 1 1 A 34 34 GLY C C 34 173.655 173.564 0.091 1
1 369 . 14 1 1 A 34 34 GLY CA C 34 46.538 45.352 1.186 1
1 370 . 14 1 1 A 34 34 GLY N N 34 109.672 110.210 -0.538 1
1 371 . 14 1 1 A 35 35 TYR H H 35 6.215 7.538 -1.323 1
1 372 . 14 1 1 A 35 35 TYR HA H 35 4.415 4.876 -0.461 1
1 379 . 14 1 1 A 35 35 TYR C C 35 174.492 175.303 -0.811 1
1 380 . 14 1 1 A 35 35 TYR CA C 35 57.289 59.033 -1.744 1
1 381 . 14 1 1 A 35 35 TYR CB C 35 40.784 38.016 2.768 1
1 386 . 14 1 1 A 35 35 TYR N N 35 117.067 119.983 -2.916 1
1 387 . 14 1 1 A 36 36 GLN H H 36 9.145 8.521 0.624 1
1 388 . 14 1 1 A 36 36 GLN HA H 36 4.285 4.228 0.057 1
1 393 . 14 1 1 A 36 36 GLN CA C 36 53.760 54.588 -0.828 1
1 394 . 14 1 1 A 36 36 GLN CB C 36 27.558 28.404 -0.846 1
1 396 . 14 1 1 A 36 36 GLN N N 36 117.664 123.945 -6.281 1
1 397 . 14 1 1 A 37 37 PRO HA H 37 3.755 4.074 -0.319 1
1 404 . 14 1 1 A 37 37 PRO C C 37 178.629 178.196 0.433 1
1 405 . 14 1 1 A 37 37 PRO CA C 37 66.415 65.673 0.742 1
1 406 . 14 1 1 A 37 37 PRO CB C 37 31.313 31.624 -0.311 1
1 409 . 14 1 1 A 38 38 GLN H H 38 8.870 8.857 0.013 1
1 410 . 14 1 1 A 38 38 GLN HA H 38 3.996 4.071 -0.075 1
1 415 . 14 1 1 A 38 38 GLN C C 38 177.121 177.291 -0.170 1
1 416 . 14 1 1 A 38 38 GLN CA C 38 58.468 58.675 -0.207 1
1 417 . 14 1 1 A 38 38 GLN CB C 38 27.259 27.683 -0.424 1
1 419 . 14 1 1 A 38 38 GLN N N 38 113.031 115.480 -2.449 1
1 420 . 14 1 1 A 39 39 GLU H H 39 7.799 7.990 -0.191 1
1 421 . 14 1 1 A 39 39 GLU HA H 39 4.203 4.241 -0.038 1
1 426 . 14 1 1 A 39 39 GLU C C 39 175.485 177.184 -1.699 1
1 427 . 14 1 1 A 39 39 GLU CA C 39 57.598 58.220 -0.622 1
1 428 . 14 1 1 A 39 39 GLU CB C 39 30.955 29.554 1.401 1
1 430 . 14 1 1 A 39 39 GLU N N 39 117.366 119.480 -2.114 1
1 431 . 14 1 1 A 40 40 LEU H H 40 7.001 7.439 -0.438 1
1 432 . 14 1 1 A 40 40 LEU HA H 40 4.205 4.514 -0.309 1
1 442 . 14 1 1 A 40 40 LEU C C 40 176.417 177.230 -0.813 1
1 443 . 14 1 1 A 40 40 LEU CA C 40 55.345 55.562 -0.217 1
1 444 . 14 1 1 A 40 40 LEU CB C 40 43.190 43.622 -0.432 1
1 448 . 14 1 1 A 40 40 LEU N N 40 116.615 118.687 -2.072 1
1 449 . 14 1 1 A 41 41 LEU H H 41 7.521 7.957 -0.436 1
1 450 . 14 1 1 A 41 41 LEU HA H 41 3.678 4.382 -0.704 1
1 460 . 14 1 1 A 41 41 LEU C C 41 177.754 177.955 -0.201 1
1 461 . 14 1 1 A 41 41 LEU CA C 41 57.050 57.236 -0.186 1
1 462 . 14 1 1 A 41 41 LEU CB C 41 42.155 41.593 0.562 1
1 466 . 14 1 1 A 41 41 LEU N N 41 117.814 121.224 -3.410 1
1 467 . 14 1 1 A 42 42 GLY H H 42 8.535 9.283 -0.748 1
1 468 . 14 1 1 A 42 42 GLY HA2 H 42 4.328 4.012 0.316 1
1 469 . 14 1 1 A 42 42 GLY HA3 H 42 3.601 4.012 -0.411 1
1 470 . 14 1 1 A 42 42 GLY C C 42 173.808 173.705 0.103 1
1 471 . 14 1 1 A 42 42 GLY CA C 42 45.689 45.386 0.303 1
1 472 . 14 1 1 A 42 42 GLY N N 42 110.496 111.882 -1.386 1
1 473 . 14 1 1 A 43 43 LYS H H 43 8.398 8.118 0.280 1
1 474 . 14 1 1 A 43 43 LYS HA H 43 4.680 4.632 0.048 1
1 483 . 14 1 1 A 43 43 LYS C C 43 173.943 175.347 -1.404 1
1 484 . 14 1 1 A 43 43 LYS CA C 43 54.361 54.505 -0.144 1
1 485 . 14 1 1 A 43 43 LYS CB C 43 33.960 34.330 -0.370 1
1 489 . 14 1 1 A 43 43 LYS N N 43 120.461 120.780 -0.319 1
1 490 . 14 1 1 A 44 44 ASN H H 44 8.892 8.134 0.758 1
1 491 . 14 1 1 A 44 44 ASN HA H 44 4.690 4.635 0.055 1
1 496 . 14 1 1 A 44 44 ASN C C 44 176.922 175.589 1.333 1
1 497 . 14 1 1 A 44 44 ASN CA C 44 52.256 53.105 -0.849 1
1 498 . 14 1 1 A 44 44 ASN CB C 44 40.451 39.419 1.032 1
1 499 . 14 1 1 A 44 44 ASN N N 44 119.869 121.682 -1.813 1
1 501 . 14 1 1 A 45 45 ILE H H 45 8.543 8.235 0.308 1
1 502 . 14 1 1 A 45 45 ILE HA H 45 3.887 3.652 0.235 1
1 511 . 14 1 1 A 45 45 ILE C C 45 176.137 177.033 -0.896 1
1 512 . 14 1 1 A 45 45 ILE CA C 45 65.116 64.127 0.989 1
1 513 . 14 1 1 A 45 45 ILE CB C 45 36.637 37.509 -0.872 1
1 517 . 14 1 1 A 45 45 ILE N N 45 129.131 127.297 1.834 1
1 518 . 14 1 1 A 46 46 VAL H H 46 9.059 7.316 1.743 1
1 519 . 14 1 1 A 46 46 VAL HA H 46 3.439 3.744 -0.305 1
1 527 . 14 1 1 A 46 46 VAL C C 46 178.407 178.205 0.202 1
1 528 . 14 1 1 A 46 46 VAL CA C 46 65.705 65.373 0.332 1
1 529 . 14 1 1 A 46 46 VAL CB C 46 31.022 31.177 -0.155 1
1 532 . 14 1 1 A 46 46 VAL N N 46 118.981 117.707 1.274 1
1 533 . 14 1 1 A 47 47 GLU H H 47 7.923 8.372 -0.449 1
1 534 . 14 1 1 A 47 47 GLU HA H 47 3.989 3.910 0.079 1
1 539 . 14 1 1 A 47 47 GLU C C 47 177.664 178.499 -0.835 1
1 540 . 14 1 1 A 47 47 GLU CA C 47 57.999 59.040 -1.041 1
1 541 . 14 1 1 A 47 47 GLU CB C 47 28.849 28.936 -0.087 1
1 543 . 14 1 1 A 47 47 GLU N N 47 117.733 121.541 -3.808 1
1 544 . 14 1 1 A 48 48 PHE H H 48 7.689 7.414 0.275 1
1 545 . 14 1 1 A 48 48 PHE HA H 48 4.177 4.229 -0.052 1
1 553 . 14 1 1 A 48 48 PHE C C 48 172.739 175.858 -3.119 1
1 554 . 14 1 1 A 48 48 PHE CA C 48 57.725 59.578 -1.853 1
1 555 . 14 1 1 A 48 48 PHE CB C 48 39.428 39.354 0.074 1
1 561 . 14 1 1 A 48 48 PHE N N 48 117.768 115.190 2.578 1
1 562 . 14 1 1 A 49 49 CYS H H 49 7.413 7.332 0.081 1
1 563 . 14 1 1 A 49 49 CYS HA H 49 5.671 5.059 0.612 1
1 566 . 14 1 1 A 49 49 CYS CA C 49 56.429 60.017 -3.588 1
1 567 . 14 1 1 A 49 49 CYS CB C 49 28.747 28.131 0.616 1
1 568 . 14 1 1 A 49 49 CYS N N 49 119.705 118.184 1.521 1
1 569 . 14 1 1 A 50 50 HIS H H 50 8.640 8.598 0.042 1
1 570 . 14 1 1 A 50 50 HIS HA H 50 3.655 4.036 -0.381 1
1 574 . 14 1 1 A 50 50 HIS CA C 50 56.934 54.817 2.117 1
1 575 . 14 1 1 A 50 50 HIS CB C 50 32.071 30.259 1.812 1
1 577 . 14 1 1 A 50 50 HIS N N 50 134.180 124.826 9.354 1
1 578 . 14 1 1 A 51 51 PRO HA H 51 4.044 4.164 -0.120 1
1 584 . 14 1 1 A 51 51 PRO C C 51 179.121 178.879 0.242 1
1 585 . 14 1 1 A 51 51 PRO CA C 51 65.989 66.075 -0.086 1
1 586 . 14 1 1 A 51 51 PRO CB C 51 32.605 31.662 0.943 1
1 589 . 14 1 1 A 52 52 GLU H H 52 10.986 8.659 2.327 1
1 590 . 14 1 1 A 52 52 GLU HA H 52 4.125 4.123 0.002 1
1 595 . 14 1 1 A 52 52 GLU C C 52 177.643 177.126 0.517 1
1 596 . 14 1 1 A 52 52 GLU CA C 52 58.522 58.952 -0.430 1
1 597 . 14 1 1 A 52 52 GLU CB C 52 29.347 28.888 0.459 1
1 599 . 14 1 1 A 52 52 GLU N N 52 119.351 117.732 1.619 1
1 600 . 14 1 1 A 53 53 ASP H H 53 8.203 8.102 0.101 1
1 601 . 14 1 1 A 53 53 ASP HA H 53 4.898 4.669 0.229 1
1 604 . 14 1 1 A 53 53 ASP C C 53 175.641 177.219 -1.578 1
1 605 . 14 1 1 A 53 53 ASP CA C 53 54.092 54.537 -0.445 1
1 606 . 14 1 1 A 53 53 ASP CB C 53 43.596 41.777 1.819 1
1 607 . 14 1 1 A 53 53 ASP N N 53 117.757 117.729 0.028 1
1 608 . 14 1 1 A 54 54 GLN H H 54 6.922 7.950 -1.028 1
1 609 . 14 1 1 A 54 54 GLN HA H 54 3.985 3.971 0.014 1
1 616 . 14 1 1 A 54 54 GLN C C 54 177.417 178.718 -1.301 1
1 617 . 14 1 1 A 54 54 GLN CA C 54 60.084 58.877 1.207 1
1 618 . 14 1 1 A 54 54 GLN CB C 54 28.448 28.248 0.200 1
1 620 . 14 1 1 A 54 54 GLN N N 54 118.680 119.352 -0.672 1
1 622 . 14 1 1 A 55 55 GLN H H 55 8.663 7.984 0.679 1
1 623 . 14 1 1 A 55 55 GLN HA H 55 3.778 4.049 -0.271 1
1 630 . 14 1 1 A 55 55 GLN C C 55 177.398 178.129 -0.731 1
1 631 . 14 1 1 A 55 55 GLN CA C 55 58.812 58.566 0.246 1
1 632 . 14 1 1 A 55 55 GLN CB C 55 27.402 28.549 -1.147 1
1 634 . 14 1 1 A 55 55 GLN N N 55 119.173 119.977 -0.804 1
1 636 . 14 1 1 A 56 56 LEU H H 56 7.935 7.678 0.257 1
1 637 . 14 1 1 A 56 56 LEU HA H 56 4.071 4.085 -0.014 1
1 647 . 14 1 1 A 56 56 LEU C C 56 180.037 178.036 2.001 1
1 648 . 14 1 1 A 56 56 LEU CA C 56 57.698 57.377 0.321 1
1 649 . 14 1 1 A 56 56 LEU CB C 56 41.586 42.257 -0.671 1
1 653 . 14 1 1 A 56 56 LEU N N 56 119.661 120.663 -1.002 1
1 654 . 14 1 1 A 57 57 LEU H H 57 7.382 7.937 -0.555 1
1 655 . 14 1 1 A 57 57 LEU HA H 57 3.575 3.645 -0.070 1
1 665 . 14 1 1 A 57 57 LEU C C 57 178.470 178.204 0.266 1
1 666 . 14 1 1 A 57 57 LEU CA C 57 57.703 58.082 -0.379 1
1 667 . 14 1 1 A 57 57 LEU CB C 57 42.077 41.545 0.532 1
1 671 . 14 1 1 A 57 57 LEU N N 57 119.857 119.972 -0.115 1
1 672 . 14 1 1 A 58 58 ARG H H 58 8.118 8.520 -0.402 1
1 673 . 14 1 1 A 58 58 ARG HA H 58 3.338 3.867 -0.529 1
1 680 . 14 1 1 A 58 58 ARG C C 58 179.713 178.678 1.035 1
1 681 . 14 1 1 A 58 58 ARG CA C 58 60.120 59.587 0.533 1
1 682 . 14 1 1 A 58 58 ARG CB C 58 30.320 29.903 0.417 1
1 685 . 14 1 1 A 58 58 ARG N N 58 118.198 117.852 0.346 1
1 686 . 14 1 1 A 59 59 ASP H H 59 8.748 7.976 0.772 1
1 687 . 14 1 1 A 59 59 ASP HA H 59 4.336 4.260 0.076 1
1 690 . 14 1 1 A 59 59 ASP C C 59 179.130 177.715 1.415 1
1 691 . 14 1 1 A 59 59 ASP CA C 59 57.197 57.550 -0.353 1
1 692 . 14 1 1 A 59 59 ASP CB C 59 40.212 41.824 -1.612 1
1 693 . 14 1 1 A 59 59 ASP N N 59 119.165 119.888 -0.723 1
1 694 . 14 1 1 A 60 60 SER H H 60 7.552 7.879 -0.327 1
1 695 . 14 1 1 A 60 60 SER HA H 60 4.116 4.022 0.094 1
1 698 . 14 1 1 A 60 60 SER C C 60 175.883 177.632 -1.749 1
1 699 . 14 1 1 A 60 60 SER CA C 60 61.975 61.320 0.655 1
1 700 . 14 1 1 A 60 60 SER CB C 60 63.098 62.492 0.606 1
1 701 . 14 1 1 A 60 60 SER N N 60 117.761 113.962 3.799 1
1 702 . 14 1 1 A 61 61 PHE H H 61 7.063 7.449 -0.386 1
1 703 . 14 1 1 A 61 61 PHE HA H 61 4.614 4.400 0.214 1
1 711 . 14 1 1 A 61 61 PHE C C 61 177.561 178.366 -0.805 1
1 712 . 14 1 1 A 61 61 PHE CA C 61 56.777 61.612 -4.835 1
1 713 . 14 1 1 A 61 61 PHE CB C 61 36.564 38.411 -1.847 1
1 719 . 14 1 1 A 61 61 PHE N N 61 122.009 119.496 2.513 1
1 720 . 14 1 1 A 62 62 GLN H H 62 7.376 8.364 -0.988 1
1 721 . 14 1 1 A 62 62 GLN HA H 62 4.038 4.007 0.031 1
1 726 . 14 1 1 A 62 62 GLN C C 62 179.093 178.804 0.289 1
1 727 . 14 1 1 A 62 62 GLN CA C 62 58.240 59.389 -1.149 1
1 728 . 14 1 1 A 62 62 GLN CB C 62 28.094 28.381 -0.287 1
1 730 . 14 1 1 A 62 62 GLN N N 62 114.929 118.219 -3.290 1
1 731 . 14 1 1 A 63 63 GLN H H 63 7.893 7.828 0.065 1
1 732 . 14 1 1 A 63 63 GLN HA H 63 4.083 4.216 -0.133 1
1 737 . 14 1 1 A 63 63 GLN C C 63 178.244 178.490 -0.246 1
1 738 . 14 1 1 A 63 63 GLN CA C 63 58.408 58.248 0.160 1
1 739 . 14 1 1 A 63 63 GLN CB C 63 28.755 28.537 0.218 1
1 741 . 14 1 1 A 63 63 GLN N N 63 117.434 120.137 -2.703 1
1 742 . 14 1 1 A 64 64 VAL H H 64 8.220 8.110 0.110 1
1 743 . 14 1 1 A 64 64 VAL HA H 64 3.663 4.133 -0.470 1
1 751 . 14 1 1 A 64 64 VAL C C 64 177.137 178.026 -0.889 1
1 752 . 14 1 1 A 64 64 VAL CA C 64 66.107 65.558 0.549 1
1 753 . 14 1 1 A 64 64 VAL CB C 64 31.475 31.604 -0.129 1
1 756 . 14 1 1 A 64 64 VAL N N 64 118.766 117.708 1.058 1
1 757 . 14 1 1 A 65 65 VAL H H 65 6.860 7.599 -0.739 1
1 758 . 14 1 1 A 65 65 VAL HA H 65 3.833 3.901 -0.068 1
1 766 . 14 1 1 A 65 65 VAL C C 65 177.624 178.002 -0.378 1
1 767 . 14 1 1 A 65 65 VAL CA C 65 64.200 64.802 -0.602 1
1 768 . 14 1 1 A 65 65 VAL CB C 65 31.730 31.722 0.008 1
1 771 . 14 1 1 A 65 65 VAL N N 65 112.590 122.718 -10.128 1
1 772 . 14 1 1 A 66 66 LYS H H 66 7.431 7.835 -0.404 1
1 773 . 14 1 1 A 66 66 LYS HA H 66 4.184 3.984 0.200 1
1 782 . 14 1 1 A 66 66 LYS C C 66 177.374 178.243 -0.869 1
1 783 . 14 1 1 A 66 66 LYS CA C 66 58.190 59.720 -1.530 1
1 784 . 14 1 1 A 66 66 LYS CB C 66 33.232 32.266 0.966 1
1 788 . 14 1 1 A 66 66 LYS N N 66 119.643 121.938 -2.295 1
1 789 . 14 1 1 A 67 67 LEU H H 67 7.859 8.182 -0.323 1
1 790 . 14 1 1 A 67 67 LEU HA H 67 4.552 4.315 0.237 1
1 800 . 14 1 1 A 67 67 LEU C C 67 175.532 176.034 -0.502 1
1 801 . 14 1 1 A 67 67 LEU CA C 67 53.108 55.270 -2.162 1
1 802 . 14 1 1 A 67 67 LEU CB C 67 40.979 41.751 -0.772 1
1 806 . 14 1 1 A 67 67 LEU N N 67 121.288 117.977 3.311 1
1 807 . 14 1 1 A 68 68 LYS H H 68 7.475 8.134 -0.659 1
1 808 . 14 1 1 A 68 68 LYS HA H 68 4.156 4.218 -0.062 1
1 817 . 14 1 1 A 68 68 LYS C C 68 177.987 175.741 2.246 1
1 818 . 14 1 1 A 68 68 LYS CA C 68 58.388 57.313 1.075 1
1 819 . 14 1 1 A 68 68 LYS CB C 68 32.207 31.675 0.532 1
1 823 . 14 1 1 A 68 68 LYS N N 68 119.626 118.500 1.126 1
1 824 . 14 1 1 A 69 69 GLY H H 69 8.696 8.223 0.473 1
1 825 . 14 1 1 A 69 69 GLY HA2 H 69 4.294 4.049 0.245 1
1 826 . 14 1 1 A 69 69 GLY HA3 H 69 3.896 4.053 -0.157 1
1 827 . 14 1 1 A 69 69 GLY CA C 69 45.335 45.148 0.187 1
1 828 . 14 1 1 A 69 69 GLY N N 69 113.681 110.729 2.952 1
1 829 . 14 1 1 A 70 70 GLN H H 70 8.031 7.950 0.081 1
1 830 . 14 1 1 A 70 70 GLN HA H 70 4.508 4.269 0.239 1
1 835 . 14 1 1 A 70 70 GLN C C 70 174.684 175.096 -0.412 1
1 836 . 14 1 1 A 70 70 GLN CA C 70 55.347 56.467 -1.120 1
1 837 . 14 1 1 A 70 70 GLN CB C 70 30.111 29.397 0.714 1
1 839 . 14 1 1 A 70 70 GLN N N 70 119.949 121.819 -1.870 1
1 840 . 14 1 1 A 71 71 VAL H H 71 8.232 8.412 -0.180 1
1 841 . 14 1 1 A 71 71 VAL HA H 71 4.822 4.671 0.151 1
1 849 . 14 1 1 A 71 71 VAL C C 71 176.406 174.856 1.550 1
1 850 . 14 1 1 A 71 71 VAL CA C 71 61.198 62.386 -1.188 1
1 851 . 14 1 1 A 71 71 VAL CB C 71 32.964 32.879 0.085 1
1 854 . 14 1 1 A 71 71 VAL N N 71 121.816 126.759 -4.943 1
1 855 . 14 1 1 A 72 72 LEU H H 72 9.052 9.331 -0.279 1
1 856 . 14 1 1 A 72 72 LEU HA H 72 4.827 5.254 -0.427 1
1 865 . 14 1 1 A 72 72 LEU C C 72 175.411 175.668 -0.257 1
1 866 . 14 1 1 A 72 72 LEU CA C 72 52.895 53.371 -0.476 1
1 867 . 14 1 1 A 72 72 LEU CB C 72 44.755 45.346 -0.591 1
1 870 . 14 1 1 A 72 72 LEU N N 72 130.331 129.615 0.716 1
1 871 . 14 1 1 A 73 73 SER H H 73 8.057 8.997 -0.940 1
1 872 . 14 1 1 A 73 73 SER HA H 73 5.211 5.781 -0.570 1
1 875 . 14 1 1 A 73 73 SER C C 73 174.562 173.019 1.543 1
1 876 . 14 1 1 A 73 73 SER CA C 73 56.591 56.709 -0.118 1
1 877 . 14 1 1 A 73 73 SER CB C 73 66.336 64.989 1.347 1
1 878 . 14 1 1 A 73 73 SER N N 73 113.040 118.738 -5.698 1
1 879 . 14 1 1 A 74 74 VAL H H 74 8.799 8.660 0.139 1
1 880 . 14 1 1 A 74 74 VAL HA H 74 4.705 4.974 -0.269 1
1 888 . 14 1 1 A 74 74 VAL C C 74 174.122 174.013 0.109 1
1 889 . 14 1 1 A 74 74 VAL CA C 74 59.403 59.528 -0.125 1
1 890 . 14 1 1 A 74 74 VAL CB C 74 35.474 35.876 -0.402 1
1 893 . 14 1 1 A 74 74 VAL N N 74 122.721 122.168 0.553 1
1 894 . 14 1 1 A 75 75 MET H H 75 8.195 8.801 -0.606 1
1 895 . 14 1 1 A 75 75 MET HA H 75 5.922 6.045 -0.123 1
1 903 . 14 1 1 A 75 75 MET C C 75 175.531 175.643 -0.112 1
1 904 . 14 1 1 A 75 75 MET CA C 75 54.021 53.998 0.023 1
1 905 . 14 1 1 A 75 75 MET CB C 75 34.750 34.119 0.631 1
1 908 . 14 1 1 A 75 75 MET N N 75 120.057 123.688 -3.631 1
1 909 . 14 1 1 A 76 76 PHE H H 76 9.394 9.099 0.295 1
1 910 . 14 1 1 A 76 76 PHE HA H 76 5.004 5.119 -0.115 1
1 918 . 14 1 1 A 76 76 PHE C C 76 171.623 172.236 -0.613 1
1 919 . 14 1 1 A 76 76 PHE CA C 76 55.802 55.472 0.330 1
1 920 . 14 1 1 A 76 76 PHE CB C 76 42.072 41.942 0.130 1
1 926 . 14 1 1 A 76 76 PHE N N 76 120.244 119.974 0.270 1
1 927 . 14 1 1 A 77 77 ARG H H 77 8.783 8.253 0.530 1
1 928 . 14 1 1 A 77 77 ARG HA H 77 4.420 4.182 0.238 1
1 936 . 14 1 1 A 77 77 ARG C C 77 173.455 174.536 -1.081 1
1 937 . 14 1 1 A 77 77 ARG CA C 77 54.218 54.969 -0.751 1
1 938 . 14 1 1 A 77 77 ARG CB C 77 32.439 30.261 2.178 1
1 941 . 14 1 1 A 77 77 ARG N N 77 121.379 118.846 2.533 1
1 943 . 14 1 1 A 78 78 PHE H H 78 9.258 9.229 0.029 1
1 944 . 14 1 1 A 78 78 PHE HA H 78 5.438 5.197 0.241 1
1 952 . 14 1 1 A 78 78 PHE C C 78 175.873 174.507 1.366 1
1 953 . 14 1 1 A 78 78 PHE CA C 78 55.173 56.846 -1.673 1
1 954 . 14 1 1 A 78 78 PHE CB C 78 44.530 39.947 4.583 1
1 960 . 14 1 1 A 78 78 PHE N N 78 128.097 126.399 1.698 1
1 961 . 14 1 1 A 79 79 ARG H H 79 9.242 8.891 0.351 1
1 962 . 14 1 1 A 79 79 ARG HA H 79 4.201 4.592 -0.391 1
1 969 . 14 1 1 A 79 79 ARG C C 79 175.316 176.356 -1.040 1
1 970 . 14 1 1 A 79 79 ARG CA C 79 55.255 56.598 -1.343 1
1 971 . 14 1 1 A 79 79 ARG CB C 79 29.358 30.397 -1.039 1
1 974 . 14 1 1 A 79 79 ARG N N 79 129.898 130.366 -0.468 1
1 975 . 14 1 1 A 80 80 SER H H 80 9.253 8.780 0.473 1
1 976 . 14 1 1 A 80 80 SER HA H 80 4.772 5.090 -0.318 1
1 979 . 14 1 1 A 80 80 SER C C 80 174.983 175.833 -0.850 1
1 980 . 14 1 1 A 80 80 SER CA C 80 58.191 58.116 0.075 1
1 981 . 14 1 1 A 80 80 SER CB C 80 64.930 64.677 0.253 1
1 982 . 14 1 1 A 80 80 SER N N 80 128.002 123.840 4.162 1
1 983 . 14 1 1 A 81 81 LYS H H 81 8.065 8.875 -0.810 1
1 984 . 14 1 1 A 81 81 LYS HA H 81 3.675 3.569 0.106 1
1 993 . 14 1 1 A 81 81 LYS C C 81 177.417 177.708 -0.291 1
1 994 . 14 1 1 A 81 81 LYS CA C 81 59.236 58.841 0.395 1
1 995 . 14 1 1 A 81 81 LYS CB C 81 31.641 31.907 -0.266 1
1 999 . 14 1 1 A 81 81 LYS N N 81 123.505 123.721 -0.216 1
1 1000 . 14 1 1 A 82 82 ASN H H 82 7.934 7.792 0.142 1
1 1001 . 14 1 1 A 82 82 ASN HA H 82 4.679 4.763 -0.084 1
1 1006 . 14 1 1 A 82 82 ASN C C 82 173.949 174.258 -0.309 1
1 1007 . 14 1 1 A 82 82 ASN CA C 82 52.764 52.777 -0.013 1
1 1008 . 14 1 1 A 82 82 ASN CB C 82 37.428 38.491 -1.063 1
1 1009 . 14 1 1 A 82 82 ASN N N 82 115.202 114.310 0.892 1
1 1011 . 14 1 1 A 83 83 GLN H H 83 8.099 8.174 -0.075 1
1 1012 . 14 1 1 A 83 83 GLN HA H 83 3.382 3.762 -0.380 1
1 1019 . 14 1 1 A 83 83 GLN C C 83 174.208 173.971 0.237 1
1 1020 . 14 1 1 A 83 83 GLN CA C 83 56.400 56.830 -0.430 1
1 1021 . 14 1 1 A 83 83 GLN CB C 83 25.003 26.235 -1.232 1
1 1023 . 14 1 1 A 83 83 GLN N N 83 112.357 115.678 -3.321 1
1 1025 . 14 1 1 A 84 84 GLU H H 84 7.385 7.607 -0.222 1
1 1026 . 14 1 1 A 84 84 GLU HA H 84 4.322 4.724 -0.402 1
1 1031 . 14 1 1 A 84 84 GLU CA C 84 54.720 54.843 -0.123 1
1 1032 . 14 1 1 A 84 84 GLU CB C 84 31.713 32.313 -0.600 1
1 1034 . 14 1 1 A 84 84 GLU N N 84 117.557 116.868 0.689 1
1 1035 . 14 1 1 A 85 85 TRP H H 85 8.645 8.775 -0.130 1
1 1036 . 14 1 1 A 85 85 TRP HA H 85 5.145 4.831 0.314 1
1 1045 . 14 1 1 A 85 85 TRP C C 85 175.772 175.743 0.029 1
1 1046 . 14 1 1 A 85 85 TRP CA C 85 55.591 57.115 -1.524 1
1 1047 . 14 1 1 A 85 85 TRP CB C 85 30.113 28.033 2.080 1
1 1053 . 14 1 1 A 85 85 TRP N N 85 121.388 123.629 -2.241 1
1 1055 . 14 1 1 A 86 86 LEU H H 86 9.348 8.788 0.560 1
1 1056 . 14 1 1 A 86 86 LEU HA H 86 4.847 4.808 0.039 1
1 1066 . 14 1 1 A 86 86 LEU C C 86 176.991 176.347 0.644 1
1 1067 . 14 1 1 A 86 86 LEU CA C 86 53.102 54.309 -1.207 1
1 1068 . 14 1 1 A 86 86 LEU CB C 86 44.527 41.504 3.023 1
1 1071 . 14 1 1 A 86 86 LEU N N 86 126.537 125.850 0.687 1
1 1072 . 14 1 1 A 87 87 TRP H H 87 8.870 8.901 -0.031 1
1 1073 . 14 1 1 A 87 87 TRP HA H 87 4.465 4.984 -0.519 1
1 1082 . 14 1 1 A 87 87 TRP C C 87 175.731 176.923 -1.192 1
1 1083 . 14 1 1 A 87 87 TRP CA C 87 59.207 58.427 0.780 1
1 1084 . 14 1 1 A 87 87 TRP CB C 87 29.736 30.413 -0.677 1
1 1090 . 14 1 1 A 87 87 TRP N N 87 123.902 126.785 -2.883 1
1 1092 . 14 1 1 A 88 88 MET H H 88 9.432 9.121 0.311 1
1 1093 . 14 1 1 A 88 88 MET HA H 88 5.267 5.556 -0.289 1
1 1101 . 14 1 1 A 88 88 MET C C 88 174.713 174.150 0.563 1
1 1102 . 14 1 1 A 88 88 MET CA C 88 52.557 54.325 -1.768 1
1 1103 . 14 1 1 A 88 88 MET CB C 88 36.139 37.386 -1.247 1
1 1106 . 14 1 1 A 88 88 MET N N 88 123.412 121.317 2.095 1
1 1107 . 14 1 1 A 89 89 ARG H H 89 9.282 9.039 0.243 1
1 1108 . 14 1 1 A 89 89 ARG HA H 89 5.702 5.227 0.475 1
1 1115 . 14 1 1 A 89 89 ARG C C 89 177.137 175.716 1.421 1
1 1116 . 14 1 1 A 89 89 ARG CA C 89 54.266 54.838 -0.572 1
1 1117 . 14 1 1 A 89 89 ARG CB C 89 34.404 32.269 2.135 1
1 1120 . 14 1 1 A 89 89 ARG N N 89 119.570 121.238 -1.668 1
1 1121 . 14 1 1 A 90 90 THR H H 90 9.298 9.147 0.151 1
1 1122 . 14 1 1 A 90 90 THR HA H 90 5.625 5.262 0.363 1
1 1127 . 14 1 1 A 90 90 THR C C 90 176.787 174.447 2.340 1
1 1128 . 14 1 1 A 90 90 THR CA C 90 60.327 60.472 -0.145 1
1 1129 . 14 1 1 A 90 90 THR CB C 90 72.187 70.398 1.789 1
1 1131 . 14 1 1 A 90 90 THR N N 90 115.133 117.633 -2.500 1
1 1132 . 14 1 1 A 91 91 SER H H 91 8.194 8.743 -0.549 1
1 1133 . 14 1 1 A 91 91 SER HA H 91 4.860 5.169 -0.309 1
1 1136 . 14 1 1 A 91 91 SER C C 91 175.171 173.310 1.861 1
1 1137 . 14 1 1 A 91 91 SER CA C 91 59.224 57.239 1.985 1
1 1138 . 14 1 1 A 91 91 SER CB C 91 64.094 63.695 0.399 1
1 1139 . 14 1 1 A 91 91 SER N N 91 114.043 121.059 -7.016 1
1 1140 . 14 1 1 A 92 92 SER H H 92 9.864 8.078 1.786 1
1 1141 . 14 1 1 A 92 92 SER HA H 92 6.204 5.073 1.131 1
1 1144 . 14 1 1 A 92 92 SER C C 92 171.748 174.057 -2.309 1
1 1145 . 14 1 1 A 92 92 SER CA C 92 58.818 59.440 -0.622 1
1 1146 . 14 1 1 A 92 92 SER CB C 92 66.419 64.087 2.332 1
1 1147 . 14 1 1 A 92 92 SER N N 92 125.442 121.639 3.803 1
1 1148 . 14 1 1 A 93 93 GLN H H 93 8.873 8.723 0.150 1
1 1149 . 14 1 1 A 93 93 GLN HA H 93 5.048 4.957 0.091 1
1 1156 . 14 1 1 A 93 93 GLN C C 93 174.145 174.524 -0.379 1
1 1157 . 14 1 1 A 93 93 GLN CA C 93 54.262 54.648 -0.386 1
1 1158 . 14 1 1 A 93 93 GLN CB C 93 33.131 32.407 0.724 1
1 1160 . 14 1 1 A 93 93 GLN N N 93 117.328 122.195 -4.867 1
1 1162 . 14 1 1 A 94 94 THR H H 94 8.846 8.583 0.263 1
1 1163 . 14 1 1 A 94 94 THR HA H 94 3.979 4.568 -0.589 1
1 1168 . 14 1 1 A 94 94 THR C C 94 174.677 174.559 0.118 1
1 1169 . 14 1 1 A 94 94 THR CA C 94 64.467 62.615 1.852 1
1 1170 . 14 1 1 A 94 94 THR CB C 94 68.894 69.134 -0.240 1
1 1172 . 14 1 1 A 94 94 THR N N 94 116.526 112.939 3.587 1
1 1173 . 14 1 1 A 95 95 ALA H H 95 8.188 8.397 -0.209 1
1 1174 . 14 1 1 A 95 95 ALA HA H 95 4.161 4.304 -0.143 1
1 1178 . 14 1 1 A 95 95 ALA C C 95 176.285 177.574 -1.289 1
1 1179 . 14 1 1 A 95 95 ALA CA C 95 51.847 52.339 -0.492 1
1 1180 . 14 1 1 A 95 95 ALA CB C 95 18.999 20.023 -1.024 1
1 1181 . 14 1 1 A 95 95 ALA N N 95 126.311 128.226 -1.915 1
1 1182 . 14 1 1 A 96 96 GLN H H 96 8.324 8.726 -0.402 1
1 1183 . 14 1 1 A 96 96 GLN HA H 96 4.175 4.451 -0.276 1
1 1190 . 14 1 1 A 96 96 GLN C C 96 176.230 175.380 0.850 1
1 1191 . 14 1 1 A 96 96 GLN CA C 96 54.621 55.392 -0.771 1
1 1192 . 14 1 1 A 96 96 GLN CB C 96 30.003 28.500 1.503 1
1 1194 . 14 1 1 A 96 96 GLN N N 96 116.920 118.187 -1.267 1
1 1196 . 14 1 1 A 97 97 ASN H H 97 8.512 8.068 0.444 1
1 1197 . 14 1 1 A 97 97 ASN HA H 97 4.436 4.648 -0.212 1
1 1200 . 14 1 1 A 97 97 ASN CA C 97 52.928 53.683 -0.755 1
1 1201 . 14 1 1 A 97 97 ASN CB C 97 37.851 37.565 0.286 1
1 1202 . 14 1 1 A 97 97 ASN N N 97 119.656 116.601 3.055 1
1 1203 . 14 1 1 A 98 98 PRO HA H 98 4.566 4.363 0.203 1
1 1210 . 14 1 1 A 98 98 PRO C C 98 175.164 176.100 -0.936 1
1 1211 . 14 1 1 A 98 98 PRO CA C 98 63.824 63.786 0.038 1
1 1212 . 14 1 1 A 98 98 PRO CB C 98 32.473 32.431 0.042 1
1 1215 . 14 1 1 A 99 99 TYR H H 99 8.780 7.216 1.564 1
1 1216 . 14 1 1 A 99 99 TYR HA H 99 4.996 4.690 0.306 1
1 1223 . 14 1 1 A 99 99 TYR C C 99 176.421 176.311 0.110 1
1 1224 . 14 1 1 A 99 99 TYR CA C 99 55.837 57.736 -1.899 1
1 1225 . 14 1 1 A 99 99 TYR CB C 99 37.199 37.622 -0.423 1
1 1230 . 14 1 1 A 99 99 TYR N N 99 127.975 118.533 9.442 1
1 1231 . 14 1 1 A 100 100 SER H H 100 7.655 8.036 -0.381 1
1 1232 . 14 1 1 A 100 100 SER HA H 100 4.274 4.173 0.101 1
1 1235 . 14 1 1 A 100 100 SER C C 100 174.144 176.833 -2.689 1
1 1236 . 14 1 1 A 100 100 SER CA C 100 60.567 61.343 -0.776 1
1 1237 . 14 1 1 A 100 100 SER CB C 100 63.266 62.978 0.288 1
1 1238 . 14 1 1 A 100 100 SER N N 100 113.164 117.581 -4.417 1
1 1239 . 14 1 1 A 101 101 ASP H H 101 8.736 8.114 0.622 1
1 1240 . 14 1 1 A 101 101 ASP HA H 101 4.688 4.510 0.178 1
1 1243 . 14 1 1 A 101 101 ASP C C 101 175.535 176.434 -0.899 1
1 1244 . 14 1 1 A 101 101 ASP CA C 101 54.103 55.993 -1.890 1
1 1245 . 14 1 1 A 101 101 ASP CB C 101 40.098 40.908 -0.810 1
1 1246 . 14 1 1 A 101 101 ASP N N 101 118.476 120.832 -2.356 1
1 1247 . 14 1 1 A 102 102 GLU H H 102 8.127 8.435 -0.308 1
1 1248 . 14 1 1 A 102 102 GLU HA H 102 4.448 4.712 -0.264 1
1 1253 . 14 1 1 A 102 102 GLU CA C 102 54.963 55.465 -0.502 1
1 1254 . 14 1 1 A 102 102 GLU CB C 102 31.769 31.536 0.233 1
1 1256 . 14 1 1 A 102 102 GLU N N 102 119.744 118.213 1.531 1
1 1257 . 14 1 1 A 103 103 ILE H H 103 8.645 8.597 0.048 1
1 1258 . 14 1 1 A 103 103 ILE HA H 103 4.001 4.668 -0.667 1
1 1268 . 14 1 1 A 103 103 ILE C C 103 174.065 174.590 -0.525 1
1 1269 . 14 1 1 A 103 103 ILE CA C 103 60.418 60.880 -0.462 1
1 1270 . 14 1 1 A 103 103 ILE CB C 103 40.781 40.822 -0.041 1
1 1274 . 14 1 1 A 103 103 ILE N N 103 121.388 120.759 0.629 1
1 1275 . 14 1 1 A 104 104 GLU H H 104 8.957 9.099 -0.142 1
1 1276 . 14 1 1 A 104 104 GLU HA H 104 5.099 4.562 0.537 1
1 1281 . 14 1 1 A 104 104 GLU C C 104 175.093 175.263 -0.170 1
1 1282 . 14 1 1 A 104 104 GLU CA C 104 54.898 56.228 -1.330 1
1 1283 . 14 1 1 A 104 104 GLU CB C 104 32.330 30.096 2.234 1
1 1285 . 14 1 1 A 104 104 GLU N N 104 125.935 128.481 -2.546 1
1 1286 . 14 1 1 A 105 105 THR H H 105 8.774 8.863 -0.089 1
1 1287 . 14 1 1 A 105 105 THR HA H 105 5.226 4.918 0.308 1
1 1292 . 14 1 1 A 105 105 THR C C 105 174.876 173.705 1.171 1
1 1293 . 14 1 1 A 105 105 THR CA C 105 61.469 62.213 -0.744 1
1 1294 . 14 1 1 A 105 105 THR CB C 105 70.382 69.996 0.386 1
1 1296 . 14 1 1 A 105 105 THR N N 105 127.200 121.192 6.008 1
1 1297 . 14 1 1 A 106 106 ILE H H 106 9.186 8.930 0.256 1
1 1298 . 14 1 1 A 106 106 ILE HA H 106 4.486 4.592 -0.106 1
1 1308 . 14 1 1 A 106 106 ILE C C 106 175.412 175.241 0.171 1
1 1309 . 14 1 1 A 106 106 ILE CA C 106 61.423 60.570 0.853 1
1 1310 . 14 1 1 A 106 106 ILE CB C 106 38.432 37.480 0.952 1
1 1313 . 14 1 1 A 106 106 ILE N N 106 107.991 128.273 -20.282 1
1 1314 . 14 1 1 A 107 107 ILE H H 107 8.431 8.207 0.224 1
1 1315 . 14 1 1 A 107 107 ILE HA H 107 4.239 4.419 -0.180 1
1 1325 . 14 1 1 A 107 107 ILE C C 107 173.805 174.659 -0.854 1
1 1326 . 14 1 1 A 107 107 ILE CA C 107 61.459 60.755 0.704 1
1 1327 . 14 1 1 A 107 107 ILE CB C 107 37.499 36.992 0.507 1
1 1331 . 14 1 1 A 107 107 ILE N N 107 129.202 128.428 0.774 1
1 1332 . 14 1 1 A 108 108 CYS H H 108 8.581 9.225 -0.644 1
1 1333 . 14 1 1 A 108 108 CYS HA H 108 5.298 5.097 0.201 1
1 1336 . 14 1 1 A 108 108 CYS C C 108 174.235 173.970 0.265 1
1 1337 . 14 1 1 A 108 108 CYS CA C 108 55.861 56.981 -1.120 1
1 1338 . 14 1 1 A 108 108 CYS CB C 108 31.110 30.458 0.652 1
1 1339 . 14 1 1 A 108 108 CYS N N 108 124.561 128.252 -3.691 1
1 1340 . 14 1 1 A 109 109 THR H H 109 8.701 8.866 -0.165 1
1 1341 . 14 1 1 A 109 109 THR HA H 109 4.733 4.465 0.268 1
1 1346 . 14 1 1 A 109 109 THR C C 109 174.927 173.979 0.948 1
1 1347 . 14 1 1 A 109 109 THR CA C 109 63.466 62.246 1.220 1
1 1348 . 14 1 1 A 109 109 THR CB C 109 69.636 69.678 -0.042 1
1 1350 . 14 1 1 A 109 109 THR N N 109 119.017 117.612 1.405 1
1 1351 . 14 1 1 A 110 110 ASN H H 110 8.527 8.902 -0.375 1
1 1352 . 14 1 1 A 110 110 ASN HA H 110 4.891 4.886 0.005 1
1 1357 . 14 1 1 A 110 110 ASN C C 110 174.829 174.669 0.160 1
1 1358 . 14 1 1 A 110 110 ASN CA C 110 53.104 54.536 -1.432 1
1 1359 . 14 1 1 A 110 110 ASN CB C 110 39.813 39.682 0.131 1
1 1360 . 14 1 1 A 110 110 ASN N N 110 122.861 122.836 0.025 1
1 1362 . 14 1 1 A 111 111 THR H H 111 8.159 8.075 0.084 1
1 1363 . 14 1 1 A 111 111 THR HA H 111 4.407 4.376 0.031 1
1 1368 . 14 1 1 A 111 111 THR C C 111 174.189 174.098 0.091 1
1 1369 . 14 1 1 A 111 111 THR CA C 111 61.900 62.541 -0.641 1
1 1370 . 14 1 1 A 111 111 THR CB C 111 69.400 68.901 0.499 1
1 1372 . 14 1 1 A 111 111 THR N N 111 114.879 112.446 2.433 1
1 1373 . 14 1 1 A 112 112 ASN H H 112 8.359 8.636 -0.277 1
1 1374 . 14 1 1 A 112 112 ASN N N 112 121.000 117.247 3.753 1
1 1375 . 14 1 1 A 117 117 SER C C 117 174.242 174.037 0.205 1
1 1376 . 14 1 1 A 117 117 SER CA C 117 58.557 60.425 -1.868 1
1 1377 . 14 1 1 A 117 117 SER CB C 117 63.729 63.145 0.584 1
1 1378 . 14 1 1 A 118 118 GLN H H 118 8.304 7.802 0.502 1
1 1379 . 14 1 1 A 118 118 GLN C C 118 174.889 174.126 0.763 1
1 1380 . 14 1 1 A 118 118 GLN CA C 118 55.764 56.076 -0.312 1
1 1381 . 14 1 1 A 118 118 GLN CB C 118 29.659 28.734 0.925 1
1 1382 . 14 1 1 A 118 118 GLN N N 118 122.171 120.600 1.571 1
1 1 . 15 1 1 A 2 2 ALA HA H 2 4.298 3.875 0.423 1
1 5 . 15 1 1 A 2 2 ALA CA C 2 53.448 52.874 0.574 1
1 6 . 15 1 1 A 2 2 ALA CB C 2 19.236 17.282 1.954 1
1 7 . 15 1 1 A 3 3 MET H H 3 8.518 7.894 0.624 1
1 12 . 15 1 1 A 3 3 MET N N 3 117.762 115.121 2.641 1
1 13 . 15 1 1 A 4 4 ASP CA C 4 54.632 54.243 0.389 1
1 14 . 15 1 1 A 4 4 ASP CB C 4 41.102 42.131 -1.029 1
1 15 . 15 1 1 A 5 5 ASN H H 5 8.332 8.261 0.071 1
1 18 . 15 1 1 A 5 5 ASN CA C 5 53.361 55.565 -2.204 1
1 19 . 15 1 1 A 5 5 ASN CB C 5 38.775 38.287 0.488 1
1 20 . 15 1 1 A 5 5 ASN N N 5 118.200 116.277 1.923 1
1 22 . 15 1 1 A 6 6 VAL H H 6 7.939 7.853 0.086 1
1 23 . 15 1 1 A 6 6 VAL HA H 6 4.142 4.482 -0.340 1
1 31 . 15 1 1 A 6 6 VAL CA C 6 62.634 58.777 3.857 1
1 32 . 15 1 1 A 6 6 VAL CB C 6 32.598 34.950 -2.352 1
1 35 . 15 1 1 A 6 6 VAL N N 6 120.396 113.075 7.321 1
1 36 . 15 1 1 A 7 7 CYS H H 7 8.304 8.764 -0.460 1
1 37 . 15 1 1 A 7 7 CYS CA C 7 56.095 61.167 -5.072 1
1 38 . 15 1 1 A 7 7 CYS CB C 7 32.967 27.880 5.087 1
1 39 . 15 1 1 A 7 7 CYS N N 7 124.774 120.975 3.799 1
1 40 . 15 1 1 A 9 9 PRO HA H 9 4.547 4.754 -0.207 1
1 46 . 15 1 1 A 9 9 PRO C C 9 176.493 175.727 0.766 1
1 47 . 15 1 1 A 9 9 PRO CA C 9 63.142 62.313 0.829 1
1 48 . 15 1 1 A 9 9 PRO CB C 9 32.554 33.145 -0.591 1
1 51 . 15 1 1 A 10 10 THR H H 10 8.368 8.753 -0.385 1
1 52 . 15 1 1 A 10 10 THR HA H 10 4.418 4.438 -0.020 1
1 57 . 15 1 1 A 10 10 THR C C 10 172.743 173.585 -0.842 1
1 58 . 15 1 1 A 10 10 THR CA C 10 61.197 62.940 -1.743 1
1 59 . 15 1 1 A 10 10 THR CB C 10 69.660 71.371 -1.711 1
1 61 . 15 1 1 A 10 10 THR N N 10 112.513 113.455 -0.942 1
1 62 . 15 1 1 A 11 11 GLU H H 11 7.813 7.943 -0.130 1
1 63 . 15 1 1 A 11 11 GLU HA H 11 5.549 5.107 0.442 1
1 68 . 15 1 1 A 11 11 GLU C C 11 173.062 174.097 -1.035 1
1 69 . 15 1 1 A 11 11 GLU CA C 11 53.855 55.568 -1.713 1
1 70 . 15 1 1 A 11 11 GLU CB C 11 33.820 32.800 1.020 1
1 72 . 15 1 1 A 11 11 GLU N N 11 119.491 116.377 3.114 1
1 73 . 15 1 1 A 12 12 PHE H H 12 8.198 8.835 -0.637 1
1 74 . 15 1 1 A 12 12 PHE HA H 12 5.014 5.695 -0.681 1
1 82 . 15 1 1 A 12 12 PHE C C 12 171.976 173.837 -1.861 1
1 83 . 15 1 1 A 12 12 PHE CA C 12 55.597 55.339 0.258 1
1 84 . 15 1 1 A 12 12 PHE CB C 12 42.384 42.166 0.218 1
1 90 . 15 1 1 A 12 12 PHE N N 12 111.146 117.860 -6.714 1
1 91 . 15 1 1 A 13 13 ILE H H 13 8.655 8.888 -0.233 1
1 92 . 15 1 1 A 13 13 ILE HA H 13 4.165 4.286 -0.121 1
1 102 . 15 1 1 A 13 13 ILE C C 13 173.432 175.629 -2.197 1
1 103 . 15 1 1 A 13 13 ILE CA C 13 62.270 62.236 0.034 1
1 104 . 15 1 1 A 13 13 ILE CB C 13 39.957 37.213 2.744 1
1 108 . 15 1 1 A 13 13 ILE N N 13 121.427 124.576 -3.149 1
1 109 . 15 1 1 A 14 14 SER H H 14 8.034 8.635 -0.601 1
1 110 . 15 1 1 A 14 14 SER HA H 14 5.588 5.584 0.004 1
1 113 . 15 1 1 A 14 14 SER C C 14 173.429 173.893 -0.464 1
1 114 . 15 1 1 A 14 14 SER CA C 14 56.650 56.612 0.038 1
1 115 . 15 1 1 A 14 14 SER CB C 14 70.177 64.758 5.419 1
1 116 . 15 1 1 A 14 14 SER N N 14 121.358 122.388 -1.030 1
1 117 . 15 1 1 A 15 15 ARG H H 15 9.545 9.199 0.346 1
1 118 . 15 1 1 A 15 15 ARG HA H 15 5.826 4.908 0.918 1
1 126 . 15 1 1 A 15 15 ARG C C 15 176.042 175.519 0.523 1
1 127 . 15 1 1 A 15 15 ARG CA C 15 55.105 55.202 -0.097 1
1 128 . 15 1 1 A 15 15 ARG CB C 15 35.587 32.774 2.813 1
1 131 . 15 1 1 A 15 15 ARG N N 15 118.317 124.823 -6.506 1
1 133 . 15 1 1 A 16 16 HIS H H 16 8.730 8.205 0.525 1
1 134 . 15 1 1 A 16 16 HIS HA H 16 5.555 5.450 0.105 1
1 141 . 15 1 1 A 16 16 HIS C C 16 174.062 172.987 1.075 1
1 142 . 15 1 1 A 16 16 HIS CA C 16 54.057 54.489 -0.432 1
1 143 . 15 1 1 A 16 16 HIS CB C 16 31.334 31.276 0.058 1
1 146 . 15 1 1 A 16 16 HIS N N 16 117.425 117.209 0.216 1
1 148 . 15 1 1 A 17 17 ASN H H 17 8.201 8.689 -0.488 1
1 149 . 15 1 1 A 17 17 ASN HA H 17 4.897 5.016 -0.119 1
1 154 . 15 1 1 A 17 17 ASN C C 17 178.263 175.753 2.510 1
1 155 . 15 1 1 A 17 17 ASN CA C 17 51.104 51.675 -0.571 1
1 156 . 15 1 1 A 17 17 ASN CB C 17 38.469 39.074 -0.605 1
1 157 . 15 1 1 A 17 17 ASN N N 17 116.276 117.895 -1.619 1
1 159 . 15 1 1 A 18 18 ILE H H 18 8.774 8.812 -0.038 1
1 160 . 15 1 1 A 18 18 ILE HA H 18 3.795 3.920 -0.125 1
1 170 . 15 1 1 A 18 18 ILE C C 18 174.851 177.797 -2.946 1
1 171 . 15 1 1 A 18 18 ILE CA C 18 64.399 64.042 0.357 1
1 172 . 15 1 1 A 18 18 ILE CB C 18 38.072 37.915 0.157 1
1 176 . 15 1 1 A 18 18 ILE N N 18 120.001 120.300 -0.299 1
1 177 . 15 1 1 A 19 19 GLU H H 19 7.213 7.833 -0.620 1
1 178 . 15 1 1 A 19 19 GLU HA H 19 4.225 4.081 0.144 1
1 183 . 15 1 1 A 19 19 GLU CA C 19 57.145 56.825 0.320 1
1 184 . 15 1 1 A 19 19 GLU CB C 19 29.878 29.826 0.052 1
1 186 . 15 1 1 A 19 19 GLU N N 19 116.538 119.286 -2.748 1
1 187 . 15 1 1 A 20 20 GLY H H 20 7.845 7.875 -0.030 1
1 188 . 15 1 1 A 20 20 GLY HA2 H 20 4.878 2.762 2.116 1
1 189 . 15 1 1 A 20 20 GLY HA3 H 20 2.886 3.639 -0.753 1
1 190 . 15 1 1 A 20 20 GLY C C 20 172.992 174.087 -1.095 1
1 191 . 15 1 1 A 20 20 GLY CA C 20 44.049 44.324 -0.275 1
1 192 . 15 1 1 A 20 20 GLY N N 20 104.883 106.178 -1.295 1
1 193 . 15 1 1 A 21 21 ILE H H 21 7.841 7.618 0.223 1
1 194 . 15 1 1 A 21 21 ILE HA H 21 3.995 4.088 -0.093 1
1 204 . 15 1 1 A 21 21 ILE C C 21 176.915 175.485 1.430 1
1 205 . 15 1 1 A 21 21 ILE CA C 21 60.302 61.671 -1.369 1
1 206 . 15 1 1 A 21 21 ILE CB C 21 36.111 38.058 -1.947 1
1 210 . 15 1 1 A 21 21 ILE N N 21 120.855 122.782 -1.927 1
1 211 . 15 1 1 A 22 22 PHE H H 22 8.896 8.582 0.314 1
1 212 . 15 1 1 A 22 22 PHE HA H 22 5.052 4.985 0.067 1
1 220 . 15 1 1 A 22 22 PHE C C 22 177.971 176.241 1.730 1
1 221 . 15 1 1 A 22 22 PHE CA C 22 59.625 59.045 0.580 1
1 222 . 15 1 1 A 22 22 PHE CB C 22 39.984 39.138 0.846 1
1 228 . 15 1 1 A 22 22 PHE N N 22 125.849 128.459 -2.610 1
1 229 . 15 1 1 A 23 23 THR H H 23 9.771 8.908 0.863 1
1 230 . 15 1 1 A 23 23 THR HA H 23 4.403 4.495 -0.092 1
1 235 . 15 1 1 A 23 23 THR C C 23 175.589 174.554 1.035 1
1 236 . 15 1 1 A 23 23 THR CA C 23 61.611 62.253 -0.642 1
1 237 . 15 1 1 A 23 23 THR CB C 23 69.193 69.211 -0.018 1
1 239 . 15 1 1 A 23 23 THR N N 23 117.677 115.228 2.449 1
1 240 . 15 1 1 A 24 24 PHE H H 24 7.948 7.418 0.530 1
1 241 . 15 1 1 A 24 24 PHE HA H 24 4.483 4.770 -0.287 1
1 249 . 15 1 1 A 24 24 PHE C C 24 173.376 173.305 0.071 1
1 250 . 15 1 1 A 24 24 PHE CA C 24 59.142 58.270 0.872 1
1 251 . 15 1 1 A 24 24 PHE CB C 24 42.161 42.334 -0.173 1
1 257 . 15 1 1 A 24 24 PHE N N 24 123.378 121.208 2.170 1
1 258 . 15 1 1 A 25 25 VAL H H 25 7.340 7.346 -0.006 1
1 259 . 15 1 1 A 25 25 VAL HA H 25 4.166 4.310 -0.144 1
1 267 . 15 1 1 A 25 25 VAL C C 25 173.103 173.483 -0.380 1
1 268 . 15 1 1 A 25 25 VAL CA C 25 61.539 60.393 1.146 1
1 269 . 15 1 1 A 25 25 VAL CB C 25 35.683 35.061 0.622 1
1 272 . 15 1 1 A 25 25 VAL N N 25 124.777 123.349 1.428 1
1 273 . 15 1 1 A 26 26 ASP H H 26 7.942 8.511 -0.569 1
1 274 . 15 1 1 A 26 26 ASP HA H 26 4.466 4.596 -0.130 1
1 277 . 15 1 1 A 26 26 ASP C C 26 175.258 177.319 -2.061 1
1 278 . 15 1 1 A 26 26 ASP CA C 26 53.318 54.392 -1.074 1
1 279 . 15 1 1 A 26 26 ASP CB C 26 42.461 42.446 0.015 1
1 280 . 15 1 1 A 26 26 ASP N N 26 125.573 126.510 -0.937 1
1 281 . 15 1 1 A 27 27 HIS H H 27 8.115 8.844 -0.729 1
1 282 . 15 1 1 A 27 27 HIS HA H 27 4.222 4.106 0.116 1
1 286 . 15 1 1 A 27 27 HIS C C 27 177.268 176.500 0.768 1
1 287 . 15 1 1 A 27 27 HIS CA C 27 59.164 58.731 0.433 1
1 288 . 15 1 1 A 27 27 HIS CB C 27 30.374 29.228 1.146 1
1 290 . 15 1 1 A 27 27 HIS N N 27 117.576 123.558 -5.982 1
1 291 . 15 1 1 A 28 28 ARG H H 28 8.724 8.383 0.341 1
1 292 . 15 1 1 A 28 28 ARG HA H 28 4.210 3.730 0.480 1
1 300 . 15 1 1 A 28 28 ARG C C 28 177.838 179.080 -1.242 1
1 301 . 15 1 1 A 28 28 ARG CA C 28 58.199 59.434 -1.235 1
1 302 . 15 1 1 A 28 28 ARG CB C 28 29.815 29.617 0.198 1
1 305 . 15 1 1 A 28 28 ARG N N 28 122.414 120.785 1.629 1
1 307 . 15 1 1 A 29 29 CYS H H 29 8.102 8.299 -0.197 1
1 308 . 15 1 1 A 29 29 CYS HA H 29 3.124 3.101 0.023 1
1 311 . 15 1 1 A 29 29 CYS C C 29 175.551 177.069 -1.518 1
1 312 . 15 1 1 A 29 29 CYS CA C 29 59.988 60.940 -0.952 1
1 313 . 15 1 1 A 29 29 CYS CB C 29 25.101 26.151 -1.050 1
1 314 . 15 1 1 A 29 29 CYS N N 29 119.987 117.471 2.516 1
1 315 . 15 1 1 A 30 30 VAL H H 30 7.139 7.124 0.015 1
1 316 . 15 1 1 A 30 30 VAL HA H 30 3.373 3.632 -0.259 1
1 324 . 15 1 1 A 30 30 VAL C C 30 178.225 178.003 0.222 1
1 325 . 15 1 1 A 30 30 VAL CA C 30 65.903 64.564 1.339 1
1 326 . 15 1 1 A 30 30 VAL CB C 30 31.446 31.530 -0.084 1
1 329 . 15 1 1 A 30 30 VAL N N 30 125.016 119.304 5.712 1
1 330 . 15 1 1 A 31 31 ALA H H 31 7.393 7.709 -0.316 1
1 331 . 15 1 1 A 31 31 ALA HA H 31 4.126 4.073 0.053 1
1 335 . 15 1 1 A 31 31 ALA C C 31 178.111 179.726 -1.615 1
1 336 . 15 1 1 A 31 31 ALA CA C 31 53.715 54.265 -0.550 1
1 337 . 15 1 1 A 31 31 ALA CB C 31 19.223 18.402 0.821 1
1 338 . 15 1 1 A 31 31 ALA N N 31 120.554 124.024 -3.470 1
1 339 . 15 1 1 A 32 32 THR H H 32 7.253 7.784 -0.531 1
1 340 . 15 1 1 A 32 32 THR HA H 32 4.116 4.065 0.051 1
1 345 . 15 1 1 A 32 32 THR C C 32 175.655 175.989 -0.334 1
1 346 . 15 1 1 A 32 32 THR CA C 32 64.727 65.501 -0.774 1
1 347 . 15 1 1 A 32 32 THR CB C 32 69.144 69.371 -0.227 1
1 349 . 15 1 1 A 32 32 THR N N 32 109.150 113.594 -4.444 1
1 350 . 15 1 1 A 33 33 VAL H H 33 7.939 7.729 0.210 1
1 351 . 15 1 1 A 33 33 VAL HA H 33 4.504 4.687 -0.183 1
1 359 . 15 1 1 A 33 33 VAL C C 33 175.594 176.268 -0.674 1
1 360 . 15 1 1 A 33 33 VAL CA C 33 60.596 60.466 0.130 1
1 361 . 15 1 1 A 33 33 VAL CB C 33 34.900 31.404 3.496 1
1 364 . 15 1 1 A 33 33 VAL N N 33 108.519 113.175 -4.656 1
1 365 . 15 1 1 A 34 34 GLY H H 34 7.439 7.788 -0.349 1
1 366 . 15 1 1 A 34 34 GLY HA2 H 34 4.099 3.681 0.418 1
1 367 . 15 1 1 A 34 34 GLY HA3 H 34 3.846 3.785 0.061 1
1 368 . 15 1 1 A 34 34 GLY C C 34 173.655 173.556 0.099 1
1 369 . 15 1 1 A 34 34 GLY CA C 34 46.538 45.360 1.178 1
1 370 . 15 1 1 A 34 34 GLY N N 34 109.672 110.209 -0.537 1
1 371 . 15 1 1 A 35 35 TYR H H 35 6.215 7.581 -1.366 1
1 372 . 15 1 1 A 35 35 TYR HA H 35 4.415 4.882 -0.467 1
1 379 . 15 1 1 A 35 35 TYR C C 35 174.492 175.360 -0.868 1
1 380 . 15 1 1 A 35 35 TYR CA C 35 57.289 58.862 -1.573 1
1 381 . 15 1 1 A 35 35 TYR CB C 35 40.784 38.235 2.549 1
1 386 . 15 1 1 A 35 35 TYR N N 35 117.067 119.979 -2.912 1
1 387 . 15 1 1 A 36 36 GLN H H 36 9.145 8.557 0.588 1
1 388 . 15 1 1 A 36 36 GLN HA H 36 4.285 4.232 0.053 1
1 393 . 15 1 1 A 36 36 GLN CA C 36 53.760 54.622 -0.862 1
1 394 . 15 1 1 A 36 36 GLN CB C 36 27.558 28.451 -0.893 1
1 396 . 15 1 1 A 36 36 GLN N N 36 117.664 124.211 -6.547 1
1 397 . 15 1 1 A 37 37 PRO HA H 37 3.755 4.048 -0.293 1
1 404 . 15 1 1 A 37 37 PRO C C 37 178.629 178.247 0.382 1
1 405 . 15 1 1 A 37 37 PRO CA C 37 66.415 65.767 0.648 1
1 406 . 15 1 1 A 37 37 PRO CB C 37 31.313 31.663 -0.350 1
1 409 . 15 1 1 A 38 38 GLN H H 38 8.870 8.829 0.041 1
1 410 . 15 1 1 A 38 38 GLN HA H 38 3.996 4.087 -0.091 1
1 415 . 15 1 1 A 38 38 GLN C C 38 177.121 177.491 -0.370 1
1 416 . 15 1 1 A 38 38 GLN CA C 38 58.468 58.455 0.013 1
1 417 . 15 1 1 A 38 38 GLN CB C 38 27.259 27.647 -0.388 1
1 419 . 15 1 1 A 38 38 GLN N N 38 113.031 115.401 -2.370 1
1 420 . 15 1 1 A 39 39 GLU H H 39 7.799 7.854 -0.055 1
1 421 . 15 1 1 A 39 39 GLU HA H 39 4.203 4.248 -0.045 1
1 426 . 15 1 1 A 39 39 GLU C C 39 175.485 177.318 -1.833 1
1 427 . 15 1 1 A 39 39 GLU CA C 39 57.598 58.450 -0.852 1
1 428 . 15 1 1 A 39 39 GLU CB C 39 30.955 29.630 1.325 1
1 430 . 15 1 1 A 39 39 GLU N N 39 117.366 119.529 -2.163 1
1 431 . 15 1 1 A 40 40 LEU H H 40 7.001 7.316 -0.315 1
1 432 . 15 1 1 A 40 40 LEU HA H 40 4.205 4.529 -0.324 1
1 442 . 15 1 1 A 40 40 LEU C C 40 176.417 177.396 -0.979 1
1 443 . 15 1 1 A 40 40 LEU CA C 40 55.345 55.755 -0.410 1
1 444 . 15 1 1 A 40 40 LEU CB C 40 43.190 43.651 -0.461 1
1 448 . 15 1 1 A 40 40 LEU N N 40 116.615 118.420 -1.805 1
1 449 . 15 1 1 A 41 41 LEU H H 41 7.521 7.955 -0.434 1
1 450 . 15 1 1 A 41 41 LEU HA H 41 3.678 4.287 -0.609 1
1 460 . 15 1 1 A 41 41 LEU C C 41 177.754 177.963 -0.209 1
1 461 . 15 1 1 A 41 41 LEU CA C 41 57.050 57.251 -0.201 1
1 462 . 15 1 1 A 41 41 LEU CB C 41 42.155 41.666 0.489 1
1 466 . 15 1 1 A 41 41 LEU N N 41 117.814 121.177 -3.363 1
1 467 . 15 1 1 A 42 42 GLY H H 42 8.535 9.309 -0.774 1
1 468 . 15 1 1 A 42 42 GLY HA2 H 42 4.328 4.012 0.316 1
1 469 . 15 1 1 A 42 42 GLY HA3 H 42 3.601 4.012 -0.411 1
1 470 . 15 1 1 A 42 42 GLY C C 42 173.808 173.791 0.017 1
1 471 . 15 1 1 A 42 42 GLY CA C 42 45.689 45.223 0.466 1
1 472 . 15 1 1 A 42 42 GLY N N 42 110.496 111.900 -1.404 1
1 473 . 15 1 1 A 43 43 LYS H H 43 8.398 8.115 0.283 1
1 474 . 15 1 1 A 43 43 LYS HA H 43 4.680 4.592 0.088 1
1 483 . 15 1 1 A 43 43 LYS C C 43 173.943 175.488 -1.545 1
1 484 . 15 1 1 A 43 43 LYS CA C 43 54.361 54.638 -0.277 1
1 485 . 15 1 1 A 43 43 LYS CB C 43 33.960 34.172 -0.212 1
1 489 . 15 1 1 A 43 43 LYS N N 43 120.461 120.639 -0.178 1
1 490 . 15 1 1 A 44 44 ASN H H 44 8.892 8.161 0.731 1
1 491 . 15 1 1 A 44 44 ASN HA H 44 4.690 4.606 0.084 1
1 496 . 15 1 1 A 44 44 ASN C C 44 176.922 175.618 1.304 1
1 497 . 15 1 1 A 44 44 ASN CA C 44 52.256 53.216 -0.960 1
1 498 . 15 1 1 A 44 44 ASN CB C 44 40.451 39.622 0.829 1
1 499 . 15 1 1 A 44 44 ASN N N 44 119.869 121.792 -1.923 1
1 501 . 15 1 1 A 45 45 ILE H H 45 8.543 8.281 0.262 1
1 502 . 15 1 1 A 45 45 ILE HA H 45 3.887 3.609 0.278 1
1 511 . 15 1 1 A 45 45 ILE C C 45 176.137 177.072 -0.935 1
1 512 . 15 1 1 A 45 45 ILE CA C 45 65.116 64.396 0.720 1
1 513 . 15 1 1 A 45 45 ILE CB C 45 36.637 37.719 -1.082 1
1 517 . 15 1 1 A 45 45 ILE N N 45 129.131 127.409 1.722 1
1 518 . 15 1 1 A 46 46 VAL H H 46 9.059 7.347 1.712 1
1 519 . 15 1 1 A 46 46 VAL HA H 46 3.439 3.737 -0.298 1
1 527 . 15 1 1 A 46 46 VAL C C 46 178.407 178.194 0.213 1
1 528 . 15 1 1 A 46 46 VAL CA C 46 65.705 65.509 0.196 1
1 529 . 15 1 1 A 46 46 VAL CB C 46 31.022 31.145 -0.123 1
1 532 . 15 1 1 A 46 46 VAL N N 46 118.981 117.955 1.026 1
1 533 . 15 1 1 A 47 47 GLU H H 47 7.923 8.377 -0.454 1
1 534 . 15 1 1 A 47 47 GLU HA H 47 3.989 3.902 0.087 1
1 539 . 15 1 1 A 47 47 GLU C C 47 177.664 178.685 -1.021 1
1 540 . 15 1 1 A 47 47 GLU CA C 47 57.999 59.234 -1.235 1
1 541 . 15 1 1 A 47 47 GLU CB C 47 28.849 29.077 -0.228 1
1 543 . 15 1 1 A 47 47 GLU N N 47 117.733 121.452 -3.719 1
1 544 . 15 1 1 A 48 48 PHE H H 48 7.689 7.462 0.227 1
1 545 . 15 1 1 A 48 48 PHE HA H 48 4.177 4.226 -0.049 1
1 553 . 15 1 1 A 48 48 PHE C C 48 172.739 175.881 -3.142 1
1 554 . 15 1 1 A 48 48 PHE CA C 48 57.725 59.952 -2.227 1
1 555 . 15 1 1 A 48 48 PHE CB C 48 39.428 39.403 0.025 1
1 561 . 15 1 1 A 48 48 PHE N N 48 117.768 115.789 1.979 1
1 562 . 15 1 1 A 49 49 CYS H H 49 7.413 7.336 0.077 1
1 563 . 15 1 1 A 49 49 CYS HA H 49 5.671 5.044 0.627 1
1 566 . 15 1 1 A 49 49 CYS CA C 49 56.429 60.006 -3.577 1
1 567 . 15 1 1 A 49 49 CYS CB C 49 28.747 28.154 0.593 1
1 568 . 15 1 1 A 49 49 CYS N N 49 119.705 118.183 1.522 1
1 569 . 15 1 1 A 50 50 HIS H H 50 8.640 8.571 0.069 1
1 570 . 15 1 1 A 50 50 HIS HA H 50 3.655 4.010 -0.355 1
1 574 . 15 1 1 A 50 50 HIS CA C 50 56.934 54.802 2.132 1
1 575 . 15 1 1 A 50 50 HIS CB C 50 32.071 30.330 1.741 1
1 577 . 15 1 1 A 50 50 HIS N N 50 134.180 124.374 9.806 1
1 578 . 15 1 1 A 51 51 PRO HA H 51 4.044 4.169 -0.125 1
1 584 . 15 1 1 A 51 51 PRO C C 51 179.121 178.880 0.241 1
1 585 . 15 1 1 A 51 51 PRO CA C 51 65.989 66.085 -0.096 1
1 586 . 15 1 1 A 51 51 PRO CB C 51 32.605 31.677 0.928 1
1 589 . 15 1 1 A 52 52 GLU H H 52 10.986 8.656 2.330 1
1 590 . 15 1 1 A 52 52 GLU HA H 52 4.125 4.117 0.008 1
1 595 . 15 1 1 A 52 52 GLU C C 52 177.643 177.120 0.523 1
1 596 . 15 1 1 A 52 52 GLU CA C 52 58.522 58.932 -0.410 1
1 597 . 15 1 1 A 52 52 GLU CB C 52 29.347 28.861 0.486 1
1 599 . 15 1 1 A 52 52 GLU N N 52 119.351 117.724 1.627 1
1 600 . 15 1 1 A 53 53 ASP H H 53 8.203 8.069 0.134 1
1 601 . 15 1 1 A 53 53 ASP HA H 53 4.898 4.649 0.249 1
1 604 . 15 1 1 A 53 53 ASP C C 53 175.641 177.204 -1.563 1
1 605 . 15 1 1 A 53 53 ASP CA C 53 54.092 54.487 -0.395 1
1 606 . 15 1 1 A 53 53 ASP CB C 53 43.596 41.781 1.815 1
1 607 . 15 1 1 A 53 53 ASP N N 53 117.757 117.711 0.046 1
1 608 . 15 1 1 A 54 54 GLN H H 54 6.922 7.887 -0.965 1
1 609 . 15 1 1 A 54 54 GLN HA H 54 3.985 3.957 0.028 1
1 616 . 15 1 1 A 54 54 GLN C C 54 177.417 178.777 -1.360 1
1 617 . 15 1 1 A 54 54 GLN CA C 54 60.084 58.952 1.132 1
1 618 . 15 1 1 A 54 54 GLN CB C 54 28.448 28.163 0.285 1
1 620 . 15 1 1 A 54 54 GLN N N 54 118.680 119.361 -0.681 1
1 622 . 15 1 1 A 55 55 GLN H H 55 8.663 7.960 0.703 1
1 623 . 15 1 1 A 55 55 GLN HA H 55 3.778 4.046 -0.268 1
1 630 . 15 1 1 A 55 55 GLN C C 55 177.398 178.129 -0.731 1
1 631 . 15 1 1 A 55 55 GLN CA C 55 58.812 58.498 0.314 1
1 632 . 15 1 1 A 55 55 GLN CB C 55 27.402 28.590 -1.188 1
1 634 . 15 1 1 A 55 55 GLN N N 55 119.173 120.115 -0.942 1
1 636 . 15 1 1 A 56 56 LEU H H 56 7.935 7.647 0.288 1
1 637 . 15 1 1 A 56 56 LEU HA H 56 4.071 4.086 -0.015 1
1 647 . 15 1 1 A 56 56 LEU C C 56 180.037 178.023 2.014 1
1 648 . 15 1 1 A 56 56 LEU CA C 56 57.698 57.417 0.281 1
1 649 . 15 1 1 A 56 56 LEU CB C 56 41.586 42.270 -0.684 1
1 653 . 15 1 1 A 56 56 LEU N N 56 119.661 120.659 -0.998 1
1 654 . 15 1 1 A 57 57 LEU H H 57 7.382 7.899 -0.517 1
1 655 . 15 1 1 A 57 57 LEU HA H 57 3.575 3.618 -0.043 1
1 665 . 15 1 1 A 57 57 LEU C C 57 178.470 178.178 0.292 1
1 666 . 15 1 1 A 57 57 LEU CA C 57 57.703 58.118 -0.415 1
1 667 . 15 1 1 A 57 57 LEU CB C 57 42.077 41.526 0.551 1
1 671 . 15 1 1 A 57 57 LEU N N 57 119.857 119.927 -0.070 1
1 672 . 15 1 1 A 58 58 ARG H H 58 8.118 8.556 -0.438 1
1 673 . 15 1 1 A 58 58 ARG HA H 58 3.338 3.854 -0.516 1
1 680 . 15 1 1 A 58 58 ARG C C 58 179.713 178.664 1.049 1
1 681 . 15 1 1 A 58 58 ARG CA C 58 60.120 59.563 0.557 1
1 682 . 15 1 1 A 58 58 ARG CB C 58 30.320 29.855 0.465 1
1 685 . 15 1 1 A 58 58 ARG N N 58 118.198 117.845 0.353 1
1 686 . 15 1 1 A 59 59 ASP H H 59 8.748 8.001 0.747 1
1 687 . 15 1 1 A 59 59 ASP HA H 59 4.336 4.273 0.063 1
1 690 . 15 1 1 A 59 59 ASP C C 59 179.130 177.998 1.132 1
1 691 . 15 1 1 A 59 59 ASP CA C 59 57.197 57.567 -0.370 1
1 692 . 15 1 1 A 59 59 ASP CB C 59 40.212 41.825 -1.613 1
1 693 . 15 1 1 A 59 59 ASP N N 59 119.165 119.877 -0.712 1
1 694 . 15 1 1 A 60 60 SER H H 60 7.552 8.148 -0.596 1
1 695 . 15 1 1 A 60 60 SER HA H 60 4.116 4.158 -0.042 1
1 698 . 15 1 1 A 60 60 SER C C 60 175.883 177.239 -1.356 1
1 699 . 15 1 1 A 60 60 SER CA C 60 61.975 61.253 0.722 1
1 700 . 15 1 1 A 60 60 SER CB C 60 63.098 61.884 1.214 1
1 701 . 15 1 1 A 60 60 SER N N 60 117.761 115.125 2.636 1
1 702 . 15 1 1 A 61 61 PHE H H 61 7.063 7.437 -0.374 1
1 703 . 15 1 1 A 61 61 PHE HA H 61 4.614 4.391 0.223 1
1 711 . 15 1 1 A 61 61 PHE C C 61 177.561 178.401 -0.840 1
1 712 . 15 1 1 A 61 61 PHE CA C 61 56.777 61.664 -4.887 1
1 713 . 15 1 1 A 61 61 PHE CB C 61 36.564 38.342 -1.778 1
1 719 . 15 1 1 A 61 61 PHE N N 61 122.009 119.117 2.892 1
1 720 . 15 1 1 A 62 62 GLN H H 62 7.376 8.378 -1.002 1
1 721 . 15 1 1 A 62 62 GLN HA H 62 4.038 3.977 0.061 1
1 726 . 15 1 1 A 62 62 GLN C C 62 179.093 179.012 0.081 1
1 727 . 15 1 1 A 62 62 GLN CA C 62 58.240 59.389 -1.149 1
1 728 . 15 1 1 A 62 62 GLN CB C 62 28.094 28.305 -0.211 1
1 730 . 15 1 1 A 62 62 GLN N N 62 114.929 118.260 -3.331 1
1 731 . 15 1 1 A 63 63 GLN H H 63 7.893 7.792 0.101 1
1 732 . 15 1 1 A 63 63 GLN HA H 63 4.083 4.195 -0.112 1
1 737 . 15 1 1 A 63 63 GLN C C 63 178.244 178.670 -0.426 1
1 738 . 15 1 1 A 63 63 GLN CA C 63 58.408 58.336 0.072 1
1 739 . 15 1 1 A 63 63 GLN CB C 63 28.755 28.424 0.331 1
1 741 . 15 1 1 A 63 63 GLN N N 63 117.434 120.391 -2.957 1
1 742 . 15 1 1 A 64 64 VAL H H 64 8.220 8.126 0.094 1
1 743 . 15 1 1 A 64 64 VAL HA H 64 3.663 4.165 -0.502 1
1 751 . 15 1 1 A 64 64 VAL C C 64 177.137 178.083 -0.946 1
1 752 . 15 1 1 A 64 64 VAL CA C 64 66.107 65.567 0.540 1
1 753 . 15 1 1 A 64 64 VAL CB C 64 31.475 31.616 -0.141 1
1 756 . 15 1 1 A 64 64 VAL N N 64 118.766 117.236 1.530 1
1 757 . 15 1 1 A 65 65 VAL H H 65 6.860 7.661 -0.801 1
1 758 . 15 1 1 A 65 65 VAL HA H 65 3.833 3.905 -0.072 1
1 766 . 15 1 1 A 65 65 VAL C C 65 177.624 177.950 -0.326 1
1 767 . 15 1 1 A 65 65 VAL CA C 65 64.200 64.760 -0.560 1
1 768 . 15 1 1 A 65 65 VAL CB C 65 31.730 31.804 -0.074 1
1 771 . 15 1 1 A 65 65 VAL N N 65 112.590 122.324 -9.734 1
1 772 . 15 1 1 A 66 66 LYS H H 66 7.431 7.894 -0.463 1
1 773 . 15 1 1 A 66 66 LYS HA H 66 4.184 3.992 0.192 1
1 782 . 15 1 1 A 66 66 LYS C C 66 177.374 178.250 -0.876 1
1 783 . 15 1 1 A 66 66 LYS CA C 66 58.190 59.881 -1.691 1
1 784 . 15 1 1 A 66 66 LYS CB C 66 33.232 32.233 0.999 1
1 788 . 15 1 1 A 66 66 LYS N N 66 119.643 121.909 -2.266 1
1 789 . 15 1 1 A 67 67 LEU H H 67 7.859 8.102 -0.243 1
1 790 . 15 1 1 A 67 67 LEU HA H 67 4.552 4.323 0.229 1
1 800 . 15 1 1 A 67 67 LEU C C 67 175.532 176.043 -0.511 1
1 801 . 15 1 1 A 67 67 LEU CA C 67 53.108 55.195 -2.087 1
1 802 . 15 1 1 A 67 67 LEU CB C 67 40.979 41.793 -0.814 1
1 806 . 15 1 1 A 67 67 LEU N N 67 121.288 117.925 3.363 1
1 807 . 15 1 1 A 68 68 LYS H H 68 7.475 8.187 -0.712 1
1 808 . 15 1 1 A 68 68 LYS HA H 68 4.156 4.210 -0.054 1
1 817 . 15 1 1 A 68 68 LYS C C 68 177.987 175.728 2.259 1
1 818 . 15 1 1 A 68 68 LYS CA C 68 58.388 57.261 1.127 1
1 819 . 15 1 1 A 68 68 LYS CB C 68 32.207 31.647 0.560 1
1 823 . 15 1 1 A 68 68 LYS N N 68 119.626 118.734 0.892 1
1 824 . 15 1 1 A 69 69 GLY H H 69 8.696 8.214 0.482 1
1 825 . 15 1 1 A 69 69 GLY HA2 H 69 4.294 4.047 0.247 1
1 826 . 15 1 1 A 69 69 GLY HA3 H 69 3.896 4.050 -0.154 1
1 827 . 15 1 1 A 69 69 GLY CA C 69 45.335 45.152 0.183 1
1 828 . 15 1 1 A 69 69 GLY N N 69 113.681 111.166 2.515 1
1 829 . 15 1 1 A 70 70 GLN H H 70 8.031 7.948 0.083 1
1 830 . 15 1 1 A 70 70 GLN HA H 70 4.508 4.268 0.240 1
1 835 . 15 1 1 A 70 70 GLN C C 70 174.684 175.098 -0.414 1
1 836 . 15 1 1 A 70 70 GLN CA C 70 55.347 56.451 -1.104 1
1 837 . 15 1 1 A 70 70 GLN CB C 70 30.111 29.330 0.781 1
1 839 . 15 1 1 A 70 70 GLN N N 70 119.949 121.909 -1.960 1
1 840 . 15 1 1 A 71 71 VAL H H 71 8.232 8.409 -0.177 1
1 841 . 15 1 1 A 71 71 VAL HA H 71 4.822 4.673 0.149 1
1 849 . 15 1 1 A 71 71 VAL C C 71 176.406 174.908 1.498 1
1 850 . 15 1 1 A 71 71 VAL CA C 71 61.198 62.432 -1.234 1
1 851 . 15 1 1 A 71 71 VAL CB C 71 32.964 32.878 0.086 1
1 854 . 15 1 1 A 71 71 VAL N N 71 121.816 126.760 -4.944 1
1 855 . 15 1 1 A 72 72 LEU H H 72 9.052 9.276 -0.224 1
1 856 . 15 1 1 A 72 72 LEU HA H 72 4.827 5.253 -0.426 1
1 865 . 15 1 1 A 72 72 LEU C C 72 175.411 175.805 -0.394 1
1 866 . 15 1 1 A 72 72 LEU CA C 72 52.895 53.344 -0.449 1
1 867 . 15 1 1 A 72 72 LEU CB C 72 44.755 45.411 -0.656 1
1 870 . 15 1 1 A 72 72 LEU N N 72 130.331 129.231 1.100 1
1 871 . 15 1 1 A 73 73 SER H H 73 8.057 8.995 -0.938 1
1 872 . 15 1 1 A 73 73 SER HA H 73 5.211 5.805 -0.594 1
1 875 . 15 1 1 A 73 73 SER C C 73 174.562 173.024 1.538 1
1 876 . 15 1 1 A 73 73 SER CA C 73 56.591 56.769 -0.178 1
1 877 . 15 1 1 A 73 73 SER CB C 73 66.336 65.092 1.244 1
1 878 . 15 1 1 A 73 73 SER N N 73 113.040 118.370 -5.330 1
1 879 . 15 1 1 A 74 74 VAL H H 74 8.799 8.736 0.063 1
1 880 . 15 1 1 A 74 74 VAL HA H 74 4.705 5.004 -0.299 1
1 888 . 15 1 1 A 74 74 VAL C C 74 174.122 174.005 0.117 1
1 889 . 15 1 1 A 74 74 VAL CA C 74 59.403 59.534 -0.131 1
1 890 . 15 1 1 A 74 74 VAL CB C 74 35.474 35.902 -0.428 1
1 893 . 15 1 1 A 74 74 VAL N N 74 122.721 122.074 0.647 1
1 894 . 15 1 1 A 75 75 MET H H 75 8.195 8.803 -0.608 1
1 895 . 15 1 1 A 75 75 MET HA H 75 5.922 6.058 -0.136 1
1 903 . 15 1 1 A 75 75 MET C C 75 175.531 175.636 -0.105 1
1 904 . 15 1 1 A 75 75 MET CA C 75 54.021 54.038 -0.017 1
1 905 . 15 1 1 A 75 75 MET CB C 75 34.750 34.003 0.747 1
1 908 . 15 1 1 A 75 75 MET N N 75 120.057 123.689 -3.632 1
1 909 . 15 1 1 A 76 76 PHE H H 76 9.394 9.149 0.245 1
1 910 . 15 1 1 A 76 76 PHE HA H 76 5.004 5.141 -0.137 1
1 918 . 15 1 1 A 76 76 PHE C C 76 171.623 172.430 -0.807 1
1 919 . 15 1 1 A 76 76 PHE CA C 76 55.802 55.453 0.349 1
1 920 . 15 1 1 A 76 76 PHE CB C 76 42.072 41.974 0.098 1
1 926 . 15 1 1 A 76 76 PHE N N 76 120.244 120.184 0.060 1
1 927 . 15 1 1 A 77 77 ARG H H 77 8.783 8.243 0.540 1
1 928 . 15 1 1 A 77 77 ARG HA H 77 4.420 4.218 0.202 1
1 936 . 15 1 1 A 77 77 ARG C C 77 173.455 174.617 -1.162 1
1 937 . 15 1 1 A 77 77 ARG CA C 77 54.218 55.032 -0.814 1
1 938 . 15 1 1 A 77 77 ARG CB C 77 32.439 30.196 2.243 1
1 941 . 15 1 1 A 77 77 ARG N N 77 121.379 118.887 2.492 1
1 943 . 15 1 1 A 78 78 PHE H H 78 9.258 9.217 0.041 1
1 944 . 15 1 1 A 78 78 PHE HA H 78 5.438 5.143 0.295 1
1 952 . 15 1 1 A 78 78 PHE C C 78 175.873 174.460 1.413 1
1 953 . 15 1 1 A 78 78 PHE CA C 78 55.173 56.743 -1.570 1
1 954 . 15 1 1 A 78 78 PHE CB C 78 44.530 39.731 4.799 1
1 960 . 15 1 1 A 78 78 PHE N N 78 128.097 126.322 1.775 1
1 961 . 15 1 1 A 79 79 ARG H H 79 9.242 8.961 0.281 1
1 962 . 15 1 1 A 79 79 ARG HA H 79 4.201 4.618 -0.417 1
1 969 . 15 1 1 A 79 79 ARG C C 79 175.316 176.444 -1.128 1
1 970 . 15 1 1 A 79 79 ARG CA C 79 55.255 56.636 -1.381 1
1 971 . 15 1 1 A 79 79 ARG CB C 79 29.358 30.488 -1.130 1
1 974 . 15 1 1 A 79 79 ARG N N 79 129.898 130.484 -0.586 1
1 975 . 15 1 1 A 80 80 SER H H 80 9.253 8.755 0.498 1
1 976 . 15 1 1 A 80 80 SER HA H 80 4.772 5.098 -0.326 1
1 979 . 15 1 1 A 80 80 SER C C 80 174.983 175.830 -0.847 1
1 980 . 15 1 1 A 80 80 SER CA C 80 58.191 58.250 -0.059 1
1 981 . 15 1 1 A 80 80 SER CB C 80 64.930 64.606 0.324 1
1 982 . 15 1 1 A 80 80 SER N N 80 128.002 123.844 4.158 1
1 983 . 15 1 1 A 81 81 LYS H H 81 8.065 8.847 -0.782 1
1 984 . 15 1 1 A 81 81 LYS HA H 81 3.675 3.555 0.120 1
1 993 . 15 1 1 A 81 81 LYS C C 81 177.417 177.868 -0.451 1
1 994 . 15 1 1 A 81 81 LYS CA C 81 59.236 58.940 0.296 1
1 995 . 15 1 1 A 81 81 LYS CB C 81 31.641 31.890 -0.249 1
1 999 . 15 1 1 A 81 81 LYS N N 81 123.505 123.790 -0.285 1
1 1000 . 15 1 1 A 82 82 ASN H H 82 7.934 7.780 0.154 1
1 1001 . 15 1 1 A 82 82 ASN HA H 82 4.679 4.753 -0.074 1
1 1006 . 15 1 1 A 82 82 ASN C C 82 173.949 174.297 -0.348 1
1 1007 . 15 1 1 A 82 82 ASN CA C 82 52.764 52.812 -0.048 1
1 1008 . 15 1 1 A 82 82 ASN CB C 82 37.428 38.489 -1.061 1
1 1009 . 15 1 1 A 82 82 ASN N N 82 115.202 114.270 0.932 1
1 1011 . 15 1 1 A 83 83 GLN H H 83 8.099 8.184 -0.085 1
1 1012 . 15 1 1 A 83 83 GLN HA H 83 3.382 3.746 -0.364 1
1 1019 . 15 1 1 A 83 83 GLN C C 83 174.208 174.006 0.202 1
1 1020 . 15 1 1 A 83 83 GLN CA C 83 56.400 56.854 -0.454 1
1 1021 . 15 1 1 A 83 83 GLN CB C 83 25.003 26.045 -1.042 1
1 1023 . 15 1 1 A 83 83 GLN N N 83 112.357 115.781 -3.424 1
1 1025 . 15 1 1 A 84 84 GLU H H 84 7.385 7.580 -0.195 1
1 1026 . 15 1 1 A 84 84 GLU HA H 84 4.322 4.692 -0.370 1
1 1031 . 15 1 1 A 84 84 GLU CA C 84 54.720 54.700 0.020 1
1 1032 . 15 1 1 A 84 84 GLU CB C 84 31.713 32.770 -1.057 1
1 1034 . 15 1 1 A 84 84 GLU N N 84 117.557 116.591 0.966 1
1 1035 . 15 1 1 A 85 85 TRP H H 85 8.645 8.723 -0.078 1
1 1036 . 15 1 1 A 85 85 TRP HA H 85 5.145 4.791 0.354 1
1 1045 . 15 1 1 A 85 85 TRP C C 85 175.772 175.749 0.023 1
1 1046 . 15 1 1 A 85 85 TRP CA C 85 55.591 57.242 -1.651 1
1 1047 . 15 1 1 A 85 85 TRP CB C 85 30.113 28.397 1.716 1
1 1053 . 15 1 1 A 85 85 TRP N N 85 121.388 122.903 -1.515 1
1 1055 . 15 1 1 A 86 86 LEU H H 86 9.348 8.877 0.471 1
1 1056 . 15 1 1 A 86 86 LEU HA H 86 4.847 4.871 -0.024 1
1 1066 . 15 1 1 A 86 86 LEU C C 86 176.991 176.321 0.670 1
1 1067 . 15 1 1 A 86 86 LEU CA C 86 53.102 54.020 -0.918 1
1 1068 . 15 1 1 A 86 86 LEU CB C 86 44.527 41.802 2.725 1
1 1071 . 15 1 1 A 86 86 LEU N N 86 126.537 126.077 0.460 1
1 1072 . 15 1 1 A 87 87 TRP H H 87 8.870 8.897 -0.027 1
1 1073 . 15 1 1 A 87 87 TRP HA H 87 4.465 4.970 -0.505 1
1 1082 . 15 1 1 A 87 87 TRP C C 87 175.731 176.934 -1.203 1
1 1083 . 15 1 1 A 87 87 TRP CA C 87 59.207 58.423 0.784 1
1 1084 . 15 1 1 A 87 87 TRP CB C 87 29.736 30.350 -0.614 1
1 1090 . 15 1 1 A 87 87 TRP N N 87 123.902 126.942 -3.040 1
1 1092 . 15 1 1 A 88 88 MET H H 88 9.432 9.125 0.307 1
1 1093 . 15 1 1 A 88 88 MET HA H 88 5.267 5.602 -0.335 1
1 1101 . 15 1 1 A 88 88 MET C C 88 174.713 174.110 0.603 1
1 1102 . 15 1 1 A 88 88 MET CA C 88 52.557 54.318 -1.761 1
1 1103 . 15 1 1 A 88 88 MET CB C 88 36.139 37.367 -1.228 1
1 1106 . 15 1 1 A 88 88 MET N N 88 123.412 121.347 2.065 1
1 1107 . 15 1 1 A 89 89 ARG H H 89 9.282 9.050 0.232 1
1 1108 . 15 1 1 A 89 89 ARG HA H 89 5.702 5.205 0.497 1
1 1115 . 15 1 1 A 89 89 ARG C C 89 177.137 175.716 1.421 1
1 1116 . 15 1 1 A 89 89 ARG CA C 89 54.266 54.689 -0.423 1
1 1117 . 15 1 1 A 89 89 ARG CB C 89 34.404 32.288 2.116 1
1 1120 . 15 1 1 A 89 89 ARG N N 89 119.570 121.265 -1.695 1
1 1121 . 15 1 1 A 90 90 THR H H 90 9.298 9.133 0.165 1
1 1122 . 15 1 1 A 90 90 THR HA H 90 5.625 5.312 0.313 1
1 1127 . 15 1 1 A 90 90 THR C C 90 176.787 174.297 2.490 1
1 1128 . 15 1 1 A 90 90 THR CA C 90 60.327 60.477 -0.150 1
1 1129 . 15 1 1 A 90 90 THR CB C 90 72.187 70.410 1.777 1
1 1131 . 15 1 1 A 90 90 THR N N 90 115.133 117.637 -2.504 1
1 1132 . 15 1 1 A 91 91 SER H H 91 8.194 8.767 -0.573 1
1 1133 . 15 1 1 A 91 91 SER HA H 91 4.860 5.213 -0.353 1
1 1136 . 15 1 1 A 91 91 SER C C 91 175.171 173.309 1.862 1
1 1137 . 15 1 1 A 91 91 SER CA C 91 59.224 57.143 2.081 1
1 1138 . 15 1 1 A 91 91 SER CB C 91 64.094 63.719 0.375 1
1 1139 . 15 1 1 A 91 91 SER N N 91 114.043 121.063 -7.020 1
1 1140 . 15 1 1 A 92 92 SER H H 92 9.864 8.081 1.783 1
1 1141 . 15 1 1 A 92 92 SER HA H 92 6.204 5.048 1.156 1
1 1144 . 15 1 1 A 92 92 SER C C 92 171.748 174.069 -2.321 1
1 1145 . 15 1 1 A 92 92 SER CA C 92 58.818 59.626 -0.808 1
1 1146 . 15 1 1 A 92 92 SER CB C 92 66.419 64.152 2.267 1
1 1147 . 15 1 1 A 92 92 SER N N 92 125.442 121.741 3.701 1
1 1148 . 15 1 1 A 93 93 GLN H H 93 8.873 8.719 0.154 1
1 1149 . 15 1 1 A 93 93 GLN HA H 93 5.048 4.958 0.090 1
1 1156 . 15 1 1 A 93 93 GLN C C 93 174.145 174.513 -0.368 1
1 1157 . 15 1 1 A 93 93 GLN CA C 93 54.262 54.562 -0.300 1
1 1158 . 15 1 1 A 93 93 GLN CB C 93 33.131 32.280 0.851 1
1 1160 . 15 1 1 A 93 93 GLN N N 93 117.328 122.183 -4.855 1
1 1162 . 15 1 1 A 94 94 THR H H 94 8.846 8.582 0.264 1
1 1163 . 15 1 1 A 94 94 THR HA H 94 3.979 4.511 -0.532 1
1 1168 . 15 1 1 A 94 94 THR C C 94 174.677 174.595 0.082 1
1 1169 . 15 1 1 A 94 94 THR CA C 94 64.467 62.613 1.854 1
1 1170 . 15 1 1 A 94 94 THR CB C 94 68.894 69.078 -0.184 1
1 1172 . 15 1 1 A 94 94 THR N N 94 116.526 113.153 3.373 1
1 1173 . 15 1 1 A 95 95 ALA H H 95 8.188 8.595 -0.407 1
1 1174 . 15 1 1 A 95 95 ALA HA H 95 4.161 4.343 -0.182 1
1 1178 . 15 1 1 A 95 95 ALA C C 95 176.285 177.872 -1.587 1
1 1179 . 15 1 1 A 95 95 ALA CA C 95 51.847 52.273 -0.426 1
1 1180 . 15 1 1 A 95 95 ALA CB C 95 18.999 20.205 -1.206 1
1 1181 . 15 1 1 A 95 95 ALA N N 95 126.311 128.569 -2.258 1
1 1182 . 15 1 1 A 96 96 GLN H H 96 8.324 8.632 -0.308 1
1 1183 . 15 1 1 A 96 96 GLN HA H 96 4.175 4.220 -0.045 1
1 1190 . 15 1 1 A 96 96 GLN C C 96 176.230 176.056 0.174 1
1 1191 . 15 1 1 A 96 96 GLN CA C 96 54.621 57.582 -2.961 1
1 1192 . 15 1 1 A 96 96 GLN CB C 96 30.003 28.700 1.303 1
1 1194 . 15 1 1 A 96 96 GLN N N 96 116.920 119.189 -2.269 1
1 1196 . 15 1 1 A 97 97 ASN H H 97 8.512 7.802 0.710 1
1 1197 . 15 1 1 A 97 97 ASN HA H 97 4.436 4.768 -0.332 1
1 1200 . 15 1 1 A 97 97 ASN CA C 97 52.928 51.028 1.900 1
1 1201 . 15 1 1 A 97 97 ASN CB C 97 37.851 40.828 -2.977 1
1 1202 . 15 1 1 A 97 97 ASN N N 97 119.656 112.083 7.573 1
1 1203 . 15 1 1 A 98 98 PRO HA H 98 4.566 4.340 0.226 1
1 1210 . 15 1 1 A 98 98 PRO C C 98 175.164 175.823 -0.659 1
1 1211 . 15 1 1 A 98 98 PRO CA C 98 63.824 63.629 0.195 1
1 1212 . 15 1 1 A 98 98 PRO CB C 98 32.473 32.285 0.188 1
1 1215 . 15 1 1 A 99 99 TYR H H 99 8.780 7.356 1.424 1
1 1216 . 15 1 1 A 99 99 TYR HA H 99 4.996 4.734 0.262 1
1 1223 . 15 1 1 A 99 99 TYR C C 99 176.421 176.250 0.171 1
1 1224 . 15 1 1 A 99 99 TYR CA C 99 55.837 57.367 -1.530 1
1 1225 . 15 1 1 A 99 99 TYR CB C 99 37.199 37.943 -0.744 1
1 1230 . 15 1 1 A 99 99 TYR N N 99 127.975 119.668 8.307 1
1 1231 . 15 1 1 A 100 100 SER H H 100 7.655 8.072 -0.417 1
1 1232 . 15 1 1 A 100 100 SER HA H 100 4.274 4.404 -0.130 1
1 1235 . 15 1 1 A 100 100 SER C C 100 174.144 176.374 -2.230 1
1 1236 . 15 1 1 A 100 100 SER CA C 100 60.567 61.381 -0.814 1
1 1237 . 15 1 1 A 100 100 SER CB C 100 63.266 62.915 0.351 1
1 1238 . 15 1 1 A 100 100 SER N N 100 113.164 117.584 -4.420 1
1 1239 . 15 1 1 A 101 101 ASP H H 101 8.736 8.232 0.504 1
1 1240 . 15 1 1 A 101 101 ASP HA H 101 4.688 4.523 0.165 1
1 1243 . 15 1 1 A 101 101 ASP C C 101 175.535 176.613 -1.078 1
1 1244 . 15 1 1 A 101 101 ASP CA C 101 54.103 56.411 -2.308 1
1 1245 . 15 1 1 A 101 101 ASP CB C 101 40.098 40.529 -0.431 1
1 1246 . 15 1 1 A 101 101 ASP N N 101 118.476 120.612 -2.136 1
1 1247 . 15 1 1 A 102 102 GLU H H 102 8.127 8.396 -0.269 1
1 1248 . 15 1 1 A 102 102 GLU HA H 102 4.448 4.702 -0.254 1
1 1253 . 15 1 1 A 102 102 GLU CA C 102 54.963 55.460 -0.497 1
1 1254 . 15 1 1 A 102 102 GLU CB C 102 31.769 31.530 0.239 1
1 1256 . 15 1 1 A 102 102 GLU N N 102 119.744 117.672 2.072 1
1 1257 . 15 1 1 A 103 103 ILE H H 103 8.645 8.591 0.054 1
1 1258 . 15 1 1 A 103 103 ILE HA H 103 4.001 4.702 -0.701 1
1 1268 . 15 1 1 A 103 103 ILE C C 103 174.065 174.593 -0.528 1
1 1269 . 15 1 1 A 103 103 ILE CA C 103 60.418 60.876 -0.458 1
1 1270 . 15 1 1 A 103 103 ILE CB C 103 40.781 40.614 0.167 1
1 1274 . 15 1 1 A 103 103 ILE N N 103 121.388 120.769 0.619 1
1 1275 . 15 1 1 A 104 104 GLU H H 104 8.957 9.113 -0.156 1
1 1276 . 15 1 1 A 104 104 GLU HA H 104 5.099 4.564 0.535 1
1 1281 . 15 1 1 A 104 104 GLU C C 104 175.093 175.258 -0.165 1
1 1282 . 15 1 1 A 104 104 GLU CA C 104 54.898 56.350 -1.452 1
1 1283 . 15 1 1 A 104 104 GLU CB C 104 32.330 30.028 2.302 1
1 1285 . 15 1 1 A 104 104 GLU N N 104 125.935 128.470 -2.535 1
1 1286 . 15 1 1 A 105 105 THR H H 105 8.774 8.922 -0.148 1
1 1287 . 15 1 1 A 105 105 THR HA H 105 5.226 4.911 0.315 1
1 1292 . 15 1 1 A 105 105 THR C C 105 174.876 173.713 1.163 1
1 1293 . 15 1 1 A 105 105 THR CA C 105 61.469 62.228 -0.759 1
1 1294 . 15 1 1 A 105 105 THR CB C 105 70.382 69.853 0.529 1
1 1296 . 15 1 1 A 105 105 THR N N 105 127.200 121.332 5.868 1
1 1297 . 15 1 1 A 106 106 ILE H H 106 9.186 8.846 0.340 1
1 1298 . 15 1 1 A 106 106 ILE HA H 106 4.486 4.583 -0.097 1
1 1308 . 15 1 1 A 106 106 ILE C C 106 175.412 175.330 0.082 1
1 1309 . 15 1 1 A 106 106 ILE CA C 106 61.423 60.635 0.788 1
1 1310 . 15 1 1 A 106 106 ILE CB C 106 38.432 37.258 1.174 1
1 1313 . 15 1 1 A 106 106 ILE N N 106 107.991 128.278 -20.287 1
1 1314 . 15 1 1 A 107 107 ILE H H 107 8.431 8.397 0.034 1
1 1315 . 15 1 1 A 107 107 ILE HA H 107 4.239 4.424 -0.185 1
1 1325 . 15 1 1 A 107 107 ILE C C 107 173.805 174.661 -0.856 1
1 1326 . 15 1 1 A 107 107 ILE CA C 107 61.459 60.669 0.790 1
1 1327 . 15 1 1 A 107 107 ILE CB C 107 37.499 36.932 0.567 1
1 1331 . 15 1 1 A 107 107 ILE N N 107 129.202 128.437 0.765 1
1 1332 . 15 1 1 A 108 108 CYS H H 108 8.581 9.196 -0.615 1
1 1333 . 15 1 1 A 108 108 CYS HA H 108 5.298 5.135 0.163 1
1 1336 . 15 1 1 A 108 108 CYS C C 108 174.235 173.975 0.260 1
1 1337 . 15 1 1 A 108 108 CYS CA C 108 55.861 56.979 -1.118 1
1 1338 . 15 1 1 A 108 108 CYS CB C 108 31.110 30.590 0.520 1
1 1339 . 15 1 1 A 108 108 CYS N N 108 124.561 128.275 -3.714 1
1 1340 . 15 1 1 A 109 109 THR H H 109 8.701 8.890 -0.189 1
1 1341 . 15 1 1 A 109 109 THR HA H 109 4.733 4.449 0.284 1
1 1346 . 15 1 1 A 109 109 THR C C 109 174.927 173.943 0.984 1
1 1347 . 15 1 1 A 109 109 THR CA C 109 63.466 62.363 1.103 1
1 1348 . 15 1 1 A 109 109 THR CB C 109 69.636 69.687 -0.051 1
1 1350 . 15 1 1 A 109 109 THR N N 109 119.017 117.555 1.462 1
1 1351 . 15 1 1 A 110 110 ASN H H 110 8.527 9.074 -0.547 1
1 1352 . 15 1 1 A 110 110 ASN HA H 110 4.891 4.873 0.018 1
1 1357 . 15 1 1 A 110 110 ASN C C 110 174.829 175.511 -0.682 1
1 1358 . 15 1 1 A 110 110 ASN CA C 110 53.104 54.882 -1.778 1
1 1359 . 15 1 1 A 110 110 ASN CB C 110 39.813 40.222 -0.409 1
1 1360 . 15 1 1 A 110 110 ASN N N 110 122.861 121.579 1.282 1
1 1362 . 15 1 1 A 111 111 THR H H 111 8.159 8.315 -0.156 1
1 1363 . 15 1 1 A 111 111 THR HA H 111 4.407 4.221 0.186 1
1 1368 . 15 1 1 A 111 111 THR C C 111 174.189 174.295 -0.106 1
1 1369 . 15 1 1 A 111 111 THR CA C 111 61.900 62.954 -1.054 1
1 1370 . 15 1 1 A 111 111 THR CB C 111 69.400 66.543 2.857 1
1 1372 . 15 1 1 A 111 111 THR N N 111 114.879 113.123 1.756 1
1 1373 . 15 1 1 A 112 112 ASN H H 112 8.359 8.503 -0.144 1
1 1374 . 15 1 1 A 112 112 ASN N N 112 121.000 118.928 2.072 1
1 1375 . 15 1 1 A 117 117 SER C C 117 174.242 172.614 1.628 1
1 1376 . 15 1 1 A 117 117 SER CA C 117 58.557 57.026 1.531 1
1 1377 . 15 1 1 A 117 117 SER CB C 117 63.729 64.142 -0.413 1
1 1378 . 15 1 1 A 118 118 GLN H H 118 8.304 7.999 0.305 1
1 1379 . 15 1 1 A 118 118 GLN C C 118 174.889 174.227 0.662 1
1 1380 . 15 1 1 A 118 118 GLN CA C 118 55.764 54.230 1.534 1
1 1381 . 15 1 1 A 118 118 GLN CB C 118 29.659 31.390 -1.731 1
1 1382 . 15 1 1 A 118 118 GLN N N 118 122.171 119.164 3.007 1
1 1 . 16 1 1 A 2 2 ALA HA H 2 4.298 4.396 -0.098 1
1 5 . 16 1 1 A 2 2 ALA CA C 2 53.448 52.434 1.014 1
1 6 . 16 1 1 A 2 2 ALA CB C 2 19.236 20.754 -1.518 1
1 7 . 16 1 1 A 3 3 MET H H 3 8.518 8.106 0.412 1
1 12 . 16 1 1 A 3 3 MET N N 3 117.762 116.925 0.837 1
1 13 . 16 1 1 A 4 4 ASP CA C 4 54.632 53.423 1.209 1
1 14 . 16 1 1 A 4 4 ASP CB C 4 41.102 43.129 -2.027 1
1 15 . 16 1 1 A 5 5 ASN H H 5 8.332 8.674 -0.342 1
1 18 . 16 1 1 A 5 5 ASN CA C 5 53.361 54.920 -1.559 1
1 19 . 16 1 1 A 5 5 ASN CB C 5 38.775 38.624 0.151 1
1 20 . 16 1 1 A 5 5 ASN N N 5 118.200 122.609 -4.409 1
1 22 . 16 1 1 A 6 6 VAL H H 6 7.939 7.820 0.119 1
1 23 . 16 1 1 A 6 6 VAL HA H 6 4.142 4.457 -0.315 1
1 31 . 16 1 1 A 6 6 VAL CA C 6 62.634 59.794 2.840 1
1 32 . 16 1 1 A 6 6 VAL CB C 6 32.598 33.520 -0.922 1
1 35 . 16 1 1 A 6 6 VAL N N 6 120.396 116.557 3.839 1
1 36 . 16 1 1 A 7 7 CYS H H 7 8.304 8.650 -0.346 1
1 37 . 16 1 1 A 7 7 CYS CA C 7 56.095 62.451 -6.356 1
1 38 . 16 1 1 A 7 7 CYS CB C 7 32.967 27.389 5.578 1
1 39 . 16 1 1 A 7 7 CYS N N 7 124.774 124.341 0.433 1
1 40 . 16 1 1 A 9 9 PRO HA H 9 4.547 4.813 -0.266 1
1 46 . 16 1 1 A 9 9 PRO C C 9 176.493 175.754 0.739 1
1 47 . 16 1 1 A 9 9 PRO CA C 9 63.142 62.398 0.744 1
1 48 . 16 1 1 A 9 9 PRO CB C 9 32.554 33.187 -0.633 1
1 51 . 16 1 1 A 10 10 THR H H 10 8.368 8.778 -0.410 1
1 52 . 16 1 1 A 10 10 THR HA H 10 4.418 4.481 -0.063 1
1 57 . 16 1 1 A 10 10 THR C C 10 172.743 173.645 -0.902 1
1 58 . 16 1 1 A 10 10 THR CA C 10 61.197 62.935 -1.738 1
1 59 . 16 1 1 A 10 10 THR CB C 10 69.660 71.418 -1.758 1
1 61 . 16 1 1 A 10 10 THR N N 10 112.513 113.764 -1.251 1
1 62 . 16 1 1 A 11 11 GLU H H 11 7.813 7.952 -0.139 1
1 63 . 16 1 1 A 11 11 GLU HA H 11 5.549 5.136 0.413 1
1 68 . 16 1 1 A 11 11 GLU C C 11 173.062 174.188 -1.126 1
1 69 . 16 1 1 A 11 11 GLU CA C 11 53.855 55.509 -1.654 1
1 70 . 16 1 1 A 11 11 GLU CB C 11 33.820 32.801 1.019 1
1 72 . 16 1 1 A 11 11 GLU N N 11 119.491 116.413 3.078 1
1 73 . 16 1 1 A 12 12 PHE H H 12 8.198 8.834 -0.636 1
1 74 . 16 1 1 A 12 12 PHE HA H 12 5.014 5.789 -0.775 1
1 82 . 16 1 1 A 12 12 PHE C C 12 171.976 173.453 -1.477 1
1 83 . 16 1 1 A 12 12 PHE CA C 12 55.597 55.321 0.276 1
1 84 . 16 1 1 A 12 12 PHE CB C 12 42.384 42.129 0.255 1
1 90 . 16 1 1 A 12 12 PHE N N 12 111.146 117.209 -6.063 1
1 91 . 16 1 1 A 13 13 ILE H H 13 8.655 8.581 0.074 1
1 92 . 16 1 1 A 13 13 ILE HA H 13 4.165 4.452 -0.287 1
1 102 . 16 1 1 A 13 13 ILE C C 13 173.432 174.991 -1.559 1
1 103 . 16 1 1 A 13 13 ILE CA C 13 62.270 61.966 0.304 1
1 104 . 16 1 1 A 13 13 ILE CB C 13 39.957 36.913 3.044 1
1 108 . 16 1 1 A 13 13 ILE N N 13 121.427 124.612 -3.185 1
1 109 . 16 1 1 A 14 14 SER H H 14 8.034 8.973 -0.939 1
1 110 . 16 1 1 A 14 14 SER HA H 14 5.588 5.142 0.446 1
1 113 . 16 1 1 A 14 14 SER C C 14 173.429 173.430 -0.001 1
1 114 . 16 1 1 A 14 14 SER CA C 14 56.650 56.477 0.173 1
1 115 . 16 1 1 A 14 14 SER CB C 14 70.177 64.754 5.423 1
1 116 . 16 1 1 A 14 14 SER N N 14 121.358 123.617 -2.259 1
1 117 . 16 1 1 A 15 15 ARG H H 15 9.545 8.990 0.555 1
1 118 . 16 1 1 A 15 15 ARG HA H 15 5.826 4.784 1.042 1
1 126 . 16 1 1 A 15 15 ARG C C 15 176.042 175.682 0.360 1
1 127 . 16 1 1 A 15 15 ARG CA C 15 55.105 55.517 -0.412 1
1 128 . 16 1 1 A 15 15 ARG CB C 15 35.587 32.541 3.046 1
1 131 . 16 1 1 A 15 15 ARG N N 15 118.317 127.337 -9.020 1
1 133 . 16 1 1 A 16 16 HIS H H 16 8.730 8.242 0.488 1
1 134 . 16 1 1 A 16 16 HIS HA H 16 5.555 5.499 0.056 1
1 141 . 16 1 1 A 16 16 HIS C C 16 174.062 173.056 1.006 1
1 142 . 16 1 1 A 16 16 HIS CA C 16 54.057 54.403 -0.346 1
1 143 . 16 1 1 A 16 16 HIS CB C 16 31.334 31.451 -0.117 1
1 146 . 16 1 1 A 16 16 HIS N N 16 117.425 117.403 0.022 1
1 148 . 16 1 1 A 17 17 ASN H H 17 8.201 8.607 -0.406 1
1 149 . 16 1 1 A 17 17 ASN HA H 17 4.897 4.941 -0.044 1
1 154 . 16 1 1 A 17 17 ASN C C 17 178.263 175.661 2.602 1
1 155 . 16 1 1 A 17 17 ASN CA C 17 51.104 51.483 -0.379 1
1 156 . 16 1 1 A 17 17 ASN CB C 17 38.469 39.206 -0.737 1
1 157 . 16 1 1 A 17 17 ASN N N 17 116.276 117.879 -1.603 1
1 159 . 16 1 1 A 18 18 ILE H H 18 8.774 8.810 -0.036 1
1 160 . 16 1 1 A 18 18 ILE HA H 18 3.795 3.913 -0.118 1
1 170 . 16 1 1 A 18 18 ILE C C 18 174.851 177.814 -2.963 1
1 171 . 16 1 1 A 18 18 ILE CA C 18 64.399 64.106 0.293 1
1 172 . 16 1 1 A 18 18 ILE CB C 18 38.072 37.864 0.208 1
1 176 . 16 1 1 A 18 18 ILE N N 18 120.001 120.208 -0.207 1
1 177 . 16 1 1 A 19 19 GLU H H 19 7.213 7.848 -0.635 1
1 178 . 16 1 1 A 19 19 GLU HA H 19 4.225 4.111 0.114 1
1 183 . 16 1 1 A 19 19 GLU CA C 19 57.145 56.814 0.331 1
1 184 . 16 1 1 A 19 19 GLU CB C 19 29.878 29.786 0.092 1
1 186 . 16 1 1 A 19 19 GLU N N 19 116.538 119.909 -3.371 1
1 187 . 16 1 1 A 20 20 GLY H H 20 7.845 7.838 0.007 1
1 188 . 16 1 1 A 20 20 GLY HA2 H 20 4.878 2.808 2.070 1
1 189 . 16 1 1 A 20 20 GLY HA3 H 20 2.886 3.622 -0.736 1
1 190 . 16 1 1 A 20 20 GLY C C 20 172.992 174.093 -1.101 1
1 191 . 16 1 1 A 20 20 GLY CA C 20 44.049 44.310 -0.261 1
1 192 . 16 1 1 A 20 20 GLY N N 20 104.883 106.158 -1.275 1
1 193 . 16 1 1 A 21 21 ILE H H 21 7.841 7.569 0.272 1
1 194 . 16 1 1 A 21 21 ILE HA H 21 3.995 4.100 -0.105 1
1 204 . 16 1 1 A 21 21 ILE C C 21 176.915 175.469 1.446 1
1 205 . 16 1 1 A 21 21 ILE CA C 21 60.302 61.670 -1.368 1
1 206 . 16 1 1 A 21 21 ILE CB C 21 36.111 37.998 -1.887 1
1 210 . 16 1 1 A 21 21 ILE N N 21 120.855 122.651 -1.796 1
1 211 . 16 1 1 A 22 22 PHE H H 22 8.896 8.665 0.231 1
1 212 . 16 1 1 A 22 22 PHE HA H 22 5.052 5.037 0.015 1
1 220 . 16 1 1 A 22 22 PHE C C 22 177.971 176.183 1.788 1
1 221 . 16 1 1 A 22 22 PHE CA C 22 59.625 58.808 0.817 1
1 222 . 16 1 1 A 22 22 PHE CB C 22 39.984 38.834 1.150 1
1 228 . 16 1 1 A 22 22 PHE N N 22 125.849 128.539 -2.690 1
1 229 . 16 1 1 A 23 23 THR H H 23 9.771 8.744 1.027 1
1 230 . 16 1 1 A 23 23 THR HA H 23 4.403 4.486 -0.083 1
1 235 . 16 1 1 A 23 23 THR C C 23 175.589 174.482 1.107 1
1 236 . 16 1 1 A 23 23 THR CA C 23 61.611 62.289 -0.678 1
1 237 . 16 1 1 A 23 23 THR CB C 23 69.193 69.112 0.081 1
1 239 . 16 1 1 A 23 23 THR N N 23 117.677 115.509 2.168 1
1 240 . 16 1 1 A 24 24 PHE H H 24 7.948 7.412 0.536 1
1 241 . 16 1 1 A 24 24 PHE HA H 24 4.483 4.777 -0.294 1
1 249 . 16 1 1 A 24 24 PHE C C 24 173.376 173.244 0.132 1
1 250 . 16 1 1 A 24 24 PHE CA C 24 59.142 58.228 0.914 1
1 251 . 16 1 1 A 24 24 PHE CB C 24 42.161 42.458 -0.297 1
1 257 . 16 1 1 A 24 24 PHE N N 24 123.378 121.189 2.189 1
1 258 . 16 1 1 A 25 25 VAL H H 25 7.340 7.428 -0.088 1
1 259 . 16 1 1 A 25 25 VAL HA H 25 4.166 4.258 -0.092 1
1 267 . 16 1 1 A 25 25 VAL C C 25 173.103 173.546 -0.443 1
1 268 . 16 1 1 A 25 25 VAL CA C 25 61.539 60.381 1.158 1
1 269 . 16 1 1 A 25 25 VAL CB C 25 35.683 34.923 0.760 1
1 272 . 16 1 1 A 25 25 VAL N N 25 124.777 123.815 0.962 1
1 273 . 16 1 1 A 26 26 ASP H H 26 7.942 8.335 -0.393 1
1 274 . 16 1 1 A 26 26 ASP HA H 26 4.466 4.370 0.096 1
1 277 . 16 1 1 A 26 26 ASP C C 26 175.258 177.040 -1.782 1
1 278 . 16 1 1 A 26 26 ASP CA C 26 53.318 54.052 -0.734 1
1 279 . 16 1 1 A 26 26 ASP CB C 26 42.461 41.992 0.469 1
1 280 . 16 1 1 A 26 26 ASP N N 26 125.573 126.410 -0.837 1
1 281 . 16 1 1 A 27 27 HIS H H 27 8.115 8.048 0.067 1
1 282 . 16 1 1 A 27 27 HIS HA H 27 4.222 4.098 0.124 1
1 286 . 16 1 1 A 27 27 HIS C C 27 177.268 176.551 0.717 1
1 287 . 16 1 1 A 27 27 HIS CA C 27 59.164 58.722 0.442 1
1 288 . 16 1 1 A 27 27 HIS CB C 27 30.374 29.185 1.189 1
1 290 . 16 1 1 A 27 27 HIS N N 27 117.576 123.808 -6.232 1
1 291 . 16 1 1 A 28 28 ARG H H 28 8.724 8.392 0.332 1
1 292 . 16 1 1 A 28 28 ARG HA H 28 4.210 3.944 0.266 1
1 300 . 16 1 1 A 28 28 ARG C C 28 177.838 178.953 -1.115 1
1 301 . 16 1 1 A 28 28 ARG CA C 28 58.199 59.697 -1.498 1
1 302 . 16 1 1 A 28 28 ARG CB C 28 29.815 29.714 0.101 1
1 305 . 16 1 1 A 28 28 ARG N N 28 122.414 121.160 1.254 1
1 307 . 16 1 1 A 29 29 CYS H H 29 8.102 8.314 -0.212 1
1 308 . 16 1 1 A 29 29 CYS HA H 29 3.124 3.171 -0.047 1
1 311 . 16 1 1 A 29 29 CYS C C 29 175.551 177.035 -1.484 1
1 312 . 16 1 1 A 29 29 CYS CA C 29 59.988 60.943 -0.955 1
1 313 . 16 1 1 A 29 29 CYS CB C 29 25.101 26.234 -1.133 1
1 314 . 16 1 1 A 29 29 CYS N N 29 119.987 117.460 2.527 1
1 315 . 16 1 1 A 30 30 VAL H H 30 7.139 7.311 -0.172 1
1 316 . 16 1 1 A 30 30 VAL HA H 30 3.373 3.681 -0.308 1
1 324 . 16 1 1 A 30 30 VAL C C 30 178.225 178.032 0.193 1
1 325 . 16 1 1 A 30 30 VAL CA C 30 65.903 64.314 1.589 1
1 326 . 16 1 1 A 30 30 VAL CB C 30 31.446 31.547 -0.101 1
1 329 . 16 1 1 A 30 30 VAL N N 30 125.016 119.184 5.832 1
1 330 . 16 1 1 A 31 31 ALA H H 31 7.393 7.646 -0.253 1
1 331 . 16 1 1 A 31 31 ALA HA H 31 4.126 4.137 -0.011 1
1 335 . 16 1 1 A 31 31 ALA C C 31 178.111 179.885 -1.774 1
1 336 . 16 1 1 A 31 31 ALA CA C 31 53.715 54.345 -0.630 1
1 337 . 16 1 1 A 31 31 ALA CB C 31 19.223 18.554 0.669 1
1 338 . 16 1 1 A 31 31 ALA N N 31 120.554 124.199 -3.645 1
1 339 . 16 1 1 A 32 32 THR H H 32 7.253 7.883 -0.630 1
1 340 . 16 1 1 A 32 32 THR HA H 32 4.116 4.079 0.037 1
1 345 . 16 1 1 A 32 32 THR C C 32 175.655 176.019 -0.364 1
1 346 . 16 1 1 A 32 32 THR CA C 32 64.727 65.729 -1.002 1
1 347 . 16 1 1 A 32 32 THR CB C 32 69.144 69.323 -0.179 1
1 349 . 16 1 1 A 32 32 THR N N 32 109.150 113.864 -4.714 1
1 350 . 16 1 1 A 33 33 VAL H H 33 7.939 7.722 0.217 1
1 351 . 16 1 1 A 33 33 VAL HA H 33 4.504 4.340 0.164 1
1 359 . 16 1 1 A 33 33 VAL C C 33 175.594 176.234 -0.640 1
1 360 . 16 1 1 A 33 33 VAL CA C 33 60.596 60.521 0.075 1
1 361 . 16 1 1 A 33 33 VAL CB C 33 34.900 31.460 3.440 1
1 364 . 16 1 1 A 33 33 VAL N N 33 108.519 113.173 -4.654 1
1 365 . 16 1 1 A 34 34 GLY H H 34 7.439 7.798 -0.359 1
1 366 . 16 1 1 A 34 34 GLY HA2 H 34 4.099 3.694 0.405 1
1 367 . 16 1 1 A 34 34 GLY HA3 H 34 3.846 3.798 0.048 1
1 368 . 16 1 1 A 34 34 GLY C C 34 173.655 173.487 0.168 1
1 369 . 16 1 1 A 34 34 GLY CA C 34 46.538 45.426 1.112 1
1 370 . 16 1 1 A 34 34 GLY N N 34 109.672 110.097 -0.425 1
1 371 . 16 1 1 A 35 35 TYR H H 35 6.215 7.484 -1.269 1
1 372 . 16 1 1 A 35 35 TYR HA H 35 4.415 4.890 -0.475 1
1 379 . 16 1 1 A 35 35 TYR C C 35 174.492 175.246 -0.754 1
1 380 . 16 1 1 A 35 35 TYR CA C 35 57.289 58.878 -1.589 1
1 381 . 16 1 1 A 35 35 TYR CB C 35 40.784 38.009 2.775 1
1 386 . 16 1 1 A 35 35 TYR N N 35 117.067 119.991 -2.924 1
1 387 . 16 1 1 A 36 36 GLN H H 36 9.145 8.538 0.607 1
1 388 . 16 1 1 A 36 36 GLN HA H 36 4.285 4.243 0.042 1
1 393 . 16 1 1 A 36 36 GLN CA C 36 53.760 54.665 -0.905 1
1 394 . 16 1 1 A 36 36 GLN CB C 36 27.558 28.522 -0.964 1
1 396 . 16 1 1 A 36 36 GLN N N 36 117.664 123.966 -6.302 1
1 397 . 16 1 1 A 37 37 PRO HA H 37 3.755 4.021 -0.266 1
1 404 . 16 1 1 A 37 37 PRO C C 37 178.629 178.214 0.415 1
1 405 . 16 1 1 A 37 37 PRO CA C 37 66.415 65.749 0.666 1
1 406 . 16 1 1 A 37 37 PRO CB C 37 31.313 31.628 -0.315 1
1 409 . 16 1 1 A 38 38 GLN H H 38 8.870 8.801 0.069 1
1 410 . 16 1 1 A 38 38 GLN HA H 38 3.996 4.068 -0.072 1
1 415 . 16 1 1 A 38 38 GLN C C 38 177.121 177.711 -0.590 1
1 416 . 16 1 1 A 38 38 GLN CA C 38 58.468 58.526 -0.058 1
1 417 . 16 1 1 A 38 38 GLN CB C 38 27.259 27.700 -0.441 1
1 419 . 16 1 1 A 38 38 GLN N N 38 113.031 115.362 -2.331 1
1 420 . 16 1 1 A 39 39 GLU H H 39 7.799 7.918 -0.119 1
1 421 . 16 1 1 A 39 39 GLU HA H 39 4.203 4.193 0.010 1
1 426 . 16 1 1 A 39 39 GLU C C 39 175.485 177.193 -1.708 1
1 427 . 16 1 1 A 39 39 GLU CA C 39 57.598 58.515 -0.917 1
1 428 . 16 1 1 A 39 39 GLU CB C 39 30.955 29.510 1.445 1
1 430 . 16 1 1 A 39 39 GLU N N 39 117.366 119.652 -2.286 1
1 431 . 16 1 1 A 40 40 LEU H H 40 7.001 7.294 -0.293 1
1 432 . 16 1 1 A 40 40 LEU HA H 40 4.205 4.525 -0.320 1
1 442 . 16 1 1 A 40 40 LEU C C 40 176.417 177.381 -0.964 1
1 443 . 16 1 1 A 40 40 LEU CA C 40 55.345 55.731 -0.386 1
1 444 . 16 1 1 A 40 40 LEU CB C 40 43.190 43.478 -0.288 1
1 448 . 16 1 1 A 40 40 LEU N N 40 116.615 118.438 -1.823 1
1 449 . 16 1 1 A 41 41 LEU H H 41 7.521 7.923 -0.402 1
1 450 . 16 1 1 A 41 41 LEU HA H 41 3.678 4.412 -0.734 1
1 460 . 16 1 1 A 41 41 LEU C C 41 177.754 177.964 -0.210 1
1 461 . 16 1 1 A 41 41 LEU CA C 41 57.050 57.306 -0.256 1
1 462 . 16 1 1 A 41 41 LEU CB C 41 42.155 41.641 0.514 1
1 466 . 16 1 1 A 41 41 LEU N N 41 117.814 121.194 -3.380 1
1 467 . 16 1 1 A 42 42 GLY H H 42 8.535 9.290 -0.755 1
1 468 . 16 1 1 A 42 42 GLY HA2 H 42 4.328 3.994 0.334 1
1 469 . 16 1 1 A 42 42 GLY HA3 H 42 3.601 3.995 -0.394 1
1 470 . 16 1 1 A 42 42 GLY C C 42 173.808 173.732 0.076 1
1 471 . 16 1 1 A 42 42 GLY CA C 42 45.689 45.402 0.287 1
1 472 . 16 1 1 A 42 42 GLY N N 42 110.496 112.009 -1.513 1
1 473 . 16 1 1 A 43 43 LYS H H 43 8.398 8.157 0.241 1
1 474 . 16 1 1 A 43 43 LYS HA H 43 4.680 4.622 0.058 1
1 483 . 16 1 1 A 43 43 LYS C C 43 173.943 175.344 -1.401 1
1 484 . 16 1 1 A 43 43 LYS CA C 43 54.361 54.520 -0.159 1
1 485 . 16 1 1 A 43 43 LYS CB C 43 33.960 34.555 -0.595 1
1 489 . 16 1 1 A 43 43 LYS N N 43 120.461 120.741 -0.280 1
1 490 . 16 1 1 A 44 44 ASN H H 44 8.892 8.282 0.610 1
1 491 . 16 1 1 A 44 44 ASN HA H 44 4.690 4.602 0.088 1
1 496 . 16 1 1 A 44 44 ASN C C 44 176.922 175.632 1.290 1
1 497 . 16 1 1 A 44 44 ASN CA C 44 52.256 53.178 -0.922 1
1 498 . 16 1 1 A 44 44 ASN CB C 44 40.451 39.495 0.956 1
1 499 . 16 1 1 A 44 44 ASN N N 44 119.869 121.771 -1.902 1
1 501 . 16 1 1 A 45 45 ILE H H 45 8.543 8.293 0.250 1
1 502 . 16 1 1 A 45 45 ILE HA H 45 3.887 3.631 0.256 1
1 511 . 16 1 1 A 45 45 ILE C C 45 176.137 177.030 -0.893 1
1 512 . 16 1 1 A 45 45 ILE CA C 45 65.116 64.217 0.899 1
1 513 . 16 1 1 A 45 45 ILE CB C 45 36.637 37.574 -0.937 1
1 517 . 16 1 1 A 45 45 ILE N N 45 129.131 127.279 1.852 1
1 518 . 16 1 1 A 46 46 VAL H H 46 9.059 7.228 1.831 1
1 519 . 16 1 1 A 46 46 VAL HA H 46 3.439 3.710 -0.271 1
1 527 . 16 1 1 A 46 46 VAL C C 46 178.407 178.093 0.314 1
1 528 . 16 1 1 A 46 46 VAL CA C 46 65.705 65.391 0.314 1
1 529 . 16 1 1 A 46 46 VAL CB C 46 31.022 31.160 -0.138 1
1 532 . 16 1 1 A 46 46 VAL N N 46 118.981 117.780 1.201 1
1 533 . 16 1 1 A 47 47 GLU H H 47 7.923 8.399 -0.476 1
1 534 . 16 1 1 A 47 47 GLU HA H 47 3.989 3.908 0.081 1
1 539 . 16 1 1 A 47 47 GLU C C 47 177.664 178.674 -1.010 1
1 540 . 16 1 1 A 47 47 GLU CA C 47 57.999 59.154 -1.155 1
1 541 . 16 1 1 A 47 47 GLU CB C 47 28.849 29.059 -0.210 1
1 543 . 16 1 1 A 47 47 GLU N N 47 117.733 120.910 -3.177 1
1 544 . 16 1 1 A 48 48 PHE H H 48 7.689 7.435 0.254 1
1 545 . 16 1 1 A 48 48 PHE HA H 48 4.177 4.229 -0.052 1
1 553 . 16 1 1 A 48 48 PHE C C 48 172.739 175.875 -3.136 1
1 554 . 16 1 1 A 48 48 PHE CA C 48 57.725 59.773 -2.048 1
1 555 . 16 1 1 A 48 48 PHE CB C 48 39.428 39.295 0.133 1
1 561 . 16 1 1 A 48 48 PHE N N 48 117.768 115.681 2.087 1
1 562 . 16 1 1 A 49 49 CYS H H 49 7.413 7.282 0.131 1
1 563 . 16 1 1 A 49 49 CYS HA H 49 5.671 4.937 0.734 1
1 566 . 16 1 1 A 49 49 CYS CA C 49 56.429 60.101 -3.672 1
1 567 . 16 1 1 A 49 49 CYS CB C 49 28.747 28.174 0.573 1
1 568 . 16 1 1 A 49 49 CYS N N 49 119.705 118.368 1.337 1
1 569 . 16 1 1 A 50 50 HIS H H 50 8.640 8.699 -0.059 1
1 570 . 16 1 1 A 50 50 HIS HA H 50 3.655 4.044 -0.389 1
1 574 . 16 1 1 A 50 50 HIS CA C 50 56.934 54.779 2.155 1
1 575 . 16 1 1 A 50 50 HIS CB C 50 32.071 30.348 1.723 1
1 577 . 16 1 1 A 50 50 HIS N N 50 134.180 124.903 9.277 1
1 578 . 16 1 1 A 51 51 PRO HA H 51 4.044 4.164 -0.120 1
1 584 . 16 1 1 A 51 51 PRO C C 51 179.121 179.016 0.105 1
1 585 . 16 1 1 A 51 51 PRO CA C 51 65.989 66.119 -0.130 1
1 586 . 16 1 1 A 51 51 PRO CB C 51 32.605 31.615 0.990 1
1 589 . 16 1 1 A 52 52 GLU H H 52 10.986 8.652 2.334 1
1 590 . 16 1 1 A 52 52 GLU HA H 52 4.125 4.101 0.024 1
1 595 . 16 1 1 A 52 52 GLU C C 52 177.643 177.270 0.373 1
1 596 . 16 1 1 A 52 52 GLU CA C 52 58.522 59.108 -0.586 1
1 597 . 16 1 1 A 52 52 GLU CB C 52 29.347 29.042 0.305 1
1 599 . 16 1 1 A 52 52 GLU N N 52 119.351 117.647 1.704 1
1 600 . 16 1 1 A 53 53 ASP H H 53 8.203 8.114 0.089 1
1 601 . 16 1 1 A 53 53 ASP HA H 53 4.898 4.692 0.206 1
1 604 . 16 1 1 A 53 53 ASP C C 53 175.641 177.008 -1.367 1
1 605 . 16 1 1 A 53 53 ASP CA C 53 54.092 54.383 -0.291 1
1 606 . 16 1 1 A 53 53 ASP CB C 53 43.596 41.891 1.705 1
1 607 . 16 1 1 A 53 53 ASP N N 53 117.757 116.790 0.967 1
1 608 . 16 1 1 A 54 54 GLN H H 54 6.922 7.991 -1.069 1
1 609 . 16 1 1 A 54 54 GLN HA H 54 3.985 3.964 0.021 1
1 616 . 16 1 1 A 54 54 GLN C C 54 177.417 178.480 -1.063 1
1 617 . 16 1 1 A 54 54 GLN CA C 54 60.084 58.574 1.510 1
1 618 . 16 1 1 A 54 54 GLN CB C 54 28.448 28.389 0.059 1
1 620 . 16 1 1 A 54 54 GLN N N 54 118.680 119.163 -0.483 1
1 622 . 16 1 1 A 55 55 GLN H H 55 8.663 7.905 0.758 1
1 623 . 16 1 1 A 55 55 GLN HA H 55 3.778 4.071 -0.293 1
1 630 . 16 1 1 A 55 55 GLN C C 55 177.398 178.014 -0.616 1
1 631 . 16 1 1 A 55 55 GLN CA C 55 58.812 58.432 0.380 1
1 632 . 16 1 1 A 55 55 GLN CB C 55 27.402 28.347 -0.945 1
1 634 . 16 1 1 A 55 55 GLN N N 55 119.173 120.201 -1.028 1
1 636 . 16 1 1 A 56 56 LEU H H 56 7.935 7.739 0.196 1
1 637 . 16 1 1 A 56 56 LEU HA H 56 4.071 4.080 -0.009 1
1 647 . 16 1 1 A 56 56 LEU C C 56 180.037 178.081 1.956 1
1 648 . 16 1 1 A 56 56 LEU CA C 56 57.698 57.317 0.381 1
1 649 . 16 1 1 A 56 56 LEU CB C 56 41.586 42.260 -0.674 1
1 653 . 16 1 1 A 56 56 LEU N N 56 119.661 120.639 -0.978 1
1 654 . 16 1 1 A 57 57 LEU H H 57 7.382 7.912 -0.530 1
1 655 . 16 1 1 A 57 57 LEU HA H 57 3.575 3.669 -0.094 1
1 665 . 16 1 1 A 57 57 LEU C C 57 178.470 178.253 0.217 1
1 666 . 16 1 1 A 57 57 LEU CA C 57 57.703 58.067 -0.364 1
1 667 . 16 1 1 A 57 57 LEU CB C 57 42.077 41.515 0.562 1
1 671 . 16 1 1 A 57 57 LEU N N 57 119.857 120.016 -0.159 1
1 672 . 16 1 1 A 58 58 ARG H H 58 8.118 8.355 -0.237 1
1 673 . 16 1 1 A 58 58 ARG HA H 58 3.338 3.860 -0.522 1
1 680 . 16 1 1 A 58 58 ARG C C 58 179.713 178.691 1.022 1
1 681 . 16 1 1 A 58 58 ARG CA C 58 60.120 59.591 0.529 1
1 682 . 16 1 1 A 58 58 ARG CB C 58 30.320 29.841 0.479 1
1 685 . 16 1 1 A 58 58 ARG N N 58 118.198 117.842 0.356 1
1 686 . 16 1 1 A 59 59 ASP H H 59 8.748 8.029 0.719 1
1 687 . 16 1 1 A 59 59 ASP HA H 59 4.336 4.272 0.064 1
1 690 . 16 1 1 A 59 59 ASP C C 59 179.130 178.014 1.116 1
1 691 . 16 1 1 A 59 59 ASP CA C 59 57.197 57.569 -0.372 1
1 692 . 16 1 1 A 59 59 ASP CB C 59 40.212 41.824 -1.612 1
1 693 . 16 1 1 A 59 59 ASP N N 59 119.165 119.838 -0.673 1
1 694 . 16 1 1 A 60 60 SER H H 60 7.552 8.113 -0.561 1
1 695 . 16 1 1 A 60 60 SER HA H 60 4.116 4.149 -0.033 1
1 698 . 16 1 1 A 60 60 SER C C 60 175.883 177.256 -1.373 1
1 699 . 16 1 1 A 60 60 SER CA C 60 61.975 61.248 0.727 1
1 700 . 16 1 1 A 60 60 SER CB C 60 63.098 61.837 1.261 1
1 701 . 16 1 1 A 60 60 SER N N 60 117.761 115.116 2.645 1
1 702 . 16 1 1 A 61 61 PHE H H 61 7.063 7.424 -0.361 1
1 703 . 16 1 1 A 61 61 PHE HA H 61 4.614 4.374 0.240 1
1 711 . 16 1 1 A 61 61 PHE C C 61 177.561 178.393 -0.832 1
1 712 . 16 1 1 A 61 61 PHE CA C 61 56.777 61.909 -5.132 1
1 713 . 16 1 1 A 61 61 PHE CB C 61 36.564 38.351 -1.787 1
1 719 . 16 1 1 A 61 61 PHE N N 61 122.009 119.104 2.905 1
1 720 . 16 1 1 A 62 62 GLN H H 62 7.376 8.331 -0.955 1
1 721 . 16 1 1 A 62 62 GLN HA H 62 4.038 4.042 -0.004 1
1 726 . 16 1 1 A 62 62 GLN C C 62 179.093 178.775 0.318 1
1 727 . 16 1 1 A 62 62 GLN CA C 62 58.240 59.182 -0.942 1
1 728 . 16 1 1 A 62 62 GLN CB C 62 28.094 28.225 -0.131 1
1 730 . 16 1 1 A 62 62 GLN N N 62 114.929 118.543 -3.614 1
1 731 . 16 1 1 A 63 63 GLN H H 63 7.893 7.869 0.024 1
1 732 . 16 1 1 A 63 63 GLN HA H 63 4.083 4.187 -0.104 1
1 737 . 16 1 1 A 63 63 GLN C C 63 178.244 178.429 -0.185 1
1 738 . 16 1 1 A 63 63 GLN CA C 63 58.408 58.228 0.180 1
1 739 . 16 1 1 A 63 63 GLN CB C 63 28.755 28.549 0.206 1
1 741 . 16 1 1 A 63 63 GLN N N 63 117.434 120.170 -2.736 1
1 742 . 16 1 1 A 64 64 VAL H H 64 8.220 8.048 0.172 1
1 743 . 16 1 1 A 64 64 VAL HA H 64 3.663 4.042 -0.379 1
1 751 . 16 1 1 A 64 64 VAL C C 64 177.137 177.970 -0.833 1
1 752 . 16 1 1 A 64 64 VAL CA C 64 66.107 65.586 0.521 1
1 753 . 16 1 1 A 64 64 VAL CB C 64 31.475 31.515 -0.040 1
1 756 . 16 1 1 A 64 64 VAL N N 64 118.766 117.499 1.267 1
1 757 . 16 1 1 A 65 65 VAL H H 65 6.860 7.589 -0.729 1
1 758 . 16 1 1 A 65 65 VAL HA H 65 3.833 3.943 -0.110 1
1 766 . 16 1 1 A 65 65 VAL C C 65 177.624 177.739 -0.115 1
1 767 . 16 1 1 A 65 65 VAL CA C 65 64.200 64.568 -0.368 1
1 768 . 16 1 1 A 65 65 VAL CB C 65 31.730 31.738 -0.008 1
1 771 . 16 1 1 A 65 65 VAL N N 65 112.590 122.388 -9.798 1
1 772 . 16 1 1 A 66 66 LYS H H 66 7.431 7.771 -0.340 1
1 773 . 16 1 1 A 66 66 LYS HA H 66 4.184 4.119 0.065 1
1 782 . 16 1 1 A 66 66 LYS C C 66 177.374 178.097 -0.723 1
1 783 . 16 1 1 A 66 66 LYS CA C 66 58.190 59.294 -1.104 1
1 784 . 16 1 1 A 66 66 LYS CB C 66 33.232 32.572 0.660 1
1 788 . 16 1 1 A 66 66 LYS N N 66 119.643 121.858 -2.215 1
1 789 . 16 1 1 A 67 67 LEU H H 67 7.859 8.080 -0.221 1
1 790 . 16 1 1 A 67 67 LEU HA H 67 4.552 4.340 0.212 1
1 800 . 16 1 1 A 67 67 LEU C C 67 175.532 175.848 -0.316 1
1 801 . 16 1 1 A 67 67 LEU CA C 67 53.108 55.074 -1.966 1
1 802 . 16 1 1 A 67 67 LEU CB C 67 40.979 41.865 -0.886 1
1 806 . 16 1 1 A 67 67 LEU N N 67 121.288 117.816 3.472 1
1 807 . 16 1 1 A 68 68 LYS H H 68 7.475 8.141 -0.666 1
1 808 . 16 1 1 A 68 68 LYS HA H 68 4.156 4.215 -0.059 1
1 817 . 16 1 1 A 68 68 LYS C C 68 177.987 175.772 2.215 1
1 818 . 16 1 1 A 68 68 LYS CA C 68 58.388 57.266 1.122 1
1 819 . 16 1 1 A 68 68 LYS CB C 68 32.207 31.609 0.598 1
1 823 . 16 1 1 A 68 68 LYS N N 68 119.626 118.048 1.578 1
1 824 . 16 1 1 A 69 69 GLY H H 69 8.696 8.150 0.546 1
1 825 . 16 1 1 A 69 69 GLY HA2 H 69 4.294 4.036 0.258 1
1 826 . 16 1 1 A 69 69 GLY HA3 H 69 3.896 4.039 -0.143 1
1 827 . 16 1 1 A 69 69 GLY CA C 69 45.335 45.123 0.212 1
1 828 . 16 1 1 A 69 69 GLY N N 69 113.681 112.033 1.648 1
1 829 . 16 1 1 A 70 70 GLN H H 70 8.031 7.920 0.111 1
1 830 . 16 1 1 A 70 70 GLN HA H 70 4.508 4.268 0.240 1
1 835 . 16 1 1 A 70 70 GLN C C 70 174.684 175.643 -0.959 1
1 836 . 16 1 1 A 70 70 GLN CA C 70 55.347 56.346 -0.999 1
1 837 . 16 1 1 A 70 70 GLN CB C 70 30.111 29.326 0.785 1
1 839 . 16 1 1 A 70 70 GLN N N 70 119.949 121.845 -1.896 1
1 840 . 16 1 1 A 71 71 VAL H H 71 8.232 8.598 -0.366 1
1 841 . 16 1 1 A 71 71 VAL HA H 71 4.822 4.707 0.115 1
1 849 . 16 1 1 A 71 71 VAL C C 71 176.406 175.382 1.024 1
1 850 . 16 1 1 A 71 71 VAL CA C 71 61.198 62.383 -1.185 1
1 851 . 16 1 1 A 71 71 VAL CB C 71 32.964 32.322 0.642 1
1 854 . 16 1 1 A 71 71 VAL N N 71 121.816 126.404 -4.588 1
1 855 . 16 1 1 A 72 72 LEU H H 72 9.052 8.915 0.137 1
1 856 . 16 1 1 A 72 72 LEU HA H 72 4.827 5.245 -0.418 1
1 865 . 16 1 1 A 72 72 LEU C C 72 175.411 175.798 -0.387 1
1 866 . 16 1 1 A 72 72 LEU CA C 72 52.895 53.594 -0.699 1
1 867 . 16 1 1 A 72 72 LEU CB C 72 44.755 45.414 -0.659 1
1 870 . 16 1 1 A 72 72 LEU N N 72 130.331 127.517 2.814 1
1 871 . 16 1 1 A 73 73 SER H H 73 8.057 8.957 -0.900 1
1 872 . 16 1 1 A 73 73 SER HA H 73 5.211 5.709 -0.498 1
1 875 . 16 1 1 A 73 73 SER C C 73 174.562 173.006 1.556 1
1 876 . 16 1 1 A 73 73 SER CA C 73 56.591 56.719 -0.128 1
1 877 . 16 1 1 A 73 73 SER CB C 73 66.336 64.992 1.344 1
1 878 . 16 1 1 A 73 73 SER N N 73 113.040 118.462 -5.422 1
1 879 . 16 1 1 A 74 74 VAL H H 74 8.799 8.656 0.143 1
1 880 . 16 1 1 A 74 74 VAL HA H 74 4.705 4.968 -0.263 1
1 888 . 16 1 1 A 74 74 VAL C C 74 174.122 174.011 0.111 1
1 889 . 16 1 1 A 74 74 VAL CA C 74 59.403 59.527 -0.124 1
1 890 . 16 1 1 A 74 74 VAL CB C 74 35.474 35.787 -0.313 1
1 893 . 16 1 1 A 74 74 VAL N N 74 122.721 122.223 0.498 1
1 894 . 16 1 1 A 75 75 MET H H 75 8.195 8.804 -0.609 1
1 895 . 16 1 1 A 75 75 MET HA H 75 5.922 6.034 -0.112 1
1 903 . 16 1 1 A 75 75 MET C C 75 175.531 175.645 -0.114 1
1 904 . 16 1 1 A 75 75 MET CA C 75 54.021 54.069 -0.048 1
1 905 . 16 1 1 A 75 75 MET CB C 75 34.750 33.972 0.778 1
1 908 . 16 1 1 A 75 75 MET N N 75 120.057 123.684 -3.627 1
1 909 . 16 1 1 A 76 76 PHE H H 76 9.394 9.049 0.345 1
1 910 . 16 1 1 A 76 76 PHE HA H 76 5.004 5.117 -0.113 1
1 918 . 16 1 1 A 76 76 PHE C C 76 171.623 172.209 -0.586 1
1 919 . 16 1 1 A 76 76 PHE CA C 76 55.802 55.482 0.320 1
1 920 . 16 1 1 A 76 76 PHE CB C 76 42.072 42.044 0.028 1
1 926 . 16 1 1 A 76 76 PHE N N 76 120.244 119.963 0.281 1
1 927 . 16 1 1 A 77 77 ARG H H 77 8.783 8.213 0.570 1
1 928 . 16 1 1 A 77 77 ARG HA H 77 4.420 4.203 0.217 1
1 936 . 16 1 1 A 77 77 ARG C C 77 173.455 174.570 -1.115 1
1 937 . 16 1 1 A 77 77 ARG CA C 77 54.218 55.017 -0.799 1
1 938 . 16 1 1 A 77 77 ARG CB C 77 32.439 30.267 2.172 1
1 941 . 16 1 1 A 77 77 ARG N N 77 121.379 118.997 2.382 1
1 943 . 16 1 1 A 78 78 PHE H H 78 9.258 9.265 -0.007 1
1 944 . 16 1 1 A 78 78 PHE HA H 78 5.438 5.202 0.236 1
1 952 . 16 1 1 A 78 78 PHE C C 78 175.873 174.465 1.408 1
1 953 . 16 1 1 A 78 78 PHE CA C 78 55.173 56.844 -1.671 1
1 954 . 16 1 1 A 78 78 PHE CB C 78 44.530 39.939 4.591 1
1 960 . 16 1 1 A 78 78 PHE N N 78 128.097 126.415 1.682 1
1 961 . 16 1 1 A 79 79 ARG H H 79 9.242 8.740 0.502 1
1 962 . 16 1 1 A 79 79 ARG HA H 79 4.201 4.686 -0.485 1
1 969 . 16 1 1 A 79 79 ARG C C 79 175.316 175.877 -0.561 1
1 970 . 16 1 1 A 79 79 ARG CA C 79 55.255 56.741 -1.486 1
1 971 . 16 1 1 A 79 79 ARG CB C 79 29.358 30.515 -1.157 1
1 974 . 16 1 1 A 79 79 ARG N N 79 129.898 130.487 -0.589 1
1 975 . 16 1 1 A 80 80 SER H H 80 9.253 8.901 0.352 1
1 976 . 16 1 1 A 80 80 SER HA H 80 4.772 5.278 -0.506 1
1 979 . 16 1 1 A 80 80 SER C C 80 174.983 175.256 -0.273 1
1 980 . 16 1 1 A 80 80 SER CA C 80 58.191 57.207 0.984 1
1 981 . 16 1 1 A 80 80 SER CB C 80 64.930 65.475 -0.545 1
1 982 . 16 1 1 A 80 80 SER N N 80 128.002 120.768 7.234 1
1 983 . 16 1 1 A 81 81 LYS H H 81 8.065 8.870 -0.805 1
1 984 . 16 1 1 A 81 81 LYS HA H 81 3.675 3.543 0.132 1
1 993 . 16 1 1 A 81 81 LYS C C 81 177.417 177.967 -0.550 1
1 994 . 16 1 1 A 81 81 LYS CA C 81 59.236 58.639 0.597 1
1 995 . 16 1 1 A 81 81 LYS CB C 81 31.641 31.967 -0.326 1
1 999 . 16 1 1 A 81 81 LYS N N 81 123.505 121.349 2.156 1
1 1000 . 16 1 1 A 82 82 ASN H H 82 7.934 7.640 0.294 1
1 1001 . 16 1 1 A 82 82 ASN HA H 82 4.679 4.756 -0.077 1
1 1006 . 16 1 1 A 82 82 ASN C C 82 173.949 174.129 -0.180 1
1 1007 . 16 1 1 A 82 82 ASN CA C 82 52.764 52.804 -0.040 1
1 1008 . 16 1 1 A 82 82 ASN CB C 82 37.428 38.513 -1.085 1
1 1009 . 16 1 1 A 82 82 ASN N N 82 115.202 114.336 0.866 1
1 1011 . 16 1 1 A 83 83 GLN H H 83 8.099 7.950 0.149 1
1 1012 . 16 1 1 A 83 83 GLN HA H 83 3.382 3.767 -0.385 1
1 1019 . 16 1 1 A 83 83 GLN C C 83 174.208 174.002 0.206 1
1 1020 . 16 1 1 A 83 83 GLN CA C 83 56.400 56.852 -0.452 1
1 1021 . 16 1 1 A 83 83 GLN CB C 83 25.003 26.086 -1.083 1
1 1023 . 16 1 1 A 83 83 GLN N N 83 112.357 115.818 -3.461 1
1 1025 . 16 1 1 A 84 84 GLU H H 84 7.385 7.615 -0.230 1
1 1026 . 16 1 1 A 84 84 GLU HA H 84 4.322 4.691 -0.369 1
1 1031 . 16 1 1 A 84 84 GLU CA C 84 54.720 54.633 0.087 1
1 1032 . 16 1 1 A 84 84 GLU CB C 84 31.713 32.601 -0.888 1
1 1034 . 16 1 1 A 84 84 GLU N N 84 117.557 116.495 1.062 1
1 1035 . 16 1 1 A 85 85 TRP H H 85 8.645 8.728 -0.083 1
1 1036 . 16 1 1 A 85 85 TRP HA H 85 5.145 4.817 0.328 1
1 1045 . 16 1 1 A 85 85 TRP C C 85 175.772 175.726 0.046 1
1 1046 . 16 1 1 A 85 85 TRP CA C 85 55.591 56.855 -1.264 1
1 1047 . 16 1 1 A 85 85 TRP CB C 85 30.113 27.982 2.131 1
1 1053 . 16 1 1 A 85 85 TRP N N 85 121.388 123.622 -2.234 1
1 1055 . 16 1 1 A 86 86 LEU H H 86 9.348 8.785 0.563 1
1 1056 . 16 1 1 A 86 86 LEU HA H 86 4.847 4.751 0.096 1
1 1066 . 16 1 1 A 86 86 LEU C C 86 176.991 176.425 0.566 1
1 1067 . 16 1 1 A 86 86 LEU CA C 86 53.102 54.631 -1.529 1
1 1068 . 16 1 1 A 86 86 LEU CB C 86 44.527 41.350 3.177 1
1 1071 . 16 1 1 A 86 86 LEU N N 86 126.537 125.711 0.826 1
1 1072 . 16 1 1 A 87 87 TRP H H 87 8.870 8.896 -0.026 1
1 1073 . 16 1 1 A 87 87 TRP HA H 87 4.465 4.956 -0.491 1
1 1082 . 16 1 1 A 87 87 TRP C C 87 175.731 176.950 -1.219 1
1 1083 . 16 1 1 A 87 87 TRP CA C 87 59.207 58.475 0.732 1
1 1084 . 16 1 1 A 87 87 TRP CB C 87 29.736 30.327 -0.591 1
1 1090 . 16 1 1 A 87 87 TRP N N 87 123.902 126.781 -2.879 1
1 1092 . 16 1 1 A 88 88 MET H H 88 9.432 9.105 0.327 1
1 1093 . 16 1 1 A 88 88 MET HA H 88 5.267 5.559 -0.292 1
1 1101 . 16 1 1 A 88 88 MET C C 88 174.713 174.392 0.321 1
1 1102 . 16 1 1 A 88 88 MET CA C 88 52.557 54.241 -1.684 1
1 1103 . 16 1 1 A 88 88 MET CB C 88 36.139 37.363 -1.224 1
1 1106 . 16 1 1 A 88 88 MET N N 88 123.412 121.398 2.014 1
1 1107 . 16 1 1 A 89 89 ARG H H 89 9.282 8.944 0.338 1
1 1108 . 16 1 1 A 89 89 ARG HA H 89 5.702 5.168 0.534 1
1 1115 . 16 1 1 A 89 89 ARG C C 89 177.137 175.714 1.423 1
1 1116 . 16 1 1 A 89 89 ARG CA C 89 54.266 54.673 -0.407 1
1 1117 . 16 1 1 A 89 89 ARG CB C 89 34.404 32.196 2.208 1
1 1120 . 16 1 1 A 89 89 ARG N N 89 119.570 120.999 -1.429 1
1 1121 . 16 1 1 A 90 90 THR H H 90 9.298 9.075 0.223 1
1 1122 . 16 1 1 A 90 90 THR HA H 90 5.625 5.294 0.331 1
1 1127 . 16 1 1 A 90 90 THR C C 90 176.787 174.273 2.514 1
1 1128 . 16 1 1 A 90 90 THR CA C 90 60.327 60.530 -0.203 1
1 1129 . 16 1 1 A 90 90 THR CB C 90 72.187 70.390 1.797 1
1 1131 . 16 1 1 A 90 90 THR N N 90 115.133 117.822 -2.689 1
1 1132 . 16 1 1 A 91 91 SER H H 91 8.194 8.775 -0.581 1
1 1133 . 16 1 1 A 91 91 SER HA H 91 4.860 5.196 -0.336 1
1 1136 . 16 1 1 A 91 91 SER C C 91 175.171 173.312 1.859 1
1 1137 . 16 1 1 A 91 91 SER CA C 91 59.224 57.336 1.888 1
1 1138 . 16 1 1 A 91 91 SER CB C 91 64.094 63.087 1.007 1
1 1139 . 16 1 1 A 91 91 SER N N 91 114.043 121.203 -7.160 1
1 1140 . 16 1 1 A 92 92 SER H H 92 9.864 8.213 1.651 1
1 1141 . 16 1 1 A 92 92 SER HA H 92 6.204 5.166 1.038 1
1 1144 . 16 1 1 A 92 92 SER C C 92 171.748 174.005 -2.257 1
1 1145 . 16 1 1 A 92 92 SER CA C 92 58.818 58.861 -0.043 1
1 1146 . 16 1 1 A 92 92 SER CB C 92 66.419 64.341 2.078 1
1 1147 . 16 1 1 A 92 92 SER N N 92 125.442 122.496 2.946 1
1 1148 . 16 1 1 A 93 93 GLN H H 93 8.873 8.705 0.168 1
1 1149 . 16 1 1 A 93 93 GLN HA H 93 5.048 5.122 -0.074 1
1 1156 . 16 1 1 A 93 93 GLN C C 93 174.145 174.798 -0.653 1
1 1157 . 16 1 1 A 93 93 GLN CA C 93 54.262 54.344 -0.082 1
1 1158 . 16 1 1 A 93 93 GLN CB C 93 33.131 32.684 0.447 1
1 1160 . 16 1 1 A 93 93 GLN N N 93 117.328 122.239 -4.911 1
1 1162 . 16 1 1 A 94 94 THR H H 94 8.846 8.696 0.150 1
1 1163 . 16 1 1 A 94 94 THR HA H 94 3.979 4.569 -0.590 1
1 1168 . 16 1 1 A 94 94 THR C C 94 174.677 174.562 0.115 1
1 1169 . 16 1 1 A 94 94 THR CA C 94 64.467 62.577 1.890 1
1 1170 . 16 1 1 A 94 94 THR CB C 94 68.894 69.297 -0.403 1
1 1172 . 16 1 1 A 94 94 THR N N 94 116.526 112.819 3.707 1
1 1173 . 16 1 1 A 95 95 ALA H H 95 8.188 8.395 -0.207 1
1 1174 . 16 1 1 A 95 95 ALA HA H 95 4.161 4.298 -0.137 1
1 1178 . 16 1 1 A 95 95 ALA C C 95 176.285 177.706 -1.421 1
1 1179 . 16 1 1 A 95 95 ALA CA C 95 51.847 52.431 -0.584 1
1 1180 . 16 1 1 A 95 95 ALA CB C 95 18.999 19.965 -0.966 1
1 1181 . 16 1 1 A 95 95 ALA N N 95 126.311 128.138 -1.827 1
1 1182 . 16 1 1 A 96 96 GLN H H 96 8.324 8.724 -0.400 1
1 1183 . 16 1 1 A 96 96 GLN HA H 96 4.175 4.490 -0.315 1
1 1190 . 16 1 1 A 96 96 GLN C C 96 176.230 175.444 0.786 1
1 1191 . 16 1 1 A 96 96 GLN CA C 96 54.621 55.340 -0.719 1
1 1192 . 16 1 1 A 96 96 GLN CB C 96 30.003 28.574 1.429 1
1 1194 . 16 1 1 A 96 96 GLN N N 96 116.920 117.235 -0.315 1
1 1196 . 16 1 1 A 97 97 ASN H H 97 8.512 7.997 0.515 1
1 1197 . 16 1 1 A 97 97 ASN HA H 97 4.436 4.626 -0.190 1
1 1200 . 16 1 1 A 97 97 ASN CA C 97 52.928 54.558 -1.630 1
1 1201 . 16 1 1 A 97 97 ASN CB C 97 37.851 37.276 0.575 1
1 1202 . 16 1 1 A 97 97 ASN N N 97 119.656 113.818 5.838 1
1 1203 . 16 1 1 A 98 98 PRO HA H 98 4.566 4.336 0.230 1
1 1210 . 16 1 1 A 98 98 PRO C C 98 175.164 176.010 -0.846 1
1 1211 . 16 1 1 A 98 98 PRO CA C 98 63.824 63.906 -0.082 1
1 1212 . 16 1 1 A 98 98 PRO CB C 98 32.473 32.249 0.224 1
1 1215 . 16 1 1 A 99 99 TYR H H 99 8.780 7.059 1.721 1
1 1216 . 16 1 1 A 99 99 TYR HA H 99 4.996 4.666 0.330 1
1 1223 . 16 1 1 A 99 99 TYR C C 99 176.421 176.283 0.138 1
1 1224 . 16 1 1 A 99 99 TYR CA C 99 55.837 57.749 -1.912 1
1 1225 . 16 1 1 A 99 99 TYR CB C 99 37.199 37.664 -0.465 1
1 1230 . 16 1 1 A 99 99 TYR N N 99 127.975 118.558 9.417 1
1 1231 . 16 1 1 A 100 100 SER H H 100 7.655 8.072 -0.417 1
1 1232 . 16 1 1 A 100 100 SER HA H 100 4.274 4.058 0.216 1
1 1235 . 16 1 1 A 100 100 SER C C 100 174.144 175.532 -1.388 1
1 1236 . 16 1 1 A 100 100 SER CA C 100 60.567 61.227 -0.660 1
1 1237 . 16 1 1 A 100 100 SER CB C 100 63.266 63.049 0.217 1
1 1238 . 16 1 1 A 100 100 SER N N 100 113.164 117.224 -4.060 1
1 1239 . 16 1 1 A 101 101 ASP H H 101 8.736 8.260 0.476 1
1 1240 . 16 1 1 A 101 101 ASP HA H 101 4.688 4.551 0.137 1
1 1243 . 16 1 1 A 101 101 ASP C C 101 175.535 175.790 -0.255 1
1 1244 . 16 1 1 A 101 101 ASP CA C 101 54.103 53.797 0.306 1
1 1245 . 16 1 1 A 101 101 ASP CB C 101 40.098 39.494 0.604 1
1 1246 . 16 1 1 A 101 101 ASP N N 101 118.476 116.276 2.200 1
1 1247 . 16 1 1 A 102 102 GLU H H 102 8.127 8.219 -0.092 1
1 1248 . 16 1 1 A 102 102 GLU HA H 102 4.448 4.839 -0.391 1
1 1253 . 16 1 1 A 102 102 GLU CA C 102 54.963 55.081 -0.118 1
1 1254 . 16 1 1 A 102 102 GLU CB C 102 31.769 32.376 -0.607 1
1 1256 . 16 1 1 A 102 102 GLU N N 102 119.744 119.067 0.677 1
1 1257 . 16 1 1 A 103 103 ILE H H 103 8.645 8.597 0.048 1
1 1258 . 16 1 1 A 103 103 ILE HA H 103 4.001 4.718 -0.717 1
1 1268 . 16 1 1 A 103 103 ILE C C 103 174.065 174.578 -0.513 1
1 1269 . 16 1 1 A 103 103 ILE CA C 103 60.418 60.909 -0.491 1
1 1270 . 16 1 1 A 103 103 ILE CB C 103 40.781 40.805 -0.024 1
1 1274 . 16 1 1 A 103 103 ILE N N 103 121.388 120.825 0.563 1
1 1275 . 16 1 1 A 104 104 GLU H H 104 8.957 9.112 -0.155 1
1 1276 . 16 1 1 A 104 104 GLU HA H 104 5.099 4.541 0.558 1
1 1281 . 16 1 1 A 104 104 GLU C C 104 175.093 175.244 -0.151 1
1 1282 . 16 1 1 A 104 104 GLU CA C 104 54.898 56.247 -1.349 1
1 1283 . 16 1 1 A 104 104 GLU CB C 104 32.330 30.105 2.225 1
1 1285 . 16 1 1 A 104 104 GLU N N 104 125.935 128.444 -2.509 1
1 1286 . 16 1 1 A 105 105 THR H H 105 8.774 8.724 0.050 1
1 1287 . 16 1 1 A 105 105 THR HA H 105 5.226 5.144 0.082 1
1 1292 . 16 1 1 A 105 105 THR C C 105 174.876 173.705 1.171 1
1 1293 . 16 1 1 A 105 105 THR CA C 105 61.469 62.296 -0.827 1
1 1294 . 16 1 1 A 105 105 THR CB C 105 70.382 70.017 0.365 1
1 1296 . 16 1 1 A 105 105 THR N N 105 127.200 121.225 5.975 1
1 1297 . 16 1 1 A 106 106 ILE H H 106 9.186 9.047 0.139 1
1 1298 . 16 1 1 A 106 106 ILE HA H 106 4.486 4.628 -0.142 1
1 1308 . 16 1 1 A 106 106 ILE C C 106 175.412 175.133 0.279 1
1 1309 . 16 1 1 A 106 106 ILE CA C 106 61.423 60.413 1.010 1
1 1310 . 16 1 1 A 106 106 ILE CB C 106 38.432 37.847 0.585 1
1 1313 . 16 1 1 A 106 106 ILE N N 106 107.991 128.408 -20.417 1
1 1314 . 16 1 1 A 107 107 ILE H H 107 8.431 8.262 0.169 1
1 1315 . 16 1 1 A 107 107 ILE HA H 107 4.239 4.488 -0.249 1
1 1325 . 16 1 1 A 107 107 ILE C C 107 173.805 174.706 -0.901 1
1 1326 . 16 1 1 A 107 107 ILE CA C 107 61.459 60.747 0.712 1
1 1327 . 16 1 1 A 107 107 ILE CB C 107 37.499 37.071 0.428 1
1 1331 . 16 1 1 A 107 107 ILE N N 107 129.202 128.427 0.775 1
1 1332 . 16 1 1 A 108 108 CYS H H 108 8.581 9.148 -0.567 1
1 1333 . 16 1 1 A 108 108 CYS HA H 108 5.298 5.068 0.230 1
1 1336 . 16 1 1 A 108 108 CYS C C 108 174.235 174.075 0.160 1
1 1337 . 16 1 1 A 108 108 CYS CA C 108 55.861 56.975 -1.114 1
1 1338 . 16 1 1 A 108 108 CYS CB C 108 31.110 30.700 0.410 1
1 1339 . 16 1 1 A 108 108 CYS N N 108 124.561 128.246 -3.685 1
1 1340 . 16 1 1 A 109 109 THR H H 109 8.701 8.902 -0.201 1
1 1341 . 16 1 1 A 109 109 THR HA H 109 4.733 4.467 0.266 1
1 1346 . 16 1 1 A 109 109 THR C C 109 174.927 174.460 0.467 1
1 1347 . 16 1 1 A 109 109 THR CA C 109 63.466 62.302 1.164 1
1 1348 . 16 1 1 A 109 109 THR CB C 109 69.636 69.743 -0.107 1
1 1350 . 16 1 1 A 109 109 THR N N 109 119.017 117.611 1.406 1
1 1351 . 16 1 1 A 110 110 ASN H H 110 8.527 8.862 -0.335 1
1 1352 . 16 1 1 A 110 110 ASN HA H 110 4.891 4.912 -0.021 1
1 1357 . 16 1 1 A 110 110 ASN C C 110 174.829 174.911 -0.082 1
1 1358 . 16 1 1 A 110 110 ASN CA C 110 53.104 54.651 -1.547 1
1 1359 . 16 1 1 A 110 110 ASN CB C 110 39.813 40.238 -0.425 1
1 1360 . 16 1 1 A 110 110 ASN N N 110 122.861 122.954 -0.093 1
1 1362 . 16 1 1 A 111 111 THR H H 111 8.159 8.194 -0.035 1
1 1363 . 16 1 1 A 111 111 THR HA H 111 4.407 4.370 0.037 1
1 1368 . 16 1 1 A 111 111 THR C C 111 174.189 175.272 -1.083 1
1 1369 . 16 1 1 A 111 111 THR CA C 111 61.900 62.719 -0.819 1
1 1370 . 16 1 1 A 111 111 THR CB C 111 69.400 68.903 0.497 1
1 1372 . 16 1 1 A 111 111 THR N N 111 114.879 112.749 2.130 1
1 1373 . 16 1 1 A 112 112 ASN H H 112 8.359 8.837 -0.478 1
1 1374 . 16 1 1 A 112 112 ASN N N 112 121.000 121.301 -0.301 1
1 1375 . 16 1 1 A 117 117 SER C C 117 174.242 173.959 0.283 1
1 1376 . 16 1 1 A 117 117 SER CA C 117 58.557 56.872 1.685 1
1 1377 . 16 1 1 A 117 117 SER CB C 117 63.729 63.815 -0.086 1
1 1378 . 16 1 1 A 118 118 GLN H H 118 8.304 9.071 -0.767 1
1 1379 . 16 1 1 A 118 118 GLN C C 118 174.889 175.372 -0.483 1
1 1380 . 16 1 1 A 118 118 GLN CA C 118 55.764 57.956 -2.192 1
1 1381 . 16 1 1 A 118 118 GLN CB C 118 29.659 27.563 2.096 1
1 1382 . 16 1 1 A 118 118 GLN N N 118 122.171 124.479 -2.308 1
1 1 . 17 1 1 A 2 2 ALA HA H 2 4.298 3.865 0.433 1
1 5 . 17 1 1 A 2 2 ALA CA C 2 53.448 53.203 0.245 1
1 6 . 17 1 1 A 2 2 ALA CB C 2 19.236 17.657 1.579 1
1 7 . 17 1 1 A 3 3 MET H H 3 8.518 7.632 0.886 1
1 12 . 17 1 1 A 3 3 MET N N 3 117.762 116.827 0.935 1
1 13 . 17 1 1 A 4 4 ASP CA C 4 54.632 54.157 0.475 1
1 14 . 17 1 1 A 4 4 ASP CB C 4 41.102 43.302 -2.200 1
1 15 . 17 1 1 A 5 5 ASN H H 5 8.332 8.209 0.123 1
1 18 . 17 1 1 A 5 5 ASN CA C 5 53.361 55.607 -2.246 1
1 19 . 17 1 1 A 5 5 ASN CB C 5 38.775 37.285 1.490 1
1 20 . 17 1 1 A 5 5 ASN N N 5 118.200 116.398 1.802 1
1 22 . 17 1 1 A 6 6 VAL H H 6 7.939 8.308 -0.369 1
1 23 . 17 1 1 A 6 6 VAL HA H 6 4.142 4.701 -0.559 1
1 31 . 17 1 1 A 6 6 VAL CA C 6 62.634 59.740 2.894 1
1 32 . 17 1 1 A 6 6 VAL CB C 6 32.598 34.010 -1.412 1
1 35 . 17 1 1 A 6 6 VAL N N 6 120.396 119.701 0.695 1
1 36 . 17 1 1 A 7 7 CYS H H 7 8.304 8.695 -0.391 1
1 37 . 17 1 1 A 7 7 CYS CA C 7 56.095 62.512 -6.417 1
1 38 . 17 1 1 A 7 7 CYS CB C 7 32.967 27.632 5.335 1
1 39 . 17 1 1 A 7 7 CYS N N 7 124.774 124.901 -0.127 1
1 40 . 17 1 1 A 9 9 PRO HA H 9 4.547 4.724 -0.177 1
1 46 . 17 1 1 A 9 9 PRO C C 9 176.493 175.722 0.771 1
1 47 . 17 1 1 A 9 9 PRO CA C 9 63.142 62.337 0.805 1
1 48 . 17 1 1 A 9 9 PRO CB C 9 32.554 33.080 -0.526 1
1 51 . 17 1 1 A 10 10 THR H H 10 8.368 8.732 -0.364 1
1 52 . 17 1 1 A 10 10 THR HA H 10 4.418 4.465 -0.047 1
1 57 . 17 1 1 A 10 10 THR C C 10 172.743 173.630 -0.887 1
1 58 . 17 1 1 A 10 10 THR CA C 10 61.197 62.859 -1.662 1
1 59 . 17 1 1 A 10 10 THR CB C 10 69.660 71.418 -1.758 1
1 61 . 17 1 1 A 10 10 THR N N 10 112.513 113.732 -1.219 1
1 62 . 17 1 1 A 11 11 GLU H H 11 7.813 7.919 -0.106 1
1 63 . 17 1 1 A 11 11 GLU HA H 11 5.549 5.134 0.415 1
1 68 . 17 1 1 A 11 11 GLU C C 11 173.062 174.157 -1.095 1
1 69 . 17 1 1 A 11 11 GLU CA C 11 53.855 55.565 -1.710 1
1 70 . 17 1 1 A 11 11 GLU CB C 11 33.820 32.794 1.026 1
1 72 . 17 1 1 A 11 11 GLU N N 11 119.491 116.402 3.089 1
1 73 . 17 1 1 A 12 12 PHE H H 12 8.198 8.848 -0.650 1
1 74 . 17 1 1 A 12 12 PHE HA H 12 5.014 5.836 -0.822 1
1 82 . 17 1 1 A 12 12 PHE C C 12 171.976 173.600 -1.624 1
1 83 . 17 1 1 A 12 12 PHE CA C 12 55.597 55.325 0.272 1
1 84 . 17 1 1 A 12 12 PHE CB C 12 42.384 42.037 0.347 1
1 90 . 17 1 1 A 12 12 PHE N N 12 111.146 117.860 -6.714 1
1 91 . 17 1 1 A 13 13 ILE H H 13 8.655 8.554 0.101 1
1 92 . 17 1 1 A 13 13 ILE HA H 13 4.165 4.412 -0.247 1
1 102 . 17 1 1 A 13 13 ILE C C 13 173.432 174.997 -1.565 1
1 103 . 17 1 1 A 13 13 ILE CA C 13 62.270 61.978 0.292 1
1 104 . 17 1 1 A 13 13 ILE CB C 13 39.957 36.944 3.013 1
1 108 . 17 1 1 A 13 13 ILE N N 13 121.427 124.629 -3.202 1
1 109 . 17 1 1 A 14 14 SER H H 14 8.034 9.009 -0.975 1
1 110 . 17 1 1 A 14 14 SER HA H 14 5.588 5.142 0.446 1
1 113 . 17 1 1 A 14 14 SER C C 14 173.429 173.602 -0.173 1
1 114 . 17 1 1 A 14 14 SER CA C 14 56.650 56.500 0.150 1
1 115 . 17 1 1 A 14 14 SER CB C 14 70.177 64.936 5.241 1
1 116 . 17 1 1 A 14 14 SER N N 14 121.358 123.443 -2.085 1
1 117 . 17 1 1 A 15 15 ARG H H 15 9.545 8.961 0.584 1
1 118 . 17 1 1 A 15 15 ARG HA H 15 5.826 4.805 1.021 1
1 126 . 17 1 1 A 15 15 ARG C C 15 176.042 175.604 0.438 1
1 127 . 17 1 1 A 15 15 ARG CA C 15 55.105 55.642 -0.537 1
1 128 . 17 1 1 A 15 15 ARG CB C 15 35.587 32.461 3.126 1
1 131 . 17 1 1 A 15 15 ARG N N 15 118.317 127.364 -9.047 1
1 133 . 17 1 1 A 16 16 HIS H H 16 8.730 8.275 0.455 1
1 134 . 17 1 1 A 16 16 HIS HA H 16 5.555 5.511 0.044 1
1 141 . 17 1 1 A 16 16 HIS C C 16 174.062 173.110 0.952 1
1 142 . 17 1 1 A 16 16 HIS CA C 16 54.057 54.472 -0.415 1
1 143 . 17 1 1 A 16 16 HIS CB C 16 31.334 31.280 0.054 1
1 146 . 17 1 1 A 16 16 HIS N N 16 117.425 116.904 0.521 1
1 148 . 17 1 1 A 17 17 ASN H H 17 8.201 8.812 -0.611 1
1 149 . 17 1 1 A 17 17 ASN HA H 17 4.897 4.907 -0.010 1
1 154 . 17 1 1 A 17 17 ASN C C 17 178.263 175.676 2.587 1
1 155 . 17 1 1 A 17 17 ASN CA C 17 51.104 51.765 -0.661 1
1 156 . 17 1 1 A 17 17 ASN CB C 17 38.469 39.006 -0.537 1
1 157 . 17 1 1 A 17 17 ASN N N 17 116.276 117.945 -1.669 1
1 159 . 17 1 1 A 18 18 ILE H H 18 8.774 8.804 -0.030 1
1 160 . 17 1 1 A 18 18 ILE HA H 18 3.795 3.937 -0.142 1
1 170 . 17 1 1 A 18 18 ILE C C 18 174.851 177.749 -2.898 1
1 171 . 17 1 1 A 18 18 ILE CA C 18 64.399 64.045 0.354 1
1 172 . 17 1 1 A 18 18 ILE CB C 18 38.072 37.877 0.195 1
1 176 . 17 1 1 A 18 18 ILE N N 18 120.001 120.229 -0.228 1
1 177 . 17 1 1 A 19 19 GLU H H 19 7.213 7.847 -0.634 1
1 178 . 17 1 1 A 19 19 GLU HA H 19 4.225 4.102 0.123 1
1 183 . 17 1 1 A 19 19 GLU CA C 19 57.145 56.805 0.340 1
1 184 . 17 1 1 A 19 19 GLU CB C 19 29.878 29.822 0.056 1
1 186 . 17 1 1 A 19 19 GLU N N 19 116.538 119.909 -3.371 1
1 187 . 17 1 1 A 20 20 GLY H H 20 7.845 7.827 0.018 1
1 188 . 17 1 1 A 20 20 GLY HA2 H 20 4.878 2.784 2.094 1
1 189 . 17 1 1 A 20 20 GLY HA3 H 20 2.886 3.538 -0.652 1
1 190 . 17 1 1 A 20 20 GLY C C 20 172.992 174.054 -1.062 1
1 191 . 17 1 1 A 20 20 GLY CA C 20 44.049 44.249 -0.200 1
1 192 . 17 1 1 A 20 20 GLY N N 20 104.883 106.126 -1.243 1
1 193 . 17 1 1 A 21 21 ILE H H 21 7.841 7.619 0.222 1
1 194 . 17 1 1 A 21 21 ILE HA H 21 3.995 4.086 -0.091 1
1 204 . 17 1 1 A 21 21 ILE C C 21 176.915 175.472 1.443 1
1 205 . 17 1 1 A 21 21 ILE CA C 21 60.302 61.856 -1.554 1
1 206 . 17 1 1 A 21 21 ILE CB C 21 36.111 38.023 -1.912 1
1 210 . 17 1 1 A 21 21 ILE N N 21 120.855 122.678 -1.823 1
1 211 . 17 1 1 A 22 22 PHE H H 22 8.896 8.676 0.220 1
1 212 . 17 1 1 A 22 22 PHE HA H 22 5.052 5.057 -0.005 1
1 220 . 17 1 1 A 22 22 PHE C C 22 177.971 176.223 1.748 1
1 221 . 17 1 1 A 22 22 PHE CA C 22 59.625 58.889 0.736 1
1 222 . 17 1 1 A 22 22 PHE CB C 22 39.984 38.991 0.993 1
1 228 . 17 1 1 A 22 22 PHE N N 22 125.849 128.434 -2.585 1
1 229 . 17 1 1 A 23 23 THR H H 23 9.771 8.893 0.878 1
1 230 . 17 1 1 A 23 23 THR HA H 23 4.403 4.508 -0.105 1
1 235 . 17 1 1 A 23 23 THR C C 23 175.589 174.555 1.034 1
1 236 . 17 1 1 A 23 23 THR CA C 23 61.611 62.274 -0.663 1
1 237 . 17 1 1 A 23 23 THR CB C 23 69.193 69.209 -0.016 1
1 239 . 17 1 1 A 23 23 THR N N 23 117.677 115.438 2.239 1
1 240 . 17 1 1 A 24 24 PHE H H 24 7.948 7.435 0.513 1
1 241 . 17 1 1 A 24 24 PHE HA H 24 4.483 4.793 -0.310 1
1 249 . 17 1 1 A 24 24 PHE C C 24 173.376 173.328 0.048 1
1 250 . 17 1 1 A 24 24 PHE CA C 24 59.142 58.301 0.841 1
1 251 . 17 1 1 A 24 24 PHE CB C 24 42.161 42.426 -0.265 1
1 257 . 17 1 1 A 24 24 PHE N N 24 123.378 121.225 2.153 1
1 258 . 17 1 1 A 25 25 VAL H H 25 7.340 7.350 -0.010 1
1 259 . 17 1 1 A 25 25 VAL HA H 25 4.166 4.293 -0.127 1
1 267 . 17 1 1 A 25 25 VAL C C 25 173.103 173.491 -0.388 1
1 268 . 17 1 1 A 25 25 VAL CA C 25 61.539 60.351 1.188 1
1 269 . 17 1 1 A 25 25 VAL CB C 25 35.683 35.152 0.531 1
1 272 . 17 1 1 A 25 25 VAL N N 25 124.777 123.358 1.419 1
1 273 . 17 1 1 A 26 26 ASP H H 26 7.942 8.435 -0.493 1
1 274 . 17 1 1 A 26 26 ASP HA H 26 4.466 4.497 -0.031 1
1 277 . 17 1 1 A 26 26 ASP C C 26 175.258 177.259 -2.001 1
1 278 . 17 1 1 A 26 26 ASP CA C 26 53.318 54.309 -0.991 1
1 279 . 17 1 1 A 26 26 ASP CB C 26 42.461 42.394 0.067 1
1 280 . 17 1 1 A 26 26 ASP N N 26 125.573 126.471 -0.898 1
1 281 . 17 1 1 A 27 27 HIS H H 27 8.115 8.906 -0.791 1
1 282 . 17 1 1 A 27 27 HIS HA H 27 4.222 4.125 0.097 1
1 286 . 17 1 1 A 27 27 HIS C C 27 177.268 176.403 0.865 1
1 287 . 17 1 1 A 27 27 HIS CA C 27 59.164 58.621 0.543 1
1 288 . 17 1 1 A 27 27 HIS CB C 27 30.374 29.260 1.114 1
1 290 . 17 1 1 A 27 27 HIS N N 27 117.576 123.470 -5.894 1
1 291 . 17 1 1 A 28 28 ARG H H 28 8.724 7.843 0.881 1
1 292 . 17 1 1 A 28 28 ARG HA H 28 4.210 3.693 0.517 1
1 300 . 17 1 1 A 28 28 ARG C C 28 177.838 179.162 -1.324 1
1 301 . 17 1 1 A 28 28 ARG CA C 28 58.199 59.170 -0.971 1
1 302 . 17 1 1 A 28 28 ARG CB C 28 29.815 29.436 0.379 1
1 305 . 17 1 1 A 28 28 ARG N N 28 122.414 120.505 1.909 1
1 307 . 17 1 1 A 29 29 CYS H H 29 8.102 8.227 -0.125 1
1 308 . 17 1 1 A 29 29 CYS HA H 29 3.124 3.141 -0.017 1
1 311 . 17 1 1 A 29 29 CYS C C 29 175.551 177.111 -1.560 1
1 312 . 17 1 1 A 29 29 CYS CA C 29 59.988 60.867 -0.879 1
1 313 . 17 1 1 A 29 29 CYS CB C 29 25.101 26.256 -1.155 1
1 314 . 17 1 1 A 29 29 CYS N N 29 119.987 117.607 2.380 1
1 315 . 17 1 1 A 30 30 VAL H H 30 7.139 7.044 0.095 1
1 316 . 17 1 1 A 30 30 VAL HA H 30 3.373 3.634 -0.261 1
1 324 . 17 1 1 A 30 30 VAL C C 30 178.225 178.005 0.220 1
1 325 . 17 1 1 A 30 30 VAL CA C 30 65.903 64.532 1.371 1
1 326 . 17 1 1 A 30 30 VAL CB C 30 31.446 31.523 -0.077 1
1 329 . 17 1 1 A 30 30 VAL N N 30 125.016 119.156 5.860 1
1 330 . 17 1 1 A 31 31 ALA H H 31 7.393 7.737 -0.344 1
1 331 . 17 1 1 A 31 31 ALA HA H 31 4.126 4.089 0.037 1
1 335 . 17 1 1 A 31 31 ALA C C 31 178.111 179.852 -1.741 1
1 336 . 17 1 1 A 31 31 ALA CA C 31 53.715 54.444 -0.729 1
1 337 . 17 1 1 A 31 31 ALA CB C 31 19.223 18.468 0.755 1
1 338 . 17 1 1 A 31 31 ALA N N 31 120.554 124.026 -3.472 1
1 339 . 17 1 1 A 32 32 THR H H 32 7.253 7.740 -0.487 1
1 340 . 17 1 1 A 32 32 THR HA H 32 4.116 4.051 0.065 1
1 345 . 17 1 1 A 32 32 THR C C 32 175.655 176.020 -0.365 1
1 346 . 17 1 1 A 32 32 THR CA C 32 64.727 65.731 -1.004 1
1 347 . 17 1 1 A 32 32 THR CB C 32 69.144 69.281 -0.137 1
1 349 . 17 1 1 A 32 32 THR N N 32 109.150 113.826 -4.676 1
1 350 . 17 1 1 A 33 33 VAL H H 33 7.939 7.670 0.269 1
1 351 . 17 1 1 A 33 33 VAL HA H 33 4.504 4.305 0.199 1
1 359 . 17 1 1 A 33 33 VAL C C 33 175.594 176.204 -0.610 1
1 360 . 17 1 1 A 33 33 VAL CA C 33 60.596 60.483 0.113 1
1 361 . 17 1 1 A 33 33 VAL CB C 33 34.900 31.450 3.450 1
1 364 . 17 1 1 A 33 33 VAL N N 33 108.519 113.148 -4.629 1
1 365 . 17 1 1 A 34 34 GLY H H 34 7.439 7.821 -0.382 1
1 366 . 17 1 1 A 34 34 GLY HA2 H 34 4.099 3.677 0.422 1
1 367 . 17 1 1 A 34 34 GLY HA3 H 34 3.846 3.783 0.063 1
1 368 . 17 1 1 A 34 34 GLY C C 34 173.655 173.553 0.102 1
1 369 . 17 1 1 A 34 34 GLY CA C 34 46.538 45.394 1.144 1
1 370 . 17 1 1 A 34 34 GLY N N 34 109.672 110.196 -0.524 1
1 371 . 17 1 1 A 35 35 TYR H H 35 6.215 7.446 -1.231 1
1 372 . 17 1 1 A 35 35 TYR HA H 35 4.415 4.893 -0.478 1
1 379 . 17 1 1 A 35 35 TYR C C 35 174.492 175.242 -0.750 1
1 380 . 17 1 1 A 35 35 TYR CA C 35 57.289 59.012 -1.723 1
1 381 . 17 1 1 A 35 35 TYR CB C 35 40.784 38.158 2.626 1
1 386 . 17 1 1 A 35 35 TYR N N 35 117.067 119.986 -2.919 1
1 387 . 17 1 1 A 36 36 GLN H H 36 9.145 8.491 0.654 1
1 388 . 17 1 1 A 36 36 GLN HA H 36 4.285 4.226 0.059 1
1 393 . 17 1 1 A 36 36 GLN CA C 36 53.760 54.668 -0.908 1
1 394 . 17 1 1 A 36 36 GLN CB C 36 27.558 28.377 -0.819 1
1 396 . 17 1 1 A 36 36 GLN N N 36 117.664 123.951 -6.287 1
1 397 . 17 1 1 A 37 37 PRO HA H 37 3.755 4.040 -0.285 1
1 404 . 17 1 1 A 37 37 PRO C C 37 178.629 178.231 0.398 1
1 405 . 17 1 1 A 37 37 PRO CA C 37 66.415 65.764 0.651 1
1 406 . 17 1 1 A 37 37 PRO CB C 37 31.313 31.647 -0.334 1
1 409 . 17 1 1 A 38 38 GLN H H 38 8.870 8.818 0.052 1
1 410 . 17 1 1 A 38 38 GLN HA H 38 3.996 4.074 -0.078 1
1 415 . 17 1 1 A 38 38 GLN C C 38 177.121 177.447 -0.326 1
1 416 . 17 1 1 A 38 38 GLN CA C 38 58.468 58.520 -0.052 1
1 417 . 17 1 1 A 38 38 GLN CB C 38 27.259 27.648 -0.389 1
1 419 . 17 1 1 A 38 38 GLN N N 38 113.031 115.374 -2.343 1
1 420 . 17 1 1 A 39 39 GLU H H 39 7.799 7.926 -0.127 1
1 421 . 17 1 1 A 39 39 GLU HA H 39 4.203 4.231 -0.028 1
1 426 . 17 1 1 A 39 39 GLU C C 39 175.485 177.229 -1.744 1
1 427 . 17 1 1 A 39 39 GLU CA C 39 57.598 58.438 -0.840 1
1 428 . 17 1 1 A 39 39 GLU CB C 39 30.955 29.527 1.428 1
1 430 . 17 1 1 A 39 39 GLU N N 39 117.366 119.574 -2.208 1
1 431 . 17 1 1 A 40 40 LEU H H 40 7.001 7.328 -0.327 1
1 432 . 17 1 1 A 40 40 LEU HA H 40 4.205 4.518 -0.313 1
1 442 . 17 1 1 A 40 40 LEU C C 40 176.417 177.338 -0.921 1
1 443 . 17 1 1 A 40 40 LEU CA C 40 55.345 55.728 -0.383 1
1 444 . 17 1 1 A 40 40 LEU CB C 40 43.190 43.506 -0.316 1
1 448 . 17 1 1 A 40 40 LEU N N 40 116.615 118.626 -2.011 1
1 449 . 17 1 1 A 41 41 LEU H H 41 7.521 7.937 -0.416 1
1 450 . 17 1 1 A 41 41 LEU HA H 41 3.678 4.289 -0.611 1
1 460 . 17 1 1 A 41 41 LEU C C 41 177.754 177.961 -0.207 1
1 461 . 17 1 1 A 41 41 LEU CA C 41 57.050 57.249 -0.199 1
1 462 . 17 1 1 A 41 41 LEU CB C 41 42.155 41.655 0.500 1
1 466 . 17 1 1 A 41 41 LEU N N 41 117.814 121.190 -3.376 1
1 467 . 17 1 1 A 42 42 GLY H H 42 8.535 9.282 -0.747 1
1 468 . 17 1 1 A 42 42 GLY HA2 H 42 4.328 4.011 0.317 1
1 469 . 17 1 1 A 42 42 GLY HA3 H 42 3.601 4.011 -0.410 1
1 470 . 17 1 1 A 42 42 GLY C C 42 173.808 173.748 0.060 1
1 471 . 17 1 1 A 42 42 GLY CA C 42 45.689 45.307 0.382 1
1 472 . 17 1 1 A 42 42 GLY N N 42 110.496 111.943 -1.447 1
1 473 . 17 1 1 A 43 43 LYS H H 43 8.398 8.148 0.250 1
1 474 . 17 1 1 A 43 43 LYS HA H 43 4.680 4.604 0.076 1
1 483 . 17 1 1 A 43 43 LYS C C 43 173.943 175.459 -1.516 1
1 484 . 17 1 1 A 43 43 LYS CA C 43 54.361 54.536 -0.175 1
1 485 . 17 1 1 A 43 43 LYS CB C 43 33.960 34.241 -0.281 1
1 489 . 17 1 1 A 43 43 LYS N N 43 120.461 120.774 -0.313 1
1 490 . 17 1 1 A 44 44 ASN H H 44 8.892 8.293 0.599 1
1 491 . 17 1 1 A 44 44 ASN HA H 44 4.690 4.601 0.089 1
1 496 . 17 1 1 A 44 44 ASN C C 44 176.922 175.692 1.230 1
1 497 . 17 1 1 A 44 44 ASN CA C 44 52.256 53.256 -1.000 1
1 498 . 17 1 1 A 44 44 ASN CB C 44 40.451 39.578 0.873 1
1 499 . 17 1 1 A 44 44 ASN N N 44 119.869 121.833 -1.964 1
1 501 . 17 1 1 A 45 45 ILE H H 45 8.543 8.323 0.220 1
1 502 . 17 1 1 A 45 45 ILE HA H 45 3.887 3.581 0.306 1
1 511 . 17 1 1 A 45 45 ILE C C 45 176.137 177.003 -0.866 1
1 512 . 17 1 1 A 45 45 ILE CA C 45 65.116 64.067 1.049 1
1 513 . 17 1 1 A 45 45 ILE CB C 45 36.637 37.337 -0.700 1
1 517 . 17 1 1 A 45 45 ILE N N 45 129.131 127.479 1.652 1
1 518 . 17 1 1 A 46 46 VAL H H 46 9.059 7.359 1.700 1
1 519 . 17 1 1 A 46 46 VAL HA H 46 3.439 3.759 -0.320 1
1 527 . 17 1 1 A 46 46 VAL C C 46 178.407 178.206 0.201 1
1 528 . 17 1 1 A 46 46 VAL CA C 46 65.705 65.369 0.336 1
1 529 . 17 1 1 A 46 46 VAL CB C 46 31.022 31.169 -0.147 1
1 532 . 17 1 1 A 46 46 VAL N N 46 118.981 117.641 1.340 1
1 533 . 17 1 1 A 47 47 GLU H H 47 7.923 8.365 -0.442 1
1 534 . 17 1 1 A 47 47 GLU HA H 47 3.989 3.903 0.086 1
1 539 . 17 1 1 A 47 47 GLU C C 47 177.664 178.311 -0.647 1
1 540 . 17 1 1 A 47 47 GLU CA C 47 57.999 59.021 -1.022 1
1 541 . 17 1 1 A 47 47 GLU CB C 47 28.849 28.994 -0.145 1
1 543 . 17 1 1 A 47 47 GLU N N 47 117.733 121.556 -3.823 1
1 544 . 17 1 1 A 48 48 PHE H H 48 7.689 7.434 0.255 1
1 545 . 17 1 1 A 48 48 PHE HA H 48 4.177 4.240 -0.063 1
1 553 . 17 1 1 A 48 48 PHE C C 48 172.739 175.812 -3.073 1
1 554 . 17 1 1 A 48 48 PHE CA C 48 57.725 59.520 -1.795 1
1 555 . 17 1 1 A 48 48 PHE CB C 48 39.428 39.446 -0.018 1
1 561 . 17 1 1 A 48 48 PHE N N 48 117.768 115.172 2.596 1
1 562 . 17 1 1 A 49 49 CYS H H 49 7.413 7.396 0.017 1
1 563 . 17 1 1 A 49 49 CYS HA H 49 5.671 5.021 0.650 1
1 566 . 17 1 1 A 49 49 CYS CA C 49 56.429 60.100 -3.671 1
1 567 . 17 1 1 A 49 49 CYS CB C 49 28.747 28.076 0.671 1
1 568 . 17 1 1 A 49 49 CYS N N 49 119.705 118.372 1.333 1
1 569 . 17 1 1 A 50 50 HIS H H 50 8.640 8.623 0.017 1
1 570 . 17 1 1 A 50 50 HIS HA H 50 3.655 3.937 -0.282 1
1 574 . 17 1 1 A 50 50 HIS CA C 50 56.934 54.838 2.096 1
1 575 . 17 1 1 A 50 50 HIS CB C 50 32.071 30.189 1.882 1
1 577 . 17 1 1 A 50 50 HIS N N 50 134.180 125.340 8.840 1
1 578 . 17 1 1 A 51 51 PRO HA H 51 4.044 4.151 -0.107 1
1 584 . 17 1 1 A 51 51 PRO C C 51 179.121 178.880 0.241 1
1 585 . 17 1 1 A 51 51 PRO CA C 51 65.989 66.026 -0.037 1
1 586 . 17 1 1 A 51 51 PRO CB C 51 32.605 31.628 0.977 1
1 589 . 17 1 1 A 52 52 GLU H H 52 10.986 8.696 2.290 1
1 590 . 17 1 1 A 52 52 GLU HA H 52 4.125 4.131 -0.006 1
1 595 . 17 1 1 A 52 52 GLU C C 52 177.643 177.225 0.418 1
1 596 . 17 1 1 A 52 52 GLU CA C 52 58.522 58.965 -0.443 1
1 597 . 17 1 1 A 52 52 GLU CB C 52 29.347 28.890 0.457 1
1 599 . 17 1 1 A 52 52 GLU N N 52 119.351 117.745 1.606 1
1 600 . 17 1 1 A 53 53 ASP H H 53 8.203 8.088 0.115 1
1 601 . 17 1 1 A 53 53 ASP HA H 53 4.898 4.693 0.205 1
1 604 . 17 1 1 A 53 53 ASP C C 53 175.641 177.192 -1.551 1
1 605 . 17 1 1 A 53 53 ASP CA C 53 54.092 54.556 -0.464 1
1 606 . 17 1 1 A 53 53 ASP CB C 53 43.596 41.864 1.732 1
1 607 . 17 1 1 A 53 53 ASP N N 53 117.757 117.599 0.158 1
1 608 . 17 1 1 A 54 54 GLN H H 54 6.922 7.913 -0.991 1
1 609 . 17 1 1 A 54 54 GLN HA H 54 3.985 3.984 0.001 1
1 616 . 17 1 1 A 54 54 GLN C C 54 177.417 178.708 -1.291 1
1 617 . 17 1 1 A 54 54 GLN CA C 54 60.084 59.000 1.084 1
1 618 . 17 1 1 A 54 54 GLN CB C 54 28.448 28.256 0.192 1
1 620 . 17 1 1 A 54 54 GLN N N 54 118.680 119.531 -0.851 1
1 622 . 17 1 1 A 55 55 GLN H H 55 8.663 7.976 0.687 1
1 623 . 17 1 1 A 55 55 GLN HA H 55 3.778 4.075 -0.297 1
1 630 . 17 1 1 A 55 55 GLN C C 55 177.398 178.152 -0.754 1
1 631 . 17 1 1 A 55 55 GLN CA C 55 58.812 58.528 0.284 1
1 632 . 17 1 1 A 55 55 GLN CB C 55 27.402 28.936 -1.534 1
1 634 . 17 1 1 A 55 55 GLN N N 55 119.173 120.069 -0.896 1
1 636 . 17 1 1 A 56 56 LEU H H 56 7.935 7.728 0.207 1
1 637 . 17 1 1 A 56 56 LEU HA H 56 4.071 4.084 -0.013 1
1 647 . 17 1 1 A 56 56 LEU C C 56 180.037 178.304 1.733 1
1 648 . 17 1 1 A 56 56 LEU CA C 56 57.698 57.373 0.325 1
1 649 . 17 1 1 A 56 56 LEU CB C 56 41.586 42.280 -0.694 1
1 653 . 17 1 1 A 56 56 LEU N N 56 119.661 120.614 -0.953 1
1 654 . 17 1 1 A 57 57 LEU H H 57 7.382 8.066 -0.684 1
1 655 . 17 1 1 A 57 57 LEU HA H 57 3.575 3.474 0.101 1
1 665 . 17 1 1 A 57 57 LEU C C 57 178.470 178.225 0.245 1
1 666 . 17 1 1 A 57 57 LEU CA C 57 57.703 57.971 -0.268 1
1 667 . 17 1 1 A 57 57 LEU CB C 57 42.077 41.444 0.633 1
1 671 . 17 1 1 A 57 57 LEU N N 57 119.857 118.426 1.431 1
1 672 . 17 1 1 A 58 58 ARG H H 58 8.118 8.565 -0.447 1
1 673 . 17 1 1 A 58 58 ARG HA H 58 3.338 4.087 -0.749 1
1 680 . 17 1 1 A 58 58 ARG C C 58 179.713 178.487 1.226 1
1 681 . 17 1 1 A 58 58 ARG CA C 58 60.120 59.911 0.209 1
1 682 . 17 1 1 A 58 58 ARG CB C 58 30.320 29.950 0.370 1
1 685 . 17 1 1 A 58 58 ARG N N 58 118.198 117.795 0.403 1
1 686 . 17 1 1 A 59 59 ASP H H 59 8.748 7.987 0.761 1
1 687 . 17 1 1 A 59 59 ASP HA H 59 4.336 4.278 0.058 1
1 690 . 17 1 1 A 59 59 ASP C C 59 179.130 177.732 1.398 1
1 691 . 17 1 1 A 59 59 ASP CA C 59 57.197 57.541 -0.344 1
1 692 . 17 1 1 A 59 59 ASP CB C 59 40.212 41.742 -1.530 1
1 693 . 17 1 1 A 59 59 ASP N N 59 119.165 120.205 -1.040 1
1 694 . 17 1 1 A 60 60 SER H H 60 7.552 7.835 -0.283 1
1 695 . 17 1 1 A 60 60 SER HA H 60 4.116 4.010 0.106 1
1 698 . 17 1 1 A 60 60 SER C C 60 175.883 177.597 -1.714 1
1 699 . 17 1 1 A 60 60 SER CA C 60 61.975 61.211 0.764 1
1 700 . 17 1 1 A 60 60 SER CB C 60 63.098 62.407 0.691 1
1 701 . 17 1 1 A 60 60 SER N N 60 117.761 113.909 3.852 1
1 702 . 17 1 1 A 61 61 PHE H H 61 7.063 7.419 -0.356 1
1 703 . 17 1 1 A 61 61 PHE HA H 61 4.614 4.391 0.223 1
1 711 . 17 1 1 A 61 61 PHE C C 61 177.561 178.320 -0.759 1
1 712 . 17 1 1 A 61 61 PHE CA C 61 56.777 61.774 -4.997 1
1 713 . 17 1 1 A 61 61 PHE CB C 61 36.564 38.227 -1.663 1
1 719 . 17 1 1 A 61 61 PHE N N 61 122.009 119.571 2.438 1
1 720 . 17 1 1 A 62 62 GLN H H 62 7.376 8.384 -1.008 1
1 721 . 17 1 1 A 62 62 GLN HA H 62 4.038 4.035 0.003 1
1 726 . 17 1 1 A 62 62 GLN C C 62 179.093 178.815 0.278 1
1 727 . 17 1 1 A 62 62 GLN CA C 62 58.240 59.168 -0.928 1
1 728 . 17 1 1 A 62 62 GLN CB C 62 28.094 28.314 -0.220 1
1 730 . 17 1 1 A 62 62 GLN N N 62 114.929 118.744 -3.815 1
1 731 . 17 1 1 A 63 63 GLN H H 63 7.893 7.851 0.042 1
1 732 . 17 1 1 A 63 63 GLN HA H 63 4.083 4.185 -0.102 1
1 737 . 17 1 1 A 63 63 GLN C C 63 178.244 178.574 -0.330 1
1 738 . 17 1 1 A 63 63 GLN CA C 63 58.408 58.303 0.105 1
1 739 . 17 1 1 A 63 63 GLN CB C 63 28.755 28.600 0.155 1
1 741 . 17 1 1 A 63 63 GLN N N 63 117.434 119.956 -2.522 1
1 742 . 17 1 1 A 64 64 VAL H H 64 8.220 8.070 0.150 1
1 743 . 17 1 1 A 64 64 VAL HA H 64 3.663 4.068 -0.405 1
1 751 . 17 1 1 A 64 64 VAL C C 64 177.137 178.008 -0.871 1
1 752 . 17 1 1 A 64 64 VAL CA C 64 66.107 65.556 0.551 1
1 753 . 17 1 1 A 64 64 VAL CB C 64 31.475 31.571 -0.096 1
1 756 . 17 1 1 A 64 64 VAL N N 64 118.766 117.515 1.251 1
1 757 . 17 1 1 A 65 65 VAL H H 65 6.860 7.637 -0.777 1
1 758 . 17 1 1 A 65 65 VAL HA H 65 3.833 3.895 -0.062 1
1 766 . 17 1 1 A 65 65 VAL C C 65 177.624 177.955 -0.331 1
1 767 . 17 1 1 A 65 65 VAL CA C 65 64.200 64.719 -0.519 1
1 768 . 17 1 1 A 65 65 VAL CB C 65 31.730 31.717 0.013 1
1 771 . 17 1 1 A 65 65 VAL N N 65 112.590 122.463 -9.873 1
1 772 . 17 1 1 A 66 66 LYS H H 66 7.431 7.851 -0.420 1
1 773 . 17 1 1 A 66 66 LYS HA H 66 4.184 4.030 0.154 1
1 782 . 17 1 1 A 66 66 LYS C C 66 177.374 178.264 -0.890 1
1 783 . 17 1 1 A 66 66 LYS CA C 66 58.190 59.629 -1.439 1
1 784 . 17 1 1 A 66 66 LYS CB C 66 33.232 32.834 0.398 1
1 788 . 17 1 1 A 66 66 LYS N N 66 119.643 121.983 -2.340 1
1 789 . 17 1 1 A 67 67 LEU H H 67 7.859 8.213 -0.354 1
1 790 . 17 1 1 A 67 67 LEU HA H 67 4.552 4.310 0.242 1
1 800 . 17 1 1 A 67 67 LEU C C 67 175.532 176.028 -0.496 1
1 801 . 17 1 1 A 67 67 LEU CA C 67 53.108 55.371 -2.263 1
1 802 . 17 1 1 A 67 67 LEU CB C 67 40.979 41.730 -0.751 1
1 806 . 17 1 1 A 67 67 LEU N N 67 121.288 117.975 3.313 1
1 807 . 17 1 1 A 68 68 LYS H H 68 7.475 8.174 -0.699 1
1 808 . 17 1 1 A 68 68 LYS HA H 68 4.156 4.153 0.003 1
1 817 . 17 1 1 A 68 68 LYS C C 68 177.987 176.483 1.504 1
1 818 . 17 1 1 A 68 68 LYS CA C 68 58.388 57.222 1.166 1
1 819 . 17 1 1 A 68 68 LYS CB C 68 32.207 31.073 1.134 1
1 823 . 17 1 1 A 68 68 LYS N N 68 119.626 117.458 2.168 1
1 824 . 17 1 1 A 69 69 GLY H H 69 8.696 8.160 0.536 1
1 825 . 17 1 1 A 69 69 GLY HA2 H 69 4.294 4.045 0.249 1
1 826 . 17 1 1 A 69 69 GLY HA3 H 69 3.896 4.049 -0.153 1
1 827 . 17 1 1 A 69 69 GLY CA C 69 45.335 45.132 0.203 1
1 828 . 17 1 1 A 69 69 GLY N N 69 113.681 107.305 6.376 1
1 829 . 17 1 1 A 70 70 GLN H H 70 8.031 7.919 0.112 1
1 830 . 17 1 1 A 70 70 GLN HA H 70 4.508 4.268 0.240 1
1 835 . 17 1 1 A 70 70 GLN C C 70 174.684 175.643 -0.959 1
1 836 . 17 1 1 A 70 70 GLN CA C 70 55.347 56.370 -1.023 1
1 837 . 17 1 1 A 70 70 GLN CB C 70 30.111 29.349 0.762 1
1 839 . 17 1 1 A 70 70 GLN N N 70 119.949 121.847 -1.898 1
1 840 . 17 1 1 A 71 71 VAL H H 71 8.232 8.606 -0.374 1
1 841 . 17 1 1 A 71 71 VAL HA H 71 4.822 4.715 0.107 1
1 849 . 17 1 1 A 71 71 VAL C C 71 176.406 175.422 0.984 1
1 850 . 17 1 1 A 71 71 VAL CA C 71 61.198 62.326 -1.128 1
1 851 . 17 1 1 A 71 71 VAL CB C 71 32.964 32.336 0.628 1
1 854 . 17 1 1 A 71 71 VAL N N 71 121.816 126.389 -4.573 1
1 855 . 17 1 1 A 72 72 LEU H H 72 9.052 8.943 0.109 1
1 856 . 17 1 1 A 72 72 LEU HA H 72 4.827 5.282 -0.455 1
1 865 . 17 1 1 A 72 72 LEU C C 72 175.411 175.277 0.134 1
1 866 . 17 1 1 A 72 72 LEU CA C 72 52.895 53.681 -0.786 1
1 867 . 17 1 1 A 72 72 LEU CB C 72 44.755 45.129 -0.374 1
1 870 . 17 1 1 A 72 72 LEU N N 72 130.331 127.980 2.351 1
1 871 . 17 1 1 A 73 73 SER H H 73 8.057 9.107 -1.050 1
1 872 . 17 1 1 A 73 73 SER HA H 73 5.211 5.702 -0.491 1
1 875 . 17 1 1 A 73 73 SER C C 73 174.562 173.072 1.490 1
1 876 . 17 1 1 A 73 73 SER CA C 73 56.591 56.751 -0.160 1
1 877 . 17 1 1 A 73 73 SER CB C 73 66.336 64.751 1.585 1
1 878 . 17 1 1 A 73 73 SER N N 73 113.040 119.587 -6.547 1
1 879 . 17 1 1 A 74 74 VAL H H 74 8.799 8.704 0.095 1
1 880 . 17 1 1 A 74 74 VAL HA H 74 4.705 4.968 -0.263 1
1 888 . 17 1 1 A 74 74 VAL C C 74 174.122 173.993 0.129 1
1 889 . 17 1 1 A 74 74 VAL CA C 74 59.403 59.549 -0.146 1
1 890 . 17 1 1 A 74 74 VAL CB C 74 35.474 35.748 -0.274 1
1 893 . 17 1 1 A 74 74 VAL N N 74 122.721 122.248 0.473 1
1 894 . 17 1 1 A 75 75 MET H H 75 8.195 8.805 -0.610 1
1 895 . 17 1 1 A 75 75 MET HA H 75 5.922 6.093 -0.171 1
1 903 . 17 1 1 A 75 75 MET C C 75 175.531 175.718 -0.187 1
1 904 . 17 1 1 A 75 75 MET CA C 75 54.021 54.045 -0.024 1
1 905 . 17 1 1 A 75 75 MET CB C 75 34.750 33.869 0.881 1
1 908 . 17 1 1 A 75 75 MET N N 75 120.057 123.683 -3.626 1
1 909 . 17 1 1 A 76 76 PHE H H 76 9.394 9.149 0.245 1
1 910 . 17 1 1 A 76 76 PHE HA H 76 5.004 5.154 -0.150 1
1 918 . 17 1 1 A 76 76 PHE C C 76 171.623 172.328 -0.705 1
1 919 . 17 1 1 A 76 76 PHE CA C 76 55.802 55.494 0.308 1
1 920 . 17 1 1 A 76 76 PHE CB C 76 42.072 41.966 0.106 1
1 926 . 17 1 1 A 76 76 PHE N N 76 120.244 119.991 0.253 1
1 927 . 17 1 1 A 77 77 ARG H H 77 8.783 8.239 0.544 1
1 928 . 17 1 1 A 77 77 ARG HA H 77 4.420 4.190 0.230 1
1 936 . 17 1 1 A 77 77 ARG C C 77 173.455 174.642 -1.187 1
1 937 . 17 1 1 A 77 77 ARG CA C 77 54.218 55.099 -0.881 1
1 938 . 17 1 1 A 77 77 ARG CB C 77 32.439 30.218 2.221 1
1 941 . 17 1 1 A 77 77 ARG N N 77 121.379 119.034 2.345 1
1 943 . 17 1 1 A 78 78 PHE H H 78 9.258 9.261 -0.003 1
1 944 . 17 1 1 A 78 78 PHE HA H 78 5.438 5.177 0.261 1
1 952 . 17 1 1 A 78 78 PHE C C 78 175.873 174.461 1.412 1
1 953 . 17 1 1 A 78 78 PHE CA C 78 55.173 56.831 -1.658 1
1 954 . 17 1 1 A 78 78 PHE CB C 78 44.530 39.770 4.760 1
1 960 . 17 1 1 A 78 78 PHE N N 78 128.097 126.414 1.683 1
1 961 . 17 1 1 A 79 79 ARG H H 79 9.242 8.841 0.401 1
1 962 . 17 1 1 A 79 79 ARG HA H 79 4.201 4.704 -0.503 1
1 969 . 17 1 1 A 79 79 ARG C C 79 175.316 175.888 -0.572 1
1 970 . 17 1 1 A 79 79 ARG CA C 79 55.255 56.768 -1.513 1
1 971 . 17 1 1 A 79 79 ARG CB C 79 29.358 30.557 -1.199 1
1 974 . 17 1 1 A 79 79 ARG N N 79 129.898 130.505 -0.607 1
1 975 . 17 1 1 A 80 80 SER H H 80 9.253 8.831 0.422 1
1 976 . 17 1 1 A 80 80 SER HA H 80 4.772 5.283 -0.511 1
1 979 . 17 1 1 A 80 80 SER C C 80 174.983 175.270 -0.287 1
1 980 . 17 1 1 A 80 80 SER CA C 80 58.191 57.220 0.971 1
1 981 . 17 1 1 A 80 80 SER CB C 80 64.930 65.445 -0.515 1
1 982 . 17 1 1 A 80 80 SER N N 80 128.002 120.778 7.224 1
1 983 . 17 1 1 A 81 81 LYS H H 81 8.065 8.868 -0.803 1
1 984 . 17 1 1 A 81 81 LYS HA H 81 3.675 3.542 0.133 1
1 993 . 17 1 1 A 81 81 LYS C C 81 177.417 177.804 -0.387 1
1 994 . 17 1 1 A 81 81 LYS CA C 81 59.236 58.569 0.667 1
1 995 . 17 1 1 A 81 81 LYS CB C 81 31.641 32.008 -0.367 1
1 999 . 17 1 1 A 81 81 LYS N N 81 123.505 121.329 2.176 1
1 1000 . 17 1 1 A 82 82 ASN H H 82 7.934 7.763 0.171 1
1 1001 . 17 1 1 A 82 82 ASN HA H 82 4.679 4.761 -0.082 1
1 1006 . 17 1 1 A 82 82 ASN C C 82 173.949 174.226 -0.277 1
1 1007 . 17 1 1 A 82 82 ASN CA C 82 52.764 52.746 0.018 1
1 1008 . 17 1 1 A 82 82 ASN CB C 82 37.428 38.478 -1.050 1
1 1009 . 17 1 1 A 82 82 ASN N N 82 115.202 114.339 0.863 1
1 1011 . 17 1 1 A 83 83 GLN H H 83 8.099 7.959 0.140 1
1 1012 . 17 1 1 A 83 83 GLN HA H 83 3.382 3.767 -0.385 1
1 1019 . 17 1 1 A 83 83 GLN C C 83 174.208 174.003 0.205 1
1 1020 . 17 1 1 A 83 83 GLN CA C 83 56.400 56.850 -0.450 1
1 1021 . 17 1 1 A 83 83 GLN CB C 83 25.003 26.094 -1.091 1
1 1023 . 17 1 1 A 83 83 GLN N N 83 112.357 115.860 -3.503 1
1 1025 . 17 1 1 A 84 84 GLU H H 84 7.385 7.617 -0.232 1
1 1026 . 17 1 1 A 84 84 GLU HA H 84 4.322 4.687 -0.365 1
1 1031 . 17 1 1 A 84 84 GLU CA C 84 54.720 54.644 0.076 1
1 1032 . 17 1 1 A 84 84 GLU CB C 84 31.713 32.586 -0.873 1
1 1034 . 17 1 1 A 84 84 GLU N N 84 117.557 116.496 1.061 1
1 1035 . 17 1 1 A 85 85 TRP H H 85 8.645 8.763 -0.118 1
1 1036 . 17 1 1 A 85 85 TRP HA H 85 5.145 4.804 0.341 1
1 1045 . 17 1 1 A 85 85 TRP C C 85 175.772 175.688 0.084 1
1 1046 . 17 1 1 A 85 85 TRP CA C 85 55.591 56.748 -1.157 1
1 1047 . 17 1 1 A 85 85 TRP CB C 85 30.113 27.868 2.245 1
1 1053 . 17 1 1 A 85 85 TRP N N 85 121.388 123.569 -2.181 1
1 1055 . 17 1 1 A 86 86 LEU H H 86 9.348 8.591 0.757 1
1 1056 . 17 1 1 A 86 86 LEU HA H 86 4.847 4.678 0.169 1
1 1066 . 17 1 1 A 86 86 LEU C C 86 176.991 176.539 0.452 1
1 1067 . 17 1 1 A 86 86 LEU CA C 86 53.102 54.732 -1.630 1
1 1068 . 17 1 1 A 86 86 LEU CB C 86 44.527 41.442 3.085 1
1 1071 . 17 1 1 A 86 86 LEU N N 86 126.537 125.487 1.050 1
1 1072 . 17 1 1 A 87 87 TRP H H 87 8.870 8.926 -0.056 1
1 1073 . 17 1 1 A 87 87 TRP HA H 87 4.465 4.938 -0.473 1
1 1082 . 17 1 1 A 87 87 TRP C C 87 175.731 176.959 -1.228 1
1 1083 . 17 1 1 A 87 87 TRP CA C 87 59.207 58.184 1.023 1
1 1084 . 17 1 1 A 87 87 TRP CB C 87 29.736 30.239 -0.503 1
1 1090 . 17 1 1 A 87 87 TRP N N 87 123.902 126.863 -2.961 1
1 1092 . 17 1 1 A 88 88 MET H H 88 9.432 9.099 0.333 1
1 1093 . 17 1 1 A 88 88 MET HA H 88 5.267 5.653 -0.386 1
1 1101 . 17 1 1 A 88 88 MET C C 88 174.713 174.210 0.503 1
1 1102 . 17 1 1 A 88 88 MET CA C 88 52.557 54.243 -1.686 1
1 1103 . 17 1 1 A 88 88 MET CB C 88 36.139 37.477 -1.338 1
1 1106 . 17 1 1 A 88 88 MET N N 88 123.412 121.824 1.588 1
1 1107 . 17 1 1 A 89 89 ARG H H 89 9.282 9.016 0.266 1
1 1108 . 17 1 1 A 89 89 ARG HA H 89 5.702 5.219 0.483 1
1 1115 . 17 1 1 A 89 89 ARG C C 89 177.137 175.882 1.255 1
1 1116 . 17 1 1 A 89 89 ARG CA C 89 54.266 54.695 -0.429 1
1 1117 . 17 1 1 A 89 89 ARG CB C 89 34.404 32.186 2.218 1
1 1120 . 17 1 1 A 89 89 ARG N N 89 119.570 121.270 -1.700 1
1 1121 . 17 1 1 A 90 90 THR H H 90 9.298 9.174 0.124 1
1 1122 . 17 1 1 A 90 90 THR HA H 90 5.625 5.313 0.312 1
1 1127 . 17 1 1 A 90 90 THR C C 90 176.787 174.462 2.325 1
1 1128 . 17 1 1 A 90 90 THR CA C 90 60.327 60.475 -0.148 1
1 1129 . 17 1 1 A 90 90 THR CB C 90 72.187 70.424 1.763 1
1 1131 . 17 1 1 A 90 90 THR N N 90 115.133 117.645 -2.512 1
1 1132 . 17 1 1 A 91 91 SER H H 91 8.194 8.777 -0.583 1
1 1133 . 17 1 1 A 91 91 SER HA H 91 4.860 5.104 -0.244 1
1 1136 . 17 1 1 A 91 91 SER C C 91 175.171 173.197 1.974 1
1 1137 . 17 1 1 A 91 91 SER CA C 91 59.224 57.245 1.979 1
1 1138 . 17 1 1 A 91 91 SER CB C 91 64.094 63.606 0.488 1
1 1139 . 17 1 1 A 91 91 SER N N 91 114.043 121.048 -7.005 1
1 1140 . 17 1 1 A 92 92 SER H H 92 9.864 8.103 1.761 1
1 1141 . 17 1 1 A 92 92 SER HA H 92 6.204 4.931 1.273 1
1 1144 . 17 1 1 A 92 92 SER C C 92 171.748 174.168 -2.420 1
1 1145 . 17 1 1 A 92 92 SER CA C 92 58.818 59.588 -0.770 1
1 1146 . 17 1 1 A 92 92 SER CB C 92 66.419 63.899 2.520 1
1 1147 . 17 1 1 A 92 92 SER N N 92 125.442 121.590 3.852 1
1 1148 . 17 1 1 A 93 93 GLN H H 93 8.873 8.675 0.198 1
1 1149 . 17 1 1 A 93 93 GLN HA H 93 5.048 5.124 -0.076 1
1 1156 . 17 1 1 A 93 93 GLN C C 93 174.145 174.639 -0.494 1
1 1157 . 17 1 1 A 93 93 GLN CA C 93 54.262 54.437 -0.175 1
1 1158 . 17 1 1 A 93 93 GLN CB C 93 33.131 32.689 0.442 1
1 1160 . 17 1 1 A 93 93 GLN N N 93 117.328 122.397 -5.069 1
1 1162 . 17 1 1 A 94 94 THR H H 94 8.846 8.694 0.152 1
1 1163 . 17 1 1 A 94 94 THR HA H 94 3.979 4.576 -0.597 1
1 1168 . 17 1 1 A 94 94 THR C C 94 174.677 174.567 0.110 1
1 1169 . 17 1 1 A 94 94 THR CA C 94 64.467 62.629 1.838 1
1 1170 . 17 1 1 A 94 94 THR CB C 94 68.894 69.230 -0.336 1
1 1172 . 17 1 1 A 94 94 THR N N 94 116.526 113.350 3.176 1
1 1173 . 17 1 1 A 95 95 ALA H H 95 8.188 8.675 -0.487 1
1 1174 . 17 1 1 A 95 95 ALA HA H 95 4.161 4.347 -0.186 1
1 1178 . 17 1 1 A 95 95 ALA C C 95 176.285 177.998 -1.713 1
1 1179 . 17 1 1 A 95 95 ALA CA C 95 51.847 52.408 -0.561 1
1 1180 . 17 1 1 A 95 95 ALA CB C 95 18.999 20.247 -1.248 1
1 1181 . 17 1 1 A 95 95 ALA N N 95 126.311 128.281 -1.970 1
1 1182 . 17 1 1 A 96 96 GLN H H 96 8.324 8.573 -0.249 1
1 1183 . 17 1 1 A 96 96 GLN HA H 96 4.175 4.171 0.004 1
1 1190 . 17 1 1 A 96 96 GLN C C 96 176.230 175.994 0.236 1
1 1191 . 17 1 1 A 96 96 GLN CA C 96 54.621 57.782 -3.161 1
1 1192 . 17 1 1 A 96 96 GLN CB C 96 30.003 28.918 1.085 1
1 1194 . 17 1 1 A 96 96 GLN N N 96 116.920 119.351 -2.431 1
1 1196 . 17 1 1 A 97 97 ASN H H 97 8.512 7.709 0.803 1
1 1197 . 17 1 1 A 97 97 ASN HA H 97 4.436 4.711 -0.275 1
1 1200 . 17 1 1 A 97 97 ASN CA C 97 52.928 51.169 1.759 1
1 1201 . 17 1 1 A 97 97 ASN CB C 97 37.851 40.664 -2.813 1
1 1202 . 17 1 1 A 97 97 ASN N N 97 119.656 112.210 7.446 1
1 1203 . 17 1 1 A 98 98 PRO HA H 98 4.566 4.357 0.209 1
1 1210 . 17 1 1 A 98 98 PRO C C 98 175.164 175.776 -0.612 1
1 1211 . 17 1 1 A 98 98 PRO CA C 98 63.824 63.680 0.144 1
1 1212 . 17 1 1 A 98 98 PRO CB C 98 32.473 32.319 0.154 1
1 1215 . 17 1 1 A 99 99 TYR H H 99 8.780 7.188 1.592 1
1 1216 . 17 1 1 A 99 99 TYR HA H 99 4.996 4.675 0.321 1
1 1223 . 17 1 1 A 99 99 TYR C C 99 176.421 176.142 0.279 1
1 1224 . 17 1 1 A 99 99 TYR CA C 99 55.837 57.380 -1.543 1
1 1225 . 17 1 1 A 99 99 TYR CB C 99 37.199 37.773 -0.574 1
1 1230 . 17 1 1 A 99 99 TYR N N 99 127.975 118.962 9.013 1
1 1231 . 17 1 1 A 100 100 SER H H 100 7.655 8.074 -0.419 1
1 1232 . 17 1 1 A 100 100 SER HA H 100 4.274 4.499 -0.225 1
1 1235 . 17 1 1 A 100 100 SER C C 100 174.144 176.802 -2.658 1
1 1236 . 17 1 1 A 100 100 SER CA C 100 60.567 61.201 -0.634 1
1 1237 . 17 1 1 A 100 100 SER CB C 100 63.266 63.123 0.143 1
1 1238 . 17 1 1 A 100 100 SER N N 100 113.164 117.192 -4.028 1
1 1239 . 17 1 1 A 101 101 ASP H H 101 8.736 8.122 0.614 1
1 1240 . 17 1 1 A 101 101 ASP HA H 101 4.688 4.558 0.130 1
1 1243 . 17 1 1 A 101 101 ASP C C 101 175.535 176.365 -0.830 1
1 1244 . 17 1 1 A 101 101 ASP CA C 101 54.103 55.651 -1.548 1
1 1245 . 17 1 1 A 101 101 ASP CB C 101 40.098 40.994 -0.896 1
1 1246 . 17 1 1 A 101 101 ASP N N 101 118.476 120.719 -2.243 1
1 1247 . 17 1 1 A 102 102 GLU H H 102 8.127 8.517 -0.390 1
1 1248 . 17 1 1 A 102 102 GLU HA H 102 4.448 4.723 -0.275 1
1 1253 . 17 1 1 A 102 102 GLU CA C 102 54.963 55.396 -0.433 1
1 1254 . 17 1 1 A 102 102 GLU CB C 102 31.769 31.464 0.305 1
1 1256 . 17 1 1 A 102 102 GLU N N 102 119.744 118.470 1.274 1
1 1257 . 17 1 1 A 103 103 ILE H H 103 8.645 8.463 0.182 1
1 1258 . 17 1 1 A 103 103 ILE HA H 103 4.001 4.709 -0.708 1
1 1268 . 17 1 1 A 103 103 ILE C C 103 174.065 174.628 -0.563 1
1 1269 . 17 1 1 A 103 103 ILE CA C 103 60.418 60.871 -0.453 1
1 1270 . 17 1 1 A 103 103 ILE CB C 103 40.781 40.661 0.120 1
1 1274 . 17 1 1 A 103 103 ILE N N 103 121.388 120.737 0.651 1
1 1275 . 17 1 1 A 104 104 GLU H H 104 8.957 9.133 -0.176 1
1 1276 . 17 1 1 A 104 104 GLU HA H 104 5.099 4.575 0.524 1
1 1281 . 17 1 1 A 104 104 GLU C C 104 175.093 175.275 -0.182 1
1 1282 . 17 1 1 A 104 104 GLU CA C 104 54.898 56.169 -1.271 1
1 1283 . 17 1 1 A 104 104 GLU CB C 104 32.330 30.045 2.285 1
1 1285 . 17 1 1 A 104 104 GLU N N 104 125.935 128.375 -2.440 1
1 1286 . 17 1 1 A 105 105 THR H H 105 8.774 8.729 0.045 1
1 1287 . 17 1 1 A 105 105 THR HA H 105 5.226 4.956 0.270 1
1 1292 . 17 1 1 A 105 105 THR C C 105 174.876 173.779 1.097 1
1 1293 . 17 1 1 A 105 105 THR CA C 105 61.469 62.346 -0.877 1
1 1294 . 17 1 1 A 105 105 THR CB C 105 70.382 69.861 0.521 1
1 1296 . 17 1 1 A 105 105 THR N N 105 127.200 121.118 6.082 1
1 1297 . 17 1 1 A 106 106 ILE H H 106 9.186 9.033 0.153 1
1 1298 . 17 1 1 A 106 106 ILE HA H 106 4.486 4.635 -0.149 1
1 1308 . 17 1 1 A 106 106 ILE C C 106 175.412 175.157 0.255 1
1 1309 . 17 1 1 A 106 106 ILE CA C 106 61.423 60.394 1.029 1
1 1310 . 17 1 1 A 106 106 ILE CB C 106 38.432 37.742 0.690 1
1 1313 . 17 1 1 A 106 106 ILE N N 106 107.991 128.464 -20.473 1
1 1314 . 17 1 1 A 107 107 ILE H H 107 8.431 8.302 0.129 1
1 1315 . 17 1 1 A 107 107 ILE HA H 107 4.239 4.445 -0.206 1
1 1325 . 17 1 1 A 107 107 ILE C C 107 173.805 174.645 -0.840 1
1 1326 . 17 1 1 A 107 107 ILE CA C 107 61.459 60.726 0.733 1
1 1327 . 17 1 1 A 107 107 ILE CB C 107 37.499 37.163 0.336 1
1 1331 . 17 1 1 A 107 107 ILE N N 107 129.202 128.211 0.991 1
1 1332 . 17 1 1 A 108 108 CYS H H 108 8.581 9.164 -0.583 1
1 1333 . 17 1 1 A 108 108 CYS HA H 108 5.298 5.248 0.050 1
1 1336 . 17 1 1 A 108 108 CYS C C 108 174.235 173.956 0.279 1
1 1337 . 17 1 1 A 108 108 CYS CA C 108 55.861 56.996 -1.135 1
1 1338 . 17 1 1 A 108 108 CYS CB C 108 31.110 31.030 0.080 1
1 1339 . 17 1 1 A 108 108 CYS N N 108 124.561 128.120 -3.559 1
1 1340 . 17 1 1 A 109 109 THR H H 109 8.701 8.760 -0.059 1
1 1341 . 17 1 1 A 109 109 THR HA H 109 4.733 4.456 0.277 1
1 1346 . 17 1 1 A 109 109 THR C C 109 174.927 173.891 1.036 1
1 1347 . 17 1 1 A 109 109 THR CA C 109 63.466 62.492 0.974 1
1 1348 . 17 1 1 A 109 109 THR CB C 109 69.636 69.704 -0.068 1
1 1350 . 17 1 1 A 109 109 THR N N 109 119.017 118.419 0.598 1
1 1351 . 17 1 1 A 110 110 ASN H H 110 8.527 8.934 -0.407 1
1 1352 . 17 1 1 A 110 110 ASN HA H 110 4.891 5.783 -0.892 1
1 1357 . 17 1 1 A 110 110 ASN C C 110 174.829 174.010 0.819 1
1 1358 . 17 1 1 A 110 110 ASN CA C 110 53.104 52.232 0.872 1
1 1359 . 17 1 1 A 110 110 ASN CB C 110 39.813 41.394 -1.581 1
1 1360 . 17 1 1 A 110 110 ASN N N 110 122.861 122.970 -0.109 1
1 1362 . 17 1 1 A 111 111 THR H H 111 8.159 8.576 -0.417 1
1 1363 . 17 1 1 A 111 111 THR HA H 111 4.407 4.914 -0.507 1
1 1368 . 17 1 1 A 111 111 THR C C 111 174.189 173.173 1.016 1
1 1369 . 17 1 1 A 111 111 THR CA C 111 61.900 61.177 0.723 1
1 1370 . 17 1 1 A 111 111 THR CB C 111 69.400 70.827 -1.427 1
1 1372 . 17 1 1 A 111 111 THR N N 111 114.879 116.526 -1.647 1
1 1373 . 17 1 1 A 112 112 ASN H H 112 8.359 8.825 -0.466 1
1 1374 . 17 1 1 A 112 112 ASN N N 112 121.000 119.508 1.492 1
1 1375 . 17 1 1 A 117 117 SER C C 117 174.242 174.226 0.016 1
1 1376 . 17 1 1 A 117 117 SER CA C 117 58.557 60.674 -2.117 1
1 1377 . 17 1 1 A 117 117 SER CB C 117 63.729 61.963 1.766 1
1 1378 . 17 1 1 A 118 118 GLN H H 118 8.304 9.002 -0.698 1
1 1379 . 17 1 1 A 118 118 GLN C C 118 174.889 175.140 -0.251 1
1 1380 . 17 1 1 A 118 118 GLN CA C 118 55.764 56.711 -0.947 1
1 1381 . 17 1 1 A 118 118 GLN CB C 118 29.659 27.378 2.281 1
1 1382 . 17 1 1 A 118 118 GLN N N 118 122.171 122.523 -0.352 1
1 1 . 18 1 1 A 2 2 ALA HA H 2 4.298 4.895 -0.597 1
1 5 . 18 1 1 A 2 2 ALA CA C 2 53.448 51.689 1.759 1
1 6 . 18 1 1 A 2 2 ALA CB C 2 19.236 20.975 -1.739 1
1 7 . 18 1 1 A 3 3 MET H H 3 8.518 9.060 -0.542 1
1 12 . 18 1 1 A 3 3 MET N N 3 117.762 125.040 -7.278 1
1 13 . 18 1 1 A 4 4 ASP CA C 4 54.632 52.780 1.852 1
1 14 . 18 1 1 A 4 4 ASP CB C 4 41.102 42.116 -1.014 1
1 15 . 18 1 1 A 5 5 ASN H H 5 8.332 9.022 -0.690 1
1 18 . 18 1 1 A 5 5 ASN CA C 5 53.361 54.586 -1.225 1
1 19 . 18 1 1 A 5 5 ASN CB C 5 38.775 40.217 -1.442 1
1 20 . 18 1 1 A 5 5 ASN N N 5 118.200 122.084 -3.884 1
1 22 . 18 1 1 A 6 6 VAL H H 6 7.939 7.591 0.348 1
1 23 . 18 1 1 A 6 6 VAL HA H 6 4.142 4.435 -0.293 1
1 31 . 18 1 1 A 6 6 VAL CA C 6 62.634 58.898 3.736 1
1 32 . 18 1 1 A 6 6 VAL CB C 6 32.598 34.823 -2.225 1
1 35 . 18 1 1 A 6 6 VAL N N 6 120.396 112.969 7.427 1
1 36 . 18 1 1 A 7 7 CYS H H 7 8.304 8.773 -0.469 1
1 37 . 18 1 1 A 7 7 CYS CA C 7 56.095 62.072 -5.977 1
1 38 . 18 1 1 A 7 7 CYS CB C 7 32.967 27.733 5.234 1
1 39 . 18 1 1 A 7 7 CYS N N 7 124.774 120.507 4.267 1
1 40 . 18 1 1 A 9 9 PRO HA H 9 4.547 4.784 -0.237 1
1 46 . 18 1 1 A 9 9 PRO C C 9 176.493 175.736 0.757 1
1 47 . 18 1 1 A 9 9 PRO CA C 9 63.142 62.367 0.775 1
1 48 . 18 1 1 A 9 9 PRO CB C 9 32.554 33.224 -0.670 1
1 51 . 18 1 1 A 10 10 THR H H 10 8.368 8.823 -0.455 1
1 52 . 18 1 1 A 10 10 THR HA H 10 4.418 4.520 -0.102 1
1 57 . 18 1 1 A 10 10 THR C C 10 172.743 173.626 -0.883 1
1 58 . 18 1 1 A 10 10 THR CA C 10 61.197 62.859 -1.662 1
1 59 . 18 1 1 A 10 10 THR CB C 10 69.660 71.410 -1.750 1
1 61 . 18 1 1 A 10 10 THR N N 10 112.513 113.927 -1.414 1
1 62 . 18 1 1 A 11 11 GLU H H 11 7.813 7.919 -0.106 1
1 63 . 18 1 1 A 11 11 GLU HA H 11 5.549 5.131 0.418 1
1 68 . 18 1 1 A 11 11 GLU C C 11 173.062 174.070 -1.008 1
1 69 . 18 1 1 A 11 11 GLU CA C 11 53.855 55.533 -1.678 1
1 70 . 18 1 1 A 11 11 GLU CB C 11 33.820 32.791 1.029 1
1 72 . 18 1 1 A 11 11 GLU N N 11 119.491 116.406 3.085 1
1 73 . 18 1 1 A 12 12 PHE H H 12 8.198 8.893 -0.695 1
1 74 . 18 1 1 A 12 12 PHE HA H 12 5.014 5.901 -0.887 1
1 82 . 18 1 1 A 12 12 PHE C C 12 171.976 173.666 -1.690 1
1 83 . 18 1 1 A 12 12 PHE CA C 12 55.597 55.300 0.297 1
1 84 . 18 1 1 A 12 12 PHE CB C 12 42.384 42.121 0.263 1
1 90 . 18 1 1 A 12 12 PHE N N 12 111.146 117.187 -6.041 1
1 91 . 18 1 1 A 13 13 ILE H H 13 8.655 8.604 0.051 1
1 92 . 18 1 1 A 13 13 ILE HA H 13 4.165 4.302 -0.137 1
1 102 . 18 1 1 A 13 13 ILE C C 13 173.432 175.473 -2.041 1
1 103 . 18 1 1 A 13 13 ILE CA C 13 62.270 62.153 0.117 1
1 104 . 18 1 1 A 13 13 ILE CB C 13 39.957 37.189 2.768 1
1 108 . 18 1 1 A 13 13 ILE N N 13 121.427 124.446 -3.019 1
1 109 . 18 1 1 A 14 14 SER H H 14 8.034 8.620 -0.586 1
1 110 . 18 1 1 A 14 14 SER HA H 14 5.588 5.454 0.134 1
1 113 . 18 1 1 A 14 14 SER C C 14 173.429 173.838 -0.409 1
1 114 . 18 1 1 A 14 14 SER CA C 14 56.650 56.660 -0.010 1
1 115 . 18 1 1 A 14 14 SER CB C 14 70.177 64.644 5.533 1
1 116 . 18 1 1 A 14 14 SER N N 14 121.358 122.509 -1.151 1
1 117 . 18 1 1 A 15 15 ARG H H 15 9.545 9.206 0.339 1
1 118 . 18 1 1 A 15 15 ARG HA H 15 5.826 4.838 0.988 1
1 126 . 18 1 1 A 15 15 ARG C C 15 176.042 175.539 0.503 1
1 127 . 18 1 1 A 15 15 ARG CA C 15 55.105 55.236 -0.131 1
1 128 . 18 1 1 A 15 15 ARG CB C 15 35.587 32.585 3.002 1
1 131 . 18 1 1 A 15 15 ARG N N 15 118.317 125.321 -7.004 1
1 133 . 18 1 1 A 16 16 HIS H H 16 8.730 8.212 0.518 1
1 134 . 18 1 1 A 16 16 HIS HA H 16 5.555 5.408 0.147 1
1 141 . 18 1 1 A 16 16 HIS C C 16 174.062 172.957 1.105 1
1 142 . 18 1 1 A 16 16 HIS CA C 16 54.057 54.545 -0.488 1
1 143 . 18 1 1 A 16 16 HIS CB C 16 31.334 31.348 -0.014 1
1 146 . 18 1 1 A 16 16 HIS N N 16 117.425 117.496 -0.071 1
1 148 . 18 1 1 A 17 17 ASN H H 17 8.201 8.504 -0.303 1
1 149 . 18 1 1 A 17 17 ASN HA H 17 4.897 4.986 -0.089 1
1 154 . 18 1 1 A 17 17 ASN C C 17 178.263 175.632 2.631 1
1 155 . 18 1 1 A 17 17 ASN CA C 17 51.104 51.298 -0.194 1
1 156 . 18 1 1 A 17 17 ASN CB C 17 38.469 39.608 -1.139 1
1 157 . 18 1 1 A 17 17 ASN N N 17 116.276 118.055 -1.779 1
1 159 . 18 1 1 A 18 18 ILE H H 18 8.774 8.724 0.050 1
1 160 . 18 1 1 A 18 18 ILE HA H 18 3.795 3.884 -0.089 1
1 170 . 18 1 1 A 18 18 ILE C C 18 174.851 177.687 -2.836 1
1 171 . 18 1 1 A 18 18 ILE CA C 18 64.399 64.103 0.296 1
1 172 . 18 1 1 A 18 18 ILE CB C 18 38.072 37.955 0.117 1
1 176 . 18 1 1 A 18 18 ILE N N 18 120.001 119.840 0.161 1
1 177 . 18 1 1 A 19 19 GLU H H 19 7.213 8.148 -0.935 1
1 178 . 18 1 1 A 19 19 GLU HA H 19 4.225 4.113 0.112 1
1 183 . 18 1 1 A 19 19 GLU CA C 19 57.145 56.819 0.326 1
1 184 . 18 1 1 A 19 19 GLU CB C 19 29.878 29.788 0.090 1
1 186 . 18 1 1 A 19 19 GLU N N 19 116.538 119.920 -3.382 1
1 187 . 18 1 1 A 20 20 GLY H H 20 7.845 7.790 0.055 1
1 188 . 18 1 1 A 20 20 GLY HA2 H 20 4.878 2.735 2.143 1
1 189 . 18 1 1 A 20 20 GLY HA3 H 20 2.886 3.610 -0.724 1
1 190 . 18 1 1 A 20 20 GLY C C 20 172.992 174.067 -1.075 1
1 191 . 18 1 1 A 20 20 GLY CA C 20 44.049 44.295 -0.246 1
1 192 . 18 1 1 A 20 20 GLY N N 20 104.883 106.154 -1.271 1
1 193 . 18 1 1 A 21 21 ILE H H 21 7.841 7.608 0.233 1
1 194 . 18 1 1 A 21 21 ILE HA H 21 3.995 4.306 -0.311 1
1 204 . 18 1 1 A 21 21 ILE C C 21 176.915 175.479 1.436 1
1 205 . 18 1 1 A 21 21 ILE CA C 21 60.302 61.747 -1.445 1
1 206 . 18 1 1 A 21 21 ILE CB C 21 36.111 38.026 -1.915 1
1 210 . 18 1 1 A 21 21 ILE N N 21 120.855 122.666 -1.811 1
1 211 . 18 1 1 A 22 22 PHE H H 22 8.896 8.823 0.073 1
1 212 . 18 1 1 A 22 22 PHE HA H 22 5.052 4.984 0.068 1
1 220 . 18 1 1 A 22 22 PHE C C 22 177.971 176.236 1.735 1
1 221 . 18 1 1 A 22 22 PHE CA C 22 59.625 58.831 0.794 1
1 222 . 18 1 1 A 22 22 PHE CB C 22 39.984 39.106 0.878 1
1 228 . 18 1 1 A 22 22 PHE N N 22 125.849 128.418 -2.569 1
1 229 . 18 1 1 A 23 23 THR H H 23 9.771 8.871 0.900 1
1 230 . 18 1 1 A 23 23 THR HA H 23 4.403 4.508 -0.105 1
1 235 . 18 1 1 A 23 23 THR C C 23 175.589 174.556 1.033 1
1 236 . 18 1 1 A 23 23 THR CA C 23 61.611 62.261 -0.650 1
1 237 . 18 1 1 A 23 23 THR CB C 23 69.193 69.197 -0.004 1
1 239 . 18 1 1 A 23 23 THR N N 23 117.677 115.437 2.240 1
1 240 . 18 1 1 A 24 24 PHE H H 24 7.948 7.435 0.513 1
1 241 . 18 1 1 A 24 24 PHE HA H 24 4.483 4.789 -0.306 1
1 249 . 18 1 1 A 24 24 PHE C C 24 173.376 173.276 0.100 1
1 250 . 18 1 1 A 24 24 PHE CA C 24 59.142 58.245 0.897 1
1 251 . 18 1 1 A 24 24 PHE CB C 24 42.161 42.399 -0.238 1
1 257 . 18 1 1 A 24 24 PHE N N 24 123.378 121.191 2.187 1
1 258 . 18 1 1 A 25 25 VAL H H 25 7.340 7.476 -0.136 1
1 259 . 18 1 1 A 25 25 VAL HA H 25 4.166 4.289 -0.123 1
1 267 . 18 1 1 A 25 25 VAL C C 25 173.103 173.626 -0.523 1
1 268 . 18 1 1 A 25 25 VAL CA C 25 61.539 60.405 1.134 1
1 269 . 18 1 1 A 25 25 VAL CB C 25 35.683 35.093 0.590 1
1 272 . 18 1 1 A 25 25 VAL N N 25 124.777 123.830 0.947 1
1 273 . 18 1 1 A 26 26 ASP H H 26 7.942 8.459 -0.517 1
1 274 . 18 1 1 A 26 26 ASP HA H 26 4.466 4.541 -0.075 1
1 277 . 18 1 1 A 26 26 ASP C C 26 175.258 177.280 -2.022 1
1 278 . 18 1 1 A 26 26 ASP CA C 26 53.318 54.458 -1.140 1
1 279 . 18 1 1 A 26 26 ASP CB C 26 42.461 42.291 0.170 1
1 280 . 18 1 1 A 26 26 ASP N N 26 125.573 126.544 -0.971 1
1 281 . 18 1 1 A 27 27 HIS H H 27 8.115 8.999 -0.884 1
1 282 . 18 1 1 A 27 27 HIS HA H 27 4.222 4.106 0.116 1
1 286 . 18 1 1 A 27 27 HIS C C 27 177.268 176.482 0.786 1
1 287 . 18 1 1 A 27 27 HIS CA C 27 59.164 58.733 0.431 1
1 288 . 18 1 1 A 27 27 HIS CB C 27 30.374 29.233 1.141 1
1 290 . 18 1 1 A 27 27 HIS N N 27 117.576 123.620 -6.044 1
1 291 . 18 1 1 A 28 28 ARG H H 28 8.724 7.825 0.899 1
1 292 . 18 1 1 A 28 28 ARG HA H 28 4.210 3.732 0.478 1
1 300 . 18 1 1 A 28 28 ARG C C 28 177.838 179.184 -1.346 1
1 301 . 18 1 1 A 28 28 ARG CA C 28 58.199 59.083 -0.884 1
1 302 . 18 1 1 A 28 28 ARG CB C 28 29.815 29.444 0.371 1
1 305 . 18 1 1 A 28 28 ARG N N 28 122.414 120.530 1.884 1
1 307 . 18 1 1 A 29 29 CYS H H 29 8.102 8.213 -0.111 1
1 308 . 18 1 1 A 29 29 CYS HA H 29 3.124 3.101 0.023 1
1 311 . 18 1 1 A 29 29 CYS C C 29 175.551 177.029 -1.478 1
1 312 . 18 1 1 A 29 29 CYS CA C 29 59.988 60.922 -0.934 1
1 313 . 18 1 1 A 29 29 CYS CB C 29 25.101 26.121 -1.020 1
1 314 . 18 1 1 A 29 29 CYS N N 29 119.987 117.591 2.396 1
1 315 . 18 1 1 A 30 30 VAL H H 30 7.139 7.108 0.031 1
1 316 . 18 1 1 A 30 30 VAL HA H 30 3.373 3.636 -0.263 1
1 324 . 18 1 1 A 30 30 VAL C C 30 178.225 177.967 0.258 1
1 325 . 18 1 1 A 30 30 VAL CA C 30 65.903 64.566 1.337 1
1 326 . 18 1 1 A 30 30 VAL CB C 30 31.446 31.533 -0.087 1
1 329 . 18 1 1 A 30 30 VAL N N 30 125.016 119.734 5.282 1
1 330 . 18 1 1 A 31 31 ALA H H 31 7.393 7.757 -0.364 1
1 331 . 18 1 1 A 31 31 ALA HA H 31 4.126 4.085 0.041 1
1 335 . 18 1 1 A 31 31 ALA C C 31 178.111 179.729 -1.618 1
1 336 . 18 1 1 A 31 31 ALA CA C 31 53.715 54.375 -0.660 1
1 337 . 18 1 1 A 31 31 ALA CB C 31 19.223 18.424 0.799 1
1 338 . 18 1 1 A 31 31 ALA N N 31 120.554 124.126 -3.572 1
1 339 . 18 1 1 A 32 32 THR H H 32 7.253 7.743 -0.490 1
1 340 . 18 1 1 A 32 32 THR HA H 32 4.116 4.059 0.057 1
1 345 . 18 1 1 A 32 32 THR C C 32 175.655 176.032 -0.377 1
1 346 . 18 1 1 A 32 32 THR CA C 32 64.727 65.494 -0.767 1
1 347 . 18 1 1 A 32 32 THR CB C 32 69.144 69.350 -0.206 1
1 349 . 18 1 1 A 32 32 THR N N 32 109.150 113.597 -4.447 1
1 350 . 18 1 1 A 33 33 VAL H H 33 7.939 7.703 0.236 1
1 351 . 18 1 1 A 33 33 VAL HA H 33 4.504 4.329 0.175 1
1 359 . 18 1 1 A 33 33 VAL C C 33 175.594 176.256 -0.662 1
1 360 . 18 1 1 A 33 33 VAL CA C 33 60.596 60.488 0.108 1
1 361 . 18 1 1 A 33 33 VAL CB C 33 34.900 31.404 3.496 1
1 364 . 18 1 1 A 33 33 VAL N N 33 108.519 113.164 -4.645 1
1 365 . 18 1 1 A 34 34 GLY H H 34 7.439 7.783 -0.344 1
1 366 . 18 1 1 A 34 34 GLY HA2 H 34 4.099 3.677 0.422 1
1 367 . 18 1 1 A 34 34 GLY HA3 H 34 3.846 3.784 0.062 1
1 368 . 18 1 1 A 34 34 GLY C C 34 173.655 173.553 0.102 1
1 369 . 18 1 1 A 34 34 GLY CA C 34 46.538 45.351 1.187 1
1 370 . 18 1 1 A 34 34 GLY N N 34 109.672 110.196 -0.524 1
1 371 . 18 1 1 A 35 35 TYR H H 35 6.215 7.443 -1.228 1
1 372 . 18 1 1 A 35 35 TYR HA H 35 4.415 4.882 -0.467 1
1 379 . 18 1 1 A 35 35 TYR C C 35 174.492 175.235 -0.743 1
1 380 . 18 1 1 A 35 35 TYR CA C 35 57.289 58.875 -1.586 1
1 381 . 18 1 1 A 35 35 TYR CB C 35 40.784 38.233 2.551 1
1 386 . 18 1 1 A 35 35 TYR N N 35 117.067 119.979 -2.912 1
1 387 . 18 1 1 A 36 36 GLN H H 36 9.145 8.557 0.588 1
1 388 . 18 1 1 A 36 36 GLN HA H 36 4.285 4.230 0.055 1
1 393 . 18 1 1 A 36 36 GLN CA C 36 53.760 54.624 -0.864 1
1 394 . 18 1 1 A 36 36 GLN CB C 36 27.558 28.462 -0.904 1
1 396 . 18 1 1 A 36 36 GLN N N 36 117.664 124.173 -6.509 1
1 397 . 18 1 1 A 37 37 PRO HA H 37 3.755 4.036 -0.281 1
1 404 . 18 1 1 A 37 37 PRO C C 37 178.629 178.205 0.424 1
1 405 . 18 1 1 A 37 37 PRO CA C 37 66.415 65.813 0.602 1
1 406 . 18 1 1 A 37 37 PRO CB C 37 31.313 31.669 -0.356 1
1 409 . 18 1 1 A 38 38 GLN H H 38 8.870 8.804 0.066 1
1 410 . 18 1 1 A 38 38 GLN HA H 38 3.996 4.070 -0.074 1
1 415 . 18 1 1 A 38 38 GLN C C 38 177.121 177.627 -0.506 1
1 416 . 18 1 1 A 38 38 GLN CA C 38 58.468 58.673 -0.205 1
1 417 . 18 1 1 A 38 38 GLN CB C 38 27.259 27.681 -0.422 1
1 419 . 18 1 1 A 38 38 GLN N N 38 113.031 115.348 -2.317 1
1 420 . 18 1 1 A 39 39 GLU H H 39 7.799 7.957 -0.158 1
1 421 . 18 1 1 A 39 39 GLU HA H 39 4.203 4.230 -0.027 1
1 426 . 18 1 1 A 39 39 GLU C C 39 175.485 177.094 -1.609 1
1 427 . 18 1 1 A 39 39 GLU CA C 39 57.598 58.460 -0.862 1
1 428 . 18 1 1 A 39 39 GLU CB C 39 30.955 29.561 1.394 1
1 430 . 18 1 1 A 39 39 GLU N N 39 117.366 119.338 -1.972 1
1 431 . 18 1 1 A 40 40 LEU H H 40 7.001 7.308 -0.307 1
1 432 . 18 1 1 A 40 40 LEU HA H 40 4.205 4.501 -0.296 1
1 442 . 18 1 1 A 40 40 LEU C C 40 176.417 177.291 -0.874 1
1 443 . 18 1 1 A 40 40 LEU CA C 40 55.345 55.867 -0.522 1
1 444 . 18 1 1 A 40 40 LEU CB C 40 43.190 43.575 -0.385 1
1 448 . 18 1 1 A 40 40 LEU N N 40 116.615 118.154 -1.539 1
1 449 . 18 1 1 A 41 41 LEU H H 41 7.521 7.987 -0.466 1
1 450 . 18 1 1 A 41 41 LEU HA H 41 3.678 4.294 -0.616 1
1 460 . 18 1 1 A 41 41 LEU C C 41 177.754 177.962 -0.208 1
1 461 . 18 1 1 A 41 41 LEU CA C 41 57.050 57.258 -0.208 1
1 462 . 18 1 1 A 41 41 LEU CB C 41 42.155 41.611 0.544 1
1 466 . 18 1 1 A 41 41 LEU N N 41 117.814 121.161 -3.347 1
1 467 . 18 1 1 A 42 42 GLY H H 42 8.535 9.289 -0.754 1
1 468 . 18 1 1 A 42 42 GLY HA2 H 42 4.328 4.012 0.316 1
1 469 . 18 1 1 A 42 42 GLY HA3 H 42 3.601 4.013 -0.412 1
1 470 . 18 1 1 A 42 42 GLY C C 42 173.808 173.720 0.088 1
1 471 . 18 1 1 A 42 42 GLY CA C 42 45.689 45.385 0.304 1
1 472 . 18 1 1 A 42 42 GLY N N 42 110.496 111.896 -1.400 1
1 473 . 18 1 1 A 43 43 LYS H H 43 8.398 8.141 0.257 1
1 474 . 18 1 1 A 43 43 LYS HA H 43 4.680 4.630 0.050 1
1 483 . 18 1 1 A 43 43 LYS C C 43 173.943 175.193 -1.250 1
1 484 . 18 1 1 A 43 43 LYS CA C 43 54.361 54.340 0.021 1
1 485 . 18 1 1 A 43 43 LYS CB C 43 33.960 34.520 -0.560 1
1 489 . 18 1 1 A 43 43 LYS N N 43 120.461 120.644 -0.183 1
1 490 . 18 1 1 A 44 44 ASN H H 44 8.892 8.307 0.585 1
1 491 . 18 1 1 A 44 44 ASN HA H 44 4.690 4.696 -0.006 1
1 496 . 18 1 1 A 44 44 ASN C C 44 176.922 175.541 1.381 1
1 497 . 18 1 1 A 44 44 ASN CA C 44 52.256 52.693 -0.437 1
1 498 . 18 1 1 A 44 44 ASN CB C 44 40.451 39.216 1.235 1
1 499 . 18 1 1 A 44 44 ASN N N 44 119.869 120.230 -0.361 1
1 501 . 18 1 1 A 45 45 ILE H H 45 8.543 8.130 0.413 1
1 502 . 18 1 1 A 45 45 ILE HA H 45 3.887 3.628 0.259 1
1 511 . 18 1 1 A 45 45 ILE C C 45 176.137 177.071 -0.934 1
1 512 . 18 1 1 A 45 45 ILE CA C 45 65.116 64.411 0.705 1
1 513 . 18 1 1 A 45 45 ILE CB C 45 36.637 37.681 -1.044 1
1 517 . 18 1 1 A 45 45 ILE N N 45 129.131 127.268 1.863 1
1 518 . 18 1 1 A 46 46 VAL H H 46 9.059 7.366 1.693 1
1 519 . 18 1 1 A 46 46 VAL HA H 46 3.439 3.738 -0.299 1
1 527 . 18 1 1 A 46 46 VAL C C 46 178.407 178.190 0.217 1
1 528 . 18 1 1 A 46 46 VAL CA C 46 65.705 65.518 0.187 1
1 529 . 18 1 1 A 46 46 VAL CB C 46 31.022 31.184 -0.162 1
1 532 . 18 1 1 A 46 46 VAL N N 46 118.981 117.954 1.027 1
1 533 . 18 1 1 A 47 47 GLU H H 47 7.923 8.296 -0.373 1
1 534 . 18 1 1 A 47 47 GLU HA H 47 3.989 3.919 0.070 1
1 539 . 18 1 1 A 47 47 GLU C C 47 177.664 178.505 -0.841 1
1 540 . 18 1 1 A 47 47 GLU CA C 47 57.999 59.041 -1.042 1
1 541 . 18 1 1 A 47 47 GLU CB C 47 28.849 29.008 -0.159 1
1 543 . 18 1 1 A 47 47 GLU N N 47 117.733 121.457 -3.724 1
1 544 . 18 1 1 A 48 48 PHE H H 48 7.689 7.447 0.242 1
1 545 . 18 1 1 A 48 48 PHE HA H 48 4.177 4.241 -0.064 1
1 553 . 18 1 1 A 48 48 PHE C C 48 172.739 175.844 -3.105 1
1 554 . 18 1 1 A 48 48 PHE CA C 48 57.725 59.679 -1.954 1
1 555 . 18 1 1 A 48 48 PHE CB C 48 39.428 39.360 0.068 1
1 561 . 18 1 1 A 48 48 PHE N N 48 117.768 115.633 2.135 1
1 562 . 18 1 1 A 49 49 CYS H H 49 7.413 7.314 0.099 1
1 563 . 18 1 1 A 49 49 CYS HA H 49 5.671 5.062 0.609 1
1 566 . 18 1 1 A 49 49 CYS CA C 49 56.429 59.957 -3.528 1
1 567 . 18 1 1 A 49 49 CYS CB C 49 28.747 28.194 0.553 1
1 568 . 18 1 1 A 49 49 CYS N N 49 119.705 118.376 1.329 1
1 569 . 18 1 1 A 50 50 HIS H H 50 8.640 8.572 0.068 1
1 570 . 18 1 1 A 50 50 HIS HA H 50 3.655 4.056 -0.401 1
1 574 . 18 1 1 A 50 50 HIS CA C 50 56.934 54.797 2.137 1
1 575 . 18 1 1 A 50 50 HIS CB C 50 32.071 30.367 1.704 1
1 577 . 18 1 1 A 50 50 HIS N N 50 134.180 124.282 9.898 1
1 578 . 18 1 1 A 51 51 PRO HA H 51 4.044 4.166 -0.122 1
1 584 . 18 1 1 A 51 51 PRO C C 51 179.121 178.886 0.235 1
1 585 . 18 1 1 A 51 51 PRO CA C 51 65.989 66.079 -0.090 1
1 586 . 18 1 1 A 51 51 PRO CB C 51 32.605 31.683 0.922 1
1 589 . 18 1 1 A 52 52 GLU H H 52 10.986 8.594 2.392 1
1 590 . 18 1 1 A 52 52 GLU HA H 52 4.125 4.102 0.023 1
1 595 . 18 1 1 A 52 52 GLU C C 52 177.643 177.309 0.334 1
1 596 . 18 1 1 A 52 52 GLU CA C 52 58.522 58.977 -0.455 1
1 597 . 18 1 1 A 52 52 GLU CB C 52 29.347 28.775 0.572 1
1 599 . 18 1 1 A 52 52 GLU N N 52 119.351 117.756 1.595 1
1 600 . 18 1 1 A 53 53 ASP H H 53 8.203 8.101 0.102 1
1 601 . 18 1 1 A 53 53 ASP HA H 53 4.898 4.614 0.284 1
1 604 . 18 1 1 A 53 53 ASP C C 53 175.641 177.180 -1.539 1
1 605 . 18 1 1 A 53 53 ASP CA C 53 54.092 54.684 -0.592 1
1 606 . 18 1 1 A 53 53 ASP CB C 53 43.596 41.682 1.914 1
1 607 . 18 1 1 A 53 53 ASP N N 53 117.757 117.415 0.342 1
1 608 . 18 1 1 A 54 54 GLN H H 54 6.922 8.021 -1.099 1
1 609 . 18 1 1 A 54 54 GLN HA H 54 3.985 3.965 0.020 1
1 616 . 18 1 1 A 54 54 GLN C C 54 177.417 178.626 -1.209 1
1 617 . 18 1 1 A 54 54 GLN CA C 54 60.084 59.018 1.066 1
1 618 . 18 1 1 A 54 54 GLN CB C 54 28.448 28.189 0.259 1
1 620 . 18 1 1 A 54 54 GLN N N 54 118.680 119.343 -0.663 1
1 622 . 18 1 1 A 55 55 GLN H H 55 8.663 7.891 0.772 1
1 623 . 18 1 1 A 55 55 GLN HA H 55 3.778 3.967 -0.189 1
1 630 . 18 1 1 A 55 55 GLN C C 55 177.398 178.002 -0.604 1
1 631 . 18 1 1 A 55 55 GLN CA C 55 58.812 58.695 0.117 1
1 632 . 18 1 1 A 55 55 GLN CB C 55 27.402 28.029 -0.627 1
1 634 . 18 1 1 A 55 55 GLN N N 55 119.173 119.864 -0.691 1
1 636 . 18 1 1 A 56 56 LEU H H 56 7.935 7.797 0.138 1
1 637 . 18 1 1 A 56 56 LEU HA H 56 4.071 4.015 0.056 1
1 647 . 18 1 1 A 56 56 LEU C C 56 180.037 177.965 2.072 1
1 648 . 18 1 1 A 56 56 LEU CA C 56 57.698 57.907 -0.209 1
1 649 . 18 1 1 A 56 56 LEU CB C 56 41.586 41.545 0.041 1
1 653 . 18 1 1 A 56 56 LEU N N 56 119.661 121.037 -1.376 1
1 654 . 18 1 1 A 57 57 LEU H H 57 7.382 7.929 -0.547 1
1 655 . 18 1 1 A 57 57 LEU HA H 57 3.575 3.618 -0.043 1
1 665 . 18 1 1 A 57 57 LEU C C 57 178.470 178.181 0.289 1
1 666 . 18 1 1 A 57 57 LEU CA C 57 57.703 58.107 -0.404 1
1 667 . 18 1 1 A 57 57 LEU CB C 57 42.077 41.419 0.658 1
1 671 . 18 1 1 A 57 57 LEU N N 57 119.857 119.898 -0.041 1
1 672 . 18 1 1 A 58 58 ARG H H 58 8.118 8.599 -0.481 1
1 673 . 18 1 1 A 58 58 ARG HA H 58 3.338 3.866 -0.528 1
1 680 . 18 1 1 A 58 58 ARG C C 58 179.713 178.729 0.984 1
1 681 . 18 1 1 A 58 58 ARG CA C 58 60.120 59.487 0.633 1
1 682 . 18 1 1 A 58 58 ARG CB C 58 30.320 29.901 0.419 1
1 685 . 18 1 1 A 58 58 ARG N N 58 118.198 117.809 0.389 1
1 686 . 18 1 1 A 59 59 ASP H H 59 8.748 8.376 0.372 1
1 687 . 18 1 1 A 59 59 ASP HA H 59 4.336 4.273 0.063 1
1 690 . 18 1 1 A 59 59 ASP C C 59 179.130 177.592 1.538 1
1 691 . 18 1 1 A 59 59 ASP CA C 59 57.197 57.613 -0.416 1
1 692 . 18 1 1 A 59 59 ASP CB C 59 40.212 41.834 -1.622 1
1 693 . 18 1 1 A 59 59 ASP N N 59 119.165 119.854 -0.689 1
1 694 . 18 1 1 A 60 60 SER H H 60 7.552 7.939 -0.387 1
1 695 . 18 1 1 A 60 60 SER HA H 60 4.116 4.017 0.099 1
1 698 . 18 1 1 A 60 60 SER C C 60 175.883 177.707 -1.824 1
1 699 . 18 1 1 A 60 60 SER CA C 60 61.975 61.305 0.670 1
1 700 . 18 1 1 A 60 60 SER CB C 60 63.098 62.531 0.567 1
1 701 . 18 1 1 A 60 60 SER N N 60 117.761 113.968 3.793 1
1 702 . 18 1 1 A 61 61 PHE H H 61 7.063 7.486 -0.423 1
1 703 . 18 1 1 A 61 61 PHE HA H 61 4.614 4.370 0.244 1
1 711 . 18 1 1 A 61 61 PHE C C 61 177.561 178.375 -0.814 1
1 712 . 18 1 1 A 61 61 PHE CA C 61 56.777 61.866 -5.089 1
1 713 . 18 1 1 A 61 61 PHE CB C 61 36.564 38.309 -1.745 1
1 719 . 18 1 1 A 61 61 PHE N N 61 122.009 119.578 2.431 1
1 720 . 18 1 1 A 62 62 GLN H H 62 7.376 8.328 -0.952 1
1 721 . 18 1 1 A 62 62 GLN HA H 62 4.038 4.008 0.030 1
1 726 . 18 1 1 A 62 62 GLN C C 62 179.093 178.976 0.117 1
1 727 . 18 1 1 A 62 62 GLN CA C 62 58.240 59.387 -1.147 1
1 728 . 18 1 1 A 62 62 GLN CB C 62 28.094 28.409 -0.315 1
1 730 . 18 1 1 A 62 62 GLN N N 62 114.929 118.308 -3.379 1
1 731 . 18 1 1 A 63 63 GLN H H 63 7.893 7.830 0.063 1
1 732 . 18 1 1 A 63 63 GLN HA H 63 4.083 4.208 -0.125 1
1 737 . 18 1 1 A 63 63 GLN C C 63 178.244 178.535 -0.291 1
1 738 . 18 1 1 A 63 63 GLN CA C 63 58.408 58.323 0.085 1
1 739 . 18 1 1 A 63 63 GLN CB C 63 28.755 28.577 0.178 1
1 741 . 18 1 1 A 63 63 GLN N N 63 117.434 120.150 -2.716 1
1 742 . 18 1 1 A 64 64 VAL H H 64 8.220 8.179 0.041 1
1 743 . 18 1 1 A 64 64 VAL HA H 64 3.663 4.144 -0.481 1
1 751 . 18 1 1 A 64 64 VAL C C 64 177.137 178.080 -0.943 1
1 752 . 18 1 1 A 64 64 VAL CA C 64 66.107 65.590 0.517 1
1 753 . 18 1 1 A 64 64 VAL CB C 64 31.475 31.537 -0.062 1
1 756 . 18 1 1 A 64 64 VAL N N 64 118.766 117.092 1.674 1
1 757 . 18 1 1 A 65 65 VAL H H 65 6.860 7.546 -0.686 1
1 758 . 18 1 1 A 65 65 VAL HA H 65 3.833 3.912 -0.079 1
1 766 . 18 1 1 A 65 65 VAL C C 65 177.624 178.012 -0.388 1
1 767 . 18 1 1 A 65 65 VAL CA C 65 64.200 64.761 -0.561 1
1 768 . 18 1 1 A 65 65 VAL CB C 65 31.730 31.893 -0.163 1
1 771 . 18 1 1 A 65 65 VAL N N 65 112.590 122.430 -9.840 1
1 772 . 18 1 1 A 66 66 LYS H H 66 7.431 7.866 -0.435 1
1 773 . 18 1 1 A 66 66 LYS HA H 66 4.184 3.986 0.198 1
1 782 . 18 1 1 A 66 66 LYS C C 66 177.374 178.255 -0.881 1
1 783 . 18 1 1 A 66 66 LYS CA C 66 58.190 59.874 -1.684 1
1 784 . 18 1 1 A 66 66 LYS CB C 66 33.232 32.238 0.994 1
1 788 . 18 1 1 A 66 66 LYS N N 66 119.643 121.928 -2.285 1
1 789 . 18 1 1 A 67 67 LEU H H 67 7.859 8.083 -0.224 1
1 790 . 18 1 1 A 67 67 LEU HA H 67 4.552 4.320 0.232 1
1 800 . 18 1 1 A 67 67 LEU C C 67 175.532 176.042 -0.510 1
1 801 . 18 1 1 A 67 67 LEU CA C 67 53.108 55.226 -2.118 1
1 802 . 18 1 1 A 67 67 LEU CB C 67 40.979 41.775 -0.796 1
1 806 . 18 1 1 A 67 67 LEU N N 67 121.288 117.938 3.350 1
1 807 . 18 1 1 A 68 68 LYS H H 68 7.475 8.184 -0.709 1
1 808 . 18 1 1 A 68 68 LYS HA H 68 4.156 4.219 -0.063 1
1 817 . 18 1 1 A 68 68 LYS C C 68 177.987 175.719 2.268 1
1 818 . 18 1 1 A 68 68 LYS CA C 68 58.388 57.261 1.127 1
1 819 . 18 1 1 A 68 68 LYS CB C 68 32.207 31.653 0.554 1
1 823 . 18 1 1 A 68 68 LYS N N 68 119.626 118.737 0.889 1
1 824 . 18 1 1 A 69 69 GLY H H 69 8.696 8.247 0.449 1
1 825 . 18 1 1 A 69 69 GLY HA2 H 69 4.294 4.055 0.239 1
1 826 . 18 1 1 A 69 69 GLY HA3 H 69 3.896 4.058 -0.162 1
1 827 . 18 1 1 A 69 69 GLY CA C 69 45.335 45.214 0.121 1
1 828 . 18 1 1 A 69 69 GLY N N 69 113.681 110.423 3.258 1
1 829 . 18 1 1 A 70 70 GLN H H 70 8.031 7.924 0.107 1
1 830 . 18 1 1 A 70 70 GLN HA H 70 4.508 4.268 0.240 1
1 835 . 18 1 1 A 70 70 GLN C C 70 174.684 175.099 -0.415 1
1 836 . 18 1 1 A 70 70 GLN CA C 70 55.347 56.474 -1.127 1
1 837 . 18 1 1 A 70 70 GLN CB C 70 30.111 29.346 0.765 1
1 839 . 18 1 1 A 70 70 GLN N N 70 119.949 121.821 -1.872 1
1 840 . 18 1 1 A 71 71 VAL H H 71 8.232 8.408 -0.176 1
1 841 . 18 1 1 A 71 71 VAL HA H 71 4.822 4.624 0.198 1
1 849 . 18 1 1 A 71 71 VAL C C 71 176.406 174.899 1.507 1
1 850 . 18 1 1 A 71 71 VAL CA C 71 61.198 62.377 -1.179 1
1 851 . 18 1 1 A 71 71 VAL CB C 71 32.964 32.808 0.156 1
1 854 . 18 1 1 A 71 71 VAL N N 71 121.816 126.762 -4.946 1
1 855 . 18 1 1 A 72 72 LEU H H 72 9.052 9.299 -0.247 1
1 856 . 18 1 1 A 72 72 LEU HA H 72 4.827 5.202 -0.375 1
1 865 . 18 1 1 A 72 72 LEU C C 72 175.411 175.684 -0.273 1
1 866 . 18 1 1 A 72 72 LEU CA C 72 52.895 53.245 -0.350 1
1 867 . 18 1 1 A 72 72 LEU CB C 72 44.755 45.333 -0.578 1
1 870 . 18 1 1 A 72 72 LEU N N 72 130.331 129.758 0.573 1
1 871 . 18 1 1 A 73 73 SER H H 73 8.057 8.997 -0.940 1
1 872 . 18 1 1 A 73 73 SER HA H 73 5.211 5.747 -0.536 1
1 875 . 18 1 1 A 73 73 SER C C 73 174.562 173.028 1.534 1
1 876 . 18 1 1 A 73 73 SER CA C 73 56.591 56.742 -0.151 1
1 877 . 18 1 1 A 73 73 SER CB C 73 66.336 65.008 1.328 1
1 878 . 18 1 1 A 73 73 SER N N 73 113.040 118.711 -5.671 1
1 879 . 18 1 1 A 74 74 VAL H H 74 8.799 8.707 0.092 1
1 880 . 18 1 1 A 74 74 VAL HA H 74 4.705 5.001 -0.296 1
1 888 . 18 1 1 A 74 74 VAL C C 74 174.122 174.008 0.114 1
1 889 . 18 1 1 A 74 74 VAL CA C 74 59.403 59.535 -0.132 1
1 890 . 18 1 1 A 74 74 VAL CB C 74 35.474 35.857 -0.383 1
1 893 . 18 1 1 A 74 74 VAL N N 74 122.721 121.907 0.814 1
1 894 . 18 1 1 A 75 75 MET H H 75 8.195 8.799 -0.604 1
1 895 . 18 1 1 A 75 75 MET HA H 75 5.922 6.061 -0.139 1
1 903 . 18 1 1 A 75 75 MET C C 75 175.531 175.702 -0.171 1
1 904 . 18 1 1 A 75 75 MET CA C 75 54.021 54.007 0.014 1
1 905 . 18 1 1 A 75 75 MET CB C 75 34.750 34.015 0.735 1
1 908 . 18 1 1 A 75 75 MET N N 75 120.057 123.708 -3.651 1
1 909 . 18 1 1 A 76 76 PHE H H 76 9.394 9.126 0.268 1
1 910 . 18 1 1 A 76 76 PHE HA H 76 5.004 5.112 -0.108 1
1 918 . 18 1 1 A 76 76 PHE C C 76 171.623 172.417 -0.794 1
1 919 . 18 1 1 A 76 76 PHE CA C 76 55.802 55.431 0.371 1
1 920 . 18 1 1 A 76 76 PHE CB C 76 42.072 42.081 -0.009 1
1 926 . 18 1 1 A 76 76 PHE N N 76 120.244 120.176 0.068 1
1 927 . 18 1 1 A 77 77 ARG H H 77 8.783 8.227 0.556 1
1 928 . 18 1 1 A 77 77 ARG HA H 77 4.420 4.207 0.213 1
1 936 . 18 1 1 A 77 77 ARG C C 77 173.455 174.587 -1.132 1
1 937 . 18 1 1 A 77 77 ARG CA C 77 54.218 55.068 -0.850 1
1 938 . 18 1 1 A 77 77 ARG CB C 77 32.439 30.260 2.179 1
1 941 . 18 1 1 A 77 77 ARG N N 77 121.379 118.993 2.386 1
1 943 . 18 1 1 A 78 78 PHE H H 78 9.258 9.209 0.049 1
1 944 . 18 1 1 A 78 78 PHE HA H 78 5.438 5.136 0.302 1
1 952 . 18 1 1 A 78 78 PHE C C 78 175.873 174.462 1.411 1
1 953 . 18 1 1 A 78 78 PHE CA C 78 55.173 56.816 -1.643 1
1 954 . 18 1 1 A 78 78 PHE CB C 78 44.530 39.772 4.758 1
1 960 . 18 1 1 A 78 78 PHE N N 78 128.097 126.413 1.684 1
1 961 . 18 1 1 A 79 79 ARG H H 79 9.242 8.865 0.377 1
1 962 . 18 1 1 A 79 79 ARG HA H 79 4.201 4.628 -0.427 1
1 969 . 18 1 1 A 79 79 ARG C C 79 175.316 175.890 -0.574 1
1 970 . 18 1 1 A 79 79 ARG CA C 79 55.255 56.760 -1.505 1
1 971 . 18 1 1 A 79 79 ARG CB C 79 29.358 30.559 -1.201 1
1 974 . 18 1 1 A 79 79 ARG N N 79 129.898 130.489 -0.591 1
1 975 . 18 1 1 A 80 80 SER H H 80 9.253 8.768 0.485 1
1 976 . 18 1 1 A 80 80 SER HA H 80 4.772 5.276 -0.504 1
1 979 . 18 1 1 A 80 80 SER C C 80 174.983 175.297 -0.314 1
1 980 . 18 1 1 A 80 80 SER CA C 80 58.191 57.187 1.004 1
1 981 . 18 1 1 A 80 80 SER CB C 80 64.930 65.569 -0.639 1
1 982 . 18 1 1 A 80 80 SER N N 80 128.002 120.752 7.250 1
1 983 . 18 1 1 A 81 81 LYS H H 81 8.065 8.741 -0.676 1
1 984 . 18 1 1 A 81 81 LYS HA H 81 3.675 3.568 0.107 1
1 993 . 18 1 1 A 81 81 LYS C C 81 177.417 177.436 -0.019 1
1 994 . 18 1 1 A 81 81 LYS CA C 81 59.236 58.483 0.753 1
1 995 . 18 1 1 A 81 81 LYS CB C 81 31.641 31.995 -0.354 1
1 999 . 18 1 1 A 81 81 LYS N N 81 123.505 121.365 2.140 1
1 1000 . 18 1 1 A 82 82 ASN H H 82 7.934 7.702 0.232 1
1 1001 . 18 1 1 A 82 82 ASN HA H 82 4.679 4.781 -0.102 1
1 1006 . 18 1 1 A 82 82 ASN C C 82 173.949 174.118 -0.169 1
1 1007 . 18 1 1 A 82 82 ASN CA C 82 52.764 52.745 0.019 1
1 1008 . 18 1 1 A 82 82 ASN CB C 82 37.428 38.453 -1.025 1
1 1009 . 18 1 1 A 82 82 ASN N N 82 115.202 114.407 0.795 1
1 1011 . 18 1 1 A 83 83 GLN H H 83 8.099 7.947 0.152 1
1 1012 . 18 1 1 A 83 83 GLN HA H 83 3.382 3.752 -0.370 1
1 1019 . 18 1 1 A 83 83 GLN C C 83 174.208 174.096 0.112 1
1 1020 . 18 1 1 A 83 83 GLN CA C 83 56.400 56.849 -0.449 1
1 1021 . 18 1 1 A 83 83 GLN CB C 83 25.003 26.010 -1.007 1
1 1023 . 18 1 1 A 83 83 GLN N N 83 112.357 115.810 -3.453 1
1 1025 . 18 1 1 A 84 84 GLU H H 84 7.385 7.659 -0.274 1
1 1026 . 18 1 1 A 84 84 GLU HA H 84 4.322 4.705 -0.383 1
1 1031 . 18 1 1 A 84 84 GLU CA C 84 54.720 54.780 -0.060 1
1 1032 . 18 1 1 A 84 84 GLU CB C 84 31.713 32.201 -0.488 1
1 1034 . 18 1 1 A 84 84 GLU N N 84 117.557 116.777 0.780 1
1 1035 . 18 1 1 A 85 85 TRP H H 85 8.645 8.742 -0.097 1
1 1036 . 18 1 1 A 85 85 TRP HA H 85 5.145 4.802 0.343 1
1 1045 . 18 1 1 A 85 85 TRP C C 85 175.772 175.724 0.048 1
1 1046 . 18 1 1 A 85 85 TRP CA C 85 55.591 56.741 -1.150 1
1 1047 . 18 1 1 A 85 85 TRP CB C 85 30.113 27.865 2.248 1
1 1053 . 18 1 1 A 85 85 TRP N N 85 121.388 123.669 -2.281 1
1 1055 . 18 1 1 A 86 86 LEU H H 86 9.348 8.529 0.819 1
1 1056 . 18 1 1 A 86 86 LEU HA H 86 4.847 4.683 0.164 1
1 1066 . 18 1 1 A 86 86 LEU C C 86 176.991 176.389 0.602 1
1 1067 . 18 1 1 A 86 86 LEU CA C 86 53.102 54.793 -1.691 1
1 1068 . 18 1 1 A 86 86 LEU CB C 86 44.527 41.434 3.093 1
1 1071 . 18 1 1 A 86 86 LEU N N 86 126.537 125.543 0.994 1
1 1072 . 18 1 1 A 87 87 TRP H H 87 8.870 8.927 -0.057 1
1 1073 . 18 1 1 A 87 87 TRP HA H 87 4.465 4.980 -0.515 1
1 1082 . 18 1 1 A 87 87 TRP C C 87 175.731 176.944 -1.213 1
1 1083 . 18 1 1 A 87 87 TRP CA C 87 59.207 58.470 0.737 1
1 1084 . 18 1 1 A 87 87 TRP CB C 87 29.736 30.324 -0.588 1
1 1090 . 18 1 1 A 87 87 TRP N N 87 123.902 126.812 -2.910 1
1 1092 . 18 1 1 A 88 88 MET H H 88 9.432 9.123 0.309 1
1 1093 . 18 1 1 A 88 88 MET HA H 88 5.267 5.629 -0.362 1
1 1101 . 18 1 1 A 88 88 MET C C 88 174.713 174.203 0.510 1
1 1102 . 18 1 1 A 88 88 MET CA C 88 52.557 54.239 -1.682 1
1 1103 . 18 1 1 A 88 88 MET CB C 88 36.139 37.398 -1.259 1
1 1106 . 18 1 1 A 88 88 MET N N 88 123.412 121.396 2.016 1
1 1107 . 18 1 1 A 89 89 ARG H H 89 9.282 8.957 0.325 1
1 1108 . 18 1 1 A 89 89 ARG HA H 89 5.702 5.188 0.514 1
1 1115 . 18 1 1 A 89 89 ARG C C 89 177.137 175.710 1.427 1
1 1116 . 18 1 1 A 89 89 ARG CA C 89 54.266 54.802 -0.536 1
1 1117 . 18 1 1 A 89 89 ARG CB C 89 34.404 32.252 2.152 1
1 1120 . 18 1 1 A 89 89 ARG N N 89 119.570 121.373 -1.803 1
1 1121 . 18 1 1 A 90 90 THR H H 90 9.298 9.154 0.144 1
1 1122 . 18 1 1 A 90 90 THR HA H 90 5.625 5.322 0.303 1
1 1127 . 18 1 1 A 90 90 THR C C 90 176.787 174.283 2.504 1
1 1128 . 18 1 1 A 90 90 THR CA C 90 60.327 60.420 -0.093 1
1 1129 . 18 1 1 A 90 90 THR CB C 90 72.187 70.485 1.702 1
1 1131 . 18 1 1 A 90 90 THR N N 90 115.133 117.685 -2.552 1
1 1132 . 18 1 1 A 91 91 SER H H 91 8.194 8.775 -0.581 1
1 1133 . 18 1 1 A 91 91 SER HA H 91 4.860 5.136 -0.276 1
1 1136 . 18 1 1 A 91 91 SER C C 91 175.171 173.227 1.944 1
1 1137 . 18 1 1 A 91 91 SER CA C 91 59.224 57.109 2.115 1
1 1138 . 18 1 1 A 91 91 SER CB C 91 64.094 63.159 0.935 1
1 1139 . 18 1 1 A 91 91 SER N N 91 114.043 121.252 -7.209 1
1 1140 . 18 1 1 A 92 92 SER H H 92 9.864 8.083 1.781 1
1 1141 . 18 1 1 A 92 92 SER HA H 92 6.204 5.035 1.169 1
1 1144 . 18 1 1 A 92 92 SER C C 92 171.748 174.032 -2.284 1
1 1145 . 18 1 1 A 92 92 SER CA C 92 58.818 59.427 -0.609 1
1 1146 . 18 1 1 A 92 92 SER CB C 92 66.419 64.094 2.325 1
1 1147 . 18 1 1 A 92 92 SER N N 92 125.442 121.690 3.752 1
1 1148 . 18 1 1 A 93 93 GLN H H 93 8.873 8.655 0.218 1
1 1149 . 18 1 1 A 93 93 GLN HA H 93 5.048 5.017 0.031 1
1 1156 . 18 1 1 A 93 93 GLN C C 93 174.145 174.518 -0.373 1
1 1157 . 18 1 1 A 93 93 GLN CA C 93 54.262 54.501 -0.239 1
1 1158 . 18 1 1 A 93 93 GLN CB C 93 33.131 32.455 0.676 1
1 1160 . 18 1 1 A 93 93 GLN N N 93 117.328 122.212 -4.884 1
1 1162 . 18 1 1 A 94 94 THR H H 94 8.846 8.584 0.262 1
1 1163 . 18 1 1 A 94 94 THR HA H 94 3.979 4.595 -0.616 1
1 1168 . 18 1 1 A 94 94 THR C C 94 174.677 174.598 0.079 1
1 1169 . 18 1 1 A 94 94 THR CA C 94 64.467 62.617 1.850 1
1 1170 . 18 1 1 A 94 94 THR CB C 94 68.894 69.085 -0.191 1
1 1172 . 18 1 1 A 94 94 THR N N 94 116.526 113.170 3.356 1
1 1173 . 18 1 1 A 95 95 ALA H H 95 8.188 8.604 -0.416 1
1 1174 . 18 1 1 A 95 95 ALA HA H 95 4.161 4.348 -0.187 1
1 1178 . 18 1 1 A 95 95 ALA C C 95 176.285 177.910 -1.625 1
1 1179 . 18 1 1 A 95 95 ALA CA C 95 51.847 52.305 -0.458 1
1 1180 . 18 1 1 A 95 95 ALA CB C 95 18.999 20.344 -1.345 1
1 1181 . 18 1 1 A 95 95 ALA N N 95 126.311 128.332 -2.021 1
1 1182 . 18 1 1 A 96 96 GLN H H 96 8.324 8.644 -0.320 1
1 1183 . 18 1 1 A 96 96 GLN HA H 96 4.175 4.214 -0.039 1
1 1190 . 18 1 1 A 96 96 GLN C C 96 176.230 176.058 0.172 1
1 1191 . 18 1 1 A 96 96 GLN CA C 96 54.621 57.851 -3.230 1
1 1192 . 18 1 1 A 96 96 GLN CB C 96 30.003 28.790 1.213 1
1 1194 . 18 1 1 A 96 96 GLN N N 96 116.920 119.203 -2.283 1
1 1196 . 18 1 1 A 97 97 ASN H H 97 8.512 7.808 0.704 1
1 1197 . 18 1 1 A 97 97 ASN HA H 97 4.436 4.774 -0.338 1
1 1200 . 18 1 1 A 97 97 ASN CA C 97 52.928 51.024 1.904 1
1 1201 . 18 1 1 A 97 97 ASN CB C 97 37.851 40.955 -3.104 1
1 1202 . 18 1 1 A 97 97 ASN N N 97 119.656 111.920 7.736 1
1 1203 . 18 1 1 A 98 98 PRO HA H 98 4.566 4.336 0.230 1
1 1210 . 18 1 1 A 98 98 PRO C C 98 175.164 175.908 -0.744 1
1 1211 . 18 1 1 A 98 98 PRO CA C 98 63.824 63.584 0.240 1
1 1212 . 18 1 1 A 98 98 PRO CB C 98 32.473 32.352 0.121 1
1 1215 . 18 1 1 A 99 99 TYR H H 99 8.780 7.289 1.491 1
1 1216 . 18 1 1 A 99 99 TYR HA H 99 4.996 4.684 0.312 1
1 1223 . 18 1 1 A 99 99 TYR C C 99 176.421 176.247 0.174 1
1 1224 . 18 1 1 A 99 99 TYR CA C 99 55.837 57.779 -1.942 1
1 1225 . 18 1 1 A 99 99 TYR CB C 99 37.199 37.745 -0.546 1
1 1230 . 18 1 1 A 99 99 TYR N N 99 127.975 119.582 8.393 1
1 1231 . 18 1 1 A 100 100 SER H H 100 7.655 8.041 -0.386 1
1 1232 . 18 1 1 A 100 100 SER HA H 100 4.274 4.445 -0.171 1
1 1235 . 18 1 1 A 100 100 SER C C 100 174.144 176.820 -2.676 1
1 1236 . 18 1 1 A 100 100 SER CA C 100 60.567 61.322 -0.755 1
1 1237 . 18 1 1 A 100 100 SER CB C 100 63.266 62.962 0.304 1
1 1238 . 18 1 1 A 100 100 SER N N 100 113.164 117.419 -4.255 1
1 1239 . 18 1 1 A 101 101 ASP H H 101 8.736 8.165 0.571 1
1 1240 . 18 1 1 A 101 101 ASP HA H 101 4.688 4.484 0.204 1
1 1243 . 18 1 1 A 101 101 ASP C C 101 175.535 176.527 -0.992 1
1 1244 . 18 1 1 A 101 101 ASP CA C 101 54.103 55.999 -1.896 1
1 1245 . 18 1 1 A 101 101 ASP CB C 101 40.098 40.918 -0.820 1
1 1246 . 18 1 1 A 101 101 ASP N N 101 118.476 120.800 -2.324 1
1 1247 . 18 1 1 A 102 102 GLU H H 102 8.127 8.405 -0.278 1
1 1248 . 18 1 1 A 102 102 GLU HA H 102 4.448 4.703 -0.255 1
1 1253 . 18 1 1 A 102 102 GLU CA C 102 54.963 55.469 -0.506 1
1 1254 . 18 1 1 A 102 102 GLU CB C 102 31.769 31.478 0.291 1
1 1256 . 18 1 1 A 102 102 GLU N N 102 119.744 118.224 1.520 1
1 1257 . 18 1 1 A 103 103 ILE H H 103 8.645 8.597 0.048 1
1 1258 . 18 1 1 A 103 103 ILE HA H 103 4.001 4.672 -0.671 1
1 1268 . 18 1 1 A 103 103 ILE C C 103 174.065 174.518 -0.453 1
1 1269 . 18 1 1 A 103 103 ILE CA C 103 60.418 60.843 -0.425 1
1 1270 . 18 1 1 A 103 103 ILE CB C 103 40.781 40.521 0.260 1
1 1274 . 18 1 1 A 103 103 ILE N N 103 121.388 120.768 0.620 1
1 1275 . 18 1 1 A 104 104 GLU H H 104 8.957 9.089 -0.132 1
1 1276 . 18 1 1 A 104 104 GLU HA H 104 5.099 4.557 0.542 1
1 1281 . 18 1 1 A 104 104 GLU C C 104 175.093 175.253 -0.160 1
1 1282 . 18 1 1 A 104 104 GLU CA C 104 54.898 56.190 -1.292 1
1 1283 . 18 1 1 A 104 104 GLU CB C 104 32.330 30.025 2.305 1
1 1285 . 18 1 1 A 104 104 GLU N N 104 125.935 128.529 -2.594 1
1 1286 . 18 1 1 A 105 105 THR H H 105 8.774 8.871 -0.097 1
1 1287 . 18 1 1 A 105 105 THR HA H 105 5.226 5.090 0.136 1
1 1292 . 18 1 1 A 105 105 THR C C 105 174.876 173.751 1.125 1
1 1293 . 18 1 1 A 105 105 THR CA C 105 61.469 62.224 -0.755 1
1 1294 . 18 1 1 A 105 105 THR CB C 105 70.382 69.862 0.520 1
1 1296 . 18 1 1 A 105 105 THR N N 105 127.200 121.319 5.881 1
1 1297 . 18 1 1 A 106 106 ILE H H 106 9.186 8.911 0.275 1
1 1298 . 18 1 1 A 106 106 ILE HA H 106 4.486 4.573 -0.087 1
1 1308 . 18 1 1 A 106 106 ILE C C 106 175.412 175.286 0.126 1
1 1309 . 18 1 1 A 106 106 ILE CA C 106 61.423 60.547 0.876 1
1 1310 . 18 1 1 A 106 106 ILE CB C 106 38.432 37.411 1.021 1
1 1313 . 18 1 1 A 106 106 ILE N N 106 107.991 128.241 -20.250 1
1 1314 . 18 1 1 A 107 107 ILE H H 107 8.431 8.338 0.093 1
1 1315 . 18 1 1 A 107 107 ILE HA H 107 4.239 4.435 -0.196 1
1 1325 . 18 1 1 A 107 107 ILE C C 107 173.805 174.630 -0.825 1
1 1326 . 18 1 1 A 107 107 ILE CA C 107 61.459 60.631 0.828 1
1 1327 . 18 1 1 A 107 107 ILE CB C 107 37.499 36.962 0.537 1
1 1331 . 18 1 1 A 107 107 ILE N N 107 129.202 128.441 0.761 1
1 1332 . 18 1 1 A 108 108 CYS H H 108 8.581 9.179 -0.598 1
1 1333 . 18 1 1 A 108 108 CYS HA H 108 5.298 5.262 0.036 1
1 1336 . 18 1 1 A 108 108 CYS C C 108 174.235 173.976 0.259 1
1 1337 . 18 1 1 A 108 108 CYS CA C 108 55.861 56.930 -1.069 1
1 1338 . 18 1 1 A 108 108 CYS CB C 108 31.110 30.964 0.146 1
1 1339 . 18 1 1 A 108 108 CYS N N 108 124.561 128.119 -3.558 1
1 1340 . 18 1 1 A 109 109 THR H H 109 8.701 8.844 -0.143 1
1 1341 . 18 1 1 A 109 109 THR HA H 109 4.733 4.468 0.265 1
1 1346 . 18 1 1 A 109 109 THR C C 109 174.927 174.541 0.386 1
1 1347 . 18 1 1 A 109 109 THR CA C 109 63.466 62.423 1.043 1
1 1348 . 18 1 1 A 109 109 THR CB C 109 69.636 69.658 -0.022 1
1 1350 . 18 1 1 A 109 109 THR N N 109 119.017 117.587 1.430 1
1 1351 . 18 1 1 A 110 110 ASN H H 110 8.527 9.071 -0.544 1
1 1352 . 18 1 1 A 110 110 ASN HA H 110 4.891 4.886 0.005 1
1 1357 . 18 1 1 A 110 110 ASN C C 110 174.829 175.061 -0.232 1
1 1358 . 18 1 1 A 110 110 ASN CA C 110 53.104 54.468 -1.364 1
1 1359 . 18 1 1 A 110 110 ASN CB C 110 39.813 40.576 -0.763 1
1 1360 . 18 1 1 A 110 110 ASN N N 110 122.861 122.011 0.850 1
1 1362 . 18 1 1 A 111 111 THR H H 111 8.159 7.594 0.565 1
1 1363 . 18 1 1 A 111 111 THR HA H 111 4.407 4.282 0.125 1
1 1368 . 18 1 1 A 111 111 THR C C 111 174.189 174.216 -0.027 1
1 1369 . 18 1 1 A 111 111 THR CA C 111 61.900 62.529 -0.629 1
1 1370 . 18 1 1 A 111 111 THR CB C 111 69.400 69.478 -0.078 1
1 1372 . 18 1 1 A 111 111 THR N N 111 114.879 110.049 4.830 1
1 1373 . 18 1 1 A 112 112 ASN H H 112 8.359 8.915 -0.556 1
1 1374 . 18 1 1 A 112 112 ASN N N 112 121.000 121.386 -0.386 1
1 1375 . 18 1 1 A 117 117 SER C C 117 174.242 173.454 0.788 1
1 1376 . 18 1 1 A 117 117 SER CA C 117 58.557 57.934 0.623 1
1 1377 . 18 1 1 A 117 117 SER CB C 117 63.729 61.933 1.796 1
1 1378 . 18 1 1 A 118 118 GLN H H 118 8.304 7.459 0.845 1
1 1379 . 18 1 1 A 118 118 GLN C C 118 174.889 175.562 -0.673 1
1 1380 . 18 1 1 A 118 118 GLN CA C 118 55.764 54.839 0.925 1
1 1381 . 18 1 1 A 118 118 GLN CB C 118 29.659 30.372 -0.713 1
1 1382 . 18 1 1 A 118 118 GLN N N 118 122.171 121.826 0.345 1
1 1 . 19 1 1 A 2 2 ALA HA H 2 4.298 4.490 -0.192 1
1 5 . 19 1 1 A 2 2 ALA CA C 2 53.448 51.991 1.457 1
1 6 . 19 1 1 A 2 2 ALA CB C 2 19.236 19.790 -0.554 1
1 7 . 19 1 1 A 3 3 MET H H 3 8.518 8.420 0.098 1
1 12 . 19 1 1 A 3 3 MET N N 3 117.762 120.179 -2.417 1
1 13 . 19 1 1 A 4 4 ASP CA C 4 54.632 54.999 -0.367 1
1 14 . 19 1 1 A 4 4 ASP CB C 4 41.102 41.528 -0.426 1
1 15 . 19 1 1 A 5 5 ASN H H 5 8.332 8.107 0.225 1
1 18 . 19 1 1 A 5 5 ASN CA C 5 53.361 55.604 -2.243 1
1 19 . 19 1 1 A 5 5 ASN CB C 5 38.775 37.193 1.582 1
1 20 . 19 1 1 A 5 5 ASN N N 5 118.200 116.069 2.131 1
1 22 . 19 1 1 A 6 6 VAL H H 6 7.939 7.883 0.056 1
1 23 . 19 1 1 A 6 6 VAL HA H 6 4.142 4.714 -0.572 1
1 31 . 19 1 1 A 6 6 VAL CA C 6 62.634 59.575 3.059 1
1 32 . 19 1 1 A 6 6 VAL CB C 6 32.598 35.633 -3.035 1
1 35 . 19 1 1 A 6 6 VAL N N 6 120.396 116.700 3.696 1
1 36 . 19 1 1 A 7 7 CYS H H 7 8.304 8.585 -0.281 1
1 37 . 19 1 1 A 7 7 CYS CA C 7 56.095 59.098 -3.003 1
1 38 . 19 1 1 A 7 7 CYS CB C 7 32.967 26.911 6.056 1
1 39 . 19 1 1 A 7 7 CYS N N 7 124.774 125.979 -1.205 1
1 40 . 19 1 1 A 9 9 PRO HA H 9 4.547 4.719 -0.172 1
1 46 . 19 1 1 A 9 9 PRO C C 9 176.493 175.703 0.790 1
1 47 . 19 1 1 A 9 9 PRO CA C 9 63.142 62.449 0.693 1
1 48 . 19 1 1 A 9 9 PRO CB C 9 32.554 32.874 -0.320 1
1 51 . 19 1 1 A 10 10 THR H H 10 8.368 8.792 -0.424 1
1 52 . 19 1 1 A 10 10 THR HA H 10 4.418 4.628 -0.210 1
1 57 . 19 1 1 A 10 10 THR C C 10 172.743 173.622 -0.879 1
1 58 . 19 1 1 A 10 10 THR CA C 10 61.197 62.920 -1.723 1
1 59 . 19 1 1 A 10 10 THR CB C 10 69.660 71.382 -1.722 1
1 61 . 19 1 1 A 10 10 THR N N 10 112.513 113.764 -1.251 1
1 62 . 19 1 1 A 11 11 GLU H H 11 7.813 7.920 -0.107 1
1 63 . 19 1 1 A 11 11 GLU HA H 11 5.549 5.082 0.467 1
1 68 . 19 1 1 A 11 11 GLU C C 11 173.062 174.169 -1.107 1
1 69 . 19 1 1 A 11 11 GLU CA C 11 53.855 55.492 -1.637 1
1 70 . 19 1 1 A 11 11 GLU CB C 11 33.820 32.809 1.011 1
1 72 . 19 1 1 A 11 11 GLU N N 11 119.491 116.374 3.117 1
1 73 . 19 1 1 A 12 12 PHE H H 12 8.198 8.806 -0.608 1
1 74 . 19 1 1 A 12 12 PHE HA H 12 5.014 5.898 -0.884 1
1 82 . 19 1 1 A 12 12 PHE C C 12 171.976 173.468 -1.492 1
1 83 . 19 1 1 A 12 12 PHE CA C 12 55.597 55.305 0.292 1
1 84 . 19 1 1 A 12 12 PHE CB C 12 42.384 42.107 0.277 1
1 90 . 19 1 1 A 12 12 PHE N N 12 111.146 117.384 -6.238 1
1 91 . 19 1 1 A 13 13 ILE H H 13 8.655 8.600 0.055 1
1 92 . 19 1 1 A 13 13 ILE HA H 13 4.165 4.410 -0.245 1
1 102 . 19 1 1 A 13 13 ILE C C 13 173.432 175.057 -1.625 1
1 103 . 19 1 1 A 13 13 ILE CA C 13 62.270 62.023 0.247 1
1 104 . 19 1 1 A 13 13 ILE CB C 13 39.957 36.946 3.011 1
1 108 . 19 1 1 A 13 13 ILE N N 13 121.427 124.622 -3.195 1
1 109 . 19 1 1 A 14 14 SER H H 14 8.034 8.996 -0.962 1
1 110 . 19 1 1 A 14 14 SER HA H 14 5.588 5.143 0.445 1
1 113 . 19 1 1 A 14 14 SER C C 14 173.429 173.620 -0.191 1
1 114 . 19 1 1 A 14 14 SER CA C 14 56.650 56.495 0.155 1
1 115 . 19 1 1 A 14 14 SER CB C 14 70.177 64.921 5.256 1
1 116 . 19 1 1 A 14 14 SER N N 14 121.358 123.557 -2.199 1
1 117 . 19 1 1 A 15 15 ARG H H 15 9.545 8.853 0.692 1
1 118 . 19 1 1 A 15 15 ARG HA H 15 5.826 4.784 1.042 1
1 126 . 19 1 1 A 15 15 ARG C C 15 176.042 175.652 0.390 1
1 127 . 19 1 1 A 15 15 ARG CA C 15 55.105 55.494 -0.389 1
1 128 . 19 1 1 A 15 15 ARG CB C 15 35.587 32.460 3.127 1
1 131 . 19 1 1 A 15 15 ARG N N 15 118.317 127.037 -8.720 1
1 133 . 19 1 1 A 16 16 HIS H H 16 8.730 8.216 0.514 1
1 134 . 19 1 1 A 16 16 HIS HA H 16 5.555 5.489 0.066 1
1 141 . 19 1 1 A 16 16 HIS C C 16 174.062 172.972 1.090 1
1 142 . 19 1 1 A 16 16 HIS CA C 16 54.057 54.483 -0.426 1
1 143 . 19 1 1 A 16 16 HIS CB C 16 31.334 31.279 0.055 1
1 146 . 19 1 1 A 16 16 HIS N N 16 117.425 116.801 0.624 1
1 148 . 19 1 1 A 17 17 ASN H H 17 8.201 8.632 -0.431 1
1 149 . 19 1 1 A 17 17 ASN HA H 17 4.897 5.168 -0.271 1
1 154 . 19 1 1 A 17 17 ASN C C 17 178.263 175.709 2.554 1
1 155 . 19 1 1 A 17 17 ASN CA C 17 51.104 51.613 -0.509 1
1 156 . 19 1 1 A 17 17 ASN CB C 17 38.469 39.090 -0.621 1
1 157 . 19 1 1 A 17 17 ASN N N 17 116.276 117.521 -1.245 1
1 159 . 19 1 1 A 18 18 ILE H H 18 8.774 8.808 -0.034 1
1 160 . 19 1 1 A 18 18 ILE HA H 18 3.795 3.918 -0.123 1
1 170 . 19 1 1 A 18 18 ILE C C 18 174.851 177.789 -2.938 1
1 171 . 19 1 1 A 18 18 ILE CA C 18 64.399 64.077 0.322 1
1 172 . 19 1 1 A 18 18 ILE CB C 18 38.072 37.905 0.167 1
1 176 . 19 1 1 A 18 18 ILE N N 18 120.001 120.295 -0.294 1
1 177 . 19 1 1 A 19 19 GLU H H 19 7.213 7.832 -0.619 1
1 178 . 19 1 1 A 19 19 GLU HA H 19 4.225 4.118 0.107 1
1 183 . 19 1 1 A 19 19 GLU CA C 19 57.145 56.824 0.321 1
1 184 . 19 1 1 A 19 19 GLU CB C 19 29.878 29.832 0.046 1
1 186 . 19 1 1 A 19 19 GLU N N 19 116.538 119.991 -3.453 1
1 187 . 19 1 1 A 20 20 GLY H H 20 7.845 7.825 0.020 1
1 188 . 19 1 1 A 20 20 GLY HA2 H 20 4.878 2.773 2.105 1
1 189 . 19 1 1 A 20 20 GLY HA3 H 20 2.886 3.654 -0.768 1
1 190 . 19 1 1 A 20 20 GLY C C 20 172.992 174.080 -1.088 1
1 191 . 19 1 1 A 20 20 GLY CA C 20 44.049 44.315 -0.266 1
1 192 . 19 1 1 A 20 20 GLY N N 20 104.883 106.153 -1.270 1
1 193 . 19 1 1 A 21 21 ILE H H 21 7.841 7.536 0.305 1
1 194 . 19 1 1 A 21 21 ILE HA H 21 3.995 3.861 0.134 1
1 204 . 19 1 1 A 21 21 ILE C C 21 176.915 175.478 1.437 1
1 205 . 19 1 1 A 21 21 ILE CA C 21 60.302 61.669 -1.367 1
1 206 . 19 1 1 A 21 21 ILE CB C 21 36.111 38.059 -1.948 1
1 210 . 19 1 1 A 21 21 ILE N N 21 120.855 122.693 -1.838 1
1 211 . 19 1 1 A 22 22 PHE H H 22 8.896 8.571 0.325 1
1 212 . 19 1 1 A 22 22 PHE HA H 22 5.052 5.013 0.039 1
1 220 . 19 1 1 A 22 22 PHE C C 22 177.971 176.247 1.724 1
1 221 . 19 1 1 A 22 22 PHE CA C 22 59.625 59.042 0.583 1
1 222 . 19 1 1 A 22 22 PHE CB C 22 39.984 39.135 0.849 1
1 228 . 19 1 1 A 22 22 PHE N N 22 125.849 128.458 -2.609 1
1 229 . 19 1 1 A 23 23 THR H H 23 9.771 8.937 0.834 1
1 230 . 19 1 1 A 23 23 THR HA H 23 4.403 4.513 -0.110 1
1 235 . 19 1 1 A 23 23 THR C C 23 175.589 174.576 1.013 1
1 236 . 19 1 1 A 23 23 THR CA C 23 61.611 62.269 -0.658 1
1 237 . 19 1 1 A 23 23 THR CB C 23 69.193 69.257 -0.064 1
1 239 . 19 1 1 A 23 23 THR N N 23 117.677 115.212 2.465 1
1 240 . 19 1 1 A 24 24 PHE H H 24 7.948 7.411 0.537 1
1 241 . 19 1 1 A 24 24 PHE HA H 24 4.483 4.780 -0.297 1
1 249 . 19 1 1 A 24 24 PHE C C 24 173.376 173.305 0.071 1
1 250 . 19 1 1 A 24 24 PHE CA C 24 59.142 58.273 0.869 1
1 251 . 19 1 1 A 24 24 PHE CB C 24 42.161 42.351 -0.190 1
1 257 . 19 1 1 A 24 24 PHE N N 24 123.378 121.226 2.152 1
1 258 . 19 1 1 A 25 25 VAL H H 25 7.340 7.376 -0.036 1
1 259 . 19 1 1 A 25 25 VAL HA H 25 4.166 4.326 -0.160 1
1 267 . 19 1 1 A 25 25 VAL C C 25 173.103 173.602 -0.499 1
1 268 . 19 1 1 A 25 25 VAL CA C 25 61.539 60.421 1.118 1
1 269 . 19 1 1 A 25 25 VAL CB C 25 35.683 34.999 0.684 1
1 272 . 19 1 1 A 25 25 VAL N N 25 124.777 123.608 1.169 1
1 273 . 19 1 1 A 26 26 ASP H H 26 7.942 8.446 -0.504 1
1 274 . 19 1 1 A 26 26 ASP HA H 26 4.466 4.526 -0.060 1
1 277 . 19 1 1 A 26 26 ASP C C 26 175.258 177.270 -2.012 1
1 278 . 19 1 1 A 26 26 ASP CA C 26 53.318 54.446 -1.128 1
1 279 . 19 1 1 A 26 26 ASP CB C 26 42.461 42.279 0.182 1
1 280 . 19 1 1 A 26 26 ASP N N 26 125.573 126.535 -0.962 1
1 281 . 19 1 1 A 27 27 HIS H H 27 8.115 8.909 -0.794 1
1 282 . 19 1 1 A 27 27 HIS HA H 27 4.222 4.105 0.117 1
1 286 . 19 1 1 A 27 27 HIS C C 27 177.268 176.489 0.779 1
1 287 . 19 1 1 A 27 27 HIS CA C 27 59.164 58.722 0.442 1
1 288 . 19 1 1 A 27 27 HIS CB C 27 30.374 29.233 1.141 1
1 290 . 19 1 1 A 27 27 HIS N N 27 117.576 123.625 -6.049 1
1 291 . 19 1 1 A 28 28 ARG H H 28 8.724 8.038 0.686 1
1 292 . 19 1 1 A 28 28 ARG HA H 28 4.210 3.678 0.532 1
1 300 . 19 1 1 A 28 28 ARG C C 28 177.838 179.037 -1.199 1
1 301 . 19 1 1 A 28 28 ARG CA C 28 58.199 59.304 -1.105 1
1 302 . 19 1 1 A 28 28 ARG CB C 28 29.815 29.521 0.294 1
1 305 . 19 1 1 A 28 28 ARG N N 28 122.414 120.549 1.865 1
1 307 . 19 1 1 A 29 29 CYS H H 29 8.102 8.196 -0.094 1
1 308 . 19 1 1 A 29 29 CYS HA H 29 3.124 3.179 -0.055 1
1 311 . 19 1 1 A 29 29 CYS C C 29 175.551 177.045 -1.494 1
1 312 . 19 1 1 A 29 29 CYS CA C 29 59.988 60.863 -0.875 1
1 313 . 19 1 1 A 29 29 CYS CB C 29 25.101 26.200 -1.099 1
1 314 . 19 1 1 A 29 29 CYS N N 29 119.987 117.439 2.548 1
1 315 . 19 1 1 A 30 30 VAL H H 30 7.139 7.116 0.023 1
1 316 . 19 1 1 A 30 30 VAL HA H 30 3.373 3.631 -0.258 1
1 324 . 19 1 1 A 30 30 VAL C C 30 178.225 178.002 0.223 1
1 325 . 19 1 1 A 30 30 VAL CA C 30 65.903 64.536 1.367 1
1 326 . 19 1 1 A 30 30 VAL CB C 30 31.446 31.523 -0.077 1
1 329 . 19 1 1 A 30 30 VAL N N 30 125.016 119.164 5.852 1
1 330 . 19 1 1 A 31 31 ALA H H 31 7.393 7.746 -0.353 1
1 331 . 19 1 1 A 31 31 ALA HA H 31 4.126 4.088 0.038 1
1 335 . 19 1 1 A 31 31 ALA C C 31 178.111 179.990 -1.879 1
1 336 . 19 1 1 A 31 31 ALA CA C 31 53.715 54.496 -0.781 1
1 337 . 19 1 1 A 31 31 ALA CB C 31 19.223 18.505 0.718 1
1 338 . 19 1 1 A 31 31 ALA N N 31 120.554 124.028 -3.474 1
1 339 . 19 1 1 A 32 32 THR H H 32 7.253 7.776 -0.523 1
1 340 . 19 1 1 A 32 32 THR HA H 32 4.116 4.051 0.065 1
1 345 . 19 1 1 A 32 32 THR C C 32 175.655 176.012 -0.357 1
1 346 . 19 1 1 A 32 32 THR CA C 32 64.727 65.805 -1.078 1
1 347 . 19 1 1 A 32 32 THR CB C 32 69.144 69.289 -0.145 1
1 349 . 19 1 1 A 32 32 THR N N 32 109.150 113.837 -4.687 1
1 350 . 19 1 1 A 33 33 VAL H H 33 7.939 7.671 0.268 1
1 351 . 19 1 1 A 33 33 VAL HA H 33 4.504 4.302 0.202 1
1 359 . 19 1 1 A 33 33 VAL C C 33 175.594 176.172 -0.578 1
1 360 . 19 1 1 A 33 33 VAL CA C 33 60.596 60.435 0.161 1
1 361 . 19 1 1 A 33 33 VAL CB C 33 34.900 31.368 3.532 1
1 364 . 19 1 1 A 33 33 VAL N N 33 108.519 113.142 -4.623 1
1 365 . 19 1 1 A 34 34 GLY H H 34 7.439 7.767 -0.328 1
1 366 . 19 1 1 A 34 34 GLY HA2 H 34 4.099 3.659 0.440 1
1 367 . 19 1 1 A 34 34 GLY HA3 H 34 3.846 3.773 0.073 1
1 368 . 19 1 1 A 34 34 GLY C C 34 173.655 173.550 0.105 1
1 369 . 19 1 1 A 34 34 GLY CA C 34 46.538 45.387 1.151 1
1 370 . 19 1 1 A 34 34 GLY N N 34 109.672 110.180 -0.508 1
1 371 . 19 1 1 A 35 35 TYR H H 35 6.215 7.531 -1.316 1
1 372 . 19 1 1 A 35 35 TYR HA H 35 4.415 4.409 0.006 1
1 379 . 19 1 1 A 35 35 TYR C C 35 174.492 175.270 -0.778 1
1 380 . 19 1 1 A 35 35 TYR CA C 35 57.289 58.992 -1.703 1
1 381 . 19 1 1 A 35 35 TYR CB C 35 40.784 37.960 2.824 1
1 386 . 19 1 1 A 35 35 TYR N N 35 117.067 119.977 -2.910 1
1 387 . 19 1 1 A 36 36 GLN H H 36 9.145 8.614 0.531 1
1 388 . 19 1 1 A 36 36 GLN HA H 36 4.285 4.224 0.061 1
1 393 . 19 1 1 A 36 36 GLN CA C 36 53.760 54.587 -0.827 1
1 394 . 19 1 1 A 36 36 GLN CB C 36 27.558 28.380 -0.822 1
1 396 . 19 1 1 A 36 36 GLN N N 36 117.664 123.936 -6.272 1
1 397 . 19 1 1 A 37 37 PRO HA H 37 3.755 4.016 -0.261 1
1 404 . 19 1 1 A 37 37 PRO C C 37 178.629 178.198 0.431 1
1 405 . 19 1 1 A 37 37 PRO CA C 37 66.415 65.824 0.591 1
1 406 . 19 1 1 A 37 37 PRO CB C 37 31.313 31.673 -0.360 1
1 409 . 19 1 1 A 38 38 GLN H H 38 8.870 8.802 0.068 1
1 410 . 19 1 1 A 38 38 GLN HA H 38 3.996 4.069 -0.073 1
1 415 . 19 1 1 A 38 38 GLN C C 38 177.121 177.702 -0.581 1
1 416 . 19 1 1 A 38 38 GLN CA C 38 58.468 58.663 -0.195 1
1 417 . 19 1 1 A 38 38 GLN CB C 38 27.259 27.679 -0.420 1
1 419 . 19 1 1 A 38 38 GLN N N 38 113.031 115.325 -2.294 1
1 420 . 19 1 1 A 39 39 GLU H H 39 7.799 7.967 -0.168 1
1 421 . 19 1 1 A 39 39 GLU HA H 39 4.203 4.267 -0.064 1
1 426 . 19 1 1 A 39 39 GLU C C 39 175.485 177.428 -1.943 1
1 427 . 19 1 1 A 39 39 GLU CA C 39 57.598 58.426 -0.828 1
1 428 . 19 1 1 A 39 39 GLU CB C 39 30.955 29.633 1.322 1
1 430 . 19 1 1 A 39 39 GLU N N 39 117.366 119.826 -2.460 1
1 431 . 19 1 1 A 40 40 LEU H H 40 7.001 7.277 -0.276 1
1 432 . 19 1 1 A 40 40 LEU HA H 40 4.205 4.540 -0.335 1
1 442 . 19 1 1 A 40 40 LEU C C 40 176.417 177.413 -0.996 1
1 443 . 19 1 1 A 40 40 LEU CA C 40 55.345 55.743 -0.398 1
1 444 . 19 1 1 A 40 40 LEU CB C 40 43.190 43.496 -0.306 1
1 448 . 19 1 1 A 40 40 LEU N N 40 116.615 118.365 -1.750 1
1 449 . 19 1 1 A 41 41 LEU H H 41 7.521 7.923 -0.402 1
1 450 . 19 1 1 A 41 41 LEU HA H 41 3.678 4.287 -0.609 1
1 460 . 19 1 1 A 41 41 LEU C C 41 177.754 177.970 -0.216 1
1 461 . 19 1 1 A 41 41 LEU CA C 41 57.050 57.313 -0.263 1
1 462 . 19 1 1 A 41 41 LEU CB C 41 42.155 41.648 0.507 1
1 466 . 19 1 1 A 41 41 LEU N N 41 117.814 121.196 -3.382 1
1 467 . 19 1 1 A 42 42 GLY H H 42 8.535 9.293 -0.758 1
1 468 . 19 1 1 A 42 42 GLY HA2 H 42 4.328 4.015 0.313 1
1 469 . 19 1 1 A 42 42 GLY HA3 H 42 3.601 4.015 -0.414 1
1 470 . 19 1 1 A 42 42 GLY C C 42 173.808 173.858 -0.050 1
1 471 . 19 1 1 A 42 42 GLY CA C 42 45.689 45.275 0.414 1
1 472 . 19 1 1 A 42 42 GLY N N 42 110.496 111.921 -1.425 1
1 473 . 19 1 1 A 43 43 LYS H H 43 8.398 8.160 0.238 1
1 474 . 19 1 1 A 43 43 LYS HA H 43 4.680 4.583 0.097 1
1 483 . 19 1 1 A 43 43 LYS C C 43 173.943 175.522 -1.579 1
1 484 . 19 1 1 A 43 43 LYS CA C 43 54.361 54.676 -0.315 1
1 485 . 19 1 1 A 43 43 LYS CB C 43 33.960 34.184 -0.224 1
1 489 . 19 1 1 A 43 43 LYS N N 43 120.461 120.773 -0.312 1
1 490 . 19 1 1 A 44 44 ASN H H 44 8.892 8.170 0.722 1
1 491 . 19 1 1 A 44 44 ASN HA H 44 4.690 4.605 0.085 1
1 496 . 19 1 1 A 44 44 ASN C C 44 176.922 175.776 1.146 1
1 497 . 19 1 1 A 44 44 ASN CA C 44 52.256 53.271 -1.015 1
1 498 . 19 1 1 A 44 44 ASN CB C 44 40.451 39.611 0.840 1
1 499 . 19 1 1 A 44 44 ASN N N 44 119.869 121.919 -2.050 1
1 501 . 19 1 1 A 45 45 ILE H H 45 8.543 8.308 0.235 1
1 502 . 19 1 1 A 45 45 ILE HA H 45 3.887 3.633 0.254 1
1 511 . 19 1 1 A 45 45 ILE C C 45 176.137 177.020 -0.883 1
1 512 . 19 1 1 A 45 45 ILE CA C 45 65.116 64.117 0.999 1
1 513 . 19 1 1 A 45 45 ILE CB C 45 36.637 37.407 -0.770 1
1 517 . 19 1 1 A 45 45 ILE N N 45 129.131 127.536 1.595 1
1 518 . 19 1 1 A 46 46 VAL H H 46 9.059 7.340 1.719 1
1 519 . 19 1 1 A 46 46 VAL HA H 46 3.439 3.741 -0.302 1
1 527 . 19 1 1 A 46 46 VAL C C 46 178.407 178.143 0.264 1
1 528 . 19 1 1 A 46 46 VAL CA C 46 65.705 65.364 0.341 1
1 529 . 19 1 1 A 46 46 VAL CB C 46 31.022 31.173 -0.151 1
1 532 . 19 1 1 A 46 46 VAL N N 46 118.981 117.476 1.505 1
1 533 . 19 1 1 A 47 47 GLU H H 47 7.923 8.320 -0.397 1
1 534 . 19 1 1 A 47 47 GLU HA H 47 3.989 3.909 0.080 1
1 539 . 19 1 1 A 47 47 GLU C C 47 177.664 178.306 -0.642 1
1 540 . 19 1 1 A 47 47 GLU CA C 47 57.999 59.019 -1.020 1
1 541 . 19 1 1 A 47 47 GLU CB C 47 28.849 28.957 -0.108 1
1 543 . 19 1 1 A 47 47 GLU N N 47 117.733 121.449 -3.716 1
1 544 . 19 1 1 A 48 48 PHE H H 48 7.689 7.427 0.262 1
1 545 . 19 1 1 A 48 48 PHE HA H 48 4.177 4.240 -0.063 1
1 553 . 19 1 1 A 48 48 PHE C C 48 172.739 175.830 -3.091 1
1 554 . 19 1 1 A 48 48 PHE CA C 48 57.725 59.473 -1.748 1
1 555 . 19 1 1 A 48 48 PHE CB C 48 39.428 39.541 -0.113 1
1 561 . 19 1 1 A 48 48 PHE N N 48 117.768 115.168 2.600 1
1 562 . 19 1 1 A 49 49 CYS H H 49 7.413 7.351 0.062 1
1 563 . 19 1 1 A 49 49 CYS HA H 49 5.671 4.996 0.675 1
1 566 . 19 1 1 A 49 49 CYS CA C 49 56.429 60.070 -3.641 1
1 567 . 19 1 1 A 49 49 CYS CB C 49 28.747 28.032 0.715 1
1 568 . 19 1 1 A 49 49 CYS N N 49 119.705 118.158 1.547 1
1 569 . 19 1 1 A 50 50 HIS H H 50 8.640 8.571 0.069 1
1 570 . 19 1 1 A 50 50 HIS HA H 50 3.655 3.897 -0.242 1
1 574 . 19 1 1 A 50 50 HIS CA C 50 56.934 54.809 2.125 1
1 575 . 19 1 1 A 50 50 HIS CB C 50 32.071 30.210 1.861 1
1 577 . 19 1 1 A 50 50 HIS N N 50 134.180 124.892 9.288 1
1 578 . 19 1 1 A 51 51 PRO HA H 51 4.044 4.128 -0.084 1
1 584 . 19 1 1 A 51 51 PRO C C 51 179.121 178.906 0.215 1
1 585 . 19 1 1 A 51 51 PRO CA C 51 65.989 66.088 -0.099 1
1 586 . 19 1 1 A 51 51 PRO CB C 51 32.605 31.492 1.113 1
1 589 . 19 1 1 A 52 52 GLU H H 52 10.986 8.883 2.103 1
1 590 . 19 1 1 A 52 52 GLU HA H 52 4.125 4.121 0.004 1
1 595 . 19 1 1 A 52 52 GLU C C 52 177.643 177.277 0.366 1
1 596 . 19 1 1 A 52 52 GLU CA C 52 58.522 58.998 -0.476 1
1 597 . 19 1 1 A 52 52 GLU CB C 52 29.347 28.948 0.399 1
1 599 . 19 1 1 A 52 52 GLU N N 52 119.351 117.773 1.578 1
1 600 . 19 1 1 A 53 53 ASP H H 53 8.203 8.126 0.077 1
1 601 . 19 1 1 A 53 53 ASP HA H 53 4.898 4.623 0.275 1
1 604 . 19 1 1 A 53 53 ASP C C 53 175.641 177.275 -1.634 1
1 605 . 19 1 1 A 53 53 ASP CA C 53 54.092 54.874 -0.782 1
1 606 . 19 1 1 A 53 53 ASP CB C 53 43.596 41.720 1.876 1
1 607 . 19 1 1 A 53 53 ASP N N 53 117.757 117.882 -0.125 1
1 608 . 19 1 1 A 54 54 GLN H H 54 6.922 8.036 -1.114 1
1 609 . 19 1 1 A 54 54 GLN HA H 54 3.985 3.947 0.038 1
1 616 . 19 1 1 A 54 54 GLN C C 54 177.417 178.691 -1.274 1
1 617 . 19 1 1 A 54 54 GLN CA C 54 60.084 58.914 1.170 1
1 618 . 19 1 1 A 54 54 GLN CB C 54 28.448 28.152 0.296 1
1 620 . 19 1 1 A 54 54 GLN N N 54 118.680 119.478 -0.798 1
1 622 . 19 1 1 A 55 55 GLN H H 55 8.663 7.945 0.718 1
1 623 . 19 1 1 A 55 55 GLN HA H 55 3.778 4.022 -0.244 1
1 630 . 19 1 1 A 55 55 GLN C C 55 177.398 178.062 -0.664 1
1 631 . 19 1 1 A 55 55 GLN CA C 55 58.812 58.588 0.224 1
1 632 . 19 1 1 A 55 55 GLN CB C 55 27.402 28.317 -0.915 1
1 634 . 19 1 1 A 55 55 GLN N N 55 119.173 120.019 -0.846 1
1 636 . 19 1 1 A 56 56 LEU H H 56 7.935 7.590 0.345 1
1 637 . 19 1 1 A 56 56 LEU HA H 56 4.071 4.062 0.009 1
1 647 . 19 1 1 A 56 56 LEU C C 56 180.037 177.965 2.072 1
1 648 . 19 1 1 A 56 56 LEU CA C 56 57.698 57.546 0.152 1
1 649 . 19 1 1 A 56 56 LEU CB C 56 41.586 41.917 -0.331 1
1 653 . 19 1 1 A 56 56 LEU N N 56 119.661 120.688 -1.027 1
1 654 . 19 1 1 A 57 57 LEU H H 57 7.382 7.885 -0.503 1
1 655 . 19 1 1 A 57 57 LEU HA H 57 3.575 3.620 -0.045 1
1 665 . 19 1 1 A 57 57 LEU C C 57 178.470 178.158 0.312 1
1 666 . 19 1 1 A 57 57 LEU CA C 57 57.703 58.120 -0.417 1
1 667 . 19 1 1 A 57 57 LEU CB C 57 42.077 41.517 0.560 1
1 671 . 19 1 1 A 57 57 LEU N N 57 119.857 119.887 -0.030 1
1 672 . 19 1 1 A 58 58 ARG H H 58 8.118 8.621 -0.503 1
1 673 . 19 1 1 A 58 58 ARG HA H 58 3.338 3.836 -0.498 1
1 680 . 19 1 1 A 58 58 ARG C C 58 179.713 178.629 1.084 1
1 681 . 19 1 1 A 58 58 ARG CA C 58 60.120 59.313 0.807 1
1 682 . 19 1 1 A 58 58 ARG CB C 58 30.320 29.946 0.374 1
1 685 . 19 1 1 A 58 58 ARG N N 58 118.198 117.953 0.245 1
1 686 . 19 1 1 A 59 59 ASP H H 59 8.748 7.947 0.801 1
1 687 . 19 1 1 A 59 59 ASP HA H 59 4.336 4.300 0.036 1
1 690 . 19 1 1 A 59 59 ASP C C 59 179.130 178.200 0.930 1
1 691 . 19 1 1 A 59 59 ASP CA C 59 57.197 57.673 -0.476 1
1 692 . 19 1 1 A 59 59 ASP CB C 59 40.212 41.375 -1.163 1
1 693 . 19 1 1 A 59 59 ASP N N 59 119.165 119.633 -0.468 1
1 694 . 19 1 1 A 60 60 SER H H 60 7.552 7.881 -0.329 1
1 695 . 19 1 1 A 60 60 SER HA H 60 4.116 4.092 0.024 1
1 698 . 19 1 1 A 60 60 SER C C 60 175.883 176.839 -0.956 1
1 699 . 19 1 1 A 60 60 SER CA C 60 61.975 62.224 -0.249 1
1 700 . 19 1 1 A 60 60 SER CB C 60 63.098 62.593 0.505 1
1 701 . 19 1 1 A 60 60 SER N N 60 117.761 116.182 1.579 1
1 702 . 19 1 1 A 61 61 PHE H H 61 7.063 7.541 -0.478 1
1 703 . 19 1 1 A 61 61 PHE HA H 61 4.614 4.398 0.216 1
1 711 . 19 1 1 A 61 61 PHE C C 61 177.561 178.392 -0.831 1
1 712 . 19 1 1 A 61 61 PHE CA C 61 56.777 62.138 -5.361 1
1 713 . 19 1 1 A 61 61 PHE CB C 61 36.564 38.330 -1.766 1
1 719 . 19 1 1 A 61 61 PHE N N 61 122.009 119.324 2.685 1
1 720 . 19 1 1 A 62 62 GLN H H 62 7.376 8.250 -0.874 1
1 721 . 19 1 1 A 62 62 GLN HA H 62 4.038 3.993 0.045 1
1 726 . 19 1 1 A 62 62 GLN C C 62 179.093 178.970 0.123 1
1 727 . 19 1 1 A 62 62 GLN CA C 62 58.240 59.399 -1.159 1
1 728 . 19 1 1 A 62 62 GLN CB C 62 28.094 28.404 -0.310 1
1 730 . 19 1 1 A 62 62 GLN N N 62 114.929 118.517 -3.588 1
1 731 . 19 1 1 A 63 63 GLN H H 63 7.893 7.763 0.130 1
1 732 . 19 1 1 A 63 63 GLN HA H 63 4.083 4.188 -0.105 1
1 737 . 19 1 1 A 63 63 GLN C C 63 178.244 178.610 -0.366 1
1 738 . 19 1 1 A 63 63 GLN CA C 63 58.408 58.379 0.029 1
1 739 . 19 1 1 A 63 63 GLN CB C 63 28.755 28.444 0.311 1
1 741 . 19 1 1 A 63 63 GLN N N 63 117.434 120.453 -3.019 1
1 742 . 19 1 1 A 64 64 VAL H H 64 8.220 8.068 0.152 1
1 743 . 19 1 1 A 64 64 VAL HA H 64 3.663 4.136 -0.473 1
1 751 . 19 1 1 A 64 64 VAL C C 64 177.137 178.102 -0.965 1
1 752 . 19 1 1 A 64 64 VAL CA C 64 66.107 65.479 0.628 1
1 753 . 19 1 1 A 64 64 VAL CB C 64 31.475 31.753 -0.278 1
1 756 . 19 1 1 A 64 64 VAL N N 64 118.766 117.710 1.056 1
1 757 . 19 1 1 A 65 65 VAL H H 65 6.860 7.727 -0.867 1
1 758 . 19 1 1 A 65 65 VAL HA H 65 3.833 3.934 -0.101 1
1 766 . 19 1 1 A 65 65 VAL C C 65 177.624 177.586 0.038 1
1 767 . 19 1 1 A 65 65 VAL CA C 65 64.200 64.681 -0.481 1
1 768 . 19 1 1 A 65 65 VAL CB C 65 31.730 31.717 0.013 1
1 771 . 19 1 1 A 65 65 VAL N N 65 112.590 122.559 -9.969 1
1 772 . 19 1 1 A 66 66 LYS H H 66 7.431 7.856 -0.425 1
1 773 . 19 1 1 A 66 66 LYS HA H 66 4.184 4.008 0.176 1
1 782 . 19 1 1 A 66 66 LYS C C 66 177.374 178.230 -0.856 1
1 783 . 19 1 1 A 66 66 LYS CA C 66 58.190 59.693 -1.503 1
1 784 . 19 1 1 A 66 66 LYS CB C 66 33.232 32.727 0.505 1
1 788 . 19 1 1 A 66 66 LYS N N 66 119.643 122.111 -2.468 1
1 789 . 19 1 1 A 67 67 LEU H H 67 7.859 8.194 -0.335 1
1 790 . 19 1 1 A 67 67 LEU HA H 67 4.552 4.342 0.210 1
1 800 . 19 1 1 A 67 67 LEU C C 67 175.532 175.790 -0.258 1
1 801 . 19 1 1 A 67 67 LEU CA C 67 53.108 55.002 -1.894 1
1 802 . 19 1 1 A 67 67 LEU CB C 67 40.979 41.798 -0.819 1
1 806 . 19 1 1 A 67 67 LEU N N 67 121.288 118.091 3.197 1
1 807 . 19 1 1 A 68 68 LYS H H 68 7.475 8.087 -0.612 1
1 808 . 19 1 1 A 68 68 LYS HA H 68 4.156 4.195 -0.039 1
1 817 . 19 1 1 A 68 68 LYS C C 68 177.987 176.620 1.367 1
1 818 . 19 1 1 A 68 68 LYS CA C 68 58.388 57.430 0.958 1
1 819 . 19 1 1 A 68 68 LYS CB C 68 32.207 30.869 1.338 1
1 823 . 19 1 1 A 68 68 LYS N N 68 119.626 116.746 2.880 1
1 824 . 19 1 1 A 69 69 GLY H H 69 8.696 8.234 0.462 1
1 825 . 19 1 1 A 69 69 GLY HA2 H 69 4.294 4.056 0.238 1
1 826 . 19 1 1 A 69 69 GLY HA3 H 69 3.896 4.060 -0.164 1
1 827 . 19 1 1 A 69 69 GLY CA C 69 45.335 45.240 0.095 1
1 828 . 19 1 1 A 69 69 GLY N N 69 113.681 105.537 8.144 1
1 829 . 19 1 1 A 70 70 GLN H H 70 8.031 7.926 0.105 1
1 830 . 19 1 1 A 70 70 GLN HA H 70 4.508 4.270 0.238 1
1 835 . 19 1 1 A 70 70 GLN C C 70 174.684 175.109 -0.425 1
1 836 . 19 1 1 A 70 70 GLN CA C 70 55.347 56.487 -1.140 1
1 837 . 19 1 1 A 70 70 GLN CB C 70 30.111 29.334 0.777 1
1 839 . 19 1 1 A 70 70 GLN N N 70 119.949 121.822 -1.873 1
1 840 . 19 1 1 A 71 71 VAL H H 71 8.232 8.408 -0.176 1
1 841 . 19 1 1 A 71 71 VAL HA H 71 4.822 4.560 0.262 1
1 849 . 19 1 1 A 71 71 VAL C C 71 176.406 174.772 1.634 1
1 850 . 19 1 1 A 71 71 VAL CA C 71 61.198 62.404 -1.206 1
1 851 . 19 1 1 A 71 71 VAL CB C 71 32.964 32.881 0.083 1
1 854 . 19 1 1 A 71 71 VAL N N 71 121.816 126.710 -4.894 1
1 855 . 19 1 1 A 72 72 LEU H H 72 9.052 9.202 -0.150 1
1 856 . 19 1 1 A 72 72 LEU HA H 72 4.827 5.252 -0.425 1
1 865 . 19 1 1 A 72 72 LEU C C 72 175.411 175.552 -0.141 1
1 866 . 19 1 1 A 72 72 LEU CA C 72 52.895 53.517 -0.622 1
1 867 . 19 1 1 A 72 72 LEU CB C 72 44.755 45.170 -0.415 1
1 870 . 19 1 1 A 72 72 LEU N N 72 130.331 128.832 1.499 1
1 871 . 19 1 1 A 73 73 SER H H 73 8.057 9.047 -0.990 1
1 872 . 19 1 1 A 73 73 SER HA H 73 5.211 5.772 -0.561 1
1 875 . 19 1 1 A 73 73 SER C C 73 174.562 173.141 1.421 1
1 876 . 19 1 1 A 73 73 SER CA C 73 56.591 56.713 -0.122 1
1 877 . 19 1 1 A 73 73 SER CB C 73 66.336 64.968 1.368 1
1 878 . 19 1 1 A 73 73 SER N N 73 113.040 118.876 -5.836 1
1 879 . 19 1 1 A 74 74 VAL H H 74 8.799 8.720 0.079 1
1 880 . 19 1 1 A 74 74 VAL HA H 74 4.705 5.004 -0.299 1
1 888 . 19 1 1 A 74 74 VAL C C 74 174.122 174.006 0.116 1
1 889 . 19 1 1 A 74 74 VAL CA C 74 59.403 59.534 -0.131 1
1 890 . 19 1 1 A 74 74 VAL CB C 74 35.474 35.899 -0.425 1
1 893 . 19 1 1 A 74 74 VAL N N 74 122.721 121.923 0.798 1
1 894 . 19 1 1 A 75 75 MET H H 75 8.195 8.802 -0.607 1
1 895 . 19 1 1 A 75 75 MET HA H 75 5.922 6.079 -0.157 1
1 903 . 19 1 1 A 75 75 MET C C 75 175.531 175.633 -0.102 1
1 904 . 19 1 1 A 75 75 MET CA C 75 54.021 54.014 0.007 1
1 905 . 19 1 1 A 75 75 MET CB C 75 34.750 34.114 0.636 1
1 908 . 19 1 1 A 75 75 MET N N 75 120.057 123.688 -3.631 1
1 909 . 19 1 1 A 76 76 PHE H H 76 9.394 9.028 0.366 1
1 910 . 19 1 1 A 76 76 PHE HA H 76 5.004 5.153 -0.149 1
1 918 . 19 1 1 A 76 76 PHE C C 76 171.623 172.346 -0.723 1
1 919 . 19 1 1 A 76 76 PHE CA C 76 55.802 55.494 0.308 1
1 920 . 19 1 1 A 76 76 PHE CB C 76 42.072 42.063 0.009 1
1 926 . 19 1 1 A 76 76 PHE N N 76 120.244 119.976 0.268 1
1 927 . 19 1 1 A 77 77 ARG H H 77 8.783 8.288 0.495 1
1 928 . 19 1 1 A 77 77 ARG HA H 77 4.420 4.221 0.199 1
1 936 . 19 1 1 A 77 77 ARG C C 77 173.455 174.423 -0.968 1
1 937 . 19 1 1 A 77 77 ARG CA C 77 54.218 55.016 -0.798 1
1 938 . 19 1 1 A 77 77 ARG CB C 77 32.439 30.297 2.142 1
1 941 . 19 1 1 A 77 77 ARG N N 77 121.379 119.013 2.366 1
1 943 . 19 1 1 A 78 78 PHE H H 78 9.258 9.267 -0.009 1
1 944 . 19 1 1 A 78 78 PHE HA H 78 5.438 5.226 0.212 1
1 952 . 19 1 1 A 78 78 PHE C C 78 175.873 174.471 1.402 1
1 953 . 19 1 1 A 78 78 PHE CA C 78 55.173 56.882 -1.709 1
1 954 . 19 1 1 A 78 78 PHE CB C 78 44.530 40.090 4.440 1
1 960 . 19 1 1 A 78 78 PHE N N 78 128.097 126.206 1.891 1
1 961 . 19 1 1 A 79 79 ARG H H 79 9.242 8.731 0.511 1
1 962 . 19 1 1 A 79 79 ARG HA H 79 4.201 4.762 -0.561 1
1 969 . 19 1 1 A 79 79 ARG C C 79 175.316 176.082 -0.766 1
1 970 . 19 1 1 A 79 79 ARG CA C 79 55.255 57.011 -1.756 1
1 971 . 19 1 1 A 79 79 ARG CB C 79 29.358 30.445 -1.087 1
1 974 . 19 1 1 A 79 79 ARG N N 79 129.898 130.596 -0.698 1
1 975 . 19 1 1 A 80 80 SER H H 80 9.253 8.732 0.521 1
1 976 . 19 1 1 A 80 80 SER HA H 80 4.772 5.007 -0.235 1
1 979 . 19 1 1 A 80 80 SER C C 80 174.983 174.858 0.125 1
1 980 . 19 1 1 A 80 80 SER CA C 80 58.191 56.563 1.628 1
1 981 . 19 1 1 A 80 80 SER CB C 80 64.930 65.388 -0.458 1
1 982 . 19 1 1 A 80 80 SER N N 80 128.002 122.483 5.519 1
1 983 . 19 1 1 A 81 81 LYS H H 81 8.065 8.677 -0.612 1
1 984 . 19 1 1 A 81 81 LYS HA H 81 3.675 3.654 0.021 1
1 993 . 19 1 1 A 81 81 LYS C C 81 177.417 177.281 0.136 1
1 994 . 19 1 1 A 81 81 LYS CA C 81 59.236 58.478 0.758 1
1 995 . 19 1 1 A 81 81 LYS CB C 81 31.641 32.035 -0.394 1
1 999 . 19 1 1 A 81 81 LYS N N 81 123.505 125.645 -2.140 1
1 1000 . 19 1 1 A 82 82 ASN H H 82 7.934 7.463 0.471 1
1 1001 . 19 1 1 A 82 82 ASN HA H 82 4.679 4.752 -0.073 1
1 1006 . 19 1 1 A 82 82 ASN C C 82 173.949 174.235 -0.286 1
1 1007 . 19 1 1 A 82 82 ASN CA C 82 52.764 52.711 0.053 1
1 1008 . 19 1 1 A 82 82 ASN CB C 82 37.428 38.639 -1.211 1
1 1009 . 19 1 1 A 82 82 ASN N N 82 115.202 114.383 0.819 1
1 1011 . 19 1 1 A 83 83 GLN H H 83 8.099 8.252 -0.153 1
1 1012 . 19 1 1 A 83 83 GLN HA H 83 3.382 3.776 -0.394 1
1 1019 . 19 1 1 A 83 83 GLN C C 83 174.208 174.122 0.086 1
1 1020 . 19 1 1 A 83 83 GLN CA C 83 56.400 56.992 -0.592 1
1 1021 . 19 1 1 A 83 83 GLN CB C 83 25.003 26.119 -1.116 1
1 1023 . 19 1 1 A 83 83 GLN N N 83 112.357 116.465 -4.108 1
1 1025 . 19 1 1 A 84 84 GLU H H 84 7.385 7.622 -0.237 1
1 1026 . 19 1 1 A 84 84 GLU HA H 84 4.322 4.676 -0.354 1
1 1031 . 19 1 1 A 84 84 GLU CA C 84 54.720 54.622 0.098 1
1 1032 . 19 1 1 A 84 84 GLU CB C 84 31.713 33.341 -1.628 1
1 1034 . 19 1 1 A 84 84 GLU N N 84 117.557 116.647 0.910 1
1 1035 . 19 1 1 A 85 85 TRP H H 85 8.645 8.692 -0.047 1
1 1036 . 19 1 1 A 85 85 TRP HA H 85 5.145 4.830 0.315 1
1 1045 . 19 1 1 A 85 85 TRP C C 85 175.772 175.713 0.059 1
1 1046 . 19 1 1 A 85 85 TRP CA C 85 55.591 57.111 -1.520 1
1 1047 . 19 1 1 A 85 85 TRP CB C 85 30.113 28.143 1.970 1
1 1053 . 19 1 1 A 85 85 TRP N N 85 121.388 123.649 -2.261 1
1 1055 . 19 1 1 A 86 86 LEU H H 86 9.348 8.822 0.526 1
1 1056 . 19 1 1 A 86 86 LEU HA H 86 4.847 4.740 0.107 1
1 1066 . 19 1 1 A 86 86 LEU C C 86 176.991 176.374 0.617 1
1 1067 . 19 1 1 A 86 86 LEU CA C 86 53.102 54.514 -1.412 1
1 1068 . 19 1 1 A 86 86 LEU CB C 86 44.527 41.392 3.135 1
1 1071 . 19 1 1 A 86 86 LEU N N 86 126.537 125.974 0.563 1
1 1072 . 19 1 1 A 87 87 TRP H H 87 8.870 8.420 0.450 1
1 1073 . 19 1 1 A 87 87 TRP HA H 87 4.465 4.943 -0.478 1
1 1082 . 19 1 1 A 87 87 TRP C C 87 175.731 176.949 -1.218 1
1 1083 . 19 1 1 A 87 87 TRP CA C 87 59.207 58.342 0.865 1
1 1084 . 19 1 1 A 87 87 TRP CB C 87 29.736 30.235 -0.499 1
1 1090 . 19 1 1 A 87 87 TRP N N 87 123.902 126.774 -2.872 1
1 1092 . 19 1 1 A 88 88 MET H H 88 9.432 9.110 0.322 1
1 1093 . 19 1 1 A 88 88 MET HA H 88 5.267 5.583 -0.316 1
1 1101 . 19 1 1 A 88 88 MET C C 88 174.713 174.403 0.310 1
1 1102 . 19 1 1 A 88 88 MET CA C 88 52.557 54.230 -1.673 1
1 1103 . 19 1 1 A 88 88 MET CB C 88 36.139 37.347 -1.208 1
1 1106 . 19 1 1 A 88 88 MET N N 88 123.412 121.680 1.732 1
1 1107 . 19 1 1 A 89 89 ARG H H 89 9.282 8.971 0.311 1
1 1108 . 19 1 1 A 89 89 ARG HA H 89 5.702 5.239 0.463 1
1 1115 . 19 1 1 A 89 89 ARG C C 89 177.137 175.902 1.235 1
1 1116 . 19 1 1 A 89 89 ARG CA C 89 54.266 54.672 -0.406 1
1 1117 . 19 1 1 A 89 89 ARG CB C 89 34.404 32.216 2.188 1
1 1120 . 19 1 1 A 89 89 ARG N N 89 119.570 120.693 -1.123 1
1 1121 . 19 1 1 A 90 90 THR H H 90 9.298 9.131 0.167 1
1 1122 . 19 1 1 A 90 90 THR HA H 90 5.625 5.356 0.269 1
1 1127 . 19 1 1 A 90 90 THR C C 90 176.787 174.373 2.414 1
1 1128 . 19 1 1 A 90 90 THR CA C 90 60.327 60.261 0.066 1
1 1129 . 19 1 1 A 90 90 THR CB C 90 72.187 70.495 1.692 1
1 1131 . 19 1 1 A 90 90 THR N N 90 115.133 117.262 -2.129 1
1 1132 . 19 1 1 A 91 91 SER H H 91 8.194 8.753 -0.559 1
1 1133 . 19 1 1 A 91 91 SER HA H 91 4.860 5.198 -0.338 1
1 1136 . 19 1 1 A 91 91 SER C C 91 175.171 173.107 2.064 1
1 1137 . 19 1 1 A 91 91 SER CA C 91 59.224 57.084 2.140 1
1 1138 . 19 1 1 A 91 91 SER CB C 91 64.094 63.801 0.293 1
1 1139 . 19 1 1 A 91 91 SER N N 91 114.043 121.183 -7.140 1
1 1140 . 19 1 1 A 92 92 SER H H 92 9.864 8.101 1.763 1
1 1141 . 19 1 1 A 92 92 SER HA H 92 6.204 5.060 1.144 1
1 1144 . 19 1 1 A 92 92 SER C C 92 171.748 174.161 -2.413 1
1 1145 . 19 1 1 A 92 92 SER CA C 92 58.818 59.659 -0.841 1
1 1146 . 19 1 1 A 92 92 SER CB C 92 66.419 63.928 2.491 1
1 1147 . 19 1 1 A 92 92 SER N N 92 125.442 121.764 3.678 1
1 1148 . 19 1 1 A 93 93 GLN H H 93 8.873 8.762 0.111 1
1 1149 . 19 1 1 A 93 93 GLN HA H 93 5.048 5.088 -0.040 1
1 1156 . 19 1 1 A 93 93 GLN C C 93 174.145 174.532 -0.387 1
1 1157 . 19 1 1 A 93 93 GLN CA C 93 54.262 54.395 -0.133 1
1 1158 . 19 1 1 A 93 93 GLN CB C 93 33.131 32.724 0.407 1
1 1160 . 19 1 1 A 93 93 GLN N N 93 117.328 122.310 -4.982 1
1 1162 . 19 1 1 A 94 94 THR H H 94 8.846 8.580 0.266 1
1 1163 . 19 1 1 A 94 94 THR HA H 94 3.979 4.530 -0.551 1
1 1168 . 19 1 1 A 94 94 THR C C 94 174.677 174.522 0.155 1
1 1169 . 19 1 1 A 94 94 THR CA C 94 64.467 62.615 1.852 1
1 1170 . 19 1 1 A 94 94 THR CB C 94 68.894 69.122 -0.228 1
1 1172 . 19 1 1 A 94 94 THR N N 94 116.526 112.794 3.732 1
1 1173 . 19 1 1 A 95 95 ALA H H 95 8.188 8.282 -0.094 1
1 1174 . 19 1 1 A 95 95 ALA HA H 95 4.161 4.239 -0.078 1
1 1178 . 19 1 1 A 95 95 ALA C C 95 176.285 177.124 -0.839 1
1 1179 . 19 1 1 A 95 95 ALA CA C 95 51.847 52.299 -0.452 1
1 1180 . 19 1 1 A 95 95 ALA CB C 95 18.999 19.783 -0.784 1
1 1181 . 19 1 1 A 95 95 ALA N N 95 126.311 128.221 -1.910 1
1 1182 . 19 1 1 A 96 96 GLN H H 96 8.324 8.573 -0.249 1
1 1183 . 19 1 1 A 96 96 GLN HA H 96 4.175 4.586 -0.411 1
1 1190 . 19 1 1 A 96 96 GLN C C 96 176.230 175.324 0.906 1
1 1191 . 19 1 1 A 96 96 GLN CA C 96 54.621 54.537 0.084 1
1 1192 . 19 1 1 A 96 96 GLN CB C 96 30.003 30.740 -0.737 1
1 1194 . 19 1 1 A 96 96 GLN N N 96 116.920 117.951 -1.031 1
1 1196 . 19 1 1 A 97 97 ASN H H 97 8.512 8.501 0.011 1
1 1197 . 19 1 1 A 97 97 ASN HA H 97 4.436 4.544 -0.108 1
1 1200 . 19 1 1 A 97 97 ASN CA C 97 52.928 51.276 1.652 1
1 1201 . 19 1 1 A 97 97 ASN CB C 97 37.851 38.994 -1.143 1
1 1202 . 19 1 1 A 97 97 ASN N N 97 119.656 122.069 -2.413 1
1 1203 . 19 1 1 A 98 98 PRO HA H 98 4.566 4.383 0.183 1
1 1210 . 19 1 1 A 98 98 PRO C C 98 175.164 176.047 -0.883 1
1 1211 . 19 1 1 A 98 98 PRO CA C 98 63.824 63.507 0.317 1
1 1212 . 19 1 1 A 98 98 PRO CB C 98 32.473 32.811 -0.338 1
1 1215 . 19 1 1 A 99 99 TYR H H 99 8.780 7.049 1.731 1
1 1216 . 19 1 1 A 99 99 TYR HA H 99 4.996 4.672 0.324 1
1 1223 . 19 1 1 A 99 99 TYR C C 99 176.421 176.232 0.189 1
1 1224 . 19 1 1 A 99 99 TYR CA C 99 55.837 57.739 -1.902 1
1 1225 . 19 1 1 A 99 99 TYR CB C 99 37.199 37.853 -0.654 1
1 1230 . 19 1 1 A 99 99 TYR N N 99 127.975 118.583 9.392 1
1 1231 . 19 1 1 A 100 100 SER H H 100 7.655 8.026 -0.371 1
1 1232 . 19 1 1 A 100 100 SER HA H 100 4.274 4.617 -0.343 1
1 1235 . 19 1 1 A 100 100 SER C C 100 174.144 176.550 -2.406 1
1 1236 . 19 1 1 A 100 100 SER CA C 100 60.567 61.199 -0.632 1
1 1237 . 19 1 1 A 100 100 SER CB C 100 63.266 63.115 0.151 1
1 1238 . 19 1 1 A 100 100 SER N N 100 113.164 117.640 -4.476 1
1 1239 . 19 1 1 A 101 101 ASP H H 101 8.736 8.321 0.415 1
1 1240 . 19 1 1 A 101 101 ASP HA H 101 4.688 4.561 0.127 1
1 1243 . 19 1 1 A 101 101 ASP C C 101 175.535 176.786 -1.251 1
1 1244 . 19 1 1 A 101 101 ASP CA C 101 54.103 54.737 -0.634 1
1 1245 . 19 1 1 A 101 101 ASP CB C 101 40.098 39.915 0.183 1
1 1246 . 19 1 1 A 101 101 ASP N N 101 118.476 117.031 1.445 1
1 1247 . 19 1 1 A 102 102 GLU H H 102 8.127 8.461 -0.334 1
1 1248 . 19 1 1 A 102 102 GLU HA H 102 4.448 4.709 -0.261 1
1 1253 . 19 1 1 A 102 102 GLU CA C 102 54.963 55.464 -0.501 1
1 1254 . 19 1 1 A 102 102 GLU CB C 102 31.769 31.474 0.295 1
1 1256 . 19 1 1 A 102 102 GLU N N 102 119.744 119.511 0.233 1
1 1257 . 19 1 1 A 103 103 ILE H H 103 8.645 8.498 0.147 1
1 1258 . 19 1 1 A 103 103 ILE HA H 103 4.001 4.712 -0.711 1
1 1268 . 19 1 1 A 103 103 ILE C C 103 174.065 174.503 -0.438 1
1 1269 . 19 1 1 A 103 103 ILE CA C 103 60.418 60.769 -0.351 1
1 1270 . 19 1 1 A 103 103 ILE CB C 103 40.781 40.780 0.001 1
1 1274 . 19 1 1 A 103 103 ILE N N 103 121.388 120.754 0.634 1
1 1275 . 19 1 1 A 104 104 GLU H H 104 8.957 9.105 -0.148 1
1 1276 . 19 1 1 A 104 104 GLU HA H 104 5.099 4.554 0.545 1
1 1281 . 19 1 1 A 104 104 GLU C C 104 175.093 175.245 -0.152 1
1 1282 . 19 1 1 A 104 104 GLU CA C 104 54.898 56.286 -1.388 1
1 1283 . 19 1 1 A 104 104 GLU CB C 104 32.330 30.097 2.233 1
1 1285 . 19 1 1 A 104 104 GLU N N 104 125.935 128.521 -2.586 1
1 1286 . 19 1 1 A 105 105 THR H H 105 8.774 8.829 -0.055 1
1 1287 . 19 1 1 A 105 105 THR HA H 105 5.226 4.938 0.288 1
1 1292 . 19 1 1 A 105 105 THR C C 105 174.876 173.761 1.115 1
1 1293 . 19 1 1 A 105 105 THR CA C 105 61.469 62.278 -0.809 1
1 1294 . 19 1 1 A 105 105 THR CB C 105 70.382 69.973 0.409 1
1 1296 . 19 1 1 A 105 105 THR N N 105 127.200 121.194 6.006 1
1 1297 . 19 1 1 A 106 106 ILE H H 106 9.186 8.961 0.225 1
1 1298 . 19 1 1 A 106 106 ILE HA H 106 4.486 4.605 -0.119 1
1 1308 . 19 1 1 A 106 106 ILE C C 106 175.412 175.152 0.260 1
1 1309 . 19 1 1 A 106 106 ILE CA C 106 61.423 60.442 0.981 1
1 1310 . 19 1 1 A 106 106 ILE CB C 106 38.432 37.776 0.656 1
1 1313 . 19 1 1 A 106 106 ILE N N 106 107.991 128.461 -20.470 1
1 1314 . 19 1 1 A 107 107 ILE H H 107 8.431 8.353 0.078 1
1 1315 . 19 1 1 A 107 107 ILE HA H 107 4.239 4.439 -0.200 1
1 1325 . 19 1 1 A 107 107 ILE C C 107 173.805 174.616 -0.811 1
1 1326 . 19 1 1 A 107 107 ILE CA C 107 61.459 60.655 0.804 1
1 1327 . 19 1 1 A 107 107 ILE CB C 107 37.499 36.769 0.730 1
1 1331 . 19 1 1 A 107 107 ILE N N 107 129.202 128.216 0.986 1
1 1332 . 19 1 1 A 108 108 CYS H H 108 8.581 9.206 -0.625 1
1 1333 . 19 1 1 A 108 108 CYS HA H 108 5.298 5.078 0.220 1
1 1336 . 19 1 1 A 108 108 CYS C C 108 174.235 173.951 0.284 1
1 1337 . 19 1 1 A 108 108 CYS CA C 108 55.861 56.837 -0.976 1
1 1338 . 19 1 1 A 108 108 CYS CB C 108 31.110 30.895 0.215 1
1 1339 . 19 1 1 A 108 108 CYS N N 108 124.561 127.973 -3.412 1
1 1340 . 19 1 1 A 109 109 THR H H 109 8.701 8.844 -0.143 1
1 1341 . 19 1 1 A 109 109 THR HA H 109 4.733 4.499 0.234 1
1 1346 . 19 1 1 A 109 109 THR C C 109 174.927 174.424 0.503 1
1 1347 . 19 1 1 A 109 109 THR CA C 109 63.466 62.362 1.104 1
1 1348 . 19 1 1 A 109 109 THR CB C 109 69.636 69.740 -0.104 1
1 1350 . 19 1 1 A 109 109 THR N N 109 119.017 117.609 1.408 1
1 1351 . 19 1 1 A 110 110 ASN H H 110 8.527 9.154 -0.627 1
1 1352 . 19 1 1 A 110 110 ASN HA H 110 4.891 4.896 -0.005 1
1 1357 . 19 1 1 A 110 110 ASN C C 110 174.829 175.246 -0.417 1
1 1358 . 19 1 1 A 110 110 ASN CA C 110 53.104 54.507 -1.403 1
1 1359 . 19 1 1 A 110 110 ASN CB C 110 39.813 41.198 -1.385 1
1 1360 . 19 1 1 A 110 110 ASN N N 110 122.861 122.210 0.651 1
1 1362 . 19 1 1 A 111 111 THR H H 111 8.159 7.219 0.940 1
1 1363 . 19 1 1 A 111 111 THR HA H 111 4.407 4.520 -0.113 1
1 1368 . 19 1 1 A 111 111 THR C C 111 174.189 174.251 -0.062 1
1 1369 . 19 1 1 A 111 111 THR CA C 111 61.900 60.660 1.240 1
1 1370 . 19 1 1 A 111 111 THR CB C 111 69.400 70.962 -1.562 1
1 1372 . 19 1 1 A 111 111 THR N N 111 114.879 109.623 5.256 1
1 1373 . 19 1 1 A 112 112 ASN H H 112 8.359 8.831 -0.472 1
1 1374 . 19 1 1 A 112 112 ASN N N 112 121.000 117.403 3.597 1
1 1375 . 19 1 1 A 117 117 SER C C 117 174.242 173.461 0.781 1
1 1376 . 19 1 1 A 117 117 SER CA C 117 58.557 58.653 -0.096 1
1 1377 . 19 1 1 A 117 117 SER CB C 117 63.729 64.322 -0.593 1
1 1378 . 19 1 1 A 118 118 GLN H H 118 8.304 7.851 0.453 1
1 1379 . 19 1 1 A 118 118 GLN C C 118 174.889 174.063 0.826 1
1 1380 . 19 1 1 A 118 118 GLN CA C 118 55.764 53.730 2.034 1
1 1381 . 19 1 1 A 118 118 GLN CB C 118 29.659 32.372 -2.713 1
1 1382 . 19 1 1 A 118 118 GLN N N 118 122.171 118.160 4.011 1
1 1 . 20 1 1 A 2 2 ALA HA H 2 4.298 4.618 -0.320 1
1 5 . 20 1 1 A 2 2 ALA CA C 2 53.448 52.349 1.099 1
1 6 . 20 1 1 A 2 2 ALA CB C 2 19.236 21.470 -2.234 1
1 7 . 20 1 1 A 3 3 MET H H 3 8.518 7.794 0.724 1
1 12 . 20 1 1 A 3 3 MET N N 3 117.762 115.208 2.554 1
1 13 . 20 1 1 A 4 4 ASP CA C 4 54.632 54.267 0.365 1
1 14 . 20 1 1 A 4 4 ASP CB C 4 41.102 42.377 -1.275 1
1 15 . 20 1 1 A 5 5 ASN H H 5 8.332 8.785 -0.453 1
1 18 . 20 1 1 A 5 5 ASN CA C 5 53.361 53.812 -0.451 1
1 19 . 20 1 1 A 5 5 ASN CB C 5 38.775 38.301 0.474 1
1 20 . 20 1 1 A 5 5 ASN N N 5 118.200 124.804 -6.604 1
1 22 . 20 1 1 A 6 6 VAL H H 6 7.939 8.654 -0.715 1
1 23 . 20 1 1 A 6 6 VAL HA H 6 4.142 4.291 -0.149 1
1 31 . 20 1 1 A 6 6 VAL CA C 6 62.634 62.535 0.099 1
1 32 . 20 1 1 A 6 6 VAL CB C 6 32.598 32.437 0.161 1
1 35 . 20 1 1 A 6 6 VAL N N 6 120.396 125.335 -4.939 1
1 36 . 20 1 1 A 7 7 CYS H H 7 8.304 8.499 -0.195 1
1 37 . 20 1 1 A 7 7 CYS CA C 7 56.095 62.100 -6.005 1
1 38 . 20 1 1 A 7 7 CYS CB C 7 32.967 27.876 5.091 1
1 39 . 20 1 1 A 7 7 CYS N N 7 124.774 123.629 1.145 1
1 40 . 20 1 1 A 9 9 PRO HA H 9 4.547 4.664 -0.117 1
1 46 . 20 1 1 A 9 9 PRO C C 9 176.493 176.389 0.104 1
1 47 . 20 1 1 A 9 9 PRO CA C 9 63.142 62.715 0.427 1
1 48 . 20 1 1 A 9 9 PRO CB C 9 32.554 33.318 -0.764 1
1 51 . 20 1 1 A 10 10 THR H H 10 8.368 8.703 -0.335 1
1 52 . 20 1 1 A 10 10 THR HA H 10 4.418 4.458 -0.040 1
1 57 . 20 1 1 A 10 10 THR C C 10 172.743 173.468 -0.725 1
1 58 . 20 1 1 A 10 10 THR CA C 10 61.197 62.903 -1.706 1
1 59 . 20 1 1 A 10 10 THR CB C 10 69.660 71.194 -1.534 1
1 61 . 20 1 1 A 10 10 THR N N 10 112.513 114.756 -2.243 1
1 62 . 20 1 1 A 11 11 GLU H H 11 7.813 7.969 -0.156 1
1 63 . 20 1 1 A 11 11 GLU HA H 11 5.549 4.983 0.566 1
1 68 . 20 1 1 A 11 11 GLU C C 11 173.062 174.076 -1.014 1
1 69 . 20 1 1 A 11 11 GLU CA C 11 53.855 55.558 -1.703 1
1 70 . 20 1 1 A 11 11 GLU CB C 11 33.820 32.790 1.030 1
1 72 . 20 1 1 A 11 11 GLU N N 11 119.491 116.228 3.263 1
1 73 . 20 1 1 A 12 12 PHE H H 12 8.198 8.758 -0.560 1
1 74 . 20 1 1 A 12 12 PHE HA H 12 5.014 5.921 -0.907 1
1 82 . 20 1 1 A 12 12 PHE C C 12 171.976 173.849 -1.873 1
1 83 . 20 1 1 A 12 12 PHE CA C 12 55.597 55.323 0.274 1
1 84 . 20 1 1 A 12 12 PHE CB C 12 42.384 41.926 0.458 1
1 90 . 20 1 1 A 12 12 PHE N N 12 111.146 117.854 -6.708 1
1 91 . 20 1 1 A 13 13 ILE H H 13 8.655 8.528 0.127 1
1 92 . 20 1 1 A 13 13 ILE HA H 13 4.165 4.463 -0.298 1
1 102 . 20 1 1 A 13 13 ILE C C 13 173.432 174.929 -1.497 1
1 103 . 20 1 1 A 13 13 ILE CA C 13 62.270 61.749 0.521 1
1 104 . 20 1 1 A 13 13 ILE CB C 13 39.957 36.890 3.067 1
1 108 . 20 1 1 A 13 13 ILE N N 13 121.427 124.663 -3.236 1
1 109 . 20 1 1 A 14 14 SER H H 14 8.034 8.944 -0.910 1
1 110 . 20 1 1 A 14 14 SER HA H 14 5.588 5.159 0.429 1
1 113 . 20 1 1 A 14 14 SER C C 14 173.429 173.614 -0.185 1
1 114 . 20 1 1 A 14 14 SER CA C 14 56.650 56.511 0.139 1
1 115 . 20 1 1 A 14 14 SER CB C 14 70.177 64.965 5.212 1
1 116 . 20 1 1 A 14 14 SER N N 14 121.358 123.394 -2.036 1
1 117 . 20 1 1 A 15 15 ARG H H 15 9.545 8.856 0.689 1
1 118 . 20 1 1 A 15 15 ARG HA H 15 5.826 4.794 1.032 1
1 126 . 20 1 1 A 15 15 ARG C C 15 176.042 175.543 0.499 1
1 127 . 20 1 1 A 15 15 ARG CA C 15 55.105 55.590 -0.485 1
1 128 . 20 1 1 A 15 15 ARG CB C 15 35.587 32.668 2.919 1
1 131 . 20 1 1 A 15 15 ARG N N 15 118.317 126.942 -8.625 1
1 133 . 20 1 1 A 16 16 HIS H H 16 8.730 8.243 0.487 1
1 134 . 20 1 1 A 16 16 HIS HA H 16 5.555 5.474 0.081 1
1 141 . 20 1 1 A 16 16 HIS C C 16 174.062 173.033 1.029 1
1 142 . 20 1 1 A 16 16 HIS CA C 16 54.057 54.642 -0.585 1
1 143 . 20 1 1 A 16 16 HIS CB C 16 31.334 31.243 0.091 1
1 146 . 20 1 1 A 16 16 HIS N N 16 117.425 116.777 0.648 1
1 148 . 20 1 1 A 17 17 ASN H H 17 8.201 8.667 -0.466 1
1 149 . 20 1 1 A 17 17 ASN HA H 17 4.897 5.128 -0.231 1
1 154 . 20 1 1 A 17 17 ASN C C 17 178.263 175.651 2.612 1
1 155 . 20 1 1 A 17 17 ASN CA C 17 51.104 51.594 -0.490 1
1 156 . 20 1 1 A 17 17 ASN CB C 17 38.469 39.128 -0.659 1
1 157 . 20 1 1 A 17 17 ASN N N 17 116.276 117.902 -1.626 1
1 159 . 20 1 1 A 18 18 ILE H H 18 8.774 8.810 -0.036 1
1 160 . 20 1 1 A 18 18 ILE HA H 18 3.795 3.910 -0.115 1
1 170 . 20 1 1 A 18 18 ILE C C 18 174.851 177.743 -2.892 1
1 171 . 20 1 1 A 18 18 ILE CA C 18 64.399 64.108 0.291 1
1 172 . 20 1 1 A 18 18 ILE CB C 18 38.072 37.867 0.205 1
1 176 . 20 1 1 A 18 18 ILE N N 18 120.001 120.207 -0.206 1
1 177 . 20 1 1 A 19 19 GLU H H 19 7.213 7.847 -0.634 1
1 178 . 20 1 1 A 19 19 GLU HA H 19 4.225 4.117 0.108 1
1 183 . 20 1 1 A 19 19 GLU CA C 19 57.145 56.814 0.331 1
1 184 . 20 1 1 A 19 19 GLU CB C 19 29.878 29.792 0.086 1
1 186 . 20 1 1 A 19 19 GLU N N 19 116.538 119.915 -3.377 1
1 187 . 20 1 1 A 20 20 GLY H H 20 7.845 7.839 0.006 1
1 188 . 20 1 1 A 20 20 GLY HA2 H 20 4.878 2.770 2.108 1
1 189 . 20 1 1 A 20 20 GLY HA3 H 20 2.886 3.634 -0.748 1
1 190 . 20 1 1 A 20 20 GLY C C 20 172.992 174.071 -1.079 1
1 191 . 20 1 1 A 20 20 GLY CA C 20 44.049 44.279 -0.230 1
1 192 . 20 1 1 A 20 20 GLY N N 20 104.883 106.139 -1.256 1
1 193 . 20 1 1 A 21 21 ILE H H 21 7.841 7.564 0.277 1
1 194 . 20 1 1 A 21 21 ILE HA H 21 3.995 4.077 -0.082 1
1 204 . 20 1 1 A 21 21 ILE C C 21 176.915 175.372 1.543 1
1 205 . 20 1 1 A 21 21 ILE CA C 21 60.302 61.665 -1.363 1
1 206 . 20 1 1 A 21 21 ILE CB C 21 36.111 38.005 -1.894 1
1 210 . 20 1 1 A 21 21 ILE N N 21 120.855 122.702 -1.847 1
1 211 . 20 1 1 A 22 22 PHE H H 22 8.896 8.588 0.308 1
1 212 . 20 1 1 A 22 22 PHE HA H 22 5.052 5.029 0.023 1
1 220 . 20 1 1 A 22 22 PHE C C 22 177.971 176.252 1.719 1
1 221 . 20 1 1 A 22 22 PHE CA C 22 59.625 59.011 0.614 1
1 222 . 20 1 1 A 22 22 PHE CB C 22 39.984 39.117 0.867 1
1 228 . 20 1 1 A 22 22 PHE N N 22 125.849 128.559 -2.710 1
1 229 . 20 1 1 A 23 23 THR H H 23 9.771 8.894 0.877 1
1 230 . 20 1 1 A 23 23 THR HA H 23 4.403 4.479 -0.076 1
1 235 . 20 1 1 A 23 23 THR C C 23 175.589 174.510 1.079 1
1 236 . 20 1 1 A 23 23 THR CA C 23 61.611 62.237 -0.626 1
1 237 . 20 1 1 A 23 23 THR CB C 23 69.193 69.147 0.046 1
1 239 . 20 1 1 A 23 23 THR N N 23 117.677 115.516 2.161 1
1 240 . 20 1 1 A 24 24 PHE H H 24 7.948 7.410 0.538 1
1 241 . 20 1 1 A 24 24 PHE HA H 24 4.483 4.789 -0.306 1
1 249 . 20 1 1 A 24 24 PHE C C 24 173.376 173.313 0.063 1
1 250 . 20 1 1 A 24 24 PHE CA C 24 59.142 58.279 0.863 1
1 251 . 20 1 1 A 24 24 PHE CB C 24 42.161 42.366 -0.205 1
1 257 . 20 1 1 A 24 24 PHE N N 24 123.378 121.205 2.173 1
1 258 . 20 1 1 A 25 25 VAL H H 25 7.340 7.366 -0.026 1
1 259 . 20 1 1 A 25 25 VAL HA H 25 4.166 4.334 -0.168 1
1 267 . 20 1 1 A 25 25 VAL C C 25 173.103 173.588 -0.485 1
1 268 . 20 1 1 A 25 25 VAL CA C 25 61.539 60.409 1.130 1
1 269 . 20 1 1 A 25 25 VAL CB C 25 35.683 35.079 0.604 1
1 272 . 20 1 1 A 25 25 VAL N N 25 124.777 123.547 1.230 1
1 273 . 20 1 1 A 26 26 ASP H H 26 7.942 8.450 -0.508 1
1 274 . 20 1 1 A 26 26 ASP HA H 26 4.466 4.521 -0.055 1
1 277 . 20 1 1 A 26 26 ASP C C 26 175.258 177.262 -2.004 1
1 278 . 20 1 1 A 26 26 ASP CA C 26 53.318 54.364 -1.046 1
1 279 . 20 1 1 A 26 26 ASP CB C 26 42.461 42.293 0.168 1
1 280 . 20 1 1 A 26 26 ASP N N 26 125.573 126.525 -0.952 1
1 281 . 20 1 1 A 27 27 HIS H H 27 8.115 8.894 -0.779 1
1 282 . 20 1 1 A 27 27 HIS HA H 27 4.222 4.113 0.109 1
1 286 . 20 1 1 A 27 27 HIS C C 27 177.268 176.493 0.775 1
1 287 . 20 1 1 A 27 27 HIS CA C 27 59.164 58.739 0.425 1
1 288 . 20 1 1 A 27 27 HIS CB C 27 30.374 29.243 1.131 1
1 290 . 20 1 1 A 27 27 HIS N N 27 117.576 123.530 -5.954 1
1 291 . 20 1 1 A 28 28 ARG H H 28 8.724 8.002 0.722 1
1 292 . 20 1 1 A 28 28 ARG HA H 28 4.210 3.685 0.525 1
1 300 . 20 1 1 A 28 28 ARG C C 28 177.838 179.072 -1.234 1
1 301 . 20 1 1 A 28 28 ARG CA C 28 58.199 59.182 -0.983 1
1 302 . 20 1 1 A 28 28 ARG CB C 28 29.815 29.439 0.376 1
1 305 . 20 1 1 A 28 28 ARG N N 28 122.414 120.523 1.891 1
1 307 . 20 1 1 A 29 29 CYS H H 29 8.102 8.191 -0.089 1
1 308 . 20 1 1 A 29 29 CYS HA H 29 3.124 3.146 -0.022 1
1 311 . 20 1 1 A 29 29 CYS C C 29 175.551 177.005 -1.454 1
1 312 . 20 1 1 A 29 29 CYS CA C 29 59.988 60.874 -0.886 1
1 313 . 20 1 1 A 29 29 CYS CB C 29 25.101 26.257 -1.156 1
1 314 . 20 1 1 A 29 29 CYS N N 29 119.987 117.435 2.552 1
1 315 . 20 1 1 A 30 30 VAL H H 30 7.139 7.094 0.045 1
1 316 . 20 1 1 A 30 30 VAL HA H 30 3.373 3.680 -0.307 1
1 324 . 20 1 1 A 30 30 VAL C C 30 178.225 177.992 0.233 1
1 325 . 20 1 1 A 30 30 VAL CA C 30 65.903 64.452 1.451 1
1 326 . 20 1 1 A 30 30 VAL CB C 30 31.446 31.499 -0.053 1
1 329 . 20 1 1 A 30 30 VAL N N 30 125.016 119.326 5.690 1
1 330 . 20 1 1 A 31 31 ALA H H 31 7.393 7.689 -0.296 1
1 331 . 20 1 1 A 31 31 ALA HA H 31 4.126 4.115 0.011 1
1 335 . 20 1 1 A 31 31 ALA C C 31 178.111 180.050 -1.939 1
1 336 . 20 1 1 A 31 31 ALA CA C 31 53.715 54.859 -1.144 1
1 337 . 20 1 1 A 31 31 ALA CB C 31 19.223 18.480 0.743 1
1 338 . 20 1 1 A 31 31 ALA N N 31 120.554 124.204 -3.650 1
1 339 . 20 1 1 A 32 32 THR H H 32 7.253 7.877 -0.624 1
1 340 . 20 1 1 A 32 32 THR HA H 32 4.116 4.009 0.107 1
1 345 . 20 1 1 A 32 32 THR C C 32 175.655 175.944 -0.289 1
1 346 . 20 1 1 A 32 32 THR CA C 32 64.727 66.234 -1.507 1
1 347 . 20 1 1 A 32 32 THR CB C 32 69.144 69.125 0.019 1
1 349 . 20 1 1 A 32 32 THR N N 32 109.150 114.302 -5.152 1
1 350 . 20 1 1 A 33 33 VAL H H 33 7.939 7.630 0.309 1
1 351 . 20 1 1 A 33 33 VAL HA H 33 4.504 4.582 -0.078 1
1 359 . 20 1 1 A 33 33 VAL C C 33 175.594 176.378 -0.784 1
1 360 . 20 1 1 A 33 33 VAL CA C 33 60.596 60.487 0.109 1
1 361 . 20 1 1 A 33 33 VAL CB C 33 34.900 31.413 3.487 1
1 364 . 20 1 1 A 33 33 VAL N N 33 108.519 113.115 -4.596 1
1 365 . 20 1 1 A 34 34 GLY H H 34 7.439 7.833 -0.394 1
1 366 . 20 1 1 A 34 34 GLY HA2 H 34 4.099 3.690 0.409 1
1 367 . 20 1 1 A 34 34 GLY HA3 H 34 3.846 3.792 0.054 1
1 368 . 20 1 1 A 34 34 GLY C C 34 173.655 173.572 0.083 1
1 369 . 20 1 1 A 34 34 GLY CA C 34 46.538 45.365 1.173 1
1 370 . 20 1 1 A 34 34 GLY N N 34 109.672 110.208 -0.536 1
1 371 . 20 1 1 A 35 35 TYR H H 35 6.215 7.564 -1.349 1
1 372 . 20 1 1 A 35 35 TYR HA H 35 4.415 4.884 -0.469 1
1 379 . 20 1 1 A 35 35 TYR C C 35 174.492 175.306 -0.814 1
1 380 . 20 1 1 A 35 35 TYR CA C 35 57.289 58.880 -1.591 1
1 381 . 20 1 1 A 35 35 TYR CB C 35 40.784 38.008 2.776 1
1 386 . 20 1 1 A 35 35 TYR N N 35 117.067 119.983 -2.916 1
1 387 . 20 1 1 A 36 36 GLN H H 36 9.145 8.498 0.647 1
1 388 . 20 1 1 A 36 36 GLN HA H 36 4.285 4.239 0.046 1
1 393 . 20 1 1 A 36 36 GLN CA C 36 53.760 54.657 -0.897 1
1 394 . 20 1 1 A 36 36 GLN CB C 36 27.558 28.425 -0.867 1
1 396 . 20 1 1 A 36 36 GLN N N 36 117.664 123.963 -6.299 1
1 397 . 20 1 1 A 37 37 PRO HA H 37 3.755 4.039 -0.284 1
1 404 . 20 1 1 A 37 37 PRO C C 37 178.629 178.147 0.482 1
1 405 . 20 1 1 A 37 37 PRO CA C 37 66.415 65.777 0.638 1
1 406 . 20 1 1 A 37 37 PRO CB C 37 31.313 31.642 -0.329 1
1 409 . 20 1 1 A 38 38 GLN H H 38 8.870 8.794 0.076 1
1 410 . 20 1 1 A 38 38 GLN HA H 38 3.996 4.060 -0.064 1
1 415 . 20 1 1 A 38 38 GLN C C 38 177.121 177.654 -0.533 1
1 416 . 20 1 1 A 38 38 GLN CA C 38 58.468 58.923 -0.455 1
1 417 . 20 1 1 A 38 38 GLN CB C 38 27.259 27.684 -0.425 1
1 419 . 20 1 1 A 38 38 GLN N N 38 113.031 115.361 -2.330 1
1 420 . 20 1 1 A 39 39 GLU H H 39 7.799 7.972 -0.173 1
1 421 . 20 1 1 A 39 39 GLU HA H 39 4.203 4.227 -0.024 1
1 426 . 20 1 1 A 39 39 GLU C C 39 175.485 177.133 -1.648 1
1 427 . 20 1 1 A 39 39 GLU CA C 39 57.598 58.492 -0.894 1
1 428 . 20 1 1 A 39 39 GLU CB C 39 30.955 29.583 1.372 1
1 430 . 20 1 1 A 39 39 GLU N N 39 117.366 119.501 -2.135 1
1 431 . 20 1 1 A 40 40 LEU H H 40 7.001 7.319 -0.318 1
1 432 . 20 1 1 A 40 40 LEU HA H 40 4.205 4.502 -0.297 1
1 442 . 20 1 1 A 40 40 LEU C C 40 176.417 177.278 -0.861 1
1 443 . 20 1 1 A 40 40 LEU CA C 40 55.345 55.580 -0.235 1
1 444 . 20 1 1 A 40 40 LEU CB C 40 43.190 43.526 -0.336 1
1 448 . 20 1 1 A 40 40 LEU N N 40 116.615 118.657 -2.042 1
1 449 . 20 1 1 A 41 41 LEU H H 41 7.521 7.946 -0.425 1
1 450 . 20 1 1 A 41 41 LEU HA H 41 3.678 4.285 -0.607 1
1 460 . 20 1 1 A 41 41 LEU C C 41 177.754 177.960 -0.206 1
1 461 . 20 1 1 A 41 41 LEU CA C 41 57.050 57.307 -0.257 1
1 462 . 20 1 1 A 41 41 LEU CB C 41 42.155 41.632 0.523 1
1 466 . 20 1 1 A 41 41 LEU N N 41 117.814 121.212 -3.398 1
1 467 . 20 1 1 A 42 42 GLY H H 42 8.535 9.285 -0.750 1
1 468 . 20 1 1 A 42 42 GLY HA2 H 42 4.328 4.009 0.319 1
1 469 . 20 1 1 A 42 42 GLY HA3 H 42 3.601 4.010 -0.409 1
1 470 . 20 1 1 A 42 42 GLY C C 42 173.808 173.736 0.072 1
1 471 . 20 1 1 A 42 42 GLY CA C 42 45.689 45.371 0.318 1
1 472 . 20 1 1 A 42 42 GLY N N 42 110.496 111.958 -1.462 1
1 473 . 20 1 1 A 43 43 LYS H H 43 8.398 8.154 0.244 1
1 474 . 20 1 1 A 43 43 LYS HA H 43 4.680 4.597 0.083 1
1 483 . 20 1 1 A 43 43 LYS C C 43 173.943 175.502 -1.559 1
1 484 . 20 1 1 A 43 43 LYS CA C 43 54.361 54.654 -0.293 1
1 485 . 20 1 1 A 43 43 LYS CB C 43 33.960 34.183 -0.223 1
1 489 . 20 1 1 A 43 43 LYS N N 43 120.461 120.781 -0.320 1
1 490 . 20 1 1 A 44 44 ASN H H 44 8.892 8.243 0.649 1
1 491 . 20 1 1 A 44 44 ASN HA H 44 4.690 4.604 0.086 1
1 496 . 20 1 1 A 44 44 ASN C C 44 176.922 175.662 1.260 1
1 497 . 20 1 1 A 44 44 ASN CA C 44 52.256 53.218 -0.962 1
1 498 . 20 1 1 A 44 44 ASN CB C 44 40.451 39.571 0.880 1
1 499 . 20 1 1 A 44 44 ASN N N 44 119.869 121.836 -1.967 1
1 501 . 20 1 1 A 45 45 ILE H H 45 8.543 8.235 0.308 1
1 502 . 20 1 1 A 45 45 ILE HA H 45 3.887 3.662 0.225 1
1 511 . 20 1 1 A 45 45 ILE C C 45 176.137 177.040 -0.903 1
1 512 . 20 1 1 A 45 45 ILE CA C 45 65.116 64.136 0.980 1
1 513 . 20 1 1 A 45 45 ILE CB C 45 36.637 37.524 -0.887 1
1 517 . 20 1 1 A 45 45 ILE N N 45 129.131 127.307 1.824 1
1 518 . 20 1 1 A 46 46 VAL H H 46 9.059 7.334 1.725 1
1 519 . 20 1 1 A 46 46 VAL HA H 46 3.439 3.751 -0.312 1
1 527 . 20 1 1 A 46 46 VAL C C 46 178.407 178.234 0.173 1
1 528 . 20 1 1 A 46 46 VAL CA C 46 65.705 65.372 0.333 1
1 529 . 20 1 1 A 46 46 VAL CB C 46 31.022 31.185 -0.163 1
1 532 . 20 1 1 A 46 46 VAL N N 46 118.981 117.477 1.504 1
1 533 . 20 1 1 A 47 47 GLU H H 47 7.923 8.331 -0.408 1
1 534 . 20 1 1 A 47 47 GLU HA H 47 3.989 3.917 0.072 1
1 539 . 20 1 1 A 47 47 GLU C C 47 177.664 178.258 -0.594 1
1 540 . 20 1 1 A 47 47 GLU CA C 47 57.999 59.004 -1.005 1
1 541 . 20 1 1 A 47 47 GLU CB C 47 28.849 28.918 -0.069 1
1 543 . 20 1 1 A 47 47 GLU N N 47 117.733 121.472 -3.739 1
1 544 . 20 1 1 A 48 48 PHE H H 48 7.689 7.446 0.243 1
1 545 . 20 1 1 A 48 48 PHE HA H 48 4.177 4.244 -0.067 1
1 553 . 20 1 1 A 48 48 PHE C C 48 172.739 175.775 -3.036 1
1 554 . 20 1 1 A 48 48 PHE CA C 48 57.725 59.608 -1.883 1
1 555 . 20 1 1 A 48 48 PHE CB C 48 39.428 39.471 -0.043 1
1 561 . 20 1 1 A 48 48 PHE N N 48 117.768 115.093 2.675 1
1 562 . 20 1 1 A 49 49 CYS H H 49 7.413 7.368 0.045 1
1 563 . 20 1 1 A 49 49 CYS HA H 49 5.671 5.018 0.653 1
1 566 . 20 1 1 A 49 49 CYS CA C 49 56.429 59.965 -3.536 1
1 567 . 20 1 1 A 49 49 CYS CB C 49 28.747 28.174 0.573 1
1 568 . 20 1 1 A 49 49 CYS N N 49 119.705 118.397 1.308 1
1 569 . 20 1 1 A 50 50 HIS H H 50 8.640 8.517 0.123 1
1 570 . 20 1 1 A 50 50 HIS HA H 50 3.655 4.089 -0.434 1
1 574 . 20 1 1 A 50 50 HIS CA C 50 56.934 54.812 2.122 1
1 575 . 20 1 1 A 50 50 HIS CB C 50 32.071 30.384 1.687 1
1 577 . 20 1 1 A 50 50 HIS N N 50 134.180 124.319 9.861 1
1 578 . 20 1 1 A 51 51 PRO HA H 51 4.044 4.167 -0.123 1
1 584 . 20 1 1 A 51 51 PRO C C 51 179.121 178.929 0.192 1
1 585 . 20 1 1 A 51 51 PRO CA C 51 65.989 66.106 -0.117 1
1 586 . 20 1 1 A 51 51 PRO CB C 51 32.605 31.566 1.039 1
1 589 . 20 1 1 A 52 52 GLU H H 52 10.986 8.915 2.071 1
1 590 . 20 1 1 A 52 52 GLU HA H 52 4.125 4.112 0.013 1
1 595 . 20 1 1 A 52 52 GLU C C 52 177.643 177.237 0.406 1
1 596 . 20 1 1 A 52 52 GLU CA C 52 58.522 58.959 -0.437 1
1 597 . 20 1 1 A 52 52 GLU CB C 52 29.347 28.887 0.460 1
1 599 . 20 1 1 A 52 52 GLU N N 52 119.351 117.766 1.585 1
1 600 . 20 1 1 A 53 53 ASP H H 53 8.203 8.116 0.087 1
1 601 . 20 1 1 A 53 53 ASP HA H 53 4.898 4.620 0.278 1
1 604 . 20 1 1 A 53 53 ASP C C 53 175.641 177.213 -1.572 1
1 605 . 20 1 1 A 53 53 ASP CA C 53 54.092 54.832 -0.740 1
1 606 . 20 1 1 A 53 53 ASP CB C 53 43.596 41.717 1.879 1
1 607 . 20 1 1 A 53 53 ASP N N 53 117.757 117.789 -0.032 1
1 608 . 20 1 1 A 54 54 GLN H H 54 6.922 8.004 -1.082 1
1 609 . 20 1 1 A 54 54 GLN HA H 54 3.985 3.954 0.031 1
1 616 . 20 1 1 A 54 54 GLN C C 54 177.417 178.755 -1.338 1
1 617 . 20 1 1 A 54 54 GLN CA C 54 60.084 58.976 1.108 1
1 618 . 20 1 1 A 54 54 GLN CB C 54 28.448 28.281 0.167 1
1 620 . 20 1 1 A 54 54 GLN N N 54 118.680 119.496 -0.816 1
1 622 . 20 1 1 A 55 55 GLN H H 55 8.663 7.959 0.704 1
1 623 . 20 1 1 A 55 55 GLN HA H 55 3.778 4.045 -0.267 1
1 630 . 20 1 1 A 55 55 GLN C C 55 177.398 178.149 -0.751 1
1 631 . 20 1 1 A 55 55 GLN CA C 55 58.812 58.493 0.319 1
1 632 . 20 1 1 A 55 55 GLN CB C 55 27.402 28.837 -1.435 1
1 634 . 20 1 1 A 55 55 GLN N N 55 119.173 120.046 -0.873 1
1 636 . 20 1 1 A 56 56 LEU H H 56 7.935 7.685 0.250 1
1 637 . 20 1 1 A 56 56 LEU HA H 56 4.071 4.085 -0.014 1
1 647 . 20 1 1 A 56 56 LEU C C 56 180.037 178.025 2.012 1
1 648 . 20 1 1 A 56 56 LEU CA C 56 57.698 57.425 0.273 1
1 649 . 20 1 1 A 56 56 LEU CB C 56 41.586 42.244 -0.658 1
1 653 . 20 1 1 A 56 56 LEU N N 56 119.661 120.604 -0.943 1
1 654 . 20 1 1 A 57 57 LEU H H 57 7.382 7.897 -0.515 1
1 655 . 20 1 1 A 57 57 LEU HA H 57 3.575 3.613 -0.038 1
1 665 . 20 1 1 A 57 57 LEU C C 57 178.470 178.196 0.274 1
1 666 . 20 1 1 A 57 57 LEU CA C 57 57.703 58.112 -0.409 1
1 667 . 20 1 1 A 57 57 LEU CB C 57 42.077 41.530 0.547 1
1 671 . 20 1 1 A 57 57 LEU N N 57 119.857 119.917 -0.060 1
1 672 . 20 1 1 A 58 58 ARG H H 58 8.118 8.648 -0.530 1
1 673 . 20 1 1 A 58 58 ARG HA H 58 3.338 3.851 -0.513 1
1 680 . 20 1 1 A 58 58 ARG C C 58 179.713 178.703 1.010 1
1 681 . 20 1 1 A 58 58 ARG CA C 58 60.120 59.864 0.256 1
1 682 . 20 1 1 A 58 58 ARG CB C 58 30.320 29.846 0.474 1
1 685 . 20 1 1 A 58 58 ARG N N 58 118.198 117.959 0.239 1
1 686 . 20 1 1 A 59 59 ASP H H 59 8.748 7.982 0.766 1
1 687 . 20 1 1 A 59 59 ASP HA H 59 4.336 4.262 0.074 1
1 690 . 20 1 1 A 59 59 ASP C C 59 179.130 177.660 1.470 1
1 691 . 20 1 1 A 59 59 ASP CA C 59 57.197 57.555 -0.358 1
1 692 . 20 1 1 A 59 59 ASP CB C 59 40.212 41.826 -1.614 1
1 693 . 20 1 1 A 59 59 ASP N N 59 119.165 119.893 -0.728 1
1 694 . 20 1 1 A 60 60 SER H H 60 7.552 7.910 -0.358 1
1 695 . 20 1 1 A 60 60 SER HA H 60 4.116 4.018 0.098 1
1 698 . 20 1 1 A 60 60 SER C C 60 175.883 177.654 -1.771 1
1 699 . 20 1 1 A 60 60 SER CA C 60 61.975 61.286 0.689 1
1 700 . 20 1 1 A 60 60 SER CB C 60 63.098 62.498 0.600 1
1 701 . 20 1 1 A 60 60 SER N N 60 117.761 113.963 3.798 1
1 702 . 20 1 1 A 61 61 PHE H H 61 7.063 7.473 -0.410 1
1 703 . 20 1 1 A 61 61 PHE HA H 61 4.614 4.389 0.225 1
1 711 . 20 1 1 A 61 61 PHE C C 61 177.561 178.446 -0.885 1
1 712 . 20 1 1 A 61 61 PHE CA C 61 56.777 61.649 -4.872 1
1 713 . 20 1 1 A 61 61 PHE CB C 61 36.564 38.328 -1.764 1
1 719 . 20 1 1 A 61 61 PHE N N 61 122.009 119.561 2.448 1
1 720 . 20 1 1 A 62 62 GLN H H 62 7.376 8.455 -1.079 1
1 721 . 20 1 1 A 62 62 GLN HA H 62 4.038 4.005 0.033 1
1 726 . 20 1 1 A 62 62 GLN C C 62 179.093 178.919 0.174 1
1 727 . 20 1 1 A 62 62 GLN CA C 62 58.240 59.302 -1.062 1
1 728 . 20 1 1 A 62 62 GLN CB C 62 28.094 28.319 -0.225 1
1 730 . 20 1 1 A 62 62 GLN N N 62 114.929 118.231 -3.302 1
1 731 . 20 1 1 A 63 63 GLN H H 63 7.893 7.824 0.069 1
1 732 . 20 1 1 A 63 63 GLN HA H 63 4.083 4.198 -0.115 1
1 737 . 20 1 1 A 63 63 GLN C C 63 178.244 178.525 -0.281 1
1 738 . 20 1 1 A 63 63 GLN CA C 63 58.408 58.226 0.182 1
1 739 . 20 1 1 A 63 63 GLN CB C 63 28.755 28.626 0.129 1
1 741 . 20 1 1 A 63 63 GLN N N 63 117.434 120.075 -2.641 1
1 742 . 20 1 1 A 64 64 VAL H H 64 8.220 8.173 0.047 1
1 743 . 20 1 1 A 64 64 VAL HA H 64 3.663 4.124 -0.461 1
1 751 . 20 1 1 A 64 64 VAL C C 64 177.137 178.076 -0.939 1
1 752 . 20 1 1 A 64 64 VAL CA C 64 66.107 65.648 0.459 1
1 753 . 20 1 1 A 64 64 VAL CB C 64 31.475 31.532 -0.057 1
1 756 . 20 1 1 A 64 64 VAL N N 64 118.766 117.093 1.673 1
1 757 . 20 1 1 A 65 65 VAL H H 65 6.860 7.563 -0.703 1
1 758 . 20 1 1 A 65 65 VAL HA H 65 3.833 3.889 -0.056 1
1 766 . 20 1 1 A 65 65 VAL C C 65 177.624 178.020 -0.396 1
1 767 . 20 1 1 A 65 65 VAL CA C 65 64.200 64.802 -0.602 1
1 768 . 20 1 1 A 65 65 VAL CB C 65 31.730 31.871 -0.141 1
1 771 . 20 1 1 A 65 65 VAL N N 65 112.590 122.301 -9.711 1
1 772 . 20 1 1 A 66 66 LYS H H 66 7.431 7.847 -0.416 1
1 773 . 20 1 1 A 66 66 LYS HA H 66 4.184 3.985 0.199 1
1 782 . 20 1 1 A 66 66 LYS C C 66 177.374 178.200 -0.826 1
1 783 . 20 1 1 A 66 66 LYS CA C 66 58.190 59.697 -1.507 1
1 784 . 20 1 1 A 66 66 LYS CB C 66 33.232 32.412 0.820 1
1 788 . 20 1 1 A 66 66 LYS N N 66 119.643 122.056 -2.413 1
1 789 . 20 1 1 A 67 67 LEU H H 67 7.859 8.144 -0.285 1
1 790 . 20 1 1 A 67 67 LEU HA H 67 4.552 4.321 0.231 1
1 800 . 20 1 1 A 67 67 LEU C C 67 175.532 175.888 -0.356 1
1 801 . 20 1 1 A 67 67 LEU CA C 67 53.108 55.246 -2.138 1
1 802 . 20 1 1 A 67 67 LEU CB C 67 40.979 41.771 -0.792 1
1 806 . 20 1 1 A 67 67 LEU N N 67 121.288 118.034 3.254 1
1 807 . 20 1 1 A 68 68 LYS H H 68 7.475 8.147 -0.672 1
1 808 . 20 1 1 A 68 68 LYS HA H 68 4.156 3.959 0.197 1
1 817 . 20 1 1 A 68 68 LYS C C 68 177.987 176.469 1.518 1
1 818 . 20 1 1 A 68 68 LYS CA C 68 58.388 57.364 1.024 1
1 819 . 20 1 1 A 68 68 LYS CB C 68 32.207 30.978 1.229 1
1 823 . 20 1 1 A 68 68 LYS N N 68 119.626 116.833 2.793 1
1 824 . 20 1 1 A 69 69 GLY H H 69 8.696 8.260 0.436 1
1 825 . 20 1 1 A 69 69 GLY HA2 H 69 4.294 4.056 0.238 1
1 826 . 20 1 1 A 69 69 GLY HA3 H 69 3.896 4.060 -0.164 1
1 827 . 20 1 1 A 69 69 GLY CA C 69 45.335 45.223 0.112 1
1 828 . 20 1 1 A 69 69 GLY N N 69 113.681 104.670 9.011 1
1 829 . 20 1 1 A 70 70 GLN H H 70 8.031 7.937 0.094 1
1 830 . 20 1 1 A 70 70 GLN HA H 70 4.508 4.264 0.244 1
1 835 . 20 1 1 A 70 70 GLN C C 70 174.684 175.066 -0.382 1
1 836 . 20 1 1 A 70 70 GLN CA C 70 55.347 56.520 -1.173 1
1 837 . 20 1 1 A 70 70 GLN CB C 70 30.111 29.471 0.640 1
1 839 . 20 1 1 A 70 70 GLN N N 70 119.949 121.842 -1.893 1
1 840 . 20 1 1 A 71 71 VAL H H 71 8.232 8.457 -0.225 1
1 841 . 20 1 1 A 71 71 VAL HA H 71 4.822 4.652 0.170 1
1 849 . 20 1 1 A 71 71 VAL C C 71 176.406 175.012 1.394 1
1 850 . 20 1 1 A 71 71 VAL CA C 71 61.198 62.376 -1.178 1
1 851 . 20 1 1 A 71 71 VAL CB C 71 32.964 32.787 0.177 1
1 854 . 20 1 1 A 71 71 VAL N N 71 121.816 126.769 -4.953 1
1 855 . 20 1 1 A 72 72 LEU H H 72 9.052 9.377 -0.325 1
1 856 . 20 1 1 A 72 72 LEU HA H 72 4.827 5.221 -0.394 1
1 865 . 20 1 1 A 72 72 LEU C C 72 175.411 175.520 -0.109 1
1 866 . 20 1 1 A 72 72 LEU CA C 72 52.895 53.292 -0.397 1
1 867 . 20 1 1 A 72 72 LEU CB C 72 44.755 45.219 -0.464 1
1 870 . 20 1 1 A 72 72 LEU N N 72 130.331 130.309 0.022 1
1 871 . 20 1 1 A 73 73 SER H H 73 8.057 9.073 -1.016 1
1 872 . 20 1 1 A 73 73 SER HA H 73 5.211 5.725 -0.514 1
1 875 . 20 1 1 A 73 73 SER C C 73 174.562 173.046 1.516 1
1 876 . 20 1 1 A 73 73 SER CA C 73 56.591 56.741 -0.150 1
1 877 . 20 1 1 A 73 73 SER CB C 73 66.336 64.890 1.446 1
1 878 . 20 1 1 A 73 73 SER N N 73 113.040 119.020 -5.980 1
1 879 . 20 1 1 A 74 74 VAL H H 74 8.799 8.695 0.104 1
1 880 . 20 1 1 A 74 74 VAL HA H 74 4.705 4.991 -0.286 1
1 888 . 20 1 1 A 74 74 VAL C C 74 174.122 173.994 0.128 1
1 889 . 20 1 1 A 74 74 VAL CA C 74 59.403 59.556 -0.153 1
1 890 . 20 1 1 A 74 74 VAL CB C 74 35.474 35.755 -0.281 1
1 893 . 20 1 1 A 74 74 VAL N N 74 122.721 122.166 0.555 1
1 894 . 20 1 1 A 75 75 MET H H 75 8.195 8.817 -0.622 1
1 895 . 20 1 1 A 75 75 MET HA H 75 5.922 6.042 -0.120 1
1 903 . 20 1 1 A 75 75 MET C C 75 175.531 175.647 -0.116 1
1 904 . 20 1 1 A 75 75 MET CA C 75 54.021 54.061 -0.040 1
1 905 . 20 1 1 A 75 75 MET CB C 75 34.750 34.124 0.626 1
1 908 . 20 1 1 A 75 75 MET N N 75 120.057 123.699 -3.642 1
1 909 . 20 1 1 A 76 76 PHE H H 76 9.394 9.096 0.298 1
1 910 . 20 1 1 A 76 76 PHE HA H 76 5.004 5.107 -0.103 1
1 918 . 20 1 1 A 76 76 PHE C C 76 171.623 172.272 -0.649 1
1 919 . 20 1 1 A 76 76 PHE CA C 76 55.802 55.472 0.330 1
1 920 . 20 1 1 A 76 76 PHE CB C 76 42.072 41.858 0.214 1
1 926 . 20 1 1 A 76 76 PHE N N 76 120.244 119.969 0.275 1
1 927 . 20 1 1 A 77 77 ARG H H 77 8.783 8.205 0.578 1
1 928 . 20 1 1 A 77 77 ARG HA H 77 4.420 4.168 0.252 1
1 936 . 20 1 1 A 77 77 ARG C C 77 173.455 174.677 -1.222 1
1 937 . 20 1 1 A 77 77 ARG CA C 77 54.218 55.023 -0.805 1
1 938 . 20 1 1 A 77 77 ARG CB C 77 32.439 30.194 2.245 1
1 941 . 20 1 1 A 77 77 ARG N N 77 121.379 118.965 2.414 1
1 943 . 20 1 1 A 78 78 PHE H H 78 9.258 9.175 0.083 1
1 944 . 20 1 1 A 78 78 PHE HA H 78 5.438 5.122 0.316 1
1 952 . 20 1 1 A 78 78 PHE C C 78 175.873 174.453 1.420 1
1 953 . 20 1 1 A 78 78 PHE CA C 78 55.173 56.728 -1.555 1
1 954 . 20 1 1 A 78 78 PHE CB C 78 44.530 39.722 4.808 1
1 960 . 20 1 1 A 78 78 PHE N N 78 128.097 126.298 1.799 1
1 961 . 20 1 1 A 79 79 ARG H H 79 9.242 8.930 0.312 1
1 962 . 20 1 1 A 79 79 ARG HA H 79 4.201 4.649 -0.448 1
1 969 . 20 1 1 A 79 79 ARG C C 79 175.316 176.397 -1.081 1
1 970 . 20 1 1 A 79 79 ARG CA C 79 55.255 56.558 -1.303 1
1 971 . 20 1 1 A 79 79 ARG CB C 79 29.358 30.449 -1.091 1
1 974 . 20 1 1 A 79 79 ARG N N 79 129.898 130.473 -0.575 1
1 975 . 20 1 1 A 80 80 SER H H 80 9.253 8.738 0.515 1
1 976 . 20 1 1 A 80 80 SER HA H 80 4.772 5.106 -0.334 1
1 979 . 20 1 1 A 80 80 SER C C 80 174.983 175.829 -0.846 1
1 980 . 20 1 1 A 80 80 SER CA C 80 58.191 58.137 0.054 1
1 981 . 20 1 1 A 80 80 SER CB C 80 64.930 64.635 0.295 1
1 982 . 20 1 1 A 80 80 SER N N 80 128.002 123.971 4.031 1
1 983 . 20 1 1 A 81 81 LYS H H 81 8.065 8.894 -0.829 1
1 984 . 20 1 1 A 81 81 LYS HA H 81 3.675 3.520 0.155 1
1 993 . 20 1 1 A 81 81 LYS C C 81 177.417 177.785 -0.368 1
1 994 . 20 1 1 A 81 81 LYS CA C 81 59.236 58.915 0.321 1
1 995 . 20 1 1 A 81 81 LYS CB C 81 31.641 31.885 -0.244 1
1 999 . 20 1 1 A 81 81 LYS N N 81 123.505 123.724 -0.219 1
1 1000 . 20 1 1 A 82 82 ASN H H 82 7.934 7.793 0.141 1
1 1001 . 20 1 1 A 82 82 ASN HA H 82 4.679 4.750 -0.071 1
1 1006 . 20 1 1 A 82 82 ASN C C 82 173.949 174.287 -0.338 1
1 1007 . 20 1 1 A 82 82 ASN CA C 82 52.764 52.733 0.031 1
1 1008 . 20 1 1 A 82 82 ASN CB C 82 37.428 38.464 -1.036 1
1 1009 . 20 1 1 A 82 82 ASN N N 82 115.202 114.321 0.881 1
1 1011 . 20 1 1 A 83 83 GLN H H 83 8.099 8.168 -0.069 1
1 1012 . 20 1 1 A 83 83 GLN HA H 83 3.382 3.765 -0.383 1
1 1019 . 20 1 1 A 83 83 GLN C C 83 174.208 173.958 0.250 1
1 1020 . 20 1 1 A 83 83 GLN CA C 83 56.400 56.821 -0.421 1
1 1021 . 20 1 1 A 83 83 GLN CB C 83 25.003 26.152 -1.149 1
1 1023 . 20 1 1 A 83 83 GLN N N 83 112.357 115.787 -3.430 1
1 1025 . 20 1 1 A 84 84 GLU H H 84 7.385 7.588 -0.203 1
1 1026 . 20 1 1 A 84 84 GLU HA H 84 4.322 4.688 -0.366 1
1 1031 . 20 1 1 A 84 84 GLU CA C 84 54.720 54.714 0.006 1
1 1032 . 20 1 1 A 84 84 GLU CB C 84 31.713 32.471 -0.758 1
1 1034 . 20 1 1 A 84 84 GLU N N 84 117.557 116.536 1.021 1
1 1035 . 20 1 1 A 85 85 TRP H H 85 8.645 8.700 -0.055 1
1 1036 . 20 1 1 A 85 85 TRP HA H 85 5.145 4.786 0.359 1
1 1045 . 20 1 1 A 85 85 TRP C C 85 175.772 175.742 0.030 1
1 1046 . 20 1 1 A 85 85 TRP CA C 85 55.591 57.232 -1.641 1
1 1047 . 20 1 1 A 85 85 TRP CB C 85 30.113 28.254 1.859 1
1 1053 . 20 1 1 A 85 85 TRP N N 85 121.388 123.267 -1.879 1
1 1055 . 20 1 1 A 86 86 LEU H H 86 9.348 8.860 0.488 1
1 1056 . 20 1 1 A 86 86 LEU HA H 86 4.847 4.875 -0.028 1
1 1066 . 20 1 1 A 86 86 LEU C C 86 176.991 176.252 0.739 1
1 1067 . 20 1 1 A 86 86 LEU CA C 86 53.102 54.044 -0.942 1
1 1068 . 20 1 1 A 86 86 LEU CB C 86 44.527 41.850 2.677 1
1 1071 . 20 1 1 A 86 86 LEU N N 86 126.537 126.028 0.509 1
1 1072 . 20 1 1 A 87 87 TRP H H 87 8.870 8.940 -0.070 1
1 1073 . 20 1 1 A 87 87 TRP HA H 87 4.465 4.990 -0.525 1
1 1082 . 20 1 1 A 87 87 TRP C C 87 175.731 176.933 -1.202 1
1 1083 . 20 1 1 A 87 87 TRP CA C 87 59.207 58.572 0.635 1
1 1084 . 20 1 1 A 87 87 TRP CB C 87 29.736 30.329 -0.593 1
1 1090 . 20 1 1 A 87 87 TRP N N 87 123.902 126.815 -2.913 1
1 1092 . 20 1 1 A 88 88 MET H H 88 9.432 9.105 0.327 1
1 1093 . 20 1 1 A 88 88 MET HA H 88 5.267 5.587 -0.320 1
1 1101 . 20 1 1 A 88 88 MET C C 88 174.713 174.165 0.548 1
1 1102 . 20 1 1 A 88 88 MET CA C 88 52.557 54.331 -1.774 1
1 1103 . 20 1 1 A 88 88 MET CB C 88 36.139 37.406 -1.267 1
1 1106 . 20 1 1 A 88 88 MET N N 88 123.412 121.379 2.033 1
1 1107 . 20 1 1 A 89 89 ARG H H 89 9.282 9.014 0.268 1
1 1108 . 20 1 1 A 89 89 ARG HA H 89 5.702 5.208 0.494 1
1 1115 . 20 1 1 A 89 89 ARG C C 89 177.137 175.710 1.427 1
1 1116 . 20 1 1 A 89 89 ARG CA C 89 54.266 54.778 -0.512 1
1 1117 . 20 1 1 A 89 89 ARG CB C 89 34.404 32.273 2.131 1
1 1120 . 20 1 1 A 89 89 ARG N N 89 119.570 121.243 -1.673 1
1 1121 . 20 1 1 A 90 90 THR H H 90 9.298 9.118 0.180 1
1 1122 . 20 1 1 A 90 90 THR HA H 90 5.625 5.311 0.314 1
1 1127 . 20 1 1 A 90 90 THR C C 90 176.787 174.435 2.352 1
1 1128 . 20 1 1 A 90 90 THR CA C 90 60.327 60.471 -0.144 1
1 1129 . 20 1 1 A 90 90 THR CB C 90 72.187 70.391 1.796 1
1 1131 . 20 1 1 A 90 90 THR N N 90 115.133 117.631 -2.498 1
1 1132 . 20 1 1 A 91 91 SER H H 91 8.194 8.752 -0.558 1
1 1133 . 20 1 1 A 91 91 SER HA H 91 4.860 5.140 -0.280 1
1 1136 . 20 1 1 A 91 91 SER C C 91 175.171 173.309 1.862 1
1 1137 . 20 1 1 A 91 91 SER CA C 91 59.224 57.247 1.977 1
1 1138 . 20 1 1 A 91 91 SER CB C 91 64.094 63.479 0.615 1
1 1139 . 20 1 1 A 91 91 SER N N 91 114.043 121.223 -7.180 1
1 1140 . 20 1 1 A 92 92 SER H H 92 9.864 8.079 1.785 1
1 1141 . 20 1 1 A 92 92 SER HA H 92 6.204 5.053 1.151 1
1 1144 . 20 1 1 A 92 92 SER C C 92 171.748 174.038 -2.290 1
1 1145 . 20 1 1 A 92 92 SER CA C 92 58.818 59.440 -0.622 1
1 1146 . 20 1 1 A 92 92 SER CB C 92 66.419 64.038 2.381 1
1 1147 . 20 1 1 A 92 92 SER N N 92 125.442 121.627 3.815 1
1 1148 . 20 1 1 A 93 93 GLN H H 93 8.873 8.721 0.152 1
1 1149 . 20 1 1 A 93 93 GLN HA H 93 5.048 5.002 0.046 1
1 1156 . 20 1 1 A 93 93 GLN C C 93 174.145 174.517 -0.372 1
1 1157 . 20 1 1 A 93 93 GLN CA C 93 54.262 54.500 -0.238 1
1 1158 . 20 1 1 A 93 93 GLN CB C 93 33.131 32.388 0.743 1
1 1160 . 20 1 1 A 93 93 GLN N N 93 117.328 122.196 -4.868 1
1 1162 . 20 1 1 A 94 94 THR H H 94 8.846 8.581 0.265 1
1 1163 . 20 1 1 A 94 94 THR HA H 94 3.979 4.561 -0.582 1
1 1168 . 20 1 1 A 94 94 THR C C 94 174.677 174.597 0.080 1
1 1169 . 20 1 1 A 94 94 THR CA C 94 64.467 62.613 1.854 1
1 1170 . 20 1 1 A 94 94 THR CB C 94 68.894 69.040 -0.146 1
1 1172 . 20 1 1 A 94 94 THR N N 94 116.526 113.162 3.364 1
1 1173 . 20 1 1 A 95 95 ALA H H 95 8.188 8.599 -0.411 1
1 1174 . 20 1 1 A 95 95 ALA HA H 95 4.161 4.351 -0.190 1
1 1178 . 20 1 1 A 95 95 ALA C C 95 176.285 177.905 -1.620 1
1 1179 . 20 1 1 A 95 95 ALA CA C 95 51.847 52.292 -0.445 1
1 1180 . 20 1 1 A 95 95 ALA CB C 95 18.999 20.284 -1.285 1
1 1181 . 20 1 1 A 95 95 ALA N N 95 126.311 128.345 -2.034 1
1 1182 . 20 1 1 A 96 96 GLN H H 96 8.324 8.671 -0.347 1
1 1183 . 20 1 1 A 96 96 GLN HA H 96 4.175 4.233 -0.058 1
1 1190 . 20 1 1 A 96 96 GLN C C 96 176.230 176.001 0.229 1
1 1191 . 20 1 1 A 96 96 GLN CA C 96 54.621 57.798 -3.177 1
1 1192 . 20 1 1 A 96 96 GLN CB C 96 30.003 28.819 1.184 1
1 1194 . 20 1 1 A 96 96 GLN N N 96 116.920 119.209 -2.289 1
1 1196 . 20 1 1 A 97 97 ASN H H 97 8.512 7.880 0.632 1
1 1197 . 20 1 1 A 97 97 ASN HA H 97 4.436 4.754 -0.318 1
1 1200 . 20 1 1 A 97 97 ASN CA C 97 52.928 51.063 1.865 1
1 1201 . 20 1 1 A 97 97 ASN CB C 97 37.851 40.960 -3.109 1
1 1202 . 20 1 1 A 97 97 ASN N N 97 119.656 112.357 7.299 1
1 1203 . 20 1 1 A 98 98 PRO HA H 98 4.566 4.365 0.201 1
1 1210 . 20 1 1 A 98 98 PRO C C 98 175.164 176.074 -0.910 1
1 1211 . 20 1 1 A 98 98 PRO CA C 98 63.824 63.517 0.307 1
1 1212 . 20 1 1 A 98 98 PRO CB C 98 32.473 32.698 -0.225 1
1 1215 . 20 1 1 A 99 99 TYR H H 99 8.780 7.280 1.500 1
1 1216 . 20 1 1 A 99 99 TYR HA H 99 4.996 4.690 0.306 1
1 1223 . 20 1 1 A 99 99 TYR C C 99 176.421 176.316 0.105 1
1 1224 . 20 1 1 A 99 99 TYR CA C 99 55.837 57.890 -2.053 1
1 1225 . 20 1 1 A 99 99 TYR CB C 99 37.199 37.611 -0.412 1
1 1230 . 20 1 1 A 99 99 TYR N N 99 127.975 119.537 8.438 1
1 1231 . 20 1 1 A 100 100 SER H H 100 7.655 8.031 -0.376 1
1 1232 . 20 1 1 A 100 100 SER HA H 100 4.274 4.443 -0.169 1
1 1235 . 20 1 1 A 100 100 SER C C 100 174.144 176.798 -2.654 1
1 1236 . 20 1 1 A 100 100 SER CA C 100 60.567 61.316 -0.749 1
1 1237 . 20 1 1 A 100 100 SER CB C 100 63.266 62.994 0.272 1
1 1238 . 20 1 1 A 100 100 SER N N 100 113.164 117.465 -4.301 1
1 1239 . 20 1 1 A 101 101 ASP H H 101 8.736 8.089 0.647 1
1 1240 . 20 1 1 A 101 101 ASP HA H 101 4.688 4.514 0.174 1
1 1243 . 20 1 1 A 101 101 ASP C C 101 175.535 176.364 -0.829 1
1 1244 . 20 1 1 A 101 101 ASP CA C 101 54.103 55.974 -1.871 1
1 1245 . 20 1 1 A 101 101 ASP CB C 101 40.098 40.911 -0.813 1
1 1246 . 20 1 1 A 101 101 ASP N N 101 118.476 120.933 -2.457 1
1 1247 . 20 1 1 A 102 102 GLU H H 102 8.127 8.390 -0.263 1
1 1248 . 20 1 1 A 102 102 GLU HA H 102 4.448 4.700 -0.252 1
1 1253 . 20 1 1 A 102 102 GLU CA C 102 54.963 55.465 -0.502 1
1 1254 . 20 1 1 A 102 102 GLU CB C 102 31.769 31.462 0.307 1
1 1256 . 20 1 1 A 102 102 GLU N N 102 119.744 118.448 1.296 1
1 1257 . 20 1 1 A 103 103 ILE H H 103 8.645 8.542 0.103 1
1 1258 . 20 1 1 A 103 103 ILE HA H 103 4.001 4.702 -0.701 1
1 1268 . 20 1 1 A 103 103 ILE C C 103 174.065 174.580 -0.515 1
1 1269 . 20 1 1 A 103 103 ILE CA C 103 60.418 60.879 -0.461 1
1 1270 . 20 1 1 A 103 103 ILE CB C 103 40.781 40.790 -0.009 1
1 1274 . 20 1 1 A 103 103 ILE N N 103 121.388 120.762 0.626 1
1 1275 . 20 1 1 A 104 104 GLU H H 104 8.957 9.127 -0.170 1
1 1276 . 20 1 1 A 104 104 GLU HA H 104 5.099 4.560 0.539 1
1 1281 . 20 1 1 A 104 104 GLU C C 104 175.093 175.255 -0.162 1
1 1282 . 20 1 1 A 104 104 GLU CA C 104 54.898 56.184 -1.286 1
1 1283 . 20 1 1 A 104 104 GLU CB C 104 32.330 30.100 2.230 1
1 1285 . 20 1 1 A 104 104 GLU N N 104 125.935 128.363 -2.428 1
1 1286 . 20 1 1 A 105 105 THR H H 105 8.774 8.857 -0.083 1
1 1287 . 20 1 1 A 105 105 THR HA H 105 5.226 4.936 0.290 1
1 1292 . 20 1 1 A 105 105 THR C C 105 174.876 173.725 1.151 1
1 1293 . 20 1 1 A 105 105 THR CA C 105 61.469 62.276 -0.807 1
1 1294 . 20 1 1 A 105 105 THR CB C 105 70.382 69.977 0.405 1
1 1296 . 20 1 1 A 105 105 THR N N 105 127.200 121.195 6.005 1
1 1297 . 20 1 1 A 106 106 ILE H H 106 9.186 8.952 0.234 1
1 1298 . 20 1 1 A 106 106 ILE HA H 106 4.486 4.595 -0.109 1
1 1308 . 20 1 1 A 106 106 ILE C C 106 175.412 175.224 0.188 1
1 1309 . 20 1 1 A 106 106 ILE CA C 106 61.423 60.492 0.931 1
1 1310 . 20 1 1 A 106 106 ILE CB C 106 38.432 37.647 0.785 1
1 1313 . 20 1 1 A 106 106 ILE N N 106 107.991 128.452 -20.461 1
1 1314 . 20 1 1 A 107 107 ILE H H 107 8.431 8.203 0.228 1
1 1315 . 20 1 1 A 107 107 ILE HA H 107 4.239 4.475 -0.236 1
1 1325 . 20 1 1 A 107 107 ILE C C 107 173.805 174.707 -0.902 1
1 1326 . 20 1 1 A 107 107 ILE CA C 107 61.459 60.593 0.866 1
1 1327 . 20 1 1 A 107 107 ILE CB C 107 37.499 37.032 0.467 1
1 1331 . 20 1 1 A 107 107 ILE N N 107 129.202 128.424 0.778 1
1 1332 . 20 1 1 A 108 108 CYS H H 108 8.581 9.198 -0.617 1
1 1333 . 20 1 1 A 108 108 CYS HA H 108 5.298 5.136 0.162 1
1 1336 . 20 1 1 A 108 108 CYS C C 108 174.235 173.890 0.345 1
1 1337 . 20 1 1 A 108 108 CYS CA C 108 55.861 57.125 -1.264 1
1 1338 . 20 1 1 A 108 108 CYS CB C 108 31.110 30.347 0.763 1
1 1339 . 20 1 1 A 108 108 CYS N N 108 124.561 128.057 -3.496 1
1 1340 . 20 1 1 A 109 109 THR H H 109 8.701 8.637 0.064 1
1 1341 . 20 1 1 A 109 109 THR HA H 109 4.733 4.538 0.195 1
1 1346 . 20 1 1 A 109 109 THR C C 109 174.927 174.143 0.784 1
1 1347 . 20 1 1 A 109 109 THR CA C 109 63.466 62.264 1.202 1
1 1348 . 20 1 1 A 109 109 THR CB C 109 69.636 69.707 -0.071 1
1 1350 . 20 1 1 A 109 109 THR N N 109 119.017 117.151 1.866 1
1 1351 . 20 1 1 A 110 110 ASN H H 110 8.527 9.014 -0.487 1
1 1352 . 20 1 1 A 110 110 ASN HA H 110 4.891 5.097 -0.206 1
1 1357 . 20 1 1 A 110 110 ASN C C 110 174.829 174.113 0.716 1
1 1358 . 20 1 1 A 110 110 ASN CA C 110 53.104 52.020 1.084 1
1 1359 . 20 1 1 A 110 110 ASN CB C 110 39.813 39.554 0.259 1
1 1360 . 20 1 1 A 110 110 ASN N N 110 122.861 122.376 0.485 1
1 1362 . 20 1 1 A 111 111 THR H H 111 8.159 7.793 0.366 1
1 1363 . 20 1 1 A 111 111 THR HA H 111 4.407 4.908 -0.501 1
1 1368 . 20 1 1 A 111 111 THR C C 111 174.189 173.731 0.458 1
1 1369 . 20 1 1 A 111 111 THR CA C 111 61.900 60.448 1.452 1
1 1370 . 20 1 1 A 111 111 THR CB C 111 69.400 71.528 -2.128 1
1 1372 . 20 1 1 A 111 111 THR N N 111 114.879 111.252 3.627 1
1 1373 . 20 1 1 A 112 112 ASN H H 112 8.359 8.696 -0.337 1
1 1374 . 20 1 1 A 112 112 ASN N N 112 121.000 118.540 2.460 1
1 1375 . 20 1 1 A 117 117 SER C C 117 174.242 174.316 -0.074 1
1 1376 . 20 1 1 A 117 117 SER CA C 117 58.557 61.518 -2.961 1
1 1377 . 20 1 1 A 117 117 SER CB C 117 63.729 62.920 0.809 1
1 1378 . 20 1 1 A 118 118 GLN H H 118 8.304 7.805 0.499 1
1 1379 . 20 1 1 A 118 118 GLN C C 118 174.889 175.881 -0.992 1
1 1380 . 20 1 1 A 118 118 GLN CA C 118 55.764 54.742 1.022 1
1 1381 . 20 1 1 A 118 118 GLN CB C 118 29.659 30.469 -0.810 1
1 1382 . 20 1 1 A 118 118 GLN N N 118 122.171 119.417 2.754 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 97 1.167 1
2 1 1 1 "RMS(OBS, PRED)" CA 110 1.404 1
3 1 1 1 "RMS(OBS, PRED)" CB 106 1.497 1
4 1 1 1 "RMS(OBS, PRED)" H 105 0.581 1
5 1 1 1 "RMS(OBS, PRED)" HA 109 0.342 1
6 1 1 1 "RMS(OBS, PRED)" N 105 3.986 1
7 1 2 1 "RMS(OBS, PRED)" C 97 1.171 1
8 1 2 1 "RMS(OBS, PRED)" CA 110 1.411 1
9 1 2 1 "RMS(OBS, PRED)" CB 106 1.510 1
10 1 2 1 "RMS(OBS, PRED)" H 105 0.594 1
11 1 2 1 "RMS(OBS, PRED)" HA 109 0.343 1
12 1 2 1 "RMS(OBS, PRED)" N 105 3.982 1
13 1 3 1 "RMS(OBS, PRED)" C 97 1.188 1
14 1 3 1 "RMS(OBS, PRED)" CA 110 1.343 1
15 1 3 1 "RMS(OBS, PRED)" CB 106 1.481 1
16 1 3 1 "RMS(OBS, PRED)" H 105 0.589 1
17 1 3 1 "RMS(OBS, PRED)" HA 109 0.347 1
18 1 3 1 "RMS(OBS, PRED)" N 105 3.918 1
19 1 4 1 "RMS(OBS, PRED)" C 97 1.180 1
20 1 4 1 "RMS(OBS, PRED)" CA 110 1.318 1
21 1 4 1 "RMS(OBS, PRED)" CB 106 1.467 1
22 1 4 1 "RMS(OBS, PRED)" H 105 0.566 1
23 1 4 1 "RMS(OBS, PRED)" HA 109 0.352 1
24 1 4 1 "RMS(OBS, PRED)" N 105 3.974 1
25 1 5 1 "RMS(OBS, PRED)" C 97 1.185 1
26 1 5 1 "RMS(OBS, PRED)" CA 110 1.328 1
27 1 5 1 "RMS(OBS, PRED)" CB 106 1.447 1
28 1 5 1 "RMS(OBS, PRED)" H 105 0.586 1
29 1 5 1 "RMS(OBS, PRED)" HA 109 0.345 1
30 1 5 1 "RMS(OBS, PRED)" N 105 4.129 1
31 1 6 1 "RMS(OBS, PRED)" C 97 1.145 1
32 1 6 1 "RMS(OBS, PRED)" CA 110 1.388 1
33 1 6 1 "RMS(OBS, PRED)" CB 106 1.499 1
34 1 6 1 "RMS(OBS, PRED)" H 105 0.596 1
35 1 6 1 "RMS(OBS, PRED)" HA 109 0.356 1
36 1 6 1 "RMS(OBS, PRED)" N 105 3.933 1
37 1 7 1 "RMS(OBS, PRED)" C 97 1.153 1
38 1 7 1 "RMS(OBS, PRED)" CA 110 1.436 1
39 1 7 1 "RMS(OBS, PRED)" CB 106 1.569 1
40 1 7 1 "RMS(OBS, PRED)" H 105 0.597 1
41 1 7 1 "RMS(OBS, PRED)" HA 109 0.362 1
42 1 7 1 "RMS(OBS, PRED)" N 105 3.886 1
43 1 8 1 "RMS(OBS, PRED)" C 97 1.192 1
44 1 8 1 "RMS(OBS, PRED)" CA 110 1.379 1
45 1 8 1 "RMS(OBS, PRED)" CB 106 1.503 1
46 1 8 1 "RMS(OBS, PRED)" H 105 0.605 1
47 1 8 1 "RMS(OBS, PRED)" HA 109 0.346 1
48 1 8 1 "RMS(OBS, PRED)" N 105 4.030 1
49 1 9 1 "RMS(OBS, PRED)" C 97 1.145 1
50 1 9 1 "RMS(OBS, PRED)" CA 110 1.193 1
51 1 9 1 "RMS(OBS, PRED)" CB 106 1.425 1
52 1 9 1 "RMS(OBS, PRED)" H 105 0.586 1
53 1 9 1 "RMS(OBS, PRED)" HA 109 0.347 1
54 1 9 1 "RMS(OBS, PRED)" N 105 4.060 1
55 1 10 1 "RMS(OBS, PRED)" C 97 1.157 1
56 1 10 1 "RMS(OBS, PRED)" CA 110 1.233 1
57 1 10 1 "RMS(OBS, PRED)" CB 106 1.569 1
58 1 10 1 "RMS(OBS, PRED)" H 105 0.599 1
59 1 10 1 "RMS(OBS, PRED)" HA 109 0.350 1
60 1 10 1 "RMS(OBS, PRED)" N 105 4.007 1
61 1 11 1 "RMS(OBS, PRED)" C 97 1.168 1
62 1 11 1 "RMS(OBS, PRED)" CA 110 1.370 1
63 1 11 1 "RMS(OBS, PRED)" CB 106 1.497 1
64 1 11 1 "RMS(OBS, PRED)" H 105 0.590 1
65 1 11 1 "RMS(OBS, PRED)" HA 109 0.357 1
66 1 11 1 "RMS(OBS, PRED)" N 105 4.060 1
67 1 12 1 "RMS(OBS, PRED)" C 97 1.154 1
68 1 12 1 "RMS(OBS, PRED)" CA 110 1.332 1
69 1 12 1 "RMS(OBS, PRED)" CB 106 1.462 1
70 1 12 1 "RMS(OBS, PRED)" H 105 0.581 1
71 1 12 1 "RMS(OBS, PRED)" HA 109 0.354 1
72 1 12 1 "RMS(OBS, PRED)" N 105 4.017 1
73 1 13 1 "RMS(OBS, PRED)" C 97 1.140 1
74 1 13 1 "RMS(OBS, PRED)" CA 110 1.274 1
75 1 13 1 "RMS(OBS, PRED)" CB 106 1.546 1
76 1 13 1 "RMS(OBS, PRED)" H 105 0.587 1
77 1 13 1 "RMS(OBS, PRED)" HA 109 0.346 1
78 1 13 1 "RMS(OBS, PRED)" N 105 4.051 1
79 1 14 1 "RMS(OBS, PRED)" C 97 1.166 1
80 1 14 1 "RMS(OBS, PRED)" CA 110 1.262 1
81 1 14 1 "RMS(OBS, PRED)" CB 106 1.425 1
82 1 14 1 "RMS(OBS, PRED)" H 105 0.595 1
83 1 14 1 "RMS(OBS, PRED)" HA 109 0.347 1
84 1 14 1 "RMS(OBS, PRED)" N 105 3.883 1
85 1 15 1 "RMS(OBS, PRED)" C 97 1.192 1
86 1 15 1 "RMS(OBS, PRED)" CA 110 1.337 1
87 1 15 1 "RMS(OBS, PRED)" CB 106 1.486 1
88 1 15 1 "RMS(OBS, PRED)" H 105 0.576 1
89 1 15 1 "RMS(OBS, PRED)" HA 109 0.337 1
90 1 15 1 "RMS(OBS, PRED)" N 105 3.930 1
91 1 16 1 "RMS(OBS, PRED)" C 97 1.116 1
92 1 16 1 "RMS(OBS, PRED)" CA 110 1.332 1
93 1 16 1 "RMS(OBS, PRED)" CB 106 1.461 1
94 1 16 1 "RMS(OBS, PRED)" H 105 0.582 1
95 1 16 1 "RMS(OBS, PRED)" HA 109 0.343 1
96 1 16 1 "RMS(OBS, PRED)" N 105 3.944 1
97 1 17 1 "RMS(OBS, PRED)" C 97 1.148 1
98 1 17 1 "RMS(OBS, PRED)" CA 110 1.359 1
99 1 17 1 "RMS(OBS, PRED)" CB 106 1.517 1
100 1 17 1 "RMS(OBS, PRED)" H 105 0.602 1
101 1 17 1 "RMS(OBS, PRED)" HA 109 0.373 1
102 1 17 1 "RMS(OBS, PRED)" N 105 4.006 1
103 1 18 1 "RMS(OBS, PRED)" C 97 1.172 1
104 1 18 1 "RMS(OBS, PRED)" CA 110 1.364 1
105 1 18 1 "RMS(OBS, PRED)" CB 106 1.491 1
106 1 18 1 "RMS(OBS, PRED)" H 105 0.599 1
107 1 18 1 "RMS(OBS, PRED)" HA 109 0.348 1
108 1 18 1 "RMS(OBS, PRED)" N 105 4.074 1
109 1 19 1 "RMS(OBS, PRED)" C 97 1.134 1
110 1 19 1 "RMS(OBS, PRED)" CA 110 1.242 1
111 1 19 1 "RMS(OBS, PRED)" CB 106 1.501 1
112 1 19 1 "RMS(OBS, PRED)" H 105 0.588 1
113 1 19 1 "RMS(OBS, PRED)" HA 109 0.347 1
114 1 19 1 "RMS(OBS, PRED)" N 105 4.026 1
115 1 20 1 "RMS(OBS, PRED)" C 97 1.162 1
116 1 20 1 "RMS(OBS, PRED)" CA 110 1.323 1
117 1 20 1 "RMS(OBS, PRED)" CB 106 1.462 1
118 1 20 1 "RMS(OBS, PRED)" H 105 0.590 1
119 1 20 1 "RMS(OBS, PRED)" HA 109 0.352 1
120 1 20 1 "RMS(OBS, PRED)" N 105 4.117 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 2 2 ALA HA H 2 4.298 4.495 -0.197 2
1 5 . 1 1 A 2 2 ALA CA C 2 53.448 51.943 1.505 2
1 6 . 1 1 A 2 2 ALA CB C 2 19.236 19.904 -0.668 2
1 7 . 1 1 A 3 3 MET H H 3 8.518 8.270 0.248 2
1 12 . 1 1 A 3 3 MET N N 3 117.762 119.061 -1.299 2
1 13 . 1 1 A 4 4 ASP CA C 4 54.632 53.987 0.645 2
1 14 . 1 1 A 4 4 ASP CB C 4 41.102 41.218 -0.116 2
1 15 . 1 1 A 5 5 ASN H H 5 8.332 8.344 -0.012 2
1 18 . 1 1 A 5 5 ASN CA C 5 53.361 55.239 -1.878 2
1 19 . 1 1 A 5 5 ASN CB C 5 38.775 38.679 0.096 2
1 20 . 1 1 A 5 5 ASN N N 5 118.200 119.467 -1.267 2
1 22 . 1 1 A 6 6 VAL H H 6 7.939 7.912 0.027 2
1 23 . 1 1 A 6 6 VAL HA H 6 4.142 4.531 -0.389 2
1 31 . 1 1 A 6 6 VAL CA C 6 62.634 60.036 2.598 2
1 32 . 1 1 A 6 6 VAL CB C 6 32.598 34.353 -1.755 2
1 35 . 1 1 A 6 6 VAL N N 6 120.396 116.838 3.558 2
1 36 . 1 1 A 7 7 CYS H H 7 8.304 8.632 -0.328 2
1 37 . 1 1 A 7 7 CYS CA C 7 56.095 61.358 -5.263 2
1 38 . 1 1 A 7 7 CYS CB C 7 32.967 27.532 5.435 2
1 39 . 1 1 A 7 7 CYS N N 7 124.774 122.736 2.038 2
1 40 . 1 1 A 9 9 PRO HA H 9 4.547 4.748 -0.201 2
1 46 . 1 1 A 9 9 PRO C C 9 176.493 175.758 0.735 2
1 47 . 1 1 A 9 9 PRO CA C 9 63.142 62.403 0.739 2
1 48 . 1 1 A 9 9 PRO CB C 9 32.554 33.125 -0.571 2
1 51 . 1 1 A 10 10 THR H H 10 8.368 8.764 -0.396 2
1 52 . 1 1 A 10 10 THR HA H 10 4.418 4.490 -0.072 2
1 57 . 1 1 A 10 10 THR C C 10 172.743 173.604 -0.861 2
1 58 . 1 1 A 10 10 THR CA C 10 61.197 62.916 -1.720 2
1 59 . 1 1 A 10 10 THR CB C 10 69.660 71.380 -1.720 2
1 61 . 1 1 A 10 10 THR N N 10 112.513 113.751 -1.238 2
1 62 . 1 1 A 11 11 GLU H H 11 7.813 7.931 -0.118 2
1 63 . 1 1 A 11 11 GLU HA H 11 5.549 5.102 0.447 2
1 68 . 1 1 A 11 11 GLU C C 11 173.062 174.118 -1.055 2
1 69 . 1 1 A 11 11 GLU CA C 11 53.855 55.523 -1.668 2
1 70 . 1 1 A 11 11 GLU CB C 11 33.820 32.792 1.028 2
1 72 . 1 1 A 11 11 GLU N N 11 119.491 116.358 3.133 2
1 73 . 1 1 A 12 12 PHE H H 12 8.198 8.810 -0.613 2
1 74 . 1 1 A 12 12 PHE HA H 12 5.014 5.812 -0.798 2
1 82 . 1 1 A 12 12 PHE C C 12 171.976 173.586 -1.610 2
1 83 . 1 1 A 12 12 PHE CA C 12 55.597 55.316 0.281 2
1 84 . 1 1 A 12 12 PHE CB C 12 42.384 42.114 0.270 2
1 90 . 1 1 A 12 12 PHE N N 12 111.146 117.400 -6.254 2
1 91 . 1 1 A 13 13 ILE H H 13 8.655 8.711 -0.056 2
1 92 . 1 1 A 13 13 ILE HA H 13 4.165 4.413 -0.248 2
1 102 . 1 1 A 13 13 ILE C C 13 173.432 175.025 -1.593 2
1 103 . 1 1 A 13 13 ILE CA C 13 62.270 61.978 0.292 2
1 104 . 1 1 A 13 13 ILE CB C 13 39.957 36.906 3.051 2
1 108 . 1 1 A 13 13 ILE N N 13 121.427 124.616 -3.189 2
1 109 . 1 1 A 14 14 SER H H 14 8.034 8.947 -0.913 2
1 110 . 1 1 A 14 14 SER HA H 14 5.588 5.191 0.397 2
1 113 . 1 1 A 14 14 SER C C 14 173.429 173.590 -0.161 2
1 114 . 1 1 A 14 14 SER CA C 14 56.650 56.534 0.116 2
1 115 . 1 1 A 14 14 SER CB C 14 70.177 64.872 5.305 2
1 116 . 1 1 A 14 14 SER N N 14 121.358 123.356 -1.998 2
1 117 . 1 1 A 15 15 ARG H H 15 9.545 8.931 0.614 2
1 118 . 1 1 A 15 15 ARG HA H 15 5.826 4.807 1.019 2
1 126 . 1 1 A 15 15 ARG C C 15 176.042 175.613 0.429 2
1 127 . 1 1 A 15 15 ARG CA C 15 55.105 55.510 -0.405 2
1 128 . 1 1 A 15 15 ARG CB C 15 35.587 32.534 3.053 2
1 131 . 1 1 A 15 15 ARG N N 15 118.317 126.995 -8.678 2
1 133 . 1 1 A 16 16 HIS H H 16 8.730 8.235 0.495 2
1 134 . 1 1 A 16 16 HIS HA H 16 5.555 5.473 0.082 2
1 141 . 1 1 A 16 16 HIS C C 16 174.062 173.043 1.019 2
1 142 . 1 1 A 16 16 HIS CA C 16 54.057 54.543 -0.486 2
1 143 . 1 1 A 16 16 HIS CB C 16 31.334 31.300 0.034 2
1 146 . 1 1 A 16 16 HIS N N 16 117.425 116.983 0.442 2
1 148 . 1 1 A 17 17 ASN H H 17 8.201 8.705 -0.504 2
1 149 . 1 1 A 17 17 ASN HA H 17 4.897 5.012 -0.115 2
1 154 . 1 1 A 17 17 ASN C C 17 178.263 175.662 2.601 2
1 155 . 1 1 A 17 17 ASN CA C 17 51.104 51.631 -0.527 2
1 156 . 1 1 A 17 17 ASN CB C 17 38.469 39.110 -0.641 2
1 157 . 1 1 A 17 17 ASN N N 17 116.276 117.921 -1.645 2
1 159 . 1 1 A 18 18 ILE H H 18 8.774 8.798 -0.024 2
1 160 . 1 1 A 18 18 ILE HA H 18 3.795 3.912 -0.117 2
1 170 . 1 1 A 18 18 ILE C C 18 174.851 177.763 -2.912 2
1 171 . 1 1 A 18 18 ILE CA C 18 64.399 64.079 0.320 2
1 172 . 1 1 A 18 18 ILE CB C 18 38.072 37.876 0.196 2
1 176 . 1 1 A 18 18 ILE N N 18 120.001 120.195 -0.194 2
1 177 . 1 1 A 19 19 GLU H H 19 7.213 7.852 -0.639 2
1 178 . 1 1 A 19 19 GLU HA H 19 4.225 4.114 0.111 2
1 183 . 1 1 A 19 19 GLU CA C 19 57.145 56.816 0.329 2
1 184 . 1 1 A 19 19 GLU CB C 19 29.878 29.806 0.072 2
1 186 . 1 1 A 19 19 GLU N N 19 116.538 119.885 -3.347 2
1 187 . 1 1 A 20 20 GLY H H 20 7.845 7.840 0.005 2
1 188 . 1 1 A 20 20 GLY HA2 H 20 4.878 2.780 2.098 2
1 189 . 1 1 A 20 20 GLY HA3 H 20 2.886 3.628 -0.742 2
1 190 . 1 1 A 20 20 GLY C C 20 172.992 174.075 -1.083 2
1 191 . 1 1 A 20 20 GLY CA C 20 44.049 44.294 -0.245 2
1 192 . 1 1 A 20 20 GLY N N 20 104.883 106.130 -1.247 2
1 193 . 1 1 A 21 21 ILE H H 21 7.841 7.590 0.251 2
1 194 . 1 1 A 21 21 ILE HA H 21 3.995 4.078 -0.083 2
1 204 . 1 1 A 21 21 ILE C C 21 176.915 175.456 1.459 2
1 205 . 1 1 A 21 21 ILE CA C 21 60.302 61.716 -1.414 2
1 206 . 1 1 A 21 21 ILE CB C 21 36.111 38.014 -1.903 2
1 210 . 1 1 A 21 21 ILE N N 21 120.855 122.697 -1.842 2
1 211 . 1 1 A 22 22 PHE H H 22 8.896 8.642 0.254 2
1 212 . 1 1 A 22 22 PHE HA H 22 5.052 5.020 0.032 2
1 220 . 1 1 A 22 22 PHE C C 22 177.971 176.237 1.734 2
1 221 . 1 1 A 22 22 PHE CA C 22 59.625 58.910 0.715 2
1 222 . 1 1 A 22 22 PHE CB C 22 39.984 39.017 0.967 2
1 228 . 1 1 A 22 22 PHE N N 22 125.849 128.512 -2.663 2
1 229 . 1 1 A 23 23 THR H H 23 9.771 8.844 0.927 2
1 230 . 1 1 A 23 23 THR HA H 23 4.403 4.493 -0.090 2
1 235 . 1 1 A 23 23 THR C C 23 175.589 174.526 1.063 2
1 236 . 1 1 A 23 23 THR CA C 23 61.611 62.284 -0.673 2
1 237 . 1 1 A 23 23 THR CB C 23 69.193 69.184 0.009 2
1 239 . 1 1 A 23 23 THR N N 23 117.677 115.467 2.210 2
1 240 . 1 1 A 24 24 PHE H H 24 7.948 7.418 0.530 2
1 241 . 1 1 A 24 24 PHE HA H 24 4.483 4.783 -0.300 2
1 249 . 1 1 A 24 24 PHE C C 24 173.376 173.292 0.084 2
1 250 . 1 1 A 24 24 PHE CA C 24 59.142 58.259 0.883 2
1 251 . 1 1 A 24 24 PHE CB C 24 42.161 42.403 -0.242 2
1 257 . 1 1 A 24 24 PHE N N 24 123.378 121.203 2.175 2
1 258 . 1 1 A 25 25 VAL H H 25 7.340 7.404 -0.064 2
1 259 . 1 1 A 25 25 VAL HA H 25 4.166 4.332 -0.166 2
1 267 . 1 1 A 25 25 VAL C C 25 173.103 173.556 -0.453 2
1 268 . 1 1 A 25 25 VAL CA C 25 61.539 60.399 1.140 2
1 269 . 1 1 A 25 25 VAL CB C 25 35.683 35.047 0.636 2
1 272 . 1 1 A 25 25 VAL N N 25 124.777 123.636 1.141 2
1 273 . 1 1 A 26 26 ASP H H 26 7.942 8.439 -0.497 2
1 274 . 1 1 A 26 26 ASP HA H 26 4.466 4.551 -0.085 2
1 277 . 1 1 A 26 26 ASP C C 26 175.258 177.265 -2.007 2
1 278 . 1 1 A 26 26 ASP CA C 26 53.318 54.383 -1.065 2
1 279 . 1 1 A 26 26 ASP CB C 26 42.461 42.316 0.145 2
1 280 . 1 1 A 26 26 ASP N N 26 125.573 126.511 -0.938 2
1 281 . 1 1 A 27 27 HIS H H 27 8.115 8.869 -0.754 2
1 282 . 1 1 A 27 27 HIS HA H 27 4.222 4.111 0.111 2
1 286 . 1 1 A 27 27 HIS C C 27 177.268 176.481 0.787 2
1 287 . 1 1 A 27 27 HIS CA C 27 59.164 58.716 0.448 2
1 288 . 1 1 A 27 27 HIS CB C 27 30.374 29.237 1.137 2
1 290 . 1 1 A 27 27 HIS N N 27 117.576 123.593 -6.017 2
1 291 . 1 1 A 28 28 ARG H H 28 8.724 8.084 0.640 2
1 292 . 1 1 A 28 28 ARG HA H 28 4.210 3.707 0.503 2
1 300 . 1 1 A 28 28 ARG C C 28 177.838 179.089 -1.251 2
1 301 . 1 1 A 28 28 ARG CA C 28 58.199 59.280 -1.081 2
1 302 . 1 1 A 28 28 ARG CB C 28 29.815 29.508 0.307 2
1 305 . 1 1 A 28 28 ARG N N 28 122.414 120.643 1.771 2
1 307 . 1 1 A 29 29 CYS H H 29 8.102 8.242 -0.140 2
1 308 . 1 1 A 29 29 CYS HA H 29 3.124 3.134 -0.010 2
1 311 . 1 1 A 29 29 CYS C C 29 175.551 177.013 -1.462 2
1 312 . 1 1 A 29 29 CYS CA C 29 59.988 60.949 -0.961 2
1 313 . 1 1 A 29 29 CYS CB C 29 25.101 26.212 -1.111 2
1 314 . 1 1 A 29 29 CYS N N 29 119.987 117.501 2.486 2
1 315 . 1 1 A 30 30 VAL H H 30 7.139 7.120 0.019 2
1 316 . 1 1 A 30 30 VAL HA H 30 3.373 3.649 -0.276 2
1 324 . 1 1 A 30 30 VAL C C 30 178.225 177.996 0.229 2
1 325 . 1 1 A 30 30 VAL CA C 30 65.903 64.478 1.425 2
1 326 . 1 1 A 30 30 VAL CB C 30 31.446 31.523 -0.077 2
1 329 . 1 1 A 30 30 VAL N N 30 125.016 119.385 5.631 2
1 330 . 1 1 A 31 31 ALA H H 31 7.393 7.739 -0.346 2
1 331 . 1 1 A 31 31 ALA HA H 31 4.126 4.092 0.034 2
1 335 . 1 1 A 31 31 ALA C C 31 178.111 179.794 -1.683 2
1 336 . 1 1 A 31 31 ALA CA C 31 53.715 54.428 -0.713 2
1 337 . 1 1 A 31 31 ALA CB C 31 19.223 18.455 0.768 2
1 338 . 1 1 A 31 31 ALA N N 31 120.554 124.110 -3.556 2
1 339 . 1 1 A 32 32 THR H H 32 7.253 7.767 -0.514 2
1 340 . 1 1 A 32 32 THR HA H 32 4.116 4.059 0.057 2
1 345 . 1 1 A 32 32 THR C C 32 175.655 176.013 -0.358 2
1 346 . 1 1 A 32 32 THR CA C 32 64.727 65.569 -0.842 2
1 347 . 1 1 A 32 32 THR CB C 32 69.144 69.332 -0.188 2
1 349 . 1 1 A 32 32 THR N N 32 109.150 113.651 -4.501 2
1 350 . 1 1 A 33 33 VAL H H 33 7.939 7.698 0.241 2
1 351 . 1 1 A 33 33 VAL HA H 33 4.504 4.540 -0.036 2
1 359 . 1 1 A 33 33 VAL C C 33 175.594 176.288 -0.694 2
1 360 . 1 1 A 33 33 VAL CA C 33 60.596 60.487 0.109 2
1 361 . 1 1 A 33 33 VAL CB C 33 34.900 31.422 3.478 2
1 364 . 1 1 A 33 33 VAL N N 33 108.519 113.166 -4.647 2
1 365 . 1 1 A 34 34 GLY H H 34 7.439 7.801 -0.362 2
1 366 . 1 1 A 34 34 GLY HA2 H 34 4.099 3.682 0.417 2
1 367 . 1 1 A 34 34 GLY HA3 H 34 3.846 3.787 0.059 2
1 368 . 1 1 A 34 34 GLY C C 34 173.655 173.567 0.088 2
1 369 . 1 1 A 34 34 GLY CA C 34 46.538 45.378 1.160 2
1 370 . 1 1 A 34 34 GLY N N 34 109.672 110.177 -0.505 2
1 371 . 1 1 A 35 35 TYR H H 35 6.215 7.516 -1.301 2
1 372 . 1 1 A 35 35 TYR HA H 35 4.415 4.736 -0.321 2
1 379 . 1 1 A 35 35 TYR C C 35 174.492 175.300 -0.808 2
1 380 . 1 1 A 35 35 TYR CA C 35 57.289 58.924 -1.635 2
1 381 . 1 1 A 35 35 TYR CB C 35 40.784 38.107 2.677 2
1 386 . 1 1 A 35 35 TYR N N 35 117.067 119.960 -2.893 2
1 387 . 1 1 A 36 36 GLN H H 36 9.145 8.540 0.605 2
1 388 . 1 1 A 36 36 GLN HA H 36 4.285 4.235 0.050 2
1 393 . 1 1 A 36 36 GLN CA C 36 53.760 54.624 -0.864 2
1 394 . 1 1 A 36 36 GLN CB C 36 27.558 28.422 -0.864 2
1 396 . 1 1 A 36 36 GLN N N 36 117.664 124.068 -6.404 2
1 397 . 1 1 A 37 37 PRO HA H 37 3.755 4.039 -0.284 2
1 404 . 1 1 A 37 37 PRO C C 37 178.629 178.202 0.427 2
1 405 . 1 1 A 37 37 PRO CA C 37 66.415 65.764 0.651 2
1 406 . 1 1 A 37 37 PRO CB C 37 31.313 31.663 -0.350 2
1 409 . 1 1 A 38 38 GLN H H 38 8.870 8.810 0.060 2
1 410 . 1 1 A 38 38 GLN HA H 38 3.996 4.071 -0.075 2
1 415 . 1 1 A 38 38 GLN C C 38 177.121 177.590 -0.469 2
1 416 . 1 1 A 38 38 GLN CA C 38 58.468 58.664 -0.196 2
1 417 . 1 1 A 38 38 GLN CB C 38 27.259 27.659 -0.400 2
1 419 . 1 1 A 38 38 GLN N N 38 113.031 115.367 -2.336 2
1 420 . 1 1 A 39 39 GLU H H 39 7.799 7.917 -0.118 2
1 421 . 1 1 A 39 39 GLU HA H 39 4.203 4.233 -0.030 2
1 426 . 1 1 A 39 39 GLU C C 39 175.485 177.301 -1.816 2
1 427 . 1 1 A 39 39 GLU CA C 39 57.598 58.436 -0.838 2
1 428 . 1 1 A 39 39 GLU CB C 39 30.955 29.596 1.359 2
1 430 . 1 1 A 39 39 GLU N N 39 117.366 119.584 -2.218 2
1 431 . 1 1 A 40 40 LEU H H 40 7.001 7.318 -0.317 2
1 432 . 1 1 A 40 40 LEU HA H 40 4.205 4.521 -0.316 2
1 442 . 1 1 A 40 40 LEU C C 40 176.417 177.333 -0.916 2
1 443 . 1 1 A 40 40 LEU CA C 40 55.345 55.678 -0.333 2
1 444 . 1 1 A 40 40 LEU CB C 40 43.190 43.526 -0.336 2
1 448 . 1 1 A 40 40 LEU N N 40 116.615 118.441 -1.826 2
1 449 . 1 1 A 41 41 LEU H H 41 7.521 7.933 -0.412 2
1 450 . 1 1 A 41 41 LEU HA H 41 3.678 4.331 -0.653 2
1 460 . 1 1 A 41 41 LEU C C 41 177.754 177.961 -0.207 2
1 461 . 1 1 A 41 41 LEU CA C 41 57.050 57.277 -0.227 2
1 462 . 1 1 A 41 41 LEU CB C 41 42.155 41.637 0.518 2
1 466 . 1 1 A 41 41 LEU N N 41 117.814 121.142 -3.328 2
1 467 . 1 1 A 42 42 GLY H H 42 8.535 9.300 -0.765 2
1 468 . 1 1 A 42 42 GLY HA2 H 42 4.328 4.011 0.317 2
1 469 . 1 1 A 42 42 GLY HA3 H 42 3.601 4.011 -0.410 2
1 470 . 1 1 A 42 42 GLY C C 42 173.808 173.765 0.043 2
1 471 . 1 1 A 42 42 GLY CA C 42 45.689 45.324 0.365 2
1 472 . 1 1 A 42 42 GLY N N 42 110.496 111.927 -1.431 2
1 473 . 1 1 A 43 43 LYS H H 43 8.398 8.135 0.263 2
1 474 . 1 1 A 43 43 LYS HA H 43 4.680 4.607 0.073 2
1 483 . 1 1 A 43 43 LYS C C 43 173.943 175.444 -1.501 2
1 484 . 1 1 A 43 43 LYS CA C 43 54.361 54.582 -0.221 2
1 485 . 1 1 A 43 43 LYS CB C 43 33.960 34.273 -0.313 2
1 489 . 1 1 A 43 43 LYS N N 43 120.461 120.700 -0.239 2
1 490 . 1 1 A 44 44 ASN H H 44 8.892 8.260 0.632 2
1 491 . 1 1 A 44 44 ASN HA H 44 4.690 4.623 0.067 2
1 496 . 1 1 A 44 44 ASN C C 44 176.922 175.650 1.272 2
1 497 . 1 1 A 44 44 ASN CA C 44 52.256 53.156 -0.900 2
1 498 . 1 1 A 44 44 ASN CB C 44 40.451 39.516 0.935 2
1 499 . 1 1 A 44 44 ASN N N 44 119.869 121.666 -1.797 2
1 501 . 1 1 A 45 45 ILE H H 45 8.543 8.251 0.292 2
1 502 . 1 1 A 45 45 ILE HA H 45 3.887 3.643 0.244 2
1 511 . 1 1 A 45 45 ILE C C 45 176.137 177.041 -0.904 2
1 512 . 1 1 A 45 45 ILE CA C 45 65.116 64.196 0.920 2
1 513 . 1 1 A 45 45 ILE CB C 45 36.637 37.514 -0.877 2
1 517 . 1 1 A 45 45 ILE N N 45 129.131 127.379 1.752 2
1 518 . 1 1 A 46 46 VAL H H 46 9.059 7.336 1.723 2
1 519 . 1 1 A 46 46 VAL HA H 46 3.439 3.741 -0.302 2
1 527 . 1 1 A 46 46 VAL C C 46 178.407 178.172 0.235 2
1 528 . 1 1 A 46 46 VAL CA C 46 65.705 65.399 0.306 2
1 529 . 1 1 A 46 46 VAL CB C 46 31.022 31.168 -0.146 2
1 532 . 1 1 A 46 46 VAL N N 46 118.981 117.674 1.307 2
1 533 . 1 1 A 47 47 GLU H H 47 7.923 8.362 -0.439 2
1 534 . 1 1 A 47 47 GLU HA H 47 3.989 3.912 0.077 2
1 539 . 1 1 A 47 47 GLU C C 47 177.664 178.514 -0.850 2
1 540 . 1 1 A 47 47 GLU CA C 47 57.999 59.077 -1.078 2
1 541 . 1 1 A 47 47 GLU CB C 47 28.849 28.996 -0.147 2
1 543 . 1 1 A 47 47 GLU N N 47 117.733 121.478 -3.745 2
1 544 . 1 1 A 48 48 PHE H H 48 7.689 7.440 0.249 2
1 545 . 1 1 A 48 48 PHE HA H 48 4.177 4.234 -0.057 2
1 553 . 1 1 A 48 48 PHE C C 48 172.739 175.854 -3.115 2
1 554 . 1 1 A 48 48 PHE CA C 48 57.725 59.651 -1.926 2
1 555 . 1 1 A 48 48 PHE CB C 48 39.428 39.404 0.024 2
1 561 . 1 1 A 48 48 PHE N N 48 117.768 115.357 2.411 2
1 562 . 1 1 A 49 49 CYS H H 49 7.413 7.344 0.069 2
1 563 . 1 1 A 49 49 CYS HA H 49 5.671 5.010 0.661 2
1 566 . 1 1 A 49 49 CYS CA C 49 56.429 60.042 -3.613 2
1 567 . 1 1 A 49 49 CYS CB C 49 28.747 28.121 0.626 2
1 568 . 1 1 A 49 49 CYS N N 49 119.705 118.252 1.453 2
1 569 . 1 1 A 50 50 HIS H H 50 8.640 8.585 0.055 2
1 570 . 1 1 A 50 50 HIS HA H 50 3.655 4.020 -0.365 2
1 574 . 1 1 A 50 50 HIS CA C 50 56.934 54.814 2.120 2
1 575 . 1 1 A 50 50 HIS CB C 50 32.071 30.270 1.800 2
1 577 . 1 1 A 50 50 HIS N N 50 134.180 124.787 9.393 2
1 578 . 1 1 A 51 51 PRO HA H 51 4.044 4.157 -0.113 2
1 584 . 1 1 A 51 51 PRO C C 51 179.121 178.919 0.202 2
1 585 . 1 1 A 51 51 PRO CA C 51 65.989 66.089 -0.100 2
1 586 . 1 1 A 51 51 PRO CB C 51 32.605 31.610 0.995 2
1 589 . 1 1 A 52 52 GLU H H 52 10.986 8.755 2.231 2
1 590 . 1 1 A 52 52 GLU HA H 52 4.125 4.117 0.008 2
1 595 . 1 1 A 52 52 GLU C C 52 177.643 177.245 0.397 2
1 596 . 1 1 A 52 52 GLU CA C 52 58.522 58.982 -0.460 2
1 597 . 1 1 A 52 52 GLU CB C 52 29.347 28.873 0.474 2
1 599 . 1 1 A 52 52 GLU N N 52 119.351 117.743 1.608 2
1 600 . 1 1 A 53 53 ASP H H 53 8.203 8.123 0.080 2
1 601 . 1 1 A 53 53 ASP HA H 53 4.898 4.646 0.252 2
1 604 . 1 1 A 53 53 ASP C C 53 175.641 177.227 -1.586 2
1 605 . 1 1 A 53 53 ASP CA C 53 54.092 54.656 -0.564 2
1 606 . 1 1 A 53 53 ASP CB C 53 43.596 41.752 1.843 2
1 607 . 1 1 A 53 53 ASP N N 53 117.757 117.664 0.093 2
1 608 . 1 1 A 54 54 GLN H H 54 6.922 7.968 -1.046 2
1 609 . 1 1 A 54 54 GLN HA H 54 3.985 3.957 0.028 2
1 616 . 1 1 A 54 54 GLN C C 54 177.417 178.671 -1.254 2
1 617 . 1 1 A 54 54 GLN CA C 54 60.084 58.903 1.181 2
1 618 . 1 1 A 54 54 GLN CB C 54 28.448 28.223 0.225 2
1 620 . 1 1 A 54 54 GLN N N 54 118.680 119.423 -0.743 2
1 622 . 1 1 A 55 55 GLN H H 55 8.663 7.955 0.708 2
1 623 . 1 1 A 55 55 GLN HA H 55 3.778 4.040 -0.262 2
1 630 . 1 1 A 55 55 GLN C C 55 177.398 178.110 -0.712 2
1 631 . 1 1 A 55 55 GLN CA C 55 58.812 58.553 0.259 2
1 632 . 1 1 A 55 55 GLN CB C 55 27.402 28.471 -1.069 2
1 634 . 1 1 A 55 55 GLN N N 55 119.173 119.963 -0.790 2
1 636 . 1 1 A 56 56 LEU H H 56 7.935 7.661 0.274 2
1 637 . 1 1 A 56 56 LEU HA H 56 4.071 4.076 -0.005 2
1 647 . 1 1 A 56 56 LEU C C 56 180.037 178.034 2.003 2
1 648 . 1 1 A 56 56 LEU CA C 56 57.698 57.463 0.235 2
1 649 . 1 1 A 56 56 LEU CB C 56 41.586 42.158 -0.572 2
1 653 . 1 1 A 56 56 LEU N N 56 119.661 120.682 -1.021 2
1 654 . 1 1 A 57 57 LEU H H 57 7.382 7.931 -0.548 2
1 655 . 1 1 A 57 57 LEU HA H 57 3.575 3.624 -0.049 2
1 665 . 1 1 A 57 57 LEU C C 57 178.470 178.195 0.275 2
1 666 . 1 1 A 57 57 LEU CA C 57 57.703 58.103 -0.400 2
1 667 . 1 1 A 57 57 LEU CB C 57 42.077 41.521 0.556 2
1 671 . 1 1 A 57 57 LEU N N 57 119.857 119.853 0.004 2
1 672 . 1 1 A 58 58 ARG H H 58 8.118 8.553 -0.435 2
1 673 . 1 1 A 58 58 ARG HA H 58 3.338 3.865 -0.527 2
1 680 . 1 1 A 58 58 ARG C C 58 179.713 178.665 1.048 2
1 681 . 1 1 A 58 58 ARG CA C 58 60.120 59.638 0.482 2
1 682 . 1 1 A 58 58 ARG CB C 58 30.320 29.862 0.458 2
1 685 . 1 1 A 58 58 ARG N N 58 118.198 117.857 0.341 2
1 686 . 1 1 A 59 59 ASP H H 59 8.748 8.028 0.720 2
1 687 . 1 1 A 59 59 ASP HA H 59 4.336 4.272 0.064 2
1 690 . 1 1 A 59 59 ASP C C 59 179.130 177.841 1.289 2
1 691 . 1 1 A 59 59 ASP CA C 59 57.197 57.575 -0.378 2
1 692 . 1 1 A 59 59 ASP CB C 59 40.212 41.792 -1.580 2
1 693 . 1 1 A 59 59 ASP N N 59 119.165 119.862 -0.697 2
1 694 . 1 1 A 60 60 SER H H 60 7.552 8.017 -0.465 2
1 695 . 1 1 A 60 60 SER HA H 60 4.116 4.083 0.032 2
1 698 . 1 1 A 60 60 SER C C 60 175.883 177.430 -1.547 2
1 699 . 1 1 A 60 60 SER CA C 60 61.975 61.318 0.657 2
1 700 . 1 1 A 60 60 SER CB C 60 63.098 62.190 0.908 2
1 701 . 1 1 A 60 60 SER N N 60 117.761 114.604 3.157 2
1 702 . 1 1 A 61 61 PHE H H 61 7.063 7.457 -0.394 2
1 703 . 1 1 A 61 61 PHE HA H 61 4.614 4.384 0.230 2
1 711 . 1 1 A 61 61 PHE C C 61 177.561 178.399 -0.838 2
1 712 . 1 1 A 61 61 PHE CA C 61 56.777 61.844 -5.067 2
1 713 . 1 1 A 61 61 PHE CB C 61 36.564 38.327 -1.763 2
1 719 . 1 1 A 61 61 PHE N N 61 122.009 119.330 2.679 2
1 720 . 1 1 A 62 62 GLN H H 62 7.376 8.353 -0.977 2
1 721 . 1 1 A 62 62 GLN HA H 62 4.038 4.015 0.023 2
1 726 . 1 1 A 62 62 GLN C C 62 179.093 178.847 0.245 2
1 727 . 1 1 A 62 62 GLN CA C 62 58.240 59.293 -1.053 2
1 728 . 1 1 A 62 62 GLN CB C 62 28.094 28.337 -0.243 2
1 730 . 1 1 A 62 62 GLN N N 62 114.929 118.467 -3.538 2
1 731 . 1 1 A 63 63 GLN H H 63 7.893 7.828 0.065 2
1 732 . 1 1 A 63 63 GLN HA H 63 4.083 4.201 -0.118 2
1 737 . 1 1 A 63 63 GLN C C 63 178.244 178.574 -0.330 2
1 738 . 1 1 A 63 63 GLN CA C 63 58.408 58.288 0.120 2
1 739 . 1 1 A 63 63 GLN CB C 63 28.755 28.583 0.172 2
1 741 . 1 1 A 63 63 GLN N N 63 117.434 120.144 -2.710 2
1 742 . 1 1 A 64 64 VAL H H 64 8.220 8.137 0.083 2
1 743 . 1 1 A 64 64 VAL HA H 64 3.663 4.111 -0.448 2
1 751 . 1 1 A 64 64 VAL C C 64 177.137 178.057 -0.920 2
1 752 . 1 1 A 64 64 VAL CA C 64 66.107 65.553 0.554 2
1 753 . 1 1 A 64 64 VAL CB C 64 31.475 31.592 -0.117 2
1 756 . 1 1 A 64 64 VAL N N 64 118.766 117.262 1.504 2
1 757 . 1 1 A 65 65 VAL H H 65 6.860 7.627 -0.767 2
1 758 . 1 1 A 65 65 VAL HA H 65 3.833 3.902 -0.069 2
1 766 . 1 1 A 65 65 VAL C C 65 177.624 177.937 -0.313 2
1 767 . 1 1 A 65 65 VAL CA C 65 64.200 64.763 -0.563 2
1 768 . 1 1 A 65 65 VAL CB C 65 31.730 31.765 -0.035 2
1 771 . 1 1 A 65 65 VAL N N 65 112.590 122.370 -9.780 2
1 772 . 1 1 A 66 66 LYS H H 66 7.431 7.829 -0.398 2
1 773 . 1 1 A 66 66 LYS HA H 66 4.184 3.997 0.187 2
1 782 . 1 1 A 66 66 LYS C C 66 177.374 178.252 -0.878 2
1 783 . 1 1 A 66 66 LYS CA C 66 58.190 59.701 -1.511 2
1 784 . 1 1 A 66 66 LYS CB C 66 33.232 32.406 0.826 2
1 788 . 1 1 A 66 66 LYS N N 66 119.643 122.016 -2.373 2
1 789 . 1 1 A 67 67 LEU H H 67 7.859 8.143 -0.284 2
1 790 . 1 1 A 67 67 LEU HA H 67 4.552 4.320 0.232 2
1 800 . 1 1 A 67 67 LEU C C 67 175.532 175.949 -0.417 2
1 801 . 1 1 A 67 67 LEU CA C 67 53.108 55.232 -2.124 2
1 802 . 1 1 A 67 67 LEU CB C 67 40.979 41.768 -0.789 2
1 806 . 1 1 A 67 67 LEU N N 67 121.288 118.043 3.245 2
1 807 . 1 1 A 68 68 LYS H H 68 7.475 8.144 -0.669 2
1 808 . 1 1 A 68 68 LYS HA H 68 4.156 4.122 0.034 2
1 817 . 1 1 A 68 68 LYS C C 68 177.987 176.177 1.810 2
1 818 . 1 1 A 68 68 LYS CA C 68 58.388 57.325 1.063 2
1 819 . 1 1 A 68 68 LYS CB C 68 32.207 31.302 0.904 2
1 823 . 1 1 A 68 68 LYS N N 68 119.626 117.686 1.940 2
1 824 . 1 1 A 69 69 GLY H H 69 8.696 8.209 0.487 2
1 825 . 1 1 A 69 69 GLY HA2 H 69 4.294 4.051 0.243 2
1 826 . 1 1 A 69 69 GLY HA3 H 69 3.896 4.055 -0.159 2
1 827 . 1 1 A 69 69 GLY CA C 69 45.335 45.187 0.148 2
1 828 . 1 1 A 69 69 GLY N N 69 113.681 107.976 5.705 2
1 829 . 1 1 A 70 70 GLN H H 70 8.031 7.869 0.162 2
1 830 . 1 1 A 70 70 GLN HA H 70 4.508 4.269 0.239 2
1 835 . 1 1 A 70 70 GLN C C 70 174.684 175.238 -0.554 2
1 836 . 1 1 A 70 70 GLN CA C 70 55.347 56.462 -1.115 2
1 837 . 1 1 A 70 70 GLN CB C 70 30.111 29.378 0.733 2
1 839 . 1 1 A 70 70 GLN N N 70 119.949 121.847 -1.898 2
1 840 . 1 1 A 71 71 VAL H H 71 8.232 8.479 -0.247 2
1 841 . 1 1 A 71 71 VAL HA H 71 4.822 4.654 0.168 2
1 849 . 1 1 A 71 71 VAL C C 71 176.406 175.013 1.393 2
1 850 . 1 1 A 71 71 VAL CA C 71 61.198 62.360 -1.162 2
1 851 . 1 1 A 71 71 VAL CB C 71 32.964 32.694 0.270 2
1 854 . 1 1 A 71 71 VAL N N 71 121.816 126.691 -4.875 2
1 855 . 1 1 A 72 72 LEU H H 72 9.052 9.227 -0.175 2
1 856 . 1 1 A 72 72 LEU HA H 72 4.827 5.236 -0.409 2
1 865 . 1 1 A 72 72 LEU C C 72 175.411 175.620 -0.209 2
1 866 . 1 1 A 72 72 LEU CA C 72 52.895 53.420 -0.525 2
1 867 . 1 1 A 72 72 LEU CB C 72 44.755 45.223 -0.468 2
1 870 . 1 1 A 72 72 LEU N N 72 130.331 129.183 1.148 2
1 871 . 1 1 A 73 73 SER H H 73 8.057 9.031 -0.974 2
1 872 . 1 1 A 73 73 SER HA H 73 5.211 5.768 -0.557 2
1 875 . 1 1 A 73 73 SER C C 73 174.562 173.076 1.486 2
1 876 . 1 1 A 73 73 SER CA C 73 56.591 56.735 -0.144 2
1 877 . 1 1 A 73 73 SER CB C 73 66.336 64.941 1.395 2
1 878 . 1 1 A 73 73 SER N N 73 113.040 118.787 -5.747 2
1 879 . 1 1 A 74 74 VAL H H 74 8.799 8.685 0.114 2
1 880 . 1 1 A 74 74 VAL HA H 74 4.705 4.980 -0.275 2
1 888 . 1 1 A 74 74 VAL C C 74 174.122 174.005 0.117 2
1 889 . 1 1 A 74 74 VAL CA C 74 59.403 59.540 -0.137 2
1 890 . 1 1 A 74 74 VAL CB C 74 35.474 35.798 -0.324 2
1 893 . 1 1 A 74 74 VAL N N 74 122.721 122.042 0.679 2
1 894 . 1 1 A 75 75 MET H H 75 8.195 8.803 -0.608 2
1 895 . 1 1 A 75 75 MET HA H 75 5.922 6.062 -0.140 2
1 903 . 1 1 A 75 75 MET C C 75 175.531 175.665 -0.133 2
1 904 . 1 1 A 75 75 MET CA C 75 54.021 54.025 -0.004 2
1 905 . 1 1 A 75 75 MET CB C 75 34.750 34.058 0.692 2
1 908 . 1 1 A 75 75 MET N N 75 120.057 123.690 -3.633 2
1 909 . 1 1 A 76 76 PHE H H 76 9.394 9.095 0.299 2
1 910 . 1 1 A 76 76 PHE HA H 76 5.004 5.150 -0.146 2
1 918 . 1 1 A 76 76 PHE C C 76 171.623 172.346 -0.723 2
1 919 . 1 1 A 76 76 PHE CA C 76 55.802 55.478 0.324 2
1 920 . 1 1 A 76 76 PHE CB C 76 42.072 41.997 0.075 2
1 926 . 1 1 A 76 76 PHE N N 76 120.244 120.040 0.204 2
1 927 . 1 1 A 77 77 ARG H H 77 8.783 8.244 0.539 2
1 928 . 1 1 A 77 77 ARG HA H 77 4.420 4.205 0.215 2
1 936 . 1 1 A 77 77 ARG C C 77 173.455 174.573 -1.118 2
1 937 . 1 1 A 77 77 ARG CA C 77 54.218 55.054 -0.836 2
1 938 . 1 1 A 77 77 ARG CB C 77 32.439 30.256 2.183 2
1 941 . 1 1 A 77 77 ARG N N 77 121.379 118.942 2.437 2
1 943 . 1 1 A 78 78 PHE H H 78 9.258 9.216 0.042 2
1 944 . 1 1 A 78 78 PHE HA H 78 5.438 5.169 0.269 2
1 952 . 1 1 A 78 78 PHE C C 78 175.873 174.489 1.384 2
1 953 . 1 1 A 78 78 PHE CA C 78 55.173 56.825 -1.652 2
1 954 . 1 1 A 78 78 PHE CB C 78 44.530 39.815 4.715 2
1 960 . 1 1 A 78 78 PHE N N 78 128.097 126.360 1.737 2
1 961 . 1 1 A 79 79 ARG H H 79 9.242 8.869 0.373 2
1 962 . 1 1 A 79 79 ARG HA H 79 4.201 4.639 -0.438 2
1 969 . 1 1 A 79 79 ARG C C 79 175.316 176.267 -0.951 2
1 970 . 1 1 A 79 79 ARG CA C 79 55.255 56.657 -1.402 2
1 971 . 1 1 A 79 79 ARG CB C 79 29.358 30.453 -1.095 2
1 974 . 1 1 A 79 79 ARG N N 79 129.898 130.465 -0.567 2
1 975 . 1 1 A 80 80 SER H H 80 9.253 8.775 0.478 2
1 976 . 1 1 A 80 80 SER HA H 80 4.772 5.130 -0.358 2
1 979 . 1 1 A 80 80 SER C C 80 174.983 175.633 -0.650 2
1 980 . 1 1 A 80 80 SER CA C 80 58.191 57.851 0.340 2
1 981 . 1 1 A 80 80 SER CB C 80 64.930 64.882 0.048 2
1 982 . 1 1 A 80 80 SER N N 80 128.002 123.072 4.930 2
1 983 . 1 1 A 81 81 LYS H H 81 8.065 8.836 -0.771 2
1 984 . 1 1 A 81 81 LYS HA H 81 3.675 3.565 0.110 2
1 993 . 1 1 A 81 81 LYS C C 81 177.417 177.605 -0.188 2
1 994 . 1 1 A 81 81 LYS CA C 81 59.236 58.736 0.500 2
1 995 . 1 1 A 81 81 LYS CB C 81 31.641 31.949 -0.308 2
1 999 . 1 1 A 81 81 LYS N N 81 123.505 123.214 0.291 2
1 1000 . 1 1 A 82 82 ASN H H 82 7.934 7.760 0.174 2
1 1001 . 1 1 A 82 82 ASN HA H 82 4.679 4.739 -0.060 2
1 1006 . 1 1 A 82 82 ASN C C 82 173.949 174.307 -0.358 2
1 1007 . 1 1 A 82 82 ASN CA C 82 52.764 52.693 0.071 2
1 1008 . 1 1 A 82 82 ASN CB C 82 37.428 38.363 -0.935 2
1 1009 . 1 1 A 82 82 ASN N N 82 115.202 114.231 0.971 2
1 1011 . 1 1 A 83 83 GLN H H 83 8.099 8.138 -0.039 2
1 1012 . 1 1 A 83 83 GLN HA H 83 3.382 3.764 -0.383 2
1 1019 . 1 1 A 83 83 GLN C C 83 174.208 174.005 0.203 2
1 1020 . 1 1 A 83 83 GLN CA C 83 56.400 56.854 -0.454 2
1 1021 . 1 1 A 83 83 GLN CB C 83 25.003 26.130 -1.127 2
1 1023 . 1 1 A 83 83 GLN N N 83 112.357 115.615 -3.258 2
1 1025 . 1 1 A 84 84 GLU H H 84 7.385 7.610 -0.225 2
1 1026 . 1 1 A 84 84 GLU HA H 84 4.322 4.702 -0.380 2
1 1031 . 1 1 A 84 84 GLU CA C 84 54.720 54.752 -0.032 2
1 1032 . 1 1 A 84 84 GLU CB C 84 31.713 32.493 -0.780 2
1 1034 . 1 1 A 84 84 GLU N N 84 117.557 116.705 0.852 2
1 1035 . 1 1 A 85 85 TRP H H 85 8.645 8.726 -0.081 2
1 1036 . 1 1 A 85 85 TRP HA H 85 5.145 4.801 0.344 2
1 1045 . 1 1 A 85 85 TRP C C 85 175.772 175.721 0.050 2
1 1046 . 1 1 A 85 85 TRP CA C 85 55.591 57.052 -1.461 2
1 1047 . 1 1 A 85 85 TRP CB C 85 30.113 28.089 2.024 2
1 1053 . 1 1 A 85 85 TRP N N 85 121.388 123.422 -2.034 2
1 1055 . 1 1 A 86 86 LEU H H 86 9.348 8.761 0.587 2
1 1056 . 1 1 A 86 86 LEU HA H 86 4.847 4.786 0.061 2
1 1066 . 1 1 A 86 86 LEU C C 86 176.991 176.398 0.593 2
1 1067 . 1 1 A 86 86 LEU CA C 86 53.102 54.443 -1.341 2
1 1068 . 1 1 A 86 86 LEU CB C 86 44.527 41.508 3.019 2
1 1071 . 1 1 A 86 86 LEU N N 86 126.537 125.807 0.730 2
1 1072 . 1 1 A 87 87 TRP H H 87 8.870 8.875 -0.005 2
1 1073 . 1 1 A 87 87 TRP HA H 87 4.465 4.968 -0.502 2
1 1082 . 1 1 A 87 87 TRP C C 87 175.731 176.939 -1.208 2
1 1083 . 1 1 A 87 87 TRP CA C 87 59.207 58.433 0.774 2
1 1084 . 1 1 A 87 87 TRP CB C 87 29.736 30.324 -0.588 2
1 1090 . 1 1 A 87 87 TRP N N 87 123.902 126.809 -2.907 2
1 1092 . 1 1 A 88 88 MET H H 88 9.432 9.102 0.330 2
1 1093 . 1 1 A 88 88 MET HA H 88 5.267 5.559 -0.292 2
1 1101 . 1 1 A 88 88 MET C C 88 174.713 174.203 0.510 2
1 1102 . 1 1 A 88 88 MET CA C 88 52.557 54.296 -1.739 2
1 1103 . 1 1 A 88 88 MET CB C 88 36.139 37.365 -1.226 2
1 1106 . 1 1 A 88 88 MET N N 88 123.412 121.445 1.967 2
1 1107 . 1 1 A 89 89 ARG H H 89 9.282 8.991 0.291 2
1 1108 . 1 1 A 89 89 ARG HA H 89 5.702 5.203 0.499 2
1 1115 . 1 1 A 89 89 ARG C C 89 177.137 175.753 1.384 2
1 1116 . 1 1 A 89 89 ARG CA C 89 54.266 54.723 -0.457 2
1 1117 . 1 1 A 89 89 ARG CB C 89 34.404 32.240 2.164 2
1 1120 . 1 1 A 89 89 ARG N N 89 119.570 121.168 -1.598 2
1 1121 . 1 1 A 90 90 THR H H 90 9.298 9.128 0.170 2
1 1122 . 1 1 A 90 90 THR HA H 90 5.625 5.283 0.342 2
1 1127 . 1 1 A 90 90 THR C C 90 176.787 174.397 2.390 2
1 1128 . 1 1 A 90 90 THR CA C 90 60.327 60.480 -0.153 2
1 1129 . 1 1 A 90 90 THR CB C 90 72.187 70.403 1.784 2
1 1131 . 1 1 A 90 90 THR N N 90 115.133 117.665 -2.532 2
1 1132 . 1 1 A 91 91 SER H H 91 8.194 8.766 -0.572 2
1 1133 . 1 1 A 91 91 SER HA H 91 4.860 5.167 -0.307 2
1 1136 . 1 1 A 91 91 SER C C 91 175.171 173.281 1.890 2
1 1137 . 1 1 A 91 91 SER CA C 91 59.224 57.231 1.993 2
1 1138 . 1 1 A 91 91 SER CB C 91 64.094 63.446 0.648 2
1 1139 . 1 1 A 91 91 SER N N 91 114.043 121.196 -7.153 2
1 1140 . 1 1 A 92 92 SER H H 92 9.864 8.084 1.780 2
1 1141 . 1 1 A 92 92 SER HA H 92 6.204 5.047 1.157 2
1 1144 . 1 1 A 92 92 SER C C 92 171.748 174.074 -2.326 2
1 1145 . 1 1 A 92 92 SER CA C 92 58.818 59.541 -0.723 2
1 1146 . 1 1 A 92 92 SER CB C 92 66.419 64.077 2.342 2
1 1147 . 1 1 A 92 92 SER N N 92 125.442 121.742 3.700 2
1 1148 . 1 1 A 93 93 GLN H H 93 8.873 8.710 0.163 2
1 1149 . 1 1 A 93 93 GLN HA H 93 5.048 5.036 0.012 2
1 1156 . 1 1 A 93 93 GLN C C 93 174.145 174.555 -0.410 2
1 1157 . 1 1 A 93 93 GLN CA C 93 54.262 54.499 -0.237 2
1 1158 . 1 1 A 93 93 GLN CB C 93 33.131 32.476 0.655 2
1 1160 . 1 1 A 93 93 GLN N N 93 117.328 122.187 -4.859 2
1 1162 . 1 1 A 94 94 THR H H 94 8.846 8.609 0.237 2
1 1163 . 1 1 A 94 94 THR HA H 94 3.979 4.567 -0.588 2
1 1168 . 1 1 A 94 94 THR C C 94 174.677 174.579 0.098 2
1 1169 . 1 1 A 94 94 THR CA C 94 64.467 62.613 1.854 2
1 1170 . 1 1 A 94 94 THR CB C 94 68.894 69.121 -0.227 2
1 1172 . 1 1 A 94 94 THR N N 94 116.526 113.041 3.485 2
1 1173 . 1 1 A 95 95 ALA H H 95 8.188 8.542 -0.354 2
1 1174 . 1 1 A 95 95 ALA HA H 95 4.161 4.324 -0.163 2
1 1178 . 1 1 A 95 95 ALA C C 95 176.285 177.716 -1.431 2
1 1179 . 1 1 A 95 95 ALA CA C 95 51.847 52.332 -0.485 2
1 1180 . 1 1 A 95 95 ALA CB C 95 18.999 20.194 -1.195 2
1 1181 . 1 1 A 95 95 ALA N N 95 126.311 128.379 -2.068 2
1 1182 . 1 1 A 96 96 GLN H H 96 8.324 8.644 -0.320 2
1 1183 . 1 1 A 96 96 GLN HA H 96 4.175 4.321 -0.146 2
1 1190 . 1 1 A 96 96 GLN C C 96 176.230 175.719 0.511 2
1 1191 . 1 1 A 96 96 GLN CA C 96 54.621 56.969 -2.348 2
1 1192 . 1 1 A 96 96 GLN CB C 96 30.003 29.064 0.939 2
1 1194 . 1 1 A 96 96 GLN N N 96 116.920 118.835 -1.915 2
1 1196 . 1 1 A 97 97 ASN H H 97 8.512 7.897 0.615 2
1 1197 . 1 1 A 97 97 ASN HA H 97 4.436 4.717 -0.281 2
1 1200 . 1 1 A 97 97 ASN CA C 97 52.928 51.336 1.592 2
1 1201 . 1 1 A 97 97 ASN CB C 97 37.851 40.240 -2.389 2
1 1202 . 1 1 A 97 97 ASN N N 97 119.656 114.610 5.046 2
1 1203 . 1 1 A 98 98 PRO HA H 98 4.566 4.352 0.214 2
1 1210 . 1 1 A 98 98 PRO C C 98 175.164 175.935 -0.771 2
1 1211 . 1 1 A 98 98 PRO CA C 98 63.824 63.624 0.200 2
1 1212 . 1 1 A 98 98 PRO CB C 98 32.473 32.427 0.046 2
1 1215 . 1 1 A 99 99 TYR H H 99 8.780 7.234 1.546 2
1 1216 . 1 1 A 99 99 TYR HA H 99 4.996 4.698 0.298 2
1 1223 . 1 1 A 99 99 TYR C C 99 176.421 176.249 0.172 2
1 1224 . 1 1 A 99 99 TYR CA C 99 55.837 57.619 -1.782 2
1 1225 . 1 1 A 99 99 TYR CB C 99 37.199 37.768 -0.569 2
1 1230 . 1 1 A 99 99 TYR N N 99 127.975 119.085 8.890 2
1 1231 . 1 1 A 100 100 SER H H 100 7.655 8.058 -0.403 2
1 1232 . 1 1 A 100 100 SER HA H 100 4.274 4.415 -0.141 2
1 1235 . 1 1 A 100 100 SER C C 100 174.144 176.409 -2.264 2
1 1236 . 1 1 A 100 100 SER CA C 100 60.567 61.317 -0.750 2
1 1237 . 1 1 A 100 100 SER CB C 100 63.266 62.984 0.282 2
1 1238 . 1 1 A 100 100 SER N N 100 113.164 117.316 -4.152 2
1 1239 . 1 1 A 101 101 ASP H H 101 8.736 8.217 0.519 2
1 1240 . 1 1 A 101 101 ASP HA H 101 4.688 4.554 0.134 2
1 1243 . 1 1 A 101 101 ASP C C 101 175.535 176.562 -1.027 2
1 1244 . 1 1 A 101 101 ASP CA C 101 54.103 55.652 -1.549 2
1 1245 . 1 1 A 101 101 ASP CB C 101 40.098 40.465 -0.367 2
1 1246 . 1 1 A 101 101 ASP N N 101 118.476 119.510 -1.034 2
1 1247 . 1 1 A 102 102 GLU H H 102 8.127 8.383 -0.256 2
1 1248 . 1 1 A 102 102 GLU HA H 102 4.448 4.721 -0.273 2
1 1253 . 1 1 A 102 102 GLU CA C 102 54.963 55.436 -0.473 2
1 1254 . 1 1 A 102 102 GLU CB C 102 31.769 31.601 0.168 2
1 1256 . 1 1 A 102 102 GLU N N 102 119.744 118.452 1.292 2
1 1257 . 1 1 A 103 103 ILE H H 103 8.645 8.543 0.102 2
1 1258 . 1 1 A 103 103 ILE HA H 103 4.001 4.708 -0.707 2
1 1268 . 1 1 A 103 103 ILE C C 103 174.065 174.555 -0.490 2
1 1269 . 1 1 A 103 103 ILE CA C 103 60.418 60.861 -0.443 2
1 1270 . 1 1 A 103 103 ILE CB C 103 40.781 40.684 0.097 2
1 1274 . 1 1 A 103 103 ILE N N 103 121.388 120.712 0.676 2
1 1275 . 1 1 A 104 104 GLU H H 104 8.957 9.102 -0.145 2
1 1276 . 1 1 A 104 104 GLU HA H 104 5.099 4.554 0.545 2
1 1281 . 1 1 A 104 104 GLU C C 104 175.093 175.266 -0.173 2
1 1282 . 1 1 A 104 104 GLU CA C 104 54.898 56.230 -1.332 2
1 1283 . 1 1 A 104 104 GLU CB C 104 32.330 30.084 2.246 2
1 1285 . 1 1 A 104 104 GLU N N 104 125.935 128.443 -2.508 2
1 1286 . 1 1 A 105 105 THR H H 105 8.774 8.832 -0.058 2
1 1287 . 1 1 A 105 105 THR HA H 105 5.226 4.987 0.239 2
1 1292 . 1 1 A 105 105 THR C C 105 174.876 173.719 1.157 2
1 1293 . 1 1 A 105 105 THR CA C 105 61.469 62.262 -0.793 2
1 1294 . 1 1 A 105 105 THR CB C 105 70.382 69.979 0.403 2
1 1296 . 1 1 A 105 105 THR N N 105 127.200 121.340 5.860 2
1 1297 . 1 1 A 106 106 ILE H H 106 9.186 8.973 0.213 2
1 1298 . 1 1 A 106 106 ILE HA H 106 4.486 4.604 -0.118 2
1 1308 . 1 1 A 106 106 ILE C C 106 175.412 175.185 0.227 2
1 1309 . 1 1 A 106 106 ILE CA C 106 61.423 60.501 0.922 2
1 1310 . 1 1 A 106 106 ILE CB C 106 38.432 37.647 0.785 2
1 1313 . 1 1 A 106 106 ILE N N 106 107.991 128.376 -20.385 2
1 1314 . 1 1 A 107 107 ILE H H 107 8.431 8.284 0.147 2
1 1315 . 1 1 A 107 107 ILE HA H 107 4.239 4.440 -0.201 2
1 1325 . 1 1 A 107 107 ILE C C 107 173.805 174.654 -0.849 2
1 1326 . 1 1 A 107 107 ILE CA C 107 61.459 60.745 0.714 2
1 1327 . 1 1 A 107 107 ILE CB C 107 37.499 36.965 0.535 2
1 1331 . 1 1 A 107 107 ILE N N 107 129.202 128.388 0.814 2
1 1332 . 1 1 A 108 108 CYS H H 108 8.581 9.176 -0.595 2
1 1333 . 1 1 A 108 108 CYS HA H 108 5.298 5.125 0.173 2
1 1336 . 1 1 A 108 108 CYS C C 108 174.235 173.972 0.263 2
1 1337 . 1 1 A 108 108 CYS CA C 108 55.861 56.946 -1.085 2
1 1338 . 1 1 A 108 108 CYS CB C 108 31.110 30.742 0.368 2
1 1339 . 1 1 A 108 108 CYS N N 108 124.561 128.078 -3.517 2
1 1340 . 1 1 A 109 109 THR H H 109 8.701 8.761 -0.060 2
1 1341 . 1 1 A 109 109 THR HA H 109 4.733 4.480 0.253 2
1 1346 . 1 1 A 109 109 THR C C 109 174.927 174.302 0.625 2
1 1347 . 1 1 A 109 109 THR CA C 109 63.466 62.369 1.097 2
1 1348 . 1 1 A 109 109 THR CB C 109 69.636 69.696 -0.060 2
1 1350 . 1 1 A 109 109 THR N N 109 119.017 117.993 1.024 2
1 1351 . 1 1 A 110 110 ASN H H 110 8.527 8.976 -0.449 2
1 1352 . 1 1 A 110 110 ASN HA H 110 4.891 4.972 -0.081 2
1 1357 . 1 1 A 110 110 ASN C C 110 174.829 174.810 0.019 2
1 1358 . 1 1 A 110 110 ASN CA C 110 53.104 53.606 -0.502 2
1 1359 . 1 1 A 110 110 ASN CB C 110 39.813 40.029 -0.216 2
1 1360 . 1 1 A 110 110 ASN N N 110 122.861 122.267 0.594 2
1 1362 . 1 1 A 111 111 THR H H 111 8.159 8.077 0.082 2
1 1363 . 1 1 A 111 111 THR HA H 111 4.407 4.489 -0.082 2
1 1368 . 1 1 A 111 111 THR C C 111 174.189 173.741 0.448 2
1 1369 . 1 1 A 111 111 THR CA C 111 61.900 61.799 0.101 2
1 1370 . 1 1 A 111 111 THR CB C 111 69.400 69.568 -0.168 2
1 1372 . 1 1 A 111 111 THR N N 111 114.879 113.065 1.814 2
1 1373 . 1 1 A 112 112 ASN H H 112 8.359 8.635 -0.276 2
1 1374 . 1 1 A 112 112 ASN N N 112 121.000 120.082 0.918 2
1 1375 . 1 1 A 117 117 SER C C 117 174.242 173.675 0.567 2
1 1376 . 1 1 A 117 117 SER CA C 117 58.557 58.422 0.135 2
1 1377 . 1 1 A 117 117 SER CB C 117 63.729 63.946 -0.217 2
1 1378 . 1 1 A 118 118 GLN H H 118 8.304 8.212 0.092 2
1 1379 . 1 1 A 118 118 GLN C C 118 174.889 175.309 -0.420 2
1 1380 . 1 1 A 118 118 GLN CA C 118 55.764 55.891 -0.127 2
1 1381 . 1 1 A 118 118 GLN CB C 118 29.659 29.708 -0.049 2
1 1382 . 1 1 A 118 118 GLN N N 118 122.171 120.806 1.365 2
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save_