data_16311_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16311
_Entry.PDB_ID 2KJ4
_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 VAL H H 2 7.944 7.979 -0.035 1
1 2 . 1 1 1 A 2 2 VAL HA H 2 4.035 4.110 -0.075 1
1 10 . 1 1 1 A 2 2 VAL C C 2 174.807 177.477 -2.670 1
1 11 . 1 1 1 A 2 2 VAL CA C 2 61.947 63.904 -1.957 1
1 12 . 1 1 1 A 2 2 VAL CB C 2 33.175 31.555 1.620 1
1 15 . 1 1 1 A 2 2 VAL N N 2 123.960 118.380 5.580 1
1 16 . 1 1 1 A 3 3 GLU H H 3 8.465 7.834 0.631 1
1 17 . 1 1 1 A 3 3 GLU HA H 3 4.168 3.931 0.237 1
1 22 . 1 1 1 A 3 3 GLU C C 3 175.888 177.172 -1.284 1
1 23 . 1 1 1 A 3 3 GLU CA C 3 56.487 59.180 -2.693 1
1 24 . 1 1 1 A 3 3 GLU CB C 3 30.349 29.143 1.206 1
1 26 . 1 1 1 A 3 3 GLU N N 3 125.549 121.097 4.452 1
1 27 . 1 1 1 A 4 4 PHE H H 4 8.330 7.125 1.205 1
1 28 . 1 1 1 A 4 4 PHE HA H 4 4.651 4.641 0.010 1
1 36 . 1 1 1 A 4 4 PHE C C 4 175.550 175.842 -0.292 1
1 37 . 1 1 1 A 4 4 PHE CA C 4 57.827 56.728 1.099 1
1 38 . 1 1 1 A 4 4 PHE CB C 4 39.623 37.689 1.934 1
1 44 . 1 1 1 A 4 4 PHE N N 4 121.869 118.168 3.701 1
1 45 . 1 1 1 A 5 5 SER H H 5 8.177 8.939 -0.762 1
1 46 . 1 1 1 A 5 5 SER HA H 5 4.395 4.301 0.094 1
1 49 . 1 1 1 A 5 5 SER C C 5 173.996 175.033 -1.037 1
1 50 . 1 1 1 A 5 5 SER CA C 5 58.045 61.297 -3.252 1
1 51 . 1 1 1 A 5 5 SER CB C 5 64.050 63.423 0.627 1
1 52 . 1 1 1 A 5 5 SER N N 5 117.865 121.524 -3.659 1
1 53 . 1 1 1 A 6 6 GLU H H 6 8.425 8.232 0.193 1
1 54 . 1 1 1 A 6 6 GLU HA H 6 4.290 4.475 -0.185 1
1 59 . 1 1 1 A 6 6 GLU C C 6 176.699 176.326 0.373 1
1 60 . 1 1 1 A 6 6 GLU CA C 6 56.479 57.275 -0.796 1
1 61 . 1 1 1 A 6 6 GLU CB C 6 30.715 28.833 1.882 1
1 63 . 1 1 1 A 6 6 GLU N N 6 122.791 120.089 2.702 1
1 64 . 1 1 1 A 7 7 GLU H H 7 8.421 9.125 -0.704 1
1 65 . 1 1 1 A 7 7 GLU HA H 7 4.742 4.884 -0.142 1
1 70 . 1 1 1 A 7 7 GLU C C 7 175.145 176.048 -0.903 1
1 71 . 1 1 1 A 7 7 GLU CA C 7 55.617 56.324 -0.707 1
1 72 . 1 1 1 A 7 7 GLU CB C 7 29.095 30.109 -1.014 1
1 74 . 1 1 1 A 7 7 GLU N N 7 122.775 123.665 -0.890 1
1 75 . 1 1 1 A 8 8 CYS H H 8 7.917 7.532 0.385 1
1 76 . 1 1 1 A 8 8 CYS HA H 8 4.969 5.078 -0.109 1
1 79 . 1 1 1 A 8 8 CYS C C 8 171.610 172.780 -1.170 1
1 80 . 1 1 1 A 8 8 CYS CA C 8 53.880 53.794 0.086 1
1 81 . 1 1 1 A 8 8 CYS CB C 8 43.144 45.605 -2.461 1
1 82 . 1 1 1 A 8 8 CYS N N 8 115.067 116.910 -1.843 1
1 83 . 1 1 1 A 9 9 MET H H 9 9.379 8.932 0.447 1
1 84 . 1 1 1 A 9 9 MET HA H 9 5.049 4.877 0.172 1
1 89 . 1 1 1 A 9 9 MET C C 9 174.038 175.348 -1.310 1
1 90 . 1 1 1 A 9 9 MET CA C 9 53.312 54.008 -0.696 1
1 91 . 1 1 1 A 9 9 MET CB C 9 36.165 33.347 2.818 1
1 93 . 1 1 1 A 9 9 MET N N 9 117.763 119.683 -1.920 1
1 94 . 1 1 1 A 10 10 HIS H H 10 9.610 8.348 1.262 1
1 95 . 1 1 1 A 10 10 HIS HA H 10 4.877 5.204 -0.327 1
1 102 . 1 1 1 A 10 10 HIS C C 10 176.698 175.533 1.165 1
1 103 . 1 1 1 A 10 10 HIS CA C 10 55.016 54.182 0.834 1
1 104 . 1 1 1 A 10 10 HIS CB C 10 31.116 32.551 -1.435 1
1 107 . 1 1 1 A 10 10 HIS N N 10 124.293 120.624 3.669 1
1 108 . 1 1 1 A 11 11 GLY H H 11 9.249 8.908 0.341 1
1 109 . 1 1 1 A 11 11 GLY HA2 H 11 4.104 3.813 0.291 1
1 110 . 1 1 1 A 11 11 GLY HA3 H 11 3.843 3.834 0.009 1
1 111 . 1 1 1 A 11 11 GLY C C 11 174.559 175.040 -0.481 1
1 112 . 1 1 1 A 11 11 GLY CA C 11 47.652 46.998 0.654 1
1 113 . 1 1 1 A 11 11 GLY N N 11 115.224 111.063 4.161 1
1 114 . 1 1 1 A 12 12 SER H H 12 8.999 8.646 0.353 1
1 115 . 1 1 1 A 12 12 SER HA H 12 4.653 4.497 0.156 1
1 118 . 1 1 1 A 12 12 SER C C 12 176.178 174.643 1.535 1
1 119 . 1 1 1 A 12 12 SER CA C 12 57.731 58.778 -1.047 1
1 120 . 1 1 1 A 12 12 SER CB C 12 63.439 63.995 -0.556 1
1 121 . 1 1 1 A 12 12 SER N N 12 121.965 121.827 0.138 1
1 122 . 1 1 1 A 13 13 GLY H H 13 9.022 7.847 1.175 1
1 123 . 1 1 1 A 13 13 GLY HA2 H 13 4.052 3.890 0.162 1
1 124 . 1 1 1 A 13 13 GLY HA3 H 13 3.957 3.894 0.063 1
1 125 . 1 1 1 A 13 13 GLY C C 13 176.178 175.408 0.770 1
1 126 . 1 1 1 A 13 13 GLY CA C 13 47.972 45.485 2.487 1
1 127 . 1 1 1 A 13 13 GLY N N 13 109.294 108.490 0.804 1
1 128 . 1 1 1 A 14 14 GLU H H 14 9.552 8.591 0.961 1
1 129 . 1 1 1 A 14 14 GLU HA H 14 4.347 4.419 -0.072 1
1 134 . 1 1 1 A 14 14 GLU C C 14 177.045 177.950 -0.905 1
1 135 . 1 1 1 A 14 14 GLU CA C 14 60.282 58.971 1.311 1
1 136 . 1 1 1 A 14 14 GLU CB C 14 29.145 29.465 -0.320 1
1 138 . 1 1 1 A 14 14 GLU N N 14 123.736 120.993 2.743 1
1 139 . 1 1 1 A 15 15 ASN H H 15 8.425 7.863 0.562 1
1 140 . 1 1 1 A 15 15 ASN HA H 15 5.030 4.862 0.168 1
1 144 . 1 1 1 A 15 15 ASN C C 15 174.848 175.359 -0.511 1
1 145 . 1 1 1 A 15 15 ASN CA C 15 51.725 53.465 -1.740 1
1 146 . 1 1 1 A 15 15 ASN CB C 15 38.404 39.115 -0.711 1
1 147 . 1 1 1 A 15 15 ASN N N 15 112.918 116.000 -3.082 1
1 150 . 1 1 1 A 16 16 TYR H H 16 7.622 7.630 -0.008 1
1 151 . 1 1 1 A 16 16 TYR HA H 16 4.445 4.750 -0.305 1
1 159 . 1 1 1 A 16 16 TYR C C 16 175.773 174.702 1.071 1
1 160 . 1 1 1 A 16 16 TYR CA C 16 60.125 56.783 3.342 1
1 161 . 1 1 1 A 16 16 TYR CB C 16 38.590 38.193 0.397 1
1 166 . 1 1 1 A 16 16 TYR N N 16 121.437 122.643 -1.206 1
1 167 . 1 1 1 A 17 17 ASP H H 17 8.722 8.903 -0.181 1
1 168 . 1 1 1 A 17 17 ASP HA H 17 4.599 4.791 -0.192 1
1 171 . 1 1 1 A 17 17 ASP C C 17 175.748 175.927 -0.179 1
1 172 . 1 1 1 A 17 17 ASP CA C 17 52.327 52.825 -0.498 1
1 173 . 1 1 1 A 17 17 ASP CB C 17 42.265 41.268 0.997 1
1 174 . 1 1 1 A 17 17 ASP N N 17 130.345 128.679 1.666 1
1 175 . 1 1 1 A 18 18 GLY H H 18 4.504 7.297 -2.793 1
1 176 . 1 1 1 A 18 18 GLY HA2 H 18 4.092 3.327 0.765 1
1 177 . 1 1 1 A 18 18 GLY HA3 H 18 3.786 3.758 0.028 1
1 178 . 1 1 1 A 18 18 GLY C C 18 174.732 174.333 0.399 1
1 179 . 1 1 1 A 18 18 GLY CA C 18 44.739 44.044 0.695 1
1 180 . 1 1 1 A 18 18 GLY N N 18 104.445 107.692 -3.247 1
1 181 . 1 1 1 A 19 19 LYS H H 19 9.272 8.151 1.121 1
1 182 . 1 1 1 A 19 19 LYS HA H 19 3.248 3.142 0.106 1
1 191 . 1 1 1 A 19 19 LYS C C 19 176.409 176.140 0.269 1
1 192 . 1 1 1 A 19 19 LYS CA C 19 55.454 54.695 0.759 1
1 193 . 1 1 1 A 19 19 LYS CB C 19 32.499 31.868 0.631 1
1 197 . 1 1 1 A 19 19 LYS N N 19 117.569 116.035 1.534 1
1 198 . 1 1 1 A 20 20 ILE H H 20 7.559 7.271 0.288 1
1 199 . 1 1 1 A 20 20 ILE HA H 20 3.991 4.090 -0.099 1
1 209 . 1 1 1 A 20 20 ILE C C 20 176.756 176.912 -0.156 1
1 210 . 1 1 1 A 20 20 ILE CA C 20 64.261 62.161 2.100 1
1 211 . 1 1 1 A 20 20 ILE CB C 20 36.212 37.606 -1.394 1
1 215 . 1 1 1 A 20 20 ILE N N 20 122.778 122.564 0.214 1
1 216 . 1 1 1 A 21 21 SER H H 21 8.817 8.981 -0.164 1
1 217 . 1 1 1 A 21 21 SER HA H 21 5.128 5.198 -0.070 1
1 220 . 1 1 1 A 21 21 SER C C 21 172.708 173.773 -1.065 1
1 221 . 1 1 1 A 21 21 SER CA C 21 57.513 57.780 -0.267 1
1 222 . 1 1 1 A 21 21 SER CB C 21 65.126 64.550 0.576 1
1 223 . 1 1 1 A 21 21 SER N N 21 122.859 120.509 2.350 1
1 224 . 1 1 1 A 22 22 LYS H H 22 7.150 7.765 -0.615 1
1 225 . 1 1 1 A 22 22 LYS HA H 22 5.530 5.447 0.083 1
1 234 . 1 1 1 A 22 22 LYS C C 22 176.120 176.771 -0.651 1
1 235 . 1 1 1 A 22 22 LYS CA C 22 53.471 54.823 -1.352 1
1 236 . 1 1 1 A 22 22 LYS CB C 22 37.049 35.696 1.353 1
1 240 . 1 1 1 A 22 22 LYS N N 22 119.681 121.029 -1.348 1
1 241 . 1 1 1 A 23 23 THR H H 23 9.134 8.958 0.176 1
1 242 . 1 1 1 A 23 23 THR HA H 23 4.630 4.792 -0.162 1
1 248 . 1 1 1 A 23 23 THR C C 23 177.971 175.933 2.038 1
1 249 . 1 1 1 A 23 23 THR CA C 23 61.032 60.587 0.445 1
1 250 . 1 1 1 A 23 23 THR CB C 23 70.818 71.144 -0.326 1
1 252 . 1 1 1 A 23 23 THR N N 23 111.072 114.600 -3.528 1
1 253 . 1 1 1 A 24 24 MET H H 24 9.383 9.259 0.124 1
1 254 . 1 1 1 A 24 24 MET HA H 24 4.168 4.233 -0.065 1
1 259 . 1 1 1 A 24 24 MET C C 24 176.122 176.727 -0.605 1
1 260 . 1 1 1 A 24 24 MET CA C 24 58.704 57.677 1.027 1
1 261 . 1 1 1 A 24 24 MET CB C 24 32.546 32.374 0.172 1
1 263 . 1 1 1 A 24 24 MET N N 24 118.120 119.602 -1.482 1
1 264 . 1 1 1 A 25 25 SER H H 25 7.763 7.914 -0.151 1
1 265 . 1 1 1 A 25 25 SER HA H 25 4.575 4.480 0.095 1
1 269 . 1 1 1 A 25 25 SER C C 25 174.848 175.248 -0.400 1
1 270 . 1 1 1 A 25 25 SER CA C 25 58.895 58.434 0.461 1
1 271 . 1 1 1 A 25 25 SER CB C 25 62.844 63.980 -1.136 1
1 272 . 1 1 1 A 25 25 SER N N 25 113.626 111.119 2.507 1
1 273 . 1 1 1 A 26 26 GLY H H 26 8.136 8.139 -0.003 1
1 274 . 1 1 1 A 26 26 GLY HA2 H 26 4.305 3.958 0.347 1
1 275 . 1 1 1 A 26 26 GLY HA3 H 26 3.503 3.965 -0.462 1
1 276 . 1 1 1 A 26 26 GLY C C 26 174.212 174.814 -0.602 1
1 277 . 1 1 1 A 26 26 GLY CA C 26 45.125 45.898 -0.773 1
1 278 . 1 1 1 A 26 26 GLY N N 26 110.819 111.304 -0.485 1
1 279 . 1 1 1 A 27 27 LEU H H 27 7.183 8.029 -0.846 1
1 280 . 1 1 1 A 27 27 LEU HA H 27 4.319 4.500 -0.181 1
1 290 . 1 1 1 A 27 27 LEU C C 27 176.178 176.560 -0.382 1
1 291 . 1 1 1 A 27 27 LEU CA C 27 54.211 54.464 -0.253 1
1 292 . 1 1 1 A 27 27 LEU CB C 27 42.260 42.608 -0.348 1
1 296 . 1 1 1 A 27 27 LEU N N 27 120.765 122.050 -1.285 1
1 297 . 1 1 1 A 28 28 GLU H H 28 8.699 8.637 0.062 1
1 298 . 1 1 1 A 28 28 GLU HA H 28 4.506 4.448 0.058 1
1 303 . 1 1 1 A 28 28 GLU C C 28 177.161 176.502 0.659 1
1 304 . 1 1 1 A 28 28 GLU CA C 28 56.451 56.360 0.091 1
1 305 . 1 1 1 A 28 28 GLU CB C 28 30.018 30.096 -0.078 1
1 307 . 1 1 1 A 28 28 GLU N N 28 122.582 120.794 1.788 1
1 308 . 1 1 1 A 29 29 CYS H H 29 8.624 8.970 -0.346 1
1 309 . 1 1 1 A 29 29 CYS HA H 29 4.812 4.904 -0.092 1
1 312 . 1 1 1 A 29 29 CYS C C 29 177.045 173.139 3.906 1
1 313 . 1 1 1 A 29 29 CYS CA C 29 55.189 56.287 -1.098 1
1 314 . 1 1 1 A 29 29 CYS CB C 29 37.938 42.954 -5.016 1
1 315 . 1 1 1 A 29 29 CYS N N 29 125.564 125.777 -0.213 1
1 316 . 1 1 1 A 30 30 GLN H H 30 9.664 9.082 0.582 1
1 317 . 1 1 1 A 30 30 GLN HA H 30 3.841 4.427 -0.586 1
1 324 . 1 1 1 A 30 30 GLN C C 30 175.310 175.874 -0.564 1
1 325 . 1 1 1 A 30 30 GLN CA C 30 55.501 55.275 0.226 1
1 326 . 1 1 1 A 30 30 GLN CB C 30 29.943 29.896 0.047 1
1 328 . 1 1 1 A 30 30 GLN N N 30 127.687 125.505 2.182 1
1 330 . 1 1 1 A 31 31 ALA H H 31 8.728 8.765 -0.037 1
1 331 . 1 1 1 A 31 31 ALA HA H 31 4.052 4.511 -0.459 1
1 335 . 1 1 1 A 31 31 ALA C C 31 178.722 178.670 0.052 1
1 336 . 1 1 1 A 31 31 ALA CA C 31 52.327 52.855 -0.528 1
1 337 . 1 1 1 A 31 31 ALA CB C 31 18.034 19.250 -1.216 1
1 338 . 1 1 1 A 31 31 ALA N N 31 128.680 128.696 -0.016 1
1 339 . 1 1 1 A 32 32 TRP H H 32 7.703 8.863 -1.160 1
1 340 . 1 1 1 A 32 32 TRP HA H 32 4.244 4.593 -0.349 1
1 349 . 1 1 1 A 32 32 TRP C C 32 177.566 177.483 0.083 1
1 350 . 1 1 1 A 32 32 TRP CA C 32 59.531 60.029 -0.498 1
1 351 . 1 1 1 A 32 32 TRP CB C 32 29.953 29.168 0.785 1
1 357 . 1 1 1 A 32 32 TRP N N 32 123.505 124.525 -1.020 1
1 359 . 1 1 1 A 33 33 ASP H H 33 8.797 8.430 0.367 1
1 360 . 1 1 1 A 33 33 ASP HA H 33 4.634 4.747 -0.113 1
1 363 . 1 1 1 A 33 33 ASP C C 33 175.831 175.161 0.670 1
1 364 . 1 1 1 A 33 33 ASP CA C 33 54.398 54.081 0.317 1
1 365 . 1 1 1 A 33 33 ASP CB C 33 40.707 40.013 0.694 1
1 366 . 1 1 1 A 33 33 ASP N N 33 113.424 116.483 -3.059 1
1 367 . 1 1 1 A 34 34 SER H H 34 8.039 7.948 0.091 1
1 368 . 1 1 1 A 34 34 SER HA H 34 4.737 4.776 -0.039 1
1 372 . 1 1 1 A 34 34 SER C C 34 174.096 173.319 0.777 1
1 373 . 1 1 1 A 34 34 SER CA C 34 56.454 56.065 0.389 1
1 374 . 1 1 1 A 34 34 SER CB C 34 65.137 65.522 -0.385 1
1 375 . 1 1 1 A 34 34 SER N N 34 114.429 114.852 -0.423 1
1 376 . 1 1 1 A 35 35 GLN H H 35 8.387 8.579 -0.192 1
1 377 . 1 1 1 A 35 35 GLN HA H 35 4.426 4.257 0.169 1
1 384 . 1 1 1 A 35 35 GLN C C 35 173.518 174.270 -0.752 1
1 385 . 1 1 1 A 35 35 GLN CA C 35 54.020 55.507 -1.487 1
1 386 . 1 1 1 A 35 35 GLN CB C 35 28.804 29.415 -0.611 1
1 388 . 1 1 1 A 35 35 GLN N N 35 123.700 123.026 0.674 1
1 390 . 1 1 1 A 36 36 SER H H 36 7.746 7.377 0.369 1
1 391 . 1 1 1 A 36 36 SER HA H 36 4.466 4.756 -0.290 1
1 395 . 1 1 1 A 36 36 SER C C 36 172.824 173.682 -0.858 1
1 396 . 1 1 1 A 36 36 SER CA C 36 54.749 55.185 -0.436 1
1 397 . 1 1 1 A 36 36 SER CB C 36 65.162 64.776 0.386 1
1 398 . 1 1 1 A 36 36 SER N N 36 112.974 116.174 -3.200 1
1 399 . 1 1 1 A 37 37 PRO HA H 37 4.382 4.478 -0.096 1
1 406 . 1 1 1 A 37 37 PRO C C 37 176.351 176.132 0.219 1
1 407 . 1 1 1 A 37 37 PRO CA C 37 64.110 64.162 -0.052 1
1 408 . 1 1 1 A 37 37 PRO CB C 37 33.670 31.920 1.750 1
1 411 . 1 1 1 A 38 38 HIS H H 38 8.764 7.611 1.153 1
1 412 . 1 1 1 A 38 38 HIS HA H 38 4.897 4.659 0.238 1
1 417 . 1 1 1 A 38 38 HIS C C 38 178.144 174.519 3.625 1
1 418 . 1 1 1 A 38 38 HIS CA C 38 55.580 55.558 0.022 1
1 419 . 1 1 1 A 38 38 HIS CB C 38 30.421 30.479 -0.058 1
1 422 . 1 1 1 A 38 38 HIS N N 38 122.516 117.258 5.258 1
1 423 . 1 1 1 A 39 39 ALA H H 39 8.673 8.526 0.147 1
1 424 . 1 1 1 A 39 39 ALA HA H 39 4.493 4.552 -0.059 1
1 428 . 1 1 1 A 39 39 ALA C C 39 178.375 177.384 0.991 1
1 429 . 1 1 1 A 39 39 ALA CA C 39 51.440 51.658 -0.218 1
1 430 . 1 1 1 A 39 39 ALA CB C 39 18.980 19.563 -0.583 1
1 431 . 1 1 1 A 39 39 ALA N N 39 128.546 127.486 1.060 1
1 432 . 1 1 1 A 40 40 HIS H H 40 9.291 9.655 -0.364 1
1 433 . 1 1 1 A 40 40 HIS HA H 40 4.734 5.545 -0.811 1
1 439 . 1 1 1 A 40 40 HIS C C 40 175.484 175.725 -0.241 1
1 440 . 1 1 1 A 40 40 HIS CA C 40 56.141 53.374 2.767 1
1 441 . 1 1 1 A 40 40 HIS CB C 40 35.545 32.604 2.941 1
1 444 . 1 1 1 A 40 40 HIS N N 40 120.682 119.231 1.451 1
1 445 . 1 1 1 A 41 41 GLY H H 41 9.080 8.988 0.092 1
1 446 . 1 1 1 A 41 41 GLY HA2 H 41 4.602 3.923 0.679 1
1 447 . 1 1 1 A 41 41 GLY HA3 H 41 3.671 3.955 -0.284 1
1 448 . 1 1 1 A 41 41 GLY C C 41 176.409 174.096 2.313 1
1 449 . 1 1 1 A 41 41 GLY CA C 41 44.724 45.461 -0.737 1
1 450 . 1 1 1 A 41 41 GLY N N 41 106.159 108.460 -2.301 1
1 451 . 1 1 1 A 42 42 TYR H H 42 11.980 8.307 3.673 1
1 452 . 1 1 1 A 42 42 TYR HA H 42 4.616 5.081 -0.465 1
1 459 . 1 1 1 A 42 42 TYR C C 42 174.385 175.286 -0.901 1
1 460 . 1 1 1 A 42 42 TYR CA C 42 57.579 56.818 0.761 1
1 461 . 1 1 1 A 42 42 TYR CB C 42 36.198 36.367 -0.169 1
1 466 . 1 1 1 A 42 42 TYR N N 42 133.554 120.037 13.517 1
1 467 . 1 1 1 A 43 43 ILE H H 43 7.120 8.275 -1.155 1
1 468 . 1 1 1 A 43 43 ILE HA H 43 4.630 4.624 0.006 1
1 478 . 1 1 1 A 43 43 ILE C C 43 177.219 176.092 1.127 1
1 479 . 1 1 1 A 43 43 ILE CA C 43 58.201 58.760 -0.559 1
1 480 . 1 1 1 A 43 43 ILE CB C 43 38.761 37.916 0.845 1
1 484 . 1 1 1 A 43 43 ILE N N 43 118.881 125.025 -6.144 1
1 485 . 1 1 1 A 44 44 PRO HA H 44 4.193 4.493 -0.300 1
1 492 . 1 1 1 A 44 44 PRO C C 44 178.780 177.676 1.104 1
1 493 . 1 1 1 A 44 44 PRO CA C 44 67.061 64.388 2.673 1
1 494 . 1 1 1 A 44 44 PRO CB C 44 32.267 31.886 0.381 1
1 497 . 1 1 1 A 45 45 SER H H 45 7.984 8.301 -0.317 1
1 498 . 1 1 1 A 45 45 SER HA H 45 4.087 4.291 -0.204 1
1 502 . 1 1 1 A 45 45 SER C C 45 176.004 175.765 0.239 1
1 503 . 1 1 1 A 45 45 SER CA C 45 60.161 60.959 -0.798 1
1 504 . 1 1 1 A 45 45 SER CB C 45 62.260 63.435 -1.175 1
1 505 . 1 1 1 A 45 45 SER N N 45 107.865 113.055 -5.190 1
1 506 . 1 1 1 A 46 46 LYS H H 46 7.769 7.864 -0.095 1
1 507 . 1 1 1 A 46 46 LYS HA H 46 3.965 4.171 -0.206 1
1 516 . 1 1 1 A 46 46 LYS C C 46 175.831 176.558 -0.727 1
1 517 . 1 1 1 A 46 46 LYS CA C 46 57.349 57.254 0.095 1
1 518 . 1 1 1 A 46 46 LYS CB C 46 33.283 32.721 0.562 1
1 522 . 1 1 1 A 46 46 LYS N N 46 121.944 117.292 4.652 1
1 523 . 1 1 1 A 47 47 PHE H H 47 7.018 7.458 -0.440 1
1 524 . 1 1 1 A 47 47 PHE HA H 47 5.244 5.173 0.071 1
1 532 . 1 1 1 A 47 47 PHE C C 47 174.790 174.698 0.092 1
1 533 . 1 1 1 A 47 47 PHE CA C 47 54.142 54.378 -0.236 1
1 534 . 1 1 1 A 47 47 PHE CB C 47 39.434 37.817 1.617 1
1 539 . 1 1 1 A 47 47 PHE N N 47 115.480 119.094 -3.614 1
1 540 . 1 1 1 A 48 48 PRO HA H 48 4.472 4.666 -0.194 1
1 547 . 1 1 1 A 48 48 PRO C C 48 177.681 178.192 -0.511 1
1 548 . 1 1 1 A 48 48 PRO CA C 48 65.513 65.044 0.469 1
1 549 . 1 1 1 A 48 48 PRO CB C 48 31.712 31.783 -0.071 1
1 552 . 1 1 1 A 49 49 ASN H H 49 8.559 8.978 -0.419 1
1 553 . 1 1 1 A 49 49 ASN HA H 49 4.818 4.529 0.289 1
1 558 . 1 1 1 A 49 49 ASN C C 49 175.715 176.393 -0.678 1
1 559 . 1 1 1 A 49 49 ASN CA C 49 53.372 54.701 -1.329 1
1 560 . 1 1 1 A 49 49 ASN CB C 49 37.351 36.803 0.548 1
1 561 . 1 1 1 A 49 49 ASN N N 49 114.836 114.804 0.032 1
1 563 . 1 1 1 A 50 50 LYS H H 50 7.627 7.210 0.417 1
1 564 . 1 1 1 A 50 50 LYS HA H 50 4.480 4.341 0.139 1
1 573 . 1 1 1 A 50 50 LYS C C 50 175.079 175.501 -0.422 1
1 574 . 1 1 1 A 50 50 LYS CA C 50 53.336 55.859 -2.523 1
1 575 . 1 1 1 A 50 50 LYS CB C 50 31.284 32.236 -0.952 1
1 579 . 1 1 1 A 50 50 LYS N N 50 116.224 117.778 -1.554 1
1 580 . 1 1 1 A 51 51 ASN H H 51 7.945 7.889 0.056 1
1 581 . 1 1 1 A 51 51 ASN HA H 51 4.304 4.314 -0.010 1
1 586 . 1 1 1 A 51 51 ASN C C 51 175.195 174.053 1.142 1
1 587 . 1 1 1 A 51 51 ASN CA C 51 54.089 54.310 -0.221 1
1 588 . 1 1 1 A 51 51 ASN CB C 51 36.504 36.954 -0.450 1
1 589 . 1 1 1 A 51 51 ASN N N 51 115.331 115.504 -0.173 1
1 591 . 1 1 1 A 52 52 LEU H H 52 8.803 7.827 0.976 1
1 592 . 1 1 1 A 52 52 LEU HA H 52 3.412 4.270 -0.858 1
1 602 . 1 1 1 A 52 52 LEU C C 52 174.674 175.230 -0.556 1
1 603 . 1 1 1 A 52 52 LEU CA C 52 53.983 54.604 -0.621 1
1 604 . 1 1 1 A 52 52 LEU CB C 52 42.471 41.741 0.730 1
1 608 . 1 1 1 A 52 52 LEU N N 52 121.765 120.680 1.085 1
1 609 . 1 1 1 A 53 53 LYS H H 53 7.099 8.719 -1.620 1
1 610 . 1 1 1 A 53 53 LYS HA H 53 4.324 4.857 -0.533 1
1 619 . 1 1 1 A 53 53 LYS C C 53 173.460 176.441 -2.981 1
1 620 . 1 1 1 A 53 53 LYS CA C 53 54.843 54.320 0.523 1
1 621 . 1 1 1 A 53 53 LYS CB C 53 36.395 36.236 0.159 1
1 625 . 1 1 1 A 53 53 LYS N N 53 124.403 126.452 -2.049 1
1 626 . 1 1 1 A 54 54 LYS H H 54 8.805 8.970 -0.165 1
1 627 . 1 1 1 A 54 54 LYS HA H 54 3.692 3.815 -0.123 1
1 636 . 1 1 1 A 54 54 LYS C C 54 173.344 175.922 -2.578 1
1 637 . 1 1 1 A 54 54 LYS CA C 54 56.366 57.752 -1.386 1
1 638 . 1 1 1 A 54 54 LYS CB C 54 29.830 30.139 -0.309 1
1 642 . 1 1 1 A 54 54 LYS N N 54 118.125 118.050 0.075 1
1 643 . 1 1 1 A 55 55 ASN H H 55 7.567 8.370 -0.803 1
1 644 . 1 1 1 A 55 55 ASN HA H 55 4.643 4.645 -0.002 1
1 649 . 1 1 1 A 55 55 ASN C C 55 172.188 175.254 -3.066 1
1 650 . 1 1 1 A 55 55 ASN CA C 55 51.091 51.617 -0.526 1
1 651 . 1 1 1 A 55 55 ASN CB C 55 37.234 37.351 -0.117 1
1 652 . 1 1 1 A 55 55 ASN N N 55 123.893 121.840 2.053 1
1 654 . 1 1 1 A 56 56 TYR H H 56 7.584 7.433 0.151 1
1 655 . 1 1 1 A 56 56 TYR HA H 56 4.892 5.088 -0.196 1
1 662 . 1 1 1 A 56 56 TYR C C 56 177.276 176.000 1.276 1
1 663 . 1 1 1 A 56 56 TYR CA C 56 54.447 57.925 -3.478 1
1 664 . 1 1 1 A 56 56 TYR CB C 56 38.633 39.709 -1.076 1
1 669 . 1 1 1 A 56 56 TYR N N 56 115.237 119.922 -4.685 1
1 670 . 1 1 1 A 57 57 CYS H H 57 9.149 9.153 -0.004 1
1 671 . 1 1 1 A 57 57 CYS HA H 57 4.398 4.992 -0.594 1
1 674 . 1 1 1 A 57 57 CYS C C 57 175.600 174.454 1.146 1
1 675 . 1 1 1 A 57 57 CYS CA C 57 59.824 56.266 3.558 1
1 676 . 1 1 1 A 57 57 CYS CB C 57 48.356 42.609 5.747 1
1 677 . 1 1 1 A 57 57 CYS N N 57 119.273 121.903 -2.630 1
1 678 . 1 1 1 A 58 58 ARG H H 58 9.138 8.575 0.563 1
1 679 . 1 1 1 A 58 58 ARG HA H 58 4.918 5.021 -0.103 1
1 687 . 1 1 1 A 58 58 ARG C C 58 173.576 174.360 -0.784 1
1 688 . 1 1 1 A 58 58 ARG CA C 58 53.187 54.256 -1.069 1
1 689 . 1 1 1 A 58 58 ARG CB C 58 29.412 34.442 -5.030 1
1 692 . 1 1 1 A 58 58 ARG N N 58 122.881 125.217 -2.336 1
1 694 . 1 1 1 A 59 59 ASN H H 59 8.868 8.558 0.310 1
1 695 . 1 1 1 A 59 59 ASN HA H 59 5.513 5.018 0.495 1
1 700 . 1 1 1 A 59 59 ASN C C 59 172.824 174.425 -1.601 1
1 701 . 1 1 1 A 59 59 ASN CA C 59 53.176 49.969 3.207 1
1 702 . 1 1 1 A 59 59 ASN CB C 59 37.237 39.456 -2.219 1
1 703 . 1 1 1 A 59 59 ASN N N 59 113.603 118.829 -5.226 1
1 705 . 1 1 1 A 60 60 PRO HA H 60 4.712 4.330 0.382 1
1 712 . 1 1 1 A 60 60 PRO C C 60 175.715 177.707 -1.992 1
1 713 . 1 1 1 A 60 60 PRO CA C 60 63.643 64.183 -0.540 1
1 714 . 1 1 1 A 60 60 PRO CB C 60 32.507 31.666 0.841 1
1 717 . 1 1 1 A 61 61 ASP H H 61 8.883 7.917 0.966 1
1 718 . 1 1 1 A 61 61 ASP HA H 61 4.495 4.454 0.041 1
1 721 . 1 1 1 A 61 61 ASP C C 61 174.848 175.111 -0.263 1
1 722 . 1 1 1 A 61 61 ASP CA C 61 51.953 53.177 -1.224 1
1 723 . 1 1 1 A 61 61 ASP CB C 61 42.092 40.043 2.049 1
1 724 . 1 1 1 A 61 61 ASP N N 61 118.660 116.224 2.436 1
1 725 . 1 1 1 A 62 62 ARG H H 62 8.395 7.680 0.715 1
1 726 . 1 1 1 A 62 62 ARG HA H 62 3.789 4.099 -0.310 1
1 734 . 1 1 1 A 62 62 ARG C C 62 176.236 174.597 1.639 1
1 735 . 1 1 1 A 62 62 ARG CA C 62 57.318 56.966 0.352 1
1 736 . 1 1 1 A 62 62 ARG CB C 62 26.990 27.569 -0.579 1
1 739 . 1 1 1 A 62 62 ARG N N 62 116.013 115.205 0.808 1
1 741 . 1 1 1 A 63 63 ASP H H 63 9.735 8.110 1.625 1
1 742 . 1 1 1 A 63 63 ASP HA H 63 4.769 4.692 0.077 1
1 745 . 1 1 1 A 63 63 ASP C C 63 177.334 176.834 0.500 1
1 746 . 1 1 1 A 63 63 ASP CA C 63 51.973 53.042 -1.069 1
1 747 . 1 1 1 A 63 63 ASP CB C 63 42.698 42.478 0.220 1
1 748 . 1 1 1 A 63 63 ASP N N 63 121.799 117.757 4.042 1
1 749 . 1 1 1 A 64 64 LEU H H 64 10.919 8.590 2.329 1
1 750 . 1 1 1 A 64 64 LEU HA H 64 3.995 4.201 -0.206 1
1 760 . 1 1 1 A 64 64 LEU C C 64 176.467 176.589 -0.122 1
1 761 . 1 1 1 A 64 64 LEU CA C 64 57.772 56.259 1.513 1
1 762 . 1 1 1 A 64 64 LEU CB C 64 43.630 43.422 0.208 1
1 766 . 1 1 1 A 64 64 LEU N N 64 121.789 122.100 -0.311 1
1 767 . 1 1 1 A 65 65 ARG H H 65 7.633 7.815 -0.182 1
1 768 . 1 1 1 A 65 65 ARG HA H 65 5.006 4.664 0.342 1
1 776 . 1 1 1 A 65 65 ARG C C 65 172.130 173.938 -1.808 1
1 777 . 1 1 1 A 65 65 ARG CA C 65 53.368 54.047 -0.679 1
1 778 . 1 1 1 A 65 65 ARG CB C 65 28.429 33.813 -5.384 1
1 781 . 1 1 1 A 65 65 ARG N N 65 108.790 118.975 -10.185 1
1 783 . 1 1 1 A 66 66 PRO HA H 66 4.281 4.672 -0.391 1
1 790 . 1 1 1 A 66 66 PRO C C 66 172.940 176.038 -3.098 1
1 791 . 1 1 1 A 66 66 PRO CA C 66 63.677 63.111 0.566 1
1 792 . 1 1 1 A 66 66 PRO CB C 66 32.592 32.836 -0.244 1
1 795 . 1 1 1 A 67 67 TRP H H 67 8.716 8.342 0.374 1
1 796 . 1 1 1 A 67 67 TRP HA H 67 5.406 5.264 0.142 1
1 805 . 1 1 1 A 67 67 TRP C C 67 172.919 173.748 -0.829 1
1 806 . 1 1 1 A 67 67 TRP CA C 67 56.035 55.545 0.490 1
1 807 . 1 1 1 A 67 67 TRP CB C 67 34.026 31.430 2.596 1
1 813 . 1 1 1 A 67 67 TRP N N 67 121.250 117.785 3.465 1
1 815 . 1 1 1 A 68 68 CYS H H 68 8.384 9.323 -0.939 1
1 816 . 1 1 1 A 68 68 CYS HA H 68 4.265 4.828 -0.563 1
1 819 . 1 1 1 A 68 68 CYS C C 68 175.079 172.902 2.177 1
1 820 . 1 1 1 A 68 68 CYS CA C 68 55.876 55.543 0.333 1
1 821 . 1 1 1 A 68 68 CYS CB C 68 42.232 46.343 -4.111 1
1 822 . 1 1 1 A 68 68 CYS N N 68 109.624 117.402 -7.778 1
1 823 . 1 1 1 A 69 69 PHE H H 69 8.031 8.353 -0.322 1
1 824 . 1 1 1 A 69 69 PHE HA H 69 5.420 5.008 0.412 1
1 832 . 1 1 1 A 69 69 PHE C C 69 176.814 175.724 1.090 1
1 833 . 1 1 1 A 69 69 PHE CA C 69 59.299 57.822 1.477 1
1 834 . 1 1 1 A 69 69 PHE CB C 69 38.411 39.984 -1.573 1
1 840 . 1 1 1 A 69 69 PHE N N 69 120.433 120.744 -0.311 1
1 841 . 1 1 1 A 70 70 THR H H 70 8.002 9.090 -1.088 1
1 842 . 1 1 1 A 70 70 THR HA H 70 5.408 4.626 0.782 1
1 848 . 1 1 1 A 70 70 THR C C 70 173.518 174.590 -1.072 1
1 849 . 1 1 1 A 70 70 THR CA C 70 61.208 62.145 -0.937 1
1 850 . 1 1 1 A 70 70 THR CB C 70 70.441 69.944 0.497 1
1 852 . 1 1 1 A 70 70 THR N N 70 112.351 118.386 -6.035 1
1 853 . 1 1 1 A 71 71 THR H H 71 8.126 8.860 -0.734 1
1 854 . 1 1 1 A 71 71 THR HA H 71 4.037 4.528 -0.491 1
1 860 . 1 1 1 A 71 71 THR C C 71 174.903 173.880 1.023 1
1 861 . 1 1 1 A 71 71 THR CA C 71 62.413 62.664 -0.251 1
1 862 . 1 1 1 A 71 71 THR CB C 71 69.167 69.141 0.026 1
1 864 . 1 1 1 A 71 71 THR N N 71 104.863 118.807 -13.944 1
1 865 . 1 1 1 A 72 72 ASP H H 72 9.024 7.864 1.160 1
1 866 . 1 1 1 A 72 72 ASP HA H 72 4.936 4.900 0.036 1
1 869 . 1 1 1 A 72 72 ASP C C 72 176.929 175.997 0.932 1
1 870 . 1 1 1 A 72 72 ASP CA C 72 51.333 52.038 -0.705 1
1 871 . 1 1 1 A 72 72 ASP CB C 72 43.416 42.321 1.095 1
1 872 . 1 1 1 A 72 72 ASP N N 72 126.242 124.531 1.711 1
1 873 . 1 1 1 A 73 73 PRO HA H 73 3.962 4.210 -0.248 1
1 880 . 1 1 1 A 73 73 PRO C C 73 177.045 178.032 -0.987 1
1 881 . 1 1 1 A 73 73 PRO CA C 73 64.632 65.057 -0.425 1
1 882 . 1 1 1 A 73 73 PRO CB C 73 32.460 31.868 0.592 1
1 885 . 1 1 1 A 74 74 ASN H H 74 8.943 8.196 0.747 1
1 886 . 1 1 1 A 74 74 ASN HA H 74 4.854 4.609 0.245 1
1 891 . 1 1 1 A 74 74 ASN C C 74 174.443 175.935 -1.492 1
1 892 . 1 1 1 A 74 74 ASN CA C 74 53.380 55.886 -2.506 1
1 893 . 1 1 1 A 74 74 ASN CB C 74 39.333 38.999 0.334 1
1 894 . 1 1 1 A 74 74 ASN N N 74 114.144 114.785 -0.641 1
1 896 . 1 1 1 A 75 75 LYS H H 75 7.795 7.743 0.052 1
1 897 . 1 1 1 A 75 75 LYS HA H 75 4.571 4.413 0.158 1
1 906 . 1 1 1 A 75 75 LYS C C 75 173.402 176.062 -2.660 1
1 907 . 1 1 1 A 75 75 LYS CA C 75 54.154 55.390 -1.236 1
1 908 . 1 1 1 A 75 75 LYS CB C 75 32.186 33.447 -1.261 1
1 912 . 1 1 1 A 75 75 LYS N N 75 122.835 118.731 4.104 1
1 913 . 1 1 1 A 76 76 ARG H H 76 9.132 8.854 0.278 1
1 914 . 1 1 1 A 76 76 ARG HA H 76 4.555 3.289 1.266 1
1 922 . 1 1 1 A 76 76 ARG C C 76 175.137 176.019 -0.882 1
1 923 . 1 1 1 A 76 76 ARG CA C 76 60.532 57.984 2.548 1
1 924 . 1 1 1 A 76 76 ARG CB C 76 29.307 31.197 -1.890 1
1 927 . 1 1 1 A 76 76 ARG N N 76 129.676 127.077 2.599 1
1 929 . 1 1 1 A 77 77 TRP H H 77 7.559 7.539 0.020 1
1 930 . 1 1 1 A 77 77 TRP HA H 77 5.357 5.478 -0.121 1
1 939 . 1 1 1 A 77 77 TRP C C 77 172.940 174.220 -1.280 1
1 940 . 1 1 1 A 77 77 TRP CA C 77 55.044 54.878 0.166 1
1 941 . 1 1 1 A 77 77 TRP CB C 77 31.951 32.514 -0.563 1
1 947 . 1 1 1 A 77 77 TRP N N 77 109.174 114.899 -5.725 1
1 949 . 1 1 1 A 78 78 GLU H H 78 8.638 9.434 -0.796 1
1 950 . 1 1 1 A 78 78 GLU HA H 78 3.671 4.869 -1.198 1
1 955 . 1 1 1 A 78 78 GLU C C 78 174.501 174.934 -0.433 1
1 956 . 1 1 1 A 78 78 GLU CA C 78 55.659 54.938 0.721 1
1 957 . 1 1 1 A 78 78 GLU CB C 78 34.557 34.033 0.524 1
1 959 . 1 1 1 A 78 78 GLU N N 78 118.907 119.929 -1.022 1
1 960 . 1 1 1 A 79 79 TYR H H 79 7.636 9.139 -1.503 1
1 961 . 1 1 1 A 79 79 TYR HA H 79 4.995 4.974 0.021 1
1 968 . 1 1 1 A 79 79 TYR C C 79 175.889 175.939 -0.050 1
1 969 . 1 1 1 A 79 79 TYR CA C 79 60.120 58.283 1.837 1
1 970 . 1 1 1 A 79 79 TYR CB C 79 39.789 39.848 -0.059 1
1 975 . 1 1 1 A 79 79 TYR N N 79 119.277 120.316 -1.039 1
1 976 . 1 1 1 A 80 80 CYS H H 80 9.398 9.260 0.138 1
1 977 . 1 1 1 A 80 80 CYS HA H 80 4.720 5.396 -0.676 1
1 980 . 1 1 1 A 80 80 CYS C C 80 172.419 171.945 0.474 1
1 981 . 1 1 1 A 80 80 CYS CA C 80 54.618 54.442 0.176 1
1 982 . 1 1 1 A 80 80 CYS CB C 80 46.736 44.120 2.616 1
1 983 . 1 1 1 A 80 80 CYS N N 80 118.623 120.129 -1.506 1
1 984 . 1 1 1 A 81 81 ASP H H 81 9.729 9.008 0.721 1
1 985 . 1 1 1 A 81 81 ASP HA H 81 4.781 4.759 0.022 1
1 988 . 1 1 1 A 81 81 ASP C C 81 173.576 174.473 -0.897 1
1 989 . 1 1 1 A 81 81 ASP CA C 81 52.855 53.309 -0.454 1
1 990 . 1 1 1 A 81 81 ASP CB C 81 40.733 40.487 0.246 1
1 991 . 1 1 1 A 81 81 ASP N N 81 124.777 126.726 -1.949 1
1 992 . 1 1 1 A 82 82 ILE H H 82 7.820 8.115 -0.295 1
1 993 . 1 1 1 A 82 82 ILE HA H 82 4.320 4.488 -0.168 1
1 1003 . 1 1 1 A 82 82 ILE C C 82 173.923 173.818 0.105 1
1 1004 . 1 1 1 A 82 82 ILE CA C 82 56.118 57.210 -1.092 1
1 1005 . 1 1 1 A 82 82 ILE CB C 82 38.166 39.715 -1.549 1
1 1009 . 1 1 1 A 82 82 ILE N N 82 125.281 126.128 -0.847 1
1 1010 . 1 1 1 A 83 83 PRO HA H 83 4.337 4.544 -0.207 1
1 1017 . 1 1 1 A 83 83 PRO C C 83 175.167 175.612 -0.445 1
1 1018 . 1 1 1 A 83 83 PRO CA C 83 62.844 62.676 0.168 1
1 1019 . 1 1 1 A 83 83 PRO CB C 83 32.450 32.492 -0.042 1
1 1022 . 1 1 1 A 84 84 ARG H H 84 8.656 8.422 0.234 1
1 1023 . 1 1 1 A 84 84 ARG HA H 84 4.658 4.730 -0.072 1
1 1031 . 1 1 1 A 84 84 ARG C C 84 175.137 175.374 -0.237 1
1 1032 . 1 1 1 A 84 84 ARG CA C 84 55.617 54.228 1.389 1
1 1033 . 1 1 1 A 84 84 ARG CB C 84 30.482 33.115 -2.633 1
1 1036 . 1 1 1 A 84 84 ARG N N 84 122.316 121.708 0.608 1
1 1038 . 1 1 1 A 85 85 CYS H H 85 8.783 9.047 -0.264 1
1 1039 . 1 1 1 A 85 85 CYS HA H 85 4.479 4.787 -0.308 1
1 1042 . 1 1 1 A 85 85 CYS C C 85 174.906 175.139 -0.233 1
1 1043 . 1 1 1 A 85 85 CYS CA C 85 54.177 55.250 -1.073 1
1 1044 . 1 1 1 A 85 85 CYS CB C 85 39.574 44.011 -4.437 1
1 1045 . 1 1 1 A 85 85 CYS N N 85 124.002 122.052 1.950 1
1 1046 . 1 1 1 A 86 86 ALA H H 86 8.746 8.788 -0.042 1
1 1047 . 1 1 1 A 86 86 ALA HA H 86 4.255 4.027 0.228 1
1 1051 . 1 1 1 A 86 86 ALA C C 86 176.236 177.820 -1.584 1
1 1052 . 1 1 1 A 86 86 ALA CA C 86 53.067 55.010 -1.943 1
1 1053 . 1 1 1 A 86 86 ALA CB C 86 19.034 18.589 0.445 1
1 1054 . 1 1 1 A 86 86 ALA N N 86 126.444 125.351 1.093 1
1 1064 . 1 2 2 B 2 2 SER HA H 100 4.570 4.893 -0.323 1
1 1067 . 1 2 2 B 2 2 SER C C 100 174.779 175.203 -0.424 1
1 1068 . 1 2 2 B 2 2 SER CA C 100 58.624 57.598 1.026 1
1 1069 . 1 2 2 B 2 2 SER CB C 100 63.939 64.990 -1.051 1
1 1070 . 1 2 2 B 3 3 VAL H H 101 8.341 8.444 -0.103 1
1 1071 . 1 2 2 B 3 3 VAL HA H 101 4.151 4.204 -0.053 1
1 1079 . 1 2 2 B 3 3 VAL C C 101 176.450 175.066 1.384 1
1 1080 . 1 2 2 B 3 3 VAL CA C 101 62.793 61.659 1.134 1
1 1081 . 1 2 2 B 3 3 VAL CB C 101 32.495 31.345 1.150 1
1 1084 . 1 2 2 B 3 3 VAL N N 101 121.954 119.882 2.072 1
1 1085 . 1 2 2 B 4 4 GLU H H 102 8.521 7.592 0.929 1
1 1086 . 1 2 2 B 4 4 GLU HA H 102 4.291 4.674 -0.383 1
1 1091 . 1 2 2 B 4 4 GLU C C 102 176.450 175.731 0.719 1
1 1092 . 1 2 2 B 4 4 GLU CA C 102 56.955 55.698 1.257 1
1 1093 . 1 2 2 B 4 4 GLU CB C 102 30.233 33.482 -3.249 1
1 1095 . 1 2 2 B 4 4 GLU N N 102 124.722 120.932 3.790 1
1 1096 . 1 2 2 B 5 5 LYS H H 103 8.323 8.781 -0.458 1
1 1097 . 1 2 2 B 5 5 LYS HA H 103 4.313 4.201 0.112 1
1 1106 . 1 2 2 B 5 5 LYS C C 103 176.784 176.064 0.720 1
1 1107 . 1 2 2 B 5 5 LYS CA C 103 56.688 55.868 0.820 1
1 1108 . 1 2 2 B 5 5 LYS CB C 103 30.228 32.890 -2.662 1
1 1112 . 1 2 2 B 5 5 LYS N N 103 122.689 125.905 -3.216 1
1 1113 . 1 2 2 B 6 6 LEU H H 104 8.369 7.900 0.469 1
1 1114 . 1 2 2 B 6 6 LEU HA H 104 4.500 3.926 0.574 1
1 1124 . 1 2 2 B 6 6 LEU C C 104 177.632 175.150 2.482 1
1 1125 . 1 2 2 B 6 6 LEU CA C 104 55.480 56.280 -0.800 1
1 1126 . 1 2 2 B 6 6 LEU CB C 104 42.587 40.487 2.100 1
1 1130 . 1 2 2 B 6 6 LEU N N 104 123.373 117.074 6.299 1
1 1131 . 1 2 2 B 7 7 THR HA H 105 4.558 4.647 -0.089 1
1 1137 . 1 2 2 B 7 7 THR C C 105 175.614 174.540 1.074 1
1 1138 . 1 2 2 B 7 7 THR CA C 105 62.000 60.379 1.621 1
1 1139 . 1 2 2 B 7 7 THR CB C 105 70.090 70.820 -0.730 1
1 1141 . 1 2 2 B 8 8 ALA H H 106 8.649 9.064 -0.415 1
1 1142 . 1 2 2 B 8 8 ALA HA H 106 4.458 3.999 0.459 1
1 1146 . 1 2 2 B 8 8 ALA C C 106 179.290 179.012 0.278 1
1 1147 . 1 2 2 B 8 8 ALA CA C 106 55.552 55.173 0.379 1
1 1148 . 1 2 2 B 8 8 ALA CB C 106 18.704 17.975 0.729 1
1 1149 . 1 2 2 B 8 8 ALA N N 106 124.857 130.206 -5.349 1
1 1150 . 1 2 2 B 9 9 ASP H H 107 8.286 8.356 -0.070 1
1 1151 . 1 2 2 B 9 9 ASP HA H 107 4.457 4.359 0.098 1
1 1154 . 1 2 2 B 9 9 ASP C C 107 178.845 178.242 0.603 1
1 1155 . 1 2 2 B 9 9 ASP CA C 107 57.733 57.248 0.485 1
1 1156 . 1 2 2 B 9 9 ASP CB C 107 40.881 42.041 -1.160 1
1 1157 . 1 2 2 B 9 9 ASP N N 107 115.621 118.571 -2.950 1
1 1158 . 1 2 2 B 10 10 ALA H H 108 7.887 8.230 -0.343 1
1 1159 . 1 2 2 B 10 10 ALA HA H 108 4.182 4.098 0.084 1
1 1163 . 1 2 2 B 10 10 ALA C C 108 180.906 179.504 1.402 1
1 1164 . 1 2 2 B 10 10 ALA CA C 108 55.014 54.949 0.065 1
1 1165 . 1 2 2 B 10 10 ALA CB C 108 18.631 17.960 0.671 1
1 1166 . 1 2 2 B 10 10 ALA N N 108 122.756 121.464 1.292 1
1 1167 . 1 2 2 B 11 11 GLU H H 109 8.390 7.778 0.612 1
1 1168 . 1 2 2 B 11 11 GLU HA H 109 4.256 4.133 0.123 1
1 1173 . 1 2 2 B 11 11 GLU C C 109 178.678 179.085 -0.407 1
1 1174 . 1 2 2 B 11 11 GLU CA C 109 59.105 58.920 0.185 1
1 1175 . 1 2 2 B 11 11 GLU CB C 109 29.559 29.330 0.229 1
1 1177 . 1 2 2 B 11 11 GLU N N 109 121.999 119.130 2.869 1
1 1178 . 1 2 2 B 12 12 LEU H H 110 8.395 8.785 -0.390 1
1 1179 . 1 2 2 B 12 12 LEU HA H 110 3.808 3.933 -0.125 1
1 1189 . 1 2 2 B 12 12 LEU C C 110 178.288 179.279 -0.991 1
1 1190 . 1 2 2 B 12 12 LEU CA C 110 58.407 57.777 0.630 1
1 1191 . 1 2 2 B 12 12 LEU CB C 110 41.329 41.636 -0.307 1
1 1195 . 1 2 2 B 12 12 LEU N N 110 119.939 120.034 -0.095 1
1 1196 . 1 2 2 B 13 13 GLN H H 111 7.761 8.461 -0.700 1
1 1197 . 1 2 2 B 13 13 GLN HA H 111 4.008 3.964 0.044 1
1 1202 . 1 2 2 B 13 13 GLN C C 111 177.954 178.604 -0.650 1
1 1203 . 1 2 2 B 13 13 GLN CA C 111 58.674 59.381 -0.707 1
1 1204 . 1 2 2 B 13 13 GLN CB C 111 28.513 28.282 0.231 1
1 1206 . 1 2 2 B 13 13 GLN N N 111 117.305 117.679 -0.374 1
1 1207 . 1 2 2 B 14 14 ARG H H 112 7.752 8.067 -0.315 1
1 1208 . 1 2 2 B 14 14 ARG HA H 112 4.053 4.120 -0.067 1
1 1216 . 1 2 2 B 14 14 ARG C C 112 179.625 179.198 0.427 1
1 1217 . 1 2 2 B 14 14 ARG CA C 112 59.770 58.943 0.827 1
1 1218 . 1 2 2 B 14 14 ARG CB C 112 29.884 29.981 -0.097 1
1 1221 . 1 2 2 B 14 14 ARG N N 112 121.241 120.019 1.222 1
1 1223 . 1 2 2 B 15 15 LEU H H 113 8.478 8.658 -0.180 1
1 1224 . 1 2 2 B 15 15 LEU HA H 113 3.974 3.976 -0.002 1
1 1234 . 1 2 2 B 15 15 LEU C C 113 180.627 179.250 1.377 1
1 1235 . 1 2 2 B 15 15 LEU CA C 113 58.251 57.778 0.473 1
1 1236 . 1 2 2 B 15 15 LEU CB C 113 41.751 41.395 0.356 1
1 1240 . 1 2 2 B 15 15 LEU N N 113 120.898 119.898 1.000 1
1 1241 . 1 2 2 B 16 16 LYS H H 114 8.437 7.997 0.440 1
1 1242 . 1 2 2 B 16 16 LYS HA H 114 3.368 3.816 -0.448 1
1 1251 . 1 2 2 B 16 16 LYS C C 114 178.288 178.992 -0.704 1
1 1252 . 1 2 2 B 16 16 LYS CA C 114 60.242 59.654 0.588 1
1 1253 . 1 2 2 B 16 16 LYS CB C 114 30.249 32.014 -1.765 1
1 1257 . 1 2 2 B 16 16 LYS N N 114 123.214 121.224 1.990 1
1 1258 . 1 2 2 B 17 17 ASN H H 115 8.137 8.776 -0.639 1
1 1259 . 1 2 2 B 17 17 ASN HA H 115 4.270 4.570 -0.300 1
1 1264 . 1 2 2 B 17 17 ASN C C 115 178.288 177.779 0.509 1
1 1265 . 1 2 2 B 17 17 ASN CA C 115 56.318 56.340 -0.022 1
1 1266 . 1 2 2 B 17 17 ASN CB C 115 37.573 37.874 -0.301 1
1 1267 . 1 2 2 B 17 17 ASN N N 115 117.923 118.134 -0.211 1
1 1269 . 1 2 2 B 18 18 GLU H H 116 8.110 8.686 -0.576 1
1 1270 . 1 2 2 B 18 18 GLU HA H 116 4.146 3.978 0.168 1
1 1275 . 1 2 2 B 18 18 GLU C C 116 178.956 178.994 -0.038 1
1 1276 . 1 2 2 B 18 18 GLU CA C 116 59.659 59.727 -0.068 1
1 1277 . 1 2 2 B 18 18 GLU CB C 116 29.950 29.093 0.857 1
1 1279 . 1 2 2 B 18 18 GLU N N 116 120.249 119.634 0.615 1
1 1280 . 1 2 2 B 19 19 ARG H H 117 7.925 8.041 -0.116 1
1 1281 . 1 2 2 B 19 19 ARG HA H 117 4.057 4.020 0.037 1
1 1289 . 1 2 2 B 19 19 ARG C C 117 180.070 179.158 0.912 1
1 1290 . 1 2 2 B 19 19 ARG CA C 117 59.564 59.244 0.320 1
1 1291 . 1 2 2 B 19 19 ARG CB C 117 29.879 29.780 0.099 1
1 1294 . 1 2 2 B 19 19 ARG N N 117 119.801 118.560 1.241 1
1 1296 . 1 2 2 B 20 20 HIS H H 118 8.316 7.682 0.634 1
1 1297 . 1 2 2 B 20 20 HIS HA H 118 4.574 4.330 0.244 1
1 1304 . 1 2 2 B 20 20 HIS C C 118 176.784 177.883 -1.099 1
1 1305 . 1 2 2 B 20 20 HIS CA C 118 58.397 59.008 -0.611 1
1 1306 . 1 2 2 B 20 20 HIS CB C 118 29.343 30.039 -0.696 1
1 1309 . 1 2 2 B 20 20 HIS N N 118 117.802 118.881 -1.079 1
1 1310 . 1 2 2 B 21 21 GLU H H 119 8.400 8.525 -0.125 1
1 1311 . 1 2 2 B 21 21 GLU HA H 119 4.268 3.775 0.493 1
1 1316 . 1 2 2 B 21 21 GLU C C 119 178.566 179.440 -0.874 1
1 1317 . 1 2 2 B 21 21 GLU CA C 119 59.105 59.996 -0.891 1
1 1318 . 1 2 2 B 21 21 GLU CB C 119 29.559 29.671 -0.112 1
1 1320 . 1 2 2 B 21 21 GLU N N 119 121.996 119.998 1.998 1
1 1321 . 1 2 2 B 22 22 GLU H H 120 8.285 8.570 -0.285 1
1 1322 . 1 2 2 B 22 22 GLU HA H 120 4.204 4.051 0.153 1
1 1327 . 1 2 2 B 22 22 GLU C C 120 178.288 179.093 -0.805 1
1 1328 . 1 2 2 B 22 22 GLU CA C 120 58.841 59.246 -0.405 1
1 1329 . 1 2 2 B 22 22 GLU CB C 120 29.322 29.396 -0.074 1
1 1331 . 1 2 2 B 22 22 GLU N N 120 119.798 120.382 -0.584 1
1 1332 . 1 2 2 B 23 23 ALA H H 121 8.037 8.260 -0.223 1
1 1333 . 1 2 2 B 23 23 ALA HA H 121 4.270 4.057 0.213 1
1 1337 . 1 2 2 B 23 23 ALA C C 121 179.569 179.647 -0.078 1
1 1338 . 1 2 2 B 23 23 ALA CA C 121 54.158 55.180 -1.022 1
1 1339 . 1 2 2 B 23 23 ALA CB C 121 18.923 18.401 0.522 1
1 1340 . 1 2 2 B 23 23 ALA N N 121 122.418 122.766 -0.348 1
1 1341 . 1 2 2 B 24 24 GLU H H 122 8.039 7.709 0.330 1
1 1342 . 1 2 2 B 24 24 GLU HA H 122 4.291 3.997 0.294 1
1 1347 . 1 2 2 B 24 24 GLU C C 122 177.954 179.742 -1.788 1
1 1348 . 1 2 2 B 24 24 GLU CA C 122 58.023 59.328 -1.305 1
1 1349 . 1 2 2 B 24 24 GLU CB C 122 29.566 30.042 -0.476 1
1 1351 . 1 2 2 B 24 24 GLU N N 122 119.517 118.373 1.144 1
1 1352 . 1 2 2 B 25 25 LEU H H 123 7.962 8.971 -1.009 1
1 1353 . 1 2 2 B 25 25 LEU HA H 123 4.226 4.004 0.222 1
1 1363 . 1 2 2 B 25 25 LEU C C 123 179.123 179.228 -0.105 1
1 1364 . 1 2 2 B 25 25 LEU CA C 123 57.213 58.094 -0.881 1
1 1365 . 1 2 2 B 25 25 LEU CB C 123 41.809 41.314 0.495 1
1 1369 . 1 2 2 B 25 25 LEU N N 123 120.617 120.670 -0.053 1
1 1370 . 1 2 2 B 26 26 GLU H H 124 8.093 8.704 -0.611 1
1 1371 . 1 2 2 B 26 26 GLU HA H 124 4.140 3.997 0.143 1
1 1376 . 1 2 2 B 26 26 GLU C C 124 177.954 178.729 -0.775 1
1 1377 . 1 2 2 B 26 26 GLU CA C 124 58.095 59.382 -1.287 1
1 1378 . 1 2 2 B 26 26 GLU CB C 124 29.910 29.064 0.846 1
1 1380 . 1 2 2 B 26 26 GLU N N 124 119.473 119.958 -0.485 1
1 1381 . 1 2 2 B 27 27 ARG H H 125 7.954 8.045 -0.091 1
1 1382 . 1 2 2 B 27 27 ARG HA H 125 4.210 4.174 0.036 1
1 1390 . 1 2 2 B 27 27 ARG C C 125 177.619 178.521 -0.902 1
1 1391 . 1 2 2 B 27 27 ARG CA C 125 57.677 58.667 -0.990 1
1 1392 . 1 2 2 B 27 27 ARG CB C 125 30.374 29.933 0.441 1
1 1395 . 1 2 2 B 27 27 ARG N N 125 120.670 120.518 0.152 1
1 1397 . 1 2 2 B 28 28 LEU H H 126 8.038 8.253 -0.215 1
1 1398 . 1 2 2 B 28 28 LEU HA H 126 4.270 4.121 0.149 1
1 1408 . 1 2 2 B 28 28 LEU C C 126 178.065 178.333 -0.268 1
1 1409 . 1 2 2 B 28 28 LEU CA C 126 56.096 57.611 -1.515 1
1 1410 . 1 2 2 B 28 28 LEU CB C 126 42.252 41.797 0.455 1
1 1414 . 1 2 2 B 28 28 LEU N N 126 120.818 120.980 -0.162 1
1 1415 . 1 2 2 B 29 29 LYS H H 127 7.944 8.099 -0.155 1
1 1416 . 1 2 2 B 29 29 LYS HA H 127 4.270 4.087 0.183 1
1 1425 . 1 2 2 B 29 29 LYS C C 127 176.951 176.901 0.050 1
1 1426 . 1 2 2 B 29 29 LYS CA C 127 57.168 58.976 -1.808 1
1 1427 . 1 2 2 B 29 29 LYS CB C 127 32.755 32.322 0.433 1
1 1431 . 1 2 2 B 29 29 LYS N N 127 119.960 120.056 -0.096 1
1 1432 . 1 2 2 B 30 30 SER H H 128 8.030 8.092 -0.062 1
1 1433 . 1 2 2 B 30 30 SER HA H 128 4.466 4.493 -0.027 1
1 1436 . 1 2 2 B 30 30 SER C C 128 176.101 173.986 2.115 1
1 1437 . 1 2 2 B 30 30 SER CA C 128 58.590 57.396 1.194 1
1 1438 . 1 2 2 B 30 30 SER CB C 128 63.939 63.262 0.677 1
1 1439 . 1 2 2 B 30 30 SER N N 128 115.496 110.554 4.942 1
1 1440 . 1 2 2 B 31 31 GLU H H 129 8.157 8.794 -0.637 1
1 1441 . 1 2 2 B 31 31 GLU HA H 129 4.291 4.489 -0.198 1
1 1446 . 1 2 2 B 31 31 GLU C C 129 175.112 176.946 -1.834 1
1 1447 . 1 2 2 B 31 31 GLU CA C 129 56.654 58.487 -1.833 1
1 1448 . 1 2 2 B 31 31 GLU CB C 129 30.389 30.695 -0.306 1
1 1450 . 1 2 2 B 31 31 GLU N N 129 122.569 125.730 -3.161 1
1 1 . 2 1 1 A 2 2 VAL H H 2 7.944 8.662 -0.718 1
1 2 . 2 1 1 A 2 2 VAL HA H 2 4.035 4.506 -0.471 1
1 10 . 2 1 1 A 2 2 VAL C C 2 174.807 177.137 -2.330 1
1 11 . 2 1 1 A 2 2 VAL CA C 2 61.947 61.730 0.217 1
1 12 . 2 1 1 A 2 2 VAL CB C 2 33.175 33.607 -0.432 1
1 15 . 2 1 1 A 2 2 VAL N N 2 123.960 120.169 3.791 1
1 16 . 2 1 1 A 3 3 GLU H H 3 8.465 8.088 0.377 1
1 17 . 2 1 1 A 3 3 GLU HA H 3 4.168 4.444 -0.276 1
1 22 . 2 1 1 A 3 3 GLU C C 3 175.888 176.794 -0.906 1
1 23 . 2 1 1 A 3 3 GLU CA C 3 56.487 58.177 -1.690 1
1 24 . 2 1 1 A 3 3 GLU CB C 3 30.349 30.672 -0.323 1
1 26 . 2 1 1 A 3 3 GLU N N 3 125.549 120.507 5.042 1
1 27 . 2 1 1 A 4 4 PHE H H 4 8.330 7.850 0.480 1
1 28 . 2 1 1 A 4 4 PHE HA H 4 4.651 4.857 -0.206 1
1 36 . 2 1 1 A 4 4 PHE C C 4 175.550 174.993 0.557 1
1 37 . 2 1 1 A 4 4 PHE CA C 4 57.827 57.642 0.185 1
1 38 . 2 1 1 A 4 4 PHE CB C 4 39.623 41.909 -2.286 1
1 44 . 2 1 1 A 4 4 PHE N N 4 121.869 117.878 3.991 1
1 45 . 2 1 1 A 5 5 SER H H 5 8.177 8.761 -0.584 1
1 46 . 2 1 1 A 5 5 SER HA H 5 4.395 4.166 0.229 1
1 49 . 2 1 1 A 5 5 SER C C 5 173.996 174.313 -0.317 1
1 50 . 2 1 1 A 5 5 SER CA C 5 58.045 58.921 -0.876 1
1 51 . 2 1 1 A 5 5 SER CB C 5 64.050 63.885 0.165 1
1 52 . 2 1 1 A 5 5 SER N N 5 117.865 123.469 -5.604 1
1 53 . 2 1 1 A 6 6 GLU H H 6 8.425 7.094 1.331 1
1 54 . 2 1 1 A 6 6 GLU HA H 6 4.290 3.242 1.048 1
1 59 . 2 1 1 A 6 6 GLU C C 6 176.699 176.087 0.612 1
1 60 . 2 1 1 A 6 6 GLU CA C 6 56.479 56.640 -0.161 1
1 61 . 2 1 1 A 6 6 GLU CB C 6 30.715 28.086 2.629 1
1 63 . 2 1 1 A 6 6 GLU N N 6 122.791 119.179 3.612 1
1 64 . 2 1 1 A 7 7 GLU H H 7 8.421 8.351 0.070 1
1 65 . 2 1 1 A 7 7 GLU HA H 7 4.742 4.103 0.639 1
1 70 . 2 1 1 A 7 7 GLU C C 7 175.145 176.729 -1.584 1
1 71 . 2 1 1 A 7 7 GLU CA C 7 55.617 58.209 -2.592 1
1 72 . 2 1 1 A 7 7 GLU CB C 7 29.095 29.395 -0.300 1
1 74 . 2 1 1 A 7 7 GLU N N 7 122.775 123.777 -1.002 1
1 75 . 2 1 1 A 8 8 CYS H H 8 7.917 7.711 0.206 1
1 76 . 2 1 1 A 8 8 CYS HA H 8 4.969 4.879 0.090 1
1 79 . 2 1 1 A 8 8 CYS C C 8 171.610 171.364 0.246 1
1 80 . 2 1 1 A 8 8 CYS CA C 8 53.880 54.708 -0.828 1
1 81 . 2 1 1 A 8 8 CYS CB C 8 43.144 45.477 -2.333 1
1 82 . 2 1 1 A 8 8 CYS N N 8 115.067 112.645 2.422 1
1 83 . 2 1 1 A 9 9 MET H H 9 9.379 9.162 0.217 1
1 84 . 2 1 1 A 9 9 MET HA H 9 5.049 5.116 -0.067 1
1 89 . 2 1 1 A 9 9 MET C C 9 174.038 174.717 -0.679 1
1 90 . 2 1 1 A 9 9 MET CA C 9 53.312 54.212 -0.900 1
1 91 . 2 1 1 A 9 9 MET CB C 9 36.165 37.515 -1.350 1
1 93 . 2 1 1 A 9 9 MET N N 9 117.763 120.992 -3.229 1
1 94 . 2 1 1 A 10 10 HIS H H 10 9.610 8.774 0.836 1
1 95 . 2 1 1 A 10 10 HIS HA H 10 4.877 4.644 0.233 1
1 102 . 2 1 1 A 10 10 HIS C C 10 176.698 177.215 -0.517 1
1 103 . 2 1 1 A 10 10 HIS CA C 10 55.016 57.335 -2.319 1
1 104 . 2 1 1 A 10 10 HIS CB C 10 31.116 30.448 0.668 1
1 107 . 2 1 1 A 10 10 HIS N N 10 124.293 122.154 2.139 1
1 108 . 2 1 1 A 11 11 GLY H H 11 9.249 8.278 0.971 1
1 109 . 2 1 1 A 11 11 GLY HA2 H 11 4.104 3.567 0.537 1
1 110 . 2 1 1 A 11 11 GLY HA3 H 11 3.843 3.655 0.188 1
1 111 . 2 1 1 A 11 11 GLY C C 11 174.559 176.005 -1.446 1
1 112 . 2 1 1 A 11 11 GLY CA C 11 47.652 47.389 0.263 1
1 113 . 2 1 1 A 11 11 GLY N N 11 115.224 113.217 2.007 1
1 114 . 2 1 1 A 12 12 SER H H 12 8.999 7.647 1.352 1
1 115 . 2 1 1 A 12 12 SER HA H 12 4.653 4.388 0.265 1
1 118 . 2 1 1 A 12 12 SER C C 12 176.178 175.889 0.289 1
1 119 . 2 1 1 A 12 12 SER CA C 12 57.731 59.518 -1.787 1
1 120 . 2 1 1 A 12 12 SER CB C 12 63.439 64.498 -1.059 1
1 121 . 2 1 1 A 12 12 SER N N 12 121.965 116.648 5.317 1
1 122 . 2 1 1 A 13 13 GLY H H 13 9.022 8.069 0.953 1
1 123 . 2 1 1 A 13 13 GLY HA2 H 13 4.052 3.956 0.096 1
1 124 . 2 1 1 A 13 13 GLY HA3 H 13 3.957 4.029 -0.072 1
1 125 . 2 1 1 A 13 13 GLY C C 13 176.178 175.083 1.095 1
1 126 . 2 1 1 A 13 13 GLY CA C 13 47.972 46.199 1.773 1
1 127 . 2 1 1 A 13 13 GLY N N 13 109.294 110.071 -0.777 1
1 128 . 2 1 1 A 14 14 GLU H H 14 9.552 8.154 1.398 1
1 129 . 2 1 1 A 14 14 GLU HA H 14 4.347 4.330 0.017 1
1 134 . 2 1 1 A 14 14 GLU C C 14 177.045 177.752 -0.707 1
1 135 . 2 1 1 A 14 14 GLU CA C 14 60.282 58.704 1.578 1
1 136 . 2 1 1 A 14 14 GLU CB C 14 29.145 29.675 -0.530 1
1 138 . 2 1 1 A 14 14 GLU N N 14 123.736 121.865 1.871 1
1 139 . 2 1 1 A 15 15 ASN H H 15 8.425 7.847 0.578 1
1 140 . 2 1 1 A 15 15 ASN HA H 15 5.030 4.816 0.214 1
1 144 . 2 1 1 A 15 15 ASN C C 15 174.848 174.768 0.080 1
1 145 . 2 1 1 A 15 15 ASN CA C 15 51.725 52.385 -0.660 1
1 146 . 2 1 1 A 15 15 ASN CB C 15 38.404 38.705 -0.301 1
1 147 . 2 1 1 A 15 15 ASN N N 15 112.918 116.578 -3.660 1
1 150 . 2 1 1 A 16 16 TYR H H 16 7.622 7.486 0.136 1
1 151 . 2 1 1 A 16 16 TYR HA H 16 4.445 4.753 -0.308 1
1 159 . 2 1 1 A 16 16 TYR C C 16 175.773 175.581 0.192 1
1 160 . 2 1 1 A 16 16 TYR CA C 16 60.125 57.153 2.972 1
1 161 . 2 1 1 A 16 16 TYR CB C 16 38.590 38.520 0.070 1
1 166 . 2 1 1 A 16 16 TYR N N 16 121.437 121.950 -0.513 1
1 167 . 2 1 1 A 17 17 ASP H H 17 8.722 8.894 -0.172 1
1 168 . 2 1 1 A 17 17 ASP HA H 17 4.599 4.667 -0.068 1
1 171 . 2 1 1 A 17 17 ASP C C 17 175.748 176.311 -0.563 1
1 172 . 2 1 1 A 17 17 ASP CA C 17 52.327 53.095 -0.768 1
1 173 . 2 1 1 A 17 17 ASP CB C 17 42.265 40.848 1.417 1
1 174 . 2 1 1 A 17 17 ASP N N 17 130.345 128.871 1.474 1
1 175 . 2 1 1 A 18 18 GLY H H 18 4.504 6.849 -2.345 1
1 176 . 2 1 1 A 18 18 GLY HA2 H 18 4.092 3.492 0.600 1
1 177 . 2 1 1 A 18 18 GLY HA3 H 18 3.786 3.760 0.026 1
1 178 . 2 1 1 A 18 18 GLY C C 18 174.732 173.907 0.825 1
1 179 . 2 1 1 A 18 18 GLY CA C 18 44.739 44.064 0.675 1
1 180 . 2 1 1 A 18 18 GLY N N 18 104.445 107.426 -2.981 1
1 181 . 2 1 1 A 19 19 LYS H H 19 9.272 8.393 0.879 1
1 182 . 2 1 1 A 19 19 LYS HA H 19 3.248 3.611 -0.363 1
1 191 . 2 1 1 A 19 19 LYS C C 19 176.409 175.708 0.701 1
1 192 . 2 1 1 A 19 19 LYS CA C 19 55.454 54.598 0.856 1
1 193 . 2 1 1 A 19 19 LYS CB C 19 32.499 31.750 0.749 1
1 197 . 2 1 1 A 19 19 LYS N N 19 117.569 119.359 -1.790 1
1 198 . 2 1 1 A 20 20 ILE H H 20 7.559 7.630 -0.071 1
1 199 . 2 1 1 A 20 20 ILE HA H 20 3.991 4.253 -0.262 1
1 209 . 2 1 1 A 20 20 ILE C C 20 176.756 176.025 0.731 1
1 210 . 2 1 1 A 20 20 ILE CA C 20 64.261 62.503 1.758 1
1 211 . 2 1 1 A 20 20 ILE CB C 20 36.212 38.408 -2.196 1
1 215 . 2 1 1 A 20 20 ILE N N 20 122.778 123.377 -0.599 1
1 216 . 2 1 1 A 21 21 SER H H 21 8.817 8.991 -0.174 1
1 217 . 2 1 1 A 21 21 SER HA H 21 5.128 5.091 0.037 1
1 220 . 2 1 1 A 21 21 SER C C 21 172.708 173.950 -1.242 1
1 221 . 2 1 1 A 21 21 SER CA C 21 57.513 57.417 0.096 1
1 222 . 2 1 1 A 21 21 SER CB C 21 65.126 64.834 0.292 1
1 223 . 2 1 1 A 21 21 SER N N 21 122.859 121.555 1.304 1
1 224 . 2 1 1 A 22 22 LYS H H 22 7.150 7.763 -0.613 1
1 225 . 2 1 1 A 22 22 LYS HA H 22 5.530 5.240 0.290 1
1 234 . 2 1 1 A 22 22 LYS C C 22 176.120 176.381 -0.261 1
1 235 . 2 1 1 A 22 22 LYS CA C 22 53.471 54.766 -1.295 1
1 236 . 2 1 1 A 22 22 LYS CB C 22 37.049 35.968 1.081 1
1 240 . 2 1 1 A 22 22 LYS N N 22 119.681 120.925 -1.244 1
1 241 . 2 1 1 A 23 23 THR H H 23 9.134 8.900 0.234 1
1 242 . 2 1 1 A 23 23 THR HA H 23 4.630 4.702 -0.072 1
1 248 . 2 1 1 A 23 23 THR C C 23 177.971 176.208 1.763 1
1 249 . 2 1 1 A 23 23 THR CA C 23 61.032 60.822 0.210 1
1 250 . 2 1 1 A 23 23 THR CB C 23 70.818 71.434 -0.616 1
1 252 . 2 1 1 A 23 23 THR N N 23 111.072 114.340 -3.268 1
1 253 . 2 1 1 A 24 24 MET H H 24 9.383 9.296 0.087 1
1 254 . 2 1 1 A 24 24 MET HA H 24 4.168 4.251 -0.083 1
1 259 . 2 1 1 A 24 24 MET C C 24 176.122 176.708 -0.586 1
1 260 . 2 1 1 A 24 24 MET CA C 24 58.704 57.625 1.079 1
1 261 . 2 1 1 A 24 24 MET CB C 24 32.546 32.373 0.173 1
1 263 . 2 1 1 A 24 24 MET N N 24 118.120 119.965 -1.845 1
1 264 . 2 1 1 A 25 25 SER H H 25 7.763 7.336 0.427 1
1 265 . 2 1 1 A 25 25 SER HA H 25 4.575 4.507 0.068 1
1 269 . 2 1 1 A 25 25 SER C C 25 174.848 175.865 -1.017 1
1 270 . 2 1 1 A 25 25 SER CA C 25 58.895 59.029 -0.134 1
1 271 . 2 1 1 A 25 25 SER CB C 25 62.844 65.019 -2.175 1
1 272 . 2 1 1 A 25 25 SER N N 25 113.626 110.815 2.811 1
1 273 . 2 1 1 A 26 26 GLY H H 26 8.136 8.235 -0.099 1
1 274 . 2 1 1 A 26 26 GLY HA2 H 26 4.305 3.964 0.341 1
1 275 . 2 1 1 A 26 26 GLY HA3 H 26 3.503 3.972 -0.469 1
1 276 . 2 1 1 A 26 26 GLY C C 26 174.212 174.880 -0.668 1
1 277 . 2 1 1 A 26 26 GLY CA C 26 45.125 45.389 -0.264 1
1 278 . 2 1 1 A 26 26 GLY N N 26 110.819 111.279 -0.460 1
1 279 . 2 1 1 A 27 27 LEU H H 27 7.183 8.070 -0.887 1
1 280 . 2 1 1 A 27 27 LEU HA H 27 4.319 4.458 -0.139 1
1 290 . 2 1 1 A 27 27 LEU C C 27 176.178 176.739 -0.561 1
1 291 . 2 1 1 A 27 27 LEU CA C 27 54.211 54.719 -0.508 1
1 292 . 2 1 1 A 27 27 LEU CB C 27 42.260 42.578 -0.318 1
1 296 . 2 1 1 A 27 27 LEU N N 27 120.765 121.758 -0.993 1
1 297 . 2 1 1 A 28 28 GLU H H 28 8.699 8.682 0.017 1
1 298 . 2 1 1 A 28 28 GLU HA H 28 4.506 4.466 0.040 1
1 303 . 2 1 1 A 28 28 GLU C C 28 177.161 176.562 0.599 1
1 304 . 2 1 1 A 28 28 GLU CA C 28 56.451 56.197 0.254 1
1 305 . 2 1 1 A 28 28 GLU CB C 28 30.018 30.287 -0.269 1
1 307 . 2 1 1 A 28 28 GLU N N 28 122.582 120.762 1.820 1
1 308 . 2 1 1 A 29 29 CYS H H 29 8.624 8.596 0.028 1
1 309 . 2 1 1 A 29 29 CYS HA H 29 4.812 4.966 -0.154 1
1 312 . 2 1 1 A 29 29 CYS C C 29 177.045 173.177 3.868 1
1 313 . 2 1 1 A 29 29 CYS CA C 29 55.189 56.275 -1.086 1
1 314 . 2 1 1 A 29 29 CYS CB C 29 37.938 43.001 -5.063 1
1 315 . 2 1 1 A 29 29 CYS N N 29 125.564 125.508 0.056 1
1 316 . 2 1 1 A 30 30 GLN H H 30 9.664 9.148 0.516 1
1 317 . 2 1 1 A 30 30 GLN HA H 30 3.841 4.522 -0.681 1
1 324 . 2 1 1 A 30 30 GLN C C 30 175.310 175.984 -0.674 1
1 325 . 2 1 1 A 30 30 GLN CA C 30 55.501 54.790 0.711 1
1 326 . 2 1 1 A 30 30 GLN CB C 30 29.943 30.130 -0.187 1
1 328 . 2 1 1 A 30 30 GLN N N 30 127.687 125.740 1.947 1
1 330 . 2 1 1 A 31 31 ALA H H 31 8.728 8.783 -0.055 1
1 331 . 2 1 1 A 31 31 ALA HA H 31 4.052 4.389 -0.337 1
1 335 . 2 1 1 A 31 31 ALA C C 31 178.722 178.651 0.071 1
1 336 . 2 1 1 A 31 31 ALA CA C 31 52.327 52.836 -0.509 1
1 337 . 2 1 1 A 31 31 ALA CB C 31 18.034 19.231 -1.197 1
1 338 . 2 1 1 A 31 31 ALA N N 31 128.680 128.704 -0.024 1
1 339 . 2 1 1 A 32 32 TRP H H 32 7.703 8.758 -1.055 1
1 340 . 2 1 1 A 32 32 TRP HA H 32 4.244 4.604 -0.360 1
1 349 . 2 1 1 A 32 32 TRP C C 32 177.566 178.526 -0.960 1
1 350 . 2 1 1 A 32 32 TRP CA C 32 59.531 60.149 -0.618 1
1 351 . 2 1 1 A 32 32 TRP CB C 32 29.953 29.257 0.696 1
1 357 . 2 1 1 A 32 32 TRP N N 32 123.505 124.387 -0.882 1
1 359 . 2 1 1 A 33 33 ASP H H 33 8.797 8.031 0.766 1
1 360 . 2 1 1 A 33 33 ASP HA H 33 4.634 4.708 -0.074 1
1 363 . 2 1 1 A 33 33 ASP C C 33 175.831 175.920 -0.089 1
1 364 . 2 1 1 A 33 33 ASP CA C 33 54.398 56.275 -1.877 1
1 365 . 2 1 1 A 33 33 ASP CB C 33 40.707 41.248 -0.541 1
1 366 . 2 1 1 A 33 33 ASP N N 33 113.424 120.422 -6.998 1
1 367 . 2 1 1 A 34 34 SER H H 34 8.039 7.969 0.070 1
1 368 . 2 1 1 A 34 34 SER HA H 34 4.737 4.658 0.079 1
1 372 . 2 1 1 A 34 34 SER C C 34 174.096 174.736 -0.640 1
1 373 . 2 1 1 A 34 34 SER CA C 34 56.454 56.460 -0.006 1
1 374 . 2 1 1 A 34 34 SER CB C 34 65.137 64.892 0.245 1
1 375 . 2 1 1 A 34 34 SER N N 34 114.429 116.091 -1.662 1
1 376 . 2 1 1 A 35 35 GLN H H 35 8.387 8.609 -0.222 1
1 377 . 2 1 1 A 35 35 GLN HA H 35 4.426 4.190 0.236 1
1 384 . 2 1 1 A 35 35 GLN C C 35 173.518 175.232 -1.714 1
1 385 . 2 1 1 A 35 35 GLN CA C 35 54.020 55.913 -1.893 1
1 386 . 2 1 1 A 35 35 GLN CB C 35 28.804 29.037 -0.233 1
1 388 . 2 1 1 A 35 35 GLN N N 35 123.700 124.613 -0.913 1
1 390 . 2 1 1 A 36 36 SER H H 36 7.746 7.254 0.492 1
1 391 . 2 1 1 A 36 36 SER HA H 36 4.466 4.795 -0.329 1
1 395 . 2 1 1 A 36 36 SER C C 36 172.824 173.874 -1.050 1
1 396 . 2 1 1 A 36 36 SER CA C 36 54.749 55.035 -0.286 1
1 397 . 2 1 1 A 36 36 SER CB C 36 65.162 65.161 0.001 1
1 398 . 2 1 1 A 36 36 SER N N 36 112.974 111.505 1.469 1
1 399 . 2 1 1 A 37 37 PRO HA H 37 4.382 4.461 -0.079 1
1 406 . 2 1 1 A 37 37 PRO C C 37 176.351 176.034 0.317 1
1 407 . 2 1 1 A 37 37 PRO CA C 37 64.110 63.621 0.489 1
1 408 . 2 1 1 A 37 37 PRO CB C 37 33.670 31.980 1.690 1
1 411 . 2 1 1 A 38 38 HIS H H 38 8.764 7.341 1.423 1
1 412 . 2 1 1 A 38 38 HIS HA H 38 4.897 4.753 0.144 1
1 417 . 2 1 1 A 38 38 HIS C C 38 178.144 174.825 3.319 1
1 418 . 2 1 1 A 38 38 HIS CA C 38 55.580 55.665 -0.085 1
1 419 . 2 1 1 A 38 38 HIS CB C 38 30.421 31.015 -0.594 1
1 422 . 2 1 1 A 38 38 HIS N N 38 122.516 116.981 5.535 1
1 423 . 2 1 1 A 39 39 ALA H H 39 8.673 8.581 0.092 1
1 424 . 2 1 1 A 39 39 ALA HA H 39 4.493 4.748 -0.255 1
1 428 . 2 1 1 A 39 39 ALA C C 39 178.375 176.967 1.408 1
1 429 . 2 1 1 A 39 39 ALA CA C 39 51.440 51.236 0.204 1
1 430 . 2 1 1 A 39 39 ALA CB C 39 18.980 20.219 -1.239 1
1 431 . 2 1 1 A 39 39 ALA N N 39 128.546 125.809 2.737 1
1 432 . 2 1 1 A 40 40 HIS H H 40 9.291 9.112 0.179 1
1 433 . 2 1 1 A 40 40 HIS HA H 40 4.734 5.557 -0.823 1
1 439 . 2 1 1 A 40 40 HIS C C 40 175.484 174.980 0.504 1
1 440 . 2 1 1 A 40 40 HIS CA C 40 56.141 53.768 2.373 1
1 441 . 2 1 1 A 40 40 HIS CB C 40 35.545 32.924 2.621 1
1 444 . 2 1 1 A 40 40 HIS N N 40 120.682 116.792 3.890 1
1 445 . 2 1 1 A 41 41 GLY H H 41 9.080 8.761 0.319 1
1 446 . 2 1 1 A 41 41 GLY HA2 H 41 4.602 3.999 0.603 1
1 447 . 2 1 1 A 41 41 GLY HA3 H 41 3.671 4.062 -0.391 1
1 448 . 2 1 1 A 41 41 GLY C C 41 176.409 174.025 2.384 1
1 449 . 2 1 1 A 41 41 GLY CA C 41 44.724 45.422 -0.698 1
1 450 . 2 1 1 A 41 41 GLY N N 41 106.159 108.588 -2.429 1
1 451 . 2 1 1 A 42 42 TYR H H 42 11.980 8.109 3.871 1
1 452 . 2 1 1 A 42 42 TYR HA H 42 4.616 5.097 -0.481 1
1 459 . 2 1 1 A 42 42 TYR C C 42 174.385 175.224 -0.839 1
1 460 . 2 1 1 A 42 42 TYR CA C 42 57.579 56.809 0.770 1
1 461 . 2 1 1 A 42 42 TYR CB C 42 36.198 36.231 -0.033 1
1 466 . 2 1 1 A 42 42 TYR N N 42 133.554 120.561 12.993 1
1 467 . 2 1 1 A 43 43 ILE H H 43 7.120 8.549 -1.429 1
1 468 . 2 1 1 A 43 43 ILE HA H 43 4.630 4.717 -0.087 1
1 478 . 2 1 1 A 43 43 ILE C C 43 177.219 176.205 1.014 1
1 479 . 2 1 1 A 43 43 ILE CA C 43 58.201 58.340 -0.139 1
1 480 . 2 1 1 A 43 43 ILE CB C 43 38.761 37.888 0.873 1
1 484 . 2 1 1 A 43 43 ILE N N 43 118.881 125.392 -6.511 1
1 485 . 2 1 1 A 44 44 PRO HA H 44 4.193 4.461 -0.268 1
1 492 . 2 1 1 A 44 44 PRO C C 44 178.780 177.698 1.082 1
1 493 . 2 1 1 A 44 44 PRO CA C 44 67.061 64.454 2.607 1
1 494 . 2 1 1 A 44 44 PRO CB C 44 32.267 31.940 0.327 1
1 497 . 2 1 1 A 45 45 SER H H 45 7.984 8.357 -0.373 1
1 498 . 2 1 1 A 45 45 SER HA H 45 4.087 4.271 -0.184 1
1 502 . 2 1 1 A 45 45 SER C C 45 176.004 176.112 -0.108 1
1 503 . 2 1 1 A 45 45 SER CA C 45 60.161 61.103 -0.942 1
1 504 . 2 1 1 A 45 45 SER CB C 45 62.260 63.032 -0.772 1
1 505 . 2 1 1 A 45 45 SER N N 45 107.865 113.015 -5.150 1
1 506 . 2 1 1 A 46 46 LYS H H 46 7.769 7.757 0.012 1
1 507 . 2 1 1 A 46 46 LYS HA H 46 3.965 4.100 -0.135 1
1 516 . 2 1 1 A 46 46 LYS C C 46 175.831 176.437 -0.606 1
1 517 . 2 1 1 A 46 46 LYS CA C 46 57.349 57.420 -0.071 1
1 518 . 2 1 1 A 46 46 LYS CB C 46 33.283 32.441 0.842 1
1 522 . 2 1 1 A 46 46 LYS N N 46 121.944 118.431 3.513 1
1 523 . 2 1 1 A 47 47 PHE H H 47 7.018 7.587 -0.569 1
1 524 . 2 1 1 A 47 47 PHE HA H 47 5.244 5.104 0.140 1
1 532 . 2 1 1 A 47 47 PHE C C 47 174.790 174.523 0.267 1
1 533 . 2 1 1 A 47 47 PHE CA C 47 54.142 54.771 -0.629 1
1 534 . 2 1 1 A 47 47 PHE CB C 47 39.434 38.739 0.695 1
1 539 . 2 1 1 A 47 47 PHE N N 47 115.480 118.563 -3.083 1
1 540 . 2 1 1 A 48 48 PRO HA H 48 4.472 4.700 -0.228 1
1 547 . 2 1 1 A 48 48 PRO C C 48 177.681 177.957 -0.276 1
1 548 . 2 1 1 A 48 48 PRO CA C 48 65.513 64.607 0.906 1
1 549 . 2 1 1 A 48 48 PRO CB C 48 31.712 31.965 -0.253 1
1 552 . 2 1 1 A 49 49 ASN H H 49 8.559 8.961 -0.402 1
1 553 . 2 1 1 A 49 49 ASN HA H 49 4.818 4.504 0.314 1
1 558 . 2 1 1 A 49 49 ASN C C 49 175.715 176.542 -0.827 1
1 559 . 2 1 1 A 49 49 ASN CA C 49 53.372 54.903 -1.531 1
1 560 . 2 1 1 A 49 49 ASN CB C 49 37.351 37.160 0.191 1
1 561 . 2 1 1 A 49 49 ASN N N 49 114.836 115.911 -1.075 1
1 563 . 2 1 1 A 50 50 LYS H H 50 7.627 7.580 0.047 1
1 564 . 2 1 1 A 50 50 LYS HA H 50 4.480 4.334 0.146 1
1 573 . 2 1 1 A 50 50 LYS C C 50 175.079 175.728 -0.649 1
1 574 . 2 1 1 A 50 50 LYS CA C 50 53.336 55.855 -2.519 1
1 575 . 2 1 1 A 50 50 LYS CB C 50 31.284 32.337 -1.053 1
1 579 . 2 1 1 A 50 50 LYS N N 50 116.224 117.783 -1.559 1
1 580 . 2 1 1 A 51 51 ASN H H 51 7.945 8.123 -0.178 1
1 581 . 2 1 1 A 51 51 ASN HA H 51 4.304 4.405 -0.101 1
1 586 . 2 1 1 A 51 51 ASN C C 51 175.195 175.610 -0.415 1
1 587 . 2 1 1 A 51 51 ASN CA C 51 54.089 53.947 0.142 1
1 588 . 2 1 1 A 51 51 ASN CB C 51 36.504 36.902 -0.398 1
1 589 . 2 1 1 A 51 51 ASN N N 51 115.331 116.836 -1.505 1
1 591 . 2 1 1 A 52 52 LEU H H 52 8.803 7.851 0.952 1
1 592 . 2 1 1 A 52 52 LEU HA H 52 3.412 4.008 -0.596 1
1 602 . 2 1 1 A 52 52 LEU C C 52 174.674 174.674 0.000 1
1 603 . 2 1 1 A 52 52 LEU CA C 52 53.983 53.748 0.235 1
1 604 . 2 1 1 A 52 52 LEU CB C 52 42.471 40.592 1.879 1
1 608 . 2 1 1 A 52 52 LEU N N 52 121.765 121.237 0.528 1
1 609 . 2 1 1 A 53 53 LYS H H 53 7.099 8.235 -1.136 1
1 610 . 2 1 1 A 53 53 LYS HA H 53 4.324 4.637 -0.313 1
1 619 . 2 1 1 A 53 53 LYS C C 53 173.460 176.631 -3.171 1
1 620 . 2 1 1 A 53 53 LYS CA C 53 54.843 54.798 0.045 1
1 621 . 2 1 1 A 53 53 LYS CB C 53 36.395 34.662 1.733 1
1 625 . 2 1 1 A 53 53 LYS N N 53 124.403 123.794 0.609 1
1 626 . 2 1 1 A 54 54 LYS H H 54 8.805 8.905 -0.100 1
1 627 . 2 1 1 A 54 54 LYS HA H 54 3.692 3.829 -0.137 1
1 636 . 2 1 1 A 54 54 LYS C C 54 173.344 176.040 -2.696 1
1 637 . 2 1 1 A 54 54 LYS CA C 54 56.366 57.854 -1.488 1
1 638 . 2 1 1 A 54 54 LYS CB C 54 29.830 30.349 -0.519 1
1 642 . 2 1 1 A 54 54 LYS N N 54 118.125 117.241 0.884 1
1 643 . 2 1 1 A 55 55 ASN H H 55 7.567 8.417 -0.850 1
1 644 . 2 1 1 A 55 55 ASN HA H 55 4.643 4.718 -0.075 1
1 649 . 2 1 1 A 55 55 ASN C C 55 172.188 175.207 -3.019 1
1 650 . 2 1 1 A 55 55 ASN CA C 55 51.091 51.599 -0.508 1
1 651 . 2 1 1 A 55 55 ASN CB C 55 37.234 37.961 -0.727 1
1 652 . 2 1 1 A 55 55 ASN N N 55 123.893 121.684 2.209 1
1 654 . 2 1 1 A 56 56 TYR H H 56 7.584 7.523 0.061 1
1 655 . 2 1 1 A 56 56 TYR HA H 56 4.892 5.061 -0.169 1
1 662 . 2 1 1 A 56 56 TYR C C 56 177.276 175.974 1.302 1
1 663 . 2 1 1 A 56 56 TYR CA C 56 54.447 58.785 -4.338 1
1 664 . 2 1 1 A 56 56 TYR CB C 56 38.633 39.328 -0.695 1
1 669 . 2 1 1 A 56 56 TYR N N 56 115.237 120.188 -4.951 1
1 670 . 2 1 1 A 57 57 CYS H H 57 9.149 9.257 -0.108 1
1 671 . 2 1 1 A 57 57 CYS HA H 57 4.398 4.854 -0.456 1
1 674 . 2 1 1 A 57 57 CYS C C 57 175.600 174.463 1.137 1
1 675 . 2 1 1 A 57 57 CYS CA C 57 59.824 56.851 2.973 1
1 676 . 2 1 1 A 57 57 CYS CB C 57 48.356 42.358 5.998 1
1 677 . 2 1 1 A 57 57 CYS N N 57 119.273 121.822 -2.549 1
1 678 . 2 1 1 A 58 58 ARG H H 58 9.138 8.591 0.547 1
1 679 . 2 1 1 A 58 58 ARG HA H 58 4.918 5.241 -0.323 1
1 687 . 2 1 1 A 58 58 ARG C C 58 173.576 174.413 -0.837 1
1 688 . 2 1 1 A 58 58 ARG CA C 58 53.187 54.341 -1.154 1
1 689 . 2 1 1 A 58 58 ARG CB C 58 29.412 34.552 -5.140 1
1 692 . 2 1 1 A 58 58 ARG N N 58 122.881 124.669 -1.788 1
1 694 . 2 1 1 A 59 59 ASN H H 59 8.868 8.633 0.235 1
1 695 . 2 1 1 A 59 59 ASN HA H 59 5.513 5.043 0.470 1
1 700 . 2 1 1 A 59 59 ASN C C 59 172.824 174.377 -1.553 1
1 701 . 2 1 1 A 59 59 ASN CA C 59 53.176 50.098 3.078 1
1 702 . 2 1 1 A 59 59 ASN CB C 59 37.237 39.378 -2.141 1
1 703 . 2 1 1 A 59 59 ASN N N 59 113.603 119.393 -5.790 1
1 705 . 2 1 1 A 60 60 PRO HA H 60 4.712 4.358 0.354 1
1 712 . 2 1 1 A 60 60 PRO C C 60 175.715 177.613 -1.898 1
1 713 . 2 1 1 A 60 60 PRO CA C 60 63.643 64.203 -0.560 1
1 714 . 2 1 1 A 60 60 PRO CB C 60 32.507 31.821 0.686 1
1 717 . 2 1 1 A 61 61 ASP H H 61 8.883 7.949 0.934 1
1 718 . 2 1 1 A 61 61 ASP HA H 61 4.495 4.497 -0.002 1
1 721 . 2 1 1 A 61 61 ASP C C 61 174.848 175.133 -0.285 1
1 722 . 2 1 1 A 61 61 ASP CA C 61 51.953 52.987 -1.034 1
1 723 . 2 1 1 A 61 61 ASP CB C 61 42.092 39.827 2.265 1
1 724 . 2 1 1 A 61 61 ASP N N 61 118.660 116.137 2.523 1
1 725 . 2 1 1 A 62 62 ARG H H 62 8.395 7.759 0.636 1
1 726 . 2 1 1 A 62 62 ARG HA H 62 3.789 3.868 -0.079 1
1 734 . 2 1 1 A 62 62 ARG C C 62 176.236 174.561 1.675 1
1 735 . 2 1 1 A 62 62 ARG CA C 62 57.318 57.027 0.291 1
1 736 . 2 1 1 A 62 62 ARG CB C 62 26.990 27.497 -0.507 1
1 739 . 2 1 1 A 62 62 ARG N N 62 116.013 114.945 1.068 1
1 741 . 2 1 1 A 63 63 ASP H H 63 9.735 8.224 1.511 1
1 742 . 2 1 1 A 63 63 ASP HA H 63 4.769 4.695 0.074 1
1 745 . 2 1 1 A 63 63 ASP C C 63 177.334 176.778 0.556 1
1 746 . 2 1 1 A 63 63 ASP CA C 63 51.973 52.800 -0.827 1
1 747 . 2 1 1 A 63 63 ASP CB C 63 42.698 42.585 0.113 1
1 748 . 2 1 1 A 63 63 ASP N N 63 121.799 117.774 4.025 1
1 749 . 2 1 1 A 64 64 LEU H H 64 10.919 8.614 2.305 1
1 750 . 2 1 1 A 64 64 LEU HA H 64 3.995 4.088 -0.093 1
1 760 . 2 1 1 A 64 64 LEU C C 64 176.467 176.942 -0.475 1
1 761 . 2 1 1 A 64 64 LEU CA C 64 57.772 57.031 0.741 1
1 762 . 2 1 1 A 64 64 LEU CB C 64 43.630 42.504 1.126 1
1 766 . 2 1 1 A 64 64 LEU N N 64 121.789 122.665 -0.876 1
1 767 . 2 1 1 A 65 65 ARG H H 65 7.633 7.807 -0.174 1
1 768 . 2 1 1 A 65 65 ARG HA H 65 5.006 4.857 0.149 1
1 776 . 2 1 1 A 65 65 ARG C C 65 172.130 174.137 -2.007 1
1 777 . 2 1 1 A 65 65 ARG CA C 65 53.368 54.253 -0.885 1
1 778 . 2 1 1 A 65 65 ARG CB C 65 28.429 32.577 -4.148 1
1 781 . 2 1 1 A 65 65 ARG N N 65 108.790 113.216 -4.426 1
1 783 . 2 1 1 A 66 66 PRO HA H 66 4.281 4.658 -0.377 1
1 790 . 2 1 1 A 66 66 PRO C C 66 172.940 176.097 -3.157 1
1 791 . 2 1 1 A 66 66 PRO CA C 66 63.677 63.154 0.523 1
1 792 . 2 1 1 A 66 66 PRO CB C 66 32.592 32.861 -0.269 1
1 795 . 2 1 1 A 67 67 TRP H H 67 8.716 8.761 -0.045 1
1 796 . 2 1 1 A 67 67 TRP HA H 67 5.406 5.336 0.070 1
1 805 . 2 1 1 A 67 67 TRP C C 67 172.919 173.833 -0.914 1
1 806 . 2 1 1 A 67 67 TRP CA C 67 56.035 55.291 0.744 1
1 807 . 2 1 1 A 67 67 TRP CB C 67 34.026 32.081 1.945 1
1 813 . 2 1 1 A 67 67 TRP N N 67 121.250 117.910 3.340 1
1 815 . 2 1 1 A 68 68 CYS H H 68 8.384 9.129 -0.745 1
1 816 . 2 1 1 A 68 68 CYS HA H 68 4.265 4.809 -0.544 1
1 819 . 2 1 1 A 68 68 CYS C C 68 175.079 173.003 2.076 1
1 820 . 2 1 1 A 68 68 CYS CA C 68 55.876 55.521 0.355 1
1 821 . 2 1 1 A 68 68 CYS CB C 68 42.232 46.001 -3.769 1
1 822 . 2 1 1 A 68 68 CYS N N 68 109.624 117.595 -7.971 1
1 823 . 2 1 1 A 69 69 PHE H H 69 8.031 8.406 -0.375 1
1 824 . 2 1 1 A 69 69 PHE HA H 69 5.420 4.998 0.422 1
1 832 . 2 1 1 A 69 69 PHE C C 69 176.814 175.795 1.019 1
1 833 . 2 1 1 A 69 69 PHE CA C 69 59.299 57.896 1.403 1
1 834 . 2 1 1 A 69 69 PHE CB C 69 38.411 39.764 -1.353 1
1 840 . 2 1 1 A 69 69 PHE N N 69 120.433 121.620 -1.187 1
1 841 . 2 1 1 A 70 70 THR H H 70 8.002 8.287 -0.285 1
1 842 . 2 1 1 A 70 70 THR HA H 70 5.408 5.001 0.407 1
1 848 . 2 1 1 A 70 70 THR C C 70 173.518 175.041 -1.523 1
1 849 . 2 1 1 A 70 70 THR CA C 70 61.208 60.091 1.117 1
1 850 . 2 1 1 A 70 70 THR CB C 70 70.441 70.891 -0.450 1
1 852 . 2 1 1 A 70 70 THR N N 70 112.351 114.153 -1.802 1
1 853 . 2 1 1 A 71 71 THR H H 71 8.126 8.460 -0.334 1
1 854 . 2 1 1 A 71 71 THR HA H 71 4.037 4.490 -0.453 1
1 860 . 2 1 1 A 71 71 THR C C 71 174.903 173.709 1.194 1
1 861 . 2 1 1 A 71 71 THR CA C 71 62.413 63.399 -0.986 1
1 862 . 2 1 1 A 71 71 THR CB C 71 69.167 69.413 -0.246 1
1 864 . 2 1 1 A 71 71 THR N N 71 104.863 116.169 -11.306 1
1 865 . 2 1 1 A 72 72 ASP H H 72 9.024 7.726 1.298 1
1 866 . 2 1 1 A 72 72 ASP HA H 72 4.936 4.812 0.124 1
1 869 . 2 1 1 A 72 72 ASP C C 72 176.929 176.262 0.667 1
1 870 . 2 1 1 A 72 72 ASP CA C 72 51.333 52.243 -0.910 1
1 871 . 2 1 1 A 72 72 ASP CB C 72 43.416 42.263 1.153 1
1 872 . 2 1 1 A 72 72 ASP N N 72 126.242 121.978 4.264 1
1 873 . 2 1 1 A 73 73 PRO HA H 73 3.962 4.418 -0.456 1
1 880 . 2 1 1 A 73 73 PRO C C 73 177.045 178.139 -1.094 1
1 881 . 2 1 1 A 73 73 PRO CA C 73 64.632 64.484 0.148 1
1 882 . 2 1 1 A 73 73 PRO CB C 73 32.460 31.879 0.581 1
1 885 . 2 1 1 A 74 74 ASN H H 74 8.943 8.321 0.622 1
1 886 . 2 1 1 A 74 74 ASN HA H 74 4.854 4.597 0.257 1
1 891 . 2 1 1 A 74 74 ASN C C 74 174.443 175.497 -1.054 1
1 892 . 2 1 1 A 74 74 ASN CA C 74 53.380 55.876 -2.496 1
1 893 . 2 1 1 A 74 74 ASN CB C 74 39.333 39.371 -0.038 1
1 894 . 2 1 1 A 74 74 ASN N N 74 114.144 114.927 -0.783 1
1 896 . 2 1 1 A 75 75 LYS H H 75 7.795 7.667 0.128 1
1 897 . 2 1 1 A 75 75 LYS HA H 75 4.571 4.376 0.195 1
1 906 . 2 1 1 A 75 75 LYS C C 75 173.402 176.589 -3.187 1
1 907 . 2 1 1 A 75 75 LYS CA C 75 54.154 55.504 -1.350 1
1 908 . 2 1 1 A 75 75 LYS CB C 75 32.186 33.095 -0.909 1
1 912 . 2 1 1 A 75 75 LYS N N 75 122.835 118.083 4.752 1
1 913 . 2 1 1 A 76 76 ARG H H 76 9.132 8.807 0.325 1
1 914 . 2 1 1 A 76 76 ARG HA H 76 4.555 3.711 0.844 1
1 922 . 2 1 1 A 76 76 ARG C C 76 175.137 175.973 -0.836 1
1 923 . 2 1 1 A 76 76 ARG CA C 76 60.532 57.746 2.786 1
1 924 . 2 1 1 A 76 76 ARG CB C 76 29.307 31.509 -2.202 1
1 927 . 2 1 1 A 76 76 ARG N N 76 129.676 125.501 4.175 1
1 929 . 2 1 1 A 77 77 TRP H H 77 7.559 7.396 0.163 1
1 930 . 2 1 1 A 77 77 TRP HA H 77 5.357 5.154 0.203 1
1 939 . 2 1 1 A 77 77 TRP C C 77 172.940 174.158 -1.218 1
1 940 . 2 1 1 A 77 77 TRP CA C 77 55.044 55.635 -0.591 1
1 941 . 2 1 1 A 77 77 TRP CB C 77 31.951 31.598 0.353 1
1 947 . 2 1 1 A 77 77 TRP N N 77 109.174 114.246 -5.072 1
1 949 . 2 1 1 A 78 78 GLU H H 78 8.638 9.023 -0.385 1
1 950 . 2 1 1 A 78 78 GLU HA H 78 3.671 4.548 -0.877 1
1 955 . 2 1 1 A 78 78 GLU C C 78 174.501 175.495 -0.994 1
1 956 . 2 1 1 A 78 78 GLU CA C 78 55.659 54.236 1.423 1
1 957 . 2 1 1 A 78 78 GLU CB C 78 34.557 34.190 0.367 1
1 959 . 2 1 1 A 78 78 GLU N N 78 118.907 119.202 -0.295 1
1 960 . 2 1 1 A 79 79 TYR H H 79 7.636 8.868 -1.232 1
1 961 . 2 1 1 A 79 79 TYR HA H 79 4.995 5.013 -0.018 1
1 968 . 2 1 1 A 79 79 TYR C C 79 175.889 175.410 0.479 1
1 969 . 2 1 1 A 79 79 TYR CA C 79 60.120 58.516 1.604 1
1 970 . 2 1 1 A 79 79 TYR CB C 79 39.789 39.410 0.379 1
1 975 . 2 1 1 A 79 79 TYR N N 79 119.277 119.328 -0.051 1
1 976 . 2 1 1 A 80 80 CYS H H 80 9.398 9.332 0.066 1
1 977 . 2 1 1 A 80 80 CYS HA H 80 4.720 5.468 -0.748 1
1 980 . 2 1 1 A 80 80 CYS C C 80 172.419 171.671 0.748 1
1 981 . 2 1 1 A 80 80 CYS CA C 80 54.618 54.923 -0.305 1
1 982 . 2 1 1 A 80 80 CYS CB C 80 46.736 45.891 0.845 1
1 983 . 2 1 1 A 80 80 CYS N N 80 118.623 120.500 -1.877 1
1 984 . 2 1 1 A 81 81 ASP H H 81 9.729 8.978 0.751 1
1 985 . 2 1 1 A 81 81 ASP HA H 81 4.781 4.926 -0.145 1
1 988 . 2 1 1 A 81 81 ASP C C 81 173.576 174.637 -1.061 1
1 989 . 2 1 1 A 81 81 ASP CA C 81 52.855 52.902 -0.047 1
1 990 . 2 1 1 A 81 81 ASP CB C 81 40.733 41.774 -1.041 1
1 991 . 2 1 1 A 81 81 ASP N N 81 124.777 125.162 -0.385 1
1 992 . 2 1 1 A 82 82 ILE H H 82 7.820 8.676 -0.856 1
1 993 . 2 1 1 A 82 82 ILE HA H 82 4.320 4.473 -0.153 1
1 1003 . 2 1 1 A 82 82 ILE C C 82 173.923 174.106 -0.183 1
1 1004 . 2 1 1 A 82 82 ILE CA C 82 56.118 57.429 -1.311 1
1 1005 . 2 1 1 A 82 82 ILE CB C 82 38.166 38.212 -0.046 1
1 1009 . 2 1 1 A 82 82 ILE N N 82 125.281 126.564 -1.283 1
1 1010 . 2 1 1 A 83 83 PRO HA H 83 4.337 4.356 -0.019 1
1 1017 . 2 1 1 A 83 83 PRO C C 83 175.167 175.759 -0.592 1
1 1018 . 2 1 1 A 83 83 PRO CA C 83 62.844 63.325 -0.481 1
1 1019 . 2 1 1 A 83 83 PRO CB C 83 32.450 31.878 0.572 1
1 1022 . 2 1 1 A 84 84 ARG H H 84 8.656 8.446 0.210 1
1 1023 . 2 1 1 A 84 84 ARG HA H 84 4.658 4.650 0.008 1
1 1031 . 2 1 1 A 84 84 ARG C C 84 175.137 174.908 0.229 1
1 1032 . 2 1 1 A 84 84 ARG CA C 84 55.617 55.604 0.013 1
1 1033 . 2 1 1 A 84 84 ARG CB C 84 30.482 30.977 -0.495 1
1 1036 . 2 1 1 A 84 84 ARG N N 84 122.316 123.215 -0.899 1
1 1038 . 2 1 1 A 85 85 CYS H H 85 8.783 8.921 -0.138 1
1 1039 . 2 1 1 A 85 85 CYS HA H 85 4.479 5.324 -0.845 1
1 1042 . 2 1 1 A 85 85 CYS C C 85 174.906 172.356 2.550 1
1 1043 . 2 1 1 A 85 85 CYS CA C 85 54.177 54.654 -0.477 1
1 1044 . 2 1 1 A 85 85 CYS CB C 85 39.574 46.543 -6.969 1
1 1045 . 2 1 1 A 85 85 CYS N N 85 124.002 123.337 0.665 1
1 1046 . 2 1 1 A 86 86 ALA H H 86 8.746 8.407 0.339 1
1 1047 . 2 1 1 A 86 86 ALA HA H 86 4.255 4.601 -0.346 1
1 1051 . 2 1 1 A 86 86 ALA C C 86 176.236 176.420 -0.184 1
1 1052 . 2 1 1 A 86 86 ALA CA C 86 53.067 51.070 1.997 1
1 1053 . 2 1 1 A 86 86 ALA CB C 86 19.034 19.527 -0.493 1
1 1054 . 2 1 1 A 86 86 ALA N N 86 126.444 124.257 2.187 1
1 1064 . 2 2 2 B 2 2 SER HA H 100 4.570 4.798 -0.228 1
1 1067 . 2 2 2 B 2 2 SER C C 100 174.779 173.897 0.882 1
1 1068 . 2 2 2 B 2 2 SER CA C 100 58.624 57.026 1.598 1
1 1069 . 2 2 2 B 2 2 SER CB C 100 63.939 63.824 0.115 1
1 1070 . 2 2 2 B 3 3 VAL H H 101 8.341 8.134 0.207 1
1 1071 . 2 2 2 B 3 3 VAL HA H 101 4.151 3.875 0.276 1
1 1079 . 2 2 2 B 3 3 VAL C C 101 176.450 176.526 -0.076 1
1 1080 . 2 2 2 B 3 3 VAL CA C 101 62.793 65.205 -2.412 1
1 1081 . 2 2 2 B 3 3 VAL CB C 101 32.495 31.425 1.070 1
1 1084 . 2 2 2 B 3 3 VAL N N 101 121.954 122.578 -0.624 1
1 1085 . 2 2 2 B 4 4 GLU H H 102 8.521 7.910 0.611 1
1 1086 . 2 2 2 B 4 4 GLU HA H 102 4.291 4.517 -0.226 1
1 1091 . 2 2 2 B 4 4 GLU C C 102 176.450 177.223 -0.773 1
1 1092 . 2 2 2 B 4 4 GLU CA C 102 56.955 56.769 0.186 1
1 1093 . 2 2 2 B 4 4 GLU CB C 102 30.233 31.843 -1.610 1
1 1095 . 2 2 2 B 4 4 GLU N N 102 124.722 118.940 5.782 1
1 1096 . 2 2 2 B 5 5 LYS H H 103 8.323 8.134 0.189 1
1 1097 . 2 2 2 B 5 5 LYS HA H 103 4.313 3.967 0.346 1
1 1106 . 2 2 2 B 5 5 LYS C C 103 176.784 176.621 0.163 1
1 1107 . 2 2 2 B 5 5 LYS CA C 103 56.688 57.569 -0.881 1
1 1108 . 2 2 2 B 5 5 LYS CB C 103 30.228 31.750 -1.522 1
1 1112 . 2 2 2 B 5 5 LYS N N 103 122.689 119.932 2.757 1
1 1113 . 2 2 2 B 6 6 LEU H H 104 8.369 8.285 0.084 1
1 1114 . 2 2 2 B 6 6 LEU HA H 104 4.500 4.295 0.205 1
1 1124 . 2 2 2 B 6 6 LEU C C 104 177.632 176.860 0.772 1
1 1125 . 2 2 2 B 6 6 LEU CA C 104 55.480 55.815 -0.335 1
1 1126 . 2 2 2 B 6 6 LEU CB C 104 42.587 43.509 -0.922 1
1 1130 . 2 2 2 B 6 6 LEU N N 104 123.373 118.124 5.249 1
1 1131 . 2 2 2 B 7 7 THR HA H 105 4.558 4.476 0.082 1
1 1137 . 2 2 2 B 7 7 THR C C 105 175.614 175.757 -0.143 1
1 1138 . 2 2 2 B 7 7 THR CA C 105 62.000 61.699 0.301 1
1 1139 . 2 2 2 B 7 7 THR CB C 105 70.090 69.794 0.296 1
1 1141 . 2 2 2 B 8 8 ALA H H 106 8.649 9.053 -0.404 1
1 1142 . 2 2 2 B 8 8 ALA HA H 106 4.458 3.966 0.492 1
1 1146 . 2 2 2 B 8 8 ALA C C 106 179.290 179.398 -0.108 1
1 1147 . 2 2 2 B 8 8 ALA CA C 106 55.552 55.254 0.298 1
1 1148 . 2 2 2 B 8 8 ALA CB C 106 18.704 18.404 0.300 1
1 1149 . 2 2 2 B 8 8 ALA N N 106 124.857 130.747 -5.890 1
1 1150 . 2 2 2 B 9 9 ASP H H 107 8.286 7.891 0.395 1
1 1151 . 2 2 2 B 9 9 ASP HA H 107 4.457 4.361 0.096 1
1 1154 . 2 2 2 B 9 9 ASP C C 107 178.845 178.046 0.799 1
1 1155 . 2 2 2 B 9 9 ASP CA C 107 57.733 56.939 0.794 1
1 1156 . 2 2 2 B 9 9 ASP CB C 107 40.881 41.058 -0.177 1
1 1157 . 2 2 2 B 9 9 ASP N N 107 115.621 118.843 -3.222 1
1 1158 . 2 2 2 B 10 10 ALA H H 108 7.887 8.080 -0.193 1
1 1159 . 2 2 2 B 10 10 ALA HA H 108 4.182 4.005 0.177 1
1 1163 . 2 2 2 B 10 10 ALA C C 108 180.906 179.660 1.246 1
1 1164 . 2 2 2 B 10 10 ALA CA C 108 55.014 54.838 0.176 1
1 1165 . 2 2 2 B 10 10 ALA CB C 108 18.631 18.162 0.469 1
1 1166 . 2 2 2 B 10 10 ALA N N 108 122.756 121.772 0.984 1
1 1167 . 2 2 2 B 11 11 GLU H H 109 8.390 7.527 0.863 1
1 1168 . 2 2 2 B 11 11 GLU HA H 109 4.256 4.107 0.149 1
1 1173 . 2 2 2 B 11 11 GLU C C 109 178.678 178.954 -0.276 1
1 1174 . 2 2 2 B 11 11 GLU CA C 109 59.105 58.434 0.671 1
1 1175 . 2 2 2 B 11 11 GLU CB C 109 29.559 29.606 -0.047 1
1 1177 . 2 2 2 B 11 11 GLU N N 109 121.999 118.138 3.861 1
1 1178 . 2 2 2 B 12 12 LEU H H 110 8.395 8.165 0.230 1
1 1179 . 2 2 2 B 12 12 LEU HA H 110 3.808 3.961 -0.153 1
1 1189 . 2 2 2 B 12 12 LEU C C 110 178.288 178.788 -0.500 1
1 1190 . 2 2 2 B 12 12 LEU CA C 110 58.407 58.029 0.378 1
1 1191 . 2 2 2 B 12 12 LEU CB C 110 41.329 41.158 0.171 1
1 1195 . 2 2 2 B 12 12 LEU N N 110 119.939 120.034 -0.095 1
1 1196 . 2 2 2 B 13 13 GLN H H 111 7.761 8.544 -0.783 1
1 1197 . 2 2 2 B 13 13 GLN HA H 111 4.008 3.957 0.051 1
1 1202 . 2 2 2 B 13 13 GLN C C 111 177.954 178.441 -0.487 1
1 1203 . 2 2 2 B 13 13 GLN CA C 111 58.674 59.397 -0.723 1
1 1204 . 2 2 2 B 13 13 GLN CB C 111 28.513 28.197 0.316 1
1 1206 . 2 2 2 B 13 13 GLN N N 111 117.305 118.957 -1.652 1
1 1207 . 2 2 2 B 14 14 ARG H H 112 7.752 7.491 0.261 1
1 1208 . 2 2 2 B 14 14 ARG HA H 112 4.053 4.155 -0.102 1
1 1216 . 2 2 2 B 14 14 ARG C C 112 179.625 178.699 0.926 1
1 1217 . 2 2 2 B 14 14 ARG CA C 112 59.770 58.525 1.245 1
1 1218 . 2 2 2 B 14 14 ARG CB C 112 29.884 29.899 -0.015 1
1 1221 . 2 2 2 B 14 14 ARG N N 112 121.241 119.860 1.381 1
1 1223 . 2 2 2 B 15 15 LEU H H 113 8.478 8.261 0.217 1
1 1224 . 2 2 2 B 15 15 LEU HA H 113 3.974 4.052 -0.078 1
1 1234 . 2 2 2 B 15 15 LEU C C 113 180.627 179.220 1.407 1
1 1235 . 2 2 2 B 15 15 LEU CA C 113 58.251 57.723 0.528 1
1 1236 . 2 2 2 B 15 15 LEU CB C 113 41.751 41.335 0.416 1
1 1240 . 2 2 2 B 15 15 LEU N N 113 120.898 119.906 0.992 1
1 1241 . 2 2 2 B 16 16 LYS H H 114 8.437 8.280 0.157 1
1 1242 . 2 2 2 B 16 16 LYS HA H 114 3.368 3.991 -0.623 1
1 1251 . 2 2 2 B 16 16 LYS C C 114 178.288 178.992 -0.704 1
1 1252 . 2 2 2 B 16 16 LYS CA C 114 60.242 59.629 0.613 1
1 1253 . 2 2 2 B 16 16 LYS CB C 114 30.249 32.031 -1.782 1
1 1257 . 2 2 2 B 16 16 LYS N N 114 123.214 121.579 1.635 1
1 1258 . 2 2 2 B 17 17 ASN H H 115 8.137 8.836 -0.699 1
1 1259 . 2 2 2 B 17 17 ASN HA H 115 4.270 4.547 -0.277 1
1 1264 . 2 2 2 B 17 17 ASN C C 115 178.288 177.431 0.857 1
1 1265 . 2 2 2 B 17 17 ASN CA C 115 56.318 56.241 0.077 1
1 1266 . 2 2 2 B 17 17 ASN CB C 115 37.573 37.475 0.098 1
1 1267 . 2 2 2 B 17 17 ASN N N 115 117.923 115.253 2.670 1
1 1269 . 2 2 2 B 18 18 GLU H H 116 8.110 8.349 -0.239 1
1 1270 . 2 2 2 B 18 18 GLU HA H 116 4.146 4.040 0.106 1
1 1275 . 2 2 2 B 18 18 GLU C C 116 178.956 178.958 -0.002 1
1 1276 . 2 2 2 B 18 18 GLU CA C 116 59.659 59.648 0.011 1
1 1277 . 2 2 2 B 18 18 GLU CB C 116 29.950 29.197 0.753 1
1 1279 . 2 2 2 B 18 18 GLU N N 116 120.249 120.213 0.036 1
1 1280 . 2 2 2 B 19 19 ARG H H 117 7.925 8.344 -0.419 1
1 1281 . 2 2 2 B 19 19 ARG HA H 117 4.057 4.072 -0.015 1
1 1289 . 2 2 2 B 19 19 ARG C C 117 180.070 179.099 0.971 1
1 1290 . 2 2 2 B 19 19 ARG CA C 117 59.564 59.517 0.047 1
1 1291 . 2 2 2 B 19 19 ARG CB C 117 29.879 29.819 0.060 1
1 1294 . 2 2 2 B 19 19 ARG N N 117 119.801 118.655 1.146 1
1 1296 . 2 2 2 B 20 20 HIS H H 118 8.316 8.058 0.258 1
1 1297 . 2 2 2 B 20 20 HIS HA H 118 4.574 4.304 0.270 1
1 1304 . 2 2 2 B 20 20 HIS C C 118 176.784 177.759 -0.975 1
1 1305 . 2 2 2 B 20 20 HIS CA C 118 58.397 59.174 -0.777 1
1 1306 . 2 2 2 B 20 20 HIS CB C 118 29.343 29.749 -0.406 1
1 1309 . 2 2 2 B 20 20 HIS N N 118 117.802 118.730 -0.928 1
1 1310 . 2 2 2 B 21 21 GLU H H 119 8.400 8.357 0.043 1
1 1311 . 2 2 2 B 21 21 GLU HA H 119 4.268 3.900 0.368 1
1 1316 . 2 2 2 B 21 21 GLU C C 119 178.566 179.365 -0.799 1
1 1317 . 2 2 2 B 21 21 GLU CA C 119 59.105 59.811 -0.706 1
1 1318 . 2 2 2 B 21 21 GLU CB C 119 29.559 29.372 0.187 1
1 1320 . 2 2 2 B 21 21 GLU N N 119 121.996 119.908 2.088 1
1 1321 . 2 2 2 B 22 22 GLU H H 120 8.285 8.714 -0.429 1
1 1322 . 2 2 2 B 22 22 GLU HA H 120 4.204 4.053 0.151 1
1 1327 . 2 2 2 B 22 22 GLU C C 120 178.288 179.108 -0.820 1
1 1328 . 2 2 2 B 22 22 GLU CA C 120 58.841 59.225 -0.384 1
1 1329 . 2 2 2 B 22 22 GLU CB C 120 29.322 29.329 -0.007 1
1 1331 . 2 2 2 B 22 22 GLU N N 120 119.798 120.525 -0.727 1
1 1332 . 2 2 2 B 23 23 ALA H H 121 8.037 8.524 -0.487 1
1 1333 . 2 2 2 B 23 23 ALA HA H 121 4.270 4.017 0.253 1
1 1337 . 2 2 2 B 23 23 ALA C C 121 179.569 179.854 -0.285 1
1 1338 . 2 2 2 B 23 23 ALA CA C 121 54.158 54.803 -0.645 1
1 1339 . 2 2 2 B 23 23 ALA CB C 121 18.923 18.575 0.348 1
1 1340 . 2 2 2 B 23 23 ALA N N 121 122.418 122.469 -0.051 1
1 1341 . 2 2 2 B 24 24 GLU H H 122 8.039 7.581 0.458 1
1 1342 . 2 2 2 B 24 24 GLU HA H 122 4.291 4.002 0.289 1
1 1347 . 2 2 2 B 24 24 GLU C C 122 177.954 179.761 -1.807 1
1 1348 . 2 2 2 B 24 24 GLU CA C 122 58.023 59.488 -1.465 1
1 1349 . 2 2 2 B 24 24 GLU CB C 122 29.566 30.216 -0.650 1
1 1351 . 2 2 2 B 24 24 GLU N N 122 119.517 118.260 1.257 1
1 1352 . 2 2 2 B 25 25 LEU H H 123 7.962 8.996 -1.034 1
1 1353 . 2 2 2 B 25 25 LEU HA H 123 4.226 4.000 0.226 1
1 1363 . 2 2 2 B 25 25 LEU C C 123 179.123 179.402 -0.279 1
1 1364 . 2 2 2 B 25 25 LEU CA C 123 57.213 58.120 -0.907 1
1 1365 . 2 2 2 B 25 25 LEU CB C 123 41.809 41.557 0.252 1
1 1369 . 2 2 2 B 25 25 LEU N N 123 120.617 120.627 -0.010 1
1 1370 . 2 2 2 B 26 26 GLU H H 124 8.093 8.481 -0.388 1
1 1371 . 2 2 2 B 26 26 GLU HA H 124 4.140 3.977 0.163 1
1 1376 . 2 2 2 B 26 26 GLU C C 124 177.954 178.692 -0.738 1
1 1377 . 2 2 2 B 26 26 GLU CA C 124 58.095 59.210 -1.115 1
1 1378 . 2 2 2 B 26 26 GLU CB C 124 29.910 29.251 0.659 1
1 1380 . 2 2 2 B 26 26 GLU N N 124 119.473 120.053 -0.580 1
1 1381 . 2 2 2 B 27 27 ARG H H 125 7.954 7.719 0.235 1
1 1382 . 2 2 2 B 27 27 ARG HA H 125 4.210 4.079 0.131 1
1 1390 . 2 2 2 B 27 27 ARG C C 125 177.619 178.594 -0.975 1
1 1391 . 2 2 2 B 27 27 ARG CA C 125 57.677 58.993 -1.316 1
1 1392 . 2 2 2 B 27 27 ARG CB C 125 30.374 29.762 0.612 1
1 1395 . 2 2 2 B 27 27 ARG N N 125 120.670 119.886 0.784 1
1 1397 . 2 2 2 B 28 28 LEU H H 126 8.038 8.612 -0.574 1
1 1398 . 2 2 2 B 28 28 LEU HA H 126 4.270 4.110 0.160 1
1 1408 . 2 2 2 B 28 28 LEU C C 126 178.065 178.246 -0.181 1
1 1409 . 2 2 2 B 28 28 LEU CA C 126 56.096 57.725 -1.629 1
1 1410 . 2 2 2 B 28 28 LEU CB C 126 42.252 42.094 0.158 1
1 1414 . 2 2 2 B 28 28 LEU N N 126 120.818 120.982 -0.164 1
1 1415 . 2 2 2 B 29 29 LYS H H 127 7.944 8.025 -0.081 1
1 1416 . 2 2 2 B 29 29 LYS HA H 127 4.270 4.045 0.225 1
1 1425 . 2 2 2 B 29 29 LYS C C 127 176.951 176.470 0.481 1
1 1426 . 2 2 2 B 29 29 LYS CA C 127 57.168 59.591 -2.423 1
1 1427 . 2 2 2 B 29 29 LYS CB C 127 32.755 32.226 0.529 1
1 1431 . 2 2 2 B 29 29 LYS N N 127 119.960 119.752 0.208 1
1 1432 . 2 2 2 B 30 30 SER H H 128 8.030 7.866 0.164 1
1 1433 . 2 2 2 B 30 30 SER HA H 128 4.466 4.124 0.342 1
1 1436 . 2 2 2 B 30 30 SER C C 128 176.101 173.682 2.419 1
1 1437 . 2 2 2 B 30 30 SER CA C 128 58.590 60.864 -2.274 1
1 1438 . 2 2 2 B 30 30 SER CB C 128 63.939 61.709 2.230 1
1 1439 . 2 2 2 B 30 30 SER N N 128 115.496 113.623 1.873 1
1 1440 . 2 2 2 B 31 31 GLU H H 129 8.157 8.273 -0.116 1
1 1441 . 2 2 2 B 31 31 GLU HA H 129 4.291 4.436 -0.145 1
1 1446 . 2 2 2 B 31 31 GLU C C 129 175.112 176.411 -1.299 1
1 1447 . 2 2 2 B 31 31 GLU CA C 129 56.654 56.395 0.259 1
1 1448 . 2 2 2 B 31 31 GLU CB C 129 30.389 30.011 0.378 1
1 1450 . 2 2 2 B 31 31 GLU N N 129 122.569 118.776 3.793 1
1 1 . 3 1 1 A 2 2 VAL H H 2 7.944 7.431 0.513 1
1 2 . 3 1 1 A 2 2 VAL HA H 2 4.035 4.219 -0.184 1
1 10 . 3 1 1 A 2 2 VAL C C 2 174.807 175.236 -0.429 1
1 11 . 3 1 1 A 2 2 VAL CA C 2 61.947 60.880 1.067 1
1 12 . 3 1 1 A 2 2 VAL CB C 2 33.175 32.390 0.785 1
1 15 . 3 1 1 A 2 2 VAL N N 2 123.960 111.378 12.582 1
1 16 . 3 1 1 A 3 3 GLU H H 3 8.465 8.932 -0.467 1
1 17 . 3 1 1 A 3 3 GLU HA H 3 4.168 5.010 -0.842 1
1 22 . 3 1 1 A 3 3 GLU C C 3 175.888 175.710 0.178 1
1 23 . 3 1 1 A 3 3 GLU CA C 3 56.487 54.975 1.512 1
1 24 . 3 1 1 A 3 3 GLU CB C 3 30.349 32.211 -1.862 1
1 26 . 3 1 1 A 3 3 GLU N N 3 125.549 127.201 -1.652 1
1 27 . 3 1 1 A 4 4 PHE H H 4 8.330 8.738 -0.408 1
1 28 . 3 1 1 A 4 4 PHE HA H 4 4.651 4.802 -0.151 1
1 36 . 3 1 1 A 4 4 PHE C C 4 175.550 174.942 0.608 1
1 37 . 3 1 1 A 4 4 PHE CA C 4 57.827 57.754 0.073 1
1 38 . 3 1 1 A 4 4 PHE CB C 4 39.623 39.242 0.381 1
1 44 . 3 1 1 A 4 4 PHE N N 4 121.869 123.788 -1.919 1
1 45 . 3 1 1 A 5 5 SER H H 5 8.177 8.699 -0.522 1
1 46 . 3 1 1 A 5 5 SER HA H 5 4.395 4.619 -0.224 1
1 49 . 3 1 1 A 5 5 SER C C 5 173.996 174.859 -0.863 1
1 50 . 3 1 1 A 5 5 SER CA C 5 58.045 59.321 -1.276 1
1 51 . 3 1 1 A 5 5 SER CB C 5 64.050 63.992 0.058 1
1 52 . 3 1 1 A 5 5 SER N N 5 117.865 121.317 -3.452 1
1 53 . 3 1 1 A 6 6 GLU H H 6 8.425 7.864 0.561 1
1 54 . 3 1 1 A 6 6 GLU HA H 6 4.290 4.595 -0.305 1
1 59 . 3 1 1 A 6 6 GLU C C 6 176.699 177.081 -0.382 1
1 60 . 3 1 1 A 6 6 GLU CA C 6 56.479 55.111 1.368 1
1 61 . 3 1 1 A 6 6 GLU CB C 6 30.715 30.308 0.407 1
1 63 . 3 1 1 A 6 6 GLU N N 6 122.791 119.945 2.846 1
1 64 . 3 1 1 A 7 7 GLU H H 7 8.421 8.015 0.406 1
1 65 . 3 1 1 A 7 7 GLU HA H 7 4.742 3.907 0.835 1
1 70 . 3 1 1 A 7 7 GLU C C 7 175.145 176.547 -1.402 1
1 71 . 3 1 1 A 7 7 GLU CA C 7 55.617 58.574 -2.957 1
1 72 . 3 1 1 A 7 7 GLU CB C 7 29.095 30.025 -0.930 1
1 74 . 3 1 1 A 7 7 GLU N N 7 122.775 121.158 1.617 1
1 75 . 3 1 1 A 8 8 CYS H H 8 7.917 7.427 0.490 1
1 76 . 3 1 1 A 8 8 CYS HA H 8 4.969 4.613 0.356 1
1 79 . 3 1 1 A 8 8 CYS C C 8 171.610 171.859 -0.249 1
1 80 . 3 1 1 A 8 8 CYS CA C 8 53.880 55.041 -1.161 1
1 81 . 3 1 1 A 8 8 CYS CB C 8 43.144 44.000 -0.856 1
1 82 . 3 1 1 A 8 8 CYS N N 8 115.067 113.473 1.594 1
1 83 . 3 1 1 A 9 9 MET H H 9 9.379 8.610 0.769 1
1 84 . 3 1 1 A 9 9 MET HA H 9 5.049 5.053 -0.004 1
1 89 . 3 1 1 A 9 9 MET C C 9 174.038 175.455 -1.417 1
1 90 . 3 1 1 A 9 9 MET CA C 9 53.312 53.861 -0.549 1
1 91 . 3 1 1 A 9 9 MET CB C 9 36.165 34.654 1.511 1
1 93 . 3 1 1 A 9 9 MET N N 9 117.763 119.381 -1.618 1
1 94 . 3 1 1 A 10 10 HIS H H 10 9.610 8.803 0.807 1
1 95 . 3 1 1 A 10 10 HIS HA H 10 4.877 5.013 -0.136 1
1 102 . 3 1 1 A 10 10 HIS C C 10 176.698 175.344 1.354 1
1 103 . 3 1 1 A 10 10 HIS CA C 10 55.016 55.634 -0.618 1
1 104 . 3 1 1 A 10 10 HIS CB C 10 31.116 30.088 1.028 1
1 107 . 3 1 1 A 10 10 HIS N N 10 124.293 121.189 3.104 1
1 108 . 3 1 1 A 11 11 GLY H H 11 9.249 8.507 0.742 1
1 109 . 3 1 1 A 11 11 GLY HA2 H 11 4.104 3.838 0.266 1
1 110 . 3 1 1 A 11 11 GLY HA3 H 11 3.843 3.891 -0.048 1
1 111 . 3 1 1 A 11 11 GLY C C 11 174.559 175.060 -0.501 1
1 112 . 3 1 1 A 11 11 GLY CA C 11 47.652 47.340 0.312 1
1 113 . 3 1 1 A 11 11 GLY N N 11 115.224 116.573 -1.349 1
1 114 . 3 1 1 A 12 12 SER H H 12 8.999 8.834 0.165 1
1 115 . 3 1 1 A 12 12 SER HA H 12 4.653 4.422 0.231 1
1 118 . 3 1 1 A 12 12 SER C C 12 176.178 175.494 0.684 1
1 119 . 3 1 1 A 12 12 SER CA C 12 57.731 59.467 -1.736 1
1 120 . 3 1 1 A 12 12 SER CB C 12 63.439 64.577 -1.138 1
1 121 . 3 1 1 A 12 12 SER N N 12 121.965 120.781 1.184 1
1 122 . 3 1 1 A 13 13 GLY H H 13 9.022 7.999 1.023 1
1 123 . 3 1 1 A 13 13 GLY HA2 H 13 4.052 3.970 0.082 1
1 124 . 3 1 1 A 13 13 GLY HA3 H 13 3.957 4.059 -0.102 1
1 125 . 3 1 1 A 13 13 GLY C C 13 176.178 175.866 0.312 1
1 126 . 3 1 1 A 13 13 GLY CA C 13 47.972 45.355 2.617 1
1 127 . 3 1 1 A 13 13 GLY N N 13 109.294 109.715 -0.421 1
1 128 . 3 1 1 A 14 14 GLU H H 14 9.552 8.145 1.407 1
1 129 . 3 1 1 A 14 14 GLU HA H 14 4.347 4.864 -0.517 1
1 134 . 3 1 1 A 14 14 GLU C C 14 177.045 177.157 -0.112 1
1 135 . 3 1 1 A 14 14 GLU CA C 14 60.282 58.912 1.370 1
1 136 . 3 1 1 A 14 14 GLU CB C 14 29.145 29.593 -0.448 1
1 138 . 3 1 1 A 14 14 GLU N N 14 123.736 121.028 2.708 1
1 139 . 3 1 1 A 15 15 ASN H H 15 8.425 7.764 0.661 1
1 140 . 3 1 1 A 15 15 ASN HA H 15 5.030 4.746 0.284 1
1 144 . 3 1 1 A 15 15 ASN C C 15 174.848 174.352 0.496 1
1 145 . 3 1 1 A 15 15 ASN CA C 15 51.725 51.969 -0.244 1
1 146 . 3 1 1 A 15 15 ASN CB C 15 38.404 38.358 0.046 1
1 147 . 3 1 1 A 15 15 ASN N N 15 112.918 116.479 -3.561 1
1 150 . 3 1 1 A 16 16 TYR H H 16 7.622 7.502 0.120 1
1 151 . 3 1 1 A 16 16 TYR HA H 16 4.445 4.501 -0.056 1
1 159 . 3 1 1 A 16 16 TYR C C 16 175.773 174.841 0.932 1
1 160 . 3 1 1 A 16 16 TYR CA C 16 60.125 59.383 0.742 1
1 161 . 3 1 1 A 16 16 TYR CB C 16 38.590 39.229 -0.639 1
1 166 . 3 1 1 A 16 16 TYR N N 16 121.437 121.615 -0.178 1
1 167 . 3 1 1 A 17 17 ASP H H 17 8.722 8.584 0.138 1
1 168 . 3 1 1 A 17 17 ASP HA H 17 4.599 4.775 -0.176 1
1 171 . 3 1 1 A 17 17 ASP C C 17 175.748 174.213 1.535 1
1 172 . 3 1 1 A 17 17 ASP CA C 17 52.327 52.484 -0.157 1
1 173 . 3 1 1 A 17 17 ASP CB C 17 42.265 40.768 1.497 1
1 174 . 3 1 1 A 17 17 ASP N N 17 130.345 128.594 1.751 1
1 175 . 3 1 1 A 18 18 GLY H H 18 4.504 7.921 -3.417 1
1 176 . 3 1 1 A 18 18 GLY HA2 H 18 4.092 3.751 0.341 1
1 177 . 3 1 1 A 18 18 GLY HA3 H 18 3.786 3.914 -0.128 1
1 178 . 3 1 1 A 18 18 GLY C C 18 174.732 174.435 0.297 1
1 179 . 3 1 1 A 18 18 GLY CA C 18 44.739 43.517 1.222 1
1 180 . 3 1 1 A 18 18 GLY N N 18 104.445 112.935 -8.490 1
1 181 . 3 1 1 A 19 19 LYS H H 19 9.272 9.143 0.129 1
1 182 . 3 1 1 A 19 19 LYS HA H 19 3.248 3.351 -0.103 1
1 191 . 3 1 1 A 19 19 LYS C C 19 176.409 175.738 0.671 1
1 192 . 3 1 1 A 19 19 LYS CA C 19 55.454 55.538 -0.084 1
1 193 . 3 1 1 A 19 19 LYS CB C 19 32.499 32.409 0.090 1
1 197 . 3 1 1 A 19 19 LYS N N 19 117.569 118.400 -0.831 1
1 198 . 3 1 1 A 20 20 ILE H H 20 7.559 7.245 0.314 1
1 199 . 3 1 1 A 20 20 ILE HA H 20 3.991 4.107 -0.116 1
1 209 . 3 1 1 A 20 20 ILE C C 20 176.756 175.842 0.914 1
1 210 . 3 1 1 A 20 20 ILE CA C 20 64.261 62.025 2.236 1
1 211 . 3 1 1 A 20 20 ILE CB C 20 36.212 38.466 -2.254 1
1 215 . 3 1 1 A 20 20 ILE N N 20 122.778 122.965 -0.187 1
1 216 . 3 1 1 A 21 21 SER H H 21 8.817 8.896 -0.079 1
1 217 . 3 1 1 A 21 21 SER HA H 21 5.128 5.157 -0.029 1
1 220 . 3 1 1 A 21 21 SER C C 21 172.708 173.965 -1.257 1
1 221 . 3 1 1 A 21 21 SER CA C 21 57.513 57.359 0.154 1
1 222 . 3 1 1 A 21 21 SER CB C 21 65.126 64.418 0.708 1
1 223 . 3 1 1 A 21 21 SER N N 21 122.859 121.913 0.946 1
1 224 . 3 1 1 A 22 22 LYS H H 22 7.150 7.715 -0.565 1
1 225 . 3 1 1 A 22 22 LYS HA H 22 5.530 5.495 0.035 1
1 234 . 3 1 1 A 22 22 LYS C C 22 176.120 176.711 -0.591 1
1 235 . 3 1 1 A 22 22 LYS CA C 22 53.471 54.873 -1.402 1
1 236 . 3 1 1 A 22 22 LYS CB C 22 37.049 35.794 1.255 1
1 240 . 3 1 1 A 22 22 LYS N N 22 119.681 120.929 -1.248 1
1 241 . 3 1 1 A 23 23 THR H H 23 9.134 8.731 0.403 1
1 242 . 3 1 1 A 23 23 THR HA H 23 4.630 4.740 -0.110 1
1 248 . 3 1 1 A 23 23 THR C C 23 177.971 176.068 1.903 1
1 249 . 3 1 1 A 23 23 THR CA C 23 61.032 60.789 0.243 1
1 250 . 3 1 1 A 23 23 THR CB C 23 70.818 71.637 -0.819 1
1 252 . 3 1 1 A 23 23 THR N N 23 111.072 114.889 -3.817 1
1 253 . 3 1 1 A 24 24 MET H H 24 9.383 9.142 0.241 1
1 254 . 3 1 1 A 24 24 MET HA H 24 4.168 4.236 -0.068 1
1 259 . 3 1 1 A 24 24 MET C C 24 176.122 176.702 -0.580 1
1 260 . 3 1 1 A 24 24 MET CA C 24 58.704 57.667 1.037 1
1 261 . 3 1 1 A 24 24 MET CB C 24 32.546 32.502 0.044 1
1 263 . 3 1 1 A 24 24 MET N N 24 118.120 119.852 -1.732 1
1 264 . 3 1 1 A 25 25 SER H H 25 7.763 7.891 -0.128 1
1 265 . 3 1 1 A 25 25 SER HA H 25 4.575 4.457 0.118 1
1 269 . 3 1 1 A 25 25 SER C C 25 174.848 175.481 -0.633 1
1 270 . 3 1 1 A 25 25 SER CA C 25 58.895 59.263 -0.368 1
1 271 . 3 1 1 A 25 25 SER CB C 25 62.844 64.400 -1.556 1
1 272 . 3 1 1 A 25 25 SER N N 25 113.626 110.615 3.011 1
1 273 . 3 1 1 A 26 26 GLY H H 26 8.136 8.061 0.075 1
1 274 . 3 1 1 A 26 26 GLY HA2 H 26 4.305 3.980 0.325 1
1 275 . 3 1 1 A 26 26 GLY HA3 H 26 3.503 3.986 -0.483 1
1 276 . 3 1 1 A 26 26 GLY C C 26 174.212 174.590 -0.378 1
1 277 . 3 1 1 A 26 26 GLY CA C 26 45.125 46.147 -1.022 1
1 278 . 3 1 1 A 26 26 GLY N N 26 110.819 111.437 -0.618 1
1 279 . 3 1 1 A 27 27 LEU H H 27 7.183 8.355 -1.172 1
1 280 . 3 1 1 A 27 27 LEU HA H 27 4.319 4.499 -0.180 1
1 290 . 3 1 1 A 27 27 LEU C C 27 176.178 176.350 -0.172 1
1 291 . 3 1 1 A 27 27 LEU CA C 27 54.211 54.435 -0.224 1
1 292 . 3 1 1 A 27 27 LEU CB C 27 42.260 42.568 -0.308 1
1 296 . 3 1 1 A 27 27 LEU N N 27 120.765 122.219 -1.454 1
1 297 . 3 1 1 A 28 28 GLU H H 28 8.699 8.575 0.124 1
1 298 . 3 1 1 A 28 28 GLU HA H 28 4.506 4.371 0.135 1
1 303 . 3 1 1 A 28 28 GLU C C 28 177.161 176.470 0.691 1
1 304 . 3 1 1 A 28 28 GLU CA C 28 56.451 56.590 -0.139 1
1 305 . 3 1 1 A 28 28 GLU CB C 28 30.018 30.018 0.000 1
1 307 . 3 1 1 A 28 28 GLU N N 28 122.582 120.621 1.961 1
1 308 . 3 1 1 A 29 29 CYS H H 29 8.624 8.740 -0.116 1
1 309 . 3 1 1 A 29 29 CYS HA H 29 4.812 5.023 -0.211 1
1 312 . 3 1 1 A 29 29 CYS C C 29 177.045 173.134 3.911 1
1 313 . 3 1 1 A 29 29 CYS CA C 29 55.189 55.761 -0.572 1
1 314 . 3 1 1 A 29 29 CYS CB C 29 37.938 43.222 -5.284 1
1 315 . 3 1 1 A 29 29 CYS N N 29 125.564 125.405 0.159 1
1 316 . 3 1 1 A 30 30 GLN H H 30 9.664 9.061 0.603 1
1 317 . 3 1 1 A 30 30 GLN HA H 30 3.841 4.456 -0.615 1
1 324 . 3 1 1 A 30 30 GLN C C 30 175.310 175.855 -0.545 1
1 325 . 3 1 1 A 30 30 GLN CA C 30 55.501 55.215 0.286 1
1 326 . 3 1 1 A 30 30 GLN CB C 30 29.943 29.969 -0.026 1
1 328 . 3 1 1 A 30 30 GLN N N 30 127.687 125.245 2.442 1
1 330 . 3 1 1 A 31 31 ALA H H 31 8.728 8.744 -0.016 1
1 331 . 3 1 1 A 31 31 ALA HA H 31 4.052 4.393 -0.341 1
1 335 . 3 1 1 A 31 31 ALA C C 31 178.722 178.574 0.148 1
1 336 . 3 1 1 A 31 31 ALA CA C 31 52.327 52.803 -0.476 1
1 337 . 3 1 1 A 31 31 ALA CB C 31 18.034 19.281 -1.247 1
1 338 . 3 1 1 A 31 31 ALA N N 31 128.680 128.589 0.091 1
1 339 . 3 1 1 A 32 32 TRP H H 32 7.703 8.583 -0.880 1
1 340 . 3 1 1 A 32 32 TRP HA H 32 4.244 4.476 -0.232 1
1 349 . 3 1 1 A 32 32 TRP C C 32 177.566 178.536 -0.970 1
1 350 . 3 1 1 A 32 32 TRP CA C 32 59.531 59.904 -0.373 1
1 351 . 3 1 1 A 32 32 TRP CB C 32 29.953 29.257 0.696 1
1 357 . 3 1 1 A 32 32 TRP N N 32 123.505 124.505 -1.000 1
1 359 . 3 1 1 A 33 33 ASP H H 33 8.797 7.970 0.827 1
1 360 . 3 1 1 A 33 33 ASP HA H 33 4.634 4.759 -0.125 1
1 363 . 3 1 1 A 33 33 ASP C C 33 175.831 176.119 -0.288 1
1 364 . 3 1 1 A 33 33 ASP CA C 33 54.398 56.252 -1.854 1
1 365 . 3 1 1 A 33 33 ASP CB C 33 40.707 41.580 -0.873 1
1 366 . 3 1 1 A 33 33 ASP N N 33 113.424 120.416 -6.992 1
1 367 . 3 1 1 A 34 34 SER H H 34 8.039 8.002 0.037 1
1 368 . 3 1 1 A 34 34 SER HA H 34 4.737 4.526 0.211 1
1 372 . 3 1 1 A 34 34 SER C C 34 174.096 174.949 -0.853 1
1 373 . 3 1 1 A 34 34 SER CA C 34 56.454 57.489 -1.035 1
1 374 . 3 1 1 A 34 34 SER CB C 34 65.137 64.218 0.919 1
1 375 . 3 1 1 A 34 34 SER N N 34 114.429 116.214 -1.785 1
1 376 . 3 1 1 A 35 35 GLN H H 35 8.387 9.106 -0.719 1
1 377 . 3 1 1 A 35 35 GLN HA H 35 4.426 4.670 -0.244 1
1 384 . 3 1 1 A 35 35 GLN C C 35 173.518 175.155 -1.637 1
1 385 . 3 1 1 A 35 35 GLN CA C 35 54.020 55.853 -1.833 1
1 386 . 3 1 1 A 35 35 GLN CB C 35 28.804 29.277 -0.473 1
1 388 . 3 1 1 A 35 35 GLN N N 35 123.700 127.829 -4.129 1
1 390 . 3 1 1 A 36 36 SER H H 36 7.746 7.724 0.022 1
1 391 . 3 1 1 A 36 36 SER HA H 36 4.466 4.937 -0.471 1
1 395 . 3 1 1 A 36 36 SER C C 36 172.824 173.732 -0.908 1
1 396 . 3 1 1 A 36 36 SER CA C 36 54.749 55.338 -0.589 1
1 397 . 3 1 1 A 36 36 SER CB C 36 65.162 65.209 -0.047 1
1 398 . 3 1 1 A 36 36 SER N N 36 112.974 114.072 -1.098 1
1 399 . 3 1 1 A 37 37 PRO HA H 37 4.382 4.447 -0.065 1
1 406 . 3 1 1 A 37 37 PRO C C 37 176.351 176.134 0.217 1
1 407 . 3 1 1 A 37 37 PRO CA C 37 64.110 64.259 -0.149 1
1 408 . 3 1 1 A 37 37 PRO CB C 37 33.670 31.997 1.673 1
1 411 . 3 1 1 A 38 38 HIS H H 38 8.764 7.430 1.334 1
1 412 . 3 1 1 A 38 38 HIS HA H 38 4.897 4.881 0.016 1
1 417 . 3 1 1 A 38 38 HIS C C 38 178.144 174.888 3.256 1
1 418 . 3 1 1 A 38 38 HIS CA C 38 55.580 55.324 0.256 1
1 419 . 3 1 1 A 38 38 HIS CB C 38 30.421 31.374 -0.953 1
1 422 . 3 1 1 A 38 38 HIS N N 38 122.516 117.345 5.171 1
1 423 . 3 1 1 A 39 39 ALA H H 39 8.673 8.509 0.164 1
1 424 . 3 1 1 A 39 39 ALA HA H 39 4.493 4.595 -0.102 1
1 428 . 3 1 1 A 39 39 ALA C C 39 178.375 177.507 0.868 1
1 429 . 3 1 1 A 39 39 ALA CA C 39 51.440 52.428 -0.988 1
1 430 . 3 1 1 A 39 39 ALA CB C 39 18.980 19.321 -0.341 1
1 431 . 3 1 1 A 39 39 ALA N N 39 128.546 126.913 1.633 1
1 432 . 3 1 1 A 40 40 HIS H H 40 9.291 9.280 0.011 1
1 433 . 3 1 1 A 40 40 HIS HA H 40 4.734 5.450 -0.716 1
1 439 . 3 1 1 A 40 40 HIS C C 40 175.484 175.125 0.359 1
1 440 . 3 1 1 A 40 40 HIS CA C 40 56.141 53.607 2.534 1
1 441 . 3 1 1 A 40 40 HIS CB C 40 35.545 32.429 3.116 1
1 444 . 3 1 1 A 40 40 HIS N N 40 120.682 116.959 3.723 1
1 445 . 3 1 1 A 41 41 GLY H H 41 9.080 8.868 0.212 1
1 446 . 3 1 1 A 41 41 GLY HA2 H 41 4.602 3.723 0.879 1
1 447 . 3 1 1 A 41 41 GLY HA3 H 41 3.671 3.753 -0.082 1
1 448 . 3 1 1 A 41 41 GLY C C 41 176.409 173.708 2.701 1
1 449 . 3 1 1 A 41 41 GLY CA C 41 44.724 45.254 -0.530 1
1 450 . 3 1 1 A 41 41 GLY N N 41 106.159 108.201 -2.042 1
1 451 . 3 1 1 A 42 42 TYR H H 42 11.980 7.870 4.110 1
1 452 . 3 1 1 A 42 42 TYR HA H 42 4.616 4.897 -0.281 1
1 459 . 3 1 1 A 42 42 TYR C C 42 174.385 175.168 -0.783 1
1 460 . 3 1 1 A 42 42 TYR CA C 42 57.579 56.874 0.705 1
1 461 . 3 1 1 A 42 42 TYR CB C 42 36.198 36.687 -0.489 1
1 466 . 3 1 1 A 42 42 TYR N N 42 133.554 119.329 14.225 1
1 467 . 3 1 1 A 43 43 ILE H H 43 7.120 8.319 -1.199 1
1 468 . 3 1 1 A 43 43 ILE HA H 43 4.630 4.414 0.216 1
1 478 . 3 1 1 A 43 43 ILE C C 43 177.219 176.227 0.992 1
1 479 . 3 1 1 A 43 43 ILE CA C 43 58.201 59.286 -1.085 1
1 480 . 3 1 1 A 43 43 ILE CB C 43 38.761 37.984 0.777 1
1 484 . 3 1 1 A 43 43 ILE N N 43 118.881 125.051 -6.170 1
1 485 . 3 1 1 A 44 44 PRO HA H 44 4.193 4.594 -0.401 1
1 492 . 3 1 1 A 44 44 PRO C C 44 178.780 177.748 1.032 1
1 493 . 3 1 1 A 44 44 PRO CA C 44 67.061 64.391 2.670 1
1 494 . 3 1 1 A 44 44 PRO CB C 44 32.267 31.892 0.375 1
1 497 . 3 1 1 A 45 45 SER H H 45 7.984 8.367 -0.383 1
1 498 . 3 1 1 A 45 45 SER HA H 45 4.087 4.292 -0.205 1
1 502 . 3 1 1 A 45 45 SER C C 45 176.004 176.015 -0.011 1
1 503 . 3 1 1 A 45 45 SER CA C 45 60.161 61.074 -0.913 1
1 504 . 3 1 1 A 45 45 SER CB C 45 62.260 63.382 -1.122 1
1 505 . 3 1 1 A 45 45 SER N N 45 107.865 113.297 -5.432 1
1 506 . 3 1 1 A 46 46 LYS H H 46 7.769 7.533 0.236 1
1 507 . 3 1 1 A 46 46 LYS HA H 46 3.965 4.334 -0.369 1
1 516 . 3 1 1 A 46 46 LYS C C 46 175.831 176.190 -0.359 1
1 517 . 3 1 1 A 46 46 LYS CA C 46 57.349 56.849 0.500 1
1 518 . 3 1 1 A 46 46 LYS CB C 46 33.283 33.020 0.263 1
1 522 . 3 1 1 A 46 46 LYS N N 46 121.944 116.130 5.814 1
1 523 . 3 1 1 A 47 47 PHE H H 47 7.018 7.721 -0.703 1
1 524 . 3 1 1 A 47 47 PHE HA H 47 5.244 5.082 0.162 1
1 532 . 3 1 1 A 47 47 PHE C C 47 174.790 174.534 0.256 1
1 533 . 3 1 1 A 47 47 PHE CA C 47 54.142 54.889 -0.747 1
1 534 . 3 1 1 A 47 47 PHE CB C 47 39.434 38.993 0.441 1
1 539 . 3 1 1 A 47 47 PHE N N 47 115.480 119.394 -3.914 1
1 540 . 3 1 1 A 48 48 PRO HA H 48 4.472 4.495 -0.023 1
1 547 . 3 1 1 A 48 48 PRO C C 48 177.681 177.551 0.130 1
1 548 . 3 1 1 A 48 48 PRO CA C 48 65.513 64.619 0.894 1
1 549 . 3 1 1 A 48 48 PRO CB C 48 31.712 31.807 -0.095 1
1 552 . 3 1 1 A 49 49 ASN H H 49 8.559 8.436 0.123 1
1 553 . 3 1 1 A 49 49 ASN HA H 49 4.818 4.497 0.321 1
1 558 . 3 1 1 A 49 49 ASN C C 49 175.715 176.520 -0.805 1
1 559 . 3 1 1 A 49 49 ASN CA C 49 53.372 55.830 -2.458 1
1 560 . 3 1 1 A 49 49 ASN CB C 49 37.351 38.901 -1.550 1
1 561 . 3 1 1 A 49 49 ASN N N 49 114.836 116.816 -1.980 1
1 563 . 3 1 1 A 50 50 LYS H H 50 7.627 7.588 0.039 1
1 564 . 3 1 1 A 50 50 LYS HA H 50 4.480 4.328 0.152 1
1 573 . 3 1 1 A 50 50 LYS C C 50 175.079 175.610 -0.531 1
1 574 . 3 1 1 A 50 50 LYS CA C 50 53.336 55.718 -2.382 1
1 575 . 3 1 1 A 50 50 LYS CB C 50 31.284 31.971 -0.687 1
1 579 . 3 1 1 A 50 50 LYS N N 50 116.224 116.473 -0.249 1
1 580 . 3 1 1 A 51 51 ASN H H 51 7.945 7.845 0.100 1
1 581 . 3 1 1 A 51 51 ASN HA H 51 4.304 4.286 0.018 1
1 586 . 3 1 1 A 51 51 ASN C C 51 175.195 174.005 1.190 1
1 587 . 3 1 1 A 51 51 ASN CA C 51 54.089 53.974 0.115 1
1 588 . 3 1 1 A 51 51 ASN CB C 51 36.504 36.956 -0.452 1
1 589 . 3 1 1 A 51 51 ASN N N 51 115.331 116.712 -1.381 1
1 591 . 3 1 1 A 52 52 LEU H H 52 8.803 7.878 0.925 1
1 592 . 3 1 1 A 52 52 LEU HA H 52 3.412 3.710 -0.298 1
1 602 . 3 1 1 A 52 52 LEU C C 52 174.674 175.917 -1.243 1
1 603 . 3 1 1 A 52 52 LEU CA C 52 53.983 54.248 -0.265 1
1 604 . 3 1 1 A 52 52 LEU CB C 52 42.471 40.018 2.453 1
1 608 . 3 1 1 A 52 52 LEU N N 52 121.765 119.705 2.060 1
1 609 . 3 1 1 A 53 53 LYS H H 53 7.099 8.136 -1.037 1
1 610 . 3 1 1 A 53 53 LYS HA H 53 4.324 4.650 -0.326 1
1 619 . 3 1 1 A 53 53 LYS C C 53 173.460 176.751 -3.291 1
1 620 . 3 1 1 A 53 53 LYS CA C 53 54.843 54.684 0.159 1
1 621 . 3 1 1 A 53 53 LYS CB C 53 36.395 34.523 1.872 1
1 625 . 3 1 1 A 53 53 LYS N N 53 124.403 124.469 -0.066 1
1 626 . 3 1 1 A 54 54 LYS H H 54 8.805 8.883 -0.078 1
1 627 . 3 1 1 A 54 54 LYS HA H 54 3.692 3.854 -0.162 1
1 636 . 3 1 1 A 54 54 LYS C C 54 173.344 176.256 -2.912 1
1 637 . 3 1 1 A 54 54 LYS CA C 54 56.366 58.085 -1.719 1
1 638 . 3 1 1 A 54 54 LYS CB C 54 29.830 30.738 -0.908 1
1 642 . 3 1 1 A 54 54 LYS N N 54 118.125 117.593 0.532 1
1 643 . 3 1 1 A 55 55 ASN H H 55 7.567 8.375 -0.808 1
1 644 . 3 1 1 A 55 55 ASN HA H 55 4.643 4.752 -0.109 1
1 649 . 3 1 1 A 55 55 ASN C C 55 172.188 175.141 -2.953 1
1 650 . 3 1 1 A 55 55 ASN CA C 55 51.091 51.893 -0.802 1
1 651 . 3 1 1 A 55 55 ASN CB C 55 37.234 38.850 -1.616 1
1 652 . 3 1 1 A 55 55 ASN N N 55 123.893 121.850 2.043 1
1 654 . 3 1 1 A 56 56 TYR H H 56 7.584 8.002 -0.418 1
1 655 . 3 1 1 A 56 56 TYR HA H 56 4.892 5.272 -0.380 1
1 662 . 3 1 1 A 56 56 TYR C C 56 177.276 176.126 1.150 1
1 663 . 3 1 1 A 56 56 TYR CA C 56 54.447 58.418 -3.971 1
1 664 . 3 1 1 A 56 56 TYR CB C 56 38.633 39.385 -0.752 1
1 669 . 3 1 1 A 56 56 TYR N N 56 115.237 120.032 -4.795 1
1 670 . 3 1 1 A 57 57 CYS H H 57 9.149 8.770 0.379 1
1 671 . 3 1 1 A 57 57 CYS HA H 57 4.398 4.997 -0.599 1
1 674 . 3 1 1 A 57 57 CYS C C 57 175.600 174.573 1.027 1
1 675 . 3 1 1 A 57 57 CYS CA C 57 59.824 56.475 3.349 1
1 676 . 3 1 1 A 57 57 CYS CB C 57 48.356 42.456 5.900 1
1 677 . 3 1 1 A 57 57 CYS N N 57 119.273 121.833 -2.560 1
1 678 . 3 1 1 A 58 58 ARG H H 58 9.138 8.731 0.407 1
1 679 . 3 1 1 A 58 58 ARG HA H 58 4.918 5.153 -0.235 1
1 687 . 3 1 1 A 58 58 ARG C C 58 173.576 174.118 -0.542 1
1 688 . 3 1 1 A 58 58 ARG CA C 58 53.187 54.262 -1.075 1
1 689 . 3 1 1 A 58 58 ARG CB C 58 29.412 34.657 -5.245 1
1 692 . 3 1 1 A 58 58 ARG N N 58 122.881 124.930 -2.049 1
1 694 . 3 1 1 A 59 59 ASN H H 59 8.868 8.574 0.294 1
1 695 . 3 1 1 A 59 59 ASN HA H 59 5.513 4.867 0.646 1
1 700 . 3 1 1 A 59 59 ASN C C 59 172.824 174.363 -1.539 1
1 701 . 3 1 1 A 59 59 ASN CA C 59 53.176 49.626 3.550 1
1 702 . 3 1 1 A 59 59 ASN CB C 59 37.237 39.807 -2.570 1
1 703 . 3 1 1 A 59 59 ASN N N 59 113.603 119.130 -5.527 1
1 705 . 3 1 1 A 60 60 PRO HA H 60 4.712 4.333 0.379 1
1 712 . 3 1 1 A 60 60 PRO C C 60 175.715 177.650 -1.935 1
1 713 . 3 1 1 A 60 60 PRO CA C 60 63.643 64.112 -0.469 1
1 714 . 3 1 1 A 60 60 PRO CB C 60 32.507 31.815 0.692 1
1 717 . 3 1 1 A 61 61 ASP H H 61 8.883 7.895 0.988 1
1 718 . 3 1 1 A 61 61 ASP HA H 61 4.495 4.575 -0.080 1
1 721 . 3 1 1 A 61 61 ASP C C 61 174.848 175.825 -0.977 1
1 722 . 3 1 1 A 61 61 ASP CA C 61 51.953 53.410 -1.457 1
1 723 . 3 1 1 A 61 61 ASP CB C 61 42.092 40.340 1.752 1
1 724 . 3 1 1 A 61 61 ASP N N 61 118.660 116.938 1.722 1
1 725 . 3 1 1 A 62 62 ARG H H 62 8.395 8.069 0.326 1
1 726 . 3 1 1 A 62 62 ARG HA H 62 3.789 3.950 -0.161 1
1 734 . 3 1 1 A 62 62 ARG C C 62 176.236 174.681 1.555 1
1 735 . 3 1 1 A 62 62 ARG CA C 62 57.318 57.264 0.054 1
1 736 . 3 1 1 A 62 62 ARG CB C 62 26.990 27.193 -0.203 1
1 739 . 3 1 1 A 62 62 ARG N N 62 116.013 114.657 1.356 1
1 741 . 3 1 1 A 63 63 ASP H H 63 9.735 7.929 1.806 1
1 742 . 3 1 1 A 63 63 ASP HA H 63 4.769 4.693 0.076 1
1 745 . 3 1 1 A 63 63 ASP C C 63 177.334 176.558 0.776 1
1 746 . 3 1 1 A 63 63 ASP CA C 63 51.973 53.407 -1.434 1
1 747 . 3 1 1 A 63 63 ASP CB C 63 42.698 42.312 0.386 1
1 748 . 3 1 1 A 63 63 ASP N N 63 121.799 119.458 2.341 1
1 749 . 3 1 1 A 64 64 LEU H H 64 10.919 8.647 2.272 1
1 750 . 3 1 1 A 64 64 LEU HA H 64 3.995 4.290 -0.295 1
1 760 . 3 1 1 A 64 64 LEU C C 64 176.467 177.517 -1.050 1
1 761 . 3 1 1 A 64 64 LEU CA C 64 57.772 56.345 1.427 1
1 762 . 3 1 1 A 64 64 LEU CB C 64 43.630 43.245 0.385 1
1 766 . 3 1 1 A 64 64 LEU N N 64 121.789 122.001 -0.212 1
1 767 . 3 1 1 A 65 65 ARG H H 65 7.633 8.121 -0.488 1
1 768 . 3 1 1 A 65 65 ARG HA H 65 5.006 4.826 0.180 1
1 776 . 3 1 1 A 65 65 ARG C C 65 172.130 174.085 -1.955 1
1 777 . 3 1 1 A 65 65 ARG CA C 65 53.368 52.896 0.472 1
1 778 . 3 1 1 A 65 65 ARG CB C 65 28.429 32.270 -3.841 1
1 781 . 3 1 1 A 65 65 ARG N N 65 108.790 118.716 -9.926 1
1 783 . 3 1 1 A 66 66 PRO HA H 66 4.281 4.574 -0.293 1
1 790 . 3 1 1 A 66 66 PRO C C 66 172.940 176.016 -3.076 1
1 791 . 3 1 1 A 66 66 PRO CA C 66 63.677 63.039 0.638 1
1 792 . 3 1 1 A 66 66 PRO CB C 66 32.592 32.838 -0.246 1
1 795 . 3 1 1 A 67 67 TRP H H 67 8.716 8.495 0.221 1
1 796 . 3 1 1 A 67 67 TRP HA H 67 5.406 5.345 0.061 1
1 805 . 3 1 1 A 67 67 TRP C C 67 172.919 173.862 -0.943 1
1 806 . 3 1 1 A 67 67 TRP CA C 67 56.035 55.098 0.937 1
1 807 . 3 1 1 A 67 67 TRP CB C 67 34.026 31.985 2.041 1
1 813 . 3 1 1 A 67 67 TRP N N 67 121.250 117.785 3.465 1
1 815 . 3 1 1 A 68 68 CYS H H 68 8.384 9.309 -0.925 1
1 816 . 3 1 1 A 68 68 CYS HA H 68 4.265 4.895 -0.630 1
1 819 . 3 1 1 A 68 68 CYS C C 68 175.079 172.978 2.101 1
1 820 . 3 1 1 A 68 68 CYS CA C 68 55.876 55.543 0.333 1
1 821 . 3 1 1 A 68 68 CYS CB C 68 42.232 46.047 -3.815 1
1 822 . 3 1 1 A 68 68 CYS N N 68 109.624 117.620 -7.996 1
1 823 . 3 1 1 A 69 69 PHE H H 69 8.031 8.422 -0.391 1
1 824 . 3 1 1 A 69 69 PHE HA H 69 5.420 4.983 0.437 1
1 832 . 3 1 1 A 69 69 PHE C C 69 176.814 175.662 1.152 1
1 833 . 3 1 1 A 69 69 PHE CA C 69 59.299 57.833 1.466 1
1 834 . 3 1 1 A 69 69 PHE CB C 69 38.411 39.746 -1.335 1
1 840 . 3 1 1 A 69 69 PHE N N 69 120.433 121.279 -0.846 1
1 841 . 3 1 1 A 70 70 THR H H 70 8.002 9.224 -1.222 1
1 842 . 3 1 1 A 70 70 THR HA H 70 5.408 4.504 0.904 1
1 848 . 3 1 1 A 70 70 THR C C 70 173.518 174.450 -0.932 1
1 849 . 3 1 1 A 70 70 THR CA C 70 61.208 62.508 -1.300 1
1 850 . 3 1 1 A 70 70 THR CB C 70 70.441 69.478 0.963 1
1 852 . 3 1 1 A 70 70 THR N N 70 112.351 118.809 -6.458 1
1 853 . 3 1 1 A 71 71 THR H H 71 8.126 8.656 -0.530 1
1 854 . 3 1 1 A 71 71 THR HA H 71 4.037 4.534 -0.497 1
1 860 . 3 1 1 A 71 71 THR C C 71 174.903 173.981 0.922 1
1 861 . 3 1 1 A 71 71 THR CA C 71 62.413 62.623 -0.210 1
1 862 . 3 1 1 A 71 71 THR CB C 71 69.167 69.106 0.061 1
1 864 . 3 1 1 A 71 71 THR N N 71 104.863 119.479 -14.616 1
1 865 . 3 1 1 A 72 72 ASP H H 72 9.024 7.843 1.181 1
1 866 . 3 1 1 A 72 72 ASP HA H 72 4.936 4.924 0.012 1
1 869 . 3 1 1 A 72 72 ASP C C 72 176.929 176.010 0.919 1
1 870 . 3 1 1 A 72 72 ASP CA C 72 51.333 51.872 -0.539 1
1 871 . 3 1 1 A 72 72 ASP CB C 72 43.416 42.223 1.193 1
1 872 . 3 1 1 A 72 72 ASP N N 72 126.242 124.622 1.620 1
1 873 . 3 1 1 A 73 73 PRO HA H 73 3.962 4.321 -0.359 1
1 880 . 3 1 1 A 73 73 PRO C C 73 177.045 178.221 -1.176 1
1 881 . 3 1 1 A 73 73 PRO CA C 73 64.632 65.909 -1.277 1
1 882 . 3 1 1 A 73 73 PRO CB C 73 32.460 31.915 0.545 1
1 885 . 3 1 1 A 74 74 ASN H H 74 8.943 8.573 0.370 1
1 886 . 3 1 1 A 74 74 ASN HA H 74 4.854 4.715 0.139 1
1 891 . 3 1 1 A 74 74 ASN C C 74 174.443 175.141 -0.698 1
1 892 . 3 1 1 A 74 74 ASN CA C 74 53.380 54.158 -0.778 1
1 893 . 3 1 1 A 74 74 ASN CB C 74 39.333 38.017 1.316 1
1 894 . 3 1 1 A 74 74 ASN N N 74 114.144 112.928 1.216 1
1 896 . 3 1 1 A 75 75 LYS H H 75 7.795 7.518 0.277 1
1 897 . 3 1 1 A 75 75 LYS HA H 75 4.571 4.535 0.036 1
1 906 . 3 1 1 A 75 75 LYS C C 75 173.402 175.942 -2.540 1
1 907 . 3 1 1 A 75 75 LYS CA C 75 54.154 54.820 -0.666 1
1 908 . 3 1 1 A 75 75 LYS CB C 75 32.186 34.036 -1.850 1
1 912 . 3 1 1 A 75 75 LYS N N 75 122.835 119.271 3.564 1
1 913 . 3 1 1 A 76 76 ARG H H 76 9.132 8.880 0.252 1
1 914 . 3 1 1 A 76 76 ARG HA H 76 4.555 3.590 0.965 1
1 922 . 3 1 1 A 76 76 ARG C C 76 175.137 176.187 -1.050 1
1 923 . 3 1 1 A 76 76 ARG CA C 76 60.532 57.433 3.099 1
1 924 . 3 1 1 A 76 76 ARG CB C 76 29.307 31.328 -2.021 1
1 927 . 3 1 1 A 76 76 ARG N N 76 129.676 126.851 2.825 1
1 929 . 3 1 1 A 77 77 TRP H H 77 7.559 7.658 -0.099 1
1 930 . 3 1 1 A 77 77 TRP HA H 77 5.357 5.438 -0.081 1
1 939 . 3 1 1 A 77 77 TRP C C 77 172.940 174.381 -1.441 1
1 940 . 3 1 1 A 77 77 TRP CA C 77 55.044 54.996 0.048 1
1 941 . 3 1 1 A 77 77 TRP CB C 77 31.951 32.882 -0.931 1
1 947 . 3 1 1 A 77 77 TRP N N 77 109.174 114.951 -5.777 1
1 949 . 3 1 1 A 78 78 GLU H H 78 8.638 9.215 -0.577 1
1 950 . 3 1 1 A 78 78 GLU HA H 78 3.671 4.636 -0.965 1
1 955 . 3 1 1 A 78 78 GLU C C 78 174.501 175.728 -1.227 1
1 956 . 3 1 1 A 78 78 GLU CA C 78 55.659 54.991 0.668 1
1 957 . 3 1 1 A 78 78 GLU CB C 78 34.557 33.907 0.650 1
1 959 . 3 1 1 A 78 78 GLU N N 78 118.907 119.309 -0.402 1
1 960 . 3 1 1 A 79 79 TYR H H 79 7.636 8.847 -1.211 1
1 961 . 3 1 1 A 79 79 TYR HA H 79 4.995 4.994 0.001 1
1 968 . 3 1 1 A 79 79 TYR C C 79 175.889 175.775 0.114 1
1 969 . 3 1 1 A 79 79 TYR CA C 79 60.120 58.901 1.219 1
1 970 . 3 1 1 A 79 79 TYR CB C 79 39.789 38.875 0.914 1
1 975 . 3 1 1 A 79 79 TYR N N 79 119.277 121.018 -1.741 1
1 976 . 3 1 1 A 80 80 CYS H H 80 9.398 8.716 0.682 1
1 977 . 3 1 1 A 80 80 CYS HA H 80 4.720 5.439 -0.719 1
1 980 . 3 1 1 A 80 80 CYS C C 80 172.419 171.886 0.533 1
1 981 . 3 1 1 A 80 80 CYS CA C 80 54.618 54.817 -0.199 1
1 982 . 3 1 1 A 80 80 CYS CB C 80 46.736 45.669 1.067 1
1 983 . 3 1 1 A 80 80 CYS N N 80 118.623 121.384 -2.761 1
1 984 . 3 1 1 A 81 81 ASP H H 81 9.729 8.877 0.852 1
1 985 . 3 1 1 A 81 81 ASP HA H 81 4.781 4.852 -0.071 1
1 988 . 3 1 1 A 81 81 ASP C C 81 173.576 174.595 -1.019 1
1 989 . 3 1 1 A 81 81 ASP CA C 81 52.855 53.043 -0.188 1
1 990 . 3 1 1 A 81 81 ASP CB C 81 40.733 40.623 0.110 1
1 991 . 3 1 1 A 81 81 ASP N N 81 124.777 126.164 -1.387 1
1 992 . 3 1 1 A 82 82 ILE H H 82 7.820 8.222 -0.402 1
1 993 . 3 1 1 A 82 82 ILE HA H 82 4.320 4.521 -0.201 1
1 1003 . 3 1 1 A 82 82 ILE C C 82 173.923 174.205 -0.282 1
1 1004 . 3 1 1 A 82 82 ILE CA C 82 56.118 57.733 -1.615 1
1 1005 . 3 1 1 A 82 82 ILE CB C 82 38.166 37.789 0.377 1
1 1009 . 3 1 1 A 82 82 ILE N N 82 125.281 126.224 -0.943 1
1 1010 . 3 1 1 A 83 83 PRO HA H 83 4.337 4.393 -0.056 1
1 1017 . 3 1 1 A 83 83 PRO C C 83 175.167 175.181 -0.014 1
1 1018 . 3 1 1 A 83 83 PRO CA C 83 62.844 63.342 -0.498 1
1 1019 . 3 1 1 A 83 83 PRO CB C 83 32.450 32.153 0.297 1
1 1022 . 3 1 1 A 84 84 ARG H H 84 8.656 8.645 0.011 1
1 1023 . 3 1 1 A 84 84 ARG HA H 84 4.658 4.696 -0.038 1
1 1031 . 3 1 1 A 84 84 ARG C C 84 175.137 174.557 0.580 1
1 1032 . 3 1 1 A 84 84 ARG CA C 84 55.617 54.882 0.735 1
1 1033 . 3 1 1 A 84 84 ARG CB C 84 30.482 33.333 -2.851 1
1 1036 . 3 1 1 A 84 84 ARG N N 84 122.316 123.209 -0.893 1
1 1038 . 3 1 1 A 85 85 CYS H H 85 8.783 8.713 0.070 1
1 1039 . 3 1 1 A 85 85 CYS HA H 85 4.479 5.052 -0.573 1
1 1042 . 3 1 1 A 85 85 CYS C C 85 174.906 173.489 1.417 1
1 1043 . 3 1 1 A 85 85 CYS CA C 85 54.177 55.010 -0.833 1
1 1044 . 3 1 1 A 85 85 CYS CB C 85 39.574 43.096 -3.522 1
1 1045 . 3 1 1 A 85 85 CYS N N 85 124.002 125.210 -1.208 1
1 1046 . 3 1 1 A 86 86 ALA H H 86 8.746 8.443 0.303 1
1 1047 . 3 1 1 A 86 86 ALA HA H 86 4.255 4.288 -0.033 1
1 1051 . 3 1 1 A 86 86 ALA C C 86 176.236 176.109 0.127 1
1 1052 . 3 1 1 A 86 86 ALA CA C 86 53.067 51.800 1.267 1
1 1053 . 3 1 1 A 86 86 ALA CB C 86 19.034 17.392 1.642 1
1 1054 . 3 1 1 A 86 86 ALA N N 86 126.444 127.274 -0.830 1
1 1064 . 3 2 2 B 2 2 SER HA H 100 4.570 4.644 -0.074 1
1 1067 . 3 2 2 B 2 2 SER C C 100 174.779 172.989 1.790 1
1 1068 . 3 2 2 B 2 2 SER CA C 100 58.624 57.603 1.021 1
1 1069 . 3 2 2 B 2 2 SER CB C 100 63.939 61.374 2.565 1
1 1070 . 3 2 2 B 3 3 VAL H H 101 8.341 7.668 0.673 1
1 1071 . 3 2 2 B 3 3 VAL HA H 101 4.151 4.730 -0.579 1
1 1079 . 3 2 2 B 3 3 VAL C C 101 176.450 175.028 1.422 1
1 1080 . 3 2 2 B 3 3 VAL CA C 101 62.793 60.343 2.450 1
1 1081 . 3 2 2 B 3 3 VAL CB C 101 32.495 33.605 -1.110 1
1 1084 . 3 2 2 B 3 3 VAL N N 101 121.954 118.620 3.334 1
1 1085 . 3 2 2 B 4 4 GLU H H 102 8.521 9.106 -0.585 1
1 1086 . 3 2 2 B 4 4 GLU HA H 102 4.291 4.295 -0.004 1
1 1091 . 3 2 2 B 4 4 GLU C C 102 176.450 176.211 0.239 1
1 1092 . 3 2 2 B 4 4 GLU CA C 102 56.955 58.121 -1.166 1
1 1093 . 3 2 2 B 4 4 GLU CB C 102 30.233 29.866 0.367 1
1 1095 . 3 2 2 B 4 4 GLU N N 102 124.722 126.882 -2.160 1
1 1096 . 3 2 2 B 5 5 LYS H H 103 8.323 7.635 0.688 1
1 1097 . 3 2 2 B 5 5 LYS HA H 103 4.313 4.523 -0.210 1
1 1106 . 3 2 2 B 5 5 LYS C C 103 176.784 175.789 0.995 1
1 1107 . 3 2 2 B 5 5 LYS CA C 103 56.688 55.988 0.700 1
1 1108 . 3 2 2 B 5 5 LYS CB C 103 30.228 33.544 -3.316 1
1 1112 . 3 2 2 B 5 5 LYS N N 103 122.689 119.168 3.521 1
1 1113 . 3 2 2 B 6 6 LEU H H 104 8.369 8.471 -0.102 1
1 1114 . 3 2 2 B 6 6 LEU HA H 104 4.500 3.939 0.561 1
1 1124 . 3 2 2 B 6 6 LEU C C 104 177.632 175.430 2.202 1
1 1125 . 3 2 2 B 6 6 LEU CA C 104 55.480 57.450 -1.970 1
1 1126 . 3 2 2 B 6 6 LEU CB C 104 42.587 40.631 1.956 1
1 1130 . 3 2 2 B 6 6 LEU N N 104 123.373 121.843 1.530 1
1 1131 . 3 2 2 B 7 7 THR HA H 105 4.558 5.141 -0.583 1
1 1137 . 3 2 2 B 7 7 THR C C 105 175.614 174.570 1.044 1
1 1138 . 3 2 2 B 7 7 THR CA C 105 62.000 61.117 0.883 1
1 1139 . 3 2 2 B 7 7 THR CB C 105 70.090 72.979 -2.889 1
1 1141 . 3 2 2 B 8 8 ALA H H 106 8.649 8.929 -0.280 1
1 1142 . 3 2 2 B 8 8 ALA HA H 106 4.458 4.004 0.454 1
1 1146 . 3 2 2 B 8 8 ALA C C 106 179.290 179.488 -0.198 1
1 1147 . 3 2 2 B 8 8 ALA CA C 106 55.552 55.411 0.141 1
1 1148 . 3 2 2 B 8 8 ALA CB C 106 18.704 18.188 0.516 1
1 1149 . 3 2 2 B 8 8 ALA N N 106 124.857 125.417 -0.560 1
1 1150 . 3 2 2 B 9 9 ASP H H 107 8.286 8.257 0.029 1
1 1151 . 3 2 2 B 9 9 ASP HA H 107 4.457 4.348 0.109 1
1 1154 . 3 2 2 B 9 9 ASP C C 107 178.845 178.166 0.679 1
1 1155 . 3 2 2 B 9 9 ASP CA C 107 57.733 56.771 0.962 1
1 1156 . 3 2 2 B 9 9 ASP CB C 107 40.881 41.039 -0.158 1
1 1157 . 3 2 2 B 9 9 ASP N N 107 115.621 118.378 -2.757 1
1 1158 . 3 2 2 B 10 10 ALA H H 108 7.887 7.773 0.114 1
1 1159 . 3 2 2 B 10 10 ALA HA H 108 4.182 4.128 0.054 1
1 1163 . 3 2 2 B 10 10 ALA C C 108 180.906 179.474 1.432 1
1 1164 . 3 2 2 B 10 10 ALA CA C 108 55.014 55.031 -0.017 1
1 1165 . 3 2 2 B 10 10 ALA CB C 108 18.631 18.376 0.255 1
1 1166 . 3 2 2 B 10 10 ALA N N 108 122.756 122.014 0.742 1
1 1167 . 3 2 2 B 11 11 GLU H H 109 8.390 8.275 0.115 1
1 1168 . 3 2 2 B 11 11 GLU HA H 109 4.256 4.090 0.166 1
1 1173 . 3 2 2 B 11 11 GLU C C 109 178.678 178.943 -0.265 1
1 1174 . 3 2 2 B 11 11 GLU CA C 109 59.105 59.122 -0.017 1
1 1175 . 3 2 2 B 11 11 GLU CB C 109 29.559 29.431 0.128 1
1 1177 . 3 2 2 B 11 11 GLU N N 109 121.999 119.318 2.681 1
1 1178 . 3 2 2 B 12 12 LEU H H 110 8.395 8.095 0.300 1
1 1179 . 3 2 2 B 12 12 LEU HA H 110 3.808 3.919 -0.111 1
1 1189 . 3 2 2 B 12 12 LEU C C 110 178.288 178.710 -0.422 1
1 1190 . 3 2 2 B 12 12 LEU CA C 110 58.407 57.814 0.593 1
1 1191 . 3 2 2 B 12 12 LEU CB C 110 41.329 40.992 0.337 1
1 1195 . 3 2 2 B 12 12 LEU N N 110 119.939 119.901 0.038 1
1 1196 . 3 2 2 B 13 13 GLN H H 111 7.761 7.921 -0.160 1
1 1197 . 3 2 2 B 13 13 GLN HA H 111 4.008 3.845 0.163 1
1 1202 . 3 2 2 B 13 13 GLN C C 111 177.954 178.174 -0.220 1
1 1203 . 3 2 2 B 13 13 GLN CA C 111 58.674 59.325 -0.651 1
1 1204 . 3 2 2 B 13 13 GLN CB C 111 28.513 28.287 0.226 1
1 1206 . 3 2 2 B 13 13 GLN N N 111 117.305 118.759 -1.454 1
1 1207 . 3 2 2 B 14 14 ARG H H 112 7.752 7.735 0.017 1
1 1208 . 3 2 2 B 14 14 ARG HA H 112 4.053 4.189 -0.136 1
1 1216 . 3 2 2 B 14 14 ARG C C 112 179.625 178.748 0.877 1
1 1217 . 3 2 2 B 14 14 ARG CA C 112 59.770 58.434 1.336 1
1 1218 . 3 2 2 B 14 14 ARG CB C 112 29.884 29.880 0.004 1
1 1221 . 3 2 2 B 14 14 ARG N N 112 121.241 120.439 0.802 1
1 1223 . 3 2 2 B 15 15 LEU H H 113 8.478 8.275 0.203 1
1 1224 . 3 2 2 B 15 15 LEU HA H 113 3.974 3.986 -0.012 1
1 1234 . 3 2 2 B 15 15 LEU C C 113 180.627 179.376 1.251 1
1 1235 . 3 2 2 B 15 15 LEU CA C 113 58.251 57.744 0.507 1
1 1236 . 3 2 2 B 15 15 LEU CB C 113 41.751 40.443 1.308 1
1 1240 . 3 2 2 B 15 15 LEU N N 113 120.898 119.600 1.298 1
1 1241 . 3 2 2 B 16 16 LYS H H 114 8.437 7.951 0.486 1
1 1242 . 3 2 2 B 16 16 LYS HA H 114 3.368 3.749 -0.381 1
1 1251 . 3 2 2 B 16 16 LYS C C 114 178.288 178.654 -0.366 1
1 1252 . 3 2 2 B 16 16 LYS CA C 114 60.242 59.527 0.715 1
1 1253 . 3 2 2 B 16 16 LYS CB C 114 30.249 31.866 -1.617 1
1 1257 . 3 2 2 B 16 16 LYS N N 114 123.214 121.382 1.832 1
1 1258 . 3 2 2 B 17 17 ASN H H 115 8.137 8.280 -0.143 1
1 1259 . 3 2 2 B 17 17 ASN HA H 115 4.270 4.379 -0.109 1
1 1264 . 3 2 2 B 17 17 ASN C C 115 178.288 177.866 0.422 1
1 1265 . 3 2 2 B 17 17 ASN CA C 115 56.318 56.454 -0.136 1
1 1266 . 3 2 2 B 17 17 ASN CB C 115 37.573 37.722 -0.149 1
1 1267 . 3 2 2 B 17 17 ASN N N 115 117.923 118.000 -0.077 1
1 1269 . 3 2 2 B 18 18 GLU H H 116 8.110 8.700 -0.590 1
1 1270 . 3 2 2 B 18 18 GLU HA H 116 4.146 4.018 0.128 1
1 1275 . 3 2 2 B 18 18 GLU C C 116 178.956 179.003 -0.047 1
1 1276 . 3 2 2 B 18 18 GLU CA C 116 59.659 59.644 0.015 1
1 1277 . 3 2 2 B 18 18 GLU CB C 116 29.950 29.199 0.751 1
1 1279 . 3 2 2 B 18 18 GLU N N 116 120.249 120.209 0.040 1
1 1280 . 3 2 2 B 19 19 ARG H H 117 7.925 8.164 -0.239 1
1 1281 . 3 2 2 B 19 19 ARG HA H 117 4.057 4.144 -0.087 1
1 1289 . 3 2 2 B 19 19 ARG C C 117 180.070 179.357 0.713 1
1 1290 . 3 2 2 B 19 19 ARG CA C 117 59.564 59.383 0.181 1
1 1291 . 3 2 2 B 19 19 ARG CB C 117 29.879 29.781 0.098 1
1 1294 . 3 2 2 B 19 19 ARG N N 117 119.801 118.940 0.861 1
1 1296 . 3 2 2 B 20 20 HIS H H 118 8.316 8.197 0.119 1
1 1297 . 3 2 2 B 20 20 HIS HA H 118 4.574 4.308 0.266 1
1 1304 . 3 2 2 B 20 20 HIS C C 118 176.784 177.865 -1.081 1
1 1305 . 3 2 2 B 20 20 HIS CA C 118 58.397 59.017 -0.620 1
1 1306 . 3 2 2 B 20 20 HIS CB C 118 29.343 30.073 -0.730 1
1 1309 . 3 2 2 B 20 20 HIS N N 118 117.802 118.574 -0.772 1
1 1310 . 3 2 2 B 21 21 GLU H H 119 8.400 8.606 -0.206 1
1 1311 . 3 2 2 B 21 21 GLU HA H 119 4.268 3.848 0.420 1
1 1316 . 3 2 2 B 21 21 GLU C C 119 178.566 179.405 -0.839 1
1 1317 . 3 2 2 B 21 21 GLU CA C 119 59.105 59.938 -0.833 1
1 1318 . 3 2 2 B 21 21 GLU CB C 119 29.559 29.524 0.035 1
1 1320 . 3 2 2 B 21 21 GLU N N 119 121.996 120.084 1.912 1
1 1321 . 3 2 2 B 22 22 GLU H H 120 8.285 8.819 -0.534 1
1 1322 . 3 2 2 B 22 22 GLU HA H 120 4.204 4.054 0.150 1
1 1327 . 3 2 2 B 22 22 GLU C C 120 178.288 179.171 -0.883 1
1 1328 . 3 2 2 B 22 22 GLU CA C 120 58.841 59.297 -0.456 1
1 1329 . 3 2 2 B 22 22 GLU CB C 120 29.322 29.394 -0.072 1
1 1331 . 3 2 2 B 22 22 GLU N N 120 119.798 120.344 -0.546 1
1 1332 . 3 2 2 B 23 23 ALA H H 121 8.037 8.349 -0.312 1
1 1333 . 3 2 2 B 23 23 ALA HA H 121 4.270 4.005 0.265 1
1 1337 . 3 2 2 B 23 23 ALA C C 121 179.569 179.805 -0.236 1
1 1338 . 3 2 2 B 23 23 ALA CA C 121 54.158 55.422 -1.264 1
1 1339 . 3 2 2 B 23 23 ALA CB C 121 18.923 18.247 0.676 1
1 1340 . 3 2 2 B 23 23 ALA N N 121 122.418 122.726 -0.308 1
1 1341 . 3 2 2 B 24 24 GLU H H 122 8.039 8.109 -0.070 1
1 1342 . 3 2 2 B 24 24 GLU HA H 122 4.291 3.968 0.323 1
1 1347 . 3 2 2 B 24 24 GLU C C 122 177.954 179.593 -1.639 1
1 1348 . 3 2 2 B 24 24 GLU CA C 122 58.023 59.520 -1.497 1
1 1349 . 3 2 2 B 24 24 GLU CB C 122 29.566 29.492 0.074 1
1 1351 . 3 2 2 B 24 24 GLU N N 122 119.517 117.731 1.786 1
1 1352 . 3 2 2 B 25 25 LEU H H 123 7.962 9.273 -1.311 1
1 1353 . 3 2 2 B 25 25 LEU HA H 123 4.226 3.972 0.254 1
1 1363 . 3 2 2 B 25 25 LEU C C 123 179.123 179.313 -0.190 1
1 1364 . 3 2 2 B 25 25 LEU CA C 123 57.213 58.042 -0.829 1
1 1365 . 3 2 2 B 25 25 LEU CB C 123 41.809 41.537 0.272 1
1 1369 . 3 2 2 B 25 25 LEU N N 123 120.617 120.739 -0.122 1
1 1370 . 3 2 2 B 26 26 GLU H H 124 8.093 8.217 -0.124 1
1 1371 . 3 2 2 B 26 26 GLU HA H 124 4.140 4.010 0.130 1
1 1376 . 3 2 2 B 26 26 GLU C C 124 177.954 178.361 -0.407 1
1 1377 . 3 2 2 B 26 26 GLU CA C 124 58.095 59.225 -1.130 1
1 1378 . 3 2 2 B 26 26 GLU CB C 124 29.910 29.203 0.707 1
1 1380 . 3 2 2 B 26 26 GLU N N 124 119.473 119.783 -0.310 1
1 1381 . 3 2 2 B 27 27 ARG H H 125 7.954 8.159 -0.205 1
1 1382 . 3 2 2 B 27 27 ARG HA H 125 4.210 4.190 0.020 1
1 1390 . 3 2 2 B 27 27 ARG C C 125 177.619 178.476 -0.857 1
1 1391 . 3 2 2 B 27 27 ARG CA C 125 57.677 58.379 -0.702 1
1 1392 . 3 2 2 B 27 27 ARG CB C 125 30.374 29.809 0.565 1
1 1395 . 3 2 2 B 27 27 ARG N N 125 120.670 120.645 0.025 1
1 1397 . 3 2 2 B 28 28 LEU H H 126 8.038 8.610 -0.572 1
1 1398 . 3 2 2 B 28 28 LEU HA H 126 4.270 5.049 -0.779 1
1 1408 . 3 2 2 B 28 28 LEU C C 126 178.065 178.518 -0.453 1
1 1409 . 3 2 2 B 28 28 LEU CA C 126 56.096 57.458 -1.362 1
1 1410 . 3 2 2 B 28 28 LEU CB C 126 42.252 41.443 0.809 1
1 1414 . 3 2 2 B 28 28 LEU N N 126 120.818 120.805 0.013 1
1 1415 . 3 2 2 B 29 29 LYS H H 127 7.944 8.251 -0.307 1
1 1416 . 3 2 2 B 29 29 LYS HA H 127 4.270 4.107 0.163 1
1 1425 . 3 2 2 B 29 29 LYS C C 127 176.951 178.356 -1.405 1
1 1426 . 3 2 2 B 29 29 LYS CA C 127 57.168 58.724 -1.556 1
1 1427 . 3 2 2 B 29 29 LYS CB C 127 32.755 32.102 0.653 1
1 1431 . 3 2 2 B 29 29 LYS N N 127 119.960 119.636 0.324 1
1 1432 . 3 2 2 B 30 30 SER H H 128 8.030 7.743 0.287 1
1 1433 . 3 2 2 B 30 30 SER HA H 128 4.466 4.488 -0.022 1
1 1436 . 3 2 2 B 30 30 SER C C 128 176.101 174.827 1.274 1
1 1437 . 3 2 2 B 30 30 SER CA C 128 58.590 60.581 -1.991 1
1 1438 . 3 2 2 B 30 30 SER CB C 128 63.939 64.191 -0.252 1
1 1439 . 3 2 2 B 30 30 SER N N 128 115.496 113.001 2.495 1
1 1440 . 3 2 2 B 31 31 GLU H H 129 8.157 8.029 0.128 1
1 1441 . 3 2 2 B 31 31 GLU HA H 129 4.291 4.725 -0.434 1
1 1446 . 3 2 2 B 31 31 GLU C C 129 175.112 174.669 0.443 1
1 1447 . 3 2 2 B 31 31 GLU CA C 129 56.654 54.988 1.666 1
1 1448 . 3 2 2 B 31 31 GLU CB C 129 30.389 32.945 -2.556 1
1 1450 . 3 2 2 B 31 31 GLU N N 129 122.569 115.602 6.967 1
1 1 . 4 1 1 A 2 2 VAL H H 2 7.944 8.224 -0.280 1
1 2 . 4 1 1 A 2 2 VAL HA H 2 4.035 3.934 0.101 1
1 10 . 4 1 1 A 2 2 VAL C C 2 174.807 176.074 -1.267 1
1 11 . 4 1 1 A 2 2 VAL CA C 2 61.947 63.117 -1.170 1
1 12 . 4 1 1 A 2 2 VAL CB C 2 33.175 30.096 3.079 1
1 15 . 4 1 1 A 2 2 VAL N N 2 123.960 118.963 4.997 1
1 16 . 4 1 1 A 3 3 GLU H H 3 8.465 8.242 0.223 1
1 17 . 4 1 1 A 3 3 GLU HA H 3 4.168 4.239 -0.071 1
1 22 . 4 1 1 A 3 3 GLU C C 3 175.888 177.607 -1.719 1
1 23 . 4 1 1 A 3 3 GLU CA C 3 56.487 59.680 -3.193 1
1 24 . 4 1 1 A 3 3 GLU CB C 3 30.349 29.782 0.567 1
1 26 . 4 1 1 A 3 3 GLU N N 3 125.549 128.652 -3.103 1
1 27 . 4 1 1 A 4 4 PHE H H 4 8.330 7.940 0.390 1
1 28 . 4 1 1 A 4 4 PHE HA H 4 4.651 4.775 -0.124 1
1 36 . 4 1 1 A 4 4 PHE C C 4 175.550 175.578 -0.028 1
1 37 . 4 1 1 A 4 4 PHE CA C 4 57.827 55.939 1.888 1
1 38 . 4 1 1 A 4 4 PHE CB C 4 39.623 38.586 1.037 1
1 44 . 4 1 1 A 4 4 PHE N N 4 121.869 120.206 1.663 1
1 45 . 4 1 1 A 5 5 SER H H 5 8.177 8.045 0.132 1
1 46 . 4 1 1 A 5 5 SER HA H 5 4.395 4.476 -0.081 1
1 49 . 4 1 1 A 5 5 SER C C 5 173.996 174.244 -0.248 1
1 50 . 4 1 1 A 5 5 SER CA C 5 58.045 58.297 -0.252 1
1 51 . 4 1 1 A 5 5 SER CB C 5 64.050 63.661 0.389 1
1 52 . 4 1 1 A 5 5 SER N N 5 117.865 121.056 -3.191 1
1 53 . 4 1 1 A 6 6 GLU H H 6 8.425 6.927 1.498 1
1 54 . 4 1 1 A 6 6 GLU HA H 6 4.290 4.209 0.081 1
1 59 . 4 1 1 A 6 6 GLU C C 6 176.699 176.315 0.384 1
1 60 . 4 1 1 A 6 6 GLU CA C 6 56.479 55.593 0.886 1
1 61 . 4 1 1 A 6 6 GLU CB C 6 30.715 30.233 0.482 1
1 63 . 4 1 1 A 6 6 GLU N N 6 122.791 121.534 1.257 1
1 64 . 4 1 1 A 7 7 GLU H H 7 8.421 8.832 -0.411 1
1 65 . 4 1 1 A 7 7 GLU HA H 7 4.742 4.014 0.728 1
1 70 . 4 1 1 A 7 7 GLU C C 7 175.145 175.895 -0.750 1
1 71 . 4 1 1 A 7 7 GLU CA C 7 55.617 57.172 -1.555 1
1 72 . 4 1 1 A 7 7 GLU CB C 7 29.095 28.247 0.848 1
1 74 . 4 1 1 A 7 7 GLU N N 7 122.775 117.431 5.344 1
1 75 . 4 1 1 A 8 8 CYS H H 8 7.917 7.944 -0.027 1
1 76 . 4 1 1 A 8 8 CYS HA H 8 4.969 5.338 -0.369 1
1 79 . 4 1 1 A 8 8 CYS C C 8 171.610 171.962 -0.352 1
1 80 . 4 1 1 A 8 8 CYS CA C 8 53.880 54.164 -0.284 1
1 81 . 4 1 1 A 8 8 CYS CB C 8 43.144 46.198 -3.054 1
1 82 . 4 1 1 A 8 8 CYS N N 8 115.067 116.542 -1.475 1
1 83 . 4 1 1 A 9 9 MET H H 9 9.379 9.448 -0.069 1
1 84 . 4 1 1 A 9 9 MET HA H 9 5.049 4.856 0.193 1
1 89 . 4 1 1 A 9 9 MET C C 9 174.038 176.837 -2.799 1
1 90 . 4 1 1 A 9 9 MET CA C 9 53.312 54.232 -0.920 1
1 91 . 4 1 1 A 9 9 MET CB C 9 36.165 33.085 3.080 1
1 93 . 4 1 1 A 9 9 MET N N 9 117.763 121.242 -3.479 1
1 94 . 4 1 1 A 10 10 HIS H H 10 9.610 9.067 0.543 1
1 95 . 4 1 1 A 10 10 HIS HA H 10 4.877 4.396 0.481 1
1 102 . 4 1 1 A 10 10 HIS C C 10 176.698 175.162 1.536 1
1 103 . 4 1 1 A 10 10 HIS CA C 10 55.016 59.441 -4.425 1
1 104 . 4 1 1 A 10 10 HIS CB C 10 31.116 30.675 0.441 1
1 107 . 4 1 1 A 10 10 HIS N N 10 124.293 124.862 -0.569 1
1 108 . 4 1 1 A 11 11 GLY H H 11 9.249 7.723 1.526 1
1 109 . 4 1 1 A 11 11 GLY HA2 H 11 4.104 3.910 0.194 1
1 110 . 4 1 1 A 11 11 GLY HA3 H 11 3.843 3.946 -0.103 1
1 111 . 4 1 1 A 11 11 GLY C C 11 174.559 174.203 0.356 1
1 112 . 4 1 1 A 11 11 GLY CA C 11 47.652 45.958 1.694 1
1 113 . 4 1 1 A 11 11 GLY N N 11 115.224 106.807 8.417 1
1 114 . 4 1 1 A 12 12 SER H H 12 8.999 8.727 0.272 1
1 115 . 4 1 1 A 12 12 SER HA H 12 4.653 4.439 0.214 1
1 118 . 4 1 1 A 12 12 SER C C 12 176.178 174.462 1.716 1
1 119 . 4 1 1 A 12 12 SER CA C 12 57.731 59.025 -1.294 1
1 120 . 4 1 1 A 12 12 SER CB C 12 63.439 63.637 -0.198 1
1 121 . 4 1 1 A 12 12 SER N N 12 121.965 120.167 1.798 1
1 122 . 4 1 1 A 13 13 GLY H H 13 9.022 8.045 0.977 1
1 123 . 4 1 1 A 13 13 GLY HA2 H 13 4.052 3.997 0.055 1
1 124 . 4 1 1 A 13 13 GLY HA3 H 13 3.957 4.049 -0.092 1
1 125 . 4 1 1 A 13 13 GLY C C 13 176.178 174.812 1.366 1
1 126 . 4 1 1 A 13 13 GLY CA C 13 47.972 45.414 2.558 1
1 127 . 4 1 1 A 13 13 GLY N N 13 109.294 108.603 0.691 1
1 128 . 4 1 1 A 14 14 GLU H H 14 9.552 8.088 1.464 1
1 129 . 4 1 1 A 14 14 GLU HA H 14 4.347 4.214 0.133 1
1 134 . 4 1 1 A 14 14 GLU C C 14 177.045 178.061 -1.016 1
1 135 . 4 1 1 A 14 14 GLU CA C 14 60.282 58.775 1.507 1
1 136 . 4 1 1 A 14 14 GLU CB C 14 29.145 29.676 -0.531 1
1 138 . 4 1 1 A 14 14 GLU N N 14 123.736 121.959 1.777 1
1 139 . 4 1 1 A 15 15 ASN H H 15 8.425 7.850 0.575 1
1 140 . 4 1 1 A 15 15 ASN HA H 15 5.030 4.807 0.223 1
1 144 . 4 1 1 A 15 15 ASN C C 15 174.848 174.790 0.058 1
1 145 . 4 1 1 A 15 15 ASN CA C 15 51.725 52.514 -0.789 1
1 146 . 4 1 1 A 15 15 ASN CB C 15 38.404 38.829 -0.425 1
1 147 . 4 1 1 A 15 15 ASN N N 15 112.918 116.901 -3.983 1
1 150 . 4 1 1 A 16 16 TYR H H 16 7.622 7.789 -0.167 1
1 151 . 4 1 1 A 16 16 TYR HA H 16 4.445 4.975 -0.530 1
1 159 . 4 1 1 A 16 16 TYR C C 16 175.773 174.484 1.289 1
1 160 . 4 1 1 A 16 16 TYR CA C 16 60.125 57.244 2.881 1
1 161 . 4 1 1 A 16 16 TYR CB C 16 38.590 39.275 -0.685 1
1 166 . 4 1 1 A 16 16 TYR N N 16 121.437 121.834 -0.397 1
1 167 . 4 1 1 A 17 17 ASP H H 17 8.722 8.467 0.255 1
1 168 . 4 1 1 A 17 17 ASP HA H 17 4.599 4.842 -0.243 1
1 171 . 4 1 1 A 17 17 ASP C C 17 175.748 174.177 1.571 1
1 172 . 4 1 1 A 17 17 ASP CA C 17 52.327 52.676 -0.349 1
1 173 . 4 1 1 A 17 17 ASP CB C 17 42.265 40.728 1.537 1
1 174 . 4 1 1 A 17 17 ASP N N 17 130.345 128.631 1.714 1
1 175 . 4 1 1 A 18 18 GLY H H 18 4.504 8.152 -3.648 1
1 176 . 4 1 1 A 18 18 GLY HA2 H 18 4.092 3.777 0.315 1
1 177 . 4 1 1 A 18 18 GLY HA3 H 18 3.786 3.903 -0.117 1
1 178 . 4 1 1 A 18 18 GLY C C 18 174.732 174.596 0.136 1
1 179 . 4 1 1 A 18 18 GLY CA C 18 44.739 43.863 0.876 1
1 180 . 4 1 1 A 18 18 GLY N N 18 104.445 112.568 -8.123 1
1 181 . 4 1 1 A 19 19 LYS H H 19 9.272 8.123 1.149 1
1 182 . 4 1 1 A 19 19 LYS HA H 19 3.248 3.238 0.010 1
1 191 . 4 1 1 A 19 19 LYS C C 19 176.409 175.815 0.594 1
1 192 . 4 1 1 A 19 19 LYS CA C 19 55.454 55.331 0.123 1
1 193 . 4 1 1 A 19 19 LYS CB C 19 32.499 32.109 0.390 1
1 197 . 4 1 1 A 19 19 LYS N N 19 117.569 117.890 -0.321 1
1 198 . 4 1 1 A 20 20 ILE H H 20 7.559 7.437 0.122 1
1 199 . 4 1 1 A 20 20 ILE HA H 20 3.991 4.179 -0.188 1
1 209 . 4 1 1 A 20 20 ILE C C 20 176.756 175.981 0.775 1
1 210 . 4 1 1 A 20 20 ILE CA C 20 64.261 62.404 1.857 1
1 211 . 4 1 1 A 20 20 ILE CB C 20 36.212 38.437 -2.225 1
1 215 . 4 1 1 A 20 20 ILE N N 20 122.778 123.478 -0.700 1
1 216 . 4 1 1 A 21 21 SER H H 21 8.817 8.962 -0.145 1
1 217 . 4 1 1 A 21 21 SER HA H 21 5.128 5.198 -0.070 1
1 220 . 4 1 1 A 21 21 SER C C 21 172.708 174.025 -1.317 1
1 221 . 4 1 1 A 21 21 SER CA C 21 57.513 57.391 0.122 1
1 222 . 4 1 1 A 21 21 SER CB C 21 65.126 64.506 0.620 1
1 223 . 4 1 1 A 21 21 SER N N 21 122.859 121.729 1.130 1
1 224 . 4 1 1 A 22 22 LYS H H 22 7.150 7.754 -0.604 1
1 225 . 4 1 1 A 22 22 LYS HA H 22 5.530 5.391 0.139 1
1 234 . 4 1 1 A 22 22 LYS C C 22 176.120 176.153 -0.033 1
1 235 . 4 1 1 A 22 22 LYS CA C 22 53.471 54.705 -1.234 1
1 236 . 4 1 1 A 22 22 LYS CB C 22 37.049 36.152 0.897 1
1 240 . 4 1 1 A 22 22 LYS N N 22 119.681 120.941 -1.260 1
1 241 . 4 1 1 A 23 23 THR H H 23 9.134 8.921 0.213 1
1 242 . 4 1 1 A 23 23 THR HA H 23 4.630 4.805 -0.175 1
1 248 . 4 1 1 A 23 23 THR C C 23 177.971 176.195 1.776 1
1 249 . 4 1 1 A 23 23 THR CA C 23 61.032 60.607 0.425 1
1 250 . 4 1 1 A 23 23 THR CB C 23 70.818 71.960 -1.142 1
1 252 . 4 1 1 A 23 23 THR N N 23 111.072 113.994 -2.922 1
1 253 . 4 1 1 A 24 24 MET H H 24 9.383 9.215 0.168 1
1 254 . 4 1 1 A 24 24 MET HA H 24 4.168 4.238 -0.070 1
1 259 . 4 1 1 A 24 24 MET C C 24 176.122 176.668 -0.546 1
1 260 . 4 1 1 A 24 24 MET CA C 24 58.704 57.543 1.161 1
1 261 . 4 1 1 A 24 24 MET CB C 24 32.546 32.567 -0.021 1
1 263 . 4 1 1 A 24 24 MET N N 24 118.120 119.923 -1.803 1
1 264 . 4 1 1 A 25 25 SER H H 25 7.763 7.852 -0.089 1
1 265 . 4 1 1 A 25 25 SER HA H 25 4.575 4.446 0.129 1
1 269 . 4 1 1 A 25 25 SER C C 25 174.848 175.545 -0.697 1
1 270 . 4 1 1 A 25 25 SER CA C 25 58.895 58.826 0.069 1
1 271 . 4 1 1 A 25 25 SER CB C 25 62.844 64.480 -1.636 1
1 272 . 4 1 1 A 25 25 SER N N 25 113.626 111.329 2.297 1
1 273 . 4 1 1 A 26 26 GLY H H 26 8.136 8.067 0.069 1
1 274 . 4 1 1 A 26 26 GLY HA2 H 26 4.305 3.981 0.324 1
1 275 . 4 1 1 A 26 26 GLY HA3 H 26 3.503 3.991 -0.488 1
1 276 . 4 1 1 A 26 26 GLY C C 26 174.212 174.671 -0.459 1
1 277 . 4 1 1 A 26 26 GLY CA C 26 45.125 46.022 -0.897 1
1 278 . 4 1 1 A 26 26 GLY N N 26 110.819 111.493 -0.674 1
1 279 . 4 1 1 A 27 27 LEU H H 27 7.183 8.351 -1.168 1
1 280 . 4 1 1 A 27 27 LEU HA H 27 4.319 4.580 -0.261 1
1 290 . 4 1 1 A 27 27 LEU C C 27 176.178 176.432 -0.254 1
1 291 . 4 1 1 A 27 27 LEU CA C 27 54.211 54.395 -0.184 1
1 292 . 4 1 1 A 27 27 LEU CB C 27 42.260 42.683 -0.423 1
1 296 . 4 1 1 A 27 27 LEU N N 27 120.765 122.297 -1.532 1
1 297 . 4 1 1 A 28 28 GLU H H 28 8.699 8.669 0.030 1
1 298 . 4 1 1 A 28 28 GLU HA H 28 4.506 4.648 -0.142 1
1 303 . 4 1 1 A 28 28 GLU C C 28 177.161 176.647 0.514 1
1 304 . 4 1 1 A 28 28 GLU CA C 28 56.451 55.595 0.856 1
1 305 . 4 1 1 A 28 28 GLU CB C 28 30.018 30.892 -0.874 1
1 307 . 4 1 1 A 28 28 GLU N N 28 122.582 120.514 2.068 1
1 308 . 4 1 1 A 29 29 CYS H H 29 8.624 9.082 -0.458 1
1 309 . 4 1 1 A 29 29 CYS HA H 29 4.812 4.958 -0.146 1
1 312 . 4 1 1 A 29 29 CYS C C 29 177.045 173.106 3.939 1
1 313 . 4 1 1 A 29 29 CYS CA C 29 55.189 56.030 -0.841 1
1 314 . 4 1 1 A 29 29 CYS CB C 29 37.938 43.335 -5.397 1
1 315 . 4 1 1 A 29 29 CYS N N 29 125.564 124.924 0.640 1
1 316 . 4 1 1 A 30 30 GLN H H 30 9.664 8.935 0.729 1
1 317 . 4 1 1 A 30 30 GLN HA H 30 3.841 4.594 -0.753 1
1 324 . 4 1 1 A 30 30 GLN C C 30 175.310 175.965 -0.655 1
1 325 . 4 1 1 A 30 30 GLN CA C 30 55.501 54.690 0.811 1
1 326 . 4 1 1 A 30 30 GLN CB C 30 29.943 30.309 -0.366 1
1 328 . 4 1 1 A 30 30 GLN N N 30 127.687 125.285 2.402 1
1 330 . 4 1 1 A 31 31 ALA H H 31 8.728 8.781 -0.053 1
1 331 . 4 1 1 A 31 31 ALA HA H 31 4.052 4.575 -0.523 1
1 335 . 4 1 1 A 31 31 ALA C C 31 178.722 178.663 0.059 1
1 336 . 4 1 1 A 31 31 ALA CA C 31 52.327 52.859 -0.532 1
1 337 . 4 1 1 A 31 31 ALA CB C 31 18.034 19.248 -1.214 1
1 338 . 4 1 1 A 31 31 ALA N N 31 128.680 128.657 0.023 1
1 339 . 4 1 1 A 32 32 TRP H H 32 7.703 9.018 -1.315 1
1 340 . 4 1 1 A 32 32 TRP HA H 32 4.244 4.573 -0.329 1
1 349 . 4 1 1 A 32 32 TRP C C 32 177.566 177.364 0.202 1
1 350 . 4 1 1 A 32 32 TRP CA C 32 59.531 59.957 -0.426 1
1 351 . 4 1 1 A 32 32 TRP CB C 32 29.953 29.209 0.744 1
1 357 . 4 1 1 A 32 32 TRP N N 32 123.505 124.509 -1.004 1
1 359 . 4 1 1 A 33 33 ASP H H 33 8.797 8.430 0.367 1
1 360 . 4 1 1 A 33 33 ASP HA H 33 4.634 4.807 -0.173 1
1 363 . 4 1 1 A 33 33 ASP C C 33 175.831 175.740 0.091 1
1 364 . 4 1 1 A 33 33 ASP CA C 33 54.398 54.026 0.372 1
1 365 . 4 1 1 A 33 33 ASP CB C 33 40.707 40.237 0.470 1
1 366 . 4 1 1 A 33 33 ASP N N 33 113.424 116.620 -3.196 1
1 367 . 4 1 1 A 34 34 SER H H 34 8.039 7.899 0.140 1
1 368 . 4 1 1 A 34 34 SER HA H 34 4.737 4.634 0.103 1
1 372 . 4 1 1 A 34 34 SER C C 34 174.096 174.636 -0.540 1
1 373 . 4 1 1 A 34 34 SER CA C 34 56.454 56.405 0.049 1
1 374 . 4 1 1 A 34 34 SER CB C 34 65.137 64.907 0.230 1
1 375 . 4 1 1 A 34 34 SER N N 34 114.429 116.160 -1.731 1
1 376 . 4 1 1 A 35 35 GLN H H 35 8.387 8.641 -0.254 1
1 377 . 4 1 1 A 35 35 GLN HA H 35 4.426 4.194 0.232 1
1 384 . 4 1 1 A 35 35 GLN C C 35 173.518 174.253 -0.735 1
1 385 . 4 1 1 A 35 35 GLN CA C 35 54.020 55.796 -1.776 1
1 386 . 4 1 1 A 35 35 GLN CB C 35 28.804 28.988 -0.184 1
1 388 . 4 1 1 A 35 35 GLN N N 35 123.700 123.591 0.109 1
1 390 . 4 1 1 A 36 36 SER H H 36 7.746 7.308 0.438 1
1 391 . 4 1 1 A 36 36 SER HA H 36 4.466 4.879 -0.413 1
1 395 . 4 1 1 A 36 36 SER C C 36 172.824 173.614 -0.790 1
1 396 . 4 1 1 A 36 36 SER CA C 36 54.749 55.159 -0.410 1
1 397 . 4 1 1 A 36 36 SER CB C 36 65.162 65.122 0.040 1
1 398 . 4 1 1 A 36 36 SER N N 36 112.974 115.323 -2.349 1
1 399 . 4 1 1 A 37 37 PRO HA H 37 4.382 4.512 -0.130 1
1 406 . 4 1 1 A 37 37 PRO C C 37 176.351 176.091 0.260 1
1 407 . 4 1 1 A 37 37 PRO CA C 37 64.110 64.172 -0.062 1
1 408 . 4 1 1 A 37 37 PRO CB C 37 33.670 32.068 1.602 1
1 411 . 4 1 1 A 38 38 HIS H H 38 8.764 7.692 1.072 1
1 412 . 4 1 1 A 38 38 HIS HA H 38 4.897 4.861 0.036 1
1 417 . 4 1 1 A 38 38 HIS C C 38 178.144 175.386 2.758 1
1 418 . 4 1 1 A 38 38 HIS CA C 38 55.580 55.413 0.167 1
1 419 . 4 1 1 A 38 38 HIS CB C 38 30.421 31.192 -0.771 1
1 422 . 4 1 1 A 38 38 HIS N N 38 122.516 117.411 5.105 1
1 423 . 4 1 1 A 39 39 ALA H H 39 8.673 8.511 0.162 1
1 424 . 4 1 1 A 39 39 ALA HA H 39 4.493 4.491 0.002 1
1 428 . 4 1 1 A 39 39 ALA C C 39 178.375 176.716 1.659 1
1 429 . 4 1 1 A 39 39 ALA CA C 39 51.440 51.662 -0.222 1
1 430 . 4 1 1 A 39 39 ALA CB C 39 18.980 20.254 -1.274 1
1 431 . 4 1 1 A 39 39 ALA N N 39 128.546 125.457 3.089 1
1 432 . 4 1 1 A 40 40 HIS H H 40 9.291 9.247 0.044 1
1 433 . 4 1 1 A 40 40 HIS HA H 40 4.734 5.277 -0.543 1
1 439 . 4 1 1 A 40 40 HIS C C 40 175.484 174.874 0.610 1
1 440 . 4 1 1 A 40 40 HIS CA C 40 56.141 53.952 2.189 1
1 441 . 4 1 1 A 40 40 HIS CB C 40 35.545 31.415 4.130 1
1 444 . 4 1 1 A 40 40 HIS N N 40 120.682 115.630 5.052 1
1 445 . 4 1 1 A 41 41 GLY H H 41 9.080 8.600 0.480 1
1 446 . 4 1 1 A 41 41 GLY HA2 H 41 4.602 4.072 0.530 1
1 447 . 4 1 1 A 41 41 GLY HA3 H 41 3.671 4.092 -0.421 1
1 448 . 4 1 1 A 41 41 GLY C C 41 176.409 174.171 2.238 1
1 449 . 4 1 1 A 41 41 GLY CA C 41 44.724 45.576 -0.852 1
1 450 . 4 1 1 A 41 41 GLY N N 41 106.159 108.190 -2.031 1
1 451 . 4 1 1 A 42 42 TYR H H 42 11.980 7.987 3.993 1
1 452 . 4 1 1 A 42 42 TYR HA H 42 4.616 5.034 -0.418 1
1 459 . 4 1 1 A 42 42 TYR C C 42 174.385 175.250 -0.865 1
1 460 . 4 1 1 A 42 42 TYR CA C 42 57.579 56.949 0.630 1
1 461 . 4 1 1 A 42 42 TYR CB C 42 36.198 36.416 -0.218 1
1 466 . 4 1 1 A 42 42 TYR N N 42 133.554 119.955 13.599 1
1 467 . 4 1 1 A 43 43 ILE H H 43 7.120 8.639 -1.519 1
1 468 . 4 1 1 A 43 43 ILE HA H 43 4.630 4.617 0.013 1
1 478 . 4 1 1 A 43 43 ILE C C 43 177.219 176.075 1.144 1
1 479 . 4 1 1 A 43 43 ILE CA C 43 58.201 58.480 -0.279 1
1 480 . 4 1 1 A 43 43 ILE CB C 43 38.761 37.948 0.813 1
1 484 . 4 1 1 A 43 43 ILE N N 43 118.881 125.584 -6.703 1
1 485 . 4 1 1 A 44 44 PRO HA H 44 4.193 4.535 -0.342 1
1 492 . 4 1 1 A 44 44 PRO C C 44 178.780 177.638 1.142 1
1 493 . 4 1 1 A 44 44 PRO CA C 44 67.061 64.234 2.827 1
1 494 . 4 1 1 A 44 44 PRO CB C 44 32.267 31.829 0.438 1
1 497 . 4 1 1 A 45 45 SER H H 45 7.984 8.300 -0.316 1
1 498 . 4 1 1 A 45 45 SER HA H 45 4.087 4.248 -0.161 1
1 502 . 4 1 1 A 45 45 SER C C 45 176.004 175.960 0.044 1
1 503 . 4 1 1 A 45 45 SER CA C 45 60.161 61.108 -0.947 1
1 504 . 4 1 1 A 45 45 SER CB C 45 62.260 63.193 -0.933 1
1 505 . 4 1 1 A 45 45 SER N N 45 107.865 113.576 -5.711 1
1 506 . 4 1 1 A 46 46 LYS H H 46 7.769 7.703 0.066 1
1 507 . 4 1 1 A 46 46 LYS HA H 46 3.965 4.171 -0.206 1
1 516 . 4 1 1 A 46 46 LYS C C 46 175.831 176.585 -0.754 1
1 517 . 4 1 1 A 46 46 LYS CA C 46 57.349 57.063 0.286 1
1 518 . 4 1 1 A 46 46 LYS CB C 46 33.283 33.133 0.150 1
1 522 . 4 1 1 A 46 46 LYS N N 46 121.944 117.618 4.326 1
1 523 . 4 1 1 A 47 47 PHE H H 47 7.018 7.590 -0.572 1
1 524 . 4 1 1 A 47 47 PHE HA H 47 5.244 5.100 0.144 1
1 532 . 4 1 1 A 47 47 PHE C C 47 174.790 174.478 0.312 1
1 533 . 4 1 1 A 47 47 PHE CA C 47 54.142 54.610 -0.468 1
1 534 . 4 1 1 A 47 47 PHE CB C 47 39.434 37.833 1.601 1
1 539 . 4 1 1 A 47 47 PHE N N 47 115.480 118.450 -2.970 1
1 540 . 4 1 1 A 48 48 PRO HA H 48 4.472 4.522 -0.050 1
1 547 . 4 1 1 A 48 48 PRO C C 48 177.681 177.900 -0.219 1
1 548 . 4 1 1 A 48 48 PRO CA C 48 65.513 64.650 0.863 1
1 549 . 4 1 1 A 48 48 PRO CB C 48 31.712 31.921 -0.209 1
1 552 . 4 1 1 A 49 49 ASN H H 49 8.559 8.953 -0.394 1
1 553 . 4 1 1 A 49 49 ASN HA H 49 4.818 4.480 0.338 1
1 558 . 4 1 1 A 49 49 ASN C C 49 175.715 176.409 -0.694 1
1 559 . 4 1 1 A 49 49 ASN CA C 49 53.372 54.958 -1.586 1
1 560 . 4 1 1 A 49 49 ASN CB C 49 37.351 37.166 0.185 1
1 561 . 4 1 1 A 49 49 ASN N N 49 114.836 115.990 -1.154 1
1 563 . 4 1 1 A 50 50 LYS H H 50 7.627 7.518 0.109 1
1 564 . 4 1 1 A 50 50 LYS HA H 50 4.480 4.326 0.154 1
1 573 . 4 1 1 A 50 50 LYS C C 50 175.079 175.182 -0.103 1
1 574 . 4 1 1 A 50 50 LYS CA C 50 53.336 55.630 -2.294 1
1 575 . 4 1 1 A 50 50 LYS CB C 50 31.284 32.193 -0.909 1
1 579 . 4 1 1 A 50 50 LYS N N 50 116.224 117.625 -1.401 1
1 580 . 4 1 1 A 51 51 ASN H H 51 7.945 8.005 -0.060 1
1 581 . 4 1 1 A 51 51 ASN HA H 51 4.304 4.260 0.044 1
1 586 . 4 1 1 A 51 51 ASN C C 51 175.195 173.971 1.224 1
1 587 . 4 1 1 A 51 51 ASN CA C 51 54.089 54.281 -0.192 1
1 588 . 4 1 1 A 51 51 ASN CB C 51 36.504 36.815 -0.311 1
1 589 . 4 1 1 A 51 51 ASN N N 51 115.331 114.933 0.398 1
1 591 . 4 1 1 A 52 52 LEU H H 52 8.803 7.735 1.068 1
1 592 . 4 1 1 A 52 52 LEU HA H 52 3.412 4.056 -0.644 1
1 602 . 4 1 1 A 52 52 LEU C C 52 174.674 175.030 -0.356 1
1 603 . 4 1 1 A 52 52 LEU CA C 52 53.983 54.134 -0.151 1
1 604 . 4 1 1 A 52 52 LEU CB C 52 42.471 40.971 1.500 1
1 608 . 4 1 1 A 52 52 LEU N N 52 121.765 120.340 1.425 1
1 609 . 4 1 1 A 53 53 LYS H H 53 7.099 8.335 -1.236 1
1 610 . 4 1 1 A 53 53 LYS HA H 53 4.324 4.828 -0.504 1
1 619 . 4 1 1 A 53 53 LYS C C 53 173.460 176.491 -3.031 1
1 620 . 4 1 1 A 53 53 LYS CA C 53 54.843 54.452 0.391 1
1 621 . 4 1 1 A 53 53 LYS CB C 53 36.395 35.646 0.749 1
1 625 . 4 1 1 A 53 53 LYS N N 53 124.403 125.379 -0.976 1
1 626 . 4 1 1 A 54 54 LYS H H 54 8.805 8.934 -0.129 1
1 627 . 4 1 1 A 54 54 LYS HA H 54 3.692 3.835 -0.143 1
1 636 . 4 1 1 A 54 54 LYS C C 54 173.344 175.926 -2.582 1
1 637 . 4 1 1 A 54 54 LYS CA C 54 56.366 57.789 -1.423 1
1 638 . 4 1 1 A 54 54 LYS CB C 54 29.830 30.357 -0.527 1
1 642 . 4 1 1 A 54 54 LYS N N 54 118.125 117.647 0.478 1
1 643 . 4 1 1 A 55 55 ASN H H 55 7.567 8.313 -0.746 1
1 644 . 4 1 1 A 55 55 ASN HA H 55 4.643 4.650 -0.007 1
1 649 . 4 1 1 A 55 55 ASN C C 55 172.188 175.236 -3.048 1
1 650 . 4 1 1 A 55 55 ASN CA C 55 51.091 51.606 -0.515 1
1 651 . 4 1 1 A 55 55 ASN CB C 55 37.234 37.557 -0.323 1
1 652 . 4 1 1 A 55 55 ASN N N 55 123.893 121.587 2.306 1
1 654 . 4 1 1 A 56 56 TYR H H 56 7.584 7.391 0.193 1
1 655 . 4 1 1 A 56 56 TYR HA H 56 4.892 5.551 -0.659 1
1 662 . 4 1 1 A 56 56 TYR C C 56 177.276 176.248 1.028 1
1 663 . 4 1 1 A 56 56 TYR CA C 56 54.447 57.866 -3.419 1
1 664 . 4 1 1 A 56 56 TYR CB C 56 38.633 39.641 -1.008 1
1 669 . 4 1 1 A 56 56 TYR N N 56 115.237 119.917 -4.680 1
1 670 . 4 1 1 A 57 57 CYS H H 57 9.149 8.608 0.541 1
1 671 . 4 1 1 A 57 57 CYS HA H 57 4.398 5.057 -0.659 1
1 674 . 4 1 1 A 57 57 CYS C C 57 175.600 174.511 1.089 1
1 675 . 4 1 1 A 57 57 CYS CA C 57 59.824 56.399 3.425 1
1 676 . 4 1 1 A 57 57 CYS CB C 57 48.356 42.463 5.893 1
1 677 . 4 1 1 A 57 57 CYS N N 57 119.273 122.192 -2.919 1
1 678 . 4 1 1 A 58 58 ARG H H 58 9.138 8.737 0.401 1
1 679 . 4 1 1 A 58 58 ARG HA H 58 4.918 5.098 -0.180 1
1 687 . 4 1 1 A 58 58 ARG C C 58 173.576 174.433 -0.857 1
1 688 . 4 1 1 A 58 58 ARG CA C 58 53.187 54.272 -1.085 1
1 689 . 4 1 1 A 58 58 ARG CB C 58 29.412 33.928 -4.516 1
1 692 . 4 1 1 A 58 58 ARG N N 58 122.881 125.332 -2.451 1
1 694 . 4 1 1 A 59 59 ASN H H 59 8.868 8.573 0.295 1
1 695 . 4 1 1 A 59 59 ASN HA H 59 5.513 5.049 0.464 1
1 700 . 4 1 1 A 59 59 ASN C C 59 172.824 174.461 -1.637 1
1 701 . 4 1 1 A 59 59 ASN CA C 59 53.176 50.098 3.078 1
1 702 . 4 1 1 A 59 59 ASN CB C 59 37.237 39.299 -2.062 1
1 703 . 4 1 1 A 59 59 ASN N N 59 113.603 119.309 -5.706 1
1 705 . 4 1 1 A 60 60 PRO HA H 60 4.712 4.182 0.530 1
1 712 . 4 1 1 A 60 60 PRO C C 60 175.715 177.498 -1.783 1
1 713 . 4 1 1 A 60 60 PRO CA C 60 63.643 63.978 -0.335 1
1 714 . 4 1 1 A 60 60 PRO CB C 60 32.507 31.282 1.225 1
1 717 . 4 1 1 A 61 61 ASP H H 61 8.883 7.649 1.234 1
1 718 . 4 1 1 A 61 61 ASP HA H 61 4.495 4.282 0.213 1
1 721 . 4 1 1 A 61 61 ASP C C 61 174.848 175.364 -0.516 1
1 722 . 4 1 1 A 61 61 ASP CA C 61 51.953 53.210 -1.257 1
1 723 . 4 1 1 A 61 61 ASP CB C 61 42.092 40.201 1.891 1
1 724 . 4 1 1 A 61 61 ASP N N 61 118.660 115.994 2.666 1
1 725 . 4 1 1 A 62 62 ARG H H 62 8.395 7.535 0.860 1
1 726 . 4 1 1 A 62 62 ARG HA H 62 3.789 4.246 -0.457 1
1 734 . 4 1 1 A 62 62 ARG C C 62 176.236 174.505 1.731 1
1 735 . 4 1 1 A 62 62 ARG CA C 62 57.318 56.951 0.367 1
1 736 . 4 1 1 A 62 62 ARG CB C 62 26.990 27.478 -0.488 1
1 739 . 4 1 1 A 62 62 ARG N N 62 116.013 114.867 1.146 1
1 741 . 4 1 1 A 63 63 ASP H H 63 9.735 7.830 1.905 1
1 742 . 4 1 1 A 63 63 ASP HA H 63 4.769 4.712 0.057 1
1 745 . 4 1 1 A 63 63 ASP C C 63 177.334 176.271 1.063 1
1 746 . 4 1 1 A 63 63 ASP CA C 63 51.973 52.658 -0.685 1
1 747 . 4 1 1 A 63 63 ASP CB C 63 42.698 42.980 -0.282 1
1 748 . 4 1 1 A 63 63 ASP N N 63 121.799 117.776 4.023 1
1 749 . 4 1 1 A 64 64 LEU H H 64 10.919 8.709 2.210 1
1 750 . 4 1 1 A 64 64 LEU HA H 64 3.995 4.442 -0.447 1
1 760 . 4 1 1 A 64 64 LEU C C 64 176.467 177.099 -0.632 1
1 761 . 4 1 1 A 64 64 LEU CA C 64 57.772 56.038 1.734 1
1 762 . 4 1 1 A 64 64 LEU CB C 64 43.630 42.909 0.721 1
1 766 . 4 1 1 A 64 64 LEU N N 64 121.789 121.844 -0.055 1
1 767 . 4 1 1 A 65 65 ARG H H 65 7.633 7.611 0.022 1
1 768 . 4 1 1 A 65 65 ARG HA H 65 5.006 5.004 0.002 1
1 776 . 4 1 1 A 65 65 ARG C C 65 172.130 173.772 -1.642 1
1 777 . 4 1 1 A 65 65 ARG CA C 65 53.368 53.020 0.348 1
1 778 . 4 1 1 A 65 65 ARG CB C 65 28.429 32.896 -4.467 1
1 781 . 4 1 1 A 65 65 ARG N N 65 108.790 118.593 -9.803 1
1 783 . 4 1 1 A 66 66 PRO HA H 66 4.281 4.859 -0.578 1
1 790 . 4 1 1 A 66 66 PRO C C 66 172.940 176.423 -3.483 1
1 791 . 4 1 1 A 66 66 PRO CA C 66 63.677 63.120 0.557 1
1 792 . 4 1 1 A 66 66 PRO CB C 66 32.592 33.007 -0.415 1
1 795 . 4 1 1 A 67 67 TRP H H 67 8.716 8.808 -0.092 1
1 796 . 4 1 1 A 67 67 TRP HA H 67 5.406 5.333 0.073 1
1 805 . 4 1 1 A 67 67 TRP C C 67 172.919 173.918 -0.999 1
1 806 . 4 1 1 A 67 67 TRP CA C 67 56.035 55.312 0.723 1
1 807 . 4 1 1 A 67 67 TRP CB C 67 34.026 32.072 1.954 1
1 813 . 4 1 1 A 67 67 TRP N N 67 121.250 118.597 2.653 1
1 815 . 4 1 1 A 68 68 CYS H H 68 8.384 9.432 -1.048 1
1 816 . 4 1 1 A 68 68 CYS HA H 68 4.265 4.891 -0.626 1
1 819 . 4 1 1 A 68 68 CYS C C 68 175.079 172.993 2.086 1
1 820 . 4 1 1 A 68 68 CYS CA C 68 55.876 55.558 0.318 1
1 821 . 4 1 1 A 68 68 CYS CB C 68 42.232 46.175 -3.943 1
1 822 . 4 1 1 A 68 68 CYS N N 68 109.624 117.679 -8.055 1
1 823 . 4 1 1 A 69 69 PHE H H 69 8.031 8.480 -0.449 1
1 824 . 4 1 1 A 69 69 PHE HA H 69 5.420 4.986 0.434 1
1 832 . 4 1 1 A 69 69 PHE C C 69 176.814 175.560 1.254 1
1 833 . 4 1 1 A 69 69 PHE CA C 69 59.299 58.115 1.184 1
1 834 . 4 1 1 A 69 69 PHE CB C 69 38.411 39.790 -1.379 1
1 840 . 4 1 1 A 69 69 PHE N N 69 120.433 121.670 -1.237 1
1 841 . 4 1 1 A 70 70 THR H H 70 8.002 8.471 -0.469 1
1 842 . 4 1 1 A 70 70 THR HA H 70 5.408 4.583 0.825 1
1 848 . 4 1 1 A 70 70 THR C C 70 173.518 175.156 -1.638 1
1 849 . 4 1 1 A 70 70 THR CA C 70 61.208 62.169 -0.961 1
1 850 . 4 1 1 A 70 70 THR CB C 70 70.441 69.920 0.521 1
1 852 . 4 1 1 A 70 70 THR N N 70 112.351 118.507 -6.156 1
1 853 . 4 1 1 A 71 71 THR H H 71 8.126 8.532 -0.406 1
1 854 . 4 1 1 A 71 71 THR HA H 71 4.037 4.598 -0.561 1
1 860 . 4 1 1 A 71 71 THR C C 71 174.903 173.546 1.357 1
1 861 . 4 1 1 A 71 71 THR CA C 71 62.413 62.889 -0.476 1
1 862 . 4 1 1 A 71 71 THR CB C 71 69.167 69.215 -0.048 1
1 864 . 4 1 1 A 71 71 THR N N 71 104.863 119.783 -14.920 1
1 865 . 4 1 1 A 72 72 ASP H H 72 9.024 7.959 1.065 1
1 866 . 4 1 1 A 72 72 ASP HA H 72 4.936 4.982 -0.046 1
1 869 . 4 1 1 A 72 72 ASP C C 72 176.929 175.784 1.145 1
1 870 . 4 1 1 A 72 72 ASP CA C 72 51.333 50.971 0.362 1
1 871 . 4 1 1 A 72 72 ASP CB C 72 43.416 42.661 0.755 1
1 872 . 4 1 1 A 72 72 ASP N N 72 126.242 122.831 3.411 1
1 873 . 4 1 1 A 73 73 PRO HA H 73 3.962 4.301 -0.339 1
1 880 . 4 1 1 A 73 73 PRO C C 73 177.045 178.043 -0.998 1
1 881 . 4 1 1 A 73 73 PRO CA C 73 64.632 64.410 0.222 1
1 882 . 4 1 1 A 73 73 PRO CB C 73 32.460 31.876 0.584 1
1 885 . 4 1 1 A 74 74 ASN H H 74 8.943 8.233 0.710 1
1 886 . 4 1 1 A 74 74 ASN HA H 74 4.854 4.636 0.218 1
1 891 . 4 1 1 A 74 74 ASN C C 74 174.443 175.758 -1.315 1
1 892 . 4 1 1 A 74 74 ASN CA C 74 53.380 55.876 -2.496 1
1 893 . 4 1 1 A 74 74 ASN CB C 74 39.333 39.215 0.118 1
1 894 . 4 1 1 A 74 74 ASN N N 74 114.144 114.934 -0.790 1
1 896 . 4 1 1 A 75 75 LYS H H 75 7.795 7.607 0.188 1
1 897 . 4 1 1 A 75 75 LYS HA H 75 4.571 4.362 0.209 1
1 906 . 4 1 1 A 75 75 LYS C C 75 173.402 176.428 -3.026 1
1 907 . 4 1 1 A 75 75 LYS CA C 75 54.154 55.996 -1.842 1
1 908 . 4 1 1 A 75 75 LYS CB C 75 32.186 33.413 -1.227 1
1 912 . 4 1 1 A 75 75 LYS N N 75 122.835 119.229 3.606 1
1 913 . 4 1 1 A 76 76 ARG H H 76 9.132 8.864 0.268 1
1 914 . 4 1 1 A 76 76 ARG HA H 76 4.555 4.070 0.485 1
1 922 . 4 1 1 A 76 76 ARG C C 76 175.137 175.947 -0.810 1
1 923 . 4 1 1 A 76 76 ARG CA C 76 60.532 57.928 2.604 1
1 924 . 4 1 1 A 76 76 ARG CB C 76 29.307 31.305 -1.998 1
1 927 . 4 1 1 A 76 76 ARG N N 76 129.676 126.798 2.878 1
1 929 . 4 1 1 A 77 77 TRP H H 77 7.559 7.388 0.171 1
1 930 . 4 1 1 A 77 77 TRP HA H 77 5.357 5.232 0.125 1
1 939 . 4 1 1 A 77 77 TRP C C 77 172.940 174.249 -1.309 1
1 940 . 4 1 1 A 77 77 TRP CA C 77 55.044 55.617 -0.573 1
1 941 . 4 1 1 A 77 77 TRP CB C 77 31.951 31.312 0.639 1
1 947 . 4 1 1 A 77 77 TRP N N 77 109.174 113.957 -4.783 1
1 949 . 4 1 1 A 78 78 GLU H H 78 8.638 9.262 -0.624 1
1 950 . 4 1 1 A 78 78 GLU HA H 78 3.671 4.851 -1.180 1
1 955 . 4 1 1 A 78 78 GLU C C 78 174.501 175.840 -1.339 1
1 956 . 4 1 1 A 78 78 GLU CA C 78 55.659 54.563 1.096 1
1 957 . 4 1 1 A 78 78 GLU CB C 78 34.557 34.194 0.363 1
1 959 . 4 1 1 A 78 78 GLU N N 78 118.907 119.426 -0.519 1
1 960 . 4 1 1 A 79 79 TYR H H 79 7.636 9.025 -1.389 1
1 961 . 4 1 1 A 79 79 TYR HA H 79 4.995 5.016 -0.021 1
1 968 . 4 1 1 A 79 79 TYR C C 79 175.889 175.699 0.190 1
1 969 . 4 1 1 A 79 79 TYR CA C 79 60.120 58.817 1.303 1
1 970 . 4 1 1 A 79 79 TYR CB C 79 39.789 39.163 0.626 1
1 975 . 4 1 1 A 79 79 TYR N N 79 119.277 120.150 -0.873 1
1 976 . 4 1 1 A 80 80 CYS H H 80 9.398 8.807 0.591 1
1 977 . 4 1 1 A 80 80 CYS HA H 80 4.720 5.424 -0.704 1
1 980 . 4 1 1 A 80 80 CYS C C 80 172.419 171.903 0.516 1
1 981 . 4 1 1 A 80 80 CYS CA C 80 54.618 54.619 -0.001 1
1 982 . 4 1 1 A 80 80 CYS CB C 80 46.736 45.790 0.946 1
1 983 . 4 1 1 A 80 80 CYS N N 80 118.623 121.254 -2.631 1
1 984 . 4 1 1 A 81 81 ASP H H 81 9.729 9.072 0.657 1
1 985 . 4 1 1 A 81 81 ASP HA H 81 4.781 4.956 -0.175 1
1 988 . 4 1 1 A 81 81 ASP C C 81 173.576 174.795 -1.219 1
1 989 . 4 1 1 A 81 81 ASP CA C 81 52.855 53.037 -0.182 1
1 990 . 4 1 1 A 81 81 ASP CB C 81 40.733 41.286 -0.553 1
1 991 . 4 1 1 A 81 81 ASP N N 81 124.777 127.941 -3.164 1
1 992 . 4 1 1 A 82 82 ILE H H 82 7.820 8.295 -0.475 1
1 993 . 4 1 1 A 82 82 ILE HA H 82 4.320 4.581 -0.261 1
1 1003 . 4 1 1 A 82 82 ILE C C 82 173.923 173.723 0.200 1
1 1004 . 4 1 1 A 82 82 ILE CA C 82 56.118 57.231 -1.113 1
1 1005 . 4 1 1 A 82 82 ILE CB C 82 38.166 41.047 -2.881 1
1 1009 . 4 1 1 A 82 82 ILE N N 82 125.281 125.810 -0.529 1
1 1010 . 4 1 1 A 83 83 PRO HA H 83 4.337 4.545 -0.208 1
1 1017 . 4 1 1 A 83 83 PRO C C 83 175.167 175.135 0.032 1
1 1018 . 4 1 1 A 83 83 PRO CA C 83 62.844 62.781 0.063 1
1 1019 . 4 1 1 A 83 83 PRO CB C 83 32.450 32.544 -0.094 1
1 1022 . 4 1 1 A 84 84 ARG H H 84 8.656 8.631 0.025 1
1 1023 . 4 1 1 A 84 84 ARG HA H 84 4.658 4.741 -0.083 1
1 1031 . 4 1 1 A 84 84 ARG C C 84 175.137 174.645 0.492 1
1 1032 . 4 1 1 A 84 84 ARG CA C 84 55.617 54.966 0.651 1
1 1033 . 4 1 1 A 84 84 ARG CB C 84 30.482 33.244 -2.762 1
1 1036 . 4 1 1 A 84 84 ARG N N 84 122.316 122.604 -0.288 1
1 1038 . 4 1 1 A 85 85 CYS H H 85 8.783 8.932 -0.149 1
1 1039 . 4 1 1 A 85 85 CYS HA H 85 4.479 4.932 -0.453 1
1 1042 . 4 1 1 A 85 85 CYS C C 85 174.906 174.023 0.883 1
1 1043 . 4 1 1 A 85 85 CYS CA C 85 54.177 54.839 -0.662 1
1 1044 . 4 1 1 A 85 85 CYS CB C 85 39.574 43.968 -4.394 1
1 1045 . 4 1 1 A 85 85 CYS N N 85 124.002 124.911 -0.909 1
1 1046 . 4 1 1 A 86 86 ALA H H 86 8.746 8.999 -0.253 1
1 1047 . 4 1 1 A 86 86 ALA HA H 86 4.255 3.969 0.286 1
1 1051 . 4 1 1 A 86 86 ALA C C 86 176.236 177.866 -1.630 1
1 1052 . 4 1 1 A 86 86 ALA CA C 86 53.067 54.903 -1.836 1
1 1053 . 4 1 1 A 86 86 ALA CB C 86 19.034 18.981 0.053 1
1 1054 . 4 1 1 A 86 86 ALA N N 86 126.444 125.991 0.453 1
1 1064 . 4 2 2 B 2 2 SER HA H 100 4.570 4.173 0.397 1
1 1067 . 4 2 2 B 2 2 SER C C 100 174.779 174.906 -0.127 1
1 1068 . 4 2 2 B 2 2 SER CA C 100 58.624 62.407 -3.783 1
1 1069 . 4 2 2 B 2 2 SER CB C 100 63.939 63.684 0.255 1
1 1070 . 4 2 2 B 3 3 VAL H H 101 8.341 7.950 0.391 1
1 1071 . 4 2 2 B 3 3 VAL HA H 101 4.151 3.693 0.458 1
1 1079 . 4 2 2 B 3 3 VAL C C 101 176.450 174.754 1.696 1
1 1080 . 4 2 2 B 3 3 VAL CA C 101 62.793 65.620 -2.827 1
1 1081 . 4 2 2 B 3 3 VAL CB C 101 32.495 29.540 2.955 1
1 1084 . 4 2 2 B 3 3 VAL N N 101 121.954 117.755 4.199 1
1 1085 . 4 2 2 B 4 4 GLU H H 102 8.521 8.255 0.266 1
1 1086 . 4 2 2 B 4 4 GLU HA H 102 4.291 4.663 -0.372 1
1 1091 . 4 2 2 B 4 4 GLU C C 102 176.450 174.823 1.627 1
1 1092 . 4 2 2 B 4 4 GLU CA C 102 56.955 54.789 2.166 1
1 1093 . 4 2 2 B 4 4 GLU CB C 102 30.233 31.001 -0.768 1
1 1095 . 4 2 2 B 4 4 GLU N N 102 124.722 119.903 4.819 1
1 1096 . 4 2 2 B 5 5 LYS H H 103 8.323 8.554 -0.231 1
1 1097 . 4 2 2 B 5 5 LYS HA H 103 4.313 4.518 -0.205 1
1 1106 . 4 2 2 B 5 5 LYS C C 103 176.784 176.078 0.706 1
1 1107 . 4 2 2 B 5 5 LYS CA C 103 56.688 54.533 2.155 1
1 1108 . 4 2 2 B 5 5 LYS CB C 103 30.228 33.018 -2.790 1
1 1112 . 4 2 2 B 5 5 LYS N N 103 122.689 123.270 -0.581 1
1 1113 . 4 2 2 B 6 6 LEU H H 104 8.369 8.004 0.365 1
1 1114 . 4 2 2 B 6 6 LEU HA H 104 4.500 3.849 0.651 1
1 1124 . 4 2 2 B 6 6 LEU C C 104 177.632 175.382 2.250 1
1 1125 . 4 2 2 B 6 6 LEU CA C 104 55.480 57.232 -1.752 1
1 1126 . 4 2 2 B 6 6 LEU CB C 104 42.587 39.884 2.703 1
1 1130 . 4 2 2 B 6 6 LEU N N 104 123.373 116.434 6.939 1
1 1131 . 4 2 2 B 7 7 THR HA H 105 4.558 4.824 -0.266 1
1 1137 . 4 2 2 B 7 7 THR C C 105 175.614 174.770 0.844 1
1 1138 . 4 2 2 B 7 7 THR CA C 105 62.000 60.672 1.328 1
1 1139 . 4 2 2 B 7 7 THR CB C 105 70.090 72.292 -2.202 1
1 1141 . 4 2 2 B 8 8 ALA H H 106 8.649 9.051 -0.402 1
1 1142 . 4 2 2 B 8 8 ALA HA H 106 4.458 4.073 0.385 1
1 1146 . 4 2 2 B 8 8 ALA C C 106 179.290 179.239 0.051 1
1 1147 . 4 2 2 B 8 8 ALA CA C 106 55.552 55.611 -0.059 1
1 1148 . 4 2 2 B 8 8 ALA CB C 106 18.704 18.154 0.550 1
1 1149 . 4 2 2 B 8 8 ALA N N 106 124.857 126.852 -1.995 1
1 1150 . 4 2 2 B 9 9 ASP H H 107 8.286 8.316 -0.030 1
1 1151 . 4 2 2 B 9 9 ASP HA H 107 4.457 4.420 0.037 1
1 1154 . 4 2 2 B 9 9 ASP C C 107 178.845 178.369 0.476 1
1 1155 . 4 2 2 B 9 9 ASP CA C 107 57.733 57.091 0.642 1
1 1156 . 4 2 2 B 9 9 ASP CB C 107 40.881 41.904 -1.023 1
1 1157 . 4 2 2 B 9 9 ASP N N 107 115.621 117.961 -2.340 1
1 1158 . 4 2 2 B 10 10 ALA H H 108 7.887 8.263 -0.376 1
1 1159 . 4 2 2 B 10 10 ALA HA H 108 4.182 3.992 0.190 1
1 1163 . 4 2 2 B 10 10 ALA C C 108 180.906 178.926 1.980 1
1 1164 . 4 2 2 B 10 10 ALA CA C 108 55.014 55.093 -0.079 1
1 1165 . 4 2 2 B 10 10 ALA CB C 108 18.631 18.156 0.475 1
1 1166 . 4 2 2 B 10 10 ALA N N 108 122.756 121.461 1.295 1
1 1167 . 4 2 2 B 11 11 GLU H H 109 8.390 7.847 0.543 1
1 1168 . 4 2 2 B 11 11 GLU HA H 109 4.256 4.120 0.136 1
1 1173 . 4 2 2 B 11 11 GLU C C 109 178.678 178.980 -0.302 1
1 1174 . 4 2 2 B 11 11 GLU CA C 109 59.105 59.046 0.059 1
1 1175 . 4 2 2 B 11 11 GLU CB C 109 29.559 29.476 0.083 1
1 1177 . 4 2 2 B 11 11 GLU N N 109 121.999 119.302 2.697 1
1 1178 . 4 2 2 B 12 12 LEU H H 110 8.395 8.424 -0.029 1
1 1179 . 4 2 2 B 12 12 LEU HA H 110 3.808 3.948 -0.140 1
1 1189 . 4 2 2 B 12 12 LEU C C 110 178.288 179.086 -0.798 1
1 1190 . 4 2 2 B 12 12 LEU CA C 110 58.407 57.947 0.460 1
1 1191 . 4 2 2 B 12 12 LEU CB C 110 41.329 41.546 -0.217 1
1 1195 . 4 2 2 B 12 12 LEU N N 110 119.939 120.003 -0.064 1
1 1196 . 4 2 2 B 13 13 GLN H H 111 7.761 8.247 -0.486 1
1 1197 . 4 2 2 B 13 13 GLN HA H 111 4.008 3.917 0.091 1
1 1202 . 4 2 2 B 13 13 GLN C C 111 177.954 178.292 -0.338 1
1 1203 . 4 2 2 B 13 13 GLN CA C 111 58.674 59.276 -0.602 1
1 1204 . 4 2 2 B 13 13 GLN CB C 111 28.513 28.235 0.278 1
1 1206 . 4 2 2 B 13 13 GLN N N 111 117.305 118.789 -1.484 1
1 1207 . 4 2 2 B 14 14 ARG H H 112 7.752 7.728 0.024 1
1 1208 . 4 2 2 B 14 14 ARG HA H 112 4.053 4.173 -0.120 1
1 1216 . 4 2 2 B 14 14 ARG C C 112 179.625 179.027 0.598 1
1 1217 . 4 2 2 B 14 14 ARG CA C 112 59.770 58.884 0.886 1
1 1218 . 4 2 2 B 14 14 ARG CB C 112 29.884 30.017 -0.133 1
1 1221 . 4 2 2 B 14 14 ARG N N 112 121.241 120.347 0.894 1
1 1223 . 4 2 2 B 15 15 LEU H H 113 8.478 8.428 0.050 1
1 1224 . 4 2 2 B 15 15 LEU HA H 113 3.974 3.974 0.000 1
1 1234 . 4 2 2 B 15 15 LEU C C 113 180.627 179.472 1.155 1
1 1235 . 4 2 2 B 15 15 LEU CA C 113 58.251 58.031 0.220 1
1 1236 . 4 2 2 B 15 15 LEU CB C 113 41.751 41.721 0.030 1
1 1240 . 4 2 2 B 15 15 LEU N N 113 120.898 119.546 1.352 1
1 1241 . 4 2 2 B 16 16 LYS H H 114 8.437 8.287 0.150 1
1 1242 . 4 2 2 B 16 16 LYS HA H 114 3.368 4.051 -0.683 1
1 1251 . 4 2 2 B 16 16 LYS C C 114 178.288 179.171 -0.883 1
1 1252 . 4 2 2 B 16 16 LYS CA C 114 60.242 59.584 0.658 1
1 1253 . 4 2 2 B 16 16 LYS CB C 114 30.249 31.994 -1.745 1
1 1257 . 4 2 2 B 16 16 LYS N N 114 123.214 120.933 2.281 1
1 1258 . 4 2 2 B 17 17 ASN H H 115 8.137 8.765 -0.628 1
1 1259 . 4 2 2 B 17 17 ASN HA H 115 4.270 4.422 -0.152 1
1 1264 . 4 2 2 B 17 17 ASN C C 115 178.288 177.457 0.831 1
1 1265 . 4 2 2 B 17 17 ASN CA C 115 56.318 56.125 0.193 1
1 1266 . 4 2 2 B 17 17 ASN CB C 115 37.573 37.360 0.213 1
1 1267 . 4 2 2 B 17 17 ASN N N 115 117.923 115.028 2.895 1
1 1269 . 4 2 2 B 18 18 GLU H H 116 8.110 8.401 -0.291 1
1 1270 . 4 2 2 B 18 18 GLU HA H 116 4.146 4.045 0.101 1
1 1275 . 4 2 2 B 18 18 GLU C C 116 178.956 178.814 0.142 1
1 1276 . 4 2 2 B 18 18 GLU CA C 116 59.659 59.716 -0.057 1
1 1277 . 4 2 2 B 18 18 GLU CB C 116 29.950 29.290 0.660 1
1 1279 . 4 2 2 B 18 18 GLU N N 116 120.249 120.276 -0.027 1
1 1280 . 4 2 2 B 19 19 ARG H H 117 7.925 8.072 -0.147 1
1 1281 . 4 2 2 B 19 19 ARG HA H 117 4.057 4.147 -0.090 1
1 1289 . 4 2 2 B 19 19 ARG C C 117 180.070 179.178 0.892 1
1 1290 . 4 2 2 B 19 19 ARG CA C 117 59.564 58.937 0.627 1
1 1291 . 4 2 2 B 19 19 ARG CB C 117 29.879 30.340 -0.461 1
1 1294 . 4 2 2 B 19 19 ARG N N 117 119.801 118.753 1.048 1
1 1296 . 4 2 2 B 20 20 HIS H H 118 8.316 7.836 0.480 1
1 1297 . 4 2 2 B 20 20 HIS HA H 118 4.574 4.388 0.186 1
1 1304 . 4 2 2 B 20 20 HIS C C 118 176.784 177.755 -0.971 1
1 1305 . 4 2 2 B 20 20 HIS CA C 118 58.397 59.530 -1.133 1
1 1306 . 4 2 2 B 20 20 HIS CB C 118 29.343 30.362 -1.019 1
1 1309 . 4 2 2 B 20 20 HIS N N 118 117.802 118.004 -0.202 1
1 1310 . 4 2 2 B 21 21 GLU H H 119 8.400 8.552 -0.152 1
1 1311 . 4 2 2 B 21 21 GLU HA H 119 4.268 3.813 0.455 1
1 1316 . 4 2 2 B 21 21 GLU C C 119 178.566 179.386 -0.820 1
1 1317 . 4 2 2 B 21 21 GLU CA C 119 59.105 59.916 -0.811 1
1 1318 . 4 2 2 B 21 21 GLU CB C 119 29.559 29.469 0.090 1
1 1320 . 4 2 2 B 21 21 GLU N N 119 121.996 119.836 2.160 1
1 1321 . 4 2 2 B 22 22 GLU H H 120 8.285 8.706 -0.421 1
1 1322 . 4 2 2 B 22 22 GLU HA H 120 4.204 3.985 0.219 1
1 1327 . 4 2 2 B 22 22 GLU C C 120 178.288 179.203 -0.915 1
1 1328 . 4 2 2 B 22 22 GLU CA C 120 58.841 59.084 -0.243 1
1 1329 . 4 2 2 B 22 22 GLU CB C 120 29.322 29.758 -0.436 1
1 1331 . 4 2 2 B 22 22 GLU N N 120 119.798 120.803 -1.005 1
1 1332 . 4 2 2 B 23 23 ALA H H 121 8.037 8.416 -0.379 1
1 1333 . 4 2 2 B 23 23 ALA HA H 121 4.270 4.027 0.243 1
1 1337 . 4 2 2 B 23 23 ALA C C 121 179.569 179.341 0.228 1
1 1338 . 4 2 2 B 23 23 ALA CA C 121 54.158 54.704 -0.546 1
1 1339 . 4 2 2 B 23 23 ALA CB C 121 18.923 18.096 0.827 1
1 1340 . 4 2 2 B 23 23 ALA N N 121 122.418 122.739 -0.321 1
1 1341 . 4 2 2 B 24 24 GLU H H 122 8.039 7.731 0.308 1
1 1342 . 4 2 2 B 24 24 GLU HA H 122 4.291 4.081 0.210 1
1 1347 . 4 2 2 B 24 24 GLU C C 122 177.954 179.218 -1.264 1
1 1348 . 4 2 2 B 24 24 GLU CA C 122 58.023 58.620 -0.597 1
1 1349 . 4 2 2 B 24 24 GLU CB C 122 29.566 29.489 0.077 1
1 1351 . 4 2 2 B 24 24 GLU N N 122 119.517 118.463 1.054 1
1 1352 . 4 2 2 B 25 25 LEU H H 123 7.962 8.571 -0.609 1
1 1353 . 4 2 2 B 25 25 LEU HA H 123 4.226 4.129 0.097 1
1 1363 . 4 2 2 B 25 25 LEU C C 123 179.123 178.469 0.654 1
1 1364 . 4 2 2 B 25 25 LEU CA C 123 57.213 57.635 -0.422 1
1 1365 . 4 2 2 B 25 25 LEU CB C 123 41.809 41.553 0.256 1
1 1369 . 4 2 2 B 25 25 LEU N N 123 120.617 121.905 -1.288 1
1 1370 . 4 2 2 B 26 26 GLU H H 124 8.093 8.575 -0.482 1
1 1371 . 4 2 2 B 26 26 GLU HA H 124 4.140 3.963 0.177 1
1 1376 . 4 2 2 B 26 26 GLU C C 124 177.954 178.626 -0.672 1
1 1377 . 4 2 2 B 26 26 GLU CA C 124 58.095 59.364 -1.269 1
1 1378 . 4 2 2 B 26 26 GLU CB C 124 29.910 29.106 0.804 1
1 1380 . 4 2 2 B 26 26 GLU N N 124 119.473 119.414 0.059 1
1 1381 . 4 2 2 B 27 27 ARG H H 125 7.954 7.656 0.298 1
1 1382 . 4 2 2 B 27 27 ARG HA H 125 4.210 4.084 0.126 1
1 1390 . 4 2 2 B 27 27 ARG C C 125 177.619 178.577 -0.958 1
1 1391 . 4 2 2 B 27 27 ARG CA C 125 57.677 59.191 -1.514 1
1 1392 . 4 2 2 B 27 27 ARG CB C 125 30.374 30.045 0.329 1
1 1395 . 4 2 2 B 27 27 ARG N N 125 120.670 119.816 0.854 1
1 1397 . 4 2 2 B 28 28 LEU H H 126 8.038 8.267 -0.229 1
1 1398 . 4 2 2 B 28 28 LEU HA H 126 4.270 4.063 0.207 1
1 1408 . 4 2 2 B 28 28 LEU C C 126 178.065 178.518 -0.453 1
1 1409 . 4 2 2 B 28 28 LEU CA C 126 56.096 57.886 -1.790 1
1 1410 . 4 2 2 B 28 28 LEU CB C 126 42.252 41.663 0.589 1
1 1414 . 4 2 2 B 28 28 LEU N N 126 120.818 121.287 -0.469 1
1 1415 . 4 2 2 B 29 29 LYS H H 127 7.944 8.143 -0.199 1
1 1416 . 4 2 2 B 29 29 LYS HA H 127 4.270 4.222 0.048 1
1 1425 . 4 2 2 B 29 29 LYS C C 127 176.951 176.128 0.823 1
1 1426 . 4 2 2 B 29 29 LYS CA C 127 57.168 58.736 -1.568 1
1 1427 . 4 2 2 B 29 29 LYS CB C 127 32.755 32.968 -0.213 1
1 1431 . 4 2 2 B 29 29 LYS N N 127 119.960 117.451 2.509 1
1 1432 . 4 2 2 B 30 30 SER H H 128 8.030 7.558 0.472 1
1 1433 . 4 2 2 B 30 30 SER HA H 128 4.466 4.454 0.012 1
1 1436 . 4 2 2 B 30 30 SER C C 128 176.101 173.021 3.080 1
1 1437 . 4 2 2 B 30 30 SER CA C 128 58.590 60.013 -1.423 1
1 1438 . 4 2 2 B 30 30 SER CB C 128 63.939 62.086 1.853 1
1 1439 . 4 2 2 B 30 30 SER N N 128 115.496 112.104 3.392 1
1 1440 . 4 2 2 B 31 31 GLU H H 129 8.157 8.724 -0.567 1
1 1441 . 4 2 2 B 31 31 GLU HA H 129 4.291 4.675 -0.384 1
1 1446 . 4 2 2 B 31 31 GLU C C 129 175.112 175.032 0.080 1
1 1447 . 4 2 2 B 31 31 GLU CA C 129 56.654 55.639 1.015 1
1 1448 . 4 2 2 B 31 31 GLU CB C 129 30.389 30.526 -0.137 1
1 1450 . 4 2 2 B 31 31 GLU N N 129 122.569 124.188 -1.619 1
1 1 . 5 1 1 A 2 2 VAL H H 2 7.944 6.833 1.111 1
1 2 . 5 1 1 A 2 2 VAL HA H 2 4.035 3.885 0.150 1
1 10 . 5 1 1 A 2 2 VAL C C 2 174.807 174.879 -0.072 1
1 11 . 5 1 1 A 2 2 VAL CA C 2 61.947 61.154 0.793 1
1 12 . 5 1 1 A 2 2 VAL CB C 2 33.175 32.172 1.003 1
1 15 . 5 1 1 A 2 2 VAL N N 2 123.960 121.215 2.745 1
1 16 . 5 1 1 A 3 3 GLU H H 3 8.465 8.249 0.216 1
1 17 . 5 1 1 A 3 3 GLU HA H 3 4.168 4.222 -0.054 1
1 22 . 5 1 1 A 3 3 GLU C C 3 175.888 175.979 -0.091 1
1 23 . 5 1 1 A 3 3 GLU CA C 3 56.487 56.361 0.126 1
1 24 . 5 1 1 A 3 3 GLU CB C 3 30.349 29.695 0.654 1
1 26 . 5 1 1 A 3 3 GLU N N 3 125.549 124.918 0.631 1
1 27 . 5 1 1 A 4 4 PHE H H 4 8.330 9.027 -0.697 1
1 28 . 5 1 1 A 4 4 PHE HA H 4 4.651 4.950 -0.299 1
1 36 . 5 1 1 A 4 4 PHE C C 4 175.550 176.364 -0.814 1
1 37 . 5 1 1 A 4 4 PHE CA C 4 57.827 57.312 0.515 1
1 38 . 5 1 1 A 4 4 PHE CB C 4 39.623 40.422 -0.799 1
1 44 . 5 1 1 A 4 4 PHE N N 4 121.869 123.507 -1.638 1
1 45 . 5 1 1 A 5 5 SER H H 5 8.177 8.994 -0.817 1
1 46 . 5 1 1 A 5 5 SER HA H 5 4.395 4.319 0.076 1
1 49 . 5 1 1 A 5 5 SER C C 5 173.996 174.473 -0.477 1
1 50 . 5 1 1 A 5 5 SER CA C 5 58.045 60.951 -2.906 1
1 51 . 5 1 1 A 5 5 SER CB C 5 64.050 63.334 0.716 1
1 52 . 5 1 1 A 5 5 SER N N 5 117.865 120.021 -2.156 1
1 53 . 5 1 1 A 6 6 GLU H H 6 8.425 7.752 0.673 1
1 54 . 5 1 1 A 6 6 GLU HA H 6 4.290 4.464 -0.174 1
1 59 . 5 1 1 A 6 6 GLU C C 6 176.699 175.509 1.190 1
1 60 . 5 1 1 A 6 6 GLU CA C 6 56.479 55.675 0.804 1
1 61 . 5 1 1 A 6 6 GLU CB C 6 30.715 28.562 2.153 1
1 63 . 5 1 1 A 6 6 GLU N N 6 122.791 120.959 1.832 1
1 64 . 5 1 1 A 7 7 GLU H H 7 8.421 7.903 0.518 1
1 65 . 5 1 1 A 7 7 GLU HA H 7 4.742 4.679 0.063 1
1 70 . 5 1 1 A 7 7 GLU C C 7 175.145 175.147 -0.002 1
1 71 . 5 1 1 A 7 7 GLU CA C 7 55.617 55.443 0.174 1
1 72 . 5 1 1 A 7 7 GLU CB C 7 29.095 30.589 -1.494 1
1 74 . 5 1 1 A 7 7 GLU N N 7 122.775 124.583 -1.808 1
1 75 . 5 1 1 A 8 8 CYS H H 8 7.917 8.771 -0.854 1
1 76 . 5 1 1 A 8 8 CYS HA H 8 4.969 5.948 -0.979 1
1 79 . 5 1 1 A 8 8 CYS C C 8 171.610 172.011 -0.401 1
1 80 . 5 1 1 A 8 8 CYS CA C 8 53.880 54.326 -0.446 1
1 81 . 5 1 1 A 8 8 CYS CB C 8 43.144 45.718 -2.574 1
1 82 . 5 1 1 A 8 8 CYS N N 8 115.067 121.327 -6.260 1
1 83 . 5 1 1 A 9 9 MET H H 9 9.379 9.259 0.120 1
1 84 . 5 1 1 A 9 9 MET HA H 9 5.049 5.077 -0.028 1
1 89 . 5 1 1 A 9 9 MET C C 9 174.038 175.191 -1.153 1
1 90 . 5 1 1 A 9 9 MET CA C 9 53.312 54.227 -0.915 1
1 91 . 5 1 1 A 9 9 MET CB C 9 36.165 37.442 -1.277 1
1 93 . 5 1 1 A 9 9 MET N N 9 117.763 121.649 -3.886 1
1 94 . 5 1 1 A 10 10 HIS H H 10 9.610 8.438 1.172 1
1 95 . 5 1 1 A 10 10 HIS HA H 10 4.877 4.718 0.159 1
1 102 . 5 1 1 A 10 10 HIS C C 10 176.698 176.068 0.630 1
1 103 . 5 1 1 A 10 10 HIS CA C 10 55.016 56.289 -1.273 1
1 104 . 5 1 1 A 10 10 HIS CB C 10 31.116 29.704 1.412 1
1 107 . 5 1 1 A 10 10 HIS N N 10 124.293 117.945 6.348 1
1 108 . 5 1 1 A 11 11 GLY H H 11 9.249 9.075 0.174 1
1 109 . 5 1 1 A 11 11 GLY HA2 H 11 4.104 3.838 0.266 1
1 110 . 5 1 1 A 11 11 GLY HA3 H 11 3.843 3.868 -0.025 1
1 111 . 5 1 1 A 11 11 GLY C C 11 174.559 175.340 -0.781 1
1 112 . 5 1 1 A 11 11 GLY CA C 11 47.652 47.255 0.397 1
1 113 . 5 1 1 A 11 11 GLY N N 11 115.224 112.012 3.212 1
1 114 . 5 1 1 A 12 12 SER H H 12 8.999 8.617 0.382 1
1 115 . 5 1 1 A 12 12 SER HA H 12 4.653 4.449 0.204 1
1 118 . 5 1 1 A 12 12 SER C C 12 176.178 174.912 1.266 1
1 119 . 5 1 1 A 12 12 SER CA C 12 57.731 59.875 -2.144 1
1 120 . 5 1 1 A 12 12 SER CB C 12 63.439 63.670 -0.231 1
1 121 . 5 1 1 A 12 12 SER N N 12 121.965 121.866 0.099 1
1 122 . 5 1 1 A 13 13 GLY H H 13 9.022 7.602 1.420 1
1 123 . 5 1 1 A 13 13 GLY HA2 H 13 4.052 3.903 0.149 1
1 124 . 5 1 1 A 13 13 GLY HA3 H 13 3.957 3.913 0.044 1
1 125 . 5 1 1 A 13 13 GLY C C 13 176.178 174.769 1.409 1
1 126 . 5 1 1 A 13 13 GLY CA C 13 47.972 45.954 2.018 1
1 127 . 5 1 1 A 13 13 GLY N N 13 109.294 109.369 -0.075 1
1 128 . 5 1 1 A 14 14 GLU H H 14 9.552 8.391 1.161 1
1 129 . 5 1 1 A 14 14 GLU HA H 14 4.347 4.309 0.038 1
1 134 . 5 1 1 A 14 14 GLU C C 14 177.045 177.361 -0.316 1
1 135 . 5 1 1 A 14 14 GLU CA C 14 60.282 58.594 1.688 1
1 136 . 5 1 1 A 14 14 GLU CB C 14 29.145 29.767 -0.622 1
1 138 . 5 1 1 A 14 14 GLU N N 14 123.736 119.367 4.369 1
1 139 . 5 1 1 A 15 15 ASN H H 15 8.425 7.794 0.631 1
1 140 . 5 1 1 A 15 15 ASN HA H 15 5.030 4.866 0.164 1
1 144 . 5 1 1 A 15 15 ASN C C 15 174.848 174.730 0.118 1
1 145 . 5 1 1 A 15 15 ASN CA C 15 51.725 52.392 -0.667 1
1 146 . 5 1 1 A 15 15 ASN CB C 15 38.404 38.802 -0.398 1
1 147 . 5 1 1 A 15 15 ASN N N 15 112.918 117.278 -4.360 1
1 150 . 5 1 1 A 16 16 TYR H H 16 7.622 7.656 -0.034 1
1 151 . 5 1 1 A 16 16 TYR HA H 16 4.445 4.679 -0.234 1
1 159 . 5 1 1 A 16 16 TYR C C 16 175.773 174.951 0.822 1
1 160 . 5 1 1 A 16 16 TYR CA C 16 60.125 59.202 0.923 1
1 161 . 5 1 1 A 16 16 TYR CB C 16 38.590 38.853 -0.263 1
1 166 . 5 1 1 A 16 16 TYR N N 16 121.437 121.801 -0.364 1
1 167 . 5 1 1 A 17 17 ASP H H 17 8.722 8.066 0.656 1
1 168 . 5 1 1 A 17 17 ASP HA H 17 4.599 4.688 -0.089 1
1 171 . 5 1 1 A 17 17 ASP C C 17 175.748 175.463 0.285 1
1 172 . 5 1 1 A 17 17 ASP CA C 17 52.327 52.744 -0.417 1
1 173 . 5 1 1 A 17 17 ASP CB C 17 42.265 41.766 0.499 1
1 174 . 5 1 1 A 17 17 ASP N N 17 130.345 128.621 1.724 1
1 175 . 5 1 1 A 18 18 GLY H H 18 4.504 6.681 -2.177 1
1 176 . 5 1 1 A 18 18 GLY HA2 H 18 4.092 3.512 0.580 1
1 177 . 5 1 1 A 18 18 GLY HA3 H 18 3.786 3.752 0.034 1
1 178 . 5 1 1 A 18 18 GLY C C 18 174.732 172.502 2.230 1
1 179 . 5 1 1 A 18 18 GLY CA C 18 44.739 44.286 0.453 1
1 180 . 5 1 1 A 18 18 GLY N N 18 104.445 107.584 -3.139 1
1 181 . 5 1 1 A 19 19 LYS H H 19 9.272 8.539 0.733 1
1 182 . 5 1 1 A 19 19 LYS HA H 19 3.248 4.148 -0.900 1
1 191 . 5 1 1 A 19 19 LYS C C 19 176.409 174.953 1.456 1
1 192 . 5 1 1 A 19 19 LYS CA C 19 55.454 55.387 0.067 1
1 193 . 5 1 1 A 19 19 LYS CB C 19 32.499 31.789 0.710 1
1 197 . 5 1 1 A 19 19 LYS N N 19 117.569 120.447 -2.878 1
1 198 . 5 1 1 A 20 20 ILE H H 20 7.559 8.694 -1.135 1
1 199 . 5 1 1 A 20 20 ILE HA H 20 3.991 4.966 -0.975 1
1 209 . 5 1 1 A 20 20 ILE C C 20 176.756 175.934 0.822 1
1 210 . 5 1 1 A 20 20 ILE CA C 20 64.261 59.754 4.507 1
1 211 . 5 1 1 A 20 20 ILE CB C 20 36.212 41.063 -4.851 1
1 215 . 5 1 1 A 20 20 ILE N N 20 122.778 124.518 -1.740 1
1 216 . 5 1 1 A 21 21 SER H H 21 8.817 8.941 -0.124 1
1 217 . 5 1 1 A 21 21 SER HA H 21 5.128 4.900 0.228 1
1 220 . 5 1 1 A 21 21 SER C C 21 172.708 173.819 -1.111 1
1 221 . 5 1 1 A 21 21 SER CA C 21 57.513 57.275 0.238 1
1 222 . 5 1 1 A 21 21 SER CB C 21 65.126 64.483 0.643 1
1 223 . 5 1 1 A 21 21 SER N N 21 122.859 121.441 1.418 1
1 224 . 5 1 1 A 22 22 LYS H H 22 7.150 7.720 -0.570 1
1 225 . 5 1 1 A 22 22 LYS HA H 22 5.530 5.547 -0.017 1
1 234 . 5 1 1 A 22 22 LYS C C 22 176.120 176.765 -0.645 1
1 235 . 5 1 1 A 22 22 LYS CA C 22 53.471 54.855 -1.384 1
1 236 . 5 1 1 A 22 22 LYS CB C 22 37.049 35.649 1.400 1
1 240 . 5 1 1 A 22 22 LYS N N 22 119.681 120.933 -1.252 1
1 241 . 5 1 1 A 23 23 THR H H 23 9.134 9.031 0.103 1
1 242 . 5 1 1 A 23 23 THR HA H 23 4.630 4.681 -0.051 1
1 248 . 5 1 1 A 23 23 THR C C 23 177.971 176.075 1.896 1
1 249 . 5 1 1 A 23 23 THR CA C 23 61.032 60.850 0.182 1
1 250 . 5 1 1 A 23 23 THR CB C 23 70.818 71.332 -0.514 1
1 252 . 5 1 1 A 23 23 THR N N 23 111.072 115.053 -3.981 1
1 253 . 5 1 1 A 24 24 MET H H 24 9.383 8.941 0.442 1
1 254 . 5 1 1 A 24 24 MET HA H 24 4.168 4.274 -0.106 1
1 259 . 5 1 1 A 24 24 MET C C 24 176.122 177.270 -1.148 1
1 260 . 5 1 1 A 24 24 MET CA C 24 58.704 57.589 1.115 1
1 261 . 5 1 1 A 24 24 MET CB C 24 32.546 32.674 -0.128 1
1 263 . 5 1 1 A 24 24 MET N N 24 118.120 119.867 -1.747 1
1 264 . 5 1 1 A 25 25 SER H H 25 7.763 8.345 -0.582 1
1 265 . 5 1 1 A 25 25 SER HA H 25 4.575 4.559 0.016 1
1 269 . 5 1 1 A 25 25 SER C C 25 174.848 174.698 0.150 1
1 270 . 5 1 1 A 25 25 SER CA C 25 58.895 58.630 0.265 1
1 271 . 5 1 1 A 25 25 SER CB C 25 62.844 64.145 -1.301 1
1 272 . 5 1 1 A 25 25 SER N N 25 113.626 113.662 -0.036 1
1 273 . 5 1 1 A 26 26 GLY H H 26 8.136 8.183 -0.047 1
1 274 . 5 1 1 A 26 26 GLY HA2 H 26 4.305 3.952 0.353 1
1 275 . 5 1 1 A 26 26 GLY HA3 H 26 3.503 3.957 -0.454 1
1 276 . 5 1 1 A 26 26 GLY C C 26 174.212 174.613 -0.401 1
1 277 . 5 1 1 A 26 26 GLY CA C 26 45.125 45.890 -0.765 1
1 278 . 5 1 1 A 26 26 GLY N N 26 110.819 110.100 0.719 1
1 279 . 5 1 1 A 27 27 LEU H H 27 7.183 8.278 -1.095 1
1 280 . 5 1 1 A 27 27 LEU HA H 27 4.319 4.539 -0.220 1
1 290 . 5 1 1 A 27 27 LEU C C 27 176.178 176.336 -0.158 1
1 291 . 5 1 1 A 27 27 LEU CA C 27 54.211 54.173 0.038 1
1 292 . 5 1 1 A 27 27 LEU CB C 27 42.260 42.726 -0.466 1
1 296 . 5 1 1 A 27 27 LEU N N 27 120.765 122.126 -1.361 1
1 297 . 5 1 1 A 28 28 GLU H H 28 8.699 8.652 0.047 1
1 298 . 5 1 1 A 28 28 GLU HA H 28 4.506 4.464 0.042 1
1 303 . 5 1 1 A 28 28 GLU C C 28 177.161 176.457 0.704 1
1 304 . 5 1 1 A 28 28 GLU CA C 28 56.451 56.419 0.032 1
1 305 . 5 1 1 A 28 28 GLU CB C 28 30.018 30.540 -0.522 1
1 307 . 5 1 1 A 28 28 GLU N N 28 122.582 120.698 1.884 1
1 308 . 5 1 1 A 29 29 CYS H H 29 8.624 8.829 -0.205 1
1 309 . 5 1 1 A 29 29 CYS HA H 29 4.812 5.061 -0.249 1
1 312 . 5 1 1 A 29 29 CYS C C 29 177.045 172.950 4.095 1
1 313 . 5 1 1 A 29 29 CYS CA C 29 55.189 55.771 -0.582 1
1 314 . 5 1 1 A 29 29 CYS CB C 29 37.938 43.208 -5.270 1
1 315 . 5 1 1 A 29 29 CYS N N 29 125.564 124.308 1.256 1
1 316 . 5 1 1 A 30 30 GLN H H 30 9.664 8.889 0.775 1
1 317 . 5 1 1 A 30 30 GLN HA H 30 3.841 4.579 -0.738 1
1 324 . 5 1 1 A 30 30 GLN C C 30 175.310 175.772 -0.462 1
1 325 . 5 1 1 A 30 30 GLN CA C 30 55.501 54.482 1.019 1
1 326 . 5 1 1 A 30 30 GLN CB C 30 29.943 30.453 -0.510 1
1 328 . 5 1 1 A 30 30 GLN N N 30 127.687 124.995 2.692 1
1 330 . 5 1 1 A 31 31 ALA H H 31 8.728 8.736 -0.008 1
1 331 . 5 1 1 A 31 31 ALA HA H 31 4.052 4.538 -0.486 1
1 335 . 5 1 1 A 31 31 ALA C C 31 178.722 178.539 0.183 1
1 336 . 5 1 1 A 31 31 ALA CA C 31 52.327 52.831 -0.504 1
1 337 . 5 1 1 A 31 31 ALA CB C 31 18.034 19.654 -1.620 1
1 338 . 5 1 1 A 31 31 ALA N N 31 128.680 128.513 0.167 1
1 339 . 5 1 1 A 32 32 TRP H H 32 7.703 8.755 -1.052 1
1 340 . 5 1 1 A 32 32 TRP HA H 32 4.244 4.468 -0.224 1
1 349 . 5 1 1 A 32 32 TRP C C 32 177.566 178.834 -1.268 1
1 350 . 5 1 1 A 32 32 TRP CA C 32 59.531 59.858 -0.327 1
1 351 . 5 1 1 A 32 32 TRP CB C 32 29.953 29.434 0.519 1
1 357 . 5 1 1 A 32 32 TRP N N 32 123.505 124.394 -0.889 1
1 359 . 5 1 1 A 33 33 ASP H H 33 8.797 8.121 0.676 1
1 360 . 5 1 1 A 33 33 ASP HA H 33 4.634 4.616 0.018 1
1 363 . 5 1 1 A 33 33 ASP C C 33 175.831 176.330 -0.499 1
1 364 . 5 1 1 A 33 33 ASP CA C 33 54.398 56.415 -2.017 1
1 365 . 5 1 1 A 33 33 ASP CB C 33 40.707 41.276 -0.569 1
1 366 . 5 1 1 A 33 33 ASP N N 33 113.424 120.776 -7.352 1
1 367 . 5 1 1 A 34 34 SER H H 34 8.039 7.891 0.148 1
1 368 . 5 1 1 A 34 34 SER HA H 34 4.737 4.637 0.100 1
1 372 . 5 1 1 A 34 34 SER C C 34 174.096 174.650 -0.554 1
1 373 . 5 1 1 A 34 34 SER CA C 34 56.454 57.168 -0.714 1
1 374 . 5 1 1 A 34 34 SER CB C 34 65.137 64.286 0.851 1
1 375 . 5 1 1 A 34 34 SER N N 34 114.429 115.349 -0.920 1
1 376 . 5 1 1 A 35 35 GLN H H 35 8.387 9.198 -0.811 1
1 377 . 5 1 1 A 35 35 GLN HA H 35 4.426 4.661 -0.235 1
1 384 . 5 1 1 A 35 35 GLN C C 35 173.518 175.384 -1.866 1
1 385 . 5 1 1 A 35 35 GLN CA C 35 54.020 55.391 -1.371 1
1 386 . 5 1 1 A 35 35 GLN CB C 35 28.804 29.175 -0.371 1
1 388 . 5 1 1 A 35 35 GLN N N 35 123.700 128.278 -4.578 1
1 390 . 5 1 1 A 36 36 SER H H 36 7.746 7.306 0.440 1
1 391 . 5 1 1 A 36 36 SER HA H 36 4.466 4.911 -0.445 1
1 395 . 5 1 1 A 36 36 SER C C 36 172.824 173.533 -0.709 1
1 396 . 5 1 1 A 36 36 SER CA C 36 54.749 55.228 -0.479 1
1 397 . 5 1 1 A 36 36 SER CB C 36 65.162 65.085 0.077 1
1 398 . 5 1 1 A 36 36 SER N N 36 112.974 116.059 -3.085 1
1 399 . 5 1 1 A 37 37 PRO HA H 37 4.382 4.418 -0.036 1
1 406 . 5 1 1 A 37 37 PRO C C 37 176.351 176.320 0.031 1
1 407 . 5 1 1 A 37 37 PRO CA C 37 64.110 64.573 -0.463 1
1 408 . 5 1 1 A 37 37 PRO CB C 37 33.670 32.017 1.653 1
1 411 . 5 1 1 A 38 38 HIS H H 38 8.764 7.358 1.406 1
1 412 . 5 1 1 A 38 38 HIS HA H 38 4.897 4.631 0.266 1
1 417 . 5 1 1 A 38 38 HIS C C 38 178.144 175.093 3.051 1
1 418 . 5 1 1 A 38 38 HIS CA C 38 55.580 55.805 -0.225 1
1 419 . 5 1 1 A 38 38 HIS CB C 38 30.421 29.755 0.666 1
1 422 . 5 1 1 A 38 38 HIS N N 38 122.516 117.186 5.330 1
1 423 . 5 1 1 A 39 39 ALA H H 39 8.673 8.578 0.095 1
1 424 . 5 1 1 A 39 39 ALA HA H 39 4.493 4.499 -0.006 1
1 428 . 5 1 1 A 39 39 ALA C C 39 178.375 177.172 1.203 1
1 429 . 5 1 1 A 39 39 ALA CA C 39 51.440 52.246 -0.806 1
1 430 . 5 1 1 A 39 39 ALA CB C 39 18.980 19.486 -0.506 1
1 431 . 5 1 1 A 39 39 ALA N N 39 128.546 127.734 0.812 1
1 432 . 5 1 1 A 40 40 HIS H H 40 9.291 8.607 0.684 1
1 433 . 5 1 1 A 40 40 HIS HA H 40 4.734 5.380 -0.646 1
1 439 . 5 1 1 A 40 40 HIS C C 40 175.484 174.731 0.753 1
1 440 . 5 1 1 A 40 40 HIS CA C 40 56.141 54.024 2.117 1
1 441 . 5 1 1 A 40 40 HIS CB C 40 35.545 32.198 3.347 1
1 444 . 5 1 1 A 40 40 HIS N N 40 120.682 116.905 3.777 1
1 445 . 5 1 1 A 41 41 GLY H H 41 9.080 8.949 0.131 1
1 446 . 5 1 1 A 41 41 GLY HA2 H 41 4.602 3.877 0.725 1
1 447 . 5 1 1 A 41 41 GLY HA3 H 41 3.671 3.917 -0.246 1
1 448 . 5 1 1 A 41 41 GLY C C 41 176.409 173.985 2.424 1
1 449 . 5 1 1 A 41 41 GLY CA C 41 44.724 45.557 -0.833 1
1 450 . 5 1 1 A 41 41 GLY N N 41 106.159 107.962 -1.803 1
1 451 . 5 1 1 A 42 42 TYR H H 42 11.980 8.413 3.567 1
1 452 . 5 1 1 A 42 42 TYR HA H 42 4.616 5.179 -0.563 1
1 459 . 5 1 1 A 42 42 TYR C C 42 174.385 175.419 -1.034 1
1 460 . 5 1 1 A 42 42 TYR CA C 42 57.579 57.066 0.513 1
1 461 . 5 1 1 A 42 42 TYR CB C 42 36.198 36.901 -0.703 1
1 466 . 5 1 1 A 42 42 TYR N N 42 133.554 119.528 14.026 1
1 467 . 5 1 1 A 43 43 ILE H H 43 7.120 8.309 -1.189 1
1 468 . 5 1 1 A 43 43 ILE HA H 43 4.630 4.539 0.091 1
1 478 . 5 1 1 A 43 43 ILE C C 43 177.219 176.086 1.133 1
1 479 . 5 1 1 A 43 43 ILE CA C 43 58.201 58.605 -0.404 1
1 480 . 5 1 1 A 43 43 ILE CB C 43 38.761 37.663 1.098 1
1 484 . 5 1 1 A 43 43 ILE N N 43 118.881 125.395 -6.514 1
1 485 . 5 1 1 A 44 44 PRO HA H 44 4.193 4.565 -0.372 1
1 492 . 5 1 1 A 44 44 PRO C C 44 178.780 177.238 1.542 1
1 493 . 5 1 1 A 44 44 PRO CA C 44 67.061 64.430 2.631 1
1 494 . 5 1 1 A 44 44 PRO CB C 44 32.267 31.924 0.343 1
1 497 . 5 1 1 A 45 45 SER H H 45 7.984 8.269 -0.285 1
1 498 . 5 1 1 A 45 45 SER HA H 45 4.087 4.293 -0.206 1
1 502 . 5 1 1 A 45 45 SER C C 45 176.004 175.751 0.253 1
1 503 . 5 1 1 A 45 45 SER CA C 45 60.161 60.374 -0.213 1
1 504 . 5 1 1 A 45 45 SER CB C 45 62.260 63.069 -0.809 1
1 505 . 5 1 1 A 45 45 SER N N 45 107.865 112.953 -5.088 1
1 506 . 5 1 1 A 46 46 LYS H H 46 7.769 7.748 0.021 1
1 507 . 5 1 1 A 46 46 LYS HA H 46 3.965 4.119 -0.154 1
1 516 . 5 1 1 A 46 46 LYS C C 46 175.831 176.471 -0.640 1
1 517 . 5 1 1 A 46 46 LYS CA C 46 57.349 57.502 -0.153 1
1 518 . 5 1 1 A 46 46 LYS CB C 46 33.283 32.712 0.571 1
1 522 . 5 1 1 A 46 46 LYS N N 46 121.944 118.596 3.348 1
1 523 . 5 1 1 A 47 47 PHE H H 47 7.018 7.547 -0.529 1
1 524 . 5 1 1 A 47 47 PHE HA H 47 5.244 5.115 0.129 1
1 532 . 5 1 1 A 47 47 PHE C C 47 174.790 174.526 0.264 1
1 533 . 5 1 1 A 47 47 PHE CA C 47 54.142 54.776 -0.634 1
1 534 . 5 1 1 A 47 47 PHE CB C 47 39.434 38.766 0.668 1
1 539 . 5 1 1 A 47 47 PHE N N 47 115.480 118.578 -3.098 1
1 540 . 5 1 1 A 48 48 PRO HA H 48 4.472 4.529 -0.057 1
1 547 . 5 1 1 A 48 48 PRO C C 48 177.681 177.937 -0.256 1
1 548 . 5 1 1 A 48 48 PRO CA C 48 65.513 64.584 0.929 1
1 549 . 5 1 1 A 48 48 PRO CB C 48 31.712 31.919 -0.207 1
1 552 . 5 1 1 A 49 49 ASN H H 49 8.559 8.962 -0.403 1
1 553 . 5 1 1 A 49 49 ASN HA H 49 4.818 4.490 0.328 1
1 558 . 5 1 1 A 49 49 ASN C C 49 175.715 176.705 -0.990 1
1 559 . 5 1 1 A 49 49 ASN CA C 49 53.372 55.177 -1.805 1
1 560 . 5 1 1 A 49 49 ASN CB C 49 37.351 37.281 0.070 1
1 561 . 5 1 1 A 49 49 ASN N N 49 114.836 115.954 -1.118 1
1 563 . 5 1 1 A 50 50 LYS H H 50 7.627 7.592 0.035 1
1 564 . 5 1 1 A 50 50 LYS HA H 50 4.480 4.402 0.078 1
1 573 . 5 1 1 A 50 50 LYS C C 50 175.079 175.221 -0.142 1
1 574 . 5 1 1 A 50 50 LYS CA C 50 53.336 55.723 -2.387 1
1 575 . 5 1 1 A 50 50 LYS CB C 50 31.284 32.072 -0.788 1
1 579 . 5 1 1 A 50 50 LYS N N 50 116.224 117.656 -1.432 1
1 580 . 5 1 1 A 51 51 ASN H H 51 7.945 7.871 0.074 1
1 581 . 5 1 1 A 51 51 ASN HA H 51 4.304 4.297 0.007 1
1 586 . 5 1 1 A 51 51 ASN C C 51 175.195 173.985 1.210 1
1 587 . 5 1 1 A 51 51 ASN CA C 51 54.089 54.335 -0.246 1
1 588 . 5 1 1 A 51 51 ASN CB C 51 36.504 36.909 -0.405 1
1 589 . 5 1 1 A 51 51 ASN N N 51 115.331 114.917 0.414 1
1 591 . 5 1 1 A 52 52 LEU H H 52 8.803 7.854 0.949 1
1 592 . 5 1 1 A 52 52 LEU HA H 52 3.412 4.115 -0.703 1
1 602 . 5 1 1 A 52 52 LEU C C 52 174.674 174.881 -0.207 1
1 603 . 5 1 1 A 52 52 LEU CA C 52 53.983 54.226 -0.243 1
1 604 . 5 1 1 A 52 52 LEU CB C 52 42.471 41.183 1.288 1
1 608 . 5 1 1 A 52 52 LEU N N 52 121.765 121.060 0.705 1
1 609 . 5 1 1 A 53 53 LYS H H 53 7.099 8.509 -1.410 1
1 610 . 5 1 1 A 53 53 LYS HA H 53 4.324 4.841 -0.517 1
1 619 . 5 1 1 A 53 53 LYS C C 53 173.460 176.828 -3.368 1
1 620 . 5 1 1 A 53 53 LYS CA C 53 54.843 54.522 0.321 1
1 621 . 5 1 1 A 53 53 LYS CB C 53 36.395 35.433 0.962 1
1 625 . 5 1 1 A 53 53 LYS N N 53 124.403 125.819 -1.416 1
1 626 . 5 1 1 A 54 54 LYS H H 54 8.805 9.089 -0.284 1
1 627 . 5 1 1 A 54 54 LYS HA H 54 3.692 3.999 -0.307 1
1 636 . 5 1 1 A 54 54 LYS C C 54 173.344 176.297 -2.953 1
1 637 . 5 1 1 A 54 54 LYS CA C 54 56.366 58.326 -1.960 1
1 638 . 5 1 1 A 54 54 LYS CB C 54 29.830 31.138 -1.308 1
1 642 . 5 1 1 A 54 54 LYS N N 54 118.125 117.445 0.680 1
1 643 . 5 1 1 A 55 55 ASN H H 55 7.567 8.281 -0.714 1
1 644 . 5 1 1 A 55 55 ASN HA H 55 4.643 4.607 0.036 1
1 649 . 5 1 1 A 55 55 ASN C C 55 172.188 174.813 -2.625 1
1 650 . 5 1 1 A 55 55 ASN CA C 55 51.091 51.741 -0.650 1
1 651 . 5 1 1 A 55 55 ASN CB C 55 37.234 38.722 -1.488 1
1 652 . 5 1 1 A 55 55 ASN N N 55 123.893 122.156 1.737 1
1 654 . 5 1 1 A 56 56 TYR H H 56 7.584 7.572 0.012 1
1 655 . 5 1 1 A 56 56 TYR HA H 56 4.892 5.215 -0.323 1
1 662 . 5 1 1 A 56 56 TYR C C 56 177.276 176.234 1.042 1
1 663 . 5 1 1 A 56 56 TYR CA C 56 54.447 57.959 -3.512 1
1 664 . 5 1 1 A 56 56 TYR CB C 56 38.633 39.600 -0.967 1
1 669 . 5 1 1 A 56 56 TYR N N 56 115.237 119.712 -4.475 1
1 670 . 5 1 1 A 57 57 CYS H H 57 9.149 8.836 0.313 1
1 671 . 5 1 1 A 57 57 CYS HA H 57 4.398 5.052 -0.654 1
1 674 . 5 1 1 A 57 57 CYS C C 57 175.600 174.401 1.199 1
1 675 . 5 1 1 A 57 57 CYS CA C 57 59.824 56.300 3.524 1
1 676 . 5 1 1 A 57 57 CYS CB C 57 48.356 42.439 5.917 1
1 677 . 5 1 1 A 57 57 CYS N N 57 119.273 122.036 -2.763 1
1 678 . 5 1 1 A 58 58 ARG H H 58 9.138 8.560 0.578 1
1 679 . 5 1 1 A 58 58 ARG HA H 58 4.918 5.084 -0.166 1
1 687 . 5 1 1 A 58 58 ARG C C 58 173.576 174.371 -0.795 1
1 688 . 5 1 1 A 58 58 ARG CA C 58 53.187 54.224 -1.037 1
1 689 . 5 1 1 A 58 58 ARG CB C 58 29.412 34.368 -4.956 1
1 692 . 5 1 1 A 58 58 ARG N N 58 122.881 125.225 -2.344 1
1 694 . 5 1 1 A 59 59 ASN H H 59 8.868 8.573 0.295 1
1 695 . 5 1 1 A 59 59 ASN HA H 59 5.513 5.158 0.355 1
1 700 . 5 1 1 A 59 59 ASN C C 59 172.824 174.407 -1.583 1
1 701 . 5 1 1 A 59 59 ASN CA C 59 53.176 50.133 3.043 1
1 702 . 5 1 1 A 59 59 ASN CB C 59 37.237 39.360 -2.123 1
1 703 . 5 1 1 A 59 59 ASN N N 59 113.603 119.170 -5.567 1
1 705 . 5 1 1 A 60 60 PRO HA H 60 4.712 4.340 0.372 1
1 712 . 5 1 1 A 60 60 PRO C C 60 175.715 177.764 -2.049 1
1 713 . 5 1 1 A 60 60 PRO CA C 60 63.643 64.544 -0.901 1
1 714 . 5 1 1 A 60 60 PRO CB C 60 32.507 31.602 0.905 1
1 717 . 5 1 1 A 61 61 ASP H H 61 8.883 8.072 0.811 1
1 718 . 5 1 1 A 61 61 ASP HA H 61 4.495 4.442 0.053 1
1 721 . 5 1 1 A 61 61 ASP C C 61 174.848 175.591 -0.743 1
1 722 . 5 1 1 A 61 61 ASP CA C 61 51.953 56.656 -4.703 1
1 723 . 5 1 1 A 61 61 ASP CB C 61 42.092 41.005 1.087 1
1 724 . 5 1 1 A 61 61 ASP N N 61 118.660 117.628 1.032 1
1 725 . 5 1 1 A 62 62 ARG H H 62 8.395 7.519 0.876 1
1 726 . 5 1 1 A 62 62 ARG HA H 62 3.789 3.988 -0.199 1
1 734 . 5 1 1 A 62 62 ARG C C 62 176.236 174.799 1.437 1
1 735 . 5 1 1 A 62 62 ARG CA C 62 57.318 57.352 -0.034 1
1 736 . 5 1 1 A 62 62 ARG CB C 62 26.990 27.230 -0.240 1
1 739 . 5 1 1 A 62 62 ARG N N 62 116.013 116.213 -0.200 1
1 741 . 5 1 1 A 63 63 ASP H H 63 9.735 7.751 1.984 1
1 742 . 5 1 1 A 63 63 ASP HA H 63 4.769 4.530 0.239 1
1 745 . 5 1 1 A 63 63 ASP C C 63 177.334 177.025 0.309 1
1 746 . 5 1 1 A 63 63 ASP CA C 63 51.973 54.157 -2.184 1
1 747 . 5 1 1 A 63 63 ASP CB C 63 42.698 42.507 0.191 1
1 748 . 5 1 1 A 63 63 ASP N N 63 121.799 119.498 2.301 1
1 749 . 5 1 1 A 64 64 LEU H H 64 10.919 8.681 2.238 1
1 750 . 5 1 1 A 64 64 LEU HA H 64 3.995 4.182 -0.187 1
1 760 . 5 1 1 A 64 64 LEU C C 64 176.467 176.695 -0.228 1
1 761 . 5 1 1 A 64 64 LEU CA C 64 57.772 56.734 1.038 1
1 762 . 5 1 1 A 64 64 LEU CB C 64 43.630 42.884 0.746 1
1 766 . 5 1 1 A 64 64 LEU N N 64 121.789 123.581 -1.792 1
1 767 . 5 1 1 A 65 65 ARG H H 65 7.633 7.912 -0.279 1
1 768 . 5 1 1 A 65 65 ARG HA H 65 5.006 4.741 0.265 1
1 776 . 5 1 1 A 65 65 ARG C C 65 172.130 173.653 -1.523 1
1 777 . 5 1 1 A 65 65 ARG CA C 65 53.368 53.772 -0.404 1
1 778 . 5 1 1 A 65 65 ARG CB C 65 28.429 33.669 -5.240 1
1 781 . 5 1 1 A 65 65 ARG N N 65 108.790 117.465 -8.675 1
1 783 . 5 1 1 A 66 66 PRO HA H 66 4.281 4.764 -0.483 1
1 790 . 5 1 1 A 66 66 PRO C C 66 172.940 176.408 -3.468 1
1 791 . 5 1 1 A 66 66 PRO CA C 66 63.677 63.212 0.465 1
1 792 . 5 1 1 A 66 66 PRO CB C 66 32.592 32.656 -0.064 1
1 795 . 5 1 1 A 67 67 TRP H H 67 8.716 8.541 0.175 1
1 796 . 5 1 1 A 67 67 TRP HA H 67 5.406 5.307 0.099 1
1 805 . 5 1 1 A 67 67 TRP C C 67 172.919 173.707 -0.788 1
1 806 . 5 1 1 A 67 67 TRP CA C 67 56.035 55.202 0.833 1
1 807 . 5 1 1 A 67 67 TRP CB C 67 34.026 31.913 2.113 1
1 813 . 5 1 1 A 67 67 TRP N N 67 121.250 118.775 2.475 1
1 815 . 5 1 1 A 68 68 CYS H H 68 8.384 9.019 -0.635 1
1 816 . 5 1 1 A 68 68 CYS HA H 68 4.265 4.508 -0.243 1
1 819 . 5 1 1 A 68 68 CYS C C 68 175.079 172.669 2.410 1
1 820 . 5 1 1 A 68 68 CYS CA C 68 55.876 55.303 0.573 1
1 821 . 5 1 1 A 68 68 CYS CB C 68 42.232 45.814 -3.582 1
1 822 . 5 1 1 A 68 68 CYS N N 68 109.624 117.466 -7.842 1
1 823 . 5 1 1 A 69 69 PHE H H 69 8.031 8.164 -0.133 1
1 824 . 5 1 1 A 69 69 PHE HA H 69 5.420 4.880 0.540 1
1 832 . 5 1 1 A 69 69 PHE C C 69 176.814 175.486 1.328 1
1 833 . 5 1 1 A 69 69 PHE CA C 69 59.299 57.752 1.547 1
1 834 . 5 1 1 A 69 69 PHE CB C 69 38.411 39.515 -1.104 1
1 840 . 5 1 1 A 69 69 PHE N N 69 120.433 121.278 -0.845 1
1 841 . 5 1 1 A 70 70 THR H H 70 8.002 8.687 -0.685 1
1 842 . 5 1 1 A 70 70 THR HA H 70 5.408 4.400 1.008 1
1 848 . 5 1 1 A 70 70 THR C C 70 173.518 176.241 -2.723 1
1 849 . 5 1 1 A 70 70 THR CA C 70 61.208 61.576 -0.368 1
1 850 . 5 1 1 A 70 70 THR CB C 70 70.441 70.494 -0.053 1
1 852 . 5 1 1 A 70 70 THR N N 70 112.351 118.902 -6.551 1
1 853 . 5 1 1 A 71 71 THR H H 71 8.126 8.521 -0.395 1
1 854 . 5 1 1 A 71 71 THR HA H 71 4.037 4.334 -0.297 1
1 860 . 5 1 1 A 71 71 THR C C 71 174.903 174.377 0.526 1
1 861 . 5 1 1 A 71 71 THR CA C 71 62.413 63.086 -0.673 1
1 862 . 5 1 1 A 71 71 THR CB C 71 69.167 69.177 -0.010 1
1 864 . 5 1 1 A 71 71 THR N N 71 104.863 115.508 -10.645 1
1 865 . 5 1 1 A 72 72 ASP H H 72 9.024 7.909 1.115 1
1 866 . 5 1 1 A 72 72 ASP HA H 72 4.936 4.886 0.050 1
1 869 . 5 1 1 A 72 72 ASP C C 72 176.929 175.934 0.995 1
1 870 . 5 1 1 A 72 72 ASP CA C 72 51.333 52.030 -0.697 1
1 871 . 5 1 1 A 72 72 ASP CB C 72 43.416 43.091 0.325 1
1 872 . 5 1 1 A 72 72 ASP N N 72 126.242 123.958 2.284 1
1 873 . 5 1 1 A 73 73 PRO HA H 73 3.962 4.314 -0.352 1
1 880 . 5 1 1 A 73 73 PRO C C 73 177.045 177.923 -0.878 1
1 881 . 5 1 1 A 73 73 PRO CA C 73 64.632 64.355 0.277 1
1 882 . 5 1 1 A 73 73 PRO CB C 73 32.460 31.835 0.625 1
1 885 . 5 1 1 A 74 74 ASN H H 74 8.943 8.292 0.651 1
1 886 . 5 1 1 A 74 74 ASN HA H 74 4.854 4.639 0.215 1
1 891 . 5 1 1 A 74 74 ASN C C 74 174.443 175.693 -1.250 1
1 892 . 5 1 1 A 74 74 ASN CA C 74 53.380 55.769 -2.389 1
1 893 . 5 1 1 A 74 74 ASN CB C 74 39.333 39.338 -0.005 1
1 894 . 5 1 1 A 74 74 ASN N N 74 114.144 115.110 -0.966 1
1 896 . 5 1 1 A 75 75 LYS H H 75 7.795 7.594 0.201 1
1 897 . 5 1 1 A 75 75 LYS HA H 75 4.571 4.306 0.265 1
1 906 . 5 1 1 A 75 75 LYS C C 75 173.402 176.046 -2.644 1
1 907 . 5 1 1 A 75 75 LYS CA C 75 54.154 56.193 -2.039 1
1 908 . 5 1 1 A 75 75 LYS CB C 75 32.186 33.560 -1.374 1
1 912 . 5 1 1 A 75 75 LYS N N 75 122.835 118.840 3.995 1
1 913 . 5 1 1 A 76 76 ARG H H 76 9.132 8.901 0.231 1
1 914 . 5 1 1 A 76 76 ARG HA H 76 4.555 4.127 0.428 1
1 922 . 5 1 1 A 76 76 ARG C C 76 175.137 175.885 -0.748 1
1 923 . 5 1 1 A 76 76 ARG CA C 76 60.532 57.781 2.751 1
1 924 . 5 1 1 A 76 76 ARG CB C 76 29.307 31.333 -2.026 1
1 927 . 5 1 1 A 76 76 ARG N N 76 129.676 127.666 2.010 1
1 929 . 5 1 1 A 77 77 TRP H H 77 7.559 7.472 0.087 1
1 930 . 5 1 1 A 77 77 TRP HA H 77 5.357 5.224 0.133 1
1 939 . 5 1 1 A 77 77 TRP C C 77 172.940 173.958 -1.018 1
1 940 . 5 1 1 A 77 77 TRP CA C 77 55.044 55.363 -0.319 1
1 941 . 5 1 1 A 77 77 TRP CB C 77 31.951 32.772 -0.821 1
1 947 . 5 1 1 A 77 77 TRP N N 77 109.174 114.223 -5.049 1
1 949 . 5 1 1 A 78 78 GLU H H 78 8.638 8.838 -0.200 1
1 950 . 5 1 1 A 78 78 GLU HA H 78 3.671 4.483 -0.812 1
1 955 . 5 1 1 A 78 78 GLU C C 78 174.501 174.838 -0.337 1
1 956 . 5 1 1 A 78 78 GLU CA C 78 55.659 55.555 0.104 1
1 957 . 5 1 1 A 78 78 GLU CB C 78 34.557 34.215 0.342 1
1 959 . 5 1 1 A 78 78 GLU N N 78 118.907 119.829 -0.922 1
1 960 . 5 1 1 A 79 79 TYR H H 79 7.636 8.734 -1.098 1
1 961 . 5 1 1 A 79 79 TYR HA H 79 4.995 4.918 0.077 1
1 968 . 5 1 1 A 79 79 TYR C C 79 175.889 175.841 0.048 1
1 969 . 5 1 1 A 79 79 TYR CA C 79 60.120 59.271 0.849 1
1 970 . 5 1 1 A 79 79 TYR CB C 79 39.789 38.914 0.875 1
1 975 . 5 1 1 A 79 79 TYR N N 79 119.277 122.473 -3.196 1
1 976 . 5 1 1 A 80 80 CYS H H 80 9.398 8.850 0.548 1
1 977 . 5 1 1 A 80 80 CYS HA H 80 4.720 5.391 -0.671 1
1 980 . 5 1 1 A 80 80 CYS C C 80 172.419 171.907 0.512 1
1 981 . 5 1 1 A 80 80 CYS CA C 80 54.618 54.780 -0.162 1
1 982 . 5 1 1 A 80 80 CYS CB C 80 46.736 45.511 1.225 1
1 983 . 5 1 1 A 80 80 CYS N N 80 118.623 121.304 -2.681 1
1 984 . 5 1 1 A 81 81 ASP H H 81 9.729 8.905 0.824 1
1 985 . 5 1 1 A 81 81 ASP HA H 81 4.781 4.819 -0.038 1
1 988 . 5 1 1 A 81 81 ASP C C 81 173.576 174.655 -1.079 1
1 989 . 5 1 1 A 81 81 ASP CA C 81 52.855 53.016 -0.161 1
1 990 . 5 1 1 A 81 81 ASP CB C 81 40.733 40.691 0.042 1
1 991 . 5 1 1 A 81 81 ASP N N 81 124.777 126.166 -1.389 1
1 992 . 5 1 1 A 82 82 ILE H H 82 7.820 8.178 -0.358 1
1 993 . 5 1 1 A 82 82 ILE HA H 82 4.320 4.446 -0.126 1
1 1003 . 5 1 1 A 82 82 ILE C C 82 173.923 174.445 -0.522 1
1 1004 . 5 1 1 A 82 82 ILE CA C 82 56.118 57.940 -1.822 1
1 1005 . 5 1 1 A 82 82 ILE CB C 82 38.166 38.025 0.141 1
1 1009 . 5 1 1 A 82 82 ILE N N 82 125.281 126.539 -1.258 1
1 1010 . 5 1 1 A 83 83 PRO HA H 83 4.337 4.422 -0.085 1
1 1017 . 5 1 1 A 83 83 PRO C C 83 175.167 176.057 -0.890 1
1 1018 . 5 1 1 A 83 83 PRO CA C 83 62.844 63.317 -0.473 1
1 1019 . 5 1 1 A 83 83 PRO CB C 83 32.450 32.141 0.309 1
1 1022 . 5 1 1 A 84 84 ARG H H 84 8.656 8.420 0.236 1
1 1023 . 5 1 1 A 84 84 ARG HA H 84 4.658 5.383 -0.725 1
1 1031 . 5 1 1 A 84 84 ARG C C 84 175.137 175.284 -0.147 1
1 1032 . 5 1 1 A 84 84 ARG CA C 84 55.617 54.734 0.883 1
1 1033 . 5 1 1 A 84 84 ARG CB C 84 30.482 31.754 -1.272 1
1 1036 . 5 1 1 A 84 84 ARG N N 84 122.316 122.365 -0.049 1
1 1038 . 5 1 1 A 85 85 CYS H H 85 8.783 8.868 -0.085 1
1 1039 . 5 1 1 A 85 85 CYS HA H 85 4.479 5.190 -0.711 1
1 1042 . 5 1 1 A 85 85 CYS C C 85 174.906 172.155 2.751 1
1 1043 . 5 1 1 A 85 85 CYS CA C 85 54.177 54.748 -0.571 1
1 1044 . 5 1 1 A 85 85 CYS CB C 85 39.574 47.835 -8.261 1
1 1045 . 5 1 1 A 85 85 CYS N N 85 124.002 121.155 2.847 1
1 1046 . 5 1 1 A 86 86 ALA H H 86 8.746 8.369 0.377 1
1 1047 . 5 1 1 A 86 86 ALA HA H 86 4.255 4.449 -0.194 1
1 1051 . 5 1 1 A 86 86 ALA C C 86 176.236 176.638 -0.402 1
1 1052 . 5 1 1 A 86 86 ALA CA C 86 53.067 51.835 1.232 1
1 1053 . 5 1 1 A 86 86 ALA CB C 86 19.034 17.657 1.377 1
1 1054 . 5 1 1 A 86 86 ALA N N 86 126.444 124.882 1.562 1
1 1064 . 5 2 2 B 2 2 SER HA H 100 4.570 4.336 0.234 1
1 1067 . 5 2 2 B 2 2 SER C C 100 174.779 175.494 -0.715 1
1 1068 . 5 2 2 B 2 2 SER CA C 100 58.624 61.508 -2.884 1
1 1069 . 5 2 2 B 2 2 SER CB C 100 63.939 62.749 1.190 1
1 1070 . 5 2 2 B 3 3 VAL H H 101 8.341 7.742 0.599 1
1 1071 . 5 2 2 B 3 3 VAL HA H 101 4.151 4.121 0.030 1
1 1079 . 5 2 2 B 3 3 VAL C C 101 176.450 177.007 -0.557 1
1 1080 . 5 2 2 B 3 3 VAL CA C 101 62.793 61.213 1.580 1
1 1081 . 5 2 2 B 3 3 VAL CB C 101 32.495 31.515 0.980 1
1 1084 . 5 2 2 B 3 3 VAL N N 101 121.954 119.051 2.903 1
1 1085 . 5 2 2 B 4 4 GLU H H 102 8.521 8.070 0.451 1
1 1086 . 5 2 2 B 4 4 GLU HA H 102 4.291 4.009 0.282 1
1 1091 . 5 2 2 B 4 4 GLU C C 102 176.450 176.196 0.254 1
1 1092 . 5 2 2 B 4 4 GLU CA C 102 56.955 59.240 -2.285 1
1 1093 . 5 2 2 B 4 4 GLU CB C 102 30.233 30.287 -0.054 1
1 1095 . 5 2 2 B 4 4 GLU N N 102 124.722 122.621 2.101 1
1 1096 . 5 2 2 B 5 5 LYS H H 103 8.323 7.709 0.614 1
1 1097 . 5 2 2 B 5 5 LYS HA H 103 4.313 4.403 -0.090 1
1 1106 . 5 2 2 B 5 5 LYS C C 103 176.784 176.488 0.296 1
1 1107 . 5 2 2 B 5 5 LYS CA C 103 56.688 56.910 -0.222 1
1 1108 . 5 2 2 B 5 5 LYS CB C 103 30.228 35.419 -5.191 1
1 1112 . 5 2 2 B 5 5 LYS N N 103 122.689 119.647 3.042 1
1 1113 . 5 2 2 B 6 6 LEU H H 104 8.369 8.087 0.282 1
1 1114 . 5 2 2 B 6 6 LEU HA H 104 4.500 4.072 0.428 1
1 1124 . 5 2 2 B 6 6 LEU C C 104 177.632 175.196 2.436 1
1 1125 . 5 2 2 B 6 6 LEU CA C 104 55.480 55.728 -0.248 1
1 1126 . 5 2 2 B 6 6 LEU CB C 104 42.587 40.288 2.299 1
1 1130 . 5 2 2 B 6 6 LEU N N 104 123.373 118.107 5.266 1
1 1131 . 5 2 2 B 7 7 THR HA H 105 4.558 4.659 -0.101 1
1 1137 . 5 2 2 B 7 7 THR C C 105 175.614 173.767 1.847 1
1 1138 . 5 2 2 B 7 7 THR CA C 105 62.000 61.099 0.901 1
1 1139 . 5 2 2 B 7 7 THR CB C 105 70.090 70.856 -0.766 1
1 1141 . 5 2 2 B 8 8 ALA H H 106 8.649 8.952 -0.303 1
1 1142 . 5 2 2 B 8 8 ALA HA H 106 4.458 4.024 0.434 1
1 1146 . 5 2 2 B 8 8 ALA C C 106 179.290 179.433 -0.143 1
1 1147 . 5 2 2 B 8 8 ALA CA C 106 55.552 55.264 0.288 1
1 1148 . 5 2 2 B 8 8 ALA CB C 106 18.704 18.229 0.475 1
1 1149 . 5 2 2 B 8 8 ALA N N 106 124.857 128.804 -3.947 1
1 1150 . 5 2 2 B 9 9 ASP H H 107 8.286 7.745 0.541 1
1 1151 . 5 2 2 B 9 9 ASP HA H 107 4.457 4.430 0.027 1
1 1154 . 5 2 2 B 9 9 ASP C C 107 178.845 178.260 0.585 1
1 1155 . 5 2 2 B 9 9 ASP CA C 107 57.733 56.720 1.013 1
1 1156 . 5 2 2 B 9 9 ASP CB C 107 40.881 40.552 0.329 1
1 1157 . 5 2 2 B 9 9 ASP N N 107 115.621 119.723 -4.102 1
1 1158 . 5 2 2 B 10 10 ALA H H 108 7.887 7.823 0.064 1
1 1159 . 5 2 2 B 10 10 ALA HA H 108 4.182 4.141 0.041 1
1 1163 . 5 2 2 B 10 10 ALA C C 108 180.906 179.471 1.435 1
1 1164 . 5 2 2 B 10 10 ALA CA C 108 55.014 55.082 -0.068 1
1 1165 . 5 2 2 B 10 10 ALA CB C 108 18.631 18.195 0.436 1
1 1166 . 5 2 2 B 10 10 ALA N N 108 122.756 122.764 -0.008 1
1 1167 . 5 2 2 B 11 11 GLU H H 109 8.390 7.892 0.498 1
1 1168 . 5 2 2 B 11 11 GLU HA H 109 4.256 4.062 0.194 1
1 1173 . 5 2 2 B 11 11 GLU C C 109 178.678 179.091 -0.413 1
1 1174 . 5 2 2 B 11 11 GLU CA C 109 59.105 59.311 -0.206 1
1 1175 . 5 2 2 B 11 11 GLU CB C 109 29.559 29.410 0.149 1
1 1177 . 5 2 2 B 11 11 GLU N N 109 121.999 118.892 3.107 1
1 1178 . 5 2 2 B 12 12 LEU H H 110 8.395 8.420 -0.025 1
1 1179 . 5 2 2 B 12 12 LEU HA H 110 3.808 3.935 -0.127 1
1 1189 . 5 2 2 B 12 12 LEU C C 110 178.288 179.138 -0.850 1
1 1190 . 5 2 2 B 12 12 LEU CA C 110 58.407 57.764 0.643 1
1 1191 . 5 2 2 B 12 12 LEU CB C 110 41.329 41.620 -0.291 1
1 1195 . 5 2 2 B 12 12 LEU N N 110 119.939 120.053 -0.114 1
1 1196 . 5 2 2 B 13 13 GLN H H 111 7.761 8.296 -0.535 1
1 1197 . 5 2 2 B 13 13 GLN HA H 111 4.008 3.889 0.119 1
1 1202 . 5 2 2 B 13 13 GLN C C 111 177.954 178.206 -0.252 1
1 1203 . 5 2 2 B 13 13 GLN CA C 111 58.674 59.247 -0.573 1
1 1204 . 5 2 2 B 13 13 GLN CB C 111 28.513 28.257 0.256 1
1 1206 . 5 2 2 B 13 13 GLN N N 111 117.305 118.392 -1.087 1
1 1207 . 5 2 2 B 14 14 ARG H H 112 7.752 8.216 -0.464 1
1 1208 . 5 2 2 B 14 14 ARG HA H 112 4.053 4.137 -0.084 1
1 1216 . 5 2 2 B 14 14 ARG C C 112 179.625 178.429 1.196 1
1 1217 . 5 2 2 B 14 14 ARG CA C 112 59.770 58.513 1.257 1
1 1218 . 5 2 2 B 14 14 ARG CB C 112 29.884 29.944 -0.060 1
1 1221 . 5 2 2 B 14 14 ARG N N 112 121.241 120.148 1.093 1
1 1223 . 5 2 2 B 15 15 LEU H H 113 8.478 8.735 -0.257 1
1 1224 . 5 2 2 B 15 15 LEU HA H 113 3.974 4.019 -0.045 1
1 1234 . 5 2 2 B 15 15 LEU C C 113 180.627 178.831 1.796 1
1 1235 . 5 2 2 B 15 15 LEU CA C 113 58.251 57.897 0.354 1
1 1236 . 5 2 2 B 15 15 LEU CB C 113 41.751 41.430 0.321 1
1 1240 . 5 2 2 B 15 15 LEU N N 113 120.898 119.594 1.304 1
1 1241 . 5 2 2 B 16 16 LYS H H 114 8.437 8.250 0.187 1
1 1242 . 5 2 2 B 16 16 LYS HA H 114 3.368 4.005 -0.637 1
1 1251 . 5 2 2 B 16 16 LYS C C 114 178.288 178.766 -0.478 1
1 1252 . 5 2 2 B 16 16 LYS CA C 114 60.242 59.934 0.308 1
1 1253 . 5 2 2 B 16 16 LYS CB C 114 30.249 32.350 -2.101 1
1 1257 . 5 2 2 B 16 16 LYS N N 114 123.214 120.264 2.950 1
1 1258 . 5 2 2 B 17 17 ASN H H 115 8.137 8.617 -0.480 1
1 1259 . 5 2 2 B 17 17 ASN HA H 115 4.270 4.368 -0.098 1
1 1264 . 5 2 2 B 17 17 ASN C C 115 178.288 177.897 0.391 1
1 1265 . 5 2 2 B 17 17 ASN CA C 115 56.318 56.443 -0.125 1
1 1266 . 5 2 2 B 17 17 ASN CB C 115 37.573 37.952 -0.379 1
1 1267 . 5 2 2 B 17 17 ASN N N 115 117.923 117.612 0.311 1
1 1269 . 5 2 2 B 18 18 GLU H H 116 8.110 8.767 -0.657 1
1 1270 . 5 2 2 B 18 18 GLU HA H 116 4.146 4.029 0.117 1
1 1275 . 5 2 2 B 18 18 GLU C C 116 178.956 178.886 0.070 1
1 1276 . 5 2 2 B 18 18 GLU CA C 116 59.659 59.661 -0.002 1
1 1277 . 5 2 2 B 18 18 GLU CB C 116 29.950 29.267 0.683 1
1 1279 . 5 2 2 B 18 18 GLU N N 116 120.249 119.666 0.583 1
1 1280 . 5 2 2 B 19 19 ARG H H 117 7.925 8.249 -0.324 1
1 1281 . 5 2 2 B 19 19 ARG HA H 117 4.057 4.148 -0.091 1
1 1289 . 5 2 2 B 19 19 ARG C C 117 180.070 179.248 0.822 1
1 1290 . 5 2 2 B 19 19 ARG CA C 117 59.564 59.448 0.116 1
1 1291 . 5 2 2 B 19 19 ARG CB C 117 29.879 29.950 -0.071 1
1 1294 . 5 2 2 B 19 19 ARG N N 117 119.801 118.715 1.086 1
1 1296 . 5 2 2 B 20 20 HIS H H 118 8.316 8.162 0.154 1
1 1297 . 5 2 2 B 20 20 HIS HA H 118 4.574 4.333 0.241 1
1 1304 . 5 2 2 B 20 20 HIS C C 118 176.784 177.867 -1.083 1
1 1305 . 5 2 2 B 20 20 HIS CA C 118 58.397 59.546 -1.149 1
1 1306 . 5 2 2 B 20 20 HIS CB C 118 29.343 29.909 -0.566 1
1 1309 . 5 2 2 B 20 20 HIS N N 118 117.802 118.872 -1.070 1
1 1310 . 5 2 2 B 21 21 GLU H H 119 8.400 8.748 -0.348 1
1 1311 . 5 2 2 B 21 21 GLU HA H 119 4.268 3.915 0.353 1
1 1316 . 5 2 2 B 21 21 GLU C C 119 178.566 179.294 -0.728 1
1 1317 . 5 2 2 B 21 21 GLU CA C 119 59.105 59.797 -0.692 1
1 1318 . 5 2 2 B 21 21 GLU CB C 119 29.559 29.495 0.064 1
1 1320 . 5 2 2 B 21 21 GLU N N 119 121.996 119.296 2.700 1
1 1321 . 5 2 2 B 22 22 GLU H H 120 8.285 8.906 -0.621 1
1 1322 . 5 2 2 B 22 22 GLU HA H 120 4.204 4.050 0.154 1
1 1327 . 5 2 2 B 22 22 GLU C C 120 178.288 179.017 -0.729 1
1 1328 . 5 2 2 B 22 22 GLU CA C 120 58.841 59.205 -0.364 1
1 1329 . 5 2 2 B 22 22 GLU CB C 120 29.322 29.315 0.007 1
1 1331 . 5 2 2 B 22 22 GLU N N 120 119.798 120.615 -0.817 1
1 1332 . 5 2 2 B 23 23 ALA H H 121 8.037 8.493 -0.456 1
1 1333 . 5 2 2 B 23 23 ALA HA H 121 4.270 4.059 0.211 1
1 1337 . 5 2 2 B 23 23 ALA C C 121 179.569 179.869 -0.300 1
1 1338 . 5 2 2 B 23 23 ALA CA C 121 54.158 55.288 -1.130 1
1 1339 . 5 2 2 B 23 23 ALA CB C 121 18.923 18.244 0.679 1
1 1340 . 5 2 2 B 23 23 ALA N N 121 122.418 122.693 -0.275 1
1 1341 . 5 2 2 B 24 24 GLU H H 122 8.039 7.871 0.168 1
1 1342 . 5 2 2 B 24 24 GLU HA H 122 4.291 3.969 0.322 1
1 1347 . 5 2 2 B 24 24 GLU C C 122 177.954 179.679 -1.725 1
1 1348 . 5 2 2 B 24 24 GLU CA C 122 58.023 59.539 -1.516 1
1 1349 . 5 2 2 B 24 24 GLU CB C 122 29.566 29.889 -0.323 1
1 1351 . 5 2 2 B 24 24 GLU N N 122 119.517 118.761 0.756 1
1 1352 . 5 2 2 B 25 25 LEU H H 123 7.962 9.211 -1.249 1
1 1353 . 5 2 2 B 25 25 LEU HA H 123 4.226 3.985 0.241 1
1 1363 . 5 2 2 B 25 25 LEU C C 123 179.123 178.963 0.160 1
1 1364 . 5 2 2 B 25 25 LEU CA C 123 57.213 58.097 -0.884 1
1 1365 . 5 2 2 B 25 25 LEU CB C 123 41.809 41.485 0.324 1
1 1369 . 5 2 2 B 25 25 LEU N N 123 120.617 120.570 0.047 1
1 1370 . 5 2 2 B 26 26 GLU H H 124 8.093 8.428 -0.335 1
1 1371 . 5 2 2 B 26 26 GLU HA H 124 4.140 3.930 0.210 1
1 1376 . 5 2 2 B 26 26 GLU C C 124 177.954 178.529 -0.575 1
1 1377 . 5 2 2 B 26 26 GLU CA C 124 58.095 59.019 -0.924 1
1 1378 . 5 2 2 B 26 26 GLU CB C 124 29.910 28.702 1.208 1
1 1380 . 5 2 2 B 26 26 GLU N N 124 119.473 119.523 -0.050 1
1 1381 . 5 2 2 B 27 27 ARG H H 125 7.954 7.944 0.010 1
1 1382 . 5 2 2 B 27 27 ARG HA H 125 4.210 4.154 0.056 1
1 1390 . 5 2 2 B 27 27 ARG C C 125 177.619 178.581 -0.962 1
1 1391 . 5 2 2 B 27 27 ARG CA C 125 57.677 58.817 -1.140 1
1 1392 . 5 2 2 B 27 27 ARG CB C 125 30.374 30.036 0.338 1
1 1395 . 5 2 2 B 27 27 ARG N N 125 120.670 120.262 0.408 1
1 1397 . 5 2 2 B 28 28 LEU H H 126 8.038 8.515 -0.477 1
1 1398 . 5 2 2 B 28 28 LEU HA H 126 4.270 4.073 0.197 1
1 1408 . 5 2 2 B 28 28 LEU C C 126 178.065 178.286 -0.221 1
1 1409 . 5 2 2 B 28 28 LEU CA C 126 56.096 57.796 -1.700 1
1 1410 . 5 2 2 B 28 28 LEU CB C 126 42.252 41.733 0.519 1
1 1414 . 5 2 2 B 28 28 LEU N N 126 120.818 121.181 -0.363 1
1 1415 . 5 2 2 B 29 29 LYS H H 127 7.944 8.156 -0.212 1
1 1416 . 5 2 2 B 29 29 LYS HA H 127 4.270 4.135 0.135 1
1 1425 . 5 2 2 B 29 29 LYS C C 127 176.951 176.180 0.771 1
1 1426 . 5 2 2 B 29 29 LYS CA C 127 57.168 58.580 -1.412 1
1 1427 . 5 2 2 B 29 29 LYS CB C 127 32.755 33.140 -0.385 1
1 1431 . 5 2 2 B 29 29 LYS N N 127 119.960 119.468 0.492 1
1 1432 . 5 2 2 B 30 30 SER H H 128 8.030 7.916 0.114 1
1 1433 . 5 2 2 B 30 30 SER HA H 128 4.466 4.320 0.146 1
1 1436 . 5 2 2 B 30 30 SER C C 128 176.101 174.179 1.922 1
1 1437 . 5 2 2 B 30 30 SER CA C 128 58.590 59.691 -1.101 1
1 1438 . 5 2 2 B 30 30 SER CB C 128 63.939 60.627 3.312 1
1 1439 . 5 2 2 B 30 30 SER N N 128 115.496 113.420 2.076 1
1 1440 . 5 2 2 B 31 31 GLU H H 129 8.157 7.973 0.184 1
1 1441 . 5 2 2 B 31 31 GLU HA H 129 4.291 4.320 -0.029 1
1 1446 . 5 2 2 B 31 31 GLU C C 129 175.112 176.231 -1.119 1
1 1447 . 5 2 2 B 31 31 GLU CA C 129 56.654 57.659 -1.005 1
1 1448 . 5 2 2 B 31 31 GLU CB C 129 30.389 30.459 -0.070 1
1 1450 . 5 2 2 B 31 31 GLU N N 129 122.569 118.485 4.084 1
1 1 . 6 1 1 A 2 2 VAL H H 2 7.944 8.204 -0.260 1
1 2 . 6 1 1 A 2 2 VAL HA H 2 4.035 3.409 0.626 1
1 10 . 6 1 1 A 2 2 VAL C C 2 174.807 176.878 -2.071 1
1 11 . 6 1 1 A 2 2 VAL CA C 2 61.947 64.690 -2.743 1
1 12 . 6 1 1 A 2 2 VAL CB C 2 33.175 31.166 2.009 1
1 15 . 6 1 1 A 2 2 VAL N N 2 123.960 126.694 -2.734 1
1 16 . 6 1 1 A 3 3 GLU H H 3 8.465 9.464 -0.999 1
1 17 . 6 1 1 A 3 3 GLU HA H 3 4.168 3.845 0.323 1
1 22 . 6 1 1 A 3 3 GLU C C 3 175.888 175.023 0.865 1
1 23 . 6 1 1 A 3 3 GLU CA C 3 56.487 59.239 -2.752 1
1 24 . 6 1 1 A 3 3 GLU CB C 3 30.349 27.851 2.498 1
1 26 . 6 1 1 A 3 3 GLU N N 3 125.549 120.744 4.805 1
1 27 . 6 1 1 A 4 4 PHE H H 4 8.330 8.507 -0.177 1
1 28 . 6 1 1 A 4 4 PHE HA H 4 4.651 4.908 -0.257 1
1 36 . 6 1 1 A 4 4 PHE C C 4 175.550 174.965 0.585 1
1 37 . 6 1 1 A 4 4 PHE CA C 4 57.827 56.709 1.118 1
1 38 . 6 1 1 A 4 4 PHE CB C 4 39.623 41.313 -1.690 1
1 44 . 6 1 1 A 4 4 PHE N N 4 121.869 119.904 1.965 1
1 45 . 6 1 1 A 5 5 SER H H 5 8.177 8.735 -0.558 1
1 46 . 6 1 1 A 5 5 SER HA H 5 4.395 4.428 -0.033 1
1 49 . 6 1 1 A 5 5 SER C C 5 173.996 173.726 0.270 1
1 50 . 6 1 1 A 5 5 SER CA C 5 58.045 60.197 -2.152 1
1 51 . 6 1 1 A 5 5 SER CB C 5 64.050 63.199 0.851 1
1 52 . 6 1 1 A 5 5 SER N N 5 117.865 123.531 -5.666 1
1 53 . 6 1 1 A 6 6 GLU H H 6 8.425 7.421 1.004 1
1 54 . 6 1 1 A 6 6 GLU HA H 6 4.290 3.995 0.295 1
1 59 . 6 1 1 A 6 6 GLU C C 6 176.699 174.696 2.003 1
1 60 . 6 1 1 A 6 6 GLU CA C 6 56.479 55.747 0.732 1
1 61 . 6 1 1 A 6 6 GLU CB C 6 30.715 32.432 -1.717 1
1 63 . 6 1 1 A 6 6 GLU N N 6 122.791 115.800 6.991 1
1 64 . 6 1 1 A 7 7 GLU H H 7 8.421 8.806 -0.385 1
1 65 . 6 1 1 A 7 7 GLU HA H 7 4.742 3.952 0.790 1
1 70 . 6 1 1 A 7 7 GLU C C 7 175.145 175.288 -0.143 1
1 71 . 6 1 1 A 7 7 GLU CA C 7 55.617 59.003 -3.386 1
1 72 . 6 1 1 A 7 7 GLU CB C 7 29.095 27.108 1.987 1
1 74 . 6 1 1 A 7 7 GLU N N 7 122.775 119.794 2.981 1
1 75 . 6 1 1 A 8 8 CYS H H 8 7.917 8.243 -0.326 1
1 76 . 6 1 1 A 8 8 CYS HA H 8 4.969 5.007 -0.038 1
1 79 . 6 1 1 A 8 8 CYS C C 8 171.610 173.550 -1.940 1
1 80 . 6 1 1 A 8 8 CYS CA C 8 53.880 54.388 -0.508 1
1 81 . 6 1 1 A 8 8 CYS CB C 8 43.144 45.622 -2.478 1
1 82 . 6 1 1 A 8 8 CYS N N 8 115.067 116.878 -1.811 1
1 83 . 6 1 1 A 9 9 MET H H 9 9.379 9.347 0.032 1
1 84 . 6 1 1 A 9 9 MET HA H 9 5.049 5.337 -0.288 1
1 89 . 6 1 1 A 9 9 MET C C 9 174.038 177.180 -3.142 1
1 90 . 6 1 1 A 9 9 MET CA C 9 53.312 53.975 -0.663 1
1 91 . 6 1 1 A 9 9 MET CB C 9 36.165 34.433 1.732 1
1 93 . 6 1 1 A 9 9 MET N N 9 117.763 120.025 -2.262 1
1 94 . 6 1 1 A 10 10 HIS H H 10 9.610 9.391 0.219 1
1 95 . 6 1 1 A 10 10 HIS HA H 10 4.877 4.403 0.474 1
1 102 . 6 1 1 A 10 10 HIS C C 10 176.698 175.312 1.386 1
1 103 . 6 1 1 A 10 10 HIS CA C 10 55.016 59.281 -4.265 1
1 104 . 6 1 1 A 10 10 HIS CB C 10 31.116 31.012 0.104 1
1 107 . 6 1 1 A 10 10 HIS N N 10 124.293 120.865 3.428 1
1 108 . 6 1 1 A 11 11 GLY H H 11 9.249 7.688 1.561 1
1 109 . 6 1 1 A 11 11 GLY HA2 H 11 4.104 4.019 0.085 1
1 110 . 6 1 1 A 11 11 GLY HA3 H 11 3.843 4.039 -0.196 1
1 111 . 6 1 1 A 11 11 GLY C C 11 174.559 174.743 -0.184 1
1 112 . 6 1 1 A 11 11 GLY CA C 11 47.652 45.655 1.997 1
1 113 . 6 1 1 A 11 11 GLY N N 11 115.224 107.558 7.666 1
1 114 . 6 1 1 A 12 12 SER H H 12 8.999 8.892 0.107 1
1 115 . 6 1 1 A 12 12 SER HA H 12 4.653 4.373 0.280 1
1 118 . 6 1 1 A 12 12 SER C C 12 176.178 175.333 0.845 1
1 119 . 6 1 1 A 12 12 SER CA C 12 57.731 59.610 -1.879 1
1 120 . 6 1 1 A 12 12 SER CB C 12 63.439 64.330 -0.891 1
1 121 . 6 1 1 A 12 12 SER N N 12 121.965 120.740 1.225 1
1 122 . 6 1 1 A 13 13 GLY H H 13 9.022 8.003 1.019 1
1 123 . 6 1 1 A 13 13 GLY HA2 H 13 4.052 3.992 0.060 1
1 124 . 6 1 1 A 13 13 GLY HA3 H 13 3.957 4.012 -0.055 1
1 125 . 6 1 1 A 13 13 GLY C C 13 176.178 176.067 0.111 1
1 126 . 6 1 1 A 13 13 GLY CA C 13 47.972 45.465 2.507 1
1 127 . 6 1 1 A 13 13 GLY N N 13 109.294 109.683 -0.389 1
1 128 . 6 1 1 A 14 14 GLU H H 14 9.552 8.471 1.081 1
1 129 . 6 1 1 A 14 14 GLU HA H 14 4.347 4.136 0.211 1
1 134 . 6 1 1 A 14 14 GLU C C 14 177.045 177.627 -0.582 1
1 135 . 6 1 1 A 14 14 GLU CA C 14 60.282 59.395 0.887 1
1 136 . 6 1 1 A 14 14 GLU CB C 14 29.145 28.987 0.158 1
1 138 . 6 1 1 A 14 14 GLU N N 14 123.736 120.845 2.891 1
1 139 . 6 1 1 A 15 15 ASN H H 15 8.425 7.690 0.735 1
1 140 . 6 1 1 A 15 15 ASN HA H 15 5.030 4.520 0.510 1
1 144 . 6 1 1 A 15 15 ASN C C 15 174.848 174.620 0.228 1
1 145 . 6 1 1 A 15 15 ASN CA C 15 51.725 52.957 -1.232 1
1 146 . 6 1 1 A 15 15 ASN CB C 15 38.404 38.226 0.178 1
1 147 . 6 1 1 A 15 15 ASN N N 15 112.918 117.450 -4.532 1
1 150 . 6 1 1 A 16 16 TYR H H 16 7.622 7.814 -0.192 1
1 151 . 6 1 1 A 16 16 TYR HA H 16 4.445 4.301 0.144 1
1 159 . 6 1 1 A 16 16 TYR C C 16 175.773 175.513 0.260 1
1 160 . 6 1 1 A 16 16 TYR CA C 16 60.125 56.652 3.473 1
1 161 . 6 1 1 A 16 16 TYR CB C 16 38.590 38.402 0.188 1
1 166 . 6 1 1 A 16 16 TYR N N 16 121.437 121.245 0.192 1
1 167 . 6 1 1 A 17 17 ASP H H 17 8.722 8.025 0.697 1
1 168 . 6 1 1 A 17 17 ASP HA H 17 4.599 4.810 -0.211 1
1 171 . 6 1 1 A 17 17 ASP C C 17 175.748 176.249 -0.501 1
1 172 . 6 1 1 A 17 17 ASP CA C 17 52.327 52.519 -0.192 1
1 173 . 6 1 1 A 17 17 ASP CB C 17 42.265 40.138 2.127 1
1 174 . 6 1 1 A 17 17 ASP N N 17 130.345 125.845 4.500 1
1 175 . 6 1 1 A 18 18 GLY H H 18 4.504 7.025 -2.521 1
1 176 . 6 1 1 A 18 18 GLY HA2 H 18 4.092 3.580 0.512 1
1 177 . 6 1 1 A 18 18 GLY HA3 H 18 3.786 3.910 -0.124 1
1 178 . 6 1 1 A 18 18 GLY C C 18 174.732 174.306 0.426 1
1 179 . 6 1 1 A 18 18 GLY CA C 18 44.739 44.333 0.406 1
1 180 . 6 1 1 A 18 18 GLY N N 18 104.445 108.018 -3.573 1
1 181 . 6 1 1 A 19 19 LYS H H 19 9.272 8.261 1.011 1
1 182 . 6 1 1 A 19 19 LYS HA H 19 3.248 3.296 -0.048 1
1 191 . 6 1 1 A 19 19 LYS C C 19 176.409 176.163 0.246 1
1 192 . 6 1 1 A 19 19 LYS CA C 19 55.454 55.027 0.427 1
1 193 . 6 1 1 A 19 19 LYS CB C 19 32.499 31.455 1.044 1
1 197 . 6 1 1 A 19 19 LYS N N 19 117.569 116.497 1.072 1
1 198 . 6 1 1 A 20 20 ILE H H 20 7.559 7.582 -0.023 1
1 199 . 6 1 1 A 20 20 ILE HA H 20 3.991 4.201 -0.210 1
1 209 . 6 1 1 A 20 20 ILE C C 20 176.756 176.003 0.753 1
1 210 . 6 1 1 A 20 20 ILE CA C 20 64.261 62.309 1.952 1
1 211 . 6 1 1 A 20 20 ILE CB C 20 36.212 38.590 -2.378 1
1 215 . 6 1 1 A 20 20 ILE N N 20 122.778 122.533 0.245 1
1 216 . 6 1 1 A 21 21 SER H H 21 8.817 8.961 -0.144 1
1 217 . 6 1 1 A 21 21 SER HA H 21 5.128 5.133 -0.005 1
1 220 . 6 1 1 A 21 21 SER C C 21 172.708 173.898 -1.190 1
1 221 . 6 1 1 A 21 21 SER CA C 21 57.513 57.385 0.128 1
1 222 . 6 1 1 A 21 21 SER CB C 21 65.126 64.432 0.694 1
1 223 . 6 1 1 A 21 21 SER N N 21 122.859 122.066 0.793 1
1 224 . 6 1 1 A 22 22 LYS H H 22 7.150 7.727 -0.577 1
1 225 . 6 1 1 A 22 22 LYS HA H 22 5.530 5.432 0.098 1
1 234 . 6 1 1 A 22 22 LYS C C 22 176.120 176.641 -0.521 1
1 235 . 6 1 1 A 22 22 LYS CA C 22 53.471 54.758 -1.287 1
1 236 . 6 1 1 A 22 22 LYS CB C 22 37.049 35.783 1.266 1
1 240 . 6 1 1 A 22 22 LYS N N 22 119.681 120.908 -1.227 1
1 241 . 6 1 1 A 23 23 THR H H 23 9.134 8.824 0.310 1
1 242 . 6 1 1 A 23 23 THR HA H 23 4.630 4.777 -0.147 1
1 248 . 6 1 1 A 23 23 THR C C 23 177.971 175.977 1.994 1
1 249 . 6 1 1 A 23 23 THR CA C 23 61.032 60.642 0.390 1
1 250 . 6 1 1 A 23 23 THR CB C 23 70.818 71.445 -0.627 1
1 252 . 6 1 1 A 23 23 THR N N 23 111.072 114.139 -3.067 1
1 253 . 6 1 1 A 24 24 MET H H 24 9.383 8.673 0.710 1
1 254 . 6 1 1 A 24 24 MET HA H 24 4.168 4.260 -0.092 1
1 259 . 6 1 1 A 24 24 MET C C 24 176.122 176.651 -0.529 1
1 260 . 6 1 1 A 24 24 MET CA C 24 58.704 57.688 1.016 1
1 261 . 6 1 1 A 24 24 MET CB C 24 32.546 32.509 0.037 1
1 263 . 6 1 1 A 24 24 MET N N 24 118.120 119.727 -1.607 1
1 264 . 6 1 1 A 25 25 SER H H 25 7.763 8.285 -0.522 1
1 265 . 6 1 1 A 25 25 SER HA H 25 4.575 4.507 0.068 1
1 269 . 6 1 1 A 25 25 SER C C 25 174.848 175.674 -0.826 1
1 270 . 6 1 1 A 25 25 SER CA C 25 58.895 59.046 -0.151 1
1 271 . 6 1 1 A 25 25 SER CB C 25 62.844 64.637 -1.793 1
1 272 . 6 1 1 A 25 25 SER N N 25 113.626 110.862 2.764 1
1 273 . 6 1 1 A 26 26 GLY H H 26 8.136 8.087 0.049 1
1 274 . 6 1 1 A 26 26 GLY HA2 H 26 4.305 3.940 0.365 1
1 275 . 6 1 1 A 26 26 GLY HA3 H 26 3.503 3.947 -0.444 1
1 276 . 6 1 1 A 26 26 GLY C C 26 174.212 174.944 -0.732 1
1 277 . 6 1 1 A 26 26 GLY CA C 26 45.125 45.670 -0.545 1
1 278 . 6 1 1 A 26 26 GLY N N 26 110.819 111.707 -0.888 1
1 279 . 6 1 1 A 27 27 LEU H H 27 7.183 7.822 -0.639 1
1 280 . 6 1 1 A 27 27 LEU HA H 27 4.319 4.434 -0.115 1
1 290 . 6 1 1 A 27 27 LEU C C 27 176.178 176.719 -0.541 1
1 291 . 6 1 1 A 27 27 LEU CA C 27 54.211 54.794 -0.583 1
1 292 . 6 1 1 A 27 27 LEU CB C 27 42.260 42.583 -0.323 1
1 296 . 6 1 1 A 27 27 LEU N N 27 120.765 122.082 -1.317 1
1 297 . 6 1 1 A 28 28 GLU H H 28 8.699 8.695 0.004 1
1 298 . 6 1 1 A 28 28 GLU HA H 28 4.506 4.429 0.077 1
1 303 . 6 1 1 A 28 28 GLU C C 28 177.161 176.527 0.634 1
1 304 . 6 1 1 A 28 28 GLU CA C 28 56.451 55.902 0.549 1
1 305 . 6 1 1 A 28 28 GLU CB C 28 30.018 30.506 -0.488 1
1 307 . 6 1 1 A 28 28 GLU N N 28 122.582 120.997 1.585 1
1 308 . 6 1 1 A 29 29 CYS H H 29 8.624 8.985 -0.361 1
1 309 . 6 1 1 A 29 29 CYS HA H 29 4.812 5.089 -0.277 1
1 312 . 6 1 1 A 29 29 CYS C C 29 177.045 173.139 3.906 1
1 313 . 6 1 1 A 29 29 CYS CA C 29 55.189 56.503 -1.314 1
1 314 . 6 1 1 A 29 29 CYS CB C 29 37.938 42.927 -4.989 1
1 315 . 6 1 1 A 29 29 CYS N N 29 125.564 125.727 -0.163 1
1 316 . 6 1 1 A 30 30 GLN H H 30 9.664 8.968 0.696 1
1 317 . 6 1 1 A 30 30 GLN HA H 30 3.841 4.541 -0.700 1
1 324 . 6 1 1 A 30 30 GLN C C 30 175.310 175.911 -0.601 1
1 325 . 6 1 1 A 30 30 GLN CA C 30 55.501 54.641 0.860 1
1 326 . 6 1 1 A 30 30 GLN CB C 30 29.943 30.422 -0.479 1
1 328 . 6 1 1 A 30 30 GLN N N 30 127.687 125.672 2.015 1
1 330 . 6 1 1 A 31 31 ALA H H 31 8.728 8.766 -0.038 1
1 331 . 6 1 1 A 31 31 ALA HA H 31 4.052 4.498 -0.446 1
1 335 . 6 1 1 A 31 31 ALA C C 31 178.722 178.618 0.104 1
1 336 . 6 1 1 A 31 31 ALA CA C 31 52.327 52.831 -0.504 1
1 337 . 6 1 1 A 31 31 ALA CB C 31 18.034 19.274 -1.240 1
1 338 . 6 1 1 A 31 31 ALA N N 31 128.680 128.642 0.038 1
1 339 . 6 1 1 A 32 32 TRP H H 32 7.703 8.777 -1.074 1
1 340 . 6 1 1 A 32 32 TRP HA H 32 4.244 4.518 -0.274 1
1 349 . 6 1 1 A 32 32 TRP C C 32 177.566 178.310 -0.744 1
1 350 . 6 1 1 A 32 32 TRP CA C 32 59.531 59.600 -0.069 1
1 351 . 6 1 1 A 32 32 TRP CB C 32 29.953 29.324 0.629 1
1 357 . 6 1 1 A 32 32 TRP N N 32 123.505 124.364 -0.859 1
1 359 . 6 1 1 A 33 33 ASP H H 33 8.797 8.512 0.285 1
1 360 . 6 1 1 A 33 33 ASP HA H 33 4.634 4.708 -0.074 1
1 363 . 6 1 1 A 33 33 ASP C C 33 175.831 175.831 0.000 1
1 364 . 6 1 1 A 33 33 ASP CA C 33 54.398 54.429 -0.031 1
1 365 . 6 1 1 A 33 33 ASP CB C 33 40.707 40.133 0.574 1
1 366 . 6 1 1 A 33 33 ASP N N 33 113.424 116.847 -3.423 1
1 367 . 6 1 1 A 34 34 SER H H 34 8.039 7.866 0.173 1
1 368 . 6 1 1 A 34 34 SER HA H 34 4.737 4.657 0.080 1
1 372 . 6 1 1 A 34 34 SER C C 34 174.096 174.414 -0.318 1
1 373 . 6 1 1 A 34 34 SER CA C 34 56.454 56.614 -0.160 1
1 374 . 6 1 1 A 34 34 SER CB C 34 65.137 64.402 0.735 1
1 375 . 6 1 1 A 34 34 SER N N 34 114.429 115.990 -1.561 1
1 376 . 6 1 1 A 35 35 GLN H H 35 8.387 8.987 -0.600 1
1 377 . 6 1 1 A 35 35 GLN HA H 35 4.426 4.679 -0.253 1
1 384 . 6 1 1 A 35 35 GLN C C 35 173.518 175.037 -1.519 1
1 385 . 6 1 1 A 35 35 GLN CA C 35 54.020 54.947 -0.927 1
1 386 . 6 1 1 A 35 35 GLN CB C 35 28.804 29.185 -0.381 1
1 388 . 6 1 1 A 35 35 GLN N N 35 123.700 129.378 -5.678 1
1 390 . 6 1 1 A 36 36 SER H H 36 7.746 7.645 0.101 1
1 391 . 6 1 1 A 36 36 SER HA H 36 4.466 4.947 -0.481 1
1 395 . 6 1 1 A 36 36 SER C C 36 172.824 173.537 -0.713 1
1 396 . 6 1 1 A 36 36 SER CA C 36 54.749 55.332 -0.583 1
1 397 . 6 1 1 A 36 36 SER CB C 36 65.162 65.292 -0.130 1
1 398 . 6 1 1 A 36 36 SER N N 36 112.974 116.052 -3.078 1
1 399 . 6 1 1 A 37 37 PRO HA H 37 4.382 4.473 -0.091 1
1 406 . 6 1 1 A 37 37 PRO C C 37 176.351 176.113 0.238 1
1 407 . 6 1 1 A 37 37 PRO CA C 37 64.110 63.805 0.305 1
1 408 . 6 1 1 A 37 37 PRO CB C 37 33.670 31.914 1.756 1
1 411 . 6 1 1 A 38 38 HIS H H 38 8.764 7.142 1.622 1
1 412 . 6 1 1 A 38 38 HIS HA H 38 4.897 4.673 0.224 1
1 417 . 6 1 1 A 38 38 HIS C C 38 178.144 174.796 3.348 1
1 418 . 6 1 1 A 38 38 HIS CA C 38 55.580 55.677 -0.097 1
1 419 . 6 1 1 A 38 38 HIS CB C 38 30.421 30.443 -0.022 1
1 422 . 6 1 1 A 38 38 HIS N N 38 122.516 117.182 5.334 1
1 423 . 6 1 1 A 39 39 ALA H H 39 8.673 8.554 0.119 1
1 424 . 6 1 1 A 39 39 ALA HA H 39 4.493 4.576 -0.083 1
1 428 . 6 1 1 A 39 39 ALA C C 39 178.375 177.220 1.155 1
1 429 . 6 1 1 A 39 39 ALA CA C 39 51.440 52.214 -0.774 1
1 430 . 6 1 1 A 39 39 ALA CB C 39 18.980 19.521 -0.541 1
1 431 . 6 1 1 A 39 39 ALA N N 39 128.546 127.600 0.946 1
1 432 . 6 1 1 A 40 40 HIS H H 40 9.291 8.612 0.679 1
1 433 . 6 1 1 A 40 40 HIS HA H 40 4.734 5.394 -0.660 1
1 439 . 6 1 1 A 40 40 HIS C C 40 175.484 174.747 0.737 1
1 440 . 6 1 1 A 40 40 HIS CA C 40 56.141 53.959 2.182 1
1 441 . 6 1 1 A 40 40 HIS CB C 40 35.545 31.715 3.830 1
1 444 . 6 1 1 A 40 40 HIS N N 40 120.682 116.549 4.133 1
1 445 . 6 1 1 A 41 41 GLY H H 41 9.080 8.955 0.125 1
1 446 . 6 1 1 A 41 41 GLY HA2 H 41 4.602 3.886 0.716 1
1 447 . 6 1 1 A 41 41 GLY HA3 H 41 3.671 3.939 -0.268 1
1 448 . 6 1 1 A 41 41 GLY C C 41 176.409 174.034 2.375 1
1 449 . 6 1 1 A 41 41 GLY CA C 41 44.724 45.749 -1.025 1
1 450 . 6 1 1 A 41 41 GLY N N 41 106.159 107.862 -1.703 1
1 451 . 6 1 1 A 42 42 TYR H H 42 11.980 8.357 3.623 1
1 452 . 6 1 1 A 42 42 TYR HA H 42 4.616 5.230 -0.614 1
1 459 . 6 1 1 A 42 42 TYR C C 42 174.385 175.408 -1.023 1
1 460 . 6 1 1 A 42 42 TYR CA C 42 57.579 57.213 0.366 1
1 461 . 6 1 1 A 42 42 TYR CB C 42 36.198 36.938 -0.740 1
1 466 . 6 1 1 A 42 42 TYR N N 42 133.554 119.535 14.019 1
1 467 . 6 1 1 A 43 43 ILE H H 43 7.120 8.316 -1.196 1
1 468 . 6 1 1 A 43 43 ILE HA H 43 4.630 4.643 -0.013 1
1 478 . 6 1 1 A 43 43 ILE C C 43 177.219 176.180 1.039 1
1 479 . 6 1 1 A 43 43 ILE CA C 43 58.201 58.336 -0.135 1
1 480 . 6 1 1 A 43 43 ILE CB C 43 38.761 37.902 0.859 1
1 484 . 6 1 1 A 43 43 ILE N N 43 118.881 125.807 -6.926 1
1 485 . 6 1 1 A 44 44 PRO HA H 44 4.193 4.339 -0.146 1
1 492 . 6 1 1 A 44 44 PRO C C 44 178.780 177.789 0.991 1
1 493 . 6 1 1 A 44 44 PRO CA C 44 67.061 64.522 2.539 1
1 494 . 6 1 1 A 44 44 PRO CB C 44 32.267 32.081 0.186 1
1 497 . 6 1 1 A 45 45 SER H H 45 7.984 8.175 -0.191 1
1 498 . 6 1 1 A 45 45 SER HA H 45 4.087 4.243 -0.156 1
1 502 . 6 1 1 A 45 45 SER C C 45 176.004 175.675 0.329 1
1 503 . 6 1 1 A 45 45 SER CA C 45 60.161 60.673 -0.512 1
1 504 . 6 1 1 A 45 45 SER CB C 45 62.260 62.730 -0.470 1
1 505 . 6 1 1 A 45 45 SER N N 45 107.865 112.001 -4.136 1
1 506 . 6 1 1 A 46 46 LYS H H 46 7.769 7.660 0.109 1
1 507 . 6 1 1 A 46 46 LYS HA H 46 3.965 4.136 -0.171 1
1 516 . 6 1 1 A 46 46 LYS C C 46 175.831 176.389 -0.558 1
1 517 . 6 1 1 A 46 46 LYS CA C 46 57.349 57.483 -0.134 1
1 518 . 6 1 1 A 46 46 LYS CB C 46 33.283 32.577 0.706 1
1 522 . 6 1 1 A 46 46 LYS N N 46 121.944 118.016 3.928 1
1 523 . 6 1 1 A 47 47 PHE H H 47 7.018 7.520 -0.502 1
1 524 . 6 1 1 A 47 47 PHE HA H 47 5.244 5.096 0.148 1
1 532 . 6 1 1 A 47 47 PHE C C 47 174.790 174.637 0.153 1
1 533 . 6 1 1 A 47 47 PHE CA C 47 54.142 54.854 -0.712 1
1 534 . 6 1 1 A 47 47 PHE CB C 47 39.434 38.446 0.988 1
1 539 . 6 1 1 A 47 47 PHE N N 47 115.480 118.880 -3.400 1
1 540 . 6 1 1 A 48 48 PRO HA H 48 4.472 4.555 -0.083 1
1 547 . 6 1 1 A 48 48 PRO C C 48 177.681 178.255 -0.574 1
1 548 . 6 1 1 A 48 48 PRO CA C 48 65.513 65.059 0.454 1
1 549 . 6 1 1 A 48 48 PRO CB C 48 31.712 31.579 0.133 1
1 552 . 6 1 1 A 49 49 ASN H H 49 8.559 8.985 -0.426 1
1 553 . 6 1 1 A 49 49 ASN HA H 49 4.818 4.533 0.285 1
1 558 . 6 1 1 A 49 49 ASN C C 49 175.715 176.143 -0.428 1
1 559 . 6 1 1 A 49 49 ASN CA C 49 53.372 54.408 -1.036 1
1 560 . 6 1 1 A 49 49 ASN CB C 49 37.351 37.007 0.344 1
1 561 . 6 1 1 A 49 49 ASN N N 49 114.836 115.249 -0.413 1
1 563 . 6 1 1 A 50 50 LYS H H 50 7.627 7.536 0.091 1
1 564 . 6 1 1 A 50 50 LYS HA H 50 4.480 4.306 0.174 1
1 573 . 6 1 1 A 50 50 LYS C C 50 175.079 175.737 -0.658 1
1 574 . 6 1 1 A 50 50 LYS CA C 50 53.336 55.760 -2.424 1
1 575 . 6 1 1 A 50 50 LYS CB C 50 31.284 32.325 -1.041 1
1 579 . 6 1 1 A 50 50 LYS N N 50 116.224 117.553 -1.329 1
1 580 . 6 1 1 A 51 51 ASN H H 51 7.945 8.178 -0.233 1
1 581 . 6 1 1 A 51 51 ASN HA H 51 4.304 4.317 -0.013 1
1 586 . 6 1 1 A 51 51 ASN C C 51 175.195 174.057 1.138 1
1 587 . 6 1 1 A 51 51 ASN CA C 51 54.089 54.074 0.015 1
1 588 . 6 1 1 A 51 51 ASN CB C 51 36.504 37.181 -0.677 1
1 589 . 6 1 1 A 51 51 ASN N N 51 115.331 116.731 -1.400 1
1 591 . 6 1 1 A 52 52 LEU H H 52 8.803 7.972 0.831 1
1 592 . 6 1 1 A 52 52 LEU HA H 52 3.412 3.886 -0.474 1
1 602 . 6 1 1 A 52 52 LEU C C 52 174.674 176.198 -1.524 1
1 603 . 6 1 1 A 52 52 LEU CA C 52 53.983 54.429 -0.446 1
1 604 . 6 1 1 A 52 52 LEU CB C 52 42.471 39.889 2.582 1
1 608 . 6 1 1 A 52 52 LEU N N 52 121.765 119.707 2.058 1
1 609 . 6 1 1 A 53 53 LYS H H 53 7.099 8.296 -1.197 1
1 610 . 6 1 1 A 53 53 LYS HA H 53 4.324 4.847 -0.523 1
1 619 . 6 1 1 A 53 53 LYS C C 53 173.460 176.477 -3.017 1
1 620 . 6 1 1 A 53 53 LYS CA C 53 54.843 54.326 0.517 1
1 621 . 6 1 1 A 53 53 LYS CB C 53 36.395 35.703 0.692 1
1 625 . 6 1 1 A 53 53 LYS N N 53 124.403 123.549 0.854 1
1 626 . 6 1 1 A 54 54 LYS H H 54 8.805 8.927 -0.122 1
1 627 . 6 1 1 A 54 54 LYS HA H 54 3.692 3.836 -0.144 1
1 636 . 6 1 1 A 54 54 LYS C C 54 173.344 175.938 -2.594 1
1 637 . 6 1 1 A 54 54 LYS CA C 54 56.366 57.830 -1.464 1
1 638 . 6 1 1 A 54 54 LYS CB C 54 29.830 30.401 -0.571 1
1 642 . 6 1 1 A 54 54 LYS N N 54 118.125 117.431 0.694 1
1 643 . 6 1 1 A 55 55 ASN H H 55 7.567 8.345 -0.778 1
1 644 . 6 1 1 A 55 55 ASN HA H 55 4.643 4.672 -0.029 1
1 649 . 6 1 1 A 55 55 ASN C C 55 172.188 175.246 -3.058 1
1 650 . 6 1 1 A 55 55 ASN CA C 55 51.091 51.612 -0.521 1
1 651 . 6 1 1 A 55 55 ASN CB C 55 37.234 37.537 -0.303 1
1 652 . 6 1 1 A 55 55 ASN N N 55 123.893 121.590 2.303 1
1 654 . 6 1 1 A 56 56 TYR H H 56 7.584 7.528 0.056 1
1 655 . 6 1 1 A 56 56 TYR HA H 56 4.892 5.225 -0.333 1
1 662 . 6 1 1 A 56 56 TYR C C 56 177.276 176.197 1.079 1
1 663 . 6 1 1 A 56 56 TYR CA C 56 54.447 58.222 -3.775 1
1 664 . 6 1 1 A 56 56 TYR CB C 56 38.633 39.628 -0.995 1
1 669 . 6 1 1 A 56 56 TYR N N 56 115.237 119.790 -4.553 1
1 670 . 6 1 1 A 57 57 CYS H H 57 9.149 8.949 0.200 1
1 671 . 6 1 1 A 57 57 CYS HA H 57 4.398 4.894 -0.496 1
1 674 . 6 1 1 A 57 57 CYS C C 57 175.600 174.531 1.069 1
1 675 . 6 1 1 A 57 57 CYS CA C 57 59.824 56.444 3.380 1
1 676 . 6 1 1 A 57 57 CYS CB C 57 48.356 42.514 5.842 1
1 677 . 6 1 1 A 57 57 CYS N N 57 119.273 121.849 -2.576 1
1 678 . 6 1 1 A 58 58 ARG H H 58 9.138 8.529 0.609 1
1 679 . 6 1 1 A 58 58 ARG HA H 58 4.918 5.168 -0.250 1
1 687 . 6 1 1 A 58 58 ARG C C 58 173.576 174.523 -0.947 1
1 688 . 6 1 1 A 58 58 ARG CA C 58 53.187 54.327 -1.140 1
1 689 . 6 1 1 A 58 58 ARG CB C 58 29.412 34.408 -4.996 1
1 692 . 6 1 1 A 58 58 ARG N N 58 122.881 125.200 -2.319 1
1 694 . 6 1 1 A 59 59 ASN H H 59 8.868 8.586 0.282 1
1 695 . 6 1 1 A 59 59 ASN HA H 59 5.513 5.105 0.408 1
1 700 . 6 1 1 A 59 59 ASN C C 59 172.824 173.727 -0.903 1
1 701 . 6 1 1 A 59 59 ASN CA C 59 53.176 50.247 2.929 1
1 702 . 6 1 1 A 59 59 ASN CB C 59 37.237 39.112 -1.875 1
1 703 . 6 1 1 A 59 59 ASN N N 59 113.603 119.109 -5.506 1
1 705 . 6 1 1 A 60 60 PRO HA H 60 4.712 4.289 0.423 1
1 712 . 6 1 1 A 60 60 PRO C C 60 175.715 178.521 -2.806 1
1 713 . 6 1 1 A 60 60 PRO CA C 60 63.643 64.542 -0.899 1
1 714 . 6 1 1 A 60 60 PRO CB C 60 32.507 31.845 0.662 1
1 717 . 6 1 1 A 61 61 ASP H H 61 8.883 8.053 0.830 1
1 718 . 6 1 1 A 61 61 ASP HA H 61 4.495 4.377 0.118 1
1 721 . 6 1 1 A 61 61 ASP C C 61 174.848 175.986 -1.138 1
1 722 . 6 1 1 A 61 61 ASP CA C 61 51.953 57.510 -5.557 1
1 723 . 6 1 1 A 61 61 ASP CB C 61 42.092 41.015 1.077 1
1 724 . 6 1 1 A 61 61 ASP N N 61 118.660 117.158 1.502 1
1 725 . 6 1 1 A 62 62 ARG H H 62 8.395 7.525 0.870 1
1 726 . 6 1 1 A 62 62 ARG HA H 62 3.789 3.998 -0.209 1
1 734 . 6 1 1 A 62 62 ARG C C 62 176.236 174.701 1.535 1
1 735 . 6 1 1 A 62 62 ARG CA C 62 57.318 56.980 0.338 1
1 736 . 6 1 1 A 62 62 ARG CB C 62 26.990 26.872 0.118 1
1 739 . 6 1 1 A 62 62 ARG N N 62 116.013 116.307 -0.294 1
1 741 . 6 1 1 A 63 63 ASP H H 63 9.735 8.034 1.701 1
1 742 . 6 1 1 A 63 63 ASP HA H 63 4.769 4.674 0.095 1
1 745 . 6 1 1 A 63 63 ASP C C 63 177.334 176.850 0.484 1
1 746 . 6 1 1 A 63 63 ASP CA C 63 51.973 53.229 -1.256 1
1 747 . 6 1 1 A 63 63 ASP CB C 63 42.698 42.654 0.044 1
1 748 . 6 1 1 A 63 63 ASP N N 63 121.799 118.243 3.556 1
1 749 . 6 1 1 A 64 64 LEU H H 64 10.919 8.658 2.261 1
1 750 . 6 1 1 A 64 64 LEU HA H 64 3.995 4.203 -0.208 1
1 760 . 6 1 1 A 64 64 LEU C C 64 176.467 176.836 -0.369 1
1 761 . 6 1 1 A 64 64 LEU CA C 64 57.772 56.569 1.203 1
1 762 . 6 1 1 A 64 64 LEU CB C 64 43.630 42.941 0.689 1
1 766 . 6 1 1 A 64 64 LEU N N 64 121.789 122.409 -0.620 1
1 767 . 6 1 1 A 65 65 ARG H H 65 7.633 7.857 -0.224 1
1 768 . 6 1 1 A 65 65 ARG HA H 65 5.006 5.031 -0.025 1
1 776 . 6 1 1 A 65 65 ARG C C 65 172.130 173.986 -1.856 1
1 777 . 6 1 1 A 65 65 ARG CA C 65 53.368 54.329 -0.961 1
1 778 . 6 1 1 A 65 65 ARG CB C 65 28.429 32.443 -4.014 1
1 781 . 6 1 1 A 65 65 ARG N N 65 108.790 113.325 -4.535 1
1 783 . 6 1 1 A 66 66 PRO HA H 66 4.281 4.892 -0.611 1
1 790 . 6 1 1 A 66 66 PRO C C 66 172.940 176.392 -3.452 1
1 791 . 6 1 1 A 66 66 PRO CA C 66 63.677 63.256 0.421 1
1 792 . 6 1 1 A 66 66 PRO CB C 66 32.592 32.941 -0.349 1
1 795 . 6 1 1 A 67 67 TRP H H 67 8.716 8.529 0.187 1
1 796 . 6 1 1 A 67 67 TRP HA H 67 5.406 5.332 0.074 1
1 805 . 6 1 1 A 67 67 TRP C C 67 172.919 173.863 -0.944 1
1 806 . 6 1 1 A 67 67 TRP CA C 67 56.035 55.280 0.755 1
1 807 . 6 1 1 A 67 67 TRP CB C 67 34.026 32.067 1.959 1
1 813 . 6 1 1 A 67 67 TRP N N 67 121.250 118.599 2.651 1
1 815 . 6 1 1 A 68 68 CYS H H 68 8.384 9.079 -0.695 1
1 816 . 6 1 1 A 68 68 CYS HA H 68 4.265 4.576 -0.311 1
1 819 . 6 1 1 A 68 68 CYS C C 68 175.079 172.824 2.255 1
1 820 . 6 1 1 A 68 68 CYS CA C 68 55.876 55.477 0.399 1
1 821 . 6 1 1 A 68 68 CYS CB C 68 42.232 45.956 -3.724 1
1 822 . 6 1 1 A 68 68 CYS N N 68 109.624 117.335 -7.711 1
1 823 . 6 1 1 A 69 69 PHE H H 69 8.031 8.277 -0.246 1
1 824 . 6 1 1 A 69 69 PHE HA H 69 5.420 4.905 0.515 1
1 832 . 6 1 1 A 69 69 PHE C C 69 176.814 175.857 0.957 1
1 833 . 6 1 1 A 69 69 PHE CA C 69 59.299 57.839 1.460 1
1 834 . 6 1 1 A 69 69 PHE CB C 69 38.411 39.511 -1.100 1
1 840 . 6 1 1 A 69 69 PHE N N 69 120.433 121.389 -0.956 1
1 841 . 6 1 1 A 70 70 THR H H 70 8.002 8.398 -0.396 1
1 842 . 6 1 1 A 70 70 THR HA H 70 5.408 4.928 0.480 1
1 848 . 6 1 1 A 70 70 THR C C 70 173.518 175.810 -2.292 1
1 849 . 6 1 1 A 70 70 THR CA C 70 61.208 60.041 1.167 1
1 850 . 6 1 1 A 70 70 THR CB C 70 70.441 70.689 -0.248 1
1 852 . 6 1 1 A 70 70 THR N N 70 112.351 114.238 -1.887 1
1 853 . 6 1 1 A 71 71 THR H H 71 8.126 8.575 -0.449 1
1 854 . 6 1 1 A 71 71 THR HA H 71 4.037 4.389 -0.352 1
1 860 . 6 1 1 A 71 71 THR C C 71 174.903 174.738 0.165 1
1 861 . 6 1 1 A 71 71 THR CA C 71 62.413 62.469 -0.056 1
1 862 . 6 1 1 A 71 71 THR CB C 71 69.167 69.254 -0.087 1
1 864 . 6 1 1 A 71 71 THR N N 71 104.863 113.605 -8.742 1
1 865 . 6 1 1 A 72 72 ASP H H 72 9.024 7.773 1.251 1
1 866 . 6 1 1 A 72 72 ASP HA H 72 4.936 4.857 0.079 1
1 869 . 6 1 1 A 72 72 ASP C C 72 176.929 175.977 0.952 1
1 870 . 6 1 1 A 72 72 ASP CA C 72 51.333 52.102 -0.769 1
1 871 . 6 1 1 A 72 72 ASP CB C 72 43.416 41.806 1.610 1
1 872 . 6 1 1 A 72 72 ASP N N 72 126.242 124.672 1.570 1
1 873 . 6 1 1 A 73 73 PRO HA H 73 3.962 4.283 -0.321 1
1 880 . 6 1 1 A 73 73 PRO C C 73 177.045 178.043 -0.998 1
1 881 . 6 1 1 A 73 73 PRO CA C 73 64.632 64.944 -0.312 1
1 882 . 6 1 1 A 73 73 PRO CB C 73 32.460 31.943 0.517 1
1 885 . 6 1 1 A 74 74 ASN H H 74 8.943 8.113 0.830 1
1 886 . 6 1 1 A 74 74 ASN HA H 74 4.854 4.614 0.240 1
1 891 . 6 1 1 A 74 74 ASN C C 74 174.443 176.071 -1.628 1
1 892 . 6 1 1 A 74 74 ASN CA C 74 53.380 55.798 -2.418 1
1 893 . 6 1 1 A 74 74 ASN CB C 74 39.333 39.078 0.255 1
1 894 . 6 1 1 A 74 74 ASN N N 74 114.144 114.953 -0.809 1
1 896 . 6 1 1 A 75 75 LYS H H 75 7.795 7.567 0.228 1
1 897 . 6 1 1 A 75 75 LYS HA H 75 4.571 4.356 0.215 1
1 906 . 6 1 1 A 75 75 LYS C C 75 173.402 176.151 -2.749 1
1 907 . 6 1 1 A 75 75 LYS CA C 75 54.154 55.718 -1.564 1
1 908 . 6 1 1 A 75 75 LYS CB C 75 32.186 33.562 -1.376 1
1 912 . 6 1 1 A 75 75 LYS N N 75 122.835 118.887 3.948 1
1 913 . 6 1 1 A 76 76 ARG H H 76 9.132 8.835 0.297 1
1 914 . 6 1 1 A 76 76 ARG HA H 76 4.555 3.707 0.848 1
1 922 . 6 1 1 A 76 76 ARG C C 76 175.137 175.920 -0.783 1
1 923 . 6 1 1 A 76 76 ARG CA C 76 60.532 57.798 2.734 1
1 924 . 6 1 1 A 76 76 ARG CB C 76 29.307 31.487 -2.180 1
1 927 . 6 1 1 A 76 76 ARG N N 76 129.676 126.698 2.978 1
1 929 . 6 1 1 A 77 77 TRP H H 77 7.559 7.411 0.148 1
1 930 . 6 1 1 A 77 77 TRP HA H 77 5.357 5.125 0.232 1
1 939 . 6 1 1 A 77 77 TRP C C 77 172.940 173.829 -0.889 1
1 940 . 6 1 1 A 77 77 TRP CA C 77 55.044 55.483 -0.439 1
1 941 . 6 1 1 A 77 77 TRP CB C 77 31.951 31.823 0.128 1
1 947 . 6 1 1 A 77 77 TRP N N 77 109.174 114.019 -4.845 1
1 949 . 6 1 1 A 78 78 GLU H H 78 8.638 8.890 -0.252 1
1 950 . 6 1 1 A 78 78 GLU HA H 78 3.671 4.498 -0.827 1
1 955 . 6 1 1 A 78 78 GLU C C 78 174.501 175.013 -0.512 1
1 956 . 6 1 1 A 78 78 GLU CA C 78 55.659 55.430 0.229 1
1 957 . 6 1 1 A 78 78 GLU CB C 78 34.557 34.032 0.525 1
1 959 . 6 1 1 A 78 78 GLU N N 78 118.907 119.892 -0.985 1
1 960 . 6 1 1 A 79 79 TYR H H 79 7.636 8.755 -1.119 1
1 961 . 6 1 1 A 79 79 TYR HA H 79 4.995 4.968 0.027 1
1 968 . 6 1 1 A 79 79 TYR C C 79 175.889 175.826 0.063 1
1 969 . 6 1 1 A 79 79 TYR CA C 79 60.120 59.398 0.722 1
1 970 . 6 1 1 A 79 79 TYR CB C 79 39.789 38.934 0.855 1
1 975 . 6 1 1 A 79 79 TYR N N 79 119.277 123.562 -4.285 1
1 976 . 6 1 1 A 80 80 CYS H H 80 9.398 8.923 0.475 1
1 977 . 6 1 1 A 80 80 CYS HA H 80 4.720 5.486 -0.766 1
1 980 . 6 1 1 A 80 80 CYS C C 80 172.419 171.632 0.787 1
1 981 . 6 1 1 A 80 80 CYS CA C 80 54.618 54.652 -0.034 1
1 982 . 6 1 1 A 80 80 CYS CB C 80 46.736 45.752 0.984 1
1 983 . 6 1 1 A 80 80 CYS N N 80 118.623 121.462 -2.839 1
1 984 . 6 1 1 A 81 81 ASP H H 81 9.729 9.059 0.670 1
1 985 . 6 1 1 A 81 81 ASP HA H 81 4.781 4.987 -0.206 1
1 988 . 6 1 1 A 81 81 ASP C C 81 173.576 174.594 -1.018 1
1 989 . 6 1 1 A 81 81 ASP CA C 81 52.855 52.952 -0.097 1
1 990 . 6 1 1 A 81 81 ASP CB C 81 40.733 41.874 -1.141 1
1 991 . 6 1 1 A 81 81 ASP N N 81 124.777 126.649 -1.872 1
1 992 . 6 1 1 A 82 82 ILE H H 82 7.820 8.724 -0.904 1
1 993 . 6 1 1 A 82 82 ILE HA H 82 4.320 4.536 -0.216 1
1 1003 . 6 1 1 A 82 82 ILE C C 82 173.923 174.044 -0.121 1
1 1004 . 6 1 1 A 82 82 ILE CA C 82 56.118 57.696 -1.578 1
1 1005 . 6 1 1 A 82 82 ILE CB C 82 38.166 37.794 0.372 1
1 1009 . 6 1 1 A 82 82 ILE N N 82 125.281 126.452 -1.171 1
1 1010 . 6 1 1 A 83 83 PRO HA H 83 4.337 4.433 -0.096 1
1 1017 . 6 1 1 A 83 83 PRO C C 83 175.167 176.061 -0.894 1
1 1018 . 6 1 1 A 83 83 PRO CA C 83 62.844 63.310 -0.466 1
1 1019 . 6 1 1 A 83 83 PRO CB C 83 32.450 32.338 0.112 1
1 1022 . 6 1 1 A 84 84 ARG H H 84 8.656 8.539 0.117 1
1 1023 . 6 1 1 A 84 84 ARG HA H 84 4.658 4.723 -0.065 1
1 1031 . 6 1 1 A 84 84 ARG C C 84 175.137 175.029 0.108 1
1 1032 . 6 1 1 A 84 84 ARG CA C 84 55.617 55.552 0.065 1
1 1033 . 6 1 1 A 84 84 ARG CB C 84 30.482 30.773 -0.291 1
1 1036 . 6 1 1 A 84 84 ARG N N 84 122.316 122.307 0.009 1
1 1038 . 6 1 1 A 85 85 CYS H H 85 8.783 8.818 -0.035 1
1 1039 . 6 1 1 A 85 85 CYS HA H 85 4.479 5.227 -0.748 1
1 1042 . 6 1 1 A 85 85 CYS C C 85 174.906 173.523 1.383 1
1 1043 . 6 1 1 A 85 85 CYS CA C 85 54.177 54.641 -0.464 1
1 1044 . 6 1 1 A 85 85 CYS CB C 85 39.574 43.745 -4.171 1
1 1045 . 6 1 1 A 85 85 CYS N N 85 124.002 122.917 1.085 1
1 1046 . 6 1 1 A 86 86 ALA H H 86 8.746 8.822 -0.076 1
1 1047 . 6 1 1 A 86 86 ALA HA H 86 4.255 4.549 -0.294 1
1 1051 . 6 1 1 A 86 86 ALA C C 86 176.236 177.123 -0.887 1
1 1052 . 6 1 1 A 86 86 ALA CA C 86 53.067 51.404 1.663 1
1 1053 . 6 1 1 A 86 86 ALA CB C 86 19.034 18.973 0.061 1
1 1054 . 6 1 1 A 86 86 ALA N N 86 126.444 127.864 -1.420 1
1 1064 . 6 2 2 B 2 2 SER HA H 100 4.570 4.576 -0.006 1
1 1067 . 6 2 2 B 2 2 SER C C 100 174.779 174.456 0.323 1
1 1068 . 6 2 2 B 2 2 SER CA C 100 58.624 59.197 -0.573 1
1 1069 . 6 2 2 B 2 2 SER CB C 100 63.939 62.931 1.008 1
1 1070 . 6 2 2 B 3 3 VAL H H 101 8.341 8.575 -0.234 1
1 1071 . 6 2 2 B 3 3 VAL HA H 101 4.151 4.234 -0.083 1
1 1079 . 6 2 2 B 3 3 VAL C C 101 176.450 176.891 -0.441 1
1 1080 . 6 2 2 B 3 3 VAL CA C 101 62.793 63.737 -0.944 1
1 1081 . 6 2 2 B 3 3 VAL CB C 101 32.495 33.593 -1.098 1
1 1084 . 6 2 2 B 3 3 VAL N N 101 121.954 126.177 -4.223 1
1 1085 . 6 2 2 B 4 4 GLU H H 102 8.521 8.106 0.415 1
1 1086 . 6 2 2 B 4 4 GLU HA H 102 4.291 4.620 -0.329 1
1 1091 . 6 2 2 B 4 4 GLU C C 102 176.450 176.398 0.052 1
1 1092 . 6 2 2 B 4 4 GLU CA C 102 56.955 57.926 -0.971 1
1 1093 . 6 2 2 B 4 4 GLU CB C 102 30.233 32.447 -2.214 1
1 1095 . 6 2 2 B 4 4 GLU N N 102 124.722 120.847 3.875 1
1 1096 . 6 2 2 B 5 5 LYS H H 103 8.323 8.117 0.206 1
1 1097 . 6 2 2 B 5 5 LYS HA H 103 4.313 3.901 0.412 1
1 1106 . 6 2 2 B 5 5 LYS C C 103 176.784 175.462 1.322 1
1 1107 . 6 2 2 B 5 5 LYS CA C 103 56.688 57.270 -0.582 1
1 1108 . 6 2 2 B 5 5 LYS CB C 103 30.228 31.081 -0.853 1
1 1112 . 6 2 2 B 5 5 LYS N N 103 122.689 119.801 2.888 1
1 1113 . 6 2 2 B 6 6 LEU H H 104 8.369 8.362 0.007 1
1 1114 . 6 2 2 B 6 6 LEU HA H 104 4.500 3.961 0.539 1
1 1124 . 6 2 2 B 6 6 LEU C C 104 177.632 176.113 1.519 1
1 1125 . 6 2 2 B 6 6 LEU CA C 104 55.480 56.119 -0.639 1
1 1126 . 6 2 2 B 6 6 LEU CB C 104 42.587 40.724 1.863 1
1 1130 . 6 2 2 B 6 6 LEU N N 104 123.373 113.299 10.074 1
1 1131 . 6 2 2 B 7 7 THR HA H 105 4.558 4.402 0.156 1
1 1137 . 6 2 2 B 7 7 THR C C 105 175.614 174.859 0.755 1
1 1138 . 6 2 2 B 7 7 THR CA C 105 62.000 63.068 -1.068 1
1 1139 . 6 2 2 B 7 7 THR CB C 105 70.090 67.707 2.383 1
1 1141 . 6 2 2 B 8 8 ALA H H 106 8.649 8.491 0.158 1
1 1142 . 6 2 2 B 8 8 ALA HA H 106 4.458 3.977 0.481 1
1 1146 . 6 2 2 B 8 8 ALA C C 106 179.290 179.283 0.007 1
1 1147 . 6 2 2 B 8 8 ALA CA C 106 55.552 55.283 0.269 1
1 1148 . 6 2 2 B 8 8 ALA CB C 106 18.704 18.437 0.267 1
1 1149 . 6 2 2 B 8 8 ALA N N 106 124.857 128.273 -3.416 1
1 1150 . 6 2 2 B 9 9 ASP H H 107 8.286 8.261 0.025 1
1 1151 . 6 2 2 B 9 9 ASP HA H 107 4.457 4.416 0.041 1
1 1154 . 6 2 2 B 9 9 ASP C C 107 178.845 178.345 0.500 1
1 1155 . 6 2 2 B 9 9 ASP CA C 107 57.733 56.811 0.922 1
1 1156 . 6 2 2 B 9 9 ASP CB C 107 40.881 40.348 0.533 1
1 1157 . 6 2 2 B 9 9 ASP N N 107 115.621 119.490 -3.869 1
1 1158 . 6 2 2 B 10 10 ALA H H 108 7.887 8.376 -0.489 1
1 1159 . 6 2 2 B 10 10 ALA HA H 108 4.182 4.149 0.033 1
1 1163 . 6 2 2 B 10 10 ALA C C 108 180.906 179.540 1.366 1
1 1164 . 6 2 2 B 10 10 ALA CA C 108 55.014 55.005 0.009 1
1 1165 . 6 2 2 B 10 10 ALA CB C 108 18.631 18.375 0.256 1
1 1166 . 6 2 2 B 10 10 ALA N N 108 122.756 122.737 0.019 1
1 1167 . 6 2 2 B 11 11 GLU H H 109 8.390 7.933 0.457 1
1 1168 . 6 2 2 B 11 11 GLU HA H 109 4.256 4.129 0.127 1
1 1173 . 6 2 2 B 11 11 GLU C C 109 178.678 178.997 -0.319 1
1 1174 . 6 2 2 B 11 11 GLU CA C 109 59.105 58.657 0.448 1
1 1175 . 6 2 2 B 11 11 GLU CB C 109 29.559 29.474 0.085 1
1 1177 . 6 2 2 B 11 11 GLU N N 109 121.999 118.953 3.046 1
1 1178 . 6 2 2 B 12 12 LEU H H 110 8.395 8.727 -0.332 1
1 1179 . 6 2 2 B 12 12 LEU HA H 110 3.808 3.960 -0.152 1
1 1189 . 6 2 2 B 12 12 LEU C C 110 178.288 179.092 -0.804 1
1 1190 . 6 2 2 B 12 12 LEU CA C 110 58.407 58.011 0.396 1
1 1191 . 6 2 2 B 12 12 LEU CB C 110 41.329 41.532 -0.203 1
1 1195 . 6 2 2 B 12 12 LEU N N 110 119.939 120.038 -0.099 1
1 1196 . 6 2 2 B 13 13 GLN H H 111 7.761 8.310 -0.549 1
1 1197 . 6 2 2 B 13 13 GLN HA H 111 4.008 3.941 0.067 1
1 1202 . 6 2 2 B 13 13 GLN C C 111 177.954 178.632 -0.678 1
1 1203 . 6 2 2 B 13 13 GLN CA C 111 58.674 59.435 -0.761 1
1 1204 . 6 2 2 B 13 13 GLN CB C 111 28.513 28.224 0.289 1
1 1206 . 6 2 2 B 13 13 GLN N N 111 117.305 119.186 -1.881 1
1 1207 . 6 2 2 B 14 14 ARG H H 112 7.752 7.569 0.183 1
1 1208 . 6 2 2 B 14 14 ARG HA H 112 4.053 4.210 -0.157 1
1 1216 . 6 2 2 B 14 14 ARG C C 112 179.625 178.682 0.943 1
1 1217 . 6 2 2 B 14 14 ARG CA C 112 59.770 58.581 1.189 1
1 1218 . 6 2 2 B 14 14 ARG CB C 112 29.884 29.824 0.060 1
1 1221 . 6 2 2 B 14 14 ARG N N 112 121.241 120.246 0.995 1
1 1223 . 6 2 2 B 15 15 LEU H H 113 8.478 8.498 -0.020 1
1 1224 . 6 2 2 B 15 15 LEU HA H 113 3.974 4.001 -0.027 1
1 1234 . 6 2 2 B 15 15 LEU C C 113 180.627 179.082 1.545 1
1 1235 . 6 2 2 B 15 15 LEU CA C 113 58.251 57.819 0.432 1
1 1236 . 6 2 2 B 15 15 LEU CB C 113 41.751 41.331 0.420 1
1 1240 . 6 2 2 B 15 15 LEU N N 113 120.898 119.892 1.006 1
1 1241 . 6 2 2 B 16 16 LYS H H 114 8.437 8.489 -0.052 1
1 1242 . 6 2 2 B 16 16 LYS HA H 114 3.368 3.812 -0.444 1
1 1251 . 6 2 2 B 16 16 LYS C C 114 178.288 178.865 -0.577 1
1 1252 . 6 2 2 B 16 16 LYS CA C 114 60.242 59.853 0.389 1
1 1253 . 6 2 2 B 16 16 LYS CB C 114 30.249 32.077 -1.828 1
1 1257 . 6 2 2 B 16 16 LYS N N 114 123.214 120.445 2.769 1
1 1258 . 6 2 2 B 17 17 ASN H H 115 8.137 8.621 -0.484 1
1 1259 . 6 2 2 B 17 17 ASN HA H 115 4.270 4.580 -0.310 1
1 1264 . 6 2 2 B 17 17 ASN C C 115 178.288 177.798 0.490 1
1 1265 . 6 2 2 B 17 17 ASN CA C 115 56.318 56.426 -0.108 1
1 1266 . 6 2 2 B 17 17 ASN CB C 115 37.573 37.847 -0.274 1
1 1267 . 6 2 2 B 17 17 ASN N N 115 117.923 117.978 -0.055 1
1 1269 . 6 2 2 B 18 18 GLU H H 116 8.110 8.499 -0.389 1
1 1270 . 6 2 2 B 18 18 GLU HA H 116 4.146 4.000 0.146 1
1 1275 . 6 2 2 B 18 18 GLU C C 116 178.956 178.760 0.196 1
1 1276 . 6 2 2 B 18 18 GLU CA C 116 59.659 59.608 0.051 1
1 1277 . 6 2 2 B 18 18 GLU CB C 116 29.950 29.164 0.786 1
1 1279 . 6 2 2 B 18 18 GLU N N 116 120.249 119.725 0.524 1
1 1280 . 6 2 2 B 19 19 ARG H H 117 7.925 8.236 -0.311 1
1 1281 . 6 2 2 B 19 19 ARG HA H 117 4.057 4.030 0.027 1
1 1289 . 6 2 2 B 19 19 ARG C C 117 180.070 179.080 0.990 1
1 1290 . 6 2 2 B 19 19 ARG CA C 117 59.564 59.196 0.368 1
1 1291 . 6 2 2 B 19 19 ARG CB C 117 29.879 29.930 -0.051 1
1 1294 . 6 2 2 B 19 19 ARG N N 117 119.801 118.456 1.345 1
1 1296 . 6 2 2 B 20 20 HIS H H 118 8.316 7.519 0.797 1
1 1297 . 6 2 2 B 20 20 HIS HA H 118 4.574 4.318 0.256 1
1 1304 . 6 2 2 B 20 20 HIS C C 118 176.784 177.976 -1.192 1
1 1305 . 6 2 2 B 20 20 HIS CA C 118 58.397 59.604 -1.207 1
1 1306 . 6 2 2 B 20 20 HIS CB C 118 29.343 30.033 -0.690 1
1 1309 . 6 2 2 B 20 20 HIS N N 118 117.802 118.719 -0.917 1
1 1310 . 6 2 2 B 21 21 GLU H H 119 8.400 8.693 -0.293 1
1 1311 . 6 2 2 B 21 21 GLU HA H 119 4.268 3.856 0.412 1
1 1316 . 6 2 2 B 21 21 GLU C C 119 178.566 179.183 -0.617 1
1 1317 . 6 2 2 B 21 21 GLU CA C 119 59.105 59.770 -0.665 1
1 1318 . 6 2 2 B 21 21 GLU CB C 119 29.559 29.089 0.470 1
1 1320 . 6 2 2 B 21 21 GLU N N 119 121.996 119.128 2.868 1
1 1321 . 6 2 2 B 22 22 GLU H H 120 8.285 8.607 -0.322 1
1 1322 . 6 2 2 B 22 22 GLU HA H 120 4.204 4.084 0.120 1
1 1327 . 6 2 2 B 22 22 GLU C C 120 178.288 178.981 -0.693 1
1 1328 . 6 2 2 B 22 22 GLU CA C 120 58.841 58.922 -0.081 1
1 1329 . 6 2 2 B 22 22 GLU CB C 120 29.322 29.241 0.081 1
1 1331 . 6 2 2 B 22 22 GLU N N 120 119.798 120.061 -0.263 1
1 1332 . 6 2 2 B 23 23 ALA H H 121 8.037 8.308 -0.271 1
1 1333 . 6 2 2 B 23 23 ALA HA H 121 4.270 4.106 0.164 1
1 1337 . 6 2 2 B 23 23 ALA C C 121 179.569 178.527 1.042 1
1 1338 . 6 2 2 B 23 23 ALA CA C 121 54.158 54.637 -0.479 1
1 1339 . 6 2 2 B 23 23 ALA CB C 121 18.923 18.301 0.622 1
1 1340 . 6 2 2 B 23 23 ALA N N 121 122.418 121.767 0.651 1
1 1341 . 6 2 2 B 24 24 GLU H H 122 8.039 7.891 0.148 1
1 1342 . 6 2 2 B 24 24 GLU HA H 122 4.291 4.231 0.060 1
1 1347 . 6 2 2 B 24 24 GLU C C 122 177.954 178.959 -1.005 1
1 1348 . 6 2 2 B 24 24 GLU CA C 122 58.023 58.588 -0.565 1
1 1349 . 6 2 2 B 24 24 GLU CB C 122 29.566 29.482 0.084 1
1 1351 . 6 2 2 B 24 24 GLU N N 122 119.517 117.472 2.045 1
1 1352 . 6 2 2 B 25 25 LEU H H 123 7.962 8.566 -0.604 1
1 1353 . 6 2 2 B 25 25 LEU HA H 123 4.226 4.099 0.127 1
1 1363 . 6 2 2 B 25 25 LEU C C 123 179.123 178.538 0.585 1
1 1364 . 6 2 2 B 25 25 LEU CA C 123 57.213 57.398 -0.185 1
1 1365 . 6 2 2 B 25 25 LEU CB C 123 41.809 41.735 0.074 1
1 1369 . 6 2 2 B 25 25 LEU N N 123 120.617 122.754 -2.137 1
1 1370 . 6 2 2 B 26 26 GLU H H 124 8.093 8.283 -0.190 1
1 1371 . 6 2 2 B 26 26 GLU HA H 124 4.140 4.006 0.134 1
1 1376 . 6 2 2 B 26 26 GLU C C 124 177.954 179.409 -1.455 1
1 1377 . 6 2 2 B 26 26 GLU CA C 124 58.095 59.478 -1.383 1
1 1378 . 6 2 2 B 26 26 GLU CB C 124 29.910 29.187 0.723 1
1 1380 . 6 2 2 B 26 26 GLU N N 124 119.473 119.346 0.127 1
1 1381 . 6 2 2 B 27 27 ARG H H 125 7.954 7.813 0.141 1
1 1382 . 6 2 2 B 27 27 ARG HA H 125 4.210 4.355 -0.145 1
1 1390 . 6 2 2 B 27 27 ARG C C 125 177.619 178.813 -1.194 1
1 1391 . 6 2 2 B 27 27 ARG CA C 125 57.677 58.563 -0.886 1
1 1392 . 6 2 2 B 27 27 ARG CB C 125 30.374 29.698 0.676 1
1 1395 . 6 2 2 B 27 27 ARG N N 125 120.670 120.722 -0.052 1
1 1397 . 6 2 2 B 28 28 LEU H H 126 8.038 8.325 -0.287 1
1 1398 . 6 2 2 B 28 28 LEU HA H 126 4.270 4.099 0.171 1
1 1408 . 6 2 2 B 28 28 LEU C C 126 178.065 178.367 -0.302 1
1 1409 . 6 2 2 B 28 28 LEU CA C 126 56.096 57.666 -1.570 1
1 1410 . 6 2 2 B 28 28 LEU CB C 126 42.252 41.947 0.305 1
1 1414 . 6 2 2 B 28 28 LEU N N 126 120.818 121.213 -0.395 1
1 1415 . 6 2 2 B 29 29 LYS H H 127 7.944 8.249 -0.305 1
1 1416 . 6 2 2 B 29 29 LYS HA H 127 4.270 4.006 0.264 1
1 1425 . 6 2 2 B 29 29 LYS C C 127 176.951 175.988 0.963 1
1 1426 . 6 2 2 B 29 29 LYS CA C 127 57.168 59.356 -2.188 1
1 1427 . 6 2 2 B 29 29 LYS CB C 127 32.755 32.417 0.338 1
1 1431 . 6 2 2 B 29 29 LYS N N 127 119.960 119.714 0.246 1
1 1432 . 6 2 2 B 30 30 SER H H 128 8.030 7.628 0.402 1
1 1433 . 6 2 2 B 30 30 SER HA H 128 4.466 4.767 -0.301 1
1 1436 . 6 2 2 B 30 30 SER C C 128 176.101 174.065 2.036 1
1 1437 . 6 2 2 B 30 30 SER CA C 128 58.590 56.365 2.225 1
1 1438 . 6 2 2 B 30 30 SER CB C 128 63.939 65.627 -1.688 1
1 1439 . 6 2 2 B 30 30 SER N N 128 115.496 109.528 5.968 1
1 1440 . 6 2 2 B 31 31 GLU H H 129 8.157 8.829 -0.672 1
1 1441 . 6 2 2 B 31 31 GLU HA H 129 4.291 3.990 0.301 1
1 1446 . 6 2 2 B 31 31 GLU C C 129 175.112 174.573 0.539 1
1 1447 . 6 2 2 B 31 31 GLU CA C 129 56.654 58.119 -1.465 1
1 1448 . 6 2 2 B 31 31 GLU CB C 129 30.389 28.118 2.271 1
1 1450 . 6 2 2 B 31 31 GLU N N 129 122.569 117.565 5.004 1
1 1 . 7 1 1 A 2 2 VAL H H 2 7.944 7.873 0.071 1
1 2 . 7 1 1 A 2 2 VAL HA H 2 4.035 4.585 -0.550 1
1 10 . 7 1 1 A 2 2 VAL C C 2 174.807 175.735 -0.928 1
1 11 . 7 1 1 A 2 2 VAL CA C 2 61.947 59.496 2.451 1
1 12 . 7 1 1 A 2 2 VAL CB C 2 33.175 34.170 -0.995 1
1 15 . 7 1 1 A 2 2 VAL N N 2 123.960 116.125 7.835 1
1 16 . 7 1 1 A 3 3 GLU H H 3 8.465 8.749 -0.284 1
1 17 . 7 1 1 A 3 3 GLU HA H 3 4.168 4.460 -0.292 1
1 22 . 7 1 1 A 3 3 GLU C C 3 175.888 177.086 -1.198 1
1 23 . 7 1 1 A 3 3 GLU CA C 3 56.487 58.375 -1.888 1
1 24 . 7 1 1 A 3 3 GLU CB C 3 30.349 31.288 -0.939 1
1 26 . 7 1 1 A 3 3 GLU N N 3 125.549 122.290 3.259 1
1 27 . 7 1 1 A 4 4 PHE H H 4 8.330 7.752 0.578 1
1 28 . 7 1 1 A 4 4 PHE HA H 4 4.651 4.859 -0.208 1
1 36 . 7 1 1 A 4 4 PHE C C 4 175.550 174.178 1.372 1
1 37 . 7 1 1 A 4 4 PHE CA C 4 57.827 56.598 1.229 1
1 38 . 7 1 1 A 4 4 PHE CB C 4 39.623 40.524 -0.901 1
1 44 . 7 1 1 A 4 4 PHE N N 4 121.869 119.296 2.573 1
1 45 . 7 1 1 A 5 5 SER H H 5 8.177 8.900 -0.723 1
1 46 . 7 1 1 A 5 5 SER HA H 5 4.395 4.788 -0.393 1
1 49 . 7 1 1 A 5 5 SER C C 5 173.996 174.460 -0.464 1
1 50 . 7 1 1 A 5 5 SER CA C 5 58.045 56.840 1.205 1
1 51 . 7 1 1 A 5 5 SER CB C 5 64.050 63.760 0.290 1
1 52 . 7 1 1 A 5 5 SER N N 5 117.865 123.443 -5.578 1
1 53 . 7 1 1 A 6 6 GLU H H 6 8.425 7.576 0.849 1
1 54 . 7 1 1 A 6 6 GLU HA H 6 4.290 4.125 0.165 1
1 59 . 7 1 1 A 6 6 GLU C C 6 176.699 176.838 -0.139 1
1 60 . 7 1 1 A 6 6 GLU CA C 6 56.479 57.201 -0.722 1
1 61 . 7 1 1 A 6 6 GLU CB C 6 30.715 29.533 1.182 1
1 63 . 7 1 1 A 6 6 GLU N N 6 122.791 121.773 1.018 1
1 64 . 7 1 1 A 7 7 GLU H H 7 8.421 7.880 0.541 1
1 65 . 7 1 1 A 7 7 GLU HA H 7 4.742 4.412 0.330 1
1 70 . 7 1 1 A 7 7 GLU C C 7 175.145 175.688 -0.543 1
1 71 . 7 1 1 A 7 7 GLU CA C 7 55.617 55.508 0.109 1
1 72 . 7 1 1 A 7 7 GLU CB C 7 29.095 29.316 -0.221 1
1 74 . 7 1 1 A 7 7 GLU N N 7 122.775 116.040 6.735 1
1 75 . 7 1 1 A 8 8 CYS H H 8 7.917 8.492 -0.575 1
1 76 . 7 1 1 A 8 8 CYS HA H 8 4.969 5.439 -0.470 1
1 79 . 7 1 1 A 8 8 CYS C C 8 171.610 172.260 -0.650 1
1 80 . 7 1 1 A 8 8 CYS CA C 8 53.880 53.621 0.259 1
1 81 . 7 1 1 A 8 8 CYS CB C 8 43.144 45.856 -2.712 1
1 82 . 7 1 1 A 8 8 CYS N N 8 115.067 118.191 -3.124 1
1 83 . 7 1 1 A 9 9 MET H H 9 9.379 9.104 0.275 1
1 84 . 7 1 1 A 9 9 MET HA H 9 5.049 4.726 0.323 1
1 89 . 7 1 1 A 9 9 MET C C 9 174.038 175.373 -1.335 1
1 90 . 7 1 1 A 9 9 MET CA C 9 53.312 54.205 -0.893 1
1 91 . 7 1 1 A 9 9 MET CB C 9 36.165 33.662 2.503 1
1 93 . 7 1 1 A 9 9 MET N N 9 117.763 120.974 -3.211 1
1 94 . 7 1 1 A 10 10 HIS H H 10 9.610 8.584 1.026 1
1 95 . 7 1 1 A 10 10 HIS HA H 10 4.877 4.859 0.018 1
1 102 . 7 1 1 A 10 10 HIS C C 10 176.698 175.698 1.000 1
1 103 . 7 1 1 A 10 10 HIS CA C 10 55.016 55.293 -0.277 1
1 104 . 7 1 1 A 10 10 HIS CB C 10 31.116 29.473 1.643 1
1 107 . 7 1 1 A 10 10 HIS N N 10 124.293 121.396 2.897 1
1 108 . 7 1 1 A 11 11 GLY H H 11 9.249 8.665 0.584 1
1 109 . 7 1 1 A 11 11 GLY HA2 H 11 4.104 3.809 0.295 1
1 110 . 7 1 1 A 11 11 GLY HA3 H 11 3.843 3.826 0.017 1
1 111 . 7 1 1 A 11 11 GLY C C 11 174.559 175.232 -0.673 1
1 112 . 7 1 1 A 11 11 GLY CA C 11 47.652 47.363 0.289 1
1 113 . 7 1 1 A 11 11 GLY N N 11 115.224 114.951 0.273 1
1 114 . 7 1 1 A 12 12 SER H H 12 8.999 8.713 0.286 1
1 115 . 7 1 1 A 12 12 SER HA H 12 4.653 4.677 -0.024 1
1 118 . 7 1 1 A 12 12 SER C C 12 176.178 174.916 1.262 1
1 119 . 7 1 1 A 12 12 SER CA C 12 57.731 59.694 -1.963 1
1 120 . 7 1 1 A 12 12 SER CB C 12 63.439 63.614 -0.175 1
1 121 . 7 1 1 A 12 12 SER N N 12 121.965 121.865 0.100 1
1 122 . 7 1 1 A 13 13 GLY H H 13 9.022 7.702 1.320 1
1 123 . 7 1 1 A 13 13 GLY HA2 H 13 4.052 3.975 0.077 1
1 124 . 7 1 1 A 13 13 GLY HA3 H 13 3.957 4.005 -0.048 1
1 125 . 7 1 1 A 13 13 GLY C C 13 176.178 175.304 0.874 1
1 126 . 7 1 1 A 13 13 GLY CA C 13 47.972 45.677 2.295 1
1 127 . 7 1 1 A 13 13 GLY N N 13 109.294 108.985 0.309 1
1 128 . 7 1 1 A 14 14 GLU H H 14 9.552 8.565 0.987 1
1 129 . 7 1 1 A 14 14 GLU HA H 14 4.347 4.068 0.279 1
1 134 . 7 1 1 A 14 14 GLU C C 14 177.045 177.977 -0.932 1
1 135 . 7 1 1 A 14 14 GLU CA C 14 60.282 59.301 0.981 1
1 136 . 7 1 1 A 14 14 GLU CB C 14 29.145 29.326 -0.181 1
1 138 . 7 1 1 A 14 14 GLU N N 14 123.736 120.396 3.340 1
1 139 . 7 1 1 A 15 15 ASN H H 15 8.425 7.905 0.520 1
1 140 . 7 1 1 A 15 15 ASN HA H 15 5.030 4.741 0.289 1
1 144 . 7 1 1 A 15 15 ASN C C 15 174.848 174.982 -0.134 1
1 145 . 7 1 1 A 15 15 ASN CA C 15 51.725 53.645 -1.920 1
1 146 . 7 1 1 A 15 15 ASN CB C 15 38.404 38.665 -0.261 1
1 147 . 7 1 1 A 15 15 ASN N N 15 112.918 118.054 -5.136 1
1 150 . 7 1 1 A 16 16 TYR H H 16 7.622 7.689 -0.067 1
1 151 . 7 1 1 A 16 16 TYR HA H 16 4.445 4.689 -0.244 1
1 159 . 7 1 1 A 16 16 TYR C C 16 175.773 175.777 -0.004 1
1 160 . 7 1 1 A 16 16 TYR CA C 16 60.125 57.672 2.453 1
1 161 . 7 1 1 A 16 16 TYR CB C 16 38.590 38.267 0.323 1
1 166 . 7 1 1 A 16 16 TYR N N 16 121.437 121.642 -0.205 1
1 167 . 7 1 1 A 17 17 ASP H H 17 8.722 8.329 0.393 1
1 168 . 7 1 1 A 17 17 ASP HA H 17 4.599 4.868 -0.269 1
1 171 . 7 1 1 A 17 17 ASP C C 17 175.748 176.216 -0.468 1
1 172 . 7 1 1 A 17 17 ASP CA C 17 52.327 52.936 -0.609 1
1 173 . 7 1 1 A 17 17 ASP CB C 17 42.265 40.240 2.025 1
1 174 . 7 1 1 A 17 17 ASP N N 17 130.345 125.818 4.527 1
1 175 . 7 1 1 A 18 18 GLY H H 18 4.504 6.851 -2.347 1
1 176 . 7 1 1 A 18 18 GLY HA2 H 18 4.092 3.297 0.795 1
1 177 . 7 1 1 A 18 18 GLY HA3 H 18 3.786 3.755 0.031 1
1 178 . 7 1 1 A 18 18 GLY C C 18 174.732 173.991 0.741 1
1 179 . 7 1 1 A 18 18 GLY CA C 18 44.739 44.104 0.635 1
1 180 . 7 1 1 A 18 18 GLY N N 18 104.445 108.335 -3.890 1
1 181 . 7 1 1 A 19 19 LYS H H 19 9.272 8.366 0.906 1
1 182 . 7 1 1 A 19 19 LYS HA H 19 3.248 3.026 0.222 1
1 191 . 7 1 1 A 19 19 LYS C C 19 176.409 175.675 0.734 1
1 192 . 7 1 1 A 19 19 LYS CA C 19 55.454 54.930 0.524 1
1 193 . 7 1 1 A 19 19 LYS CB C 19 32.499 31.734 0.765 1
1 197 . 7 1 1 A 19 19 LYS N N 19 117.569 118.190 -0.621 1
1 198 . 7 1 1 A 20 20 ILE H H 20 7.559 7.072 0.487 1
1 199 . 7 1 1 A 20 20 ILE HA H 20 3.991 4.115 -0.124 1
1 209 . 7 1 1 A 20 20 ILE C C 20 176.756 175.963 0.793 1
1 210 . 7 1 1 A 20 20 ILE CA C 20 64.261 62.457 1.804 1
1 211 . 7 1 1 A 20 20 ILE CB C 20 36.212 38.299 -2.087 1
1 215 . 7 1 1 A 20 20 ILE N N 20 122.778 123.347 -0.569 1
1 216 . 7 1 1 A 21 21 SER H H 21 8.817 8.962 -0.145 1
1 217 . 7 1 1 A 21 21 SER HA H 21 5.128 5.221 -0.093 1
1 220 . 7 1 1 A 21 21 SER C C 21 172.708 173.873 -1.165 1
1 221 . 7 1 1 A 21 21 SER CA C 21 57.513 57.349 0.164 1
1 222 . 7 1 1 A 21 21 SER CB C 21 65.126 64.261 0.865 1
1 223 . 7 1 1 A 21 21 SER N N 21 122.859 121.303 1.556 1
1 224 . 7 1 1 A 22 22 LYS H H 22 7.150 7.722 -0.572 1
1 225 . 7 1 1 A 22 22 LYS HA H 22 5.530 5.178 0.352 1
1 234 . 7 1 1 A 22 22 LYS C C 22 176.120 175.970 0.150 1
1 235 . 7 1 1 A 22 22 LYS CA C 22 53.471 54.729 -1.258 1
1 236 . 7 1 1 A 22 22 LYS CB C 22 37.049 37.352 -0.303 1
1 240 . 7 1 1 A 22 22 LYS N N 22 119.681 120.892 -1.211 1
1 241 . 7 1 1 A 23 23 THR H H 23 9.134 8.537 0.597 1
1 242 . 7 1 1 A 23 23 THR HA H 23 4.630 4.781 -0.151 1
1 248 . 7 1 1 A 23 23 THR C C 23 177.971 176.067 1.904 1
1 249 . 7 1 1 A 23 23 THR CA C 23 61.032 60.613 0.419 1
1 250 . 7 1 1 A 23 23 THR CB C 23 70.818 71.713 -0.895 1
1 252 . 7 1 1 A 23 23 THR N N 23 111.072 113.361 -2.289 1
1 253 . 7 1 1 A 24 24 MET H H 24 9.383 9.259 0.124 1
1 254 . 7 1 1 A 24 24 MET HA H 24 4.168 4.249 -0.081 1
1 259 . 7 1 1 A 24 24 MET C C 24 176.122 177.648 -1.526 1
1 260 . 7 1 1 A 24 24 MET CA C 24 58.704 57.709 0.995 1
1 261 . 7 1 1 A 24 24 MET CB C 24 32.546 32.354 0.192 1
1 263 . 7 1 1 A 24 24 MET N N 24 118.120 119.868 -1.748 1
1 264 . 7 1 1 A 25 25 SER H H 25 7.763 8.165 -0.402 1
1 265 . 7 1 1 A 25 25 SER HA H 25 4.575 4.553 0.022 1
1 269 . 7 1 1 A 25 25 SER C C 25 174.848 174.727 0.121 1
1 270 . 7 1 1 A 25 25 SER CA C 25 58.895 58.512 0.383 1
1 271 . 7 1 1 A 25 25 SER CB C 25 62.844 63.613 -0.769 1
1 272 . 7 1 1 A 25 25 SER N N 25 113.626 113.620 0.006 1
1 273 . 7 1 1 A 26 26 GLY H H 26 8.136 8.190 -0.054 1
1 274 . 7 1 1 A 26 26 GLY HA2 H 26 4.305 3.919 0.386 1
1 275 . 7 1 1 A 26 26 GLY HA3 H 26 3.503 3.927 -0.424 1
1 276 . 7 1 1 A 26 26 GLY C C 26 174.212 174.946 -0.734 1
1 277 . 7 1 1 A 26 26 GLY CA C 26 45.125 45.573 -0.448 1
1 278 . 7 1 1 A 26 26 GLY N N 26 110.819 109.707 1.112 1
1 279 . 7 1 1 A 27 27 LEU H H 27 7.183 8.019 -0.836 1
1 280 . 7 1 1 A 27 27 LEU HA H 27 4.319 4.421 -0.102 1
1 290 . 7 1 1 A 27 27 LEU C C 27 176.178 176.635 -0.457 1
1 291 . 7 1 1 A 27 27 LEU CA C 27 54.211 54.804 -0.593 1
1 292 . 7 1 1 A 27 27 LEU CB C 27 42.260 42.597 -0.337 1
1 296 . 7 1 1 A 27 27 LEU N N 27 120.765 121.723 -0.958 1
1 297 . 7 1 1 A 28 28 GLU H H 28 8.699 8.606 0.093 1
1 298 . 7 1 1 A 28 28 GLU HA H 28 4.506 4.401 0.105 1
1 303 . 7 1 1 A 28 28 GLU C C 28 177.161 176.266 0.895 1
1 304 . 7 1 1 A 28 28 GLU CA C 28 56.451 56.687 -0.236 1
1 305 . 7 1 1 A 28 28 GLU CB C 28 30.018 30.023 -0.005 1
1 307 . 7 1 1 A 28 28 GLU N N 28 122.582 120.941 1.641 1
1 308 . 7 1 1 A 29 29 CYS H H 29 8.624 8.627 -0.003 1
1 309 . 7 1 1 A 29 29 CYS HA H 29 4.812 5.453 -0.641 1
1 312 . 7 1 1 A 29 29 CYS C C 29 177.045 172.749 4.296 1
1 313 . 7 1 1 A 29 29 CYS CA C 29 55.189 54.999 0.190 1
1 314 . 7 1 1 A 29 29 CYS CB C 29 37.938 44.129 -6.191 1
1 315 . 7 1 1 A 29 29 CYS N N 29 125.564 125.852 -0.288 1
1 316 . 7 1 1 A 30 30 GLN H H 30 9.664 9.139 0.525 1
1 317 . 7 1 1 A 30 30 GLN HA H 30 3.841 4.762 -0.921 1
1 324 . 7 1 1 A 30 30 GLN C C 30 175.310 175.859 -0.549 1
1 325 . 7 1 1 A 30 30 GLN CA C 30 55.501 54.350 1.151 1
1 326 . 7 1 1 A 30 30 GLN CB C 30 29.943 30.630 -0.687 1
1 328 . 7 1 1 A 30 30 GLN N N 30 127.687 125.346 2.341 1
1 330 . 7 1 1 A 31 31 ALA H H 31 8.728 8.881 -0.153 1
1 331 . 7 1 1 A 31 31 ALA HA H 31 4.052 4.772 -0.720 1
1 335 . 7 1 1 A 31 31 ALA C C 31 178.722 178.486 0.236 1
1 336 . 7 1 1 A 31 31 ALA CA C 31 52.327 52.865 -0.538 1
1 337 . 7 1 1 A 31 31 ALA CB C 31 18.034 19.118 -1.084 1
1 338 . 7 1 1 A 31 31 ALA N N 31 128.680 128.597 0.083 1
1 339 . 7 1 1 A 32 32 TRP H H 32 7.703 8.758 -1.055 1
1 340 . 7 1 1 A 32 32 TRP HA H 32 4.244 4.411 -0.167 1
1 349 . 7 1 1 A 32 32 TRP C C 32 177.566 178.488 -0.922 1
1 350 . 7 1 1 A 32 32 TRP CA C 32 59.531 60.157 -0.626 1
1 351 . 7 1 1 A 32 32 TRP CB C 32 29.953 29.267 0.686 1
1 357 . 7 1 1 A 32 32 TRP N N 32 123.505 124.305 -0.800 1
1 359 . 7 1 1 A 33 33 ASP H H 33 8.797 8.019 0.778 1
1 360 . 7 1 1 A 33 33 ASP HA H 33 4.634 4.669 -0.035 1
1 363 . 7 1 1 A 33 33 ASP C C 33 175.831 176.047 -0.216 1
1 364 . 7 1 1 A 33 33 ASP CA C 33 54.398 56.275 -1.877 1
1 365 . 7 1 1 A 33 33 ASP CB C 33 40.707 41.320 -0.613 1
1 366 . 7 1 1 A 33 33 ASP N N 33 113.424 120.763 -7.339 1
1 367 . 7 1 1 A 34 34 SER H H 34 8.039 7.715 0.324 1
1 368 . 7 1 1 A 34 34 SER HA H 34 4.737 4.587 0.150 1
1 372 . 7 1 1 A 34 34 SER C C 34 174.096 174.235 -0.139 1
1 373 . 7 1 1 A 34 34 SER CA C 34 56.454 57.255 -0.801 1
1 374 . 7 1 1 A 34 34 SER CB C 34 65.137 64.468 0.669 1
1 375 . 7 1 1 A 34 34 SER N N 34 114.429 116.172 -1.743 1
1 376 . 7 1 1 A 35 35 GLN H H 35 8.387 8.970 -0.583 1
1 377 . 7 1 1 A 35 35 GLN HA H 35 4.426 4.099 0.327 1
1 384 . 7 1 1 A 35 35 GLN C C 35 173.518 175.375 -1.857 1
1 385 . 7 1 1 A 35 35 GLN CA C 35 54.020 55.440 -1.420 1
1 386 . 7 1 1 A 35 35 GLN CB C 35 28.804 29.241 -0.437 1
1 388 . 7 1 1 A 35 35 GLN N N 35 123.700 126.575 -2.875 1
1 390 . 7 1 1 A 36 36 SER H H 36 7.746 6.935 0.811 1
1 391 . 7 1 1 A 36 36 SER HA H 36 4.466 4.860 -0.394 1
1 395 . 7 1 1 A 36 36 SER C C 36 172.824 173.619 -0.795 1
1 396 . 7 1 1 A 36 36 SER CA C 36 54.749 55.094 -0.345 1
1 397 . 7 1 1 A 36 36 SER CB C 36 65.162 65.301 -0.139 1
1 398 . 7 1 1 A 36 36 SER N N 36 112.974 111.630 1.344 1
1 399 . 7 1 1 A 37 37 PRO HA H 37 4.382 4.469 -0.087 1
1 406 . 7 1 1 A 37 37 PRO C C 37 176.351 176.047 0.304 1
1 407 . 7 1 1 A 37 37 PRO CA C 37 64.110 64.127 -0.017 1
1 408 . 7 1 1 A 37 37 PRO CB C 37 33.670 31.978 1.692 1
1 411 . 7 1 1 A 38 38 HIS H H 38 8.764 7.511 1.253 1
1 412 . 7 1 1 A 38 38 HIS HA H 38 4.897 4.814 0.083 1
1 417 . 7 1 1 A 38 38 HIS C C 38 178.144 174.902 3.242 1
1 418 . 7 1 1 A 38 38 HIS CA C 38 55.580 55.027 0.553 1
1 419 . 7 1 1 A 38 38 HIS CB C 38 30.421 31.142 -0.721 1
1 422 . 7 1 1 A 38 38 HIS N N 38 122.516 117.278 5.238 1
1 423 . 7 1 1 A 39 39 ALA H H 39 8.673 8.508 0.165 1
1 424 . 7 1 1 A 39 39 ALA HA H 39 4.493 4.251 0.242 1
1 428 . 7 1 1 A 39 39 ALA C C 39 178.375 176.784 1.591 1
1 429 . 7 1 1 A 39 39 ALA CA C 39 51.440 52.136 -0.696 1
1 430 . 7 1 1 A 39 39 ALA CB C 39 18.980 19.808 -0.828 1
1 431 . 7 1 1 A 39 39 ALA N N 39 128.546 127.146 1.400 1
1 432 . 7 1 1 A 40 40 HIS H H 40 9.291 8.661 0.630 1
1 433 . 7 1 1 A 40 40 HIS HA H 40 4.734 5.333 -0.599 1
1 439 . 7 1 1 A 40 40 HIS C C 40 175.484 174.736 0.748 1
1 440 . 7 1 1 A 40 40 HIS CA C 40 56.141 54.098 2.043 1
1 441 . 7 1 1 A 40 40 HIS CB C 40 35.545 31.060 4.485 1
1 444 . 7 1 1 A 40 40 HIS N N 40 120.682 114.828 5.854 1
1 445 . 7 1 1 A 41 41 GLY H H 41 9.080 8.639 0.441 1
1 446 . 7 1 1 A 41 41 GLY HA2 H 41 4.602 4.109 0.493 1
1 447 . 7 1 1 A 41 41 GLY HA3 H 41 3.671 4.130 -0.459 1
1 448 . 7 1 1 A 41 41 GLY C C 41 176.409 174.300 2.109 1
1 449 . 7 1 1 A 41 41 GLY CA C 41 44.724 45.794 -1.070 1
1 450 . 7 1 1 A 41 41 GLY N N 41 106.159 108.032 -1.873 1
1 451 . 7 1 1 A 42 42 TYR H H 42 11.980 8.178 3.802 1
1 452 . 7 1 1 A 42 42 TYR HA H 42 4.616 5.009 -0.393 1
1 459 . 7 1 1 A 42 42 TYR C C 42 174.385 175.306 -0.921 1
1 460 . 7 1 1 A 42 42 TYR CA C 42 57.579 56.885 0.694 1
1 461 . 7 1 1 A 42 42 TYR CB C 42 36.198 36.452 -0.254 1
1 466 . 7 1 1 A 42 42 TYR N N 42 133.554 119.454 14.100 1
1 467 . 7 1 1 A 43 43 ILE H H 43 7.120 8.460 -1.340 1
1 468 . 7 1 1 A 43 43 ILE HA H 43 4.630 4.665 -0.035 1
1 478 . 7 1 1 A 43 43 ILE C C 43 177.219 176.186 1.033 1
1 479 . 7 1 1 A 43 43 ILE CA C 43 58.201 58.362 -0.161 1
1 480 . 7 1 1 A 43 43 ILE CB C 43 38.761 37.996 0.765 1
1 484 . 7 1 1 A 43 43 ILE N N 43 118.881 125.453 -6.572 1
1 485 . 7 1 1 A 44 44 PRO HA H 44 4.193 4.458 -0.265 1
1 492 . 7 1 1 A 44 44 PRO C C 44 178.780 177.669 1.111 1
1 493 . 7 1 1 A 44 44 PRO CA C 44 67.061 64.357 2.704 1
1 494 . 7 1 1 A 44 44 PRO CB C 44 32.267 31.878 0.389 1
1 497 . 7 1 1 A 45 45 SER H H 45 7.984 8.318 -0.334 1
1 498 . 7 1 1 A 45 45 SER HA H 45 4.087 4.267 -0.180 1
1 502 . 7 1 1 A 45 45 SER C C 45 176.004 175.763 0.241 1
1 503 . 7 1 1 A 45 45 SER CA C 45 60.161 61.027 -0.866 1
1 504 . 7 1 1 A 45 45 SER CB C 45 62.260 63.302 -1.042 1
1 505 . 7 1 1 A 45 45 SER N N 45 107.865 113.239 -5.374 1
1 506 . 7 1 1 A 46 46 LYS H H 46 7.769 7.807 -0.038 1
1 507 . 7 1 1 A 46 46 LYS HA H 46 3.965 4.172 -0.207 1
1 516 . 7 1 1 A 46 46 LYS C C 46 175.831 176.394 -0.563 1
1 517 . 7 1 1 A 46 46 LYS CA C 46 57.349 57.056 0.293 1
1 518 . 7 1 1 A 46 46 LYS CB C 46 33.283 33.117 0.166 1
1 522 . 7 1 1 A 46 46 LYS N N 46 121.944 116.956 4.988 1
1 523 . 7 1 1 A 47 47 PHE H H 47 7.018 7.697 -0.679 1
1 524 . 7 1 1 A 47 47 PHE HA H 47 5.244 5.073 0.171 1
1 532 . 7 1 1 A 47 47 PHE C C 47 174.790 174.503 0.287 1
1 533 . 7 1 1 A 47 47 PHE CA C 47 54.142 54.656 -0.514 1
1 534 . 7 1 1 A 47 47 PHE CB C 47 39.434 38.747 0.687 1
1 539 . 7 1 1 A 47 47 PHE N N 47 115.480 119.246 -3.766 1
1 540 . 7 1 1 A 48 48 PRO HA H 48 4.472 4.596 -0.124 1
1 547 . 7 1 1 A 48 48 PRO C C 48 177.681 177.878 -0.197 1
1 548 . 7 1 1 A 48 48 PRO CA C 48 65.513 64.624 0.889 1
1 549 . 7 1 1 A 48 48 PRO CB C 48 31.712 31.889 -0.177 1
1 552 . 7 1 1 A 49 49 ASN H H 49 8.559 8.915 -0.356 1
1 553 . 7 1 1 A 49 49 ASN HA H 49 4.818 4.460 0.358 1
1 558 . 7 1 1 A 49 49 ASN C C 49 175.715 176.736 -1.021 1
1 559 . 7 1 1 A 49 49 ASN CA C 49 53.372 55.428 -2.056 1
1 560 . 7 1 1 A 49 49 ASN CB C 49 37.351 37.198 0.153 1
1 561 . 7 1 1 A 49 49 ASN N N 49 114.836 115.938 -1.102 1
1 563 . 7 1 1 A 50 50 LYS H H 50 7.627 7.516 0.111 1
1 564 . 7 1 1 A 50 50 LYS HA H 50 4.480 4.342 0.138 1
1 573 . 7 1 1 A 50 50 LYS C C 50 175.079 175.578 -0.499 1
1 574 . 7 1 1 A 50 50 LYS CA C 50 53.336 55.646 -2.310 1
1 575 . 7 1 1 A 50 50 LYS CB C 50 31.284 31.966 -0.682 1
1 579 . 7 1 1 A 50 50 LYS N N 50 116.224 117.121 -0.897 1
1 580 . 7 1 1 A 51 51 ASN H H 51 7.945 8.065 -0.120 1
1 581 . 7 1 1 A 51 51 ASN HA H 51 4.304 4.364 -0.060 1
1 586 . 7 1 1 A 51 51 ASN C C 51 175.195 174.179 1.016 1
1 587 . 7 1 1 A 51 51 ASN CA C 51 54.089 53.915 0.174 1
1 588 . 7 1 1 A 51 51 ASN CB C 51 36.504 36.826 -0.322 1
1 589 . 7 1 1 A 51 51 ASN N N 51 115.331 116.757 -1.426 1
1 591 . 7 1 1 A 52 52 LEU H H 52 8.803 7.935 0.868 1
1 592 . 7 1 1 A 52 52 LEU HA H 52 3.412 3.939 -0.527 1
1 602 . 7 1 1 A 52 52 LEU C C 52 174.674 175.783 -1.109 1
1 603 . 7 1 1 A 52 52 LEU CA C 52 53.983 54.288 -0.305 1
1 604 . 7 1 1 A 52 52 LEU CB C 52 42.471 39.985 2.486 1
1 608 . 7 1 1 A 52 52 LEU N N 52 121.765 119.642 2.123 1
1 609 . 7 1 1 A 53 53 LYS H H 53 7.099 8.179 -1.080 1
1 610 . 7 1 1 A 53 53 LYS HA H 53 4.324 4.698 -0.374 1
1 619 . 7 1 1 A 53 53 LYS C C 53 173.460 176.657 -3.197 1
1 620 . 7 1 1 A 53 53 LYS CA C 53 54.843 54.686 0.157 1
1 621 . 7 1 1 A 53 53 LYS CB C 53 36.395 34.690 1.705 1
1 625 . 7 1 1 A 53 53 LYS N N 53 124.403 124.193 0.210 1
1 626 . 7 1 1 A 54 54 LYS H H 54 8.805 8.909 -0.104 1
1 627 . 7 1 1 A 54 54 LYS HA H 54 3.692 3.843 -0.151 1
1 636 . 7 1 1 A 54 54 LYS C C 54 173.344 176.038 -2.694 1
1 637 . 7 1 1 A 54 54 LYS CA C 54 56.366 57.760 -1.394 1
1 638 . 7 1 1 A 54 54 LYS CB C 54 29.830 30.447 -0.617 1
1 642 . 7 1 1 A 54 54 LYS N N 54 118.125 117.519 0.606 1
1 643 . 7 1 1 A 55 55 ASN H H 55 7.567 8.510 -0.943 1
1 644 . 7 1 1 A 55 55 ASN HA H 55 4.643 4.696 -0.053 1
1 649 . 7 1 1 A 55 55 ASN C C 55 172.188 175.270 -3.082 1
1 650 . 7 1 1 A 55 55 ASN CA C 55 51.091 51.767 -0.676 1
1 651 . 7 1 1 A 55 55 ASN CB C 55 37.234 37.394 -0.160 1
1 652 . 7 1 1 A 55 55 ASN N N 55 123.893 121.718 2.175 1
1 654 . 7 1 1 A 56 56 TYR H H 56 7.584 7.713 -0.129 1
1 655 . 7 1 1 A 56 56 TYR HA H 56 4.892 5.257 -0.365 1
1 662 . 7 1 1 A 56 56 TYR C C 56 177.276 176.129 1.147 1
1 663 . 7 1 1 A 56 56 TYR CA C 56 54.447 58.222 -3.775 1
1 664 . 7 1 1 A 56 56 TYR CB C 56 38.633 39.529 -0.896 1
1 669 . 7 1 1 A 56 56 TYR N N 56 115.237 120.198 -4.961 1
1 670 . 7 1 1 A 57 57 CYS H H 57 9.149 8.623 0.526 1
1 671 . 7 1 1 A 57 57 CYS HA H 57 4.398 4.841 -0.443 1
1 674 . 7 1 1 A 57 57 CYS C C 57 175.600 174.613 0.987 1
1 675 . 7 1 1 A 57 57 CYS CA C 57 59.824 56.690 3.134 1
1 676 . 7 1 1 A 57 57 CYS CB C 57 48.356 42.356 6.000 1
1 677 . 7 1 1 A 57 57 CYS N N 57 119.273 122.121 -2.848 1
1 678 . 7 1 1 A 58 58 ARG H H 58 9.138 8.834 0.304 1
1 679 . 7 1 1 A 58 58 ARG HA H 58 4.918 5.208 -0.290 1
1 687 . 7 1 1 A 58 58 ARG C C 58 173.576 174.532 -0.956 1
1 688 . 7 1 1 A 58 58 ARG CA C 58 53.187 54.385 -1.198 1
1 689 . 7 1 1 A 58 58 ARG CB C 58 29.412 34.564 -5.152 1
1 692 . 7 1 1 A 58 58 ARG N N 58 122.881 124.935 -2.054 1
1 694 . 7 1 1 A 59 59 ASN H H 59 8.868 8.638 0.230 1
1 695 . 7 1 1 A 59 59 ASN HA H 59 5.513 5.076 0.437 1
1 700 . 7 1 1 A 59 59 ASN C C 59 172.824 174.314 -1.490 1
1 701 . 7 1 1 A 59 59 ASN CA C 59 53.176 50.216 2.960 1
1 702 . 7 1 1 A 59 59 ASN CB C 59 37.237 39.210 -1.973 1
1 703 . 7 1 1 A 59 59 ASN N N 59 113.603 119.293 -5.690 1
1 705 . 7 1 1 A 60 60 PRO HA H 60 4.712 4.232 0.480 1
1 712 . 7 1 1 A 60 60 PRO C C 60 175.715 177.533 -1.818 1
1 713 . 7 1 1 A 60 60 PRO CA C 60 63.643 64.088 -0.445 1
1 714 . 7 1 1 A 60 60 PRO CB C 60 32.507 31.401 1.106 1
1 717 . 7 1 1 A 61 61 ASP H H 61 8.883 7.780 1.103 1
1 718 . 7 1 1 A 61 61 ASP HA H 61 4.495 4.358 0.137 1
1 721 . 7 1 1 A 61 61 ASP C C 61 174.848 175.103 -0.255 1
1 722 . 7 1 1 A 61 61 ASP CA C 61 51.953 52.876 -0.923 1
1 723 . 7 1 1 A 61 61 ASP CB C 61 42.092 39.704 2.388 1
1 724 . 7 1 1 A 61 61 ASP N N 61 118.660 116.046 2.614 1
1 725 . 7 1 1 A 62 62 ARG H H 62 8.395 7.542 0.853 1
1 726 . 7 1 1 A 62 62 ARG HA H 62 3.789 4.077 -0.288 1
1 734 . 7 1 1 A 62 62 ARG C C 62 176.236 174.612 1.624 1
1 735 . 7 1 1 A 62 62 ARG CA C 62 57.318 56.875 0.443 1
1 736 . 7 1 1 A 62 62 ARG CB C 62 26.990 27.492 -0.502 1
1 739 . 7 1 1 A 62 62 ARG N N 62 116.013 115.011 1.002 1
1 741 . 7 1 1 A 63 63 ASP H H 63 9.735 8.066 1.669 1
1 742 . 7 1 1 A 63 63 ASP HA H 63 4.769 4.722 0.047 1
1 745 . 7 1 1 A 63 63 ASP C C 63 177.334 176.286 1.048 1
1 746 . 7 1 1 A 63 63 ASP CA C 63 51.973 52.605 -0.632 1
1 747 . 7 1 1 A 63 63 ASP CB C 63 42.698 43.075 -0.377 1
1 748 . 7 1 1 A 63 63 ASP N N 63 121.799 117.794 4.005 1
1 749 . 7 1 1 A 64 64 LEU H H 64 10.919 8.704 2.215 1
1 750 . 7 1 1 A 64 64 LEU HA H 64 3.995 4.385 -0.390 1
1 760 . 7 1 1 A 64 64 LEU C C 64 176.467 176.926 -0.459 1
1 761 . 7 1 1 A 64 64 LEU CA C 64 57.772 56.329 1.443 1
1 762 . 7 1 1 A 64 64 LEU CB C 64 43.630 42.818 0.812 1
1 766 . 7 1 1 A 64 64 LEU N N 64 121.789 121.942 -0.153 1
1 767 . 7 1 1 A 65 65 ARG H H 65 7.633 7.935 -0.302 1
1 768 . 7 1 1 A 65 65 ARG HA H 65 5.006 4.932 0.074 1
1 776 . 7 1 1 A 65 65 ARG C C 65 172.130 174.242 -2.112 1
1 777 . 7 1 1 A 65 65 ARG CA C 65 53.368 53.356 0.012 1
1 778 . 7 1 1 A 65 65 ARG CB C 65 28.429 33.889 -5.460 1
1 781 . 7 1 1 A 65 65 ARG N N 65 108.790 117.507 -8.717 1
1 783 . 7 1 1 A 66 66 PRO HA H 66 4.281 4.848 -0.567 1
1 790 . 7 1 1 A 66 66 PRO C C 66 172.940 176.354 -3.414 1
1 791 . 7 1 1 A 66 66 PRO CA C 66 63.677 63.217 0.460 1
1 792 . 7 1 1 A 66 66 PRO CB C 66 32.592 32.955 -0.363 1
1 795 . 7 1 1 A 67 67 TRP H H 67 8.716 8.879 -0.163 1
1 796 . 7 1 1 A 67 67 TRP HA H 67 5.406 5.394 0.012 1
1 805 . 7 1 1 A 67 67 TRP C C 67 172.919 173.944 -1.025 1
1 806 . 7 1 1 A 67 67 TRP CA C 67 56.035 55.647 0.388 1
1 807 . 7 1 1 A 67 67 TRP CB C 67 34.026 31.617 2.409 1
1 813 . 7 1 1 A 67 67 TRP N N 67 121.250 118.487 2.763 1
1 815 . 7 1 1 A 68 68 CYS H H 68 8.384 9.116 -0.732 1
1 816 . 7 1 1 A 68 68 CYS HA H 68 4.265 4.757 -0.492 1
1 819 . 7 1 1 A 68 68 CYS C C 68 175.079 171.977 3.102 1
1 820 . 7 1 1 A 68 68 CYS CA C 68 55.876 54.459 1.417 1
1 821 . 7 1 1 A 68 68 CYS CB C 68 42.232 45.578 -3.346 1
1 822 . 7 1 1 A 68 68 CYS N N 68 109.624 117.569 -7.945 1
1 823 . 7 1 1 A 69 69 PHE H H 69 8.031 8.570 -0.539 1
1 824 . 7 1 1 A 69 69 PHE HA H 69 5.420 5.191 0.229 1
1 832 . 7 1 1 A 69 69 PHE C C 69 176.814 175.541 1.273 1
1 833 . 7 1 1 A 69 69 PHE CA C 69 59.299 57.397 1.902 1
1 834 . 7 1 1 A 69 69 PHE CB C 69 38.411 40.960 -2.549 1
1 840 . 7 1 1 A 69 69 PHE N N 69 120.433 119.183 1.250 1
1 841 . 7 1 1 A 70 70 THR H H 70 8.002 8.482 -0.480 1
1 842 . 7 1 1 A 70 70 THR HA H 70 5.408 5.182 0.226 1
1 848 . 7 1 1 A 70 70 THR C C 70 173.518 175.925 -2.407 1
1 849 . 7 1 1 A 70 70 THR CA C 70 61.208 59.990 1.218 1
1 850 . 7 1 1 A 70 70 THR CB C 70 70.441 70.700 -0.259 1
1 852 . 7 1 1 A 70 70 THR N N 70 112.351 113.797 -1.446 1
1 853 . 7 1 1 A 71 71 THR H H 71 8.126 9.298 -1.172 1
1 854 . 7 1 1 A 71 71 THR HA H 71 4.037 4.468 -0.431 1
1 860 . 7 1 1 A 71 71 THR C C 71 174.903 173.867 1.036 1
1 861 . 7 1 1 A 71 71 THR CA C 71 62.413 63.080 -0.667 1
1 862 . 7 1 1 A 71 71 THR CB C 71 69.167 69.263 -0.096 1
1 864 . 7 1 1 A 71 71 THR N N 71 104.863 117.465 -12.602 1
1 865 . 7 1 1 A 72 72 ASP H H 72 9.024 7.674 1.350 1
1 866 . 7 1 1 A 72 72 ASP HA H 72 4.936 4.753 0.183 1
1 869 . 7 1 1 A 72 72 ASP C C 72 176.929 176.302 0.627 1
1 870 . 7 1 1 A 72 72 ASP CA C 72 51.333 52.343 -1.010 1
1 871 . 7 1 1 A 72 72 ASP CB C 72 43.416 42.313 1.103 1
1 872 . 7 1 1 A 72 72 ASP N N 72 126.242 124.173 2.069 1
1 873 . 7 1 1 A 73 73 PRO HA H 73 3.962 4.394 -0.432 1
1 880 . 7 1 1 A 73 73 PRO C C 73 177.045 178.327 -1.282 1
1 881 . 7 1 1 A 73 73 PRO CA C 73 64.632 65.785 -1.153 1
1 882 . 7 1 1 A 73 73 PRO CB C 73 32.460 31.715 0.745 1
1 885 . 7 1 1 A 74 74 ASN H H 74 8.943 8.490 0.453 1
1 886 . 7 1 1 A 74 74 ASN HA H 74 4.854 4.714 0.140 1
1 891 . 7 1 1 A 74 74 ASN C C 74 174.443 175.224 -0.781 1
1 892 . 7 1 1 A 74 74 ASN CA C 74 53.380 53.996 -0.616 1
1 893 . 7 1 1 A 74 74 ASN CB C 74 39.333 37.977 1.356 1
1 894 . 7 1 1 A 74 74 ASN N N 74 114.144 113.573 0.571 1
1 896 . 7 1 1 A 75 75 LYS H H 75 7.795 7.294 0.501 1
1 897 . 7 1 1 A 75 75 LYS HA H 75 4.571 4.330 0.241 1
1 906 . 7 1 1 A 75 75 LYS C C 75 173.402 176.385 -2.983 1
1 907 . 7 1 1 A 75 75 LYS CA C 75 54.154 55.654 -1.500 1
1 908 . 7 1 1 A 75 75 LYS CB C 75 32.186 33.114 -0.928 1
1 912 . 7 1 1 A 75 75 LYS N N 75 122.835 120.676 2.159 1
1 913 . 7 1 1 A 76 76 ARG H H 76 9.132 8.811 0.321 1
1 914 . 7 1 1 A 76 76 ARG HA H 76 4.555 3.598 0.957 1
1 922 . 7 1 1 A 76 76 ARG C C 76 175.137 175.929 -0.792 1
1 923 . 7 1 1 A 76 76 ARG CA C 76 60.532 57.706 2.826 1
1 924 . 7 1 1 A 76 76 ARG CB C 76 29.307 31.509 -2.202 1
1 927 . 7 1 1 A 76 76 ARG N N 76 129.676 125.929 3.747 1
1 929 . 7 1 1 A 77 77 TRP H H 77 7.559 7.458 0.101 1
1 930 . 7 1 1 A 77 77 TRP HA H 77 5.357 4.995 0.362 1
1 939 . 7 1 1 A 77 77 TRP C C 77 172.940 174.076 -1.136 1
1 940 . 7 1 1 A 77 77 TRP CA C 77 55.044 55.714 -0.670 1
1 941 . 7 1 1 A 77 77 TRP CB C 77 31.951 31.042 0.909 1
1 947 . 7 1 1 A 77 77 TRP N N 77 109.174 114.317 -5.143 1
1 949 . 7 1 1 A 78 78 GLU H H 78 8.638 9.147 -0.509 1
1 950 . 7 1 1 A 78 78 GLU HA H 78 3.671 4.331 -0.660 1
1 955 . 7 1 1 A 78 78 GLU C C 78 174.501 174.975 -0.474 1
1 956 . 7 1 1 A 78 78 GLU CA C 78 55.659 55.496 0.163 1
1 957 . 7 1 1 A 78 78 GLU CB C 78 34.557 34.059 0.498 1
1 959 . 7 1 1 A 78 78 GLU N N 78 118.907 119.692 -0.785 1
1 960 . 7 1 1 A 79 79 TYR H H 79 7.636 8.758 -1.122 1
1 961 . 7 1 1 A 79 79 TYR HA H 79 4.995 5.039 -0.044 1
1 968 . 7 1 1 A 79 79 TYR C C 79 175.889 175.717 0.172 1
1 969 . 7 1 1 A 79 79 TYR CA C 79 60.120 58.887 1.233 1
1 970 . 7 1 1 A 79 79 TYR CB C 79 39.789 38.943 0.846 1
1 975 . 7 1 1 A 79 79 TYR N N 79 119.277 121.071 -1.794 1
1 976 . 7 1 1 A 80 80 CYS H H 80 9.398 9.047 0.351 1
1 977 . 7 1 1 A 80 80 CYS HA H 80 4.720 5.396 -0.676 1
1 980 . 7 1 1 A 80 80 CYS C C 80 172.419 171.847 0.572 1
1 981 . 7 1 1 A 80 80 CYS CA C 80 54.618 54.652 -0.034 1
1 982 . 7 1 1 A 80 80 CYS CB C 80 46.736 45.572 1.164 1
1 983 . 7 1 1 A 80 80 CYS N N 80 118.623 120.848 -2.225 1
1 984 . 7 1 1 A 81 81 ASP H H 81 9.729 9.013 0.716 1
1 985 . 7 1 1 A 81 81 ASP HA H 81 4.781 4.828 -0.047 1
1 988 . 7 1 1 A 81 81 ASP C C 81 173.576 174.752 -1.176 1
1 989 . 7 1 1 A 81 81 ASP CA C 81 52.855 53.151 -0.296 1
1 990 . 7 1 1 A 81 81 ASP CB C 81 40.733 40.852 -0.119 1
1 991 . 7 1 1 A 81 81 ASP N N 81 124.777 127.141 -2.364 1
1 992 . 7 1 1 A 82 82 ILE H H 82 7.820 7.947 -0.127 1
1 993 . 7 1 1 A 82 82 ILE HA H 82 4.320 4.509 -0.189 1
1 1003 . 7 1 1 A 82 82 ILE C C 82 173.923 173.743 0.180 1
1 1004 . 7 1 1 A 82 82 ILE CA C 82 56.118 57.244 -1.126 1
1 1005 . 7 1 1 A 82 82 ILE CB C 82 38.166 40.509 -2.343 1
1 1009 . 7 1 1 A 82 82 ILE N N 82 125.281 125.806 -0.525 1
1 1010 . 7 1 1 A 83 83 PRO HA H 83 4.337 4.379 -0.042 1
1 1017 . 7 1 1 A 83 83 PRO C C 83 175.167 175.996 -0.829 1
1 1018 . 7 1 1 A 83 83 PRO CA C 83 62.844 63.255 -0.411 1
1 1019 . 7 1 1 A 83 83 PRO CB C 83 32.450 32.142 0.308 1
1 1022 . 7 1 1 A 84 84 ARG H H 84 8.656 8.330 0.326 1
1 1023 . 7 1 1 A 84 84 ARG HA H 84 4.658 4.837 -0.179 1
1 1031 . 7 1 1 A 84 84 ARG C C 84 175.137 175.087 0.050 1
1 1032 . 7 1 1 A 84 84 ARG CA C 84 55.617 54.398 1.219 1
1 1033 . 7 1 1 A 84 84 ARG CB C 84 30.482 32.669 -2.187 1
1 1036 . 7 1 1 A 84 84 ARG N N 84 122.316 117.795 4.521 1
1 1038 . 7 1 1 A 85 85 CYS H H 85 8.783 9.200 -0.417 1
1 1039 . 7 1 1 A 85 85 CYS HA H 85 4.479 4.978 -0.499 1
1 1042 . 7 1 1 A 85 85 CYS C C 85 174.906 173.897 1.009 1
1 1043 . 7 1 1 A 85 85 CYS CA C 85 54.177 54.472 -0.295 1
1 1044 . 7 1 1 A 85 85 CYS CB C 85 39.574 45.176 -5.602 1
1 1045 . 7 1 1 A 85 85 CYS N N 85 124.002 120.567 3.435 1
1 1046 . 7 1 1 A 86 86 ALA H H 86 8.746 8.764 -0.018 1
1 1047 . 7 1 1 A 86 86 ALA HA H 86 4.255 4.172 0.083 1
1 1051 . 7 1 1 A 86 86 ALA C C 86 176.236 178.038 -1.802 1
1 1052 . 7 1 1 A 86 86 ALA CA C 86 53.067 54.889 -1.822 1
1 1053 . 7 1 1 A 86 86 ALA CB C 86 19.034 19.106 -0.072 1
1 1054 . 7 1 1 A 86 86 ALA N N 86 126.444 125.351 1.093 1
1 1064 . 7 2 2 B 2 2 SER HA H 100 4.570 4.937 -0.367 1
1 1067 . 7 2 2 B 2 2 SER C C 100 174.779 174.088 0.691 1
1 1068 . 7 2 2 B 2 2 SER CA C 100 58.624 56.487 2.137 1
1 1069 . 7 2 2 B 2 2 SER CB C 100 63.939 64.678 -0.739 1
1 1070 . 7 2 2 B 3 3 VAL H H 101 8.341 8.482 -0.141 1
1 1071 . 7 2 2 B 3 3 VAL HA H 101 4.151 3.638 0.513 1
1 1079 . 7 2 2 B 3 3 VAL C C 101 176.450 174.730 1.720 1
1 1080 . 7 2 2 B 3 3 VAL CA C 101 62.793 63.355 -0.562 1
1 1081 . 7 2 2 B 3 3 VAL CB C 101 32.495 29.684 2.811 1
1 1084 . 7 2 2 B 3 3 VAL N N 101 121.954 121.497 0.457 1
1 1085 . 7 2 2 B 4 4 GLU H H 102 8.521 7.877 0.644 1
1 1086 . 7 2 2 B 4 4 GLU HA H 102 4.291 4.476 -0.185 1
1 1091 . 7 2 2 B 4 4 GLU C C 102 176.450 175.995 0.455 1
1 1092 . 7 2 2 B 4 4 GLU CA C 102 56.955 55.643 1.312 1
1 1093 . 7 2 2 B 4 4 GLU CB C 102 30.233 28.197 2.036 1
1 1095 . 7 2 2 B 4 4 GLU N N 102 124.722 122.147 2.575 1
1 1096 . 7 2 2 B 5 5 LYS H H 103 8.323 8.692 -0.369 1
1 1097 . 7 2 2 B 5 5 LYS HA H 103 4.313 4.556 -0.243 1
1 1106 . 7 2 2 B 5 5 LYS C C 103 176.784 177.152 -0.368 1
1 1107 . 7 2 2 B 5 5 LYS CA C 103 56.688 57.252 -0.564 1
1 1108 . 7 2 2 B 5 5 LYS CB C 103 30.228 35.790 -5.562 1
1 1112 . 7 2 2 B 5 5 LYS N N 103 122.689 127.246 -4.557 1
1 1113 . 7 2 2 B 6 6 LEU H H 104 8.369 8.302 0.067 1
1 1114 . 7 2 2 B 6 6 LEU HA H 104 4.500 4.457 0.043 1
1 1124 . 7 2 2 B 6 6 LEU C C 104 177.632 175.118 2.514 1
1 1125 . 7 2 2 B 6 6 LEU CA C 104 55.480 54.363 1.117 1
1 1126 . 7 2 2 B 6 6 LEU CB C 104 42.587 41.278 1.309 1
1 1130 . 7 2 2 B 6 6 LEU N N 104 123.373 119.688 3.685 1
1 1131 . 7 2 2 B 7 7 THR HA H 105 4.558 4.644 -0.086 1
1 1137 . 7 2 2 B 7 7 THR C C 105 175.614 174.602 1.012 1
1 1138 . 7 2 2 B 7 7 THR CA C 105 62.000 61.057 0.943 1
1 1139 . 7 2 2 B 7 7 THR CB C 105 70.090 71.470 -1.380 1
1 1141 . 7 2 2 B 8 8 ALA H H 106 8.649 9.191 -0.542 1
1 1142 . 7 2 2 B 8 8 ALA HA H 106 4.458 4.062 0.396 1
1 1146 . 7 2 2 B 8 8 ALA C C 106 179.290 179.346 -0.056 1
1 1147 . 7 2 2 B 8 8 ALA CA C 106 55.552 55.724 -0.172 1
1 1148 . 7 2 2 B 8 8 ALA CB C 106 18.704 18.102 0.602 1
1 1149 . 7 2 2 B 8 8 ALA N N 106 124.857 127.439 -2.582 1
1 1150 . 7 2 2 B 9 9 ASP H H 107 8.286 8.215 0.071 1
1 1151 . 7 2 2 B 9 9 ASP HA H 107 4.457 4.430 0.027 1
1 1154 . 7 2 2 B 9 9 ASP C C 107 178.845 178.011 0.834 1
1 1155 . 7 2 2 B 9 9 ASP CA C 107 57.733 56.692 1.041 1
1 1156 . 7 2 2 B 9 9 ASP CB C 107 40.881 40.574 0.307 1
1 1157 . 7 2 2 B 9 9 ASP N N 107 115.621 119.036 -3.415 1
1 1158 . 7 2 2 B 10 10 ALA H H 108 7.887 7.891 -0.004 1
1 1159 . 7 2 2 B 10 10 ALA HA H 108 4.182 4.157 0.025 1
1 1163 . 7 2 2 B 10 10 ALA C C 108 180.906 179.469 1.437 1
1 1164 . 7 2 2 B 10 10 ALA CA C 108 55.014 54.806 0.208 1
1 1165 . 7 2 2 B 10 10 ALA CB C 108 18.631 18.503 0.128 1
1 1166 . 7 2 2 B 10 10 ALA N N 108 122.756 122.430 0.326 1
1 1167 . 7 2 2 B 11 11 GLU H H 109 8.390 8.354 0.036 1
1 1168 . 7 2 2 B 11 11 GLU HA H 109 4.256 4.058 0.198 1
1 1173 . 7 2 2 B 11 11 GLU C C 109 178.678 179.190 -0.512 1
1 1174 . 7 2 2 B 11 11 GLU CA C 109 59.105 59.197 -0.092 1
1 1175 . 7 2 2 B 11 11 GLU CB C 109 29.559 29.466 0.093 1
1 1177 . 7 2 2 B 11 11 GLU N N 109 121.999 119.170 2.829 1
1 1178 . 7 2 2 B 12 12 LEU H H 110 8.395 8.418 -0.023 1
1 1179 . 7 2 2 B 12 12 LEU HA H 110 3.808 3.932 -0.124 1
1 1189 . 7 2 2 B 12 12 LEU C C 110 178.288 179.103 -0.815 1
1 1190 . 7 2 2 B 12 12 LEU CA C 110 58.407 57.877 0.530 1
1 1191 . 7 2 2 B 12 12 LEU CB C 110 41.329 41.488 -0.159 1
1 1195 . 7 2 2 B 12 12 LEU N N 110 119.939 120.189 -0.250 1
1 1196 . 7 2 2 B 13 13 GLN H H 111 7.761 8.245 -0.484 1
1 1197 . 7 2 2 B 13 13 GLN HA H 111 4.008 3.900 0.108 1
1 1202 . 7 2 2 B 13 13 GLN C C 111 177.954 178.109 -0.155 1
1 1203 . 7 2 2 B 13 13 GLN CA C 111 58.674 59.233 -0.559 1
1 1204 . 7 2 2 B 13 13 GLN CB C 111 28.513 28.212 0.301 1
1 1206 . 7 2 2 B 13 13 GLN N N 111 117.305 118.708 -1.403 1
1 1207 . 7 2 2 B 14 14 ARG H H 112 7.752 8.170 -0.418 1
1 1208 . 7 2 2 B 14 14 ARG HA H 112 4.053 4.179 -0.126 1
1 1216 . 7 2 2 B 14 14 ARG C C 112 179.625 178.858 0.767 1
1 1217 . 7 2 2 B 14 14 ARG CA C 112 59.770 58.851 0.919 1
1 1218 . 7 2 2 B 14 14 ARG CB C 112 29.884 30.030 -0.146 1
1 1221 . 7 2 2 B 14 14 ARG N N 112 121.241 120.360 0.881 1
1 1223 . 7 2 2 B 15 15 LEU H H 113 8.478 8.533 -0.055 1
1 1224 . 7 2 2 B 15 15 LEU HA H 113 3.974 4.013 -0.039 1
1 1234 . 7 2 2 B 15 15 LEU C C 113 180.627 179.251 1.376 1
1 1235 . 7 2 2 B 15 15 LEU CA C 113 58.251 57.841 0.410 1
1 1236 . 7 2 2 B 15 15 LEU CB C 113 41.751 41.626 0.125 1
1 1240 . 7 2 2 B 15 15 LEU N N 113 120.898 119.621 1.277 1
1 1241 . 7 2 2 B 16 16 LYS H H 114 8.437 8.447 -0.010 1
1 1242 . 7 2 2 B 16 16 LYS HA H 114 3.368 3.986 -0.618 1
1 1251 . 7 2 2 B 16 16 LYS C C 114 178.288 178.891 -0.603 1
1 1252 . 7 2 2 B 16 16 LYS CA C 114 60.242 59.708 0.534 1
1 1253 . 7 2 2 B 16 16 LYS CB C 114 30.249 32.068 -1.819 1
1 1257 . 7 2 2 B 16 16 LYS N N 114 123.214 121.289 1.925 1
1 1258 . 7 2 2 B 17 17 ASN H H 115 8.137 8.603 -0.466 1
1 1259 . 7 2 2 B 17 17 ASN HA H 115 4.270 4.436 -0.166 1
1 1264 . 7 2 2 B 17 17 ASN C C 115 178.288 177.864 0.424 1
1 1265 . 7 2 2 B 17 17 ASN CA C 115 56.318 56.145 0.173 1
1 1266 . 7 2 2 B 17 17 ASN CB C 115 37.573 38.128 -0.555 1
1 1267 . 7 2 2 B 17 17 ASN N N 115 117.923 118.182 -0.259 1
1 1269 . 7 2 2 B 18 18 GLU H H 116 8.110 8.236 -0.126 1
1 1270 . 7 2 2 B 18 18 GLU HA H 116 4.146 4.039 0.107 1
1 1275 . 7 2 2 B 18 18 GLU C C 116 178.956 179.026 -0.070 1
1 1276 . 7 2 2 B 18 18 GLU CA C 116 59.659 59.681 -0.022 1
1 1277 . 7 2 2 B 18 18 GLU CB C 116 29.950 29.301 0.649 1
1 1279 . 7 2 2 B 18 18 GLU N N 116 120.249 119.830 0.419 1
1 1280 . 7 2 2 B 19 19 ARG H H 117 7.925 7.853 0.072 1
1 1281 . 7 2 2 B 19 19 ARG HA H 117 4.057 4.153 -0.096 1
1 1289 . 7 2 2 B 19 19 ARG C C 117 180.070 179.293 0.777 1
1 1290 . 7 2 2 B 19 19 ARG CA C 117 59.564 59.185 0.379 1
1 1291 . 7 2 2 B 19 19 ARG CB C 117 29.879 29.879 0.000 1
1 1294 . 7 2 2 B 19 19 ARG N N 117 119.801 118.800 1.001 1
1 1296 . 7 2 2 B 20 20 HIS H H 118 8.316 7.990 0.326 1
1 1297 . 7 2 2 B 20 20 HIS HA H 118 4.574 4.348 0.226 1
1 1304 . 7 2 2 B 20 20 HIS C C 118 176.784 177.773 -0.989 1
1 1305 . 7 2 2 B 20 20 HIS CA C 118 58.397 59.473 -1.076 1
1 1306 . 7 2 2 B 20 20 HIS CB C 118 29.343 30.439 -1.096 1
1 1309 . 7 2 2 B 20 20 HIS N N 118 117.802 118.297 -0.495 1
1 1310 . 7 2 2 B 21 21 GLU H H 119 8.400 8.664 -0.264 1
1 1311 . 7 2 2 B 21 21 GLU HA H 119 4.268 3.802 0.466 1
1 1316 . 7 2 2 B 21 21 GLU C C 119 178.566 179.307 -0.741 1
1 1317 . 7 2 2 B 21 21 GLU CA C 119 59.105 59.845 -0.740 1
1 1318 . 7 2 2 B 21 21 GLU CB C 119 29.559 29.233 0.326 1
1 1320 . 7 2 2 B 21 21 GLU N N 119 121.996 119.811 2.185 1
1 1321 . 7 2 2 B 22 22 GLU H H 120 8.285 8.613 -0.328 1
1 1322 . 7 2 2 B 22 22 GLU HA H 120 4.204 4.044 0.160 1
1 1327 . 7 2 2 B 22 22 GLU C C 120 178.288 178.997 -0.709 1
1 1328 . 7 2 2 B 22 22 GLU CA C 120 58.841 59.252 -0.411 1
1 1329 . 7 2 2 B 22 22 GLU CB C 120 29.322 29.224 0.098 1
1 1331 . 7 2 2 B 22 22 GLU N N 120 119.798 120.486 -0.688 1
1 1332 . 7 2 2 B 23 23 ALA H H 121 8.037 8.338 -0.301 1
1 1333 . 7 2 2 B 23 23 ALA HA H 121 4.270 4.019 0.251 1
1 1337 . 7 2 2 B 23 23 ALA C C 121 179.569 179.465 0.104 1
1 1338 . 7 2 2 B 23 23 ALA CA C 121 54.158 54.937 -0.779 1
1 1339 . 7 2 2 B 23 23 ALA CB C 121 18.923 18.189 0.734 1
1 1340 . 7 2 2 B 23 23 ALA N N 121 122.418 122.457 -0.039 1
1 1341 . 7 2 2 B 24 24 GLU H H 122 8.039 7.833 0.206 1
1 1342 . 7 2 2 B 24 24 GLU HA H 122 4.291 3.994 0.297 1
1 1347 . 7 2 2 B 24 24 GLU C C 122 177.954 179.669 -1.715 1
1 1348 . 7 2 2 B 24 24 GLU CA C 122 58.023 58.928 -0.905 1
1 1349 . 7 2 2 B 24 24 GLU CB C 122 29.566 29.448 0.118 1
1 1351 . 7 2 2 B 24 24 GLU N N 122 119.517 118.414 1.103 1
1 1352 . 7 2 2 B 25 25 LEU H H 123 7.962 8.828 -0.866 1
1 1353 . 7 2 2 B 25 25 LEU HA H 123 4.226 3.993 0.233 1
1 1363 . 7 2 2 B 25 25 LEU C C 123 179.123 179.206 -0.083 1
1 1364 . 7 2 2 B 25 25 LEU CA C 123 57.213 58.025 -0.812 1
1 1365 . 7 2 2 B 25 25 LEU CB C 123 41.809 41.613 0.196 1
1 1369 . 7 2 2 B 25 25 LEU N N 123 120.617 119.912 0.705 1
1 1370 . 7 2 2 B 26 26 GLU H H 124 8.093 8.632 -0.539 1
1 1371 . 7 2 2 B 26 26 GLU HA H 124 4.140 3.990 0.150 1
1 1376 . 7 2 2 B 26 26 GLU C C 124 177.954 178.680 -0.726 1
1 1377 . 7 2 2 B 26 26 GLU CA C 124 58.095 59.439 -1.344 1
1 1378 . 7 2 2 B 26 26 GLU CB C 124 29.910 29.007 0.903 1
1 1380 . 7 2 2 B 26 26 GLU N N 124 119.473 120.256 -0.783 1
1 1381 . 7 2 2 B 27 27 ARG H H 125 7.954 8.035 -0.081 1
1 1382 . 7 2 2 B 27 27 ARG HA H 125 4.210 4.121 0.089 1
1 1390 . 7 2 2 B 27 27 ARG C C 125 177.619 178.507 -0.888 1
1 1391 . 7 2 2 B 27 27 ARG CA C 125 57.677 58.589 -0.912 1
1 1392 . 7 2 2 B 27 27 ARG CB C 125 30.374 30.165 0.209 1
1 1395 . 7 2 2 B 27 27 ARG N N 125 120.670 120.376 0.294 1
1 1397 . 7 2 2 B 28 28 LEU H H 126 8.038 8.109 -0.071 1
1 1398 . 7 2 2 B 28 28 LEU HA H 126 4.270 4.124 0.146 1
1 1408 . 7 2 2 B 28 28 LEU C C 126 178.065 178.285 -0.220 1
1 1409 . 7 2 2 B 28 28 LEU CA C 126 56.096 57.672 -1.576 1
1 1410 . 7 2 2 B 28 28 LEU CB C 126 42.252 41.829 0.423 1
1 1414 . 7 2 2 B 28 28 LEU N N 126 120.818 121.025 -0.207 1
1 1415 . 7 2 2 B 29 29 LYS H H 127 7.944 7.960 -0.016 1
1 1416 . 7 2 2 B 29 29 LYS HA H 127 4.270 4.037 0.233 1
1 1425 . 7 2 2 B 29 29 LYS C C 127 176.951 179.004 -2.053 1
1 1426 . 7 2 2 B 29 29 LYS CA C 127 57.168 58.907 -1.739 1
1 1427 . 7 2 2 B 29 29 LYS CB C 127 32.755 32.151 0.604 1
1 1431 . 7 2 2 B 29 29 LYS N N 127 119.960 119.817 0.143 1
1 1432 . 7 2 2 B 30 30 SER H H 128 8.030 8.323 -0.293 1
1 1433 . 7 2 2 B 30 30 SER HA H 128 4.466 4.404 0.062 1
1 1436 . 7 2 2 B 30 30 SER C C 128 176.101 174.129 1.972 1
1 1437 . 7 2 2 B 30 30 SER CA C 128 58.590 61.126 -2.536 1
1 1438 . 7 2 2 B 30 30 SER CB C 128 63.939 63.619 0.320 1
1 1439 . 7 2 2 B 30 30 SER N N 128 115.496 112.773 2.723 1
1 1440 . 7 2 2 B 31 31 GLU H H 129 8.157 8.187 -0.030 1
1 1441 . 7 2 2 B 31 31 GLU HA H 129 4.291 4.226 0.065 1
1 1446 . 7 2 2 B 31 31 GLU C C 129 175.112 174.807 0.305 1
1 1447 . 7 2 2 B 31 31 GLU CA C 129 56.654 56.994 -0.340 1
1 1448 . 7 2 2 B 31 31 GLU CB C 129 30.389 28.483 1.906 1
1 1450 . 7 2 2 B 31 31 GLU N N 129 122.569 118.158 4.411 1
1 1 . 8 1 1 A 2 2 VAL H H 2 7.944 8.481 -0.537 1
1 2 . 8 1 1 A 2 2 VAL HA H 2 4.035 4.206 -0.171 1
1 10 . 8 1 1 A 2 2 VAL C C 2 174.807 174.613 0.194 1
1 11 . 8 1 1 A 2 2 VAL CA C 2 61.947 61.956 -0.009 1
1 12 . 8 1 1 A 2 2 VAL CB C 2 33.175 30.755 2.420 1
1 15 . 8 1 1 A 2 2 VAL N N 2 123.960 114.511 9.449 1
1 16 . 8 1 1 A 3 3 GLU H H 3 8.465 8.025 0.440 1
1 17 . 8 1 1 A 3 3 GLU HA H 3 4.168 4.830 -0.662 1
1 22 . 8 1 1 A 3 3 GLU C C 3 175.888 177.202 -1.314 1
1 23 . 8 1 1 A 3 3 GLU CA C 3 56.487 54.305 2.182 1
1 24 . 8 1 1 A 3 3 GLU CB C 3 30.349 32.815 -2.466 1
1 26 . 8 1 1 A 3 3 GLU N N 3 125.549 124.014 1.535 1
1 27 . 8 1 1 A 4 4 PHE H H 4 8.330 9.078 -0.748 1
1 28 . 8 1 1 A 4 4 PHE HA H 4 4.651 4.220 0.431 1
1 36 . 8 1 1 A 4 4 PHE C C 4 175.550 176.535 -0.985 1
1 37 . 8 1 1 A 4 4 PHE CA C 4 57.827 60.013 -2.186 1
1 38 . 8 1 1 A 4 4 PHE CB C 4 39.623 37.783 1.840 1
1 44 . 8 1 1 A 4 4 PHE N N 4 121.869 121.725 0.144 1
1 45 . 8 1 1 A 5 5 SER H H 5 8.177 7.422 0.755 1
1 46 . 8 1 1 A 5 5 SER HA H 5 4.395 4.285 0.110 1
1 49 . 8 1 1 A 5 5 SER C C 5 173.996 174.706 -0.710 1
1 50 . 8 1 1 A 5 5 SER CA C 5 58.045 59.173 -1.128 1
1 51 . 8 1 1 A 5 5 SER CB C 5 64.050 63.831 0.219 1
1 52 . 8 1 1 A 5 5 SER N N 5 117.865 113.845 4.020 1
1 53 . 8 1 1 A 6 6 GLU H H 6 8.425 7.618 0.807 1
1 54 . 8 1 1 A 6 6 GLU HA H 6 4.290 4.876 -0.586 1
1 59 . 8 1 1 A 6 6 GLU C C 6 176.699 174.594 2.105 1
1 60 . 8 1 1 A 6 6 GLU CA C 6 56.479 55.734 0.745 1
1 61 . 8 1 1 A 6 6 GLU CB C 6 30.715 32.058 -1.343 1
1 63 . 8 1 1 A 6 6 GLU N N 6 122.791 121.693 1.098 1
1 64 . 8 1 1 A 7 7 GLU H H 7 8.421 8.983 -0.562 1
1 65 . 8 1 1 A 7 7 GLU HA H 7 4.742 4.882 -0.140 1
1 70 . 8 1 1 A 7 7 GLU C C 7 175.145 174.967 0.178 1
1 71 . 8 1 1 A 7 7 GLU CA C 7 55.617 55.498 0.119 1
1 72 . 8 1 1 A 7 7 GLU CB C 7 29.095 30.531 -1.436 1
1 74 . 8 1 1 A 7 7 GLU N N 7 122.775 125.288 -2.513 1
1 75 . 8 1 1 A 8 8 CYS H H 8 7.917 8.786 -0.869 1
1 76 . 8 1 1 A 8 8 CYS HA H 8 4.969 5.379 -0.410 1
1 79 . 8 1 1 A 8 8 CYS C C 8 171.610 171.844 -0.234 1
1 80 . 8 1 1 A 8 8 CYS CA C 8 53.880 54.346 -0.466 1
1 81 . 8 1 1 A 8 8 CYS CB C 8 43.144 46.035 -2.891 1
1 82 . 8 1 1 A 8 8 CYS N N 8 115.067 120.487 -5.420 1
1 83 . 8 1 1 A 9 9 MET H H 9 9.379 8.556 0.823 1
1 84 . 8 1 1 A 9 9 MET HA H 9 5.049 5.181 -0.132 1
1 89 . 8 1 1 A 9 9 MET C C 9 174.038 174.842 -0.804 1
1 90 . 8 1 1 A 9 9 MET CA C 9 53.312 53.953 -0.641 1
1 91 . 8 1 1 A 9 9 MET CB C 9 36.165 33.668 2.497 1
1 93 . 8 1 1 A 9 9 MET N N 9 117.763 119.533 -1.770 1
1 94 . 8 1 1 A 10 10 HIS H H 10 9.610 8.876 0.734 1
1 95 . 8 1 1 A 10 10 HIS HA H 10 4.877 4.803 0.074 1
1 102 . 8 1 1 A 10 10 HIS C C 10 176.698 175.262 1.436 1
1 103 . 8 1 1 A 10 10 HIS CA C 10 55.016 56.551 -1.535 1
1 104 . 8 1 1 A 10 10 HIS CB C 10 31.116 30.430 0.686 1
1 107 . 8 1 1 A 10 10 HIS N N 10 124.293 125.066 -0.773 1
1 108 . 8 1 1 A 11 11 GLY H H 11 9.249 8.660 0.589 1
1 109 . 8 1 1 A 11 11 GLY HA2 H 11 4.104 3.733 0.371 1
1 110 . 8 1 1 A 11 11 GLY HA3 H 11 3.843 3.818 0.025 1
1 111 . 8 1 1 A 11 11 GLY C C 11 174.559 175.020 -0.461 1
1 112 . 8 1 1 A 11 11 GLY CA C 11 47.652 46.981 0.671 1
1 113 . 8 1 1 A 11 11 GLY N N 11 115.224 116.241 -1.017 1
1 114 . 8 1 1 A 12 12 SER H H 12 8.999 8.647 0.352 1
1 115 . 8 1 1 A 12 12 SER HA H 12 4.653 4.499 0.154 1
1 118 . 8 1 1 A 12 12 SER C C 12 176.178 174.272 1.906 1
1 119 . 8 1 1 A 12 12 SER CA C 12 57.731 58.816 -1.085 1
1 120 . 8 1 1 A 12 12 SER CB C 12 63.439 63.857 -0.418 1
1 121 . 8 1 1 A 12 12 SER N N 12 121.965 121.980 -0.015 1
1 122 . 8 1 1 A 13 13 GLY H H 13 9.022 7.954 1.068 1
1 123 . 8 1 1 A 13 13 GLY HA2 H 13 4.052 4.053 -0.001 1
1 124 . 8 1 1 A 13 13 GLY HA3 H 13 3.957 4.104 -0.147 1
1 125 . 8 1 1 A 13 13 GLY C C 13 176.178 175.812 0.366 1
1 126 . 8 1 1 A 13 13 GLY CA C 13 47.972 45.403 2.569 1
1 127 . 8 1 1 A 13 13 GLY N N 13 109.294 108.616 0.678 1
1 128 . 8 1 1 A 14 14 GLU H H 14 9.552 8.561 0.991 1
1 129 . 8 1 1 A 14 14 GLU HA H 14 4.347 4.594 -0.247 1
1 134 . 8 1 1 A 14 14 GLU C C 14 177.045 177.850 -0.805 1
1 135 . 8 1 1 A 14 14 GLU CA C 14 60.282 58.900 1.382 1
1 136 . 8 1 1 A 14 14 GLU CB C 14 29.145 29.441 -0.296 1
1 138 . 8 1 1 A 14 14 GLU N N 14 123.736 121.538 2.198 1
1 139 . 8 1 1 A 15 15 ASN H H 15 8.425 7.880 0.545 1
1 140 . 8 1 1 A 15 15 ASN HA H 15 5.030 4.814 0.216 1
1 144 . 8 1 1 A 15 15 ASN C C 15 174.848 174.978 -0.130 1
1 145 . 8 1 1 A 15 15 ASN CA C 15 51.725 52.831 -1.106 1
1 146 . 8 1 1 A 15 15 ASN CB C 15 38.404 38.543 -0.139 1
1 147 . 8 1 1 A 15 15 ASN N N 15 112.918 117.233 -4.315 1
1 150 . 8 1 1 A 16 16 TYR H H 16 7.622 7.823 -0.201 1
1 151 . 8 1 1 A 16 16 TYR HA H 16 4.445 4.810 -0.365 1
1 159 . 8 1 1 A 16 16 TYR C C 16 175.773 174.301 1.472 1
1 160 . 8 1 1 A 16 16 TYR CA C 16 60.125 56.773 3.352 1
1 161 . 8 1 1 A 16 16 TYR CB C 16 38.590 38.394 0.196 1
1 166 . 8 1 1 A 16 16 TYR N N 16 121.437 121.573 -0.136 1
1 167 . 8 1 1 A 17 17 ASP H H 17 8.722 8.652 0.070 1
1 168 . 8 1 1 A 17 17 ASP HA H 17 4.599 4.928 -0.329 1
1 171 . 8 1 1 A 17 17 ASP C C 17 175.748 174.372 1.376 1
1 172 . 8 1 1 A 17 17 ASP CA C 17 52.327 52.276 0.051 1
1 173 . 8 1 1 A 17 17 ASP CB C 17 42.265 41.012 1.253 1
1 174 . 8 1 1 A 17 17 ASP N N 17 130.345 128.618 1.727 1
1 175 . 8 1 1 A 18 18 GLY H H 18 4.504 7.961 -3.457 1
1 176 . 8 1 1 A 18 18 GLY HA2 H 18 4.092 3.402 0.690 1
1 177 . 8 1 1 A 18 18 GLY HA3 H 18 3.786 3.703 0.083 1
1 178 . 8 1 1 A 18 18 GLY C C 18 174.732 173.978 0.754 1
1 179 . 8 1 1 A 18 18 GLY CA C 18 44.739 43.802 0.937 1
1 180 . 8 1 1 A 18 18 GLY N N 18 104.445 111.821 -7.376 1
1 181 . 8 1 1 A 19 19 LYS H H 19 9.272 8.184 1.088 1
1 182 . 8 1 1 A 19 19 LYS HA H 19 3.248 3.024 0.224 1
1 191 . 8 1 1 A 19 19 LYS C C 19 176.409 176.454 -0.045 1
1 192 . 8 1 1 A 19 19 LYS CA C 19 55.454 55.341 0.113 1
1 193 . 8 1 1 A 19 19 LYS CB C 19 32.499 31.947 0.552 1
1 197 . 8 1 1 A 19 19 LYS N N 19 117.569 116.123 1.446 1
1 198 . 8 1 1 A 20 20 ILE H H 20 7.559 7.429 0.130 1
1 199 . 8 1 1 A 20 20 ILE HA H 20 3.991 4.187 -0.196 1
1 209 . 8 1 1 A 20 20 ILE C C 20 176.756 176.015 0.741 1
1 210 . 8 1 1 A 20 20 ILE CA C 20 64.261 62.470 1.791 1
1 211 . 8 1 1 A 20 20 ILE CB C 20 36.212 38.378 -2.166 1
1 215 . 8 1 1 A 20 20 ILE N N 20 122.778 122.460 0.318 1
1 216 . 8 1 1 A 21 21 SER H H 21 8.817 8.970 -0.153 1
1 217 . 8 1 1 A 21 21 SER HA H 21 5.128 5.018 0.110 1
1 220 . 8 1 1 A 21 21 SER C C 21 172.708 173.967 -1.259 1
1 221 . 8 1 1 A 21 21 SER CA C 21 57.513 57.385 0.128 1
1 222 . 8 1 1 A 21 21 SER CB C 21 65.126 64.306 0.820 1
1 223 . 8 1 1 A 21 21 SER N N 21 122.859 121.466 1.393 1
1 224 . 8 1 1 A 22 22 LYS H H 22 7.150 7.746 -0.596 1
1 225 . 8 1 1 A 22 22 LYS HA H 22 5.530 5.595 -0.065 1
1 234 . 8 1 1 A 22 22 LYS C C 22 176.120 176.362 -0.242 1
1 235 . 8 1 1 A 22 22 LYS CA C 22 53.471 54.639 -1.168 1
1 236 . 8 1 1 A 22 22 LYS CB C 22 37.049 35.866 1.183 1
1 240 . 8 1 1 A 22 22 LYS N N 22 119.681 121.098 -1.417 1
1 241 . 8 1 1 A 23 23 THR H H 23 9.134 8.841 0.293 1
1 242 . 8 1 1 A 23 23 THR HA H 23 4.630 4.754 -0.124 1
1 248 . 8 1 1 A 23 23 THR C C 23 177.971 176.273 1.698 1
1 249 . 8 1 1 A 23 23 THR CA C 23 61.032 60.771 0.261 1
1 250 . 8 1 1 A 23 23 THR CB C 23 70.818 71.593 -0.775 1
1 252 . 8 1 1 A 23 23 THR N N 23 111.072 113.958 -2.886 1
1 253 . 8 1 1 A 24 24 MET H H 24 9.383 9.050 0.333 1
1 254 . 8 1 1 A 24 24 MET HA H 24 4.168 4.232 -0.064 1
1 259 . 8 1 1 A 24 24 MET C C 24 176.122 177.310 -1.188 1
1 260 . 8 1 1 A 24 24 MET CA C 24 58.704 57.629 1.075 1
1 261 . 8 1 1 A 24 24 MET CB C 24 32.546 32.486 0.060 1
1 263 . 8 1 1 A 24 24 MET N N 24 118.120 119.905 -1.785 1
1 264 . 8 1 1 A 25 25 SER H H 25 7.763 7.804 -0.041 1
1 265 . 8 1 1 A 25 25 SER HA H 25 4.575 4.563 0.012 1
1 269 . 8 1 1 A 25 25 SER C C 25 174.848 174.806 0.042 1
1 270 . 8 1 1 A 25 25 SER CA C 25 58.895 58.743 0.152 1
1 271 . 8 1 1 A 25 25 SER CB C 25 62.844 64.031 -1.187 1
1 272 . 8 1 1 A 25 25 SER N N 25 113.626 113.623 0.003 1
1 273 . 8 1 1 A 26 26 GLY H H 26 8.136 8.113 0.023 1
1 274 . 8 1 1 A 26 26 GLY HA2 H 26 4.305 3.935 0.370 1
1 275 . 8 1 1 A 26 26 GLY HA3 H 26 3.503 3.943 -0.440 1
1 276 . 8 1 1 A 26 26 GLY C C 26 174.212 174.916 -0.704 1
1 277 . 8 1 1 A 26 26 GLY CA C 26 45.125 45.523 -0.398 1
1 278 . 8 1 1 A 26 26 GLY N N 26 110.819 109.693 1.126 1
1 279 . 8 1 1 A 27 27 LEU H H 27 7.183 8.208 -1.025 1
1 280 . 8 1 1 A 27 27 LEU HA H 27 4.319 4.507 -0.188 1
1 290 . 8 1 1 A 27 27 LEU C C 27 176.178 176.628 -0.450 1
1 291 . 8 1 1 A 27 27 LEU CA C 27 54.211 54.602 -0.391 1
1 292 . 8 1 1 A 27 27 LEU CB C 27 42.260 42.603 -0.343 1
1 296 . 8 1 1 A 27 27 LEU N N 27 120.765 122.392 -1.627 1
1 297 . 8 1 1 A 28 28 GLU H H 28 8.699 8.605 0.094 1
1 298 . 8 1 1 A 28 28 GLU HA H 28 4.506 4.421 0.085 1
1 303 . 8 1 1 A 28 28 GLU C C 28 177.161 176.250 0.911 1
1 304 . 8 1 1 A 28 28 GLU CA C 28 56.451 56.536 -0.085 1
1 305 . 8 1 1 A 28 28 GLU CB C 28 30.018 30.393 -0.375 1
1 307 . 8 1 1 A 28 28 GLU N N 28 122.582 120.620 1.962 1
1 308 . 8 1 1 A 29 29 CYS H H 29 8.624 8.772 -0.148 1
1 309 . 8 1 1 A 29 29 CYS HA H 29 4.812 5.401 -0.589 1
1 312 . 8 1 1 A 29 29 CYS C C 29 177.045 172.865 4.180 1
1 313 . 8 1 1 A 29 29 CYS CA C 29 55.189 54.956 0.233 1
1 314 . 8 1 1 A 29 29 CYS CB C 29 37.938 43.730 -5.792 1
1 315 . 8 1 1 A 29 29 CYS N N 29 125.564 123.936 1.628 1
1 316 . 8 1 1 A 30 30 GLN H H 30 9.664 8.859 0.805 1
1 317 . 8 1 1 A 30 30 GLN HA H 30 3.841 4.409 -0.568 1
1 324 . 8 1 1 A 30 30 GLN C C 30 175.310 175.899 -0.589 1
1 325 . 8 1 1 A 30 30 GLN CA C 30 55.501 54.803 0.698 1
1 326 . 8 1 1 A 30 30 GLN CB C 30 29.943 29.905 0.038 1
1 328 . 8 1 1 A 30 30 GLN N N 30 127.687 124.957 2.730 1
1 330 . 8 1 1 A 31 31 ALA H H 31 8.728 8.800 -0.072 1
1 331 . 8 1 1 A 31 31 ALA HA H 31 4.052 4.499 -0.447 1
1 335 . 8 1 1 A 31 31 ALA C C 31 178.722 178.478 0.244 1
1 336 . 8 1 1 A 31 31 ALA CA C 31 52.327 52.821 -0.494 1
1 337 . 8 1 1 A 31 31 ALA CB C 31 18.034 19.252 -1.218 1
1 338 . 8 1 1 A 31 31 ALA N N 31 128.680 128.661 0.019 1
1 339 . 8 1 1 A 32 32 TRP H H 32 7.703 8.686 -0.983 1
1 340 . 8 1 1 A 32 32 TRP HA H 32 4.244 4.513 -0.269 1
1 349 . 8 1 1 A 32 32 TRP C C 32 177.566 177.268 0.298 1
1 350 . 8 1 1 A 32 32 TRP CA C 32 59.531 59.913 -0.382 1
1 351 . 8 1 1 A 32 32 TRP CB C 32 29.953 29.249 0.704 1
1 357 . 8 1 1 A 32 32 TRP N N 32 123.505 124.490 -0.985 1
1 359 . 8 1 1 A 33 33 ASP H H 33 8.797 8.439 0.358 1
1 360 . 8 1 1 A 33 33 ASP HA H 33 4.634 4.777 -0.143 1
1 363 . 8 1 1 A 33 33 ASP C C 33 175.831 175.829 0.002 1
1 364 . 8 1 1 A 33 33 ASP CA C 33 54.398 53.951 0.447 1
1 365 . 8 1 1 A 33 33 ASP CB C 33 40.707 40.292 0.415 1
1 366 . 8 1 1 A 33 33 ASP N N 33 113.424 116.594 -3.170 1
1 367 . 8 1 1 A 34 34 SER H H 34 8.039 7.922 0.117 1
1 368 . 8 1 1 A 34 34 SER HA H 34 4.737 4.708 0.029 1
1 372 . 8 1 1 A 34 34 SER C C 34 174.096 175.419 -1.323 1
1 373 . 8 1 1 A 34 34 SER CA C 34 56.454 56.675 -0.221 1
1 374 . 8 1 1 A 34 34 SER CB C 34 65.137 64.857 0.280 1
1 375 . 8 1 1 A 34 34 SER N N 34 114.429 115.867 -1.438 1
1 376 . 8 1 1 A 35 35 GLN H H 35 8.387 8.645 -0.258 1
1 377 . 8 1 1 A 35 35 GLN HA H 35 4.426 4.720 -0.294 1
1 384 . 8 1 1 A 35 35 GLN C C 35 173.518 174.252 -0.734 1
1 385 . 8 1 1 A 35 35 GLN CA C 35 54.020 56.126 -2.106 1
1 386 . 8 1 1 A 35 35 GLN CB C 35 28.804 29.266 -0.462 1
1 388 . 8 1 1 A 35 35 GLN N N 35 123.700 125.742 -2.042 1
1 390 . 8 1 1 A 36 36 SER H H 36 7.746 7.348 0.398 1
1 391 . 8 1 1 A 36 36 SER HA H 36 4.466 4.795 -0.329 1
1 395 . 8 1 1 A 36 36 SER C C 36 172.824 173.756 -0.932 1
1 396 . 8 1 1 A 36 36 SER CA C 36 54.749 55.290 -0.541 1
1 397 . 8 1 1 A 36 36 SER CB C 36 65.162 64.070 1.092 1
1 398 . 8 1 1 A 36 36 SER N N 36 112.974 116.321 -3.347 1
1 399 . 8 1 1 A 37 37 PRO HA H 37 4.382 4.480 -0.098 1
1 406 . 8 1 1 A 37 37 PRO C C 37 176.351 176.019 0.332 1
1 407 . 8 1 1 A 37 37 PRO CA C 37 64.110 63.407 0.703 1
1 408 . 8 1 1 A 37 37 PRO CB C 37 33.670 32.103 1.567 1
1 411 . 8 1 1 A 38 38 HIS H H 38 8.764 7.283 1.481 1
1 412 . 8 1 1 A 38 38 HIS HA H 38 4.897 4.764 0.133 1
1 417 . 8 1 1 A 38 38 HIS C C 38 178.144 174.552 3.592 1
1 418 . 8 1 1 A 38 38 HIS CA C 38 55.580 55.552 0.028 1
1 419 . 8 1 1 A 38 38 HIS CB C 38 30.421 30.916 -0.495 1
1 422 . 8 1 1 A 38 38 HIS N N 38 122.516 117.550 4.966 1
1 423 . 8 1 1 A 39 39 ALA H H 39 8.673 8.638 0.035 1
1 424 . 8 1 1 A 39 39 ALA HA H 39 4.493 4.813 -0.320 1
1 428 . 8 1 1 A 39 39 ALA C C 39 178.375 177.195 1.180 1
1 429 . 8 1 1 A 39 39 ALA CA C 39 51.440 51.356 0.084 1
1 430 . 8 1 1 A 39 39 ALA CB C 39 18.980 19.828 -0.848 1
1 431 . 8 1 1 A 39 39 ALA N N 39 128.546 126.295 2.251 1
1 432 . 8 1 1 A 40 40 HIS H H 40 9.291 9.514 -0.223 1
1 433 . 8 1 1 A 40 40 HIS HA H 40 4.734 5.540 -0.806 1
1 439 . 8 1 1 A 40 40 HIS C C 40 175.484 175.506 -0.022 1
1 440 . 8 1 1 A 40 40 HIS CA C 40 56.141 53.493 2.648 1
1 441 . 8 1 1 A 40 40 HIS CB C 40 35.545 32.880 2.665 1
1 444 . 8 1 1 A 40 40 HIS N N 40 120.682 118.939 1.743 1
1 445 . 8 1 1 A 41 41 GLY H H 41 9.080 8.986 0.094 1
1 446 . 8 1 1 A 41 41 GLY HA2 H 41 4.602 3.809 0.793 1
1 447 . 8 1 1 A 41 41 GLY HA3 H 41 3.671 3.867 -0.196 1
1 448 . 8 1 1 A 41 41 GLY C C 41 176.409 173.918 2.491 1
1 449 . 8 1 1 A 41 41 GLY CA C 41 44.724 45.366 -0.642 1
1 450 . 8 1 1 A 41 41 GLY N N 41 106.159 108.540 -2.381 1
1 451 . 8 1 1 A 42 42 TYR H H 42 11.980 8.343 3.637 1
1 452 . 8 1 1 A 42 42 TYR HA H 42 4.616 5.188 -0.572 1
1 459 . 8 1 1 A 42 42 TYR C C 42 174.385 175.348 -0.963 1
1 460 . 8 1 1 A 42 42 TYR CA C 42 57.579 57.189 0.390 1
1 461 . 8 1 1 A 42 42 TYR CB C 42 36.198 36.933 -0.735 1
1 466 . 8 1 1 A 42 42 TYR N N 42 133.554 119.965 13.589 1
1 467 . 8 1 1 A 43 43 ILE H H 43 7.120 8.218 -1.098 1
1 468 . 8 1 1 A 43 43 ILE HA H 43 4.630 4.535 0.095 1
1 478 . 8 1 1 A 43 43 ILE C C 43 177.219 176.190 1.029 1
1 479 . 8 1 1 A 43 43 ILE CA C 43 58.201 58.558 -0.357 1
1 480 . 8 1 1 A 43 43 ILE CB C 43 38.761 37.810 0.951 1
1 484 . 8 1 1 A 43 43 ILE N N 43 118.881 125.362 -6.481 1
1 485 . 8 1 1 A 44 44 PRO HA H 44 4.193 4.457 -0.264 1
1 492 . 8 1 1 A 44 44 PRO C C 44 178.780 177.712 1.068 1
1 493 . 8 1 1 A 44 44 PRO CA C 44 67.061 64.476 2.585 1
1 494 . 8 1 1 A 44 44 PRO CB C 44 32.267 31.972 0.295 1
1 497 . 8 1 1 A 45 45 SER H H 45 7.984 8.284 -0.300 1
1 498 . 8 1 1 A 45 45 SER HA H 45 4.087 4.309 -0.222 1
1 502 . 8 1 1 A 45 45 SER C C 45 176.004 175.718 0.286 1
1 503 . 8 1 1 A 45 45 SER CA C 45 60.161 60.444 -0.283 1
1 504 . 8 1 1 A 45 45 SER CB C 45 62.260 63.319 -1.059 1
1 505 . 8 1 1 A 45 45 SER N N 45 107.865 112.851 -4.986 1
1 506 . 8 1 1 A 46 46 LYS H H 46 7.769 7.754 0.015 1
1 507 . 8 1 1 A 46 46 LYS HA H 46 3.965 4.208 -0.243 1
1 516 . 8 1 1 A 46 46 LYS C C 46 175.831 176.385 -0.554 1
1 517 . 8 1 1 A 46 46 LYS CA C 46 57.349 56.895 0.454 1
1 518 . 8 1 1 A 46 46 LYS CB C 46 33.283 32.943 0.340 1
1 522 . 8 1 1 A 46 46 LYS N N 46 121.944 116.244 5.700 1
1 523 . 8 1 1 A 47 47 PHE H H 47 7.018 7.466 -0.448 1
1 524 . 8 1 1 A 47 47 PHE HA H 47 5.244 5.113 0.131 1
1 532 . 8 1 1 A 47 47 PHE C C 47 174.790 174.646 0.144 1
1 533 . 8 1 1 A 47 47 PHE CA C 47 54.142 54.793 -0.651 1
1 534 . 8 1 1 A 47 47 PHE CB C 47 39.434 38.934 0.500 1
1 539 . 8 1 1 A 47 47 PHE N N 47 115.480 119.423 -3.943 1
1 540 . 8 1 1 A 48 48 PRO HA H 48 4.472 4.479 -0.007 1
1 547 . 8 1 1 A 48 48 PRO C C 48 177.681 178.195 -0.514 1
1 548 . 8 1 1 A 48 48 PRO CA C 48 65.513 64.864 0.649 1
1 549 . 8 1 1 A 48 48 PRO CB C 48 31.712 31.562 0.150 1
1 552 . 8 1 1 A 49 49 ASN H H 49 8.559 9.023 -0.464 1
1 553 . 8 1 1 A 49 49 ASN HA H 49 4.818 4.528 0.290 1
1 558 . 8 1 1 A 49 49 ASN C C 49 175.715 176.377 -0.662 1
1 559 . 8 1 1 A 49 49 ASN CA C 49 53.372 54.802 -1.430 1
1 560 . 8 1 1 A 49 49 ASN CB C 49 37.351 36.793 0.558 1
1 561 . 8 1 1 A 49 49 ASN N N 49 114.836 115.428 -0.592 1
1 563 . 8 1 1 A 50 50 LYS H H 50 7.627 7.557 0.070 1
1 564 . 8 1 1 A 50 50 LYS HA H 50 4.480 4.324 0.156 1
1 573 . 8 1 1 A 50 50 LYS C C 50 175.079 175.789 -0.710 1
1 574 . 8 1 1 A 50 50 LYS CA C 50 53.336 56.019 -2.683 1
1 575 . 8 1 1 A 50 50 LYS CB C 50 31.284 32.515 -1.231 1
1 579 . 8 1 1 A 50 50 LYS N N 50 116.224 117.629 -1.405 1
1 580 . 8 1 1 A 51 51 ASN H H 51 7.945 8.243 -0.298 1
1 581 . 8 1 1 A 51 51 ASN HA H 51 4.304 4.403 -0.099 1
1 586 . 8 1 1 A 51 51 ASN C C 51 175.195 175.594 -0.399 1
1 587 . 8 1 1 A 51 51 ASN CA C 51 54.089 53.954 0.135 1
1 588 . 8 1 1 A 51 51 ASN CB C 51 36.504 36.915 -0.411 1
1 589 . 8 1 1 A 51 51 ASN N N 51 115.331 117.234 -1.903 1
1 591 . 8 1 1 A 52 52 LEU H H 52 8.803 7.840 0.963 1
1 592 . 8 1 1 A 52 52 LEU HA H 52 3.412 4.147 -0.735 1
1 602 . 8 1 1 A 52 52 LEU C C 52 174.674 174.839 -0.165 1
1 603 . 8 1 1 A 52 52 LEU CA C 52 53.983 54.034 -0.051 1
1 604 . 8 1 1 A 52 52 LEU CB C 52 42.471 40.612 1.859 1
1 608 . 8 1 1 A 52 52 LEU N N 52 121.765 120.902 0.863 1
1 609 . 8 1 1 A 53 53 LYS H H 53 7.099 8.287 -1.188 1
1 610 . 8 1 1 A 53 53 LYS HA H 53 4.324 4.867 -0.543 1
1 619 . 8 1 1 A 53 53 LYS C C 53 173.460 176.560 -3.100 1
1 620 . 8 1 1 A 53 53 LYS CA C 53 54.843 54.483 0.360 1
1 621 . 8 1 1 A 53 53 LYS CB C 53 36.395 35.716 0.679 1
1 625 . 8 1 1 A 53 53 LYS N N 53 124.403 125.481 -1.078 1
1 626 . 8 1 1 A 54 54 LYS H H 54 8.805 8.953 -0.148 1
1 627 . 8 1 1 A 54 54 LYS HA H 54 3.692 3.822 -0.130 1
1 636 . 8 1 1 A 54 54 LYS C C 54 173.344 175.960 -2.616 1
1 637 . 8 1 1 A 54 54 LYS CA C 54 56.366 57.816 -1.450 1
1 638 . 8 1 1 A 54 54 LYS CB C 54 29.830 30.250 -0.420 1
1 642 . 8 1 1 A 54 54 LYS N N 54 118.125 117.386 0.739 1
1 643 . 8 1 1 A 55 55 ASN H H 55 7.567 8.259 -0.692 1
1 644 . 8 1 1 A 55 55 ASN HA H 55 4.643 4.698 -0.055 1
1 649 . 8 1 1 A 55 55 ASN C C 55 172.188 175.141 -2.953 1
1 650 . 8 1 1 A 55 55 ASN CA C 55 51.091 51.508 -0.417 1
1 651 . 8 1 1 A 55 55 ASN CB C 55 37.234 38.062 -0.828 1
1 652 . 8 1 1 A 55 55 ASN N N 55 123.893 121.597 2.296 1
1 654 . 8 1 1 A 56 56 TYR H H 56 7.584 7.330 0.254 1
1 655 . 8 1 1 A 56 56 TYR HA H 56 4.892 5.190 -0.298 1
1 662 . 8 1 1 A 56 56 TYR C C 56 177.276 176.064 1.212 1
1 663 . 8 1 1 A 56 56 TYR CA C 56 54.447 57.909 -3.462 1
1 664 . 8 1 1 A 56 56 TYR CB C 56 38.633 39.751 -1.118 1
1 669 . 8 1 1 A 56 56 TYR N N 56 115.237 120.482 -5.245 1
1 670 . 8 1 1 A 57 57 CYS H H 57 9.149 8.593 0.556 1
1 671 . 8 1 1 A 57 57 CYS HA H 57 4.398 5.168 -0.770 1
1 674 . 8 1 1 A 57 57 CYS C C 57 175.600 174.600 1.000 1
1 675 . 8 1 1 A 57 57 CYS CA C 57 59.824 55.893 3.931 1
1 676 . 8 1 1 A 57 57 CYS CB C 57 48.356 42.792 5.564 1
1 677 . 8 1 1 A 57 57 CYS N N 57 119.273 121.833 -2.560 1
1 678 . 8 1 1 A 58 58 ARG H H 58 9.138 8.566 0.572 1
1 679 . 8 1 1 A 58 58 ARG HA H 58 4.918 5.048 -0.130 1
1 687 . 8 1 1 A 58 58 ARG C C 58 173.576 174.442 -0.866 1
1 688 . 8 1 1 A 58 58 ARG CA C 58 53.187 54.235 -1.048 1
1 689 . 8 1 1 A 58 58 ARG CB C 58 29.412 33.996 -4.584 1
1 692 . 8 1 1 A 58 58 ARG N N 58 122.881 125.407 -2.526 1
1 694 . 8 1 1 A 59 59 ASN H H 59 8.868 8.591 0.277 1
1 695 . 8 1 1 A 59 59 ASN HA H 59 5.513 5.147 0.366 1
1 700 . 8 1 1 A 59 59 ASN C C 59 172.824 173.890 -1.066 1
1 701 . 8 1 1 A 59 59 ASN CA C 59 53.176 50.133 3.043 1
1 702 . 8 1 1 A 59 59 ASN CB C 59 37.237 39.379 -2.142 1
1 703 . 8 1 1 A 59 59 ASN N N 59 113.603 119.328 -5.725 1
1 705 . 8 1 1 A 60 60 PRO HA H 60 4.712 4.289 0.423 1
1 712 . 8 1 1 A 60 60 PRO C C 60 175.715 178.615 -2.900 1
1 713 . 8 1 1 A 60 60 PRO CA C 60 63.643 64.853 -1.210 1
1 714 . 8 1 1 A 60 60 PRO CB C 60 32.507 31.607 0.900 1
1 717 . 8 1 1 A 61 61 ASP H H 61 8.883 8.036 0.847 1
1 718 . 8 1 1 A 61 61 ASP HA H 61 4.495 4.297 0.198 1
1 721 . 8 1 1 A 61 61 ASP C C 61 174.848 176.028 -1.180 1
1 722 . 8 1 1 A 61 61 ASP CA C 61 51.953 57.471 -5.518 1
1 723 . 8 1 1 A 61 61 ASP CB C 61 42.092 40.982 1.110 1
1 724 . 8 1 1 A 61 61 ASP N N 61 118.660 117.426 1.234 1
1 725 . 8 1 1 A 62 62 ARG H H 62 8.395 7.800 0.595 1
1 726 . 8 1 1 A 62 62 ARG HA H 62 3.789 3.908 -0.119 1
1 734 . 8 1 1 A 62 62 ARG C C 62 176.236 174.687 1.549 1
1 735 . 8 1 1 A 62 62 ARG CA C 62 57.318 56.916 0.402 1
1 736 . 8 1 1 A 62 62 ARG CB C 62 26.990 27.222 -0.232 1
1 739 . 8 1 1 A 62 62 ARG N N 62 116.013 116.300 -0.287 1
1 741 . 8 1 1 A 63 63 ASP H H 63 9.735 8.034 1.701 1
1 742 . 8 1 1 A 63 63 ASP HA H 63 4.769 4.705 0.064 1
1 745 . 8 1 1 A 63 63 ASP C C 63 177.334 176.848 0.486 1
1 746 . 8 1 1 A 63 63 ASP CA C 63 51.973 53.175 -1.202 1
1 747 . 8 1 1 A 63 63 ASP CB C 63 42.698 42.614 0.084 1
1 748 . 8 1 1 A 63 63 ASP N N 63 121.799 117.884 3.915 1
1 749 . 8 1 1 A 64 64 LEU H H 64 10.919 8.584 2.335 1
1 750 . 8 1 1 A 64 64 LEU HA H 64 3.995 4.188 -0.193 1
1 760 . 8 1 1 A 64 64 LEU C C 64 176.467 176.460 0.007 1
1 761 . 8 1 1 A 64 64 LEU CA C 64 57.772 57.719 0.053 1
1 762 . 8 1 1 A 64 64 LEU CB C 64 43.630 42.812 0.818 1
1 766 . 8 1 1 A 64 64 LEU N N 64 121.789 124.442 -2.653 1
1 767 . 8 1 1 A 65 65 ARG H H 65 7.633 7.796 -0.163 1
1 768 . 8 1 1 A 65 65 ARG HA H 65 5.006 4.849 0.157 1
1 776 . 8 1 1 A 65 65 ARG C C 65 172.130 174.159 -2.029 1
1 777 . 8 1 1 A 65 65 ARG CA C 65 53.368 54.223 -0.855 1
1 778 . 8 1 1 A 65 65 ARG CB C 65 28.429 32.568 -4.139 1
1 781 . 8 1 1 A 65 65 ARG N N 65 108.790 114.519 -5.729 1
1 783 . 8 1 1 A 66 66 PRO HA H 66 4.281 4.658 -0.377 1
1 790 . 8 1 1 A 66 66 PRO C C 66 172.940 176.324 -3.384 1
1 791 . 8 1 1 A 66 66 PRO CA C 66 63.677 63.254 0.423 1
1 792 . 8 1 1 A 66 66 PRO CB C 66 32.592 33.028 -0.436 1
1 795 . 8 1 1 A 67 67 TRP H H 67 8.716 8.470 0.246 1
1 796 . 8 1 1 A 67 67 TRP HA H 67 5.406 5.352 0.054 1
1 805 . 8 1 1 A 67 67 TRP C C 67 172.919 173.957 -1.038 1
1 806 . 8 1 1 A 67 67 TRP CA C 67 56.035 55.322 0.713 1
1 807 . 8 1 1 A 67 67 TRP CB C 67 34.026 31.888 2.138 1
1 813 . 8 1 1 A 67 67 TRP N N 67 121.250 118.260 2.990 1
1 815 . 8 1 1 A 68 68 CYS H H 68 8.384 9.052 -0.668 1
1 816 . 8 1 1 A 68 68 CYS HA H 68 4.265 4.717 -0.452 1
1 819 . 8 1 1 A 68 68 CYS C C 68 175.079 172.913 2.166 1
1 820 . 8 1 1 A 68 68 CYS CA C 68 55.876 55.441 0.435 1
1 821 . 8 1 1 A 68 68 CYS CB C 68 42.232 46.057 -3.825 1
1 822 . 8 1 1 A 68 68 CYS N N 68 109.624 117.576 -7.952 1
1 823 . 8 1 1 A 69 69 PHE H H 69 8.031 8.353 -0.322 1
1 824 . 8 1 1 A 69 69 PHE HA H 69 5.420 4.948 0.472 1
1 832 . 8 1 1 A 69 69 PHE C C 69 176.814 175.959 0.855 1
1 833 . 8 1 1 A 69 69 PHE CA C 69 59.299 57.985 1.314 1
1 834 . 8 1 1 A 69 69 PHE CB C 69 38.411 39.468 -1.057 1
1 840 . 8 1 1 A 69 69 PHE N N 69 120.433 122.030 -1.597 1
1 841 . 8 1 1 A 70 70 THR H H 70 8.002 8.573 -0.571 1
1 842 . 8 1 1 A 70 70 THR HA H 70 5.408 4.943 0.465 1
1 848 . 8 1 1 A 70 70 THR C C 70 173.518 175.944 -2.426 1
1 849 . 8 1 1 A 70 70 THR CA C 70 61.208 60.601 0.607 1
1 850 . 8 1 1 A 70 70 THR CB C 70 70.441 71.255 -0.814 1
1 852 . 8 1 1 A 70 70 THR N N 70 112.351 114.670 -2.319 1
1 853 . 8 1 1 A 71 71 THR H H 71 8.126 8.584 -0.458 1
1 854 . 8 1 1 A 71 71 THR HA H 71 4.037 4.214 -0.177 1
1 860 . 8 1 1 A 71 71 THR C C 71 174.903 174.332 0.571 1
1 861 . 8 1 1 A 71 71 THR CA C 71 62.413 63.411 -0.998 1
1 862 . 8 1 1 A 71 71 THR CB C 71 69.167 69.067 0.100 1
1 864 . 8 1 1 A 71 71 THR N N 71 104.863 113.489 -8.626 1
1 865 . 8 1 1 A 72 72 ASP H H 72 9.024 7.919 1.105 1
1 866 . 8 1 1 A 72 72 ASP HA H 72 4.936 4.883 0.053 1
1 869 . 8 1 1 A 72 72 ASP C C 72 176.929 175.823 1.106 1
1 870 . 8 1 1 A 72 72 ASP CA C 72 51.333 51.928 -0.595 1
1 871 . 8 1 1 A 72 72 ASP CB C 72 43.416 42.768 0.648 1
1 872 . 8 1 1 A 72 72 ASP N N 72 126.242 123.947 2.295 1
1 873 . 8 1 1 A 73 73 PRO HA H 73 3.962 4.454 -0.492 1
1 880 . 8 1 1 A 73 73 PRO C C 73 177.045 178.013 -0.968 1
1 881 . 8 1 1 A 73 73 PRO CA C 73 64.632 64.515 0.117 1
1 882 . 8 1 1 A 73 73 PRO CB C 73 32.460 31.857 0.603 1
1 885 . 8 1 1 A 74 74 ASN H H 74 8.943 8.368 0.575 1
1 886 . 8 1 1 A 74 74 ASN HA H 74 4.854 4.569 0.285 1
1 891 . 8 1 1 A 74 74 ASN C C 74 174.443 175.787 -1.344 1
1 892 . 8 1 1 A 74 74 ASN CA C 74 53.380 56.220 -2.840 1
1 893 . 8 1 1 A 74 74 ASN CB C 74 39.333 39.034 0.299 1
1 894 . 8 1 1 A 74 74 ASN N N 74 114.144 115.177 -1.033 1
1 896 . 8 1 1 A 75 75 LYS H H 75 7.795 7.890 -0.095 1
1 897 . 8 1 1 A 75 75 LYS HA H 75 4.571 4.346 0.225 1
1 906 . 8 1 1 A 75 75 LYS C C 75 173.402 176.779 -3.377 1
1 907 . 8 1 1 A 75 75 LYS CA C 75 54.154 55.648 -1.494 1
1 908 . 8 1 1 A 75 75 LYS CB C 75 32.186 32.997 -0.811 1
1 912 . 8 1 1 A 75 75 LYS N N 75 122.835 118.431 4.404 1
1 913 . 8 1 1 A 76 76 ARG H H 76 9.132 8.840 0.292 1
1 914 . 8 1 1 A 76 76 ARG HA H 76 4.555 3.969 0.586 1
1 922 . 8 1 1 A 76 76 ARG C C 76 175.137 175.929 -0.792 1
1 923 . 8 1 1 A 76 76 ARG CA C 76 60.532 57.695 2.837 1
1 924 . 8 1 1 A 76 76 ARG CB C 76 29.307 31.628 -2.321 1
1 927 . 8 1 1 A 76 76 ARG N N 76 129.676 125.409 4.267 1
1 929 . 8 1 1 A 77 77 TRP H H 77 7.559 7.441 0.118 1
1 930 . 8 1 1 A 77 77 TRP HA H 77 5.357 5.013 0.344 1
1 939 . 8 1 1 A 77 77 TRP C C 77 172.940 174.128 -1.188 1
1 940 . 8 1 1 A 77 77 TRP CA C 77 55.044 55.745 -0.701 1
1 941 . 8 1 1 A 77 77 TRP CB C 77 31.951 31.027 0.924 1
1 947 . 8 1 1 A 77 77 TRP N N 77 109.174 114.280 -5.106 1
1 949 . 8 1 1 A 78 78 GLU H H 78 8.638 8.849 -0.211 1
1 950 . 8 1 1 A 78 78 GLU HA H 78 3.671 4.529 -0.858 1
1 955 . 8 1 1 A 78 78 GLU C C 78 174.501 175.940 -1.439 1
1 956 . 8 1 1 A 78 78 GLU CA C 78 55.659 54.630 1.029 1
1 957 . 8 1 1 A 78 78 GLU CB C 78 34.557 34.176 0.381 1
1 959 . 8 1 1 A 78 78 GLU N N 78 118.907 119.174 -0.267 1
1 960 . 8 1 1 A 79 79 TYR H H 79 7.636 8.716 -1.080 1
1 961 . 8 1 1 A 79 79 TYR HA H 79 4.995 5.010 -0.015 1
1 968 . 8 1 1 A 79 79 TYR C C 79 175.889 175.825 0.064 1
1 969 . 8 1 1 A 79 79 TYR CA C 79 60.120 58.958 1.162 1
1 970 . 8 1 1 A 79 79 TYR CB C 79 39.789 38.855 0.934 1
1 975 . 8 1 1 A 79 79 TYR N N 79 119.277 120.126 -0.849 1
1 976 . 8 1 1 A 80 80 CYS H H 80 9.398 8.667 0.731 1
1 977 . 8 1 1 A 80 80 CYS HA H 80 4.720 5.463 -0.743 1
1 980 . 8 1 1 A 80 80 CYS C C 80 172.419 172.027 0.392 1
1 981 . 8 1 1 A 80 80 CYS CA C 80 54.618 54.752 -0.134 1
1 982 . 8 1 1 A 80 80 CYS CB C 80 46.736 45.622 1.114 1
1 983 . 8 1 1 A 80 80 CYS N N 80 118.623 121.131 -2.508 1
1 984 . 8 1 1 A 81 81 ASP H H 81 9.729 8.923 0.806 1
1 985 . 8 1 1 A 81 81 ASP HA H 81 4.781 4.842 -0.061 1
1 988 . 8 1 1 A 81 81 ASP C C 81 173.576 174.598 -1.022 1
1 989 . 8 1 1 A 81 81 ASP CA C 81 52.855 53.067 -0.212 1
1 990 . 8 1 1 A 81 81 ASP CB C 81 40.733 40.636 0.097 1
1 991 . 8 1 1 A 81 81 ASP N N 81 124.777 126.409 -1.632 1
1 992 . 8 1 1 A 82 82 ILE H H 82 7.820 8.117 -0.297 1
1 993 . 8 1 1 A 82 82 ILE HA H 82 4.320 4.414 -0.094 1
1 1003 . 8 1 1 A 82 82 ILE C C 82 173.923 174.112 -0.189 1
1 1004 . 8 1 1 A 82 82 ILE CA C 82 56.118 57.927 -1.809 1
1 1005 . 8 1 1 A 82 82 ILE CB C 82 38.166 37.623 0.543 1
1 1009 . 8 1 1 A 82 82 ILE N N 82 125.281 126.409 -1.128 1
1 1010 . 8 1 1 A 83 83 PRO HA H 83 4.337 4.389 -0.052 1
1 1017 . 8 1 1 A 83 83 PRO C C 83 175.167 175.957 -0.790 1
1 1018 . 8 1 1 A 83 83 PRO CA C 83 62.844 63.290 -0.446 1
1 1019 . 8 1 1 A 83 83 PRO CB C 83 32.450 32.191 0.259 1
1 1022 . 8 1 1 A 84 84 ARG H H 84 8.656 8.288 0.368 1
1 1023 . 8 1 1 A 84 84 ARG HA H 84 4.658 4.946 -0.288 1
1 1031 . 8 1 1 A 84 84 ARG C C 84 175.137 174.732 0.405 1
1 1032 . 8 1 1 A 84 84 ARG CA C 84 55.617 54.225 1.392 1
1 1033 . 8 1 1 A 84 84 ARG CB C 84 30.482 33.433 -2.951 1
1 1036 . 8 1 1 A 84 84 ARG N N 84 122.316 117.195 5.121 1
1 1038 . 8 1 1 A 85 85 CYS H H 85 8.783 8.905 -0.122 1
1 1039 . 8 1 1 A 85 85 CYS HA H 85 4.479 4.791 -0.312 1
1 1042 . 8 1 1 A 85 85 CYS C C 85 174.906 174.361 0.545 1
1 1043 . 8 1 1 A 85 85 CYS CA C 85 54.177 54.498 -0.321 1
1 1044 . 8 1 1 A 85 85 CYS CB C 85 39.574 42.683 -3.109 1
1 1045 . 8 1 1 A 85 85 CYS N N 85 124.002 120.937 3.065 1
1 1046 . 8 1 1 A 86 86 ALA H H 86 8.746 8.995 -0.249 1
1 1047 . 8 1 1 A 86 86 ALA HA H 86 4.255 4.270 -0.015 1
1 1051 . 8 1 1 A 86 86 ALA C C 86 176.236 177.456 -1.220 1
1 1052 . 8 1 1 A 86 86 ALA CA C 86 53.067 53.249 -0.182 1
1 1053 . 8 1 1 A 86 86 ALA CB C 86 19.034 18.604 0.430 1
1 1054 . 8 1 1 A 86 86 ALA N N 86 126.444 127.966 -1.522 1
1 1064 . 8 2 2 B 2 2 SER HA H 100 4.570 4.882 -0.312 1
1 1067 . 8 2 2 B 2 2 SER C C 100 174.779 174.360 0.419 1
1 1068 . 8 2 2 B 2 2 SER CA C 100 58.624 57.107 1.517 1
1 1069 . 8 2 2 B 2 2 SER CB C 100 63.939 64.134 -0.195 1
1 1070 . 8 2 2 B 3 3 VAL H H 101 8.341 8.030 0.311 1
1 1071 . 8 2 2 B 3 3 VAL HA H 101 4.151 3.772 0.379 1
1 1079 . 8 2 2 B 3 3 VAL C C 101 176.450 175.658 0.792 1
1 1080 . 8 2 2 B 3 3 VAL CA C 101 62.793 63.535 -0.742 1
1 1081 . 8 2 2 B 3 3 VAL CB C 101 32.495 29.639 2.856 1
1 1084 . 8 2 2 B 3 3 VAL N N 101 121.954 119.101 2.853 1
1 1085 . 8 2 2 B 4 4 GLU H H 102 8.521 7.876 0.645 1
1 1086 . 8 2 2 B 4 4 GLU HA H 102 4.291 4.330 -0.039 1
1 1091 . 8 2 2 B 4 4 GLU C C 102 176.450 176.510 -0.060 1
1 1092 . 8 2 2 B 4 4 GLU CA C 102 56.955 55.216 1.739 1
1 1093 . 8 2 2 B 4 4 GLU CB C 102 30.233 28.005 2.228 1
1 1095 . 8 2 2 B 4 4 GLU N N 102 124.722 123.411 1.311 1
1 1096 . 8 2 2 B 5 5 LYS H H 103 8.323 8.615 -0.292 1
1 1097 . 8 2 2 B 5 5 LYS HA H 103 4.313 4.431 -0.118 1
1 1106 . 8 2 2 B 5 5 LYS C C 103 176.784 176.104 0.680 1
1 1107 . 8 2 2 B 5 5 LYS CA C 103 56.688 57.340 -0.652 1
1 1108 . 8 2 2 B 5 5 LYS CB C 103 30.228 33.426 -3.198 1
1 1112 . 8 2 2 B 5 5 LYS N N 103 122.689 127.533 -4.844 1
1 1113 . 8 2 2 B 6 6 LEU H H 104 8.369 7.512 0.857 1
1 1114 . 8 2 2 B 6 6 LEU HA H 104 4.500 4.803 -0.303 1
1 1124 . 8 2 2 B 6 6 LEU C C 104 177.632 175.481 2.151 1
1 1125 . 8 2 2 B 6 6 LEU CA C 104 55.480 53.601 1.879 1
1 1126 . 8 2 2 B 6 6 LEU CB C 104 42.587 43.400 -0.813 1
1 1130 . 8 2 2 B 6 6 LEU N N 104 123.373 120.333 3.040 1
1 1131 . 8 2 2 B 7 7 THR HA H 105 4.558 4.866 -0.308 1
1 1137 . 8 2 2 B 7 7 THR C C 105 175.614 174.154 1.460 1
1 1138 . 8 2 2 B 7 7 THR CA C 105 62.000 60.014 1.986 1
1 1139 . 8 2 2 B 7 7 THR CB C 105 70.090 70.625 -0.535 1
1 1141 . 8 2 2 B 8 8 ALA H H 106 8.649 8.932 -0.283 1
1 1142 . 8 2 2 B 8 8 ALA HA H 106 4.458 4.047 0.411 1
1 1146 . 8 2 2 B 8 8 ALA C C 106 179.290 179.250 0.040 1
1 1147 . 8 2 2 B 8 8 ALA CA C 106 55.552 55.691 -0.139 1
1 1148 . 8 2 2 B 8 8 ALA CB C 106 18.704 18.259 0.445 1
1 1149 . 8 2 2 B 8 8 ALA N N 106 124.857 126.757 -1.900 1
1 1150 . 8 2 2 B 9 9 ASP H H 107 8.286 8.332 -0.046 1
1 1151 . 8 2 2 B 9 9 ASP HA H 107 4.457 4.370 0.087 1
1 1154 . 8 2 2 B 9 9 ASP C C 107 178.845 178.013 0.832 1
1 1155 . 8 2 2 B 9 9 ASP CA C 107 57.733 57.010 0.723 1
1 1156 . 8 2 2 B 9 9 ASP CB C 107 40.881 41.382 -0.501 1
1 1157 . 8 2 2 B 9 9 ASP N N 107 115.621 118.239 -2.618 1
1 1158 . 8 2 2 B 10 10 ALA H H 108 7.887 8.155 -0.268 1
1 1159 . 8 2 2 B 10 10 ALA HA H 108 4.182 4.116 0.066 1
1 1163 . 8 2 2 B 10 10 ALA C C 108 180.906 179.657 1.249 1
1 1164 . 8 2 2 B 10 10 ALA CA C 108 55.014 54.905 0.109 1
1 1165 . 8 2 2 B 10 10 ALA CB C 108 18.631 18.209 0.422 1
1 1166 . 8 2 2 B 10 10 ALA N N 108 122.756 121.607 1.149 1
1 1167 . 8 2 2 B 11 11 GLU H H 109 8.390 7.822 0.568 1
1 1168 . 8 2 2 B 11 11 GLU HA H 109 4.256 4.181 0.075 1
1 1173 . 8 2 2 B 11 11 GLU C C 109 178.678 178.999 -0.321 1
1 1174 . 8 2 2 B 11 11 GLU CA C 109 59.105 58.438 0.667 1
1 1175 . 8 2 2 B 11 11 GLU CB C 109 29.559 29.587 -0.028 1
1 1177 . 8 2 2 B 11 11 GLU N N 109 121.999 118.819 3.180 1
1 1178 . 8 2 2 B 12 12 LEU H H 110 8.395 8.610 -0.215 1
1 1179 . 8 2 2 B 12 12 LEU HA H 110 3.808 3.986 -0.178 1
1 1189 . 8 2 2 B 12 12 LEU C C 110 178.288 179.428 -1.140 1
1 1190 . 8 2 2 B 12 12 LEU CA C 110 58.407 58.039 0.368 1
1 1191 . 8 2 2 B 12 12 LEU CB C 110 41.329 41.168 0.161 1
1 1195 . 8 2 2 B 12 12 LEU N N 110 119.939 120.147 -0.208 1
1 1196 . 8 2 2 B 13 13 GLN H H 111 7.761 8.733 -0.972 1
1 1197 . 8 2 2 B 13 13 GLN HA H 111 4.008 3.943 0.065 1
1 1202 . 8 2 2 B 13 13 GLN C C 111 177.954 179.000 -1.046 1
1 1203 . 8 2 2 B 13 13 GLN CA C 111 58.674 59.303 -0.629 1
1 1204 . 8 2 2 B 13 13 GLN CB C 111 28.513 28.445 0.068 1
1 1206 . 8 2 2 B 13 13 GLN N N 111 117.305 118.188 -0.883 1
1 1207 . 8 2 2 B 14 14 ARG H H 112 7.752 7.508 0.244 1
1 1208 . 8 2 2 B 14 14 ARG HA H 112 4.053 4.095 -0.042 1
1 1216 . 8 2 2 B 14 14 ARG C C 112 179.625 178.517 1.108 1
1 1217 . 8 2 2 B 14 14 ARG CA C 112 59.770 59.149 0.621 1
1 1218 . 8 2 2 B 14 14 ARG CB C 112 29.884 30.390 -0.506 1
1 1221 . 8 2 2 B 14 14 ARG N N 112 121.241 118.949 2.292 1
1 1223 . 8 2 2 B 15 15 LEU H H 113 8.478 8.062 0.416 1
1 1224 . 8 2 2 B 15 15 LEU HA H 113 3.974 4.011 -0.037 1
1 1234 . 8 2 2 B 15 15 LEU C C 113 180.627 179.282 1.345 1
1 1235 . 8 2 2 B 15 15 LEU CA C 113 58.251 57.679 0.572 1
1 1236 . 8 2 2 B 15 15 LEU CB C 113 41.751 41.323 0.428 1
1 1240 . 8 2 2 B 15 15 LEU N N 113 120.898 119.197 1.701 1
1 1241 . 8 2 2 B 16 16 LYS H H 114 8.437 8.369 0.068 1
1 1242 . 8 2 2 B 16 16 LYS HA H 114 3.368 3.820 -0.452 1
1 1251 . 8 2 2 B 16 16 LYS C C 114 178.288 178.818 -0.530 1
1 1252 . 8 2 2 B 16 16 LYS CA C 114 60.242 59.803 0.439 1
1 1253 . 8 2 2 B 16 16 LYS CB C 114 30.249 32.108 -1.859 1
1 1257 . 8 2 2 B 16 16 LYS N N 114 123.214 120.929 2.285 1
1 1258 . 8 2 2 B 17 17 ASN H H 115 8.137 8.764 -0.627 1
1 1259 . 8 2 2 B 17 17 ASN HA H 115 4.270 4.541 -0.271 1
1 1264 . 8 2 2 B 17 17 ASN C C 115 178.288 177.446 0.842 1
1 1265 . 8 2 2 B 17 17 ASN CA C 115 56.318 56.184 0.134 1
1 1266 . 8 2 2 B 17 17 ASN CB C 115 37.573 37.390 0.183 1
1 1267 . 8 2 2 B 17 17 ASN N N 115 117.923 115.061 2.862 1
1 1269 . 8 2 2 B 18 18 GLU H H 116 8.110 8.333 -0.223 1
1 1270 . 8 2 2 B 18 18 GLU HA H 116 4.146 4.021 0.125 1
1 1275 . 8 2 2 B 18 18 GLU C C 116 178.956 178.675 0.281 1
1 1276 . 8 2 2 B 18 18 GLU CA C 116 59.659 59.579 0.080 1
1 1277 . 8 2 2 B 18 18 GLU CB C 116 29.950 29.176 0.774 1
1 1279 . 8 2 2 B 18 18 GLU N N 116 120.249 120.254 -0.005 1
1 1280 . 8 2 2 B 19 19 ARG H H 117 7.925 8.065 -0.140 1
1 1281 . 8 2 2 B 19 19 ARG HA H 117 4.057 4.044 0.013 1
1 1289 . 8 2 2 B 19 19 ARG C C 117 180.070 179.172 0.898 1
1 1290 . 8 2 2 B 19 19 ARG CA C 117 59.564 59.270 0.294 1
1 1291 . 8 2 2 B 19 19 ARG CB C 117 29.879 29.878 0.001 1
1 1294 . 8 2 2 B 19 19 ARG N N 117 119.801 118.525 1.276 1
1 1296 . 8 2 2 B 20 20 HIS H H 118 8.316 7.608 0.708 1
1 1297 . 8 2 2 B 20 20 HIS HA H 118 4.574 4.321 0.253 1
1 1304 . 8 2 2 B 20 20 HIS C C 118 176.784 177.848 -1.064 1
1 1305 . 8 2 2 B 20 20 HIS CA C 118 58.397 59.133 -0.736 1
1 1306 . 8 2 2 B 20 20 HIS CB C 118 29.343 30.055 -0.712 1
1 1309 . 8 2 2 B 20 20 HIS N N 118 117.802 118.863 -1.061 1
1 1310 . 8 2 2 B 21 21 GLU H H 119 8.400 8.396 0.004 1
1 1311 . 8 2 2 B 21 21 GLU HA H 119 4.268 3.823 0.445 1
1 1316 . 8 2 2 B 21 21 GLU C C 119 178.566 179.314 -0.748 1
1 1317 . 8 2 2 B 21 21 GLU CA C 119 59.105 59.860 -0.755 1
1 1318 . 8 2 2 B 21 21 GLU CB C 119 29.559 29.225 0.334 1
1 1320 . 8 2 2 B 21 21 GLU N N 119 121.996 119.745 2.251 1
1 1321 . 8 2 2 B 22 22 GLU H H 120 8.285 8.487 -0.202 1
1 1322 . 8 2 2 B 22 22 GLU HA H 120 4.204 4.074 0.130 1
1 1327 . 8 2 2 B 22 22 GLU C C 120 178.288 179.083 -0.795 1
1 1328 . 8 2 2 B 22 22 GLU CA C 120 58.841 59.040 -0.199 1
1 1329 . 8 2 2 B 22 22 GLU CB C 120 29.322 29.143 0.179 1
1 1331 . 8 2 2 B 22 22 GLU N N 120 119.798 120.527 -0.729 1
1 1332 . 8 2 2 B 23 23 ALA H H 121 8.037 8.334 -0.297 1
1 1333 . 8 2 2 B 23 23 ALA HA H 121 4.270 4.139 0.131 1
1 1337 . 8 2 2 B 23 23 ALA C C 121 179.569 179.443 0.126 1
1 1338 . 8 2 2 B 23 23 ALA CA C 121 54.158 54.854 -0.696 1
1 1339 . 8 2 2 B 23 23 ALA CB C 121 18.923 18.318 0.605 1
1 1340 . 8 2 2 B 23 23 ALA N N 121 122.418 122.416 0.002 1
1 1341 . 8 2 2 B 24 24 GLU H H 122 8.039 7.609 0.430 1
1 1342 . 8 2 2 B 24 24 GLU HA H 122 4.291 4.121 0.170 1
1 1347 . 8 2 2 B 24 24 GLU C C 122 177.954 179.621 -1.667 1
1 1348 . 8 2 2 B 24 24 GLU CA C 122 58.023 58.863 -0.840 1
1 1349 . 8 2 2 B 24 24 GLU CB C 122 29.566 29.569 -0.003 1
1 1351 . 8 2 2 B 24 24 GLU N N 122 119.517 118.446 1.071 1
1 1352 . 8 2 2 B 25 25 LEU H H 123 7.962 8.679 -0.717 1
1 1353 . 8 2 2 B 25 25 LEU HA H 123 4.226 4.002 0.224 1
1 1363 . 8 2 2 B 25 25 LEU C C 123 179.123 179.311 -0.188 1
1 1364 . 8 2 2 B 25 25 LEU CA C 123 57.213 58.121 -0.908 1
1 1365 . 8 2 2 B 25 25 LEU CB C 123 41.809 41.360 0.449 1
1 1369 . 8 2 2 B 25 25 LEU N N 123 120.617 120.457 0.160 1
1 1370 . 8 2 2 B 26 26 GLU H H 124 8.093 8.678 -0.585 1
1 1371 . 8 2 2 B 26 26 GLU HA H 124 4.140 3.931 0.209 1
1 1376 . 8 2 2 B 26 26 GLU C C 124 177.954 179.293 -1.339 1
1 1377 . 8 2 2 B 26 26 GLU CA C 124 58.095 59.909 -1.814 1
1 1378 . 8 2 2 B 26 26 GLU CB C 124 29.910 29.718 0.192 1
1 1380 . 8 2 2 B 26 26 GLU N N 124 119.473 118.573 0.900 1
1 1381 . 8 2 2 B 27 27 ARG H H 125 7.954 7.582 0.372 1
1 1382 . 8 2 2 B 27 27 ARG HA H 125 4.210 4.091 0.119 1
1 1390 . 8 2 2 B 27 27 ARG C C 125 177.619 178.299 -0.680 1
1 1391 . 8 2 2 B 27 27 ARG CA C 125 57.677 58.987 -1.310 1
1 1392 . 8 2 2 B 27 27 ARG CB C 125 30.374 29.825 0.549 1
1 1395 . 8 2 2 B 27 27 ARG N N 125 120.670 120.392 0.278 1
1 1397 . 8 2 2 B 28 28 LEU H H 126 8.038 8.477 -0.439 1
1 1398 . 8 2 2 B 28 28 LEU HA H 126 4.270 4.114 0.156 1
1 1408 . 8 2 2 B 28 28 LEU C C 126 178.065 178.448 -0.383 1
1 1409 . 8 2 2 B 28 28 LEU CA C 126 56.096 57.476 -1.380 1
1 1410 . 8 2 2 B 28 28 LEU CB C 126 42.252 42.080 0.172 1
1 1414 . 8 2 2 B 28 28 LEU N N 126 120.818 120.640 0.178 1
1 1415 . 8 2 2 B 29 29 LYS H H 127 7.944 8.227 -0.283 1
1 1416 . 8 2 2 B 29 29 LYS HA H 127 4.270 4.094 0.176 1
1 1425 . 8 2 2 B 29 29 LYS C C 127 176.951 178.053 -1.102 1
1 1426 . 8 2 2 B 29 29 LYS CA C 127 57.168 58.678 -1.510 1
1 1427 . 8 2 2 B 29 29 LYS CB C 127 32.755 32.181 0.574 1
1 1431 . 8 2 2 B 29 29 LYS N N 127 119.960 119.897 0.063 1
1 1432 . 8 2 2 B 30 30 SER H H 128 8.030 7.871 0.159 1
1 1433 . 8 2 2 B 30 30 SER HA H 128 4.466 4.637 -0.171 1
1 1436 . 8 2 2 B 30 30 SER C C 128 176.101 173.608 2.493 1
1 1437 . 8 2 2 B 30 30 SER CA C 128 58.590 57.894 0.696 1
1 1438 . 8 2 2 B 30 30 SER CB C 128 63.939 64.075 -0.136 1
1 1439 . 8 2 2 B 30 30 SER N N 128 115.496 109.663 5.833 1
1 1440 . 8 2 2 B 31 31 GLU H H 129 8.157 7.878 0.279 1
1 1441 . 8 2 2 B 31 31 GLU HA H 129 4.291 4.855 -0.564 1
1 1446 . 8 2 2 B 31 31 GLU C C 129 175.112 174.684 0.428 1
1 1447 . 8 2 2 B 31 31 GLU CA C 129 56.654 54.924 1.730 1
1 1448 . 8 2 2 B 31 31 GLU CB C 129 30.389 32.663 -2.274 1
1 1450 . 8 2 2 B 31 31 GLU N N 129 122.569 120.346 2.223 1
1 1 . 9 1 1 A 2 2 VAL H H 2 7.944 8.800 -0.856 1
1 2 . 9 1 1 A 2 2 VAL HA H 2 4.035 4.533 -0.498 1
1 10 . 9 1 1 A 2 2 VAL C C 2 174.807 175.766 -0.959 1
1 11 . 9 1 1 A 2 2 VAL CA C 2 61.947 61.554 0.393 1
1 12 . 9 1 1 A 2 2 VAL CB C 2 33.175 31.023 2.152 1
1 15 . 9 1 1 A 2 2 VAL N N 2 123.960 120.049 3.911 1
1 16 . 9 1 1 A 3 3 GLU H H 3 8.465 8.794 -0.329 1
1 17 . 9 1 1 A 3 3 GLU HA H 3 4.168 4.712 -0.544 1
1 22 . 9 1 1 A 3 3 GLU C C 3 175.888 176.677 -0.789 1
1 23 . 9 1 1 A 3 3 GLU CA C 3 56.487 57.575 -1.088 1
1 24 . 9 1 1 A 3 3 GLU CB C 3 30.349 32.379 -2.030 1
1 26 . 9 1 1 A 3 3 GLU N N 3 125.549 126.516 -0.967 1
1 27 . 9 1 1 A 4 4 PHE H H 4 8.330 8.022 0.308 1
1 28 . 9 1 1 A 4 4 PHE HA H 4 4.651 4.753 -0.102 1
1 36 . 9 1 1 A 4 4 PHE C C 4 175.550 175.599 -0.049 1
1 37 . 9 1 1 A 4 4 PHE CA C 4 57.827 58.848 -1.021 1
1 38 . 9 1 1 A 4 4 PHE CB C 4 39.623 41.392 -1.769 1
1 44 . 9 1 1 A 4 4 PHE N N 4 121.869 117.953 3.916 1
1 45 . 9 1 1 A 5 5 SER H H 5 8.177 8.332 -0.155 1
1 46 . 9 1 1 A 5 5 SER HA H 5 4.395 4.216 0.179 1
1 49 . 9 1 1 A 5 5 SER C C 5 173.996 174.310 -0.314 1
1 50 . 9 1 1 A 5 5 SER CA C 5 58.045 59.517 -1.472 1
1 51 . 9 1 1 A 5 5 SER CB C 5 64.050 61.903 2.147 1
1 52 . 9 1 1 A 5 5 SER N N 5 117.865 113.416 4.449 1
1 53 . 9 1 1 A 6 6 GLU H H 6 8.425 8.675 -0.250 1
1 54 . 9 1 1 A 6 6 GLU HA H 6 4.290 4.140 0.150 1
1 59 . 9 1 1 A 6 6 GLU C C 6 176.699 176.619 0.080 1
1 60 . 9 1 1 A 6 6 GLU CA C 6 56.479 57.302 -0.823 1
1 61 . 9 1 1 A 6 6 GLU CB C 6 30.715 28.298 2.417 1
1 63 . 9 1 1 A 6 6 GLU N N 6 122.791 123.403 -0.612 1
1 64 . 9 1 1 A 7 7 GLU H H 7 8.421 8.485 -0.064 1
1 65 . 9 1 1 A 7 7 GLU HA H 7 4.742 4.656 0.086 1
1 70 . 9 1 1 A 7 7 GLU C C 7 175.145 176.565 -1.420 1
1 71 . 9 1 1 A 7 7 GLU CA C 7 55.617 58.297 -2.680 1
1 72 . 9 1 1 A 7 7 GLU CB C 7 29.095 30.448 -1.353 1
1 74 . 9 1 1 A 7 7 GLU N N 7 122.775 125.005 -2.230 1
1 75 . 9 1 1 A 8 8 CYS H H 8 7.917 7.669 0.248 1
1 76 . 9 1 1 A 8 8 CYS HA H 8 4.969 5.164 -0.195 1
1 79 . 9 1 1 A 8 8 CYS C C 8 171.610 173.173 -1.563 1
1 80 . 9 1 1 A 8 8 CYS CA C 8 53.880 54.522 -0.642 1
1 81 . 9 1 1 A 8 8 CYS CB C 8 43.144 44.361 -1.217 1
1 82 . 9 1 1 A 8 8 CYS N N 8 115.067 116.038 -0.971 1
1 83 . 9 1 1 A 9 9 MET H H 9 9.379 8.967 0.412 1
1 84 . 9 1 1 A 9 9 MET HA H 9 5.049 4.838 0.211 1
1 89 . 9 1 1 A 9 9 MET C C 9 174.038 176.115 -2.077 1
1 90 . 9 1 1 A 9 9 MET CA C 9 53.312 54.343 -1.031 1
1 91 . 9 1 1 A 9 9 MET CB C 9 36.165 33.680 2.485 1
1 93 . 9 1 1 A 9 9 MET N N 9 117.763 123.182 -5.419 1
1 94 . 9 1 1 A 10 10 HIS H H 10 9.610 8.613 0.997 1
1 95 . 9 1 1 A 10 10 HIS HA H 10 4.877 4.388 0.489 1
1 102 . 9 1 1 A 10 10 HIS C C 10 176.698 176.070 0.628 1
1 103 . 9 1 1 A 10 10 HIS CA C 10 55.016 56.995 -1.979 1
1 104 . 9 1 1 A 10 10 HIS CB C 10 31.116 28.625 2.491 1
1 107 . 9 1 1 A 10 10 HIS N N 10 124.293 121.791 2.502 1
1 108 . 9 1 1 A 11 11 GLY H H 11 9.249 9.089 0.160 1
1 109 . 9 1 1 A 11 11 GLY HA2 H 11 4.104 3.776 0.328 1
1 110 . 9 1 1 A 11 11 GLY HA3 H 11 3.843 3.793 0.050 1
1 111 . 9 1 1 A 11 11 GLY C C 11 174.559 175.369 -0.810 1
1 112 . 9 1 1 A 11 11 GLY CA C 11 47.652 47.329 0.323 1
1 113 . 9 1 1 A 11 11 GLY N N 11 115.224 115.155 0.069 1
1 114 . 9 1 1 A 12 12 SER H H 12 8.999 8.696 0.303 1
1 115 . 9 1 1 A 12 12 SER HA H 12 4.653 4.907 -0.254 1
1 118 . 9 1 1 A 12 12 SER C C 12 176.178 174.931 1.247 1
1 119 . 9 1 1 A 12 12 SER CA C 12 57.731 60.336 -2.605 1
1 120 . 9 1 1 A 12 12 SER CB C 12 63.439 63.767 -0.328 1
1 121 . 9 1 1 A 12 12 SER N N 12 121.965 120.964 1.001 1
1 122 . 9 1 1 A 13 13 GLY H H 13 9.022 8.005 1.017 1
1 123 . 9 1 1 A 13 13 GLY HA2 H 13 4.052 4.011 0.041 1
1 124 . 9 1 1 A 13 13 GLY HA3 H 13 3.957 4.049 -0.092 1
1 125 . 9 1 1 A 13 13 GLY C C 13 176.178 175.149 1.029 1
1 126 . 9 1 1 A 13 13 GLY CA C 13 47.972 46.007 1.965 1
1 127 . 9 1 1 A 13 13 GLY N N 13 109.294 109.216 0.078 1
1 128 . 9 1 1 A 14 14 GLU H H 14 9.552 8.146 1.406 1
1 129 . 9 1 1 A 14 14 GLU HA H 14 4.347 4.063 0.284 1
1 134 . 9 1 1 A 14 14 GLU C C 14 177.045 178.421 -1.376 1
1 135 . 9 1 1 A 14 14 GLU CA C 14 60.282 58.964 1.318 1
1 136 . 9 1 1 A 14 14 GLU CB C 14 29.145 29.470 -0.325 1
1 138 . 9 1 1 A 14 14 GLU N N 14 123.736 121.824 1.912 1
1 139 . 9 1 1 A 15 15 ASN H H 15 8.425 7.831 0.594 1
1 140 . 9 1 1 A 15 15 ASN HA H 15 5.030 4.764 0.266 1
1 144 . 9 1 1 A 15 15 ASN C C 15 174.848 174.951 -0.103 1
1 145 . 9 1 1 A 15 15 ASN CA C 15 51.725 52.741 -1.016 1
1 146 . 9 1 1 A 15 15 ASN CB C 15 38.404 38.661 -0.257 1
1 147 . 9 1 1 A 15 15 ASN N N 15 112.918 117.104 -4.186 1
1 150 . 9 1 1 A 16 16 TYR H H 16 7.622 7.629 -0.007 1
1 151 . 9 1 1 A 16 16 TYR HA H 16 4.445 4.672 -0.227 1
1 159 . 9 1 1 A 16 16 TYR C C 16 175.773 175.585 0.188 1
1 160 . 9 1 1 A 16 16 TYR CA C 16 60.125 56.725 3.400 1
1 161 . 9 1 1 A 16 16 TYR CB C 16 38.590 38.136 0.454 1
1 166 . 9 1 1 A 16 16 TYR N N 16 121.437 121.698 -0.261 1
1 167 . 9 1 1 A 17 17 ASP H H 17 8.722 8.304 0.418 1
1 168 . 9 1 1 A 17 17 ASP HA H 17 4.599 4.691 -0.092 1
1 171 . 9 1 1 A 17 17 ASP C C 17 175.748 176.315 -0.567 1
1 172 . 9 1 1 A 17 17 ASP CA C 17 52.327 52.869 -0.542 1
1 173 . 9 1 1 A 17 17 ASP CB C 17 42.265 40.159 2.106 1
1 174 . 9 1 1 A 17 17 ASP N N 17 130.345 125.858 4.487 1
1 175 . 9 1 1 A 18 18 GLY H H 18 4.504 6.868 -2.364 1
1 176 . 9 1 1 A 18 18 GLY HA2 H 18 4.092 3.198 0.894 1
1 177 . 9 1 1 A 18 18 GLY HA3 H 18 3.786 3.665 0.121 1
1 178 . 9 1 1 A 18 18 GLY C C 18 174.732 173.969 0.763 1
1 179 . 9 1 1 A 18 18 GLY CA C 18 44.739 43.942 0.797 1
1 180 . 9 1 1 A 18 18 GLY N N 18 104.445 108.344 -3.899 1
1 181 . 9 1 1 A 19 19 LYS H H 19 9.272 8.273 0.999 1
1 182 . 9 1 1 A 19 19 LYS HA H 19 3.248 3.093 0.155 1
1 191 . 9 1 1 A 19 19 LYS C C 19 176.409 175.469 0.940 1
1 192 . 9 1 1 A 19 19 LYS CA C 19 55.454 54.684 0.770 1
1 193 . 9 1 1 A 19 19 LYS CB C 19 32.499 31.536 0.963 1
1 197 . 9 1 1 A 19 19 LYS N N 19 117.569 118.491 -0.922 1
1 198 . 9 1 1 A 20 20 ILE H H 20 7.559 7.089 0.470 1
1 199 . 9 1 1 A 20 20 ILE HA H 20 3.991 4.124 -0.133 1
1 209 . 9 1 1 A 20 20 ILE C C 20 176.756 175.941 0.815 1
1 210 . 9 1 1 A 20 20 ILE CA C 20 64.261 62.403 1.858 1
1 211 . 9 1 1 A 20 20 ILE CB C 20 36.212 38.458 -2.246 1
1 215 . 9 1 1 A 20 20 ILE N N 20 122.778 123.305 -0.527 1
1 216 . 9 1 1 A 21 21 SER H H 21 8.817 8.928 -0.111 1
1 217 . 9 1 1 A 21 21 SER HA H 21 5.128 5.124 0.004 1
1 220 . 9 1 1 A 21 21 SER C C 21 172.708 173.918 -1.210 1
1 221 . 9 1 1 A 21 21 SER CA C 21 57.513 57.491 0.022 1
1 222 . 9 1 1 A 21 21 SER CB C 21 65.126 64.512 0.614 1
1 223 . 9 1 1 A 21 21 SER N N 21 122.859 121.387 1.472 1
1 224 . 9 1 1 A 22 22 LYS H H 22 7.150 7.706 -0.556 1
1 225 . 9 1 1 A 22 22 LYS HA H 22 5.530 5.390 0.140 1
1 234 . 9 1 1 A 22 22 LYS C C 22 176.120 176.135 -0.015 1
1 235 . 9 1 1 A 22 22 LYS CA C 22 53.471 54.735 -1.264 1
1 236 . 9 1 1 A 22 22 LYS CB C 22 37.049 36.115 0.934 1
1 240 . 9 1 1 A 22 22 LYS N N 22 119.681 120.905 -1.224 1
1 241 . 9 1 1 A 23 23 THR H H 23 9.134 8.800 0.334 1
1 242 . 9 1 1 A 23 23 THR HA H 23 4.630 4.777 -0.147 1
1 248 . 9 1 1 A 23 23 THR C C 23 177.971 176.074 1.897 1
1 249 . 9 1 1 A 23 23 THR CA C 23 61.032 60.566 0.466 1
1 250 . 9 1 1 A 23 23 THR CB C 23 70.818 71.160 -0.342 1
1 252 . 9 1 1 A 23 23 THR N N 23 111.072 113.650 -2.578 1
1 253 . 9 1 1 A 24 24 MET H H 24 9.383 8.993 0.390 1
1 254 . 9 1 1 A 24 24 MET HA H 24 4.168 4.228 -0.060 1
1 259 . 9 1 1 A 24 24 MET C C 24 176.122 176.638 -0.516 1
1 260 . 9 1 1 A 24 24 MET CA C 24 58.704 57.693 1.011 1
1 261 . 9 1 1 A 24 24 MET CB C 24 32.546 32.439 0.107 1
1 263 . 9 1 1 A 24 24 MET N N 24 118.120 119.744 -1.624 1
1 264 . 9 1 1 A 25 25 SER H H 25 7.763 8.060 -0.297 1
1 265 . 9 1 1 A 25 25 SER HA H 25 4.575 4.475 0.100 1
1 269 . 9 1 1 A 25 25 SER C C 25 174.848 175.649 -0.801 1
1 270 . 9 1 1 A 25 25 SER CA C 25 58.895 58.891 0.004 1
1 271 . 9 1 1 A 25 25 SER CB C 25 62.844 64.694 -1.850 1
1 272 . 9 1 1 A 25 25 SER N N 25 113.626 110.847 2.779 1
1 273 . 9 1 1 A 26 26 GLY H H 26 8.136 8.097 0.039 1
1 274 . 9 1 1 A 26 26 GLY HA2 H 26 4.305 3.935 0.370 1
1 275 . 9 1 1 A 26 26 GLY HA3 H 26 3.503 3.940 -0.437 1
1 276 . 9 1 1 A 26 26 GLY C C 26 174.212 174.747 -0.535 1
1 277 . 9 1 1 A 26 26 GLY CA C 26 45.125 45.465 -0.340 1
1 278 . 9 1 1 A 26 26 GLY N N 26 110.819 111.439 -0.620 1
1 279 . 9 1 1 A 27 27 LEU H H 27 7.183 7.624 -0.441 1
1 280 . 9 1 1 A 27 27 LEU HA H 27 4.319 4.414 -0.095 1
1 290 . 9 1 1 A 27 27 LEU C C 27 176.178 176.594 -0.416 1
1 291 . 9 1 1 A 27 27 LEU CA C 27 54.211 54.812 -0.601 1
1 292 . 9 1 1 A 27 27 LEU CB C 27 42.260 42.593 -0.333 1
1 296 . 9 1 1 A 27 27 LEU N N 27 120.765 122.098 -1.333 1
1 297 . 9 1 1 A 28 28 GLU H H 28 8.699 8.689 0.010 1
1 298 . 9 1 1 A 28 28 GLU HA H 28 4.506 4.526 -0.020 1
1 303 . 9 1 1 A 28 28 GLU C C 28 177.161 176.597 0.564 1
1 304 . 9 1 1 A 28 28 GLU CA C 28 56.451 55.553 0.898 1
1 305 . 9 1 1 A 28 28 GLU CB C 28 30.018 30.735 -0.717 1
1 307 . 9 1 1 A 28 28 GLU N N 28 122.582 120.873 1.709 1
1 308 . 9 1 1 A 29 29 CYS H H 29 8.624 8.821 -0.197 1
1 309 . 9 1 1 A 29 29 CYS HA H 29 4.812 4.935 -0.123 1
1 312 . 9 1 1 A 29 29 CYS C C 29 177.045 173.136 3.909 1
1 313 . 9 1 1 A 29 29 CYS CA C 29 55.189 56.115 -0.926 1
1 314 . 9 1 1 A 29 29 CYS CB C 29 37.938 43.120 -5.182 1
1 315 . 9 1 1 A 29 29 CYS N N 29 125.564 125.079 0.485 1
1 316 . 9 1 1 A 30 30 GLN H H 30 9.664 8.839 0.825 1
1 317 . 9 1 1 A 30 30 GLN HA H 30 3.841 4.568 -0.727 1
1 324 . 9 1 1 A 30 30 GLN C C 30 175.310 175.882 -0.572 1
1 325 . 9 1 1 A 30 30 GLN CA C 30 55.501 54.549 0.952 1
1 326 . 9 1 1 A 30 30 GLN CB C 30 29.943 30.457 -0.514 1
1 328 . 9 1 1 A 30 30 GLN N N 30 127.687 124.363 3.324 1
1 330 . 9 1 1 A 31 31 ALA H H 31 8.728 8.704 0.024 1
1 331 . 9 1 1 A 31 31 ALA HA H 31 4.052 4.489 -0.437 1
1 335 . 9 1 1 A 31 31 ALA C C 31 178.722 178.585 0.137 1
1 336 . 9 1 1 A 31 31 ALA CA C 31 52.327 52.844 -0.517 1
1 337 . 9 1 1 A 31 31 ALA CB C 31 18.034 19.645 -1.611 1
1 338 . 9 1 1 A 31 31 ALA N N 31 128.680 128.565 0.115 1
1 339 . 9 1 1 A 32 32 TRP H H 32 7.703 8.694 -0.991 1
1 340 . 9 1 1 A 32 32 TRP HA H 32 4.244 4.465 -0.221 1
1 349 . 9 1 1 A 32 32 TRP C C 32 177.566 177.525 0.041 1
1 350 . 9 1 1 A 32 32 TRP CA C 32 59.531 59.907 -0.376 1
1 351 . 9 1 1 A 32 32 TRP CB C 32 29.953 29.226 0.727 1
1 357 . 9 1 1 A 32 32 TRP N N 32 123.505 124.448 -0.943 1
1 359 . 9 1 1 A 33 33 ASP H H 33 8.797 8.498 0.299 1
1 360 . 9 1 1 A 33 33 ASP HA H 33 4.634 4.753 -0.119 1
1 363 . 9 1 1 A 33 33 ASP C C 33 175.831 175.312 0.519 1
1 364 . 9 1 1 A 33 33 ASP CA C 33 54.398 54.184 0.214 1
1 365 . 9 1 1 A 33 33 ASP CB C 33 40.707 40.039 0.668 1
1 366 . 9 1 1 A 33 33 ASP N N 33 113.424 116.849 -3.425 1
1 367 . 9 1 1 A 34 34 SER H H 34 8.039 7.994 0.045 1
1 368 . 9 1 1 A 34 34 SER HA H 34 4.737 4.788 -0.051 1
1 372 . 9 1 1 A 34 34 SER C C 34 174.096 174.665 -0.569 1
1 373 . 9 1 1 A 34 34 SER CA C 34 56.454 56.310 0.144 1
1 374 . 9 1 1 A 34 34 SER CB C 34 65.137 64.627 0.510 1
1 375 . 9 1 1 A 34 34 SER N N 34 114.429 115.167 -0.738 1
1 376 . 9 1 1 A 35 35 GLN H H 35 8.387 8.541 -0.154 1
1 377 . 9 1 1 A 35 35 GLN HA H 35 4.426 4.537 -0.111 1
1 384 . 9 1 1 A 35 35 GLN C C 35 173.518 175.285 -1.767 1
1 385 . 9 1 1 A 35 35 GLN CA C 35 54.020 56.304 -2.284 1
1 386 . 9 1 1 A 35 35 GLN CB C 35 28.804 29.086 -0.282 1
1 388 . 9 1 1 A 35 35 GLN N N 35 123.700 125.531 -1.831 1
1 390 . 9 1 1 A 36 36 SER H H 36 7.746 7.077 0.669 1
1 391 . 9 1 1 A 36 36 SER HA H 36 4.466 4.855 -0.389 1
1 395 . 9 1 1 A 36 36 SER C C 36 172.824 173.682 -0.858 1
1 396 . 9 1 1 A 36 36 SER CA C 36 54.749 54.973 -0.224 1
1 397 . 9 1 1 A 36 36 SER CB C 36 65.162 65.179 -0.017 1
1 398 . 9 1 1 A 36 36 SER N N 36 112.974 111.514 1.460 1
1 399 . 9 1 1 A 37 37 PRO HA H 37 4.382 4.479 -0.097 1
1 406 . 9 1 1 A 37 37 PRO C C 37 176.351 176.162 0.189 1
1 407 . 9 1 1 A 37 37 PRO CA C 37 64.110 64.229 -0.119 1
1 408 . 9 1 1 A 37 37 PRO CB C 37 33.670 32.017 1.653 1
1 411 . 9 1 1 A 38 38 HIS H H 38 8.764 7.703 1.061 1
1 412 . 9 1 1 A 38 38 HIS HA H 38 4.897 4.676 0.221 1
1 417 . 9 1 1 A 38 38 HIS C C 38 178.144 174.685 3.459 1
1 418 . 9 1 1 A 38 38 HIS CA C 38 55.580 55.652 -0.072 1
1 419 . 9 1 1 A 38 38 HIS CB C 38 30.421 30.447 -0.026 1
1 422 . 9 1 1 A 38 38 HIS N N 38 122.516 117.273 5.243 1
1 423 . 9 1 1 A 39 39 ALA H H 39 8.673 8.527 0.146 1
1 424 . 9 1 1 A 39 39 ALA HA H 39 4.493 4.489 0.004 1
1 428 . 9 1 1 A 39 39 ALA C C 39 178.375 177.183 1.192 1
1 429 . 9 1 1 A 39 39 ALA CA C 39 51.440 52.436 -0.996 1
1 430 . 9 1 1 A 39 39 ALA CB C 39 18.980 19.375 -0.395 1
1 431 . 9 1 1 A 39 39 ALA N N 39 128.546 128.056 0.490 1
1 432 . 9 1 1 A 40 40 HIS H H 40 9.291 9.164 0.127 1
1 433 . 9 1 1 A 40 40 HIS HA H 40 4.734 5.287 -0.553 1
1 439 . 9 1 1 A 40 40 HIS C C 40 175.484 175.056 0.428 1
1 440 . 9 1 1 A 40 40 HIS CA C 40 56.141 53.782 2.359 1
1 441 . 9 1 1 A 40 40 HIS CB C 40 35.545 31.908 3.637 1
1 444 . 9 1 1 A 40 40 HIS N N 40 120.682 116.356 4.326 1
1 445 . 9 1 1 A 41 41 GLY H H 41 9.080 9.050 0.030 1
1 446 . 9 1 1 A 41 41 GLY HA2 H 41 4.602 3.732 0.870 1
1 447 . 9 1 1 A 41 41 GLY HA3 H 41 3.671 3.750 -0.079 1
1 448 . 9 1 1 A 41 41 GLY C C 41 176.409 173.714 2.695 1
1 449 . 9 1 1 A 41 41 GLY CA C 41 44.724 45.954 -1.230 1
1 450 . 9 1 1 A 41 41 GLY N N 41 106.159 108.120 -1.961 1
1 451 . 9 1 1 A 42 42 TYR H H 42 11.980 8.066 3.914 1
1 452 . 9 1 1 A 42 42 TYR HA H 42 4.616 5.250 -0.634 1
1 459 . 9 1 1 A 42 42 TYR C C 42 174.385 175.292 -0.907 1
1 460 . 9 1 1 A 42 42 TYR CA C 42 57.579 56.958 0.621 1
1 461 . 9 1 1 A 42 42 TYR CB C 42 36.198 36.859 -0.661 1
1 466 . 9 1 1 A 42 42 TYR N N 42 133.554 119.270 14.284 1
1 467 . 9 1 1 A 43 43 ILE H H 43 7.120 8.166 -1.046 1
1 468 . 9 1 1 A 43 43 ILE HA H 43 4.630 4.443 0.187 1
1 478 . 9 1 1 A 43 43 ILE C C 43 177.219 176.142 1.077 1
1 479 . 9 1 1 A 43 43 ILE CA C 43 58.201 59.205 -1.004 1
1 480 . 9 1 1 A 43 43 ILE CB C 43 38.761 37.977 0.784 1
1 484 . 9 1 1 A 43 43 ILE N N 43 118.881 125.056 -6.175 1
1 485 . 9 1 1 A 44 44 PRO HA H 44 4.193 4.613 -0.420 1
1 492 . 9 1 1 A 44 44 PRO C C 44 178.780 177.571 1.209 1
1 493 . 9 1 1 A 44 44 PRO CA C 44 67.061 64.197 2.864 1
1 494 . 9 1 1 A 44 44 PRO CB C 44 32.267 31.886 0.381 1
1 497 . 9 1 1 A 45 45 SER H H 45 7.984 8.479 -0.495 1
1 498 . 9 1 1 A 45 45 SER HA H 45 4.087 4.420 -0.333 1
1 502 . 9 1 1 A 45 45 SER C C 45 176.004 175.272 0.732 1
1 503 . 9 1 1 A 45 45 SER CA C 45 60.161 59.978 0.183 1
1 504 . 9 1 1 A 45 45 SER CB C 45 62.260 63.507 -1.247 1
1 505 . 9 1 1 A 45 45 SER N N 45 107.865 113.912 -6.047 1
1 506 . 9 1 1 A 46 46 LYS H H 46 7.769 7.684 0.085 1
1 507 . 9 1 1 A 46 46 LYS HA H 46 3.965 4.239 -0.274 1
1 516 . 9 1 1 A 46 46 LYS C C 46 175.831 176.420 -0.589 1
1 517 . 9 1 1 A 46 46 LYS CA C 46 57.349 57.023 0.326 1
1 518 . 9 1 1 A 46 46 LYS CB C 46 33.283 33.523 -0.240 1
1 522 . 9 1 1 A 46 46 LYS N N 46 121.944 116.277 5.667 1
1 523 . 9 1 1 A 47 47 PHE H H 47 7.018 7.643 -0.625 1
1 524 . 9 1 1 A 47 47 PHE HA H 47 5.244 5.115 0.129 1
1 532 . 9 1 1 A 47 47 PHE C C 47 174.790 174.616 0.174 1
1 533 . 9 1 1 A 47 47 PHE CA C 47 54.142 54.866 -0.724 1
1 534 . 9 1 1 A 47 47 PHE CB C 47 39.434 38.986 0.448 1
1 539 . 9 1 1 A 47 47 PHE N N 47 115.480 118.656 -3.176 1
1 540 . 9 1 1 A 48 48 PRO HA H 48 4.472 4.474 -0.002 1
1 547 . 9 1 1 A 48 48 PRO C C 48 177.681 178.065 -0.384 1
1 548 . 9 1 1 A 48 48 PRO CA C 48 65.513 64.882 0.631 1
1 549 . 9 1 1 A 48 48 PRO CB C 48 31.712 31.669 0.043 1
1 552 . 9 1 1 A 49 49 ASN H H 49 8.559 8.969 -0.410 1
1 553 . 9 1 1 A 49 49 ASN HA H 49 4.818 4.588 0.230 1
1 558 . 9 1 1 A 49 49 ASN C C 49 175.715 175.789 -0.074 1
1 559 . 9 1 1 A 49 49 ASN CA C 49 53.372 54.185 -0.813 1
1 560 . 9 1 1 A 49 49 ASN CB C 49 37.351 37.038 0.313 1
1 561 . 9 1 1 A 49 49 ASN N N 49 114.836 115.194 -0.358 1
1 563 . 9 1 1 A 50 50 LYS H H 50 7.627 7.609 0.018 1
1 564 . 9 1 1 A 50 50 LYS HA H 50 4.480 4.329 0.151 1
1 573 . 9 1 1 A 50 50 LYS C C 50 175.079 175.613 -0.534 1
1 574 . 9 1 1 A 50 50 LYS CA C 50 53.336 55.649 -2.313 1
1 575 . 9 1 1 A 50 50 LYS CB C 50 31.284 32.183 -0.899 1
1 579 . 9 1 1 A 50 50 LYS N N 50 116.224 118.637 -2.413 1
1 580 . 9 1 1 A 51 51 ASN H H 51 7.945 7.997 -0.052 1
1 581 . 9 1 1 A 51 51 ASN HA H 51 4.304 4.333 -0.029 1
1 586 . 9 1 1 A 51 51 ASN C C 51 175.195 175.431 -0.236 1
1 587 . 9 1 1 A 51 51 ASN CA C 51 54.089 54.137 -0.048 1
1 588 . 9 1 1 A 51 51 ASN CB C 51 36.504 37.297 -0.793 1
1 589 . 9 1 1 A 51 51 ASN N N 51 115.331 116.645 -1.314 1
1 591 . 9 1 1 A 52 52 LEU H H 52 8.803 7.821 0.982 1
1 592 . 9 1 1 A 52 52 LEU HA H 52 3.412 4.032 -0.620 1
1 602 . 9 1 1 A 52 52 LEU C C 52 174.674 174.901 -0.227 1
1 603 . 9 1 1 A 52 52 LEU CA C 52 53.983 54.056 -0.073 1
1 604 . 9 1 1 A 52 52 LEU CB C 52 42.471 40.596 1.875 1
1 608 . 9 1 1 A 52 52 LEU N N 52 121.765 120.946 0.819 1
1 609 . 9 1 1 A 53 53 LYS H H 53 7.099 8.396 -1.297 1
1 610 . 9 1 1 A 53 53 LYS HA H 53 4.324 4.830 -0.506 1
1 619 . 9 1 1 A 53 53 LYS C C 53 173.460 176.424 -2.964 1
1 620 . 9 1 1 A 53 53 LYS CA C 53 54.843 54.522 0.321 1
1 621 . 9 1 1 A 53 53 LYS CB C 53 36.395 35.779 0.616 1
1 625 . 9 1 1 A 53 53 LYS N N 53 124.403 124.223 0.180 1
1 626 . 9 1 1 A 54 54 LYS H H 54 8.805 8.927 -0.122 1
1 627 . 9 1 1 A 54 54 LYS HA H 54 3.692 3.810 -0.118 1
1 636 . 9 1 1 A 54 54 LYS C C 54 173.344 175.939 -2.595 1
1 637 . 9 1 1 A 54 54 LYS CA C 54 56.366 57.749 -1.383 1
1 638 . 9 1 1 A 54 54 LYS CB C 54 29.830 30.153 -0.323 1
1 642 . 9 1 1 A 54 54 LYS N N 54 118.125 117.876 0.249 1
1 643 . 9 1 1 A 55 55 ASN H H 55 7.567 8.379 -0.812 1
1 644 . 9 1 1 A 55 55 ASN HA H 55 4.643 4.683 -0.040 1
1 649 . 9 1 1 A 55 55 ASN C C 55 172.188 175.242 -3.054 1
1 650 . 9 1 1 A 55 55 ASN CA C 55 51.091 51.629 -0.538 1
1 651 . 9 1 1 A 55 55 ASN CB C 55 37.234 37.498 -0.264 1
1 652 . 9 1 1 A 55 55 ASN N N 55 123.893 121.780 2.113 1
1 654 . 9 1 1 A 56 56 TYR H H 56 7.584 7.432 0.152 1
1 655 . 9 1 1 A 56 56 TYR HA H 56 4.892 5.251 -0.359 1
1 662 . 9 1 1 A 56 56 TYR C C 56 177.276 176.160 1.116 1
1 663 . 9 1 1 A 56 56 TYR CA C 56 54.447 58.333 -3.886 1
1 664 . 9 1 1 A 56 56 TYR CB C 56 38.633 39.584 -0.951 1
1 669 . 9 1 1 A 56 56 TYR N N 56 115.237 119.932 -4.695 1
1 670 . 9 1 1 A 57 57 CYS H H 57 9.149 8.792 0.357 1
1 671 . 9 1 1 A 57 57 CYS HA H 57 4.398 4.964 -0.566 1
1 674 . 9 1 1 A 57 57 CYS C C 57 175.600 174.488 1.112 1
1 675 . 9 1 1 A 57 57 CYS CA C 57 59.824 56.352 3.472 1
1 676 . 9 1 1 A 57 57 CYS CB C 57 48.356 42.368 5.988 1
1 677 . 9 1 1 A 57 57 CYS N N 57 119.273 121.708 -2.435 1
1 678 . 9 1 1 A 58 58 ARG H H 58 9.138 8.581 0.557 1
1 679 . 9 1 1 A 58 58 ARG HA H 58 4.918 5.117 -0.199 1
1 687 . 9 1 1 A 58 58 ARG C C 58 173.576 174.378 -0.802 1
1 688 . 9 1 1 A 58 58 ARG CA C 58 53.187 54.272 -1.085 1
1 689 . 9 1 1 A 58 58 ARG CB C 58 29.412 34.103 -4.691 1
1 692 . 9 1 1 A 58 58 ARG N N 58 122.881 124.953 -2.072 1
1 694 . 9 1 1 A 59 59 ASN H H 59 8.868 8.612 0.256 1
1 695 . 9 1 1 A 59 59 ASN HA H 59 5.513 4.996 0.517 1
1 700 . 9 1 1 A 59 59 ASN C C 59 172.824 174.246 -1.422 1
1 701 . 9 1 1 A 59 59 ASN CA C 59 53.176 49.848 3.328 1
1 702 . 9 1 1 A 59 59 ASN CB C 59 37.237 39.597 -2.360 1
1 703 . 9 1 1 A 59 59 ASN N N 59 113.603 119.959 -6.356 1
1 705 . 9 1 1 A 60 60 PRO HA H 60 4.712 4.288 0.424 1
1 712 . 9 1 1 A 60 60 PRO C C 60 175.715 177.649 -1.934 1
1 713 . 9 1 1 A 60 60 PRO CA C 60 63.643 64.151 -0.508 1
1 714 . 9 1 1 A 60 60 PRO CB C 60 32.507 31.568 0.939 1
1 717 . 9 1 1 A 61 61 ASP H H 61 8.883 7.857 1.026 1
1 718 . 9 1 1 A 61 61 ASP HA H 61 4.495 4.542 -0.047 1
1 721 . 9 1 1 A 61 61 ASP C C 61 174.848 175.187 -0.339 1
1 722 . 9 1 1 A 61 61 ASP CA C 61 51.953 53.117 -1.164 1
1 723 . 9 1 1 A 61 61 ASP CB C 61 42.092 40.169 1.923 1
1 724 . 9 1 1 A 61 61 ASP N N 61 118.660 116.117 2.543 1
1 725 . 9 1 1 A 62 62 ARG H H 62 8.395 7.805 0.590 1
1 726 . 9 1 1 A 62 62 ARG HA H 62 3.789 4.240 -0.451 1
1 734 . 9 1 1 A 62 62 ARG C C 62 176.236 174.547 1.689 1
1 735 . 9 1 1 A 62 62 ARG CA C 62 57.318 56.992 0.326 1
1 736 . 9 1 1 A 62 62 ARG CB C 62 26.990 27.578 -0.588 1
1 739 . 9 1 1 A 62 62 ARG N N 62 116.013 115.095 0.918 1
1 741 . 9 1 1 A 63 63 ASP H H 63 9.735 7.706 2.029 1
1 742 . 9 1 1 A 63 63 ASP HA H 63 4.769 4.728 0.041 1
1 745 . 9 1 1 A 63 63 ASP C C 63 177.334 176.527 0.807 1
1 746 . 9 1 1 A 63 63 ASP CA C 63 51.973 52.980 -1.007 1
1 747 . 9 1 1 A 63 63 ASP CB C 63 42.698 42.737 -0.039 1
1 748 . 9 1 1 A 63 63 ASP N N 63 121.799 118.050 3.749 1
1 749 . 9 1 1 A 64 64 LEU H H 64 10.919 8.729 2.190 1
1 750 . 9 1 1 A 64 64 LEU HA H 64 3.995 4.292 -0.297 1
1 760 . 9 1 1 A 64 64 LEU C C 64 176.467 176.882 -0.415 1
1 761 . 9 1 1 A 64 64 LEU CA C 64 57.772 56.130 1.642 1
1 762 . 9 1 1 A 64 64 LEU CB C 64 43.630 43.114 0.516 1
1 766 . 9 1 1 A 64 64 LEU N N 64 121.789 121.921 -0.132 1
1 767 . 9 1 1 A 65 65 ARG H H 65 7.633 7.748 -0.115 1
1 768 . 9 1 1 A 65 65 ARG HA H 65 5.006 4.929 0.077 1
1 776 . 9 1 1 A 65 65 ARG C C 65 172.130 174.128 -1.998 1
1 777 . 9 1 1 A 65 65 ARG CA C 65 53.368 53.514 -0.146 1
1 778 . 9 1 1 A 65 65 ARG CB C 65 28.429 33.803 -5.374 1
1 781 . 9 1 1 A 65 65 ARG N N 65 108.790 118.519 -9.729 1
1 783 . 9 1 1 A 66 66 PRO HA H 66 4.281 4.675 -0.394 1
1 790 . 9 1 1 A 66 66 PRO C C 66 172.940 176.352 -3.412 1
1 791 . 9 1 1 A 66 66 PRO CA C 66 63.677 63.157 0.520 1
1 792 . 9 1 1 A 66 66 PRO CB C 66 32.592 33.005 -0.413 1
1 795 . 9 1 1 A 67 67 TRP H H 67 8.716 8.665 0.051 1
1 796 . 9 1 1 A 67 67 TRP HA H 67 5.406 5.340 0.066 1
1 805 . 9 1 1 A 67 67 TRP C C 67 172.919 173.892 -0.973 1
1 806 . 9 1 1 A 67 67 TRP CA C 67 56.035 55.339 0.696 1
1 807 . 9 1 1 A 67 67 TRP CB C 67 34.026 31.950 2.076 1
1 813 . 9 1 1 A 67 67 TRP N N 67 121.250 118.214 3.036 1
1 815 . 9 1 1 A 68 68 CYS H H 68 8.384 9.153 -0.769 1
1 816 . 9 1 1 A 68 68 CYS HA H 68 4.265 4.825 -0.560 1
1 819 . 9 1 1 A 68 68 CYS C C 68 175.079 173.024 2.055 1
1 820 . 9 1 1 A 68 68 CYS CA C 68 55.876 55.413 0.463 1
1 821 . 9 1 1 A 68 68 CYS CB C 68 42.232 45.879 -3.647 1
1 822 . 9 1 1 A 68 68 CYS N N 68 109.624 117.401 -7.777 1
1 823 . 9 1 1 A 69 69 PHE H H 69 8.031 8.333 -0.302 1
1 824 . 9 1 1 A 69 69 PHE HA H 69 5.420 4.935 0.485 1
1 832 . 9 1 1 A 69 69 PHE C C 69 176.814 175.821 0.993 1
1 833 . 9 1 1 A 69 69 PHE CA C 69 59.299 57.797 1.502 1
1 834 . 9 1 1 A 69 69 PHE CB C 69 38.411 39.641 -1.230 1
1 840 . 9 1 1 A 69 69 PHE N N 69 120.433 121.440 -1.007 1
1 841 . 9 1 1 A 70 70 THR H H 70 8.002 8.537 -0.535 1
1 842 . 9 1 1 A 70 70 THR HA H 70 5.408 4.859 0.549 1
1 848 . 9 1 1 A 70 70 THR C C 70 173.518 174.713 -1.195 1
1 849 . 9 1 1 A 70 70 THR CA C 70 61.208 60.508 0.700 1
1 850 . 9 1 1 A 70 70 THR CB C 70 70.441 70.459 -0.018 1
1 852 . 9 1 1 A 70 70 THR N N 70 112.351 114.720 -2.369 1
1 853 . 9 1 1 A 71 71 THR H H 71 8.126 8.485 -0.359 1
1 854 . 9 1 1 A 71 71 THR HA H 71 4.037 4.541 -0.504 1
1 860 . 9 1 1 A 71 71 THR C C 71 174.903 173.759 1.144 1
1 861 . 9 1 1 A 71 71 THR CA C 71 62.413 63.228 -0.815 1
1 862 . 9 1 1 A 71 71 THR CB C 71 69.167 69.305 -0.138 1
1 864 . 9 1 1 A 71 71 THR N N 71 104.863 116.223 -11.360 1
1 865 . 9 1 1 A 72 72 ASP H H 72 9.024 7.865 1.159 1
1 866 . 9 1 1 A 72 72 ASP HA H 72 4.936 4.973 -0.037 1
1 869 . 9 1 1 A 72 72 ASP C C 72 176.929 175.683 1.246 1
1 870 . 9 1 1 A 72 72 ASP CA C 72 51.333 51.772 -0.439 1
1 871 . 9 1 1 A 72 72 ASP CB C 72 43.416 42.222 1.194 1
1 872 . 9 1 1 A 72 72 ASP N N 72 126.242 122.278 3.964 1
1 873 . 9 1 1 A 73 73 PRO HA H 73 3.962 4.319 -0.357 1
1 880 . 9 1 1 A 73 73 PRO C C 73 177.045 177.934 -0.889 1
1 881 . 9 1 1 A 73 73 PRO CA C 73 64.632 64.448 0.184 1
1 882 . 9 1 1 A 73 73 PRO CB C 73 32.460 31.924 0.536 1
1 885 . 9 1 1 A 74 74 ASN H H 74 8.943 8.527 0.416 1
1 886 . 9 1 1 A 74 74 ASN HA H 74 4.854 4.659 0.195 1
1 891 . 9 1 1 A 74 74 ASN C C 74 174.443 175.215 -0.772 1
1 892 . 9 1 1 A 74 74 ASN CA C 74 53.380 55.142 -1.762 1
1 893 . 9 1 1 A 74 74 ASN CB C 74 39.333 39.461 -0.128 1
1 894 . 9 1 1 A 74 74 ASN N N 74 114.144 114.960 -0.816 1
1 896 . 9 1 1 A 75 75 LYS H H 75 7.795 7.285 0.510 1
1 897 . 9 1 1 A 75 75 LYS HA H 75 4.571 4.533 0.038 1
1 906 . 9 1 1 A 75 75 LYS C C 75 173.402 176.257 -2.855 1
1 907 . 9 1 1 A 75 75 LYS CA C 75 54.154 55.002 -0.848 1
1 908 . 9 1 1 A 75 75 LYS CB C 75 32.186 33.897 -1.711 1
1 912 . 9 1 1 A 75 75 LYS N N 75 122.835 119.053 3.782 1
1 913 . 9 1 1 A 76 76 ARG H H 76 9.132 8.876 0.256 1
1 914 . 9 1 1 A 76 76 ARG HA H 76 4.555 3.763 0.792 1
1 922 . 9 1 1 A 76 76 ARG C C 76 175.137 175.980 -0.843 1
1 923 . 9 1 1 A 76 76 ARG CA C 76 60.532 57.708 2.824 1
1 924 . 9 1 1 A 76 76 ARG CB C 76 29.307 31.354 -2.047 1
1 927 . 9 1 1 A 76 76 ARG N N 76 129.676 127.320 2.356 1
1 929 . 9 1 1 A 77 77 TRP H H 77 7.559 7.543 0.016 1
1 930 . 9 1 1 A 77 77 TRP HA H 77 5.357 5.196 0.161 1
1 939 . 9 1 1 A 77 77 TRP C C 77 172.940 173.848 -0.908 1
1 940 . 9 1 1 A 77 77 TRP CA C 77 55.044 55.425 -0.381 1
1 941 . 9 1 1 A 77 77 TRP CB C 77 31.951 32.845 -0.894 1
1 947 . 9 1 1 A 77 77 TRP N N 77 109.174 114.216 -5.042 1
1 949 . 9 1 1 A 78 78 GLU H H 78 8.638 9.048 -0.410 1
1 950 . 9 1 1 A 78 78 GLU HA H 78 3.671 4.493 -0.822 1
1 955 . 9 1 1 A 78 78 GLU C C 78 174.501 174.873 -0.372 1
1 956 . 9 1 1 A 78 78 GLU CA C 78 55.659 55.268 0.391 1
1 957 . 9 1 1 A 78 78 GLU CB C 78 34.557 34.039 0.518 1
1 959 . 9 1 1 A 78 78 GLU N N 78 118.907 119.853 -0.946 1
1 960 . 9 1 1 A 79 79 TYR H H 79 7.636 8.738 -1.102 1
1 961 . 9 1 1 A 79 79 TYR HA H 79 4.995 4.961 0.034 1
1 968 . 9 1 1 A 79 79 TYR C C 79 175.889 175.721 0.168 1
1 969 . 9 1 1 A 79 79 TYR CA C 79 60.120 58.852 1.268 1
1 970 . 9 1 1 A 79 79 TYR CB C 79 39.789 38.774 1.015 1
1 975 . 9 1 1 A 79 79 TYR N N 79 119.277 122.376 -3.099 1
1 976 . 9 1 1 A 80 80 CYS H H 80 9.398 8.882 0.516 1
1 977 . 9 1 1 A 80 80 CYS HA H 80 4.720 5.379 -0.659 1
1 980 . 9 1 1 A 80 80 CYS C C 80 172.419 171.942 0.477 1
1 981 . 9 1 1 A 80 80 CYS CA C 80 54.618 54.696 -0.078 1
1 982 . 9 1 1 A 80 80 CYS CB C 80 46.736 45.678 1.058 1
1 983 . 9 1 1 A 80 80 CYS N N 80 118.623 121.091 -2.468 1
1 984 . 9 1 1 A 81 81 ASP H H 81 9.729 8.947 0.782 1
1 985 . 9 1 1 A 81 81 ASP HA H 81 4.781 4.849 -0.068 1
1 988 . 9 1 1 A 81 81 ASP C C 81 173.576 174.848 -1.272 1
1 989 . 9 1 1 A 81 81 ASP CA C 81 52.855 53.173 -0.318 1
1 990 . 9 1 1 A 81 81 ASP CB C 81 40.733 40.813 -0.080 1
1 991 . 9 1 1 A 81 81 ASP N N 81 124.777 126.455 -1.678 1
1 992 . 9 1 1 A 82 82 ILE H H 82 7.820 7.925 -0.105 1
1 993 . 9 1 1 A 82 82 ILE HA H 82 4.320 4.524 -0.204 1
1 1003 . 9 1 1 A 82 82 ILE C C 82 173.923 173.756 0.167 1
1 1004 . 9 1 1 A 82 82 ILE CA C 82 56.118 57.249 -1.131 1
1 1005 . 9 1 1 A 82 82 ILE CB C 82 38.166 40.513 -2.347 1
1 1009 . 9 1 1 A 82 82 ILE N N 82 125.281 125.800 -0.519 1
1 1010 . 9 1 1 A 83 83 PRO HA H 83 4.337 4.416 -0.079 1
1 1017 . 9 1 1 A 83 83 PRO C C 83 175.167 176.047 -0.880 1
1 1018 . 9 1 1 A 83 83 PRO CA C 83 62.844 63.428 -0.584 1
1 1019 . 9 1 1 A 83 83 PRO CB C 83 32.450 32.116 0.334 1
1 1022 . 9 1 1 A 84 84 ARG H H 84 8.656 8.479 0.177 1
1 1023 . 9 1 1 A 84 84 ARG HA H 84 4.658 4.808 -0.150 1
1 1031 . 9 1 1 A 84 84 ARG C C 84 175.137 175.291 -0.154 1
1 1032 . 9 1 1 A 84 84 ARG CA C 84 55.617 54.705 0.912 1
1 1033 . 9 1 1 A 84 84 ARG CB C 84 30.482 32.266 -1.784 1
1 1036 . 9 1 1 A 84 84 ARG N N 84 122.316 122.407 -0.091 1
1 1038 . 9 1 1 A 85 85 CYS H H 85 8.783 9.119 -0.336 1
1 1039 . 9 1 1 A 85 85 CYS HA H 85 4.479 5.237 -0.758 1
1 1042 . 9 1 1 A 85 85 CYS C C 85 174.906 173.829 1.077 1
1 1043 . 9 1 1 A 85 85 CYS CA C 85 54.177 54.958 -0.781 1
1 1044 . 9 1 1 A 85 85 CYS CB C 85 39.574 45.210 -5.636 1
1 1045 . 9 1 1 A 85 85 CYS N N 85 124.002 121.342 2.660 1
1 1046 . 9 1 1 A 86 86 ALA H H 86 8.746 8.721 0.025 1
1 1047 . 9 1 1 A 86 86 ALA HA H 86 4.255 4.243 0.012 1
1 1051 . 9 1 1 A 86 86 ALA C C 86 176.236 177.328 -1.092 1
1 1052 . 9 1 1 A 86 86 ALA CA C 86 53.067 53.590 -0.523 1
1 1053 . 9 1 1 A 86 86 ALA CB C 86 19.034 19.458 -0.424 1
1 1054 . 9 1 1 A 86 86 ALA N N 86 126.444 126.736 -0.292 1
1 1064 . 9 2 2 B 2 2 SER HA H 100 4.570 4.832 -0.262 1
1 1067 . 9 2 2 B 2 2 SER C C 100 174.779 174.108 0.671 1
1 1068 . 9 2 2 B 2 2 SER CA C 100 58.624 57.688 0.936 1
1 1069 . 9 2 2 B 2 2 SER CB C 100 63.939 62.526 1.413 1
1 1070 . 9 2 2 B 3 3 VAL H H 101 8.341 8.336 0.005 1
1 1071 . 9 2 2 B 3 3 VAL HA H 101 4.151 4.253 -0.102 1
1 1079 . 9 2 2 B 3 3 VAL C C 101 176.450 176.548 -0.098 1
1 1080 . 9 2 2 B 3 3 VAL CA C 101 62.793 62.609 0.184 1
1 1081 . 9 2 2 B 3 3 VAL CB C 101 32.495 32.085 0.410 1
1 1084 . 9 2 2 B 3 3 VAL N N 101 121.954 124.417 -2.463 1
1 1085 . 9 2 2 B 4 4 GLU H H 102 8.521 8.146 0.375 1
1 1086 . 9 2 2 B 4 4 GLU HA H 102 4.291 4.622 -0.331 1
1 1091 . 9 2 2 B 4 4 GLU C C 102 176.450 178.717 -2.267 1
1 1092 . 9 2 2 B 4 4 GLU CA C 102 56.955 57.871 -0.916 1
1 1093 . 9 2 2 B 4 4 GLU CB C 102 30.233 31.495 -1.262 1
1 1095 . 9 2 2 B 4 4 GLU N N 102 124.722 122.870 1.852 1
1 1096 . 9 2 2 B 5 5 LYS H H 103 8.323 8.527 -0.204 1
1 1097 . 9 2 2 B 5 5 LYS HA H 103 4.313 4.192 0.121 1
1 1106 . 9 2 2 B 5 5 LYS C C 103 176.784 177.130 -0.346 1
1 1107 . 9 2 2 B 5 5 LYS CA C 103 56.688 58.112 -1.424 1
1 1108 . 9 2 2 B 5 5 LYS CB C 103 30.228 32.490 -2.262 1
1 1112 . 9 2 2 B 5 5 LYS N N 103 122.689 120.314 2.375 1
1 1113 . 9 2 2 B 6 6 LEU H H 104 8.369 7.623 0.746 1
1 1114 . 9 2 2 B 6 6 LEU HA H 104 4.500 4.423 0.077 1
1 1124 . 9 2 2 B 6 6 LEU C C 104 177.632 174.998 2.634 1
1 1125 . 9 2 2 B 6 6 LEU CA C 104 55.480 54.368 1.112 1
1 1126 . 9 2 2 B 6 6 LEU CB C 104 42.587 39.674 2.913 1
1 1130 . 9 2 2 B 6 6 LEU N N 104 123.373 118.916 4.457 1
1 1131 . 9 2 2 B 7 7 THR HA H 105 4.558 4.684 -0.126 1
1 1137 . 9 2 2 B 7 7 THR C C 105 175.614 174.824 0.790 1
1 1138 . 9 2 2 B 7 7 THR CA C 105 62.000 59.707 2.293 1
1 1139 . 9 2 2 B 7 7 THR CB C 105 70.090 72.307 -2.217 1
1 1141 . 9 2 2 B 8 8 ALA H H 106 8.649 8.937 -0.288 1
1 1142 . 9 2 2 B 8 8 ALA HA H 106 4.458 4.038 0.420 1
1 1146 . 9 2 2 B 8 8 ALA C C 106 179.290 179.097 0.193 1
1 1147 . 9 2 2 B 8 8 ALA CA C 106 55.552 55.170 0.382 1
1 1148 . 9 2 2 B 8 8 ALA CB C 106 18.704 17.961 0.743 1
1 1149 . 9 2 2 B 8 8 ALA N N 106 124.857 124.754 0.103 1
1 1150 . 9 2 2 B 9 9 ASP H H 107 8.286 8.396 -0.110 1
1 1151 . 9 2 2 B 9 9 ASP HA H 107 4.457 4.339 0.118 1
1 1154 . 9 2 2 B 9 9 ASP C C 107 178.845 178.090 0.755 1
1 1155 . 9 2 2 B 9 9 ASP CA C 107 57.733 56.988 0.745 1
1 1156 . 9 2 2 B 9 9 ASP CB C 107 40.881 41.027 -0.146 1
1 1157 . 9 2 2 B 9 9 ASP N N 107 115.621 118.868 -3.247 1
1 1158 . 9 2 2 B 10 10 ALA H H 108 7.887 8.100 -0.213 1
1 1159 . 9 2 2 B 10 10 ALA HA H 108 4.182 4.108 0.074 1
1 1163 . 9 2 2 B 10 10 ALA C C 108 180.906 179.432 1.474 1
1 1164 . 9 2 2 B 10 10 ALA CA C 108 55.014 55.002 0.012 1
1 1165 . 9 2 2 B 10 10 ALA CB C 108 18.631 18.081 0.550 1
1 1166 . 9 2 2 B 10 10 ALA N N 108 122.756 121.913 0.843 1
1 1167 . 9 2 2 B 11 11 GLU H H 109 8.390 7.804 0.586 1
1 1168 . 9 2 2 B 11 11 GLU HA H 109 4.256 4.088 0.168 1
1 1173 . 9 2 2 B 11 11 GLU C C 109 178.678 179.019 -0.341 1
1 1174 . 9 2 2 B 11 11 GLU CA C 109 59.105 59.159 -0.054 1
1 1175 . 9 2 2 B 11 11 GLU CB C 109 29.559 29.461 0.098 1
1 1177 . 9 2 2 B 11 11 GLU N N 109 121.999 119.062 2.937 1
1 1178 . 9 2 2 B 12 12 LEU H H 110 8.395 8.132 0.263 1
1 1179 . 9 2 2 B 12 12 LEU HA H 110 3.808 3.915 -0.107 1
1 1189 . 9 2 2 B 12 12 LEU C C 110 178.288 178.690 -0.402 1
1 1190 . 9 2 2 B 12 12 LEU CA C 110 58.407 58.074 0.333 1
1 1191 . 9 2 2 B 12 12 LEU CB C 110 41.329 41.160 0.169 1
1 1195 . 9 2 2 B 12 12 LEU N N 110 119.939 120.405 -0.466 1
1 1196 . 9 2 2 B 13 13 GLN H H 111 7.761 8.457 -0.696 1
1 1197 . 9 2 2 B 13 13 GLN HA H 111 4.008 3.956 0.052 1
1 1202 . 9 2 2 B 13 13 GLN C C 111 177.954 178.764 -0.810 1
1 1203 . 9 2 2 B 13 13 GLN CA C 111 58.674 59.426 -0.752 1
1 1204 . 9 2 2 B 13 13 GLN CB C 111 28.513 28.183 0.330 1
1 1206 . 9 2 2 B 13 13 GLN N N 111 117.305 118.870 -1.565 1
1 1207 . 9 2 2 B 14 14 ARG H H 112 7.752 8.021 -0.269 1
1 1208 . 9 2 2 B 14 14 ARG HA H 112 4.053 4.080 -0.027 1
1 1216 . 9 2 2 B 14 14 ARG C C 112 179.625 179.038 0.587 1
1 1217 . 9 2 2 B 14 14 ARG CA C 112 59.770 59.054 0.716 1
1 1218 . 9 2 2 B 14 14 ARG CB C 112 29.884 29.921 -0.037 1
1 1221 . 9 2 2 B 14 14 ARG N N 112 121.241 119.734 1.507 1
1 1223 . 9 2 2 B 15 15 LEU H H 113 8.478 8.710 -0.232 1
1 1224 . 9 2 2 B 15 15 LEU HA H 113 3.974 4.022 -0.048 1
1 1234 . 9 2 2 B 15 15 LEU C C 113 180.627 179.258 1.369 1
1 1235 . 9 2 2 B 15 15 LEU CA C 113 58.251 57.779 0.472 1
1 1236 . 9 2 2 B 15 15 LEU CB C 113 41.751 41.232 0.519 1
1 1240 . 9 2 2 B 15 15 LEU N N 113 120.898 119.694 1.204 1
1 1241 . 9 2 2 B 16 16 LYS H H 114 8.437 8.142 0.295 1
1 1242 . 9 2 2 B 16 16 LYS HA H 114 3.368 4.034 -0.666 1
1 1251 . 9 2 2 B 16 16 LYS C C 114 178.288 178.870 -0.582 1
1 1252 . 9 2 2 B 16 16 LYS CA C 114 60.242 59.867 0.375 1
1 1253 . 9 2 2 B 16 16 LYS CB C 114 30.249 32.113 -1.864 1
1 1257 . 9 2 2 B 16 16 LYS N N 114 123.214 121.167 2.047 1
1 1258 . 9 2 2 B 17 17 ASN H H 115 8.137 8.306 -0.169 1
1 1259 . 9 2 2 B 17 17 ASN HA H 115 4.270 4.418 -0.148 1
1 1264 . 9 2 2 B 17 17 ASN C C 115 178.288 177.929 0.359 1
1 1265 . 9 2 2 B 17 17 ASN CA C 115 56.318 56.511 -0.193 1
1 1266 . 9 2 2 B 17 17 ASN CB C 115 37.573 37.700 -0.127 1
1 1267 . 9 2 2 B 17 17 ASN N N 115 117.923 118.103 -0.180 1
1 1269 . 9 2 2 B 18 18 GLU H H 116 8.110 8.524 -0.414 1
1 1270 . 9 2 2 B 18 18 GLU HA H 116 4.146 4.013 0.133 1
1 1275 . 9 2 2 B 18 18 GLU C C 116 178.956 179.255 -0.299 1
1 1276 . 9 2 2 B 18 18 GLU CA C 116 59.659 59.765 -0.106 1
1 1277 . 9 2 2 B 18 18 GLU CB C 116 29.950 29.504 0.446 1
1 1279 . 9 2 2 B 18 18 GLU N N 116 120.249 120.019 0.230 1
1 1280 . 9 2 2 B 19 19 ARG H H 117 7.925 8.458 -0.533 1
1 1281 . 9 2 2 B 19 19 ARG HA H 117 4.057 4.140 -0.083 1
1 1289 . 9 2 2 B 19 19 ARG C C 117 180.070 178.416 1.654 1
1 1290 . 9 2 2 B 19 19 ARG CA C 117 59.564 58.681 0.883 1
1 1291 . 9 2 2 B 19 19 ARG CB C 117 29.879 30.346 -0.467 1
1 1294 . 9 2 2 B 19 19 ARG N N 117 119.801 119.136 0.665 1
1 1296 . 9 2 2 B 20 20 HIS H H 118 8.316 7.718 0.598 1
1 1297 . 9 2 2 B 20 20 HIS HA H 118 4.574 4.415 0.159 1
1 1304 . 9 2 2 B 20 20 HIS C C 118 176.784 177.787 -1.003 1
1 1305 . 9 2 2 B 20 20 HIS CA C 118 58.397 59.554 -1.157 1
1 1306 . 9 2 2 B 20 20 HIS CB C 118 29.343 30.389 -1.046 1
1 1309 . 9 2 2 B 20 20 HIS N N 118 117.802 117.609 0.193 1
1 1310 . 9 2 2 B 21 21 GLU H H 119 8.400 8.682 -0.282 1
1 1311 . 9 2 2 B 21 21 GLU HA H 119 4.268 3.802 0.466 1
1 1316 . 9 2 2 B 21 21 GLU C C 119 178.566 179.415 -0.849 1
1 1317 . 9 2 2 B 21 21 GLU CA C 119 59.105 59.926 -0.821 1
1 1318 . 9 2 2 B 21 21 GLU CB C 119 29.559 29.224 0.335 1
1 1320 . 9 2 2 B 21 21 GLU N N 119 121.996 119.745 2.251 1
1 1321 . 9 2 2 B 22 22 GLU H H 120 8.285 8.513 -0.228 1
1 1322 . 9 2 2 B 22 22 GLU HA H 120 4.204 4.012 0.192 1
1 1327 . 9 2 2 B 22 22 GLU C C 120 178.288 179.151 -0.863 1
1 1328 . 9 2 2 B 22 22 GLU CA C 120 58.841 59.288 -0.447 1
1 1329 . 9 2 2 B 22 22 GLU CB C 120 29.322 29.357 -0.035 1
1 1331 . 9 2 2 B 22 22 GLU N N 120 119.798 120.779 -0.981 1
1 1332 . 9 2 2 B 23 23 ALA H H 121 8.037 8.244 -0.207 1
1 1333 . 9 2 2 B 23 23 ALA HA H 121 4.270 4.011 0.259 1
1 1337 . 9 2 2 B 23 23 ALA C C 121 179.569 179.668 -0.099 1
1 1338 . 9 2 2 B 23 23 ALA CA C 121 54.158 54.786 -0.628 1
1 1339 . 9 2 2 B 23 23 ALA CB C 121 18.923 18.114 0.809 1
1 1340 . 9 2 2 B 23 23 ALA N N 121 122.418 122.515 -0.097 1
1 1341 . 9 2 2 B 24 24 GLU H H 122 8.039 7.848 0.191 1
1 1342 . 9 2 2 B 24 24 GLU HA H 122 4.291 3.980 0.311 1
1 1347 . 9 2 2 B 24 24 GLU C C 122 177.954 179.826 -1.872 1
1 1348 . 9 2 2 B 24 24 GLU CA C 122 58.023 59.318 -1.295 1
1 1349 . 9 2 2 B 24 24 GLU CB C 122 29.566 29.976 -0.410 1
1 1351 . 9 2 2 B 24 24 GLU N N 122 119.517 118.178 1.339 1
1 1352 . 9 2 2 B 25 25 LEU H H 123 7.962 8.724 -0.762 1
1 1353 . 9 2 2 B 25 25 LEU HA H 123 4.226 4.015 0.211 1
1 1363 . 9 2 2 B 25 25 LEU C C 123 179.123 179.376 -0.253 1
1 1364 . 9 2 2 B 25 25 LEU CA C 123 57.213 58.101 -0.888 1
1 1365 . 9 2 2 B 25 25 LEU CB C 123 41.809 41.178 0.631 1
1 1369 . 9 2 2 B 25 25 LEU N N 123 120.617 120.527 0.090 1
1 1370 . 9 2 2 B 26 26 GLU H H 124 8.093 8.614 -0.521 1
1 1371 . 9 2 2 B 26 26 GLU HA H 124 4.140 3.963 0.177 1
1 1376 . 9 2 2 B 26 26 GLU C C 124 177.954 178.866 -0.912 1
1 1377 . 9 2 2 B 26 26 GLU CA C 124 58.095 59.408 -1.313 1
1 1378 . 9 2 2 B 26 26 GLU CB C 124 29.910 29.170 0.740 1
1 1380 . 9 2 2 B 26 26 GLU N N 124 119.473 120.851 -1.378 1
1 1381 . 9 2 2 B 27 27 ARG H H 125 7.954 8.288 -0.334 1
1 1382 . 9 2 2 B 27 27 ARG HA H 125 4.210 4.756 -0.546 1
1 1390 . 9 2 2 B 27 27 ARG C C 125 177.619 178.677 -1.058 1
1 1391 . 9 2 2 B 27 27 ARG CA C 125 57.677 58.799 -1.122 1
1 1392 . 9 2 2 B 27 27 ARG CB C 125 30.374 29.836 0.538 1
1 1395 . 9 2 2 B 27 27 ARG N N 125 120.670 120.126 0.544 1
1 1397 . 9 2 2 B 28 28 LEU H H 126 8.038 7.844 0.194 1
1 1398 . 9 2 2 B 28 28 LEU HA H 126 4.270 4.136 0.134 1
1 1408 . 9 2 2 B 28 28 LEU C C 126 178.065 178.745 -0.680 1
1 1409 . 9 2 2 B 28 28 LEU CA C 126 56.096 57.465 -1.369 1
1 1410 . 9 2 2 B 28 28 LEU CB C 126 42.252 41.885 0.367 1
1 1414 . 9 2 2 B 28 28 LEU N N 126 120.818 120.837 -0.019 1
1 1415 . 9 2 2 B 29 29 LYS H H 127 7.944 7.630 0.314 1
1 1416 . 9 2 2 B 29 29 LYS HA H 127 4.270 4.390 -0.120 1
1 1425 . 9 2 2 B 29 29 LYS C C 127 176.951 176.317 0.634 1
1 1426 . 9 2 2 B 29 29 LYS CA C 127 57.168 57.602 -0.434 1
1 1427 . 9 2 2 B 29 29 LYS CB C 127 32.755 33.271 -0.516 1
1 1431 . 9 2 2 B 29 29 LYS N N 127 119.960 117.048 2.912 1
1 1432 . 9 2 2 B 30 30 SER H H 128 8.030 7.843 0.187 1
1 1433 . 9 2 2 B 30 30 SER HA H 128 4.466 5.007 -0.541 1
1 1436 . 9 2 2 B 30 30 SER C C 128 176.101 173.271 2.830 1
1 1437 . 9 2 2 B 30 30 SER CA C 128 58.590 57.665 0.925 1
1 1438 . 9 2 2 B 30 30 SER CB C 128 63.939 65.449 -1.510 1
1 1439 . 9 2 2 B 30 30 SER N N 128 115.496 115.305 0.191 1
1 1440 . 9 2 2 B 31 31 GLU H H 129 8.157 8.792 -0.635 1
1 1441 . 9 2 2 B 31 31 GLU HA H 129 4.291 4.488 -0.197 1
1 1446 . 9 2 2 B 31 31 GLU C C 129 175.112 174.527 0.585 1
1 1447 . 9 2 2 B 31 31 GLU CA C 129 56.654 55.739 0.915 1
1 1448 . 9 2 2 B 31 31 GLU CB C 129 30.389 27.932 2.457 1
1 1450 . 9 2 2 B 31 31 GLU N N 129 122.569 126.068 -3.499 1
1 1 . 10 1 1 A 2 2 VAL H H 2 7.944 7.647 0.297 1
1 2 . 10 1 1 A 2 2 VAL HA H 2 4.035 4.103 -0.068 1
1 10 . 10 1 1 A 2 2 VAL C C 2 174.807 175.459 -0.652 1
1 11 . 10 1 1 A 2 2 VAL CA C 2 61.947 61.397 0.550 1
1 12 . 10 1 1 A 2 2 VAL CB C 2 33.175 31.764 1.411 1
1 15 . 10 1 1 A 2 2 VAL N N 2 123.960 113.264 10.696 1
1 16 . 10 1 1 A 3 3 GLU H H 3 8.465 8.829 -0.364 1
1 17 . 10 1 1 A 3 3 GLU HA H 3 4.168 4.835 -0.667 1
1 22 . 10 1 1 A 3 3 GLU C C 3 175.888 175.229 0.659 1
1 23 . 10 1 1 A 3 3 GLU CA C 3 56.487 54.966 1.521 1
1 24 . 10 1 1 A 3 3 GLU CB C 3 30.349 31.981 -1.632 1
1 26 . 10 1 1 A 3 3 GLU N N 3 125.549 127.021 -1.472 1
1 27 . 10 1 1 A 4 4 PHE H H 4 8.330 8.608 -0.278 1
1 28 . 10 1 1 A 4 4 PHE HA H 4 4.651 4.913 -0.262 1
1 36 . 10 1 1 A 4 4 PHE C C 4 175.550 176.073 -0.523 1
1 37 . 10 1 1 A 4 4 PHE CA C 4 57.827 56.988 0.839 1
1 38 . 10 1 1 A 4 4 PHE CB C 4 39.623 42.937 -3.314 1
1 44 . 10 1 1 A 4 4 PHE N N 4 121.869 119.100 2.769 1
1 45 . 10 1 1 A 5 5 SER H H 5 8.177 9.078 -0.901 1
1 46 . 10 1 1 A 5 5 SER HA H 5 4.395 4.345 0.050 1
1 49 . 10 1 1 A 5 5 SER C C 5 173.996 174.168 -0.172 1
1 50 . 10 1 1 A 5 5 SER CA C 5 58.045 59.474 -1.429 1
1 51 . 10 1 1 A 5 5 SER CB C 5 64.050 64.303 -0.253 1
1 52 . 10 1 1 A 5 5 SER N N 5 117.865 116.680 1.185 1
1 53 . 10 1 1 A 6 6 GLU H H 6 8.425 8.338 0.087 1
1 54 . 10 1 1 A 6 6 GLU HA H 6 4.290 4.342 -0.052 1
1 59 . 10 1 1 A 6 6 GLU C C 6 176.699 176.239 0.460 1
1 60 . 10 1 1 A 6 6 GLU CA C 6 56.479 57.232 -0.753 1
1 61 . 10 1 1 A 6 6 GLU CB C 6 30.715 30.163 0.552 1
1 63 . 10 1 1 A 6 6 GLU N N 6 122.791 120.334 2.457 1
1 64 . 10 1 1 A 7 7 GLU H H 7 8.421 8.777 -0.356 1
1 65 . 10 1 1 A 7 7 GLU HA H 7 4.742 4.042 0.700 1
1 70 . 10 1 1 A 7 7 GLU C C 7 175.145 175.662 -0.517 1
1 71 . 10 1 1 A 7 7 GLU CA C 7 55.617 57.347 -1.730 1
1 72 . 10 1 1 A 7 7 GLU CB C 7 29.095 27.074 2.021 1
1 74 . 10 1 1 A 7 7 GLU N N 7 122.775 121.613 1.162 1
1 75 . 10 1 1 A 8 8 CYS H H 8 7.917 7.799 0.118 1
1 76 . 10 1 1 A 8 8 CYS HA H 8 4.969 5.216 -0.247 1
1 79 . 10 1 1 A 8 8 CYS C C 8 171.610 172.085 -0.475 1
1 80 . 10 1 1 A 8 8 CYS CA C 8 53.880 54.442 -0.562 1
1 81 . 10 1 1 A 8 8 CYS CB C 8 43.144 44.555 -1.411 1
1 82 . 10 1 1 A 8 8 CYS N N 8 115.067 118.221 -3.154 1
1 83 . 10 1 1 A 9 9 MET H H 9 9.379 9.634 -0.255 1
1 84 . 10 1 1 A 9 9 MET HA H 9 5.049 4.855 0.194 1
1 89 . 10 1 1 A 9 9 MET C C 9 174.038 175.478 -1.440 1
1 90 . 10 1 1 A 9 9 MET CA C 9 53.312 54.000 -0.688 1
1 91 . 10 1 1 A 9 9 MET CB C 9 36.165 35.121 1.044 1
1 93 . 10 1 1 A 9 9 MET N N 9 117.763 124.599 -6.836 1
1 94 . 10 1 1 A 10 10 HIS H H 10 9.610 8.243 1.367 1
1 95 . 10 1 1 A 10 10 HIS HA H 10 4.877 4.831 0.046 1
1 102 . 10 1 1 A 10 10 HIS C C 10 176.698 175.519 1.179 1
1 103 . 10 1 1 A 10 10 HIS CA C 10 55.016 56.646 -1.630 1
1 104 . 10 1 1 A 10 10 HIS CB C 10 31.116 29.345 1.771 1
1 107 . 10 1 1 A 10 10 HIS N N 10 124.293 122.540 1.753 1
1 108 . 10 1 1 A 11 11 GLY H H 11 9.249 9.024 0.225 1
1 109 . 10 1 1 A 11 11 GLY HA2 H 11 4.104 3.825 0.279 1
1 110 . 10 1 1 A 11 11 GLY HA3 H 11 3.843 3.852 -0.009 1
1 111 . 10 1 1 A 11 11 GLY C C 11 174.559 174.843 -0.284 1
1 112 . 10 1 1 A 11 11 GLY CA C 11 47.652 45.850 1.802 1
1 113 . 10 1 1 A 11 11 GLY N N 11 115.224 111.824 3.400 1
1 114 . 10 1 1 A 12 12 SER H H 12 8.999 8.771 0.228 1
1 115 . 10 1 1 A 12 12 SER HA H 12 4.653 4.547 0.106 1
1 118 . 10 1 1 A 12 12 SER C C 12 176.178 175.887 0.291 1
1 119 . 10 1 1 A 12 12 SER CA C 12 57.731 58.582 -0.851 1
1 120 . 10 1 1 A 12 12 SER CB C 12 63.439 64.087 -0.648 1
1 121 . 10 1 1 A 12 12 SER N N 12 121.965 120.294 1.671 1
1 122 . 10 1 1 A 13 13 GLY H H 13 9.022 7.832 1.190 1
1 123 . 10 1 1 A 13 13 GLY HA2 H 13 4.052 3.861 0.191 1
1 124 . 10 1 1 A 13 13 GLY HA3 H 13 3.957 3.875 0.082 1
1 125 . 10 1 1 A 13 13 GLY C C 13 176.178 175.456 0.722 1
1 126 . 10 1 1 A 13 13 GLY CA C 13 47.972 45.547 2.425 1
1 127 . 10 1 1 A 13 13 GLY N N 13 109.294 109.566 -0.272 1
1 128 . 10 1 1 A 14 14 GLU H H 14 9.552 8.491 1.061 1
1 129 . 10 1 1 A 14 14 GLU HA H 14 4.347 4.466 -0.119 1
1 134 . 10 1 1 A 14 14 GLU C C 14 177.045 178.111 -1.066 1
1 135 . 10 1 1 A 14 14 GLU CA C 14 60.282 58.953 1.329 1
1 136 . 10 1 1 A 14 14 GLU CB C 14 29.145 29.595 -0.450 1
1 138 . 10 1 1 A 14 14 GLU N N 14 123.736 121.109 2.627 1
1 139 . 10 1 1 A 15 15 ASN H H 15 8.425 7.734 0.691 1
1 140 . 10 1 1 A 15 15 ASN HA H 15 5.030 4.891 0.139 1
1 144 . 10 1 1 A 15 15 ASN C C 15 174.848 174.978 -0.130 1
1 145 . 10 1 1 A 15 15 ASN CA C 15 51.725 53.149 -1.424 1
1 146 . 10 1 1 A 15 15 ASN CB C 15 38.404 38.733 -0.329 1
1 147 . 10 1 1 A 15 15 ASN N N 15 112.918 116.167 -3.249 1
1 150 . 10 1 1 A 16 16 TYR H H 16 7.622 7.411 0.211 1
1 151 . 10 1 1 A 16 16 TYR HA H 16 4.445 4.292 0.153 1
1 159 . 10 1 1 A 16 16 TYR C C 16 175.773 175.644 0.129 1
1 160 . 10 1 1 A 16 16 TYR CA C 16 60.125 59.753 0.372 1
1 161 . 10 1 1 A 16 16 TYR CB C 16 38.590 39.038 -0.448 1
1 166 . 10 1 1 A 16 16 TYR N N 16 121.437 123.225 -1.788 1
1 167 . 10 1 1 A 17 17 ASP H H 17 8.722 8.417 0.305 1
1 168 . 10 1 1 A 17 17 ASP HA H 17 4.599 4.853 -0.254 1
1 171 . 10 1 1 A 17 17 ASP C C 17 175.748 176.425 -0.677 1
1 172 . 10 1 1 A 17 17 ASP CA C 17 52.327 52.898 -0.571 1
1 173 . 10 1 1 A 17 17 ASP CB C 17 42.265 41.683 0.582 1
1 174 . 10 1 1 A 17 17 ASP N N 17 130.345 124.609 5.736 1
1 175 . 10 1 1 A 18 18 GLY H H 18 4.504 6.870 -2.366 1
1 176 . 10 1 1 A 18 18 GLY HA2 H 18 4.092 3.411 0.681 1
1 177 . 10 1 1 A 18 18 GLY HA3 H 18 3.786 3.726 0.060 1
1 178 . 10 1 1 A 18 18 GLY C C 18 174.732 172.362 2.370 1
1 179 . 10 1 1 A 18 18 GLY CA C 18 44.739 44.230 0.509 1
1 180 . 10 1 1 A 18 18 GLY N N 18 104.445 108.367 -3.922 1
1 181 . 10 1 1 A 19 19 LYS H H 19 9.272 8.237 1.035 1
1 182 . 10 1 1 A 19 19 LYS HA H 19 3.248 3.231 0.017 1
1 191 . 10 1 1 A 19 19 LYS C C 19 176.409 174.982 1.427 1
1 192 . 10 1 1 A 19 19 LYS CA C 19 55.454 55.028 0.426 1
1 193 . 10 1 1 A 19 19 LYS CB C 19 32.499 30.962 1.537 1
1 197 . 10 1 1 A 19 19 LYS N N 19 117.569 120.030 -2.461 1
1 198 . 10 1 1 A 20 20 ILE H H 20 7.559 8.339 -0.780 1
1 199 . 10 1 1 A 20 20 ILE HA H 20 3.991 4.678 -0.687 1
1 209 . 10 1 1 A 20 20 ILE C C 20 176.756 176.781 -0.025 1
1 210 . 10 1 1 A 20 20 ILE CA C 20 64.261 60.357 3.904 1
1 211 . 10 1 1 A 20 20 ILE CB C 20 36.212 39.004 -2.792 1
1 215 . 10 1 1 A 20 20 ILE N N 20 122.778 124.473 -1.695 1
1 216 . 10 1 1 A 21 21 SER H H 21 8.817 8.947 -0.130 1
1 217 . 10 1 1 A 21 21 SER HA H 21 5.128 5.009 0.119 1
1 220 . 10 1 1 A 21 21 SER C C 21 172.708 173.626 -0.918 1
1 221 . 10 1 1 A 21 21 SER CA C 21 57.513 57.447 0.066 1
1 222 . 10 1 1 A 21 21 SER CB C 21 65.126 64.593 0.533 1
1 223 . 10 1 1 A 21 21 SER N N 21 122.859 119.174 3.685 1
1 224 . 10 1 1 A 22 22 LYS H H 22 7.150 7.724 -0.574 1
1 225 . 10 1 1 A 22 22 LYS HA H 22 5.530 5.448 0.082 1
1 234 . 10 1 1 A 22 22 LYS C C 22 176.120 175.889 0.231 1
1 235 . 10 1 1 A 22 22 LYS CA C 22 53.471 54.435 -0.964 1
1 236 . 10 1 1 A 22 22 LYS CB C 22 37.049 35.830 1.219 1
1 240 . 10 1 1 A 22 22 LYS N N 22 119.681 121.140 -1.459 1
1 241 . 10 1 1 A 23 23 THR H H 23 9.134 8.785 0.349 1
1 242 . 10 1 1 A 23 23 THR HA H 23 4.630 4.812 -0.182 1
1 248 . 10 1 1 A 23 23 THR C C 23 177.971 175.975 1.996 1
1 249 . 10 1 1 A 23 23 THR CA C 23 61.032 60.414 0.618 1
1 250 . 10 1 1 A 23 23 THR CB C 23 70.818 70.588 0.230 1
1 252 . 10 1 1 A 23 23 THR N N 23 111.072 112.961 -1.889 1
1 253 . 10 1 1 A 24 24 MET H H 24 9.383 9.212 0.171 1
1 254 . 10 1 1 A 24 24 MET HA H 24 4.168 4.250 -0.082 1
1 259 . 10 1 1 A 24 24 MET C C 24 176.122 177.460 -1.338 1
1 260 . 10 1 1 A 24 24 MET CA C 24 58.704 57.608 1.096 1
1 261 . 10 1 1 A 24 24 MET CB C 24 32.546 32.537 0.009 1
1 263 . 10 1 1 A 24 24 MET N N 24 118.120 119.655 -1.535 1
1 264 . 10 1 1 A 25 25 SER H H 25 7.763 8.237 -0.474 1
1 265 . 10 1 1 A 25 25 SER HA H 25 4.575 4.532 0.043 1
1 269 . 10 1 1 A 25 25 SER C C 25 174.848 174.662 0.186 1
1 270 . 10 1 1 A 25 25 SER CA C 25 58.895 58.595 0.300 1
1 271 . 10 1 1 A 25 25 SER CB C 25 62.844 64.109 -1.265 1
1 272 . 10 1 1 A 25 25 SER N N 25 113.626 113.597 0.029 1
1 273 . 10 1 1 A 26 26 GLY H H 26 8.136 8.101 0.035 1
1 274 . 10 1 1 A 26 26 GLY HA2 H 26 4.305 3.913 0.392 1
1 275 . 10 1 1 A 26 26 GLY HA3 H 26 3.503 3.916 -0.413 1
1 276 . 10 1 1 A 26 26 GLY C C 26 174.212 174.748 -0.536 1
1 277 . 10 1 1 A 26 26 GLY CA C 26 45.125 45.701 -0.576 1
1 278 . 10 1 1 A 26 26 GLY N N 26 110.819 110.121 0.698 1
1 279 . 10 1 1 A 27 27 LEU H H 27 7.183 7.840 -0.657 1
1 280 . 10 1 1 A 27 27 LEU HA H 27 4.319 4.400 -0.081 1
1 290 . 10 1 1 A 27 27 LEU C C 27 176.178 176.507 -0.329 1
1 291 . 10 1 1 A 27 27 LEU CA C 27 54.211 54.842 -0.631 1
1 292 . 10 1 1 A 27 27 LEU CB C 27 42.260 42.520 -0.260 1
1 296 . 10 1 1 A 27 27 LEU N N 27 120.765 122.151 -1.386 1
1 297 . 10 1 1 A 28 28 GLU H H 28 8.699 8.706 -0.007 1
1 298 . 10 1 1 A 28 28 GLU HA H 28 4.506 4.476 0.030 1
1 303 . 10 1 1 A 28 28 GLU C C 28 177.161 176.487 0.674 1
1 304 . 10 1 1 A 28 28 GLU CA C 28 56.451 56.069 0.382 1
1 305 . 10 1 1 A 28 28 GLU CB C 28 30.018 30.770 -0.752 1
1 307 . 10 1 1 A 28 28 GLU N N 28 122.582 120.872 1.710 1
1 308 . 10 1 1 A 29 29 CYS H H 29 8.624 8.940 -0.316 1
1 309 . 10 1 1 A 29 29 CYS HA H 29 4.812 5.287 -0.475 1
1 312 . 10 1 1 A 29 29 CYS C C 29 177.045 172.824 4.221 1
1 313 . 10 1 1 A 29 29 CYS CA C 29 55.189 55.255 -0.066 1
1 314 . 10 1 1 A 29 29 CYS CB C 29 37.938 43.250 -5.312 1
1 315 . 10 1 1 A 29 29 CYS N N 29 125.564 124.182 1.382 1
1 316 . 10 1 1 A 30 30 GLN H H 30 9.664 8.873 0.791 1
1 317 . 10 1 1 A 30 30 GLN HA H 30 3.841 4.547 -0.706 1
1 324 . 10 1 1 A 30 30 GLN C C 30 175.310 175.941 -0.631 1
1 325 . 10 1 1 A 30 30 GLN CA C 30 55.501 54.650 0.851 1
1 326 . 10 1 1 A 30 30 GLN CB C 30 29.943 30.230 -0.287 1
1 328 . 10 1 1 A 30 30 GLN N N 30 127.687 125.157 2.530 1
1 330 . 10 1 1 A 31 31 ALA H H 31 8.728 8.791 -0.063 1
1 331 . 10 1 1 A 31 31 ALA HA H 31 4.052 4.427 -0.375 1
1 335 . 10 1 1 A 31 31 ALA C C 31 178.722 178.557 0.165 1
1 336 . 10 1 1 A 31 31 ALA CA C 31 52.327 52.848 -0.521 1
1 337 . 10 1 1 A 31 31 ALA CB C 31 18.034 19.678 -1.644 1
1 338 . 10 1 1 A 31 31 ALA N N 31 128.680 128.642 0.038 1
1 339 . 10 1 1 A 32 32 TRP H H 32 7.703 8.859 -1.156 1
1 340 . 10 1 1 A 32 32 TRP HA H 32 4.244 4.523 -0.279 1
1 349 . 10 1 1 A 32 32 TRP C C 32 177.566 177.317 0.249 1
1 350 . 10 1 1 A 32 32 TRP CA C 32 59.531 59.738 -0.207 1
1 351 . 10 1 1 A 32 32 TRP CB C 32 29.953 29.341 0.612 1
1 357 . 10 1 1 A 32 32 TRP N N 32 123.505 124.438 -0.933 1
1 359 . 10 1 1 A 33 33 ASP H H 33 8.797 8.514 0.283 1
1 360 . 10 1 1 A 33 33 ASP HA H 33 4.634 4.706 -0.072 1
1 363 . 10 1 1 A 33 33 ASP C C 33 175.831 175.223 0.608 1
1 364 . 10 1 1 A 33 33 ASP CA C 33 54.398 53.990 0.408 1
1 365 . 10 1 1 A 33 33 ASP CB C 33 40.707 40.036 0.671 1
1 366 . 10 1 1 A 33 33 ASP N N 33 113.424 116.014 -2.590 1
1 367 . 10 1 1 A 34 34 SER H H 34 8.039 7.813 0.226 1
1 368 . 10 1 1 A 34 34 SER HA H 34 4.737 4.900 -0.163 1
1 372 . 10 1 1 A 34 34 SER C C 34 174.096 174.014 0.082 1
1 373 . 10 1 1 A 34 34 SER CA C 34 56.454 56.346 0.108 1
1 374 . 10 1 1 A 34 34 SER CB C 34 65.137 64.943 0.194 1
1 375 . 10 1 1 A 34 34 SER N N 34 114.429 114.225 0.204 1
1 376 . 10 1 1 A 35 35 GLN H H 35 8.387 8.664 -0.277 1
1 377 . 10 1 1 A 35 35 GLN HA H 35 4.426 4.563 -0.137 1
1 384 . 10 1 1 A 35 35 GLN C C 35 173.518 174.292 -0.774 1
1 385 . 10 1 1 A 35 35 GLN CA C 35 54.020 56.056 -2.036 1
1 386 . 10 1 1 A 35 35 GLN CB C 35 28.804 29.260 -0.456 1
1 388 . 10 1 1 A 35 35 GLN N N 35 123.700 125.778 -2.078 1
1 390 . 10 1 1 A 36 36 SER H H 36 7.746 7.713 0.033 1
1 391 . 10 1 1 A 36 36 SER HA H 36 4.466 4.992 -0.526 1
1 395 . 10 1 1 A 36 36 SER C C 36 172.824 173.842 -1.018 1
1 396 . 10 1 1 A 36 36 SER CA C 36 54.749 55.575 -0.826 1
1 397 . 10 1 1 A 36 36 SER CB C 36 65.162 65.412 -0.250 1
1 398 . 10 1 1 A 36 36 SER N N 36 112.974 115.804 -2.830 1
1 399 . 10 1 1 A 37 37 PRO HA H 37 4.382 4.544 -0.162 1
1 406 . 10 1 1 A 37 37 PRO C C 37 176.351 176.243 0.108 1
1 407 . 10 1 1 A 37 37 PRO CA C 37 64.110 64.132 -0.022 1
1 408 . 10 1 1 A 37 37 PRO CB C 37 33.670 31.889 1.781 1
1 411 . 10 1 1 A 38 38 HIS H H 38 8.764 7.459 1.305 1
1 412 . 10 1 1 A 38 38 HIS HA H 38 4.897 4.699 0.198 1
1 417 . 10 1 1 A 38 38 HIS C C 38 178.144 174.455 3.689 1
1 418 . 10 1 1 A 38 38 HIS CA C 38 55.580 55.522 0.058 1
1 419 . 10 1 1 A 38 38 HIS CB C 38 30.421 29.851 0.570 1
1 422 . 10 1 1 A 38 38 HIS N N 38 122.516 117.271 5.245 1
1 423 . 10 1 1 A 39 39 ALA H H 39 8.673 8.587 0.086 1
1 424 . 10 1 1 A 39 39 ALA HA H 39 4.493 4.532 -0.039 1
1 428 . 10 1 1 A 39 39 ALA C C 39 178.375 177.185 1.190 1
1 429 . 10 1 1 A 39 39 ALA CA C 39 51.440 52.465 -1.025 1
1 430 . 10 1 1 A 39 39 ALA CB C 39 18.980 19.413 -0.433 1
1 431 . 10 1 1 A 39 39 ALA N N 39 128.546 127.948 0.598 1
1 432 . 10 1 1 A 40 40 HIS H H 40 9.291 9.304 -0.013 1
1 433 . 10 1 1 A 40 40 HIS HA H 40 4.734 5.356 -0.622 1
1 439 . 10 1 1 A 40 40 HIS C C 40 175.484 175.484 0.000 1
1 440 . 10 1 1 A 40 40 HIS CA C 40 56.141 53.833 2.308 1
1 441 . 10 1 1 A 40 40 HIS CB C 40 35.545 31.638 3.907 1
1 444 . 10 1 1 A 40 40 HIS N N 40 120.682 116.846 3.836 1
1 445 . 10 1 1 A 41 41 GLY H H 41 9.080 9.128 -0.048 1
1 446 . 10 1 1 A 41 41 GLY HA2 H 41 4.602 3.788 0.814 1
1 447 . 10 1 1 A 41 41 GLY HA3 H 41 3.671 3.821 -0.150 1
1 448 . 10 1 1 A 41 41 GLY C C 41 176.409 173.828 2.581 1
1 449 . 10 1 1 A 41 41 GLY CA C 41 44.724 45.328 -0.604 1
1 450 . 10 1 1 A 41 41 GLY N N 41 106.159 108.529 -2.370 1
1 451 . 10 1 1 A 42 42 TYR H H 42 11.980 8.245 3.735 1
1 452 . 10 1 1 A 42 42 TYR HA H 42 4.616 5.089 -0.473 1
1 459 . 10 1 1 A 42 42 TYR C C 42 174.385 175.322 -0.937 1
1 460 . 10 1 1 A 42 42 TYR CA C 42 57.579 57.095 0.484 1
1 461 . 10 1 1 A 42 42 TYR CB C 42 36.198 36.814 -0.616 1
1 466 . 10 1 1 A 42 42 TYR N N 42 133.554 119.921 13.633 1
1 467 . 10 1 1 A 43 43 ILE H H 43 7.120 8.511 -1.391 1
1 468 . 10 1 1 A 43 43 ILE HA H 43 4.630 4.613 0.017 1
1 478 . 10 1 1 A 43 43 ILE C C 43 177.219 176.241 0.978 1
1 479 . 10 1 1 A 43 43 ILE CA C 43 58.201 58.505 -0.304 1
1 480 . 10 1 1 A 43 43 ILE CB C 43 38.761 37.663 1.098 1
1 484 . 10 1 1 A 43 43 ILE N N 43 118.881 125.731 -6.850 1
1 485 . 10 1 1 A 44 44 PRO HA H 44 4.193 4.401 -0.208 1
1 492 . 10 1 1 A 44 44 PRO C C 44 178.780 177.993 0.787 1
1 493 . 10 1 1 A 44 44 PRO CA C 44 67.061 64.722 2.339 1
1 494 . 10 1 1 A 44 44 PRO CB C 44 32.267 32.224 0.043 1
1 497 . 10 1 1 A 45 45 SER H H 45 7.984 8.184 -0.200 1
1 498 . 10 1 1 A 45 45 SER HA H 45 4.087 4.299 -0.212 1
1 502 . 10 1 1 A 45 45 SER C C 45 176.004 175.361 0.643 1
1 503 . 10 1 1 A 45 45 SER CA C 45 60.161 60.308 -0.147 1
1 504 . 10 1 1 A 45 45 SER CB C 45 62.260 62.672 -0.412 1
1 505 . 10 1 1 A 45 45 SER N N 45 107.865 111.653 -3.788 1
1 506 . 10 1 1 A 46 46 LYS H H 46 7.769 7.475 0.294 1
1 507 . 10 1 1 A 46 46 LYS HA H 46 3.965 4.323 -0.358 1
1 516 . 10 1 1 A 46 46 LYS C C 46 175.831 176.317 -0.486 1
1 517 . 10 1 1 A 46 46 LYS CA C 46 57.349 56.772 0.577 1
1 518 . 10 1 1 A 46 46 LYS CB C 46 33.283 32.881 0.402 1
1 522 . 10 1 1 A 46 46 LYS N N 46 121.944 117.371 4.573 1
1 523 . 10 1 1 A 47 47 PHE H H 47 7.018 7.275 -0.257 1
1 524 . 10 1 1 A 47 47 PHE HA H 47 5.244 5.132 0.112 1
1 532 . 10 1 1 A 47 47 PHE C C 47 174.790 174.549 0.241 1
1 533 . 10 1 1 A 47 47 PHE CA C 47 54.142 54.651 -0.509 1
1 534 . 10 1 1 A 47 47 PHE CB C 47 39.434 38.671 0.763 1
1 539 . 10 1 1 A 47 47 PHE N N 47 115.480 119.693 -4.213 1
1 540 . 10 1 1 A 48 48 PRO HA H 48 4.472 4.523 -0.051 1
1 547 . 10 1 1 A 48 48 PRO C C 48 177.681 177.504 0.177 1
1 548 . 10 1 1 A 48 48 PRO CA C 48 65.513 64.665 0.848 1
1 549 . 10 1 1 A 48 48 PRO CB C 48 31.712 31.934 -0.222 1
1 552 . 10 1 1 A 49 49 ASN H H 49 8.559 8.502 0.057 1
1 553 . 10 1 1 A 49 49 ASN HA H 49 4.818 4.543 0.275 1
1 558 . 10 1 1 A 49 49 ASN C C 49 175.715 176.633 -0.918 1
1 559 . 10 1 1 A 49 49 ASN CA C 49 53.372 55.762 -2.390 1
1 560 . 10 1 1 A 49 49 ASN CB C 49 37.351 38.816 -1.465 1
1 561 . 10 1 1 A 49 49 ASN N N 49 114.836 116.879 -2.043 1
1 563 . 10 1 1 A 50 50 LYS H H 50 7.627 7.593 0.034 1
1 564 . 10 1 1 A 50 50 LYS HA H 50 4.480 4.388 0.092 1
1 573 . 10 1 1 A 50 50 LYS C C 50 175.079 175.639 -0.560 1
1 574 . 10 1 1 A 50 50 LYS CA C 50 53.336 55.672 -2.336 1
1 575 . 10 1 1 A 50 50 LYS CB C 50 31.284 32.151 -0.867 1
1 579 . 10 1 1 A 50 50 LYS N N 50 116.224 116.589 -0.365 1
1 580 . 10 1 1 A 51 51 ASN H H 51 7.945 8.161 -0.216 1
1 581 . 10 1 1 A 51 51 ASN HA H 51 4.304 4.383 -0.079 1
1 586 . 10 1 1 A 51 51 ASN C C 51 175.195 175.433 -0.238 1
1 587 . 10 1 1 A 51 51 ASN CA C 51 54.089 54.091 -0.002 1
1 588 . 10 1 1 A 51 51 ASN CB C 51 36.504 37.147 -0.643 1
1 589 . 10 1 1 A 51 51 ASN N N 51 115.331 116.786 -1.455 1
1 591 . 10 1 1 A 52 52 LEU H H 52 8.803 7.820 0.983 1
1 592 . 10 1 1 A 52 52 LEU HA H 52 3.412 4.254 -0.842 1
1 602 . 10 1 1 A 52 52 LEU C C 52 174.674 174.820 -0.146 1
1 603 . 10 1 1 A 52 52 LEU CA C 52 53.983 54.378 -0.395 1
1 604 . 10 1 1 A 52 52 LEU CB C 52 42.471 41.257 1.214 1
1 608 . 10 1 1 A 52 52 LEU N N 52 121.765 120.893 0.872 1
1 609 . 10 1 1 A 53 53 LYS H H 53 7.099 8.260 -1.161 1
1 610 . 10 1 1 A 53 53 LYS HA H 53 4.324 4.835 -0.511 1
1 619 . 10 1 1 A 53 53 LYS C C 53 173.460 176.695 -3.235 1
1 620 . 10 1 1 A 53 53 LYS CA C 53 54.843 54.474 0.369 1
1 621 . 10 1 1 A 53 53 LYS CB C 53 36.395 35.333 1.062 1
1 625 . 10 1 1 A 53 53 LYS N N 53 124.403 126.734 -2.331 1
1 626 . 10 1 1 A 54 54 LYS H H 54 8.805 8.982 -0.177 1
1 627 . 10 1 1 A 54 54 LYS HA H 54 3.692 3.920 -0.228 1
1 636 . 10 1 1 A 54 54 LYS C C 54 173.344 176.152 -2.808 1
1 637 . 10 1 1 A 54 54 LYS CA C 54 56.366 58.087 -1.721 1
1 638 . 10 1 1 A 54 54 LYS CB C 54 29.830 30.826 -0.996 1
1 642 . 10 1 1 A 54 54 LYS N N 54 118.125 117.525 0.600 1
1 643 . 10 1 1 A 55 55 ASN H H 55 7.567 8.326 -0.759 1
1 644 . 10 1 1 A 55 55 ASN HA H 55 4.643 4.643 0.000 1
1 649 . 10 1 1 A 55 55 ASN C C 55 172.188 174.912 -2.724 1
1 650 . 10 1 1 A 55 55 ASN CA C 55 51.091 51.632 -0.541 1
1 651 . 10 1 1 A 55 55 ASN CB C 55 37.234 37.889 -0.655 1
1 652 . 10 1 1 A 55 55 ASN N N 55 123.893 121.693 2.200 1
1 654 . 10 1 1 A 56 56 TYR H H 56 7.584 7.679 -0.095 1
1 655 . 10 1 1 A 56 56 TYR HA H 56 4.892 5.066 -0.174 1
1 662 . 10 1 1 A 56 56 TYR C C 56 177.276 176.057 1.219 1
1 663 . 10 1 1 A 56 56 TYR CA C 56 54.447 58.281 -3.834 1
1 664 . 10 1 1 A 56 56 TYR CB C 56 38.633 39.614 -0.981 1
1 669 . 10 1 1 A 56 56 TYR N N 56 115.237 120.315 -5.078 1
1 670 . 10 1 1 A 57 57 CYS H H 57 9.149 9.130 0.019 1
1 671 . 10 1 1 A 57 57 CYS HA H 57 4.398 4.652 -0.254 1
1 674 . 10 1 1 A 57 57 CYS C C 57 175.600 173.865 1.735 1
1 675 . 10 1 1 A 57 57 CYS CA C 57 59.824 57.471 2.353 1
1 676 . 10 1 1 A 57 57 CYS CB C 57 48.356 42.794 5.562 1
1 677 . 10 1 1 A 57 57 CYS N N 57 119.273 123.415 -4.142 1
1 678 . 10 1 1 A 58 58 ARG H H 58 9.138 8.416 0.722 1
1 679 . 10 1 1 A 58 58 ARG HA H 58 4.918 4.999 -0.081 1
1 687 . 10 1 1 A 58 58 ARG C C 58 173.576 174.441 -0.865 1
1 688 . 10 1 1 A 58 58 ARG CA C 58 53.187 54.232 -1.045 1
1 689 . 10 1 1 A 58 58 ARG CB C 58 29.412 34.500 -5.088 1
1 692 . 10 1 1 A 58 58 ARG N N 58 122.881 126.313 -3.432 1
1 694 . 10 1 1 A 59 59 ASN H H 59 8.868 8.507 0.361 1
1 695 . 10 1 1 A 59 59 ASN HA H 59 5.513 5.012 0.501 1
1 700 . 10 1 1 A 59 59 ASN C C 59 172.824 174.293 -1.469 1
1 701 . 10 1 1 A 59 59 ASN CA C 59 53.176 50.209 2.967 1
1 702 . 10 1 1 A 59 59 ASN CB C 59 37.237 38.945 -1.708 1
1 703 . 10 1 1 A 59 59 ASN N N 59 113.603 119.249 -5.646 1
1 705 . 10 1 1 A 60 60 PRO HA H 60 4.712 4.334 0.378 1
1 712 . 10 1 1 A 60 60 PRO C C 60 175.715 177.731 -2.016 1
1 713 . 10 1 1 A 60 60 PRO CA C 60 63.643 64.374 -0.731 1
1 714 . 10 1 1 A 60 60 PRO CB C 60 32.507 31.683 0.824 1
1 717 . 10 1 1 A 61 61 ASP H H 61 8.883 8.051 0.832 1
1 718 . 10 1 1 A 61 61 ASP HA H 61 4.495 4.519 -0.024 1
1 721 . 10 1 1 A 61 61 ASP C C 61 174.848 175.174 -0.326 1
1 722 . 10 1 1 A 61 61 ASP CA C 61 51.953 53.084 -1.131 1
1 723 . 10 1 1 A 61 61 ASP CB C 61 42.092 39.877 2.215 1
1 724 . 10 1 1 A 61 61 ASP N N 61 118.660 116.249 2.411 1
1 725 . 10 1 1 A 62 62 ARG H H 62 8.395 7.953 0.442 1
1 726 . 10 1 1 A 62 62 ARG HA H 62 3.789 3.871 -0.082 1
1 734 . 10 1 1 A 62 62 ARG C C 62 176.236 174.583 1.653 1
1 735 . 10 1 1 A 62 62 ARG CA C 62 57.318 56.910 0.408 1
1 736 . 10 1 1 A 62 62 ARG CB C 62 26.990 27.575 -0.585 1
1 739 . 10 1 1 A 62 62 ARG N N 62 116.013 115.268 0.745 1
1 741 . 10 1 1 A 63 63 ASP H H 63 9.735 8.318 1.417 1
1 742 . 10 1 1 A 63 63 ASP HA H 63 4.769 4.656 0.113 1
1 745 . 10 1 1 A 63 63 ASP C C 63 177.334 176.673 0.661 1
1 746 . 10 1 1 A 63 63 ASP CA C 63 51.973 52.875 -0.902 1
1 747 . 10 1 1 A 63 63 ASP CB C 63 42.698 42.792 -0.094 1
1 748 . 10 1 1 A 63 63 ASP N N 63 121.799 117.991 3.808 1
1 749 . 10 1 1 A 64 64 LEU H H 64 10.919 8.668 2.251 1
1 750 . 10 1 1 A 64 64 LEU HA H 64 3.995 4.161 -0.166 1
1 760 . 10 1 1 A 64 64 LEU C C 64 176.467 177.011 -0.544 1
1 761 . 10 1 1 A 64 64 LEU CA C 64 57.772 56.690 1.082 1
1 762 . 10 1 1 A 64 64 LEU CB C 64 43.630 42.715 0.915 1
1 766 . 10 1 1 A 64 64 LEU N N 64 121.789 122.019 -0.230 1
1 767 . 10 1 1 A 65 65 ARG H H 65 7.633 7.787 -0.154 1
1 768 . 10 1 1 A 65 65 ARG HA H 65 5.006 4.843 0.163 1
1 776 . 10 1 1 A 65 65 ARG C C 65 172.130 174.127 -1.997 1
1 777 . 10 1 1 A 65 65 ARG CA C 65 53.368 54.044 -0.676 1
1 778 . 10 1 1 A 65 65 ARG CB C 65 28.429 32.739 -4.310 1
1 781 . 10 1 1 A 65 65 ARG N N 65 108.790 113.259 -4.469 1
1 783 . 10 1 1 A 66 66 PRO HA H 66 4.281 4.552 -0.271 1
1 790 . 10 1 1 A 66 66 PRO C C 66 172.940 175.974 -3.034 1
1 791 . 10 1 1 A 66 66 PRO CA C 66 63.677 63.156 0.521 1
1 792 . 10 1 1 A 66 66 PRO CB C 66 32.592 32.744 -0.152 1
1 795 . 10 1 1 A 67 67 TRP H H 67 8.716 8.377 0.339 1
1 796 . 10 1 1 A 67 67 TRP HA H 67 5.406 5.190 0.216 1
1 805 . 10 1 1 A 67 67 TRP C C 67 172.919 173.479 -0.560 1
1 806 . 10 1 1 A 67 67 TRP CA C 67 56.035 55.617 0.418 1
1 807 . 10 1 1 A 67 67 TRP CB C 67 34.026 31.225 2.801 1
1 813 . 10 1 1 A 67 67 TRP N N 67 121.250 117.731 3.519 1
1 815 . 10 1 1 A 68 68 CYS H H 68 8.384 8.975 -0.591 1
1 816 . 10 1 1 A 68 68 CYS HA H 68 4.265 4.677 -0.412 1
1 819 . 10 1 1 A 68 68 CYS C C 68 175.079 172.811 2.268 1
1 820 . 10 1 1 A 68 68 CYS CA C 68 55.876 55.264 0.612 1
1 821 . 10 1 1 A 68 68 CYS CB C 68 42.232 45.845 -3.613 1
1 822 . 10 1 1 A 68 68 CYS N N 68 109.624 117.698 -8.074 1
1 823 . 10 1 1 A 69 69 PHE H H 69 8.031 8.331 -0.300 1
1 824 . 10 1 1 A 69 69 PHE HA H 69 5.420 4.791 0.629 1
1 832 . 10 1 1 A 69 69 PHE C C 69 176.814 175.930 0.884 1
1 833 . 10 1 1 A 69 69 PHE CA C 69 59.299 57.935 1.364 1
1 834 . 10 1 1 A 69 69 PHE CB C 69 38.411 39.535 -1.124 1
1 840 . 10 1 1 A 69 69 PHE N N 69 120.433 121.408 -0.975 1
1 841 . 10 1 1 A 70 70 THR H H 70 8.002 8.256 -0.254 1
1 842 . 10 1 1 A 70 70 THR HA H 70 5.408 4.905 0.503 1
1 848 . 10 1 1 A 70 70 THR C C 70 173.518 175.788 -2.270 1
1 849 . 10 1 1 A 70 70 THR CA C 70 61.208 60.266 0.942 1
1 850 . 10 1 1 A 70 70 THR CB C 70 70.441 71.367 -0.926 1
1 852 . 10 1 1 A 70 70 THR N N 70 112.351 114.640 -2.289 1
1 853 . 10 1 1 A 71 71 THR H H 71 8.126 8.539 -0.413 1
1 854 . 10 1 1 A 71 71 THR HA H 71 4.037 4.349 -0.312 1
1 860 . 10 1 1 A 71 71 THR C C 71 174.903 174.489 0.414 1
1 861 . 10 1 1 A 71 71 THR CA C 71 62.413 63.183 -0.770 1
1 862 . 10 1 1 A 71 71 THR CB C 71 69.167 69.330 -0.163 1
1 864 . 10 1 1 A 71 71 THR N N 71 104.863 112.892 -8.029 1
1 865 . 10 1 1 A 72 72 ASP H H 72 9.024 7.688 1.336 1
1 866 . 10 1 1 A 72 72 ASP HA H 72 4.936 4.769 0.167 1
1 869 . 10 1 1 A 72 72 ASP C C 72 176.929 176.332 0.597 1
1 870 . 10 1 1 A 72 72 ASP CA C 72 51.333 52.276 -0.943 1
1 871 . 10 1 1 A 72 72 ASP CB C 72 43.416 42.263 1.153 1
1 872 . 10 1 1 A 72 72 ASP N N 72 126.242 124.180 2.062 1
1 873 . 10 1 1 A 73 73 PRO HA H 73 3.962 4.624 -0.662 1
1 880 . 10 1 1 A 73 73 PRO C C 73 177.045 178.026 -0.981 1
1 881 . 10 1 1 A 73 73 PRO CA C 73 64.632 64.196 0.436 1
1 882 . 10 1 1 A 73 73 PRO CB C 73 32.460 31.904 0.556 1
1 885 . 10 1 1 A 74 74 ASN H H 74 8.943 8.186 0.757 1
1 886 . 10 1 1 A 74 74 ASN HA H 74 4.854 4.585 0.269 1
1 891 . 10 1 1 A 74 74 ASN C C 74 174.443 175.496 -1.053 1
1 892 . 10 1 1 A 74 74 ASN CA C 74 53.380 55.851 -2.471 1
1 893 . 10 1 1 A 74 74 ASN CB C 74 39.333 39.235 0.098 1
1 894 . 10 1 1 A 74 74 ASN N N 74 114.144 115.063 -0.919 1
1 896 . 10 1 1 A 75 75 LYS H H 75 7.795 7.987 -0.192 1
1 897 . 10 1 1 A 75 75 LYS HA H 75 4.571 4.290 0.281 1
1 906 . 10 1 1 A 75 75 LYS C C 75 173.402 176.650 -3.248 1
1 907 . 10 1 1 A 75 75 LYS CA C 75 54.154 55.370 -1.216 1
1 908 . 10 1 1 A 75 75 LYS CB C 75 32.186 32.890 -0.704 1
1 912 . 10 1 1 A 75 75 LYS N N 75 122.835 118.379 4.456 1
1 913 . 10 1 1 A 76 76 ARG H H 76 9.132 8.717 0.415 1
1 914 . 10 1 1 A 76 76 ARG HA H 76 4.555 3.837 0.718 1
1 922 . 10 1 1 A 76 76 ARG C C 76 175.137 175.769 -0.632 1
1 923 . 10 1 1 A 76 76 ARG CA C 76 60.532 57.681 2.851 1
1 924 . 10 1 1 A 76 76 ARG CB C 76 29.307 31.500 -2.193 1
1 927 . 10 1 1 A 76 76 ARG N N 76 129.676 125.252 4.424 1
1 929 . 10 1 1 A 77 77 TRP H H 77 7.559 7.237 0.322 1
1 930 . 10 1 1 A 77 77 TRP HA H 77 5.357 4.879 0.478 1
1 939 . 10 1 1 A 77 77 TRP C C 77 172.940 173.763 -0.823 1
1 940 . 10 1 1 A 77 77 TRP CA C 77 55.044 55.471 -0.427 1
1 941 . 10 1 1 A 77 77 TRP CB C 77 31.951 30.843 1.108 1
1 947 . 10 1 1 A 77 77 TRP N N 77 109.174 114.589 -5.415 1
1 949 . 10 1 1 A 78 78 GLU H H 78 8.638 8.905 -0.267 1
1 950 . 10 1 1 A 78 78 GLU HA H 78 3.671 4.643 -0.972 1
1 955 . 10 1 1 A 78 78 GLU C C 78 174.501 175.037 -0.536 1
1 956 . 10 1 1 A 78 78 GLU CA C 78 55.659 55.334 0.325 1
1 957 . 10 1 1 A 78 78 GLU CB C 78 34.557 33.897 0.660 1
1 959 . 10 1 1 A 78 78 GLU N N 78 118.907 119.721 -0.814 1
1 960 . 10 1 1 A 79 79 TYR H H 79 7.636 9.061 -1.425 1
1 961 . 10 1 1 A 79 79 TYR HA H 79 4.995 4.959 0.036 1
1 968 . 10 1 1 A 79 79 TYR C C 79 175.889 176.018 -0.129 1
1 969 . 10 1 1 A 79 79 TYR CA C 79 60.120 58.256 1.864 1
1 970 . 10 1 1 A 79 79 TYR CB C 79 39.789 39.410 0.379 1
1 975 . 10 1 1 A 79 79 TYR N N 79 119.277 120.098 -0.821 1
1 976 . 10 1 1 A 80 80 CYS H H 80 9.398 9.554 -0.156 1
1 977 . 10 1 1 A 80 80 CYS HA H 80 4.720 5.414 -0.694 1
1 980 . 10 1 1 A 80 80 CYS C C 80 172.419 172.165 0.254 1
1 981 . 10 1 1 A 80 80 CYS CA C 80 54.618 54.298 0.320 1
1 982 . 10 1 1 A 80 80 CYS CB C 80 46.736 44.018 2.718 1
1 983 . 10 1 1 A 80 80 CYS N N 80 118.623 120.261 -1.638 1
1 984 . 10 1 1 A 81 81 ASP H H 81 9.729 9.054 0.675 1
1 985 . 10 1 1 A 81 81 ASP HA H 81 4.781 4.716 0.065 1
1 988 . 10 1 1 A 81 81 ASP C C 81 173.576 174.887 -1.311 1
1 989 . 10 1 1 A 81 81 ASP CA C 81 52.855 53.436 -0.581 1
1 990 . 10 1 1 A 81 81 ASP CB C 81 40.733 40.297 0.436 1
1 991 . 10 1 1 A 81 81 ASP N N 81 124.777 126.357 -1.580 1
1 992 . 10 1 1 A 82 82 ILE H H 82 7.820 7.760 0.060 1
1 993 . 10 1 1 A 82 82 ILE HA H 82 4.320 4.552 -0.232 1
1 1003 . 10 1 1 A 82 82 ILE C C 82 173.923 174.021 -0.098 1
1 1004 . 10 1 1 A 82 82 ILE CA C 82 56.118 57.369 -1.251 1
1 1005 . 10 1 1 A 82 82 ILE CB C 82 38.166 40.816 -2.650 1
1 1009 . 10 1 1 A 82 82 ILE N N 82 125.281 125.551 -0.270 1
1 1010 . 10 1 1 A 83 83 PRO HA H 83 4.337 4.529 -0.192 1
1 1017 . 10 1 1 A 83 83 PRO C C 83 175.167 175.987 -0.820 1
1 1018 . 10 1 1 A 83 83 PRO CA C 83 62.844 62.742 0.102 1
1 1019 . 10 1 1 A 83 83 PRO CB C 83 32.450 32.574 -0.124 1
1 1022 . 10 1 1 A 84 84 ARG H H 84 8.656 8.395 0.261 1
1 1023 . 10 1 1 A 84 84 ARG HA H 84 4.658 5.263 -0.605 1
1 1031 . 10 1 1 A 84 84 ARG C C 84 175.137 174.652 0.485 1
1 1032 . 10 1 1 A 84 84 ARG CA C 84 55.617 54.308 1.309 1
1 1033 . 10 1 1 A 84 84 ARG CB C 84 30.482 33.359 -2.877 1
1 1036 . 10 1 1 A 84 84 ARG N N 84 122.316 116.963 5.353 1
1 1038 . 10 1 1 A 85 85 CYS H H 85 8.783 9.090 -0.307 1
1 1039 . 10 1 1 A 85 85 CYS HA H 85 4.479 5.119 -0.640 1
1 1042 . 10 1 1 A 85 85 CYS C C 85 174.906 173.621 1.285 1
1 1043 . 10 1 1 A 85 85 CYS CA C 85 54.177 54.484 -0.307 1
1 1044 . 10 1 1 A 85 85 CYS CB C 85 39.574 45.025 -5.451 1
1 1045 . 10 1 1 A 85 85 CYS N N 85 124.002 120.040 3.962 1
1 1046 . 10 1 1 A 86 86 ALA H H 86 8.746 8.706 0.040 1
1 1047 . 10 1 1 A 86 86 ALA HA H 86 4.255 4.356 -0.101 1
1 1051 . 10 1 1 A 86 86 ALA C C 86 176.236 177.413 -1.177 1
1 1052 . 10 1 1 A 86 86 ALA CA C 86 53.067 54.306 -1.239 1
1 1053 . 10 1 1 A 86 86 ALA CB C 86 19.034 19.366 -0.332 1
1 1054 . 10 1 1 A 86 86 ALA N N 86 126.444 125.328 1.116 1
1 1064 . 10 2 2 B 2 2 SER HA H 100 4.570 5.173 -0.603 1
1 1067 . 10 2 2 B 2 2 SER C C 100 174.779 172.981 1.798 1
1 1068 . 10 2 2 B 2 2 SER CA C 100 58.624 57.565 1.059 1
1 1069 . 10 2 2 B 2 2 SER CB C 100 63.939 65.272 -1.333 1
1 1070 . 10 2 2 B 3 3 VAL H H 101 8.341 8.692 -0.351 1
1 1071 . 10 2 2 B 3 3 VAL HA H 101 4.151 4.562 -0.411 1
1 1079 . 10 2 2 B 3 3 VAL C C 101 176.450 175.636 0.814 1
1 1080 . 10 2 2 B 3 3 VAL CA C 101 62.793 60.644 2.149 1
1 1081 . 10 2 2 B 3 3 VAL CB C 101 32.495 31.428 1.067 1
1 1084 . 10 2 2 B 3 3 VAL N N 101 121.954 121.309 0.645 1
1 1085 . 10 2 2 B 4 4 GLU H H 102 8.521 8.451 0.070 1
1 1086 . 10 2 2 B 4 4 GLU HA H 102 4.291 4.411 -0.120 1
1 1091 . 10 2 2 B 4 4 GLU C C 102 176.450 176.594 -0.144 1
1 1092 . 10 2 2 B 4 4 GLU CA C 102 56.955 58.134 -1.179 1
1 1093 . 10 2 2 B 4 4 GLU CB C 102 30.233 31.297 -1.064 1
1 1095 . 10 2 2 B 4 4 GLU N N 102 124.722 124.747 -0.025 1
1 1096 . 10 2 2 B 5 5 LYS H H 103 8.323 8.104 0.219 1
1 1097 . 10 2 2 B 5 5 LYS HA H 103 4.313 3.950 0.363 1
1 1106 . 10 2 2 B 5 5 LYS C C 103 176.784 176.221 0.563 1
1 1107 . 10 2 2 B 5 5 LYS CA C 103 56.688 57.171 -0.483 1
1 1108 . 10 2 2 B 5 5 LYS CB C 103 30.228 30.064 0.164 1
1 1112 . 10 2 2 B 5 5 LYS N N 103 122.689 118.304 4.385 1
1 1113 . 10 2 2 B 6 6 LEU H H 104 8.369 8.176 0.193 1
1 1114 . 10 2 2 B 6 6 LEU HA H 104 4.500 4.312 0.188 1
1 1124 . 10 2 2 B 6 6 LEU C C 104 177.632 176.776 0.856 1
1 1125 . 10 2 2 B 6 6 LEU CA C 104 55.480 55.650 -0.170 1
1 1126 . 10 2 2 B 6 6 LEU CB C 104 42.587 43.067 -0.480 1
1 1130 . 10 2 2 B 6 6 LEU N N 104 123.373 118.183 5.190 1
1 1131 . 10 2 2 B 7 7 THR HA H 105 4.558 4.294 0.264 1
1 1137 . 10 2 2 B 7 7 THR C C 105 175.614 175.453 0.161 1
1 1138 . 10 2 2 B 7 7 THR CA C 105 62.000 60.904 1.096 1
1 1139 . 10 2 2 B 7 7 THR CB C 105 70.090 70.758 -0.668 1
1 1141 . 10 2 2 B 8 8 ALA H H 106 8.649 8.976 -0.327 1
1 1142 . 10 2 2 B 8 8 ALA HA H 106 4.458 4.056 0.402 1
1 1146 . 10 2 2 B 8 8 ALA C C 106 179.290 179.550 -0.260 1
1 1147 . 10 2 2 B 8 8 ALA CA C 106 55.552 55.687 -0.135 1
1 1148 . 10 2 2 B 8 8 ALA CB C 106 18.704 18.261 0.443 1
1 1149 . 10 2 2 B 8 8 ALA N N 106 124.857 124.367 0.490 1
1 1150 . 10 2 2 B 9 9 ASP H H 107 8.286 8.237 0.049 1
1 1151 . 10 2 2 B 9 9 ASP HA H 107 4.457 4.427 0.030 1
1 1154 . 10 2 2 B 9 9 ASP C C 107 178.845 178.060 0.785 1
1 1155 . 10 2 2 B 9 9 ASP CA C 107 57.733 56.400 1.333 1
1 1156 . 10 2 2 B 9 9 ASP CB C 107 40.881 40.523 0.358 1
1 1157 . 10 2 2 B 9 9 ASP N N 107 115.621 118.011 -2.390 1
1 1158 . 10 2 2 B 10 10 ALA H H 108 7.887 7.875 0.012 1
1 1159 . 10 2 2 B 10 10 ALA HA H 108 4.182 4.165 0.017 1
1 1163 . 10 2 2 B 10 10 ALA C C 108 180.906 179.403 1.503 1
1 1164 . 10 2 2 B 10 10 ALA CA C 108 55.014 54.802 0.212 1
1 1165 . 10 2 2 B 10 10 ALA CB C 108 18.631 18.408 0.223 1
1 1166 . 10 2 2 B 10 10 ALA N N 108 122.756 122.215 0.541 1
1 1167 . 10 2 2 B 11 11 GLU H H 109 8.390 8.261 0.129 1
1 1168 . 10 2 2 B 11 11 GLU HA H 109 4.256 4.110 0.146 1
1 1173 . 10 2 2 B 11 11 GLU C C 109 178.678 179.039 -0.361 1
1 1174 . 10 2 2 B 11 11 GLU CA C 109 59.105 58.722 0.383 1
1 1175 . 10 2 2 B 11 11 GLU CB C 109 29.559 29.453 0.106 1
1 1177 . 10 2 2 B 11 11 GLU N N 109 121.999 118.928 3.071 1
1 1178 . 10 2 2 B 12 12 LEU H H 110 8.395 8.852 -0.457 1
1 1179 . 10 2 2 B 12 12 LEU HA H 110 3.808 3.980 -0.172 1
1 1189 . 10 2 2 B 12 12 LEU C C 110 178.288 179.092 -0.804 1
1 1190 . 10 2 2 B 12 12 LEU CA C 110 58.407 58.030 0.377 1
1 1191 . 10 2 2 B 12 12 LEU CB C 110 41.329 41.668 -0.339 1
1 1195 . 10 2 2 B 12 12 LEU N N 110 119.939 120.098 -0.159 1
1 1196 . 10 2 2 B 13 13 GLN H H 111 7.761 8.254 -0.493 1
1 1197 . 10 2 2 B 13 13 GLN HA H 111 4.008 3.951 0.057 1
1 1202 . 10 2 2 B 13 13 GLN C C 111 177.954 178.479 -0.525 1
1 1203 . 10 2 2 B 13 13 GLN CA C 111 58.674 59.386 -0.712 1
1 1204 . 10 2 2 B 13 13 GLN CB C 111 28.513 28.291 0.222 1
1 1206 . 10 2 2 B 13 13 GLN N N 111 117.305 118.877 -1.572 1
1 1207 . 10 2 2 B 14 14 ARG H H 112 7.752 7.806 -0.054 1
1 1208 . 10 2 2 B 14 14 ARG HA H 112 4.053 4.180 -0.127 1
1 1216 . 10 2 2 B 14 14 ARG C C 112 179.625 178.977 0.648 1
1 1217 . 10 2 2 B 14 14 ARG CA C 112 59.770 59.601 0.169 1
1 1218 . 10 2 2 B 14 14 ARG CB C 112 29.884 30.087 -0.203 1
1 1221 . 10 2 2 B 14 14 ARG N N 112 121.241 120.356 0.885 1
1 1223 . 10 2 2 B 15 15 LEU H H 113 8.478 8.449 0.029 1
1 1224 . 10 2 2 B 15 15 LEU HA H 113 3.974 3.927 0.047 1
1 1234 . 10 2 2 B 15 15 LEU C C 113 180.627 179.052 1.575 1
1 1235 . 10 2 2 B 15 15 LEU CA C 113 58.251 57.988 0.263 1
1 1236 . 10 2 2 B 15 15 LEU CB C 113 41.751 41.515 0.236 1
1 1240 . 10 2 2 B 15 15 LEU N N 113 120.898 119.624 1.274 1
1 1241 . 10 2 2 B 16 16 LYS H H 114 8.437 8.305 0.132 1
1 1242 . 10 2 2 B 16 16 LYS HA H 114 3.368 3.750 -0.382 1
1 1251 . 10 2 2 B 16 16 LYS C C 114 178.288 178.934 -0.646 1
1 1252 . 10 2 2 B 16 16 LYS CA C 114 60.242 59.780 0.462 1
1 1253 . 10 2 2 B 16 16 LYS CB C 114 30.249 32.084 -1.835 1
1 1257 . 10 2 2 B 16 16 LYS N N 114 123.214 120.093 3.121 1
1 1258 . 10 2 2 B 17 17 ASN H H 115 8.137 8.703 -0.566 1
1 1259 . 10 2 2 B 17 17 ASN HA H 115 4.270 4.549 -0.279 1
1 1264 . 10 2 2 B 17 17 ASN C C 115 178.288 177.731 0.557 1
1 1265 . 10 2 2 B 17 17 ASN CA C 115 56.318 56.486 -0.168 1
1 1266 . 10 2 2 B 17 17 ASN CB C 115 37.573 37.781 -0.208 1
1 1267 . 10 2 2 B 17 17 ASN N N 115 117.923 118.091 -0.168 1
1 1269 . 10 2 2 B 18 18 GLU H H 116 8.110 8.830 -0.720 1
1 1270 . 10 2 2 B 18 18 GLU HA H 116 4.146 3.978 0.168 1
1 1275 . 10 2 2 B 18 18 GLU C C 116 178.956 178.922 0.034 1
1 1276 . 10 2 2 B 18 18 GLU CA C 116 59.659 59.601 0.058 1
1 1277 . 10 2 2 B 18 18 GLU CB C 116 29.950 29.155 0.795 1
1 1279 . 10 2 2 B 18 18 GLU N N 116 120.249 119.995 0.254 1
1 1280 . 10 2 2 B 19 19 ARG H H 117 7.925 8.279 -0.354 1
1 1281 . 10 2 2 B 19 19 ARG HA H 117 4.057 4.054 0.003 1
1 1289 . 10 2 2 B 19 19 ARG C C 117 180.070 179.132 0.938 1
1 1290 . 10 2 2 B 19 19 ARG CA C 117 59.564 59.319 0.245 1
1 1291 . 10 2 2 B 19 19 ARG CB C 117 29.879 29.835 0.044 1
1 1294 . 10 2 2 B 19 19 ARG N N 117 119.801 118.419 1.382 1
1 1296 . 10 2 2 B 20 20 HIS H H 118 8.316 7.690 0.626 1
1 1297 . 10 2 2 B 20 20 HIS HA H 118 4.574 4.332 0.242 1
1 1304 . 10 2 2 B 20 20 HIS C C 118 176.784 177.899 -1.115 1
1 1305 . 10 2 2 B 20 20 HIS CA C 118 58.397 59.339 -0.942 1
1 1306 . 10 2 2 B 20 20 HIS CB C 118 29.343 30.233 -0.890 1
1 1309 . 10 2 2 B 20 20 HIS N N 118 117.802 118.917 -1.115 1
1 1310 . 10 2 2 B 21 21 GLU H H 119 8.400 8.738 -0.338 1
1 1311 . 10 2 2 B 21 21 GLU HA H 119 4.268 3.803 0.465 1
1 1316 . 10 2 2 B 21 21 GLU C C 119 178.566 179.314 -0.748 1
1 1317 . 10 2 2 B 21 21 GLU CA C 119 59.105 59.952 -0.847 1
1 1318 . 10 2 2 B 21 21 GLU CB C 119 29.559 29.457 0.102 1
1 1320 . 10 2 2 B 21 21 GLU N N 119 121.996 119.313 2.683 1
1 1321 . 10 2 2 B 22 22 GLU H H 120 8.285 8.776 -0.491 1
1 1322 . 10 2 2 B 22 22 GLU HA H 120 4.204 4.105 0.099 1
1 1327 . 10 2 2 B 22 22 GLU C C 120 178.288 179.043 -0.755 1
1 1328 . 10 2 2 B 22 22 GLU CA C 120 58.841 58.974 -0.133 1
1 1329 . 10 2 2 B 22 22 GLU CB C 120 29.322 29.241 0.081 1
1 1331 . 10 2 2 B 22 22 GLU N N 120 119.798 120.503 -0.705 1
1 1332 . 10 2 2 B 23 23 ALA H H 121 8.037 8.510 -0.473 1
1 1333 . 10 2 2 B 23 23 ALA HA H 121 4.270 4.090 0.180 1
1 1337 . 10 2 2 B 23 23 ALA C C 121 179.569 179.751 -0.182 1
1 1338 . 10 2 2 B 23 23 ALA CA C 121 54.158 55.227 -1.069 1
1 1339 . 10 2 2 B 23 23 ALA CB C 121 18.923 18.410 0.513 1
1 1340 . 10 2 2 B 23 23 ALA N N 121 122.418 122.275 0.143 1
1 1341 . 10 2 2 B 24 24 GLU H H 122 8.039 8.237 -0.198 1
1 1342 . 10 2 2 B 24 24 GLU HA H 122 4.291 3.989 0.302 1
1 1347 . 10 2 2 B 24 24 GLU C C 122 177.954 179.897 -1.943 1
1 1348 . 10 2 2 B 24 24 GLU CA C 122 58.023 59.112 -1.089 1
1 1349 . 10 2 2 B 24 24 GLU CB C 122 29.566 29.598 -0.032 1
1 1351 . 10 2 2 B 24 24 GLU N N 122 119.517 118.301 1.216 1
1 1352 . 10 2 2 B 25 25 LEU H H 123 7.962 8.782 -0.820 1
1 1353 . 10 2 2 B 25 25 LEU HA H 123 4.226 4.052 0.174 1
1 1363 . 10 2 2 B 25 25 LEU C C 123 179.123 178.965 0.158 1
1 1364 . 10 2 2 B 25 25 LEU CA C 123 57.213 57.974 -0.761 1
1 1365 . 10 2 2 B 25 25 LEU CB C 123 41.809 41.107 0.702 1
1 1369 . 10 2 2 B 25 25 LEU N N 123 120.617 120.051 0.566 1
1 1370 . 10 2 2 B 26 26 GLU H H 124 8.093 8.749 -0.656 1
1 1371 . 10 2 2 B 26 26 GLU HA H 124 4.140 3.997 0.143 1
1 1376 . 10 2 2 B 26 26 GLU C C 124 177.954 178.781 -0.827 1
1 1377 . 10 2 2 B 26 26 GLU CA C 124 58.095 59.387 -1.292 1
1 1378 . 10 2 2 B 26 26 GLU CB C 124 29.910 29.078 0.832 1
1 1380 . 10 2 2 B 26 26 GLU N N 124 119.473 120.858 -1.385 1
1 1381 . 10 2 2 B 27 27 ARG H H 125 7.954 7.985 -0.031 1
1 1382 . 10 2 2 B 27 27 ARG HA H 125 4.210 4.270 -0.060 1
1 1390 . 10 2 2 B 27 27 ARG C C 125 177.619 178.523 -0.904 1
1 1391 . 10 2 2 B 27 27 ARG CA C 125 57.677 58.718 -1.041 1
1 1392 . 10 2 2 B 27 27 ARG CB C 125 30.374 29.943 0.431 1
1 1395 . 10 2 2 B 27 27 ARG N N 125 120.670 120.557 0.113 1
1 1397 . 10 2 2 B 28 28 LEU H H 126 8.038 8.429 -0.391 1
1 1398 . 10 2 2 B 28 28 LEU HA H 126 4.270 4.122 0.148 1
1 1408 . 10 2 2 B 28 28 LEU C C 126 178.065 178.294 -0.229 1
1 1409 . 10 2 2 B 28 28 LEU CA C 126 56.096 57.620 -1.524 1
1 1410 . 10 2 2 B 28 28 LEU CB C 126 42.252 41.714 0.538 1
1 1414 . 10 2 2 B 28 28 LEU N N 126 120.818 121.132 -0.314 1
1 1415 . 10 2 2 B 29 29 LYS H H 127 7.944 8.157 -0.213 1
1 1416 . 10 2 2 B 29 29 LYS HA H 127 4.270 3.948 0.322 1
1 1425 . 10 2 2 B 29 29 LYS C C 127 176.951 176.955 -0.004 1
1 1426 . 10 2 2 B 29 29 LYS CA C 127 57.168 59.254 -2.086 1
1 1427 . 10 2 2 B 29 29 LYS CB C 127 32.755 32.535 0.220 1
1 1431 . 10 2 2 B 29 29 LYS N N 127 119.960 119.861 0.099 1
1 1432 . 10 2 2 B 30 30 SER H H 128 8.030 7.986 0.044 1
1 1433 . 10 2 2 B 30 30 SER HA H 128 4.466 4.691 -0.225 1
1 1436 . 10 2 2 B 30 30 SER C C 128 176.101 174.068 2.033 1
1 1437 . 10 2 2 B 30 30 SER CA C 128 58.590 57.836 0.754 1
1 1438 . 10 2 2 B 30 30 SER CB C 128 63.939 65.359 -1.420 1
1 1439 . 10 2 2 B 30 30 SER N N 128 115.496 114.564 0.932 1
1 1440 . 10 2 2 B 31 31 GLU H H 129 8.157 8.677 -0.520 1
1 1441 . 10 2 2 B 31 31 GLU HA H 129 4.291 4.756 -0.465 1
1 1446 . 10 2 2 B 31 31 GLU C C 129 175.112 174.799 0.313 1
1 1447 . 10 2 2 B 31 31 GLU CA C 129 56.654 55.573 1.081 1
1 1448 . 10 2 2 B 31 31 GLU CB C 129 30.389 31.395 -1.006 1
1 1450 . 10 2 2 B 31 31 GLU N N 129 122.569 121.298 1.271 1
1 1 . 11 1 1 A 2 2 VAL H H 2 7.944 8.500 -0.556 1
1 2 . 11 1 1 A 2 2 VAL HA H 2 4.035 4.162 -0.127 1
1 10 . 11 1 1 A 2 2 VAL C C 2 174.807 174.824 -0.017 1
1 11 . 11 1 1 A 2 2 VAL CA C 2 61.947 60.264 1.683 1
1 12 . 11 1 1 A 2 2 VAL CB C 2 33.175 34.539 -1.364 1
1 15 . 11 1 1 A 2 2 VAL N N 2 123.960 127.041 -3.081 1
1 16 . 11 1 1 A 3 3 GLU H H 3 8.465 8.722 -0.257 1
1 17 . 11 1 1 A 3 3 GLU HA H 3 4.168 4.077 0.091 1
1 22 . 11 1 1 A 3 3 GLU C C 3 175.888 176.164 -0.276 1
1 23 . 11 1 1 A 3 3 GLU CA C 3 56.487 58.626 -2.139 1
1 24 . 11 1 1 A 3 3 GLU CB C 3 30.349 28.457 1.892 1
1 26 . 11 1 1 A 3 3 GLU N N 3 125.549 128.039 -2.490 1
1 27 . 11 1 1 A 4 4 PHE H H 4 8.330 8.863 -0.533 1
1 28 . 11 1 1 A 4 4 PHE HA H 4 4.651 4.532 0.119 1
1 36 . 11 1 1 A 4 4 PHE C C 4 175.550 175.686 -0.136 1
1 37 . 11 1 1 A 4 4 PHE CA C 4 57.827 59.491 -1.664 1
1 38 . 11 1 1 A 4 4 PHE CB C 4 39.623 40.501 -0.878 1
1 44 . 11 1 1 A 4 4 PHE N N 4 121.869 123.198 -1.329 1
1 45 . 11 1 1 A 5 5 SER H H 5 8.177 8.234 -0.057 1
1 46 . 11 1 1 A 5 5 SER HA H 5 4.395 4.383 0.012 1
1 49 . 11 1 1 A 5 5 SER C C 5 173.996 172.896 1.100 1
1 50 . 11 1 1 A 5 5 SER CA C 5 58.045 60.109 -2.064 1
1 51 . 11 1 1 A 5 5 SER CB C 5 64.050 61.422 2.628 1
1 52 . 11 1 1 A 5 5 SER N N 5 117.865 115.206 2.659 1
1 53 . 11 1 1 A 6 6 GLU H H 6 8.425 8.209 0.216 1
1 54 . 11 1 1 A 6 6 GLU HA H 6 4.290 4.511 -0.221 1
1 59 . 11 1 1 A 6 6 GLU C C 6 176.699 175.550 1.149 1
1 60 . 11 1 1 A 6 6 GLU CA C 6 56.479 54.855 1.624 1
1 61 . 11 1 1 A 6 6 GLU CB C 6 30.715 29.987 0.728 1
1 63 . 11 1 1 A 6 6 GLU N N 6 122.791 119.383 3.408 1
1 64 . 11 1 1 A 7 7 GLU H H 7 8.421 9.051 -0.630 1
1 65 . 11 1 1 A 7 7 GLU HA H 7 4.742 4.314 0.428 1
1 70 . 11 1 1 A 7 7 GLU C C 7 175.145 176.349 -1.204 1
1 71 . 11 1 1 A 7 7 GLU CA C 7 55.617 58.775 -3.158 1
1 72 . 11 1 1 A 7 7 GLU CB C 7 29.095 30.083 -0.988 1
1 74 . 11 1 1 A 7 7 GLU N N 7 122.775 126.391 -3.616 1
1 75 . 11 1 1 A 8 8 CYS H H 8 7.917 7.696 0.221 1
1 76 . 11 1 1 A 8 8 CYS HA H 8 4.969 5.067 -0.098 1
1 79 . 11 1 1 A 8 8 CYS C C 8 171.610 171.561 0.049 1
1 80 . 11 1 1 A 8 8 CYS CA C 8 53.880 54.706 -0.826 1
1 81 . 11 1 1 A 8 8 CYS CB C 8 43.144 45.558 -2.414 1
1 82 . 11 1 1 A 8 8 CYS N N 8 115.067 112.696 2.371 1
1 83 . 11 1 1 A 9 9 MET H H 9 9.379 9.083 0.296 1
1 84 . 11 1 1 A 9 9 MET HA H 9 5.049 4.809 0.240 1
1 89 . 11 1 1 A 9 9 MET C C 9 174.038 175.405 -1.367 1
1 90 . 11 1 1 A 9 9 MET CA C 9 53.312 54.096 -0.784 1
1 91 . 11 1 1 A 9 9 MET CB C 9 36.165 36.954 -0.789 1
1 93 . 11 1 1 A 9 9 MET N N 9 117.763 121.481 -3.718 1
1 94 . 11 1 1 A 10 10 HIS H H 10 9.610 8.148 1.462 1
1 95 . 11 1 1 A 10 10 HIS HA H 10 4.877 4.932 -0.055 1
1 102 . 11 1 1 A 10 10 HIS C C 10 176.698 176.726 -0.028 1
1 103 . 11 1 1 A 10 10 HIS CA C 10 55.016 55.894 -0.878 1
1 104 . 11 1 1 A 10 10 HIS CB C 10 31.116 30.592 0.524 1
1 107 . 11 1 1 A 10 10 HIS N N 10 124.293 119.216 5.077 1
1 108 . 11 1 1 A 11 11 GLY H H 11 9.249 8.964 0.285 1
1 109 . 11 1 1 A 11 11 GLY HA2 H 11 4.104 3.759 0.345 1
1 110 . 11 1 1 A 11 11 GLY HA3 H 11 3.843 3.769 0.074 1
1 111 . 11 1 1 A 11 11 GLY C C 11 174.559 175.797 -1.238 1
1 112 . 11 1 1 A 11 11 GLY CA C 11 47.652 46.976 0.676 1
1 113 . 11 1 1 A 11 11 GLY N N 11 115.224 109.326 5.898 1
1 114 . 11 1 1 A 12 12 SER H H 12 8.999 7.730 1.269 1
1 115 . 11 1 1 A 12 12 SER HA H 12 4.653 4.404 0.249 1
1 118 . 11 1 1 A 12 12 SER C C 12 176.178 175.146 1.032 1
1 119 . 11 1 1 A 12 12 SER CA C 12 57.731 61.071 -3.340 1
1 120 . 11 1 1 A 12 12 SER CB C 12 63.439 63.456 -0.017 1
1 121 . 11 1 1 A 12 12 SER N N 12 121.965 117.391 4.574 1
1 122 . 11 1 1 A 13 13 GLY H H 13 9.022 7.763 1.259 1
1 123 . 11 1 1 A 13 13 GLY HA2 H 13 4.052 3.980 0.072 1
1 124 . 11 1 1 A 13 13 GLY HA3 H 13 3.957 4.070 -0.113 1
1 125 . 11 1 1 A 13 13 GLY C C 13 176.178 175.070 1.108 1
1 126 . 11 1 1 A 13 13 GLY CA C 13 47.972 45.989 1.983 1
1 127 . 11 1 1 A 13 13 GLY N N 13 109.294 109.657 -0.363 1
1 128 . 11 1 1 A 14 14 GLU H H 14 9.552 8.509 1.043 1
1 129 . 11 1 1 A 14 14 GLU HA H 14 4.347 4.210 0.137 1
1 134 . 11 1 1 A 14 14 GLU C C 14 177.045 177.689 -0.644 1
1 135 . 11 1 1 A 14 14 GLU CA C 14 60.282 59.256 1.026 1
1 136 . 11 1 1 A 14 14 GLU CB C 14 29.145 29.358 -0.213 1
1 138 . 11 1 1 A 14 14 GLU N N 14 123.736 119.854 3.882 1
1 139 . 11 1 1 A 15 15 ASN H H 15 8.425 7.796 0.629 1
1 140 . 11 1 1 A 15 15 ASN HA H 15 5.030 4.847 0.183 1
1 144 . 11 1 1 A 15 15 ASN C C 15 174.848 174.874 -0.026 1
1 145 . 11 1 1 A 15 15 ASN CA C 15 51.725 52.758 -1.033 1
1 146 . 11 1 1 A 15 15 ASN CB C 15 38.404 38.926 -0.522 1
1 147 . 11 1 1 A 15 15 ASN N N 15 112.918 117.095 -4.177 1
1 150 . 11 1 1 A 16 16 TYR H H 16 7.622 7.669 -0.047 1
1 151 . 11 1 1 A 16 16 TYR HA H 16 4.445 4.951 -0.506 1
1 159 . 11 1 1 A 16 16 TYR C C 16 175.773 174.242 1.531 1
1 160 . 11 1 1 A 16 16 TYR CA C 16 60.125 56.871 3.254 1
1 161 . 11 1 1 A 16 16 TYR CB C 16 38.590 40.290 -1.700 1
1 166 . 11 1 1 A 16 16 TYR N N 16 121.437 121.874 -0.437 1
1 167 . 11 1 1 A 17 17 ASP H H 17 8.722 8.499 0.223 1
1 168 . 11 1 1 A 17 17 ASP HA H 17 4.599 4.724 -0.125 1
1 171 . 11 1 1 A 17 17 ASP C C 17 175.748 174.000 1.748 1
1 172 . 11 1 1 A 17 17 ASP CA C 17 52.327 52.469 -0.142 1
1 173 . 11 1 1 A 17 17 ASP CB C 17 42.265 40.858 1.407 1
1 174 . 11 1 1 A 17 17 ASP N N 17 130.345 128.687 1.658 1
1 175 . 11 1 1 A 18 18 GLY H H 18 4.504 7.355 -2.851 1
1 176 . 11 1 1 A 18 18 GLY HA2 H 18 4.092 3.720 0.372 1
1 177 . 11 1 1 A 18 18 GLY HA3 H 18 3.786 3.876 -0.090 1
1 178 . 11 1 1 A 18 18 GLY C C 18 174.732 173.699 1.033 1
1 179 . 11 1 1 A 18 18 GLY CA C 18 44.739 43.878 0.861 1
1 180 . 11 1 1 A 18 18 GLY N N 18 104.445 111.817 -7.372 1
1 181 . 11 1 1 A 19 19 LYS H H 19 9.272 7.794 1.478 1
1 182 . 11 1 1 A 19 19 LYS HA H 19 3.248 3.224 0.024 1
1 191 . 11 1 1 A 19 19 LYS C C 19 176.409 176.248 0.161 1
1 192 . 11 1 1 A 19 19 LYS CA C 19 55.454 54.719 0.735 1
1 193 . 11 1 1 A 19 19 LYS CB C 19 32.499 31.448 1.051 1
1 197 . 11 1 1 A 19 19 LYS N N 19 117.569 115.532 2.037 1
1 198 . 11 1 1 A 20 20 ILE H H 20 7.559 7.326 0.233 1
1 199 . 11 1 1 A 20 20 ILE HA H 20 3.991 4.123 -0.132 1
1 209 . 11 1 1 A 20 20 ILE C C 20 176.756 175.910 0.846 1
1 210 . 11 1 1 A 20 20 ILE CA C 20 64.261 62.394 1.867 1
1 211 . 11 1 1 A 20 20 ILE CB C 20 36.212 38.300 -2.088 1
1 215 . 11 1 1 A 20 20 ILE N N 20 122.778 122.644 0.134 1
1 216 . 11 1 1 A 21 21 SER H H 21 8.817 8.906 -0.089 1
1 217 . 11 1 1 A 21 21 SER HA H 21 5.128 5.155 -0.027 1
1 220 . 11 1 1 A 21 21 SER C C 21 172.708 173.967 -1.259 1
1 221 . 11 1 1 A 21 21 SER CA C 21 57.513 57.328 0.185 1
1 222 . 11 1 1 A 21 21 SER CB C 21 65.126 64.412 0.714 1
1 223 . 11 1 1 A 21 21 SER N N 21 122.859 121.854 1.005 1
1 224 . 11 1 1 A 22 22 LYS H H 22 7.150 7.673 -0.523 1
1 225 . 11 1 1 A 22 22 LYS HA H 22 5.530 5.350 0.180 1
1 234 . 11 1 1 A 22 22 LYS C C 22 176.120 176.329 -0.209 1
1 235 . 11 1 1 A 22 22 LYS CA C 22 53.471 54.702 -1.231 1
1 236 . 11 1 1 A 22 22 LYS CB C 22 37.049 35.989 1.060 1
1 240 . 11 1 1 A 22 22 LYS N N 22 119.681 121.057 -1.376 1
1 241 . 11 1 1 A 23 23 THR H H 23 9.134 8.975 0.159 1
1 242 . 11 1 1 A 23 23 THR HA H 23 4.630 4.759 -0.129 1
1 248 . 11 1 1 A 23 23 THR C C 23 177.971 176.267 1.704 1
1 249 . 11 1 1 A 23 23 THR CA C 23 61.032 60.806 0.226 1
1 250 . 11 1 1 A 23 23 THR CB C 23 70.818 71.568 -0.750 1
1 252 . 11 1 1 A 23 23 THR N N 23 111.072 114.193 -3.121 1
1 253 . 11 1 1 A 24 24 MET H H 24 9.383 9.270 0.113 1
1 254 . 11 1 1 A 24 24 MET HA H 24 4.168 4.209 -0.041 1
1 259 . 11 1 1 A 24 24 MET C C 24 176.122 176.725 -0.603 1
1 260 . 11 1 1 A 24 24 MET CA C 24 58.704 57.653 1.051 1
1 261 . 11 1 1 A 24 24 MET CB C 24 32.546 32.484 0.062 1
1 263 . 11 1 1 A 24 24 MET N N 24 118.120 119.931 -1.811 1
1 264 . 11 1 1 A 25 25 SER H H 25 7.763 7.915 -0.152 1
1 265 . 11 1 1 A 25 25 SER HA H 25 4.575 4.456 0.119 1
1 269 . 11 1 1 A 25 25 SER C C 25 174.848 175.817 -0.969 1
1 270 . 11 1 1 A 25 25 SER CA C 25 58.895 59.442 -0.547 1
1 271 . 11 1 1 A 25 25 SER CB C 25 62.844 64.777 -1.933 1
1 272 . 11 1 1 A 25 25 SER N N 25 113.626 110.871 2.755 1
1 273 . 11 1 1 A 26 26 GLY H H 26 8.136 8.117 0.019 1
1 274 . 11 1 1 A 26 26 GLY HA2 H 26 4.305 3.922 0.383 1
1 275 . 11 1 1 A 26 26 GLY HA3 H 26 3.503 3.923 -0.420 1
1 276 . 11 1 1 A 26 26 GLY C C 26 174.212 174.691 -0.479 1
1 277 . 11 1 1 A 26 26 GLY CA C 26 45.125 45.740 -0.615 1
1 278 . 11 1 1 A 26 26 GLY N N 26 110.819 111.793 -0.974 1
1 279 . 11 1 1 A 27 27 LEU H H 27 7.183 8.075 -0.892 1
1 280 . 11 1 1 A 27 27 LEU HA H 27 4.319 4.481 -0.162 1
1 290 . 11 1 1 A 27 27 LEU C C 27 176.178 176.657 -0.479 1
1 291 . 11 1 1 A 27 27 LEU CA C 27 54.211 54.512 -0.301 1
1 292 . 11 1 1 A 27 27 LEU CB C 27 42.260 42.545 -0.285 1
1 296 . 11 1 1 A 27 27 LEU N N 27 120.765 122.423 -1.658 1
1 297 . 11 1 1 A 28 28 GLU H H 28 8.699 8.582 0.117 1
1 298 . 11 1 1 A 28 28 GLU HA H 28 4.506 4.398 0.108 1
1 303 . 11 1 1 A 28 28 GLU C C 28 177.161 176.559 0.602 1
1 304 . 11 1 1 A 28 28 GLU CA C 28 56.451 56.476 -0.025 1
1 305 . 11 1 1 A 28 28 GLU CB C 28 30.018 30.206 -0.188 1
1 307 . 11 1 1 A 28 28 GLU N N 28 122.582 120.849 1.733 1
1 308 . 11 1 1 A 29 29 CYS H H 29 8.624 9.031 -0.407 1
1 309 . 11 1 1 A 29 29 CYS HA H 29 4.812 5.019 -0.207 1
1 312 . 11 1 1 A 29 29 CYS C C 29 177.045 173.118 3.927 1
1 313 . 11 1 1 A 29 29 CYS CA C 29 55.189 56.169 -0.980 1
1 314 . 11 1 1 A 29 29 CYS CB C 29 37.938 42.980 -5.042 1
1 315 . 11 1 1 A 29 29 CYS N N 29 125.564 124.597 0.967 1
1 316 . 11 1 1 A 30 30 GLN H H 30 9.664 8.920 0.744 1
1 317 . 11 1 1 A 30 30 GLN HA H 30 3.841 4.415 -0.574 1
1 324 . 11 1 1 A 30 30 GLN C C 30 175.310 175.876 -0.566 1
1 325 . 11 1 1 A 30 30 GLN CA C 30 55.501 55.025 0.476 1
1 326 . 11 1 1 A 30 30 GLN CB C 30 29.943 29.954 -0.011 1
1 328 . 11 1 1 A 30 30 GLN N N 30 127.687 125.132 2.555 1
1 330 . 11 1 1 A 31 31 ALA H H 31 8.728 8.688 0.040 1
1 331 . 11 1 1 A 31 31 ALA HA H 31 4.052 4.501 -0.449 1
1 335 . 11 1 1 A 31 31 ALA C C 31 178.722 178.541 0.181 1
1 336 . 11 1 1 A 31 31 ALA CA C 31 52.327 52.830 -0.503 1
1 337 . 11 1 1 A 31 31 ALA CB C 31 18.034 19.674 -1.640 1
1 338 . 11 1 1 A 31 31 ALA N N 31 128.680 128.653 0.027 1
1 339 . 11 1 1 A 32 32 TRP H H 32 7.703 8.739 -1.036 1
1 340 . 11 1 1 A 32 32 TRP HA H 32 4.244 4.472 -0.228 1
1 349 . 11 1 1 A 32 32 TRP C C 32 177.566 177.551 0.015 1
1 350 . 11 1 1 A 32 32 TRP CA C 32 59.531 59.716 -0.185 1
1 351 . 11 1 1 A 32 32 TRP CB C 32 29.953 29.303 0.650 1
1 357 . 11 1 1 A 32 32 TRP N N 32 123.505 124.445 -0.940 1
1 359 . 11 1 1 A 33 33 ASP H H 33 8.797 8.467 0.330 1
1 360 . 11 1 1 A 33 33 ASP HA H 33 4.634 4.723 -0.089 1
1 363 . 11 1 1 A 33 33 ASP C C 33 175.831 175.308 0.523 1
1 364 . 11 1 1 A 33 33 ASP CA C 33 54.398 54.205 0.193 1
1 365 . 11 1 1 A 33 33 ASP CB C 33 40.707 39.909 0.798 1
1 366 . 11 1 1 A 33 33 ASP N N 33 113.424 116.389 -2.965 1
1 367 . 11 1 1 A 34 34 SER H H 34 8.039 8.077 -0.038 1
1 368 . 11 1 1 A 34 34 SER HA H 34 4.737 4.808 -0.071 1
1 372 . 11 1 1 A 34 34 SER C C 34 174.096 174.181 -0.085 1
1 373 . 11 1 1 A 34 34 SER CA C 34 56.454 56.323 0.131 1
1 374 . 11 1 1 A 34 34 SER CB C 34 65.137 64.640 0.497 1
1 375 . 11 1 1 A 34 34 SER N N 34 114.429 114.914 -0.485 1
1 376 . 11 1 1 A 35 35 GLN H H 35 8.387 8.893 -0.506 1
1 377 . 11 1 1 A 35 35 GLN HA H 35 4.426 4.531 -0.105 1
1 384 . 11 1 1 A 35 35 GLN C C 35 173.518 175.135 -1.617 1
1 385 . 11 1 1 A 35 35 GLN CA C 35 54.020 55.592 -1.572 1
1 386 . 11 1 1 A 35 35 GLN CB C 35 28.804 29.148 -0.344 1
1 388 . 11 1 1 A 35 35 GLN N N 35 123.700 126.394 -2.694 1
1 390 . 11 1 1 A 36 36 SER H H 36 7.746 7.230 0.516 1
1 391 . 11 1 1 A 36 36 SER HA H 36 4.466 4.827 -0.361 1
1 395 . 11 1 1 A 36 36 SER C C 36 172.824 174.066 -1.242 1
1 396 . 11 1 1 A 36 36 SER CA C 36 54.749 54.377 0.372 1
1 397 . 11 1 1 A 36 36 SER CB C 36 65.162 65.142 0.020 1
1 398 . 11 1 1 A 36 36 SER N N 36 112.974 117.154 -4.180 1
1 399 . 11 1 1 A 37 37 PRO HA H 37 4.382 4.538 -0.156 1
1 406 . 11 1 1 A 37 37 PRO C C 37 176.351 176.107 0.244 1
1 407 . 11 1 1 A 37 37 PRO CA C 37 64.110 63.856 0.254 1
1 408 . 11 1 1 A 37 37 PRO CB C 37 33.670 31.770 1.900 1
1 411 . 11 1 1 A 38 38 HIS H H 38 8.764 7.529 1.235 1
1 412 . 11 1 1 A 38 38 HIS HA H 38 4.897 4.784 0.113 1
1 417 . 11 1 1 A 38 38 HIS C C 38 178.144 175.217 2.927 1
1 418 . 11 1 1 A 38 38 HIS CA C 38 55.580 55.529 0.051 1
1 419 . 11 1 1 A 38 38 HIS CB C 38 30.421 30.872 -0.451 1
1 422 . 11 1 1 A 38 38 HIS N N 38 122.516 117.456 5.060 1
1 423 . 11 1 1 A 39 39 ALA H H 39 8.673 8.570 0.103 1
1 424 . 11 1 1 A 39 39 ALA HA H 39 4.493 4.516 -0.023 1
1 428 . 11 1 1 A 39 39 ALA C C 39 178.375 177.093 1.282 1
1 429 . 11 1 1 A 39 39 ALA CA C 39 51.440 52.366 -0.926 1
1 430 . 11 1 1 A 39 39 ALA CB C 39 18.980 19.616 -0.636 1
1 431 . 11 1 1 A 39 39 ALA N N 39 128.546 126.036 2.510 1
1 432 . 11 1 1 A 40 40 HIS H H 40 9.291 8.668 0.623 1
1 433 . 11 1 1 A 40 40 HIS HA H 40 4.734 5.311 -0.577 1
1 439 . 11 1 1 A 40 40 HIS C C 40 175.484 174.376 1.108 1
1 440 . 11 1 1 A 40 40 HIS CA C 40 56.141 54.078 2.063 1
1 441 . 11 1 1 A 40 40 HIS CB C 40 35.545 31.500 4.045 1
1 444 . 11 1 1 A 40 40 HIS N N 40 120.682 115.959 4.723 1
1 445 . 11 1 1 A 41 41 GLY H H 41 9.080 8.985 0.095 1
1 446 . 11 1 1 A 41 41 GLY HA2 H 41 4.602 3.820 0.782 1
1 447 . 11 1 1 A 41 41 GLY HA3 H 41 3.671 3.860 -0.189 1
1 448 . 11 1 1 A 41 41 GLY C C 41 176.409 173.875 2.534 1
1 449 . 11 1 1 A 41 41 GLY CA C 41 44.724 45.450 -0.726 1
1 450 . 11 1 1 A 41 41 GLY N N 41 106.159 108.203 -2.044 1
1 451 . 11 1 1 A 42 42 TYR H H 42 11.980 8.360 3.620 1
1 452 . 11 1 1 A 42 42 TYR HA H 42 4.616 5.061 -0.445 1
1 459 . 11 1 1 A 42 42 TYR C C 42 174.385 175.339 -0.954 1
1 460 . 11 1 1 A 42 42 TYR CA C 42 57.579 57.091 0.488 1
1 461 . 11 1 1 A 42 42 TYR CB C 42 36.198 36.879 -0.681 1
1 466 . 11 1 1 A 42 42 TYR N N 42 133.554 119.550 14.004 1
1 467 . 11 1 1 A 43 43 ILE H H 43 7.120 8.381 -1.261 1
1 468 . 11 1 1 A 43 43 ILE HA H 43 4.630 4.567 0.063 1
1 478 . 11 1 1 A 43 43 ILE C C 43 177.219 176.224 0.995 1
1 479 . 11 1 1 A 43 43 ILE CA C 43 58.201 58.523 -0.322 1
1 480 . 11 1 1 A 43 43 ILE CB C 43 38.761 37.964 0.797 1
1 484 . 11 1 1 A 43 43 ILE N N 43 118.881 125.426 -6.545 1
1 485 . 11 1 1 A 44 44 PRO HA H 44 4.193 4.541 -0.348 1
1 492 . 11 1 1 A 44 44 PRO C C 44 178.780 177.725 1.055 1
1 493 . 11 1 1 A 44 44 PRO CA C 44 67.061 64.361 2.700 1
1 494 . 11 1 1 A 44 44 PRO CB C 44 32.267 31.853 0.414 1
1 497 . 11 1 1 A 45 45 SER H H 45 7.984 8.346 -0.362 1
1 498 . 11 1 1 A 45 45 SER HA H 45 4.087 4.228 -0.141 1
1 502 . 11 1 1 A 45 45 SER C C 45 176.004 176.236 -0.232 1
1 503 . 11 1 1 A 45 45 SER CA C 45 60.161 61.250 -1.089 1
1 504 . 11 1 1 A 45 45 SER CB C 45 62.260 63.144 -0.884 1
1 505 . 11 1 1 A 45 45 SER N N 45 107.865 113.718 -5.853 1
1 506 . 11 1 1 A 46 46 LYS H H 46 7.769 7.678 0.091 1
1 507 . 11 1 1 A 46 46 LYS HA H 46 3.965 4.126 -0.161 1
1 516 . 11 1 1 A 46 46 LYS C C 46 175.831 176.394 -0.563 1
1 517 . 11 1 1 A 46 46 LYS CA C 46 57.349 57.448 -0.099 1
1 518 . 11 1 1 A 46 46 LYS CB C 46 33.283 32.769 0.514 1
1 522 . 11 1 1 A 46 46 LYS N N 46 121.944 117.656 4.288 1
1 523 . 11 1 1 A 47 47 PHE H H 47 7.018 7.537 -0.519 1
1 524 . 11 1 1 A 47 47 PHE HA H 47 5.244 5.123 0.121 1
1 532 . 11 1 1 A 47 47 PHE C C 47 174.790 174.493 0.297 1
1 533 . 11 1 1 A 47 47 PHE CA C 47 54.142 54.654 -0.512 1
1 534 . 11 1 1 A 47 47 PHE CB C 47 39.434 38.792 0.642 1
1 539 . 11 1 1 A 47 47 PHE N N 47 115.480 119.090 -3.610 1
1 540 . 11 1 1 A 48 48 PRO HA H 48 4.472 4.531 -0.059 1
1 547 . 11 1 1 A 48 48 PRO C C 48 177.681 177.784 -0.103 1
1 548 . 11 1 1 A 48 48 PRO CA C 48 65.513 64.367 1.146 1
1 549 . 11 1 1 A 48 48 PRO CB C 48 31.712 32.088 -0.376 1
1 552 . 11 1 1 A 49 49 ASN H H 49 8.559 8.956 -0.397 1
1 553 . 11 1 1 A 49 49 ASN HA H 49 4.818 4.510 0.308 1
1 558 . 11 1 1 A 49 49 ASN C C 49 175.715 176.490 -0.775 1
1 559 . 11 1 1 A 49 49 ASN CA C 49 53.372 55.075 -1.703 1
1 560 . 11 1 1 A 49 49 ASN CB C 49 37.351 37.249 0.102 1
1 561 . 11 1 1 A 49 49 ASN N N 49 114.836 116.130 -1.294 1
1 563 . 11 1 1 A 50 50 LYS H H 50 7.627 7.580 0.047 1
1 564 . 11 1 1 A 50 50 LYS HA H 50 4.480 4.379 0.101 1
1 573 . 11 1 1 A 50 50 LYS C C 50 175.079 175.609 -0.530 1
1 574 . 11 1 1 A 50 50 LYS CA C 50 53.336 55.679 -2.343 1
1 575 . 11 1 1 A 50 50 LYS CB C 50 31.284 32.263 -0.979 1
1 579 . 11 1 1 A 50 50 LYS N N 50 116.224 117.690 -1.466 1
1 580 . 11 1 1 A 51 51 ASN H H 51 7.945 8.207 -0.262 1
1 581 . 11 1 1 A 51 51 ASN HA H 51 4.304 4.378 -0.074 1
1 586 . 11 1 1 A 51 51 ASN C C 51 175.195 175.558 -0.363 1
1 587 . 11 1 1 A 51 51 ASN CA C 51 54.089 54.001 0.088 1
1 588 . 11 1 1 A 51 51 ASN CB C 51 36.504 37.104 -0.600 1
1 589 . 11 1 1 A 51 51 ASN N N 51 115.331 116.918 -1.587 1
1 591 . 11 1 1 A 52 52 LEU H H 52 8.803 7.869 0.934 1
1 592 . 11 1 1 A 52 52 LEU HA H 52 3.412 4.220 -0.808 1
1 602 . 11 1 1 A 52 52 LEU C C 52 174.674 175.042 -0.368 1
1 603 . 11 1 1 A 52 52 LEU CA C 52 53.983 54.411 -0.428 1
1 604 . 11 1 1 A 52 52 LEU CB C 52 42.471 41.373 1.098 1
1 608 . 11 1 1 A 52 52 LEU N N 52 121.765 121.056 0.709 1
1 609 . 11 1 1 A 53 53 LYS H H 53 7.099 8.373 -1.274 1
1 610 . 11 1 1 A 53 53 LYS HA H 53 4.324 4.876 -0.552 1
1 619 . 11 1 1 A 53 53 LYS C C 53 173.460 176.424 -2.964 1
1 620 . 11 1 1 A 53 53 LYS CA C 53 54.843 54.412 0.431 1
1 621 . 11 1 1 A 53 53 LYS CB C 53 36.395 35.599 0.796 1
1 625 . 11 1 1 A 53 53 LYS N N 53 124.403 126.205 -1.802 1
1 626 . 11 1 1 A 54 54 LYS H H 54 8.805 8.907 -0.102 1
1 627 . 11 1 1 A 54 54 LYS HA H 54 3.692 3.825 -0.133 1
1 636 . 11 1 1 A 54 54 LYS C C 54 173.344 175.993 -2.649 1
1 637 . 11 1 1 A 54 54 LYS CA C 54 56.366 57.877 -1.511 1
1 638 . 11 1 1 A 54 54 LYS CB C 54 29.830 30.299 -0.469 1
1 642 . 11 1 1 A 54 54 LYS N N 54 118.125 117.798 0.327 1
1 643 . 11 1 1 A 55 55 ASN H H 55 7.567 8.503 -0.936 1
1 644 . 11 1 1 A 55 55 ASN HA H 55 4.643 4.625 0.018 1
1 649 . 11 1 1 A 55 55 ASN C C 55 172.188 175.340 -3.152 1
1 650 . 11 1 1 A 55 55 ASN CA C 55 51.091 51.568 -0.477 1
1 651 . 11 1 1 A 55 55 ASN CB C 55 37.234 37.414 -0.180 1
1 652 . 11 1 1 A 55 55 ASN N N 55 123.893 121.964 1.929 1
1 654 . 11 1 1 A 56 56 TYR H H 56 7.584 7.414 0.170 1
1 655 . 11 1 1 A 56 56 TYR HA H 56 4.892 5.050 -0.158 1
1 662 . 11 1 1 A 56 56 TYR C C 56 177.276 175.953 1.323 1
1 663 . 11 1 1 A 56 56 TYR CA C 56 54.447 58.087 -3.640 1
1 664 . 11 1 1 A 56 56 TYR CB C 56 38.633 39.486 -0.853 1
1 669 . 11 1 1 A 56 56 TYR N N 56 115.237 120.239 -5.002 1
1 670 . 11 1 1 A 57 57 CYS H H 57 9.149 9.141 0.008 1
1 671 . 11 1 1 A 57 57 CYS HA H 57 4.398 4.886 -0.488 1
1 674 . 11 1 1 A 57 57 CYS C C 57 175.600 174.497 1.103 1
1 675 . 11 1 1 A 57 57 CYS CA C 57 59.824 56.300 3.524 1
1 676 . 11 1 1 A 57 57 CYS CB C 57 48.356 42.563 5.793 1
1 677 . 11 1 1 A 57 57 CYS N N 57 119.273 122.337 -3.064 1
1 678 . 11 1 1 A 58 58 ARG H H 58 9.138 8.549 0.589 1
1 679 . 11 1 1 A 58 58 ARG HA H 58 4.918 5.159 -0.241 1
1 687 . 11 1 1 A 58 58 ARG C C 58 173.576 174.159 -0.583 1
1 688 . 11 1 1 A 58 58 ARG CA C 58 53.187 54.185 -0.998 1
1 689 . 11 1 1 A 58 58 ARG CB C 58 29.412 34.839 -5.427 1
1 692 . 11 1 1 A 58 58 ARG N N 58 122.881 125.129 -2.248 1
1 694 . 11 1 1 A 59 59 ASN H H 59 8.868 8.661 0.207 1
1 695 . 11 1 1 A 59 59 ASN HA H 59 5.513 5.076 0.437 1
1 700 . 11 1 1 A 59 59 ASN C C 59 172.824 174.419 -1.595 1
1 701 . 11 1 1 A 59 59 ASN CA C 59 53.176 49.995 3.181 1
1 702 . 11 1 1 A 59 59 ASN CB C 59 37.237 39.477 -2.240 1
1 703 . 11 1 1 A 59 59 ASN N N 59 113.603 119.059 -5.456 1
1 705 . 11 1 1 A 60 60 PRO HA H 60 4.712 4.317 0.395 1
1 712 . 11 1 1 A 60 60 PRO C C 60 175.715 177.761 -2.046 1
1 713 . 11 1 1 A 60 60 PRO CA C 60 63.643 64.473 -0.830 1
1 714 . 11 1 1 A 60 60 PRO CB C 60 32.507 31.591 0.916 1
1 717 . 11 1 1 A 61 61 ASP H H 61 8.883 8.026 0.857 1
1 718 . 11 1 1 A 61 61 ASP HA H 61 4.495 4.479 0.016 1
1 721 . 11 1 1 A 61 61 ASP C C 61 174.848 175.353 -0.505 1
1 722 . 11 1 1 A 61 61 ASP CA C 61 51.953 53.410 -1.457 1
1 723 . 11 1 1 A 61 61 ASP CB C 61 42.092 40.044 2.048 1
1 724 . 11 1 1 A 61 61 ASP N N 61 118.660 116.444 2.216 1
1 725 . 11 1 1 A 62 62 ARG H H 62 8.395 7.953 0.442 1
1 726 . 11 1 1 A 62 62 ARG HA H 62 3.789 3.892 -0.103 1
1 734 . 11 1 1 A 62 62 ARG C C 62 176.236 174.636 1.600 1
1 735 . 11 1 1 A 62 62 ARG CA C 62 57.318 56.965 0.353 1
1 736 . 11 1 1 A 62 62 ARG CB C 62 26.990 27.288 -0.298 1
1 739 . 11 1 1 A 62 62 ARG N N 62 116.013 114.978 1.035 1
1 741 . 11 1 1 A 63 63 ASP H H 63 9.735 8.305 1.430 1
1 742 . 11 1 1 A 63 63 ASP HA H 63 4.769 4.662 0.107 1
1 745 . 11 1 1 A 63 63 ASP C C 63 177.334 176.486 0.848 1
1 746 . 11 1 1 A 63 63 ASP CA C 63 51.973 53.051 -1.078 1
1 747 . 11 1 1 A 63 63 ASP CB C 63 42.698 42.565 0.133 1
1 748 . 11 1 1 A 63 63 ASP N N 63 121.799 117.624 4.175 1
1 749 . 11 1 1 A 64 64 LEU H H 64 10.919 8.852 2.067 1
1 750 . 11 1 1 A 64 64 LEU HA H 64 3.995 4.386 -0.391 1
1 760 . 11 1 1 A 64 64 LEU C C 64 176.467 176.717 -0.250 1
1 761 . 11 1 1 A 64 64 LEU CA C 64 57.772 56.007 1.765 1
1 762 . 11 1 1 A 64 64 LEU CB C 64 43.630 43.047 0.583 1
1 766 . 11 1 1 A 64 64 LEU N N 64 121.789 121.866 -0.077 1
1 767 . 11 1 1 A 65 65 ARG H H 65 7.633 7.805 -0.172 1
1 768 . 11 1 1 A 65 65 ARG HA H 65 5.006 4.784 0.222 1
1 776 . 11 1 1 A 65 65 ARG C C 65 172.130 173.898 -1.768 1
1 777 . 11 1 1 A 65 65 ARG CA C 65 53.368 54.008 -0.640 1
1 778 . 11 1 1 A 65 65 ARG CB C 65 28.429 33.591 -5.162 1
1 781 . 11 1 1 A 65 65 ARG N N 65 108.790 118.325 -9.535 1
1 783 . 11 1 1 A 66 66 PRO HA H 66 4.281 4.687 -0.406 1
1 790 . 11 1 1 A 66 66 PRO C C 66 172.940 176.064 -3.124 1
1 791 . 11 1 1 A 66 66 PRO CA C 66 63.677 63.196 0.481 1
1 792 . 11 1 1 A 66 66 PRO CB C 66 32.592 32.894 -0.302 1
1 795 . 11 1 1 A 67 67 TRP H H 67 8.716 8.341 0.375 1
1 796 . 11 1 1 A 67 67 TRP HA H 67 5.406 5.231 0.175 1
1 805 . 11 1 1 A 67 67 TRP C C 67 172.919 173.740 -0.821 1
1 806 . 11 1 1 A 67 67 TRP CA C 67 56.035 55.599 0.436 1
1 807 . 11 1 1 A 67 67 TRP CB C 67 34.026 31.361 2.665 1
1 813 . 11 1 1 A 67 67 TRP N N 67 121.250 117.779 3.471 1
1 815 . 11 1 1 A 68 68 CYS H H 68 8.384 8.823 -0.439 1
1 816 . 11 1 1 A 68 68 CYS HA H 68 4.265 4.641 -0.376 1
1 819 . 11 1 1 A 68 68 CYS C C 68 175.079 172.809 2.270 1
1 820 . 11 1 1 A 68 68 CYS CA C 68 55.876 55.340 0.536 1
1 821 . 11 1 1 A 68 68 CYS CB C 68 42.232 45.759 -3.527 1
1 822 . 11 1 1 A 68 68 CYS N N 68 109.624 117.468 -7.844 1
1 823 . 11 1 1 A 69 69 PHE H H 69 8.031 8.192 -0.161 1
1 824 . 11 1 1 A 69 69 PHE HA H 69 5.420 4.921 0.499 1
1 832 . 11 1 1 A 69 69 PHE C C 69 176.814 175.608 1.206 1
1 833 . 11 1 1 A 69 69 PHE CA C 69 59.299 57.837 1.462 1
1 834 . 11 1 1 A 69 69 PHE CB C 69 38.411 39.665 -1.254 1
1 840 . 11 1 1 A 69 69 PHE N N 69 120.433 121.108 -0.675 1
1 841 . 11 1 1 A 70 70 THR H H 70 8.002 8.635 -0.633 1
1 842 . 11 1 1 A 70 70 THR HA H 70 5.408 4.589 0.819 1
1 848 . 11 1 1 A 70 70 THR C C 70 173.518 174.652 -1.134 1
1 849 . 11 1 1 A 70 70 THR CA C 70 61.208 62.367 -1.159 1
1 850 . 11 1 1 A 70 70 THR CB C 70 70.441 69.867 0.574 1
1 852 . 11 1 1 A 70 70 THR N N 70 112.351 118.794 -6.443 1
1 853 . 11 1 1 A 71 71 THR H H 71 8.126 8.902 -0.776 1
1 854 . 11 1 1 A 71 71 THR HA H 71 4.037 4.480 -0.443 1
1 860 . 11 1 1 A 71 71 THR C C 71 174.903 173.962 0.941 1
1 861 . 11 1 1 A 71 71 THR CA C 71 62.413 62.978 -0.565 1
1 862 . 11 1 1 A 71 71 THR CB C 71 69.167 69.278 -0.111 1
1 864 . 11 1 1 A 71 71 THR N N 71 104.863 118.970 -14.107 1
1 865 . 11 1 1 A 72 72 ASP H H 72 9.024 7.921 1.103 1
1 866 . 11 1 1 A 72 72 ASP HA H 72 4.936 4.980 -0.044 1
1 869 . 11 1 1 A 72 72 ASP C C 72 176.929 175.457 1.472 1
1 870 . 11 1 1 A 72 72 ASP CA C 72 51.333 51.750 -0.417 1
1 871 . 11 1 1 A 72 72 ASP CB C 72 43.416 42.060 1.356 1
1 872 . 11 1 1 A 72 72 ASP N N 72 126.242 124.170 2.072 1
1 873 . 11 1 1 A 73 73 PRO HA H 73 3.962 4.193 -0.231 1
1 880 . 11 1 1 A 73 73 PRO C C 73 177.045 178.084 -1.039 1
1 881 . 11 1 1 A 73 73 PRO CA C 73 64.632 65.374 -0.742 1
1 882 . 11 1 1 A 73 73 PRO CB C 73 32.460 31.817 0.643 1
1 885 . 11 1 1 A 74 74 ASN H H 74 8.943 8.031 0.912 1
1 886 . 11 1 1 A 74 74 ASN HA H 74 4.854 4.750 0.104 1
1 891 . 11 1 1 A 74 74 ASN C C 74 174.443 175.681 -1.238 1
1 892 . 11 1 1 A 74 74 ASN CA C 74 53.380 54.975 -1.595 1
1 893 . 11 1 1 A 74 74 ASN CB C 74 39.333 38.733 0.600 1
1 894 . 11 1 1 A 74 74 ASN N N 74 114.144 114.870 -0.726 1
1 896 . 11 1 1 A 75 75 LYS H H 75 7.795 7.630 0.165 1
1 897 . 11 1 1 A 75 75 LYS HA H 75 4.571 4.618 -0.047 1
1 906 . 11 1 1 A 75 75 LYS C C 75 173.402 175.810 -2.408 1
1 907 . 11 1 1 A 75 75 LYS CA C 75 54.154 54.965 -0.811 1
1 908 . 11 1 1 A 75 75 LYS CB C 75 32.186 34.401 -2.215 1
1 912 . 11 1 1 A 75 75 LYS N N 75 122.835 119.400 3.435 1
1 913 . 11 1 1 A 76 76 ARG H H 76 9.132 8.783 0.349 1
1 914 . 11 1 1 A 76 76 ARG HA H 76 4.555 3.971 0.584 1
1 922 . 11 1 1 A 76 76 ARG C C 76 175.137 175.947 -0.810 1
1 923 . 11 1 1 A 76 76 ARG CA C 76 60.532 57.644 2.888 1
1 924 . 11 1 1 A 76 76 ARG CB C 76 29.307 31.273 -1.966 1
1 927 . 11 1 1 A 76 76 ARG N N 76 129.676 126.235 3.441 1
1 929 . 11 1 1 A 77 77 TRP H H 77 7.559 7.367 0.192 1
1 930 . 11 1 1 A 77 77 TRP HA H 77 5.357 5.187 0.170 1
1 939 . 11 1 1 A 77 77 TRP C C 77 172.940 174.135 -1.195 1
1 940 . 11 1 1 A 77 77 TRP CA C 77 55.044 55.636 -0.592 1
1 941 . 11 1 1 A 77 77 TRP CB C 77 31.951 31.430 0.521 1
1 947 . 11 1 1 A 77 77 TRP N N 77 109.174 114.081 -4.907 1
1 949 . 11 1 1 A 78 78 GLU H H 78 8.638 8.799 -0.161 1
1 950 . 11 1 1 A 78 78 GLU HA H 78 3.671 4.710 -1.039 1
1 955 . 11 1 1 A 78 78 GLU C C 78 174.501 175.729 -1.228 1
1 956 . 11 1 1 A 78 78 GLU CA C 78 55.659 54.614 1.045 1
1 957 . 11 1 1 A 78 78 GLU CB C 78 34.557 33.962 0.595 1
1 959 . 11 1 1 A 78 78 GLU N N 78 118.907 119.310 -0.403 1
1 960 . 11 1 1 A 79 79 TYR H H 79 7.636 8.921 -1.285 1
1 961 . 11 1 1 A 79 79 TYR HA H 79 4.995 4.970 0.025 1
1 968 . 11 1 1 A 79 79 TYR C C 79 175.889 176.065 -0.176 1
1 969 . 11 1 1 A 79 79 TYR CA C 79 60.120 58.858 1.262 1
1 970 . 11 1 1 A 79 79 TYR CB C 79 39.789 38.862 0.927 1
1 975 . 11 1 1 A 79 79 TYR N N 79 119.277 119.828 -0.551 1
1 976 . 11 1 1 A 80 80 CYS H H 80 9.398 9.214 0.184 1
1 977 . 11 1 1 A 80 80 CYS HA H 80 4.720 5.430 -0.710 1
1 980 . 11 1 1 A 80 80 CYS C C 80 172.419 172.216 0.203 1
1 981 . 11 1 1 A 80 80 CYS CA C 80 54.618 54.289 0.329 1
1 982 . 11 1 1 A 80 80 CYS CB C 80 46.736 43.922 2.814 1
1 983 . 11 1 1 A 80 80 CYS N N 80 118.623 120.557 -1.934 1
1 984 . 11 1 1 A 81 81 ASP H H 81 9.729 8.890 0.839 1
1 985 . 11 1 1 A 81 81 ASP HA H 81 4.781 4.729 0.052 1
1 988 . 11 1 1 A 81 81 ASP C C 81 173.576 174.623 -1.047 1
1 989 . 11 1 1 A 81 81 ASP CA C 81 52.855 53.330 -0.475 1
1 990 . 11 1 1 A 81 81 ASP CB C 81 40.733 40.495 0.238 1
1 991 . 11 1 1 A 81 81 ASP N N 81 124.777 126.375 -1.598 1
1 992 . 11 1 1 A 82 82 ILE H H 82 7.820 8.248 -0.428 1
1 993 . 11 1 1 A 82 82 ILE HA H 82 4.320 4.448 -0.128 1
1 1003 . 11 1 1 A 82 82 ILE C C 82 173.923 174.185 -0.262 1
1 1004 . 11 1 1 A 82 82 ILE CA C 82 56.118 57.815 -1.697 1
1 1005 . 11 1 1 A 82 82 ILE CB C 82 38.166 37.610 0.556 1
1 1009 . 11 1 1 A 82 82 ILE N N 82 125.281 126.278 -0.997 1
1 1010 . 11 1 1 A 83 83 PRO HA H 83 4.337 4.410 -0.073 1
1 1017 . 11 1 1 A 83 83 PRO C C 83 175.167 176.272 -1.105 1
1 1018 . 11 1 1 A 83 83 PRO CA C 83 62.844 63.339 -0.495 1
1 1019 . 11 1 1 A 83 83 PRO CB C 83 32.450 32.013 0.437 1
1 1022 . 11 1 1 A 84 84 ARG H H 84 8.656 8.380 0.276 1
1 1023 . 11 1 1 A 84 84 ARG HA H 84 4.658 4.633 0.025 1
1 1031 . 11 1 1 A 84 84 ARG C C 84 175.137 175.529 -0.392 1
1 1032 . 11 1 1 A 84 84 ARG CA C 84 55.617 55.268 0.349 1
1 1033 . 11 1 1 A 84 84 ARG CB C 84 30.482 31.268 -0.786 1
1 1036 . 11 1 1 A 84 84 ARG N N 84 122.316 117.935 4.381 1
1 1038 . 11 1 1 A 85 85 CYS H H 85 8.783 8.742 0.041 1
1 1039 . 11 1 1 A 85 85 CYS HA H 85 4.479 5.012 -0.533 1
1 1042 . 11 1 1 A 85 85 CYS C C 85 174.906 173.110 1.796 1
1 1043 . 11 1 1 A 85 85 CYS CA C 85 54.177 54.886 -0.709 1
1 1044 . 11 1 1 A 85 85 CYS CB C 85 39.574 47.083 -7.509 1
1 1045 . 11 1 1 A 85 85 CYS N N 85 124.002 118.806 5.196 1
1 1046 . 11 1 1 A 86 86 ALA H H 86 8.746 8.683 0.063 1
1 1047 . 11 1 1 A 86 86 ALA HA H 86 4.255 4.465 -0.210 1
1 1051 . 11 1 1 A 86 86 ALA C C 86 176.236 177.412 -1.176 1
1 1052 . 11 1 1 A 86 86 ALA CA C 86 53.067 52.667 0.400 1
1 1053 . 11 1 1 A 86 86 ALA CB C 86 19.034 19.596 -0.562 1
1 1054 . 11 1 1 A 86 86 ALA N N 86 126.444 124.458 1.986 1
1 1064 . 11 2 2 B 2 2 SER HA H 100 4.570 4.674 -0.104 1
1 1067 . 11 2 2 B 2 2 SER C C 100 174.779 171.836 2.943 1
1 1068 . 11 2 2 B 2 2 SER CA C 100 58.624 57.728 0.896 1
1 1069 . 11 2 2 B 2 2 SER CB C 100 63.939 65.523 -1.584 1
1 1070 . 11 2 2 B 3 3 VAL H H 101 8.341 8.735 -0.394 1
1 1071 . 11 2 2 B 3 3 VAL HA H 101 4.151 4.238 -0.087 1
1 1079 . 11 2 2 B 3 3 VAL C C 101 176.450 175.683 0.767 1
1 1080 . 11 2 2 B 3 3 VAL CA C 101 62.793 61.463 1.330 1
1 1081 . 11 2 2 B 3 3 VAL CB C 101 32.495 30.049 2.446 1
1 1084 . 11 2 2 B 3 3 VAL N N 101 121.954 121.938 0.016 1
1 1085 . 11 2 2 B 4 4 GLU H H 102 8.521 8.169 0.352 1
1 1086 . 11 2 2 B 4 4 GLU HA H 102 4.291 3.805 0.486 1
1 1091 . 11 2 2 B 4 4 GLU C C 102 176.450 176.484 -0.034 1
1 1092 . 11 2 2 B 4 4 GLU CA C 102 56.955 59.867 -2.912 1
1 1093 . 11 2 2 B 4 4 GLU CB C 102 30.233 29.070 1.163 1
1 1095 . 11 2 2 B 4 4 GLU N N 102 124.722 129.047 -4.325 1
1 1096 . 11 2 2 B 5 5 LYS H H 103 8.323 8.023 0.300 1
1 1097 . 11 2 2 B 5 5 LYS HA H 103 4.313 3.978 0.335 1
1 1106 . 11 2 2 B 5 5 LYS C C 103 176.784 176.790 -0.006 1
1 1107 . 11 2 2 B 5 5 LYS CA C 103 56.688 57.481 -0.793 1
1 1108 . 11 2 2 B 5 5 LYS CB C 103 30.228 31.572 -1.344 1
1 1112 . 11 2 2 B 5 5 LYS N N 103 122.689 119.034 3.655 1
1 1113 . 11 2 2 B 6 6 LEU H H 104 8.369 7.972 0.397 1
1 1114 . 11 2 2 B 6 6 LEU HA H 104 4.500 4.315 0.185 1
1 1124 . 11 2 2 B 6 6 LEU C C 104 177.632 176.958 0.674 1
1 1125 . 11 2 2 B 6 6 LEU CA C 104 55.480 55.306 0.174 1
1 1126 . 11 2 2 B 6 6 LEU CB C 104 42.587 42.830 -0.243 1
1 1130 . 11 2 2 B 6 6 LEU N N 104 123.373 118.197 5.176 1
1 1131 . 11 2 2 B 7 7 THR HA H 105 4.558 4.587 -0.029 1
1 1137 . 11 2 2 B 7 7 THR C C 105 175.614 175.526 0.088 1
1 1138 . 11 2 2 B 7 7 THR CA C 105 62.000 60.338 1.662 1
1 1139 . 11 2 2 B 7 7 THR CB C 105 70.090 71.769 -1.679 1
1 1141 . 11 2 2 B 8 8 ALA H H 106 8.649 9.055 -0.406 1
1 1142 . 11 2 2 B 8 8 ALA HA H 106 4.458 3.998 0.460 1
1 1146 . 11 2 2 B 8 8 ALA C C 106 179.290 179.345 -0.055 1
1 1147 . 11 2 2 B 8 8 ALA CA C 106 55.552 55.166 0.386 1
1 1148 . 11 2 2 B 8 8 ALA CB C 106 18.704 18.070 0.634 1
1 1149 . 11 2 2 B 8 8 ALA N N 106 124.857 124.490 0.367 1
1 1150 . 11 2 2 B 9 9 ASP H H 107 8.286 8.128 0.158 1
1 1151 . 11 2 2 B 9 9 ASP HA H 107 4.457 4.444 0.013 1
1 1154 . 11 2 2 B 9 9 ASP C C 107 178.845 177.341 1.504 1
1 1155 . 11 2 2 B 9 9 ASP CA C 107 57.733 56.440 1.293 1
1 1156 . 11 2 2 B 9 9 ASP CB C 107 40.881 40.641 0.240 1
1 1157 . 11 2 2 B 9 9 ASP N N 107 115.621 119.757 -4.136 1
1 1158 . 11 2 2 B 10 10 ALA H H 108 7.887 7.678 0.209 1
1 1159 . 11 2 2 B 10 10 ALA HA H 108 4.182 4.224 -0.042 1
1 1163 . 11 2 2 B 10 10 ALA C C 108 180.906 179.553 1.353 1
1 1164 . 11 2 2 B 10 10 ALA CA C 108 55.014 54.158 0.856 1
1 1165 . 11 2 2 B 10 10 ALA CB C 108 18.631 18.912 -0.281 1
1 1166 . 11 2 2 B 10 10 ALA N N 108 122.756 122.368 0.388 1
1 1167 . 11 2 2 B 11 11 GLU H H 109 8.390 7.879 0.511 1
1 1168 . 11 2 2 B 11 11 GLU HA H 109 4.256 4.093 0.163 1
1 1173 . 11 2 2 B 11 11 GLU C C 109 178.678 179.046 -0.368 1
1 1174 . 11 2 2 B 11 11 GLU CA C 109 59.105 59.081 0.024 1
1 1175 . 11 2 2 B 11 11 GLU CB C 109 29.559 29.434 0.125 1
1 1177 . 11 2 2 B 11 11 GLU N N 109 121.999 118.780 3.219 1
1 1178 . 11 2 2 B 12 12 LEU H H 110 8.395 8.554 -0.159 1
1 1179 . 11 2 2 B 12 12 LEU HA H 110 3.808 3.968 -0.160 1
1 1189 . 11 2 2 B 12 12 LEU C C 110 178.288 179.178 -0.890 1
1 1190 . 11 2 2 B 12 12 LEU CA C 110 58.407 58.044 0.363 1
1 1191 . 11 2 2 B 12 12 LEU CB C 110 41.329 41.243 0.086 1
1 1195 . 11 2 2 B 12 12 LEU N N 110 119.939 120.110 -0.171 1
1 1196 . 11 2 2 B 13 13 GLN H H 111 7.761 7.999 -0.238 1
1 1197 . 11 2 2 B 13 13 GLN HA H 111 4.008 3.959 0.049 1
1 1202 . 11 2 2 B 13 13 GLN C C 111 177.954 178.298 -0.344 1
1 1203 . 11 2 2 B 13 13 GLN CA C 111 58.674 59.254 -0.580 1
1 1204 . 11 2 2 B 13 13 GLN CB C 111 28.513 28.230 0.283 1
1 1206 . 11 2 2 B 13 13 GLN N N 111 117.305 119.593 -2.288 1
1 1207 . 11 2 2 B 14 14 ARG H H 112 7.752 7.706 0.046 1
1 1208 . 11 2 2 B 14 14 ARG HA H 112 4.053 4.168 -0.115 1
1 1216 . 11 2 2 B 14 14 ARG C C 112 179.625 178.616 1.009 1
1 1217 . 11 2 2 B 14 14 ARG CA C 112 59.770 58.434 1.336 1
1 1218 . 11 2 2 B 14 14 ARG CB C 112 29.884 29.599 0.285 1
1 1221 . 11 2 2 B 14 14 ARG N N 112 121.241 120.213 1.028 1
1 1223 . 11 2 2 B 15 15 LEU H H 113 8.478 8.068 0.410 1
1 1224 . 11 2 2 B 15 15 LEU HA H 113 3.974 3.991 -0.017 1
1 1234 . 11 2 2 B 15 15 LEU C C 113 180.627 179.204 1.423 1
1 1235 . 11 2 2 B 15 15 LEU CA C 113 58.251 57.797 0.454 1
1 1236 . 11 2 2 B 15 15 LEU CB C 113 41.751 41.547 0.204 1
1 1240 . 11 2 2 B 15 15 LEU N N 113 120.898 120.070 0.828 1
1 1241 . 11 2 2 B 16 16 LYS H H 114 8.437 8.303 0.134 1
1 1242 . 11 2 2 B 16 16 LYS HA H 114 3.368 3.863 -0.495 1
1 1251 . 11 2 2 B 16 16 LYS C C 114 178.288 178.877 -0.589 1
1 1252 . 11 2 2 B 16 16 LYS CA C 114 60.242 59.726 0.516 1
1 1253 . 11 2 2 B 16 16 LYS CB C 114 30.249 32.031 -1.782 1
1 1257 . 11 2 2 B 16 16 LYS N N 114 123.214 121.105 2.109 1
1 1258 . 11 2 2 B 17 17 ASN H H 115 8.137 8.689 -0.552 1
1 1259 . 11 2 2 B 17 17 ASN HA H 115 4.270 4.551 -0.281 1
1 1264 . 11 2 2 B 17 17 ASN C C 115 178.288 177.809 0.479 1
1 1265 . 11 2 2 B 17 17 ASN CA C 115 56.318 56.572 -0.254 1
1 1266 . 11 2 2 B 17 17 ASN CB C 115 37.573 37.862 -0.289 1
1 1267 . 11 2 2 B 17 17 ASN N N 115 117.923 118.298 -0.375 1
1 1269 . 11 2 2 B 18 18 GLU H H 116 8.110 8.667 -0.557 1
1 1270 . 11 2 2 B 18 18 GLU HA H 116 4.146 3.979 0.167 1
1 1275 . 11 2 2 B 18 18 GLU C C 116 178.956 178.993 -0.037 1
1 1276 . 11 2 2 B 18 18 GLU CA C 116 59.659 59.769 -0.110 1
1 1277 . 11 2 2 B 18 18 GLU CB C 116 29.950 29.096 0.854 1
1 1279 . 11 2 2 B 18 18 GLU N N 116 120.249 119.813 0.436 1
1 1280 . 11 2 2 B 19 19 ARG H H 117 7.925 8.071 -0.146 1
1 1281 . 11 2 2 B 19 19 ARG HA H 117 4.057 3.972 0.085 1
1 1289 . 11 2 2 B 19 19 ARG C C 117 180.070 179.036 1.034 1
1 1290 . 11 2 2 B 19 19 ARG CA C 117 59.564 59.616 -0.052 1
1 1291 . 11 2 2 B 19 19 ARG CB C 117 29.879 29.475 0.404 1
1 1294 . 11 2 2 B 19 19 ARG N N 117 119.801 118.560 1.241 1
1 1296 . 11 2 2 B 20 20 HIS H H 118 8.316 7.881 0.435 1
1 1297 . 11 2 2 B 20 20 HIS HA H 118 4.574 4.231 0.343 1
1 1304 . 11 2 2 B 20 20 HIS C C 118 176.784 177.883 -1.099 1
1 1305 . 11 2 2 B 20 20 HIS CA C 118 58.397 59.538 -1.141 1
1 1306 . 11 2 2 B 20 20 HIS CB C 118 29.343 29.765 -0.422 1
1 1309 . 11 2 2 B 20 20 HIS N N 118 117.802 118.711 -0.909 1
1 1310 . 11 2 2 B 21 21 GLU H H 119 8.400 8.795 -0.395 1
1 1311 . 11 2 2 B 21 21 GLU HA H 119 4.268 3.846 0.422 1
1 1316 . 11 2 2 B 21 21 GLU C C 119 178.566 179.392 -0.826 1
1 1317 . 11 2 2 B 21 21 GLU CA C 119 59.105 59.805 -0.700 1
1 1318 . 11 2 2 B 21 21 GLU CB C 119 29.559 29.232 0.327 1
1 1320 . 11 2 2 B 21 21 GLU N N 119 121.996 119.641 2.355 1
1 1321 . 11 2 2 B 22 22 GLU H H 120 8.285 8.827 -0.542 1
1 1322 . 11 2 2 B 22 22 GLU HA H 120 4.204 4.043 0.161 1
1 1327 . 11 2 2 B 22 22 GLU C C 120 178.288 179.071 -0.783 1
1 1328 . 11 2 2 B 22 22 GLU CA C 120 58.841 59.258 -0.417 1
1 1329 . 11 2 2 B 22 22 GLU CB C 120 29.322 29.166 0.156 1
1 1331 . 11 2 2 B 22 22 GLU N N 120 119.798 120.164 -0.366 1
1 1332 . 11 2 2 B 23 23 ALA H H 121 8.037 8.280 -0.243 1
1 1333 . 11 2 2 B 23 23 ALA HA H 121 4.270 3.999 0.271 1
1 1337 . 11 2 2 B 23 23 ALA C C 121 179.569 179.490 0.079 1
1 1338 . 11 2 2 B 23 23 ALA CA C 121 54.158 55.252 -1.094 1
1 1339 . 11 2 2 B 23 23 ALA CB C 121 18.923 18.278 0.645 1
1 1340 . 11 2 2 B 23 23 ALA N N 121 122.418 122.804 -0.386 1
1 1341 . 11 2 2 B 24 24 GLU H H 122 8.039 7.689 0.350 1
1 1342 . 11 2 2 B 24 24 GLU HA H 122 4.291 3.998 0.293 1
1 1347 . 11 2 2 B 24 24 GLU C C 122 177.954 179.096 -1.142 1
1 1348 . 11 2 2 B 24 24 GLU CA C 122 58.023 58.717 -0.694 1
1 1349 . 11 2 2 B 24 24 GLU CB C 122 29.566 29.427 0.139 1
1 1351 . 11 2 2 B 24 24 GLU N N 122 119.517 118.210 1.307 1
1 1352 . 11 2 2 B 25 25 LEU H H 123 7.962 8.715 -0.753 1
1 1353 . 11 2 2 B 25 25 LEU HA H 123 4.226 4.059 0.167 1
1 1363 . 11 2 2 B 25 25 LEU C C 123 179.123 178.269 0.854 1
1 1364 . 11 2 2 B 25 25 LEU CA C 123 57.213 57.868 -0.655 1
1 1365 . 11 2 2 B 25 25 LEU CB C 123 41.809 41.571 0.238 1
1 1369 . 11 2 2 B 25 25 LEU N N 123 120.617 122.196 -1.579 1
1 1370 . 11 2 2 B 26 26 GLU H H 124 8.093 8.649 -0.556 1
1 1371 . 11 2 2 B 26 26 GLU HA H 124 4.140 3.974 0.166 1
1 1376 . 11 2 2 B 26 26 GLU C C 124 177.954 178.630 -0.676 1
1 1377 . 11 2 2 B 26 26 GLU CA C 124 58.095 59.474 -1.379 1
1 1378 . 11 2 2 B 26 26 GLU CB C 124 29.910 29.066 0.844 1
1 1380 . 11 2 2 B 26 26 GLU N N 124 119.473 118.809 0.664 1
1 1381 . 11 2 2 B 27 27 ARG H H 125 7.954 7.718 0.236 1
1 1382 . 11 2 2 B 27 27 ARG HA H 125 4.210 3.909 0.301 1
1 1390 . 11 2 2 B 27 27 ARG C C 125 177.619 178.379 -0.760 1
1 1391 . 11 2 2 B 27 27 ARG CA C 125 57.677 58.419 -0.742 1
1 1392 . 11 2 2 B 27 27 ARG CB C 125 30.374 29.371 1.003 1
1 1395 . 11 2 2 B 27 27 ARG N N 125 120.670 120.389 0.281 1
1 1397 . 11 2 2 B 28 28 LEU H H 126 8.038 7.593 0.445 1
1 1398 . 11 2 2 B 28 28 LEU HA H 126 4.270 4.217 0.053 1
1 1408 . 11 2 2 B 28 28 LEU C C 126 178.065 178.124 -0.059 1
1 1409 . 11 2 2 B 28 28 LEU CA C 126 56.096 56.863 -0.767 1
1 1410 . 11 2 2 B 28 28 LEU CB C 126 42.252 42.706 -0.454 1
1 1414 . 11 2 2 B 28 28 LEU N N 126 120.818 120.665 0.153 1
1 1415 . 11 2 2 B 29 29 LYS H H 127 7.944 8.564 -0.620 1
1 1416 . 11 2 2 B 29 29 LYS HA H 127 4.270 4.024 0.246 1
1 1425 . 11 2 2 B 29 29 LYS C C 127 176.951 176.817 0.134 1
1 1426 . 11 2 2 B 29 29 LYS CA C 127 57.168 59.616 -2.448 1
1 1427 . 11 2 2 B 29 29 LYS CB C 127 32.755 32.221 0.534 1
1 1431 . 11 2 2 B 29 29 LYS N N 127 119.960 119.820 0.140 1
1 1432 . 11 2 2 B 30 30 SER H H 128 8.030 7.783 0.247 1
1 1433 . 11 2 2 B 30 30 SER HA H 128 4.466 4.491 -0.025 1
1 1436 . 11 2 2 B 30 30 SER C C 128 176.101 174.535 1.566 1
1 1437 . 11 2 2 B 30 30 SER CA C 128 58.590 58.436 0.154 1
1 1438 . 11 2 2 B 30 30 SER CB C 128 63.939 64.502 -0.563 1
1 1439 . 11 2 2 B 30 30 SER N N 128 115.496 114.542 0.954 1
1 1440 . 11 2 2 B 31 31 GLU H H 129 8.157 8.803 -0.646 1
1 1441 . 11 2 2 B 31 31 GLU HA H 129 4.291 4.485 -0.194 1
1 1446 . 11 2 2 B 31 31 GLU C C 129 175.112 175.071 0.041 1
1 1447 . 11 2 2 B 31 31 GLU CA C 129 56.654 55.904 0.750 1
1 1448 . 11 2 2 B 31 31 GLU CB C 129 30.389 27.869 2.520 1
1 1450 . 11 2 2 B 31 31 GLU N N 129 122.569 123.824 -1.255 1
1 1 . 12 1 1 A 2 2 VAL H H 2 7.944 8.614 -0.670 1
1 2 . 12 1 1 A 2 2 VAL HA H 2 4.035 3.256 0.779 1
1 10 . 12 1 1 A 2 2 VAL C C 2 174.807 175.547 -0.740 1
1 11 . 12 1 1 A 2 2 VAL CA C 2 61.947 62.339 -0.392 1
1 12 . 12 1 1 A 2 2 VAL CB C 2 33.175 29.693 3.482 1
1 15 . 12 1 1 A 2 2 VAL N N 2 123.960 117.417 6.543 1
1 16 . 12 1 1 A 3 3 GLU H H 3 8.465 7.912 0.553 1
1 17 . 12 1 1 A 3 3 GLU HA H 3 4.168 4.273 -0.105 1
1 22 . 12 1 1 A 3 3 GLU C C 3 175.888 176.268 -0.380 1
1 23 . 12 1 1 A 3 3 GLU CA C 3 56.487 56.409 0.078 1
1 24 . 12 1 1 A 3 3 GLU CB C 3 30.349 30.283 0.066 1
1 26 . 12 1 1 A 3 3 GLU N N 3 125.549 119.309 6.240 1
1 27 . 12 1 1 A 4 4 PHE H H 4 8.330 7.129 1.201 1
1 28 . 12 1 1 A 4 4 PHE HA H 4 4.651 4.507 0.144 1
1 36 . 12 1 1 A 4 4 PHE C C 4 175.550 176.731 -1.181 1
1 37 . 12 1 1 A 4 4 PHE CA C 4 57.827 56.291 1.536 1
1 38 . 12 1 1 A 4 4 PHE CB C 4 39.623 40.177 -0.554 1
1 44 . 12 1 1 A 4 4 PHE N N 4 121.869 118.428 3.441 1
1 45 . 12 1 1 A 5 5 SER H H 5 8.177 8.968 -0.791 1
1 46 . 12 1 1 A 5 5 SER HA H 5 4.395 4.301 0.094 1
1 49 . 12 1 1 A 5 5 SER C C 5 173.996 174.915 -0.919 1
1 50 . 12 1 1 A 5 5 SER CA C 5 58.045 60.786 -2.741 1
1 51 . 12 1 1 A 5 5 SER CB C 5 64.050 63.292 0.758 1
1 52 . 12 1 1 A 5 5 SER N N 5 117.865 115.277 2.588 1
1 53 . 12 1 1 A 6 6 GLU H H 6 8.425 7.807 0.618 1
1 54 . 12 1 1 A 6 6 GLU HA H 6 4.290 4.696 -0.406 1
1 59 . 12 1 1 A 6 6 GLU C C 6 176.699 176.690 0.009 1
1 60 . 12 1 1 A 6 6 GLU CA C 6 56.479 55.099 1.380 1
1 61 . 12 1 1 A 6 6 GLU CB C 6 30.715 27.727 2.988 1
1 63 . 12 1 1 A 6 6 GLU N N 6 122.791 120.095 2.696 1
1 64 . 12 1 1 A 7 7 GLU H H 7 8.421 8.804 -0.383 1
1 65 . 12 1 1 A 7 7 GLU HA H 7 4.742 4.437 0.305 1
1 70 . 12 1 1 A 7 7 GLU C C 7 175.145 176.871 -1.726 1
1 71 . 12 1 1 A 7 7 GLU CA C 7 55.617 58.266 -2.649 1
1 72 . 12 1 1 A 7 7 GLU CB C 7 29.095 30.155 -1.060 1
1 74 . 12 1 1 A 7 7 GLU N N 7 122.775 123.563 -0.788 1
1 75 . 12 1 1 A 8 8 CYS H H 8 7.917 7.734 0.183 1
1 76 . 12 1 1 A 8 8 CYS HA H 8 4.969 4.886 0.083 1
1 79 . 12 1 1 A 8 8 CYS C C 8 171.610 171.512 0.098 1
1 80 . 12 1 1 A 8 8 CYS CA C 8 53.880 54.762 -0.882 1
1 81 . 12 1 1 A 8 8 CYS CB C 8 43.144 45.121 -1.977 1
1 82 . 12 1 1 A 8 8 CYS N N 8 115.067 113.436 1.631 1
1 83 . 12 1 1 A 9 9 MET H H 9 9.379 9.109 0.270 1
1 84 . 12 1 1 A 9 9 MET HA H 9 5.049 5.315 -0.266 1
1 89 . 12 1 1 A 9 9 MET C C 9 174.038 174.028 0.010 1
1 90 . 12 1 1 A 9 9 MET CA C 9 53.312 54.190 -0.878 1
1 91 . 12 1 1 A 9 9 MET CB C 9 36.165 35.082 1.083 1
1 93 . 12 1 1 A 9 9 MET N N 9 117.763 121.074 -3.311 1
1 94 . 12 1 1 A 10 10 HIS H H 10 9.610 8.969 0.641 1
1 95 . 12 1 1 A 10 10 HIS HA H 10 4.877 4.944 -0.067 1
1 102 . 12 1 1 A 10 10 HIS C C 10 176.698 175.222 1.476 1
1 103 . 12 1 1 A 10 10 HIS CA C 10 55.016 55.414 -0.398 1
1 104 . 12 1 1 A 10 10 HIS CB C 10 31.116 32.117 -1.001 1
1 107 . 12 1 1 A 10 10 HIS N N 10 124.293 122.906 1.387 1
1 108 . 12 1 1 A 11 11 GLY H H 11 9.249 8.520 0.729 1
1 109 . 12 1 1 A 11 11 GLY HA2 H 11 4.104 3.695 0.409 1
1 110 . 12 1 1 A 11 11 GLY HA3 H 11 3.843 3.801 0.042 1
1 111 . 12 1 1 A 11 11 GLY C C 11 174.559 174.865 -0.306 1
1 112 . 12 1 1 A 11 11 GLY CA C 11 47.652 47.242 0.410 1
1 113 . 12 1 1 A 11 11 GLY N N 11 115.224 115.560 -0.336 1
1 114 . 12 1 1 A 12 12 SER H H 12 8.999 8.686 0.313 1
1 115 . 12 1 1 A 12 12 SER HA H 12 4.653 4.596 0.057 1
1 118 . 12 1 1 A 12 12 SER C C 12 176.178 174.536 1.642 1
1 119 . 12 1 1 A 12 12 SER CA C 12 57.731 58.651 -0.920 1
1 120 . 12 1 1 A 12 12 SER CB C 12 63.439 64.459 -1.020 1
1 121 . 12 1 1 A 12 12 SER N N 12 121.965 121.988 -0.023 1
1 122 . 12 1 1 A 13 13 GLY H H 13 9.022 7.990 1.032 1
1 123 . 12 1 1 A 13 13 GLY HA2 H 13 4.052 4.021 0.031 1
1 124 . 12 1 1 A 13 13 GLY HA3 H 13 3.957 4.063 -0.106 1
1 125 . 12 1 1 A 13 13 GLY C C 13 176.178 174.972 1.206 1
1 126 . 12 1 1 A 13 13 GLY CA C 13 47.972 45.314 2.658 1
1 127 . 12 1 1 A 13 13 GLY N N 13 109.294 108.517 0.777 1
1 128 . 12 1 1 A 14 14 GLU H H 14 9.552 8.107 1.445 1
1 129 . 12 1 1 A 14 14 GLU HA H 14 4.347 4.714 -0.367 1
1 134 . 12 1 1 A 14 14 GLU C C 14 177.045 178.676 -1.631 1
1 135 . 12 1 1 A 14 14 GLU CA C 14 60.282 58.797 1.485 1
1 136 . 12 1 1 A 14 14 GLU CB C 14 29.145 29.514 -0.369 1
1 138 . 12 1 1 A 14 14 GLU N N 14 123.736 121.844 1.892 1
1 139 . 12 1 1 A 15 15 ASN H H 15 8.425 7.822 0.603 1
1 140 . 12 1 1 A 15 15 ASN HA H 15 5.030 4.743 0.287 1
1 144 . 12 1 1 A 15 15 ASN C C 15 174.848 174.896 -0.048 1
1 145 . 12 1 1 A 15 15 ASN CA C 15 51.725 53.236 -1.511 1
1 146 . 12 1 1 A 15 15 ASN CB C 15 38.404 38.624 -0.220 1
1 147 . 12 1 1 A 15 15 ASN N N 15 112.918 116.964 -4.046 1
1 150 . 12 1 1 A 16 16 TYR H H 16 7.622 7.548 0.074 1
1 151 . 12 1 1 A 16 16 TYR HA H 16 4.445 4.708 -0.263 1
1 159 . 12 1 1 A 16 16 TYR C C 16 175.773 174.579 1.194 1
1 160 . 12 1 1 A 16 16 TYR CA C 16 60.125 57.770 2.355 1
1 161 . 12 1 1 A 16 16 TYR CB C 16 38.590 38.908 -0.318 1
1 166 . 12 1 1 A 16 16 TYR N N 16 121.437 121.579 -0.142 1
1 167 . 12 1 1 A 17 17 ASP H H 17 8.722 8.560 0.162 1
1 168 . 12 1 1 A 17 17 ASP HA H 17 4.599 4.763 -0.164 1
1 171 . 12 1 1 A 17 17 ASP C C 17 175.748 174.097 1.651 1
1 172 . 12 1 1 A 17 17 ASP CA C 17 52.327 52.537 -0.210 1
1 173 . 12 1 1 A 17 17 ASP CB C 17 42.265 40.697 1.568 1
1 174 . 12 1 1 A 17 17 ASP N N 17 130.345 128.561 1.784 1
1 175 . 12 1 1 A 18 18 GLY H H 18 4.504 7.869 -3.365 1
1 176 . 12 1 1 A 18 18 GLY HA2 H 18 4.092 3.612 0.480 1
1 177 . 12 1 1 A 18 18 GLY HA3 H 18 3.786 3.855 -0.069 1
1 178 . 12 1 1 A 18 18 GLY C C 18 174.732 174.579 0.153 1
1 179 . 12 1 1 A 18 18 GLY CA C 18 44.739 43.721 1.018 1
1 180 . 12 1 1 A 18 18 GLY N N 18 104.445 112.432 -7.987 1
1 181 . 12 1 1 A 19 19 LYS H H 19 9.272 8.532 0.740 1
1 182 . 12 1 1 A 19 19 LYS HA H 19 3.248 3.662 -0.414 1
1 191 . 12 1 1 A 19 19 LYS C C 19 176.409 176.686 -0.277 1
1 192 . 12 1 1 A 19 19 LYS CA C 19 55.454 55.601 -0.147 1
1 193 . 12 1 1 A 19 19 LYS CB C 19 32.499 32.269 0.230 1
1 197 . 12 1 1 A 19 19 LYS N N 19 117.569 117.941 -0.372 1
1 198 . 12 1 1 A 20 20 ILE H H 20 7.559 7.107 0.452 1
1 199 . 12 1 1 A 20 20 ILE HA H 20 3.991 4.123 -0.132 1
1 209 . 12 1 1 A 20 20 ILE C C 20 176.756 176.173 0.583 1
1 210 . 12 1 1 A 20 20 ILE CA C 20 64.261 62.419 1.842 1
1 211 . 12 1 1 A 20 20 ILE CB C 20 36.212 37.861 -1.649 1
1 215 . 12 1 1 A 20 20 ILE N N 20 122.778 122.581 0.197 1
1 216 . 12 1 1 A 21 21 SER H H 21 8.817 8.860 -0.043 1
1 217 . 12 1 1 A 21 21 SER HA H 21 5.128 4.889 0.239 1
1 220 . 12 1 1 A 21 21 SER C C 21 172.708 172.795 -0.087 1
1 221 . 12 1 1 A 21 21 SER CA C 21 57.513 58.218 -0.705 1
1 222 . 12 1 1 A 21 21 SER CB C 21 65.126 63.998 1.128 1
1 223 . 12 1 1 A 21 21 SER N N 21 122.859 122.656 0.203 1
1 224 . 12 1 1 A 22 22 LYS H H 22 7.150 7.717 -0.567 1
1 225 . 12 1 1 A 22 22 LYS HA H 22 5.530 5.481 0.049 1
1 234 . 12 1 1 A 22 22 LYS C C 22 176.120 176.779 -0.659 1
1 235 . 12 1 1 A 22 22 LYS CA C 22 53.471 54.879 -1.408 1
1 236 . 12 1 1 A 22 22 LYS CB C 22 37.049 35.693 1.356 1
1 240 . 12 1 1 A 22 22 LYS N N 22 119.681 120.152 -0.471 1
1 241 . 12 1 1 A 23 23 THR H H 23 9.134 9.027 0.107 1
1 242 . 12 1 1 A 23 23 THR HA H 23 4.630 4.755 -0.125 1
1 248 . 12 1 1 A 23 23 THR C C 23 177.971 176.058 1.913 1
1 249 . 12 1 1 A 23 23 THR CA C 23 61.032 60.716 0.316 1
1 250 . 12 1 1 A 23 23 THR CB C 23 70.818 71.355 -0.537 1
1 252 . 12 1 1 A 23 23 THR N N 23 111.072 114.917 -3.845 1
1 253 . 12 1 1 A 24 24 MET H H 24 9.383 9.235 0.148 1
1 254 . 12 1 1 A 24 24 MET HA H 24 4.168 4.248 -0.080 1
1 259 . 12 1 1 A 24 24 MET C C 24 176.122 177.709 -1.587 1
1 260 . 12 1 1 A 24 24 MET CA C 24 58.704 57.748 0.956 1
1 261 . 12 1 1 A 24 24 MET CB C 24 32.546 32.416 0.130 1
1 263 . 12 1 1 A 24 24 MET N N 24 118.120 119.859 -1.739 1
1 264 . 12 1 1 A 25 25 SER H H 25 7.763 7.855 -0.092 1
1 265 . 12 1 1 A 25 25 SER HA H 25 4.575 4.556 0.019 1
1 269 . 12 1 1 A 25 25 SER C C 25 174.848 174.759 0.089 1
1 270 . 12 1 1 A 25 25 SER CA C 25 58.895 58.627 0.268 1
1 271 . 12 1 1 A 25 25 SER CB C 25 62.844 64.135 -1.291 1
1 272 . 12 1 1 A 25 25 SER N N 25 113.626 113.597 0.029 1
1 273 . 12 1 1 A 26 26 GLY H H 26 8.136 7.998 0.138 1
1 274 . 12 1 1 A 26 26 GLY HA2 H 26 4.305 3.977 0.328 1
1 275 . 12 1 1 A 26 26 GLY HA3 H 26 3.503 3.984 -0.481 1
1 276 . 12 1 1 A 26 26 GLY C C 26 174.212 174.667 -0.455 1
1 277 . 12 1 1 A 26 26 GLY CA C 26 45.125 46.071 -0.946 1
1 278 . 12 1 1 A 26 26 GLY N N 26 110.819 110.421 0.398 1
1 279 . 12 1 1 A 27 27 LEU H H 27 7.183 8.319 -1.136 1
1 280 . 12 1 1 A 27 27 LEU HA H 27 4.319 4.520 -0.201 1
1 290 . 12 1 1 A 27 27 LEU C C 27 176.178 176.338 -0.160 1
1 291 . 12 1 1 A 27 27 LEU CA C 27 54.211 54.250 -0.039 1
1 292 . 12 1 1 A 27 27 LEU CB C 27 42.260 42.676 -0.416 1
1 296 . 12 1 1 A 27 27 LEU N N 27 120.765 122.283 -1.518 1
1 297 . 12 1 1 A 28 28 GLU H H 28 8.699 8.629 0.070 1
1 298 . 12 1 1 A 28 28 GLU HA H 28 4.506 4.507 -0.001 1
1 303 . 12 1 1 A 28 28 GLU C C 28 177.161 176.573 0.588 1
1 304 . 12 1 1 A 28 28 GLU CA C 28 56.451 56.153 0.298 1
1 305 . 12 1 1 A 28 28 GLU CB C 28 30.018 30.677 -0.659 1
1 307 . 12 1 1 A 28 28 GLU N N 28 122.582 120.849 1.733 1
1 308 . 12 1 1 A 29 29 CYS H H 29 8.624 9.058 -0.434 1
1 309 . 12 1 1 A 29 29 CYS HA H 29 4.812 5.058 -0.246 1
1 312 . 12 1 1 A 29 29 CYS C C 29 177.045 173.193 3.852 1
1 313 . 12 1 1 A 29 29 CYS CA C 29 55.189 56.312 -1.123 1
1 314 . 12 1 1 A 29 29 CYS CB C 29 37.938 43.096 -5.158 1
1 315 . 12 1 1 A 29 29 CYS N N 29 125.564 123.822 1.742 1
1 316 . 12 1 1 A 30 30 GLN H H 30 9.664 9.014 0.650 1
1 317 . 12 1 1 A 30 30 GLN HA H 30 3.841 4.592 -0.751 1
1 324 . 12 1 1 A 30 30 GLN C C 30 175.310 175.923 -0.613 1
1 325 . 12 1 1 A 30 30 GLN CA C 30 55.501 54.632 0.869 1
1 326 . 12 1 1 A 30 30 GLN CB C 30 29.943 30.434 -0.491 1
1 328 . 12 1 1 A 30 30 GLN N N 30 127.687 124.484 3.203 1
1 330 . 12 1 1 A 31 31 ALA H H 31 8.728 8.802 -0.074 1
1 331 . 12 1 1 A 31 31 ALA HA H 31 4.052 4.592 -0.540 1
1 335 . 12 1 1 A 31 31 ALA C C 31 178.722 178.711 0.011 1
1 336 . 12 1 1 A 31 31 ALA CA C 31 52.327 52.942 -0.615 1
1 337 . 12 1 1 A 31 31 ALA CB C 31 18.034 19.680 -1.646 1
1 338 . 12 1 1 A 31 31 ALA N N 31 128.680 128.607 0.073 1
1 339 . 12 1 1 A 32 32 TRP H H 32 7.703 8.867 -1.164 1
1 340 . 12 1 1 A 32 32 TRP HA H 32 4.244 4.576 -0.332 1
1 349 . 12 1 1 A 32 32 TRP C C 32 177.566 178.553 -0.987 1
1 350 . 12 1 1 A 32 32 TRP CA C 32 59.531 59.969 -0.438 1
1 351 . 12 1 1 A 32 32 TRP CB C 32 29.953 29.326 0.627 1
1 357 . 12 1 1 A 32 32 TRP N N 32 123.505 124.477 -0.972 1
1 359 . 12 1 1 A 33 33 ASP H H 33 8.797 8.042 0.755 1
1 360 . 12 1 1 A 33 33 ASP HA H 33 4.634 4.730 -0.096 1
1 363 . 12 1 1 A 33 33 ASP C C 33 175.831 175.938 -0.107 1
1 364 . 12 1 1 A 33 33 ASP CA C 33 54.398 55.622 -1.224 1
1 365 . 12 1 1 A 33 33 ASP CB C 33 40.707 41.069 -0.362 1
1 366 . 12 1 1 A 33 33 ASP N N 33 113.424 120.093 -6.669 1
1 367 . 12 1 1 A 34 34 SER H H 34 8.039 7.881 0.158 1
1 368 . 12 1 1 A 34 34 SER HA H 34 4.737 4.783 -0.046 1
1 372 . 12 1 1 A 34 34 SER C C 34 174.096 173.151 0.945 1
1 373 . 12 1 1 A 34 34 SER CA C 34 56.454 56.465 -0.011 1
1 374 . 12 1 1 A 34 34 SER CB C 34 65.137 64.697 0.440 1
1 375 . 12 1 1 A 34 34 SER N N 34 114.429 114.612 -0.183 1
1 376 . 12 1 1 A 35 35 GLN H H 35 8.387 8.644 -0.257 1
1 377 . 12 1 1 A 35 35 GLN HA H 35 4.426 4.090 0.336 1
1 384 . 12 1 1 A 35 35 GLN C C 35 173.518 174.045 -0.527 1
1 385 . 12 1 1 A 35 35 GLN CA C 35 54.020 55.458 -1.438 1
1 386 . 12 1 1 A 35 35 GLN CB C 35 28.804 29.062 -0.258 1
1 388 . 12 1 1 A 35 35 GLN N N 35 123.700 123.817 -0.117 1
1 390 . 12 1 1 A 36 36 SER H H 36 7.746 7.189 0.557 1
1 391 . 12 1 1 A 36 36 SER HA H 36 4.466 4.853 -0.387 1
1 395 . 12 1 1 A 36 36 SER C C 36 172.824 173.126 -0.302 1
1 396 . 12 1 1 A 36 36 SER CA C 36 54.749 55.345 -0.596 1
1 397 . 12 1 1 A 36 36 SER CB C 36 65.162 65.044 0.118 1
1 398 . 12 1 1 A 36 36 SER N N 36 112.974 116.139 -3.165 1
1 399 . 12 1 1 A 37 37 PRO HA H 37 4.382 4.407 -0.025 1
1 406 . 12 1 1 A 37 37 PRO C C 37 176.351 176.018 0.333 1
1 407 . 12 1 1 A 37 37 PRO CA C 37 64.110 63.987 0.123 1
1 408 . 12 1 1 A 37 37 PRO CB C 37 33.670 31.820 1.850 1
1 411 . 12 1 1 A 38 38 HIS H H 38 8.764 7.423 1.341 1
1 412 . 12 1 1 A 38 38 HIS HA H 38 4.897 4.669 0.228 1
1 417 . 12 1 1 A 38 38 HIS C C 38 178.144 174.931 3.213 1
1 418 . 12 1 1 A 38 38 HIS CA C 38 55.580 55.553 0.027 1
1 419 . 12 1 1 A 38 38 HIS CB C 38 30.421 30.840 -0.419 1
1 422 . 12 1 1 A 38 38 HIS N N 38 122.516 116.909 5.607 1
1 423 . 12 1 1 A 39 39 ALA H H 39 8.673 8.495 0.178 1
1 424 . 12 1 1 A 39 39 ALA HA H 39 4.493 4.306 0.187 1
1 428 . 12 1 1 A 39 39 ALA C C 39 178.375 177.274 1.101 1
1 429 . 12 1 1 A 39 39 ALA CA C 39 51.440 52.423 -0.983 1
1 430 . 12 1 1 A 39 39 ALA CB C 39 18.980 19.284 -0.304 1
1 431 . 12 1 1 A 39 39 ALA N N 39 128.546 126.514 2.032 1
1 432 . 12 1 1 A 40 40 HIS H H 40 9.291 8.629 0.662 1
1 433 . 12 1 1 A 40 40 HIS HA H 40 4.734 5.450 -0.716 1
1 439 . 12 1 1 A 40 40 HIS C C 40 175.484 174.771 0.713 1
1 440 . 12 1 1 A 40 40 HIS CA C 40 56.141 53.954 2.187 1
1 441 . 12 1 1 A 40 40 HIS CB C 40 35.545 32.109 3.436 1
1 444 . 12 1 1 A 40 40 HIS N N 40 120.682 116.506 4.176 1
1 445 . 12 1 1 A 41 41 GLY H H 41 9.080 8.756 0.324 1
1 446 . 12 1 1 A 41 41 GLY HA2 H 41 4.602 3.977 0.625 1
1 447 . 12 1 1 A 41 41 GLY HA3 H 41 3.671 4.036 -0.365 1
1 448 . 12 1 1 A 41 41 GLY C C 41 176.409 173.911 2.498 1
1 449 . 12 1 1 A 41 41 GLY CA C 41 44.724 45.403 -0.679 1
1 450 . 12 1 1 A 41 41 GLY N N 41 106.159 108.646 -2.487 1
1 451 . 12 1 1 A 42 42 TYR H H 42 11.980 8.133 3.847 1
1 452 . 12 1 1 A 42 42 TYR HA H 42 4.616 5.097 -0.481 1
1 459 . 12 1 1 A 42 42 TYR C C 42 174.385 175.189 -0.804 1
1 460 . 12 1 1 A 42 42 TYR CA C 42 57.579 56.975 0.604 1
1 461 . 12 1 1 A 42 42 TYR CB C 42 36.198 36.460 -0.262 1
1 466 . 12 1 1 A 42 42 TYR N N 42 133.554 120.443 13.111 1
1 467 . 12 1 1 A 43 43 ILE H H 43 7.120 8.460 -1.340 1
1 468 . 12 1 1 A 43 43 ILE HA H 43 4.630 4.669 -0.039 1
1 478 . 12 1 1 A 43 43 ILE C C 43 177.219 176.113 1.106 1
1 479 . 12 1 1 A 43 43 ILE CA C 43 58.201 58.485 -0.284 1
1 480 . 12 1 1 A 43 43 ILE CB C 43 38.761 37.987 0.774 1
1 484 . 12 1 1 A 43 43 ILE N N 43 118.881 125.348 -6.467 1
1 485 . 12 1 1 A 44 44 PRO HA H 44 4.193 4.398 -0.205 1
1 492 . 12 1 1 A 44 44 PRO C C 44 178.780 178.070 0.710 1
1 493 . 12 1 1 A 44 44 PRO CA C 44 67.061 64.412 2.649 1
1 494 . 12 1 1 A 44 44 PRO CB C 44 32.267 31.935 0.332 1
1 497 . 12 1 1 A 45 45 SER H H 45 7.984 8.325 -0.341 1
1 498 . 12 1 1 A 45 45 SER HA H 45 4.087 4.162 -0.075 1
1 502 . 12 1 1 A 45 45 SER C C 45 176.004 176.217 -0.213 1
1 503 . 12 1 1 A 45 45 SER CA C 45 60.161 61.209 -1.048 1
1 504 . 12 1 1 A 45 45 SER CB C 45 62.260 63.173 -0.913 1
1 505 . 12 1 1 A 45 45 SER N N 45 107.865 113.344 -5.479 1
1 506 . 12 1 1 A 46 46 LYS H H 46 7.769 7.744 0.025 1
1 507 . 12 1 1 A 46 46 LYS HA H 46 3.965 4.220 -0.255 1
1 516 . 12 1 1 A 46 46 LYS C C 46 175.831 176.544 -0.713 1
1 517 . 12 1 1 A 46 46 LYS CA C 46 57.349 57.337 0.012 1
1 518 . 12 1 1 A 46 46 LYS CB C 46 33.283 33.190 0.093 1
1 522 . 12 1 1 A 46 46 LYS N N 46 121.944 116.945 4.999 1
1 523 . 12 1 1 A 47 47 PHE H H 47 7.018 7.634 -0.616 1
1 524 . 12 1 1 A 47 47 PHE HA H 47 5.244 5.115 0.129 1
1 532 . 12 1 1 A 47 47 PHE C C 47 174.790 174.580 0.210 1
1 533 . 12 1 1 A 47 47 PHE CA C 47 54.142 54.740 -0.598 1
1 534 . 12 1 1 A 47 47 PHE CB C 47 39.434 38.736 0.698 1
1 539 . 12 1 1 A 47 47 PHE N N 47 115.480 118.719 -3.239 1
1 540 . 12 1 1 A 48 48 PRO HA H 48 4.472 4.469 0.003 1
1 547 . 12 1 1 A 48 48 PRO C C 48 177.681 178.078 -0.397 1
1 548 . 12 1 1 A 48 48 PRO CA C 48 65.513 64.856 0.657 1
1 549 . 12 1 1 A 48 48 PRO CB C 48 31.712 31.598 0.114 1
1 552 . 12 1 1 A 49 49 ASN H H 49 8.559 8.985 -0.426 1
1 553 . 12 1 1 A 49 49 ASN HA H 49 4.818 4.495 0.323 1
1 558 . 12 1 1 A 49 49 ASN C C 49 175.715 176.581 -0.866 1
1 559 . 12 1 1 A 49 49 ASN CA C 49 53.372 54.847 -1.475 1
1 560 . 12 1 1 A 49 49 ASN CB C 49 37.351 37.062 0.289 1
1 561 . 12 1 1 A 49 49 ASN N N 49 114.836 115.561 -0.725 1
1 563 . 12 1 1 A 50 50 LYS H H 50 7.627 7.528 0.099 1
1 564 . 12 1 1 A 50 50 LYS HA H 50 4.480 4.321 0.159 1
1 573 . 12 1 1 A 50 50 LYS C C 50 175.079 175.812 -0.733 1
1 574 . 12 1 1 A 50 50 LYS CA C 50 53.336 55.927 -2.591 1
1 575 . 12 1 1 A 50 50 LYS CB C 50 31.284 32.257 -0.973 1
1 579 . 12 1 1 A 50 50 LYS N N 50 116.224 117.597 -1.373 1
1 580 . 12 1 1 A 51 51 ASN H H 51 7.945 8.140 -0.195 1
1 581 . 12 1 1 A 51 51 ASN HA H 51 4.304 4.363 -0.059 1
1 586 . 12 1 1 A 51 51 ASN C C 51 175.195 174.203 0.992 1
1 587 . 12 1 1 A 51 51 ASN CA C 51 54.089 53.951 0.138 1
1 588 . 12 1 1 A 51 51 ASN CB C 51 36.504 36.831 -0.327 1
1 589 . 12 1 1 A 51 51 ASN N N 51 115.331 116.831 -1.500 1
1 591 . 12 1 1 A 52 52 LEU H H 52 8.803 7.947 0.856 1
1 592 . 12 1 1 A 52 52 LEU HA H 52 3.412 3.883 -0.471 1
1 602 . 12 1 1 A 52 52 LEU C C 52 174.674 175.521 -0.847 1
1 603 . 12 1 1 A 52 52 LEU CA C 52 53.983 54.169 -0.186 1
1 604 . 12 1 1 A 52 52 LEU CB C 52 42.471 39.993 2.478 1
1 608 . 12 1 1 A 52 52 LEU N N 52 121.765 119.467 2.298 1
1 609 . 12 1 1 A 53 53 LYS H H 53 7.099 8.234 -1.135 1
1 610 . 12 1 1 A 53 53 LYS HA H 53 4.324 4.801 -0.477 1
1 619 . 12 1 1 A 53 53 LYS C C 53 173.460 176.816 -3.356 1
1 620 . 12 1 1 A 53 53 LYS CA C 53 54.843 54.745 0.098 1
1 621 . 12 1 1 A 53 53 LYS CB C 53 36.395 34.714 1.681 1
1 625 . 12 1 1 A 53 53 LYS N N 53 124.403 123.779 0.624 1
1 626 . 12 1 1 A 54 54 LYS H H 54 8.805 8.995 -0.190 1
1 627 . 12 1 1 A 54 54 LYS HA H 54 3.692 3.909 -0.217 1
1 636 . 12 1 1 A 54 54 LYS C C 54 173.344 176.057 -2.713 1
1 637 . 12 1 1 A 54 54 LYS CA C 54 56.366 57.956 -1.590 1
1 638 . 12 1 1 A 54 54 LYS CB C 54 29.830 30.678 -0.848 1
1 642 . 12 1 1 A 54 54 LYS N N 54 118.125 117.621 0.504 1
1 643 . 12 1 1 A 55 55 ASN H H 55 7.567 8.304 -0.737 1
1 644 . 12 1 1 A 55 55 ASN HA H 55 4.643 4.695 -0.052 1
1 649 . 12 1 1 A 55 55 ASN C C 55 172.188 175.031 -2.843 1
1 650 . 12 1 1 A 55 55 ASN CA C 55 51.091 51.563 -0.472 1
1 651 . 12 1 1 A 55 55 ASN CB C 55 37.234 37.561 -0.327 1
1 652 . 12 1 1 A 55 55 ASN N N 55 123.893 121.518 2.375 1
1 654 . 12 1 1 A 56 56 TYR H H 56 7.584 7.562 0.022 1
1 655 . 12 1 1 A 56 56 TYR HA H 56 4.892 4.698 0.194 1
1 662 . 12 1 1 A 56 56 TYR C C 56 177.276 176.363 0.913 1
1 663 . 12 1 1 A 56 56 TYR CA C 56 54.447 58.267 -3.820 1
1 664 . 12 1 1 A 56 56 TYR CB C 56 38.633 39.567 -0.934 1
1 669 . 12 1 1 A 56 56 TYR N N 56 115.237 119.993 -4.756 1
1 670 . 12 1 1 A 57 57 CYS H H 57 9.149 9.493 -0.344 1
1 671 . 12 1 1 A 57 57 CYS HA H 57 4.398 4.740 -0.342 1
1 674 . 12 1 1 A 57 57 CYS C C 57 175.600 174.100 1.500 1
1 675 . 12 1 1 A 57 57 CYS CA C 57 59.824 57.666 2.158 1
1 676 . 12 1 1 A 57 57 CYS CB C 57 48.356 42.900 5.456 1
1 677 . 12 1 1 A 57 57 CYS N N 57 119.273 122.804 -3.531 1
1 678 . 12 1 1 A 58 58 ARG H H 58 9.138 8.387 0.751 1
1 679 . 12 1 1 A 58 58 ARG HA H 58 4.918 5.262 -0.344 1
1 687 . 12 1 1 A 58 58 ARG C C 58 173.576 174.250 -0.674 1
1 688 . 12 1 1 A 58 58 ARG CA C 58 53.187 54.327 -1.140 1
1 689 . 12 1 1 A 58 58 ARG CB C 58 29.412 34.794 -5.382 1
1 692 . 12 1 1 A 58 58 ARG N N 58 122.881 126.259 -3.378 1
1 694 . 12 1 1 A 59 59 ASN H H 59 8.868 8.658 0.210 1
1 695 . 12 1 1 A 59 59 ASN HA H 59 5.513 5.008 0.505 1
1 700 . 12 1 1 A 59 59 ASN C C 59 172.824 174.319 -1.495 1
1 701 . 12 1 1 A 59 59 ASN CA C 59 53.176 50.201 2.975 1
1 702 . 12 1 1 A 59 59 ASN CB C 59 37.237 39.157 -1.920 1
1 703 . 12 1 1 A 59 59 ASN N N 59 113.603 119.278 -5.675 1
1 705 . 12 1 1 A 60 60 PRO HA H 60 4.712 4.349 0.363 1
1 712 . 12 1 1 A 60 60 PRO C C 60 175.715 177.329 -1.614 1
1 713 . 12 1 1 A 60 60 PRO CA C 60 63.643 64.176 -0.533 1
1 714 . 12 1 1 A 60 60 PRO CB C 60 32.507 31.738 0.769 1
1 717 . 12 1 1 A 61 61 ASP H H 61 8.883 7.964 0.919 1
1 718 . 12 1 1 A 61 61 ASP HA H 61 4.495 4.523 -0.028 1
1 721 . 12 1 1 A 61 61 ASP C C 61 174.848 175.446 -0.598 1
1 722 . 12 1 1 A 61 61 ASP CA C 61 51.953 53.117 -1.164 1
1 723 . 12 1 1 A 61 61 ASP CB C 61 42.092 40.186 1.906 1
1 724 . 12 1 1 A 61 61 ASP N N 61 118.660 115.809 2.851 1
1 725 . 12 1 1 A 62 62 ARG H H 62 8.395 7.790 0.605 1
1 726 . 12 1 1 A 62 62 ARG HA H 62 3.789 4.230 -0.441 1
1 734 . 12 1 1 A 62 62 ARG C C 62 176.236 174.665 1.571 1
1 735 . 12 1 1 A 62 62 ARG CA C 62 57.318 56.988 0.330 1
1 736 . 12 1 1 A 62 62 ARG CB C 62 26.990 27.591 -0.601 1
1 739 . 12 1 1 A 62 62 ARG N N 62 116.013 115.124 0.889 1
1 741 . 12 1 1 A 63 63 ASP H H 63 9.735 7.956 1.779 1
1 742 . 12 1 1 A 63 63 ASP HA H 63 4.769 4.605 0.164 1
1 745 . 12 1 1 A 63 63 ASP C C 63 177.334 176.588 0.746 1
1 746 . 12 1 1 A 63 63 ASP CA C 63 51.973 52.987 -1.014 1
1 747 . 12 1 1 A 63 63 ASP CB C 63 42.698 42.744 -0.046 1
1 748 . 12 1 1 A 63 63 ASP N N 63 121.799 117.967 3.832 1
1 749 . 12 1 1 A 64 64 LEU H H 64 10.919 8.779 2.140 1
1 750 . 12 1 1 A 64 64 LEU HA H 64 3.995 4.251 -0.256 1
1 760 . 12 1 1 A 64 64 LEU C C 64 176.467 176.430 0.037 1
1 761 . 12 1 1 A 64 64 LEU CA C 64 57.772 55.863 1.909 1
1 762 . 12 1 1 A 64 64 LEU CB C 64 43.630 43.261 0.369 1
1 766 . 12 1 1 A 64 64 LEU N N 64 121.789 121.899 -0.110 1
1 767 . 12 1 1 A 65 65 ARG H H 65 7.633 7.744 -0.111 1
1 768 . 12 1 1 A 65 65 ARG HA H 65 5.006 4.666 0.340 1
1 776 . 12 1 1 A 65 65 ARG C C 65 172.130 173.950 -1.820 1
1 777 . 12 1 1 A 65 65 ARG CA C 65 53.368 54.508 -1.140 1
1 778 . 12 1 1 A 65 65 ARG CB C 65 28.429 33.864 -5.435 1
1 781 . 12 1 1 A 65 65 ARG N N 65 108.790 118.623 -9.833 1
1 783 . 12 1 1 A 66 66 PRO HA H 66 4.281 4.713 -0.432 1
1 790 . 12 1 1 A 66 66 PRO C C 66 172.940 176.056 -3.116 1
1 791 . 12 1 1 A 66 66 PRO CA C 66 63.677 63.091 0.586 1
1 792 . 12 1 1 A 66 66 PRO CB C 66 32.592 32.978 -0.386 1
1 795 . 12 1 1 A 67 67 TRP H H 67 8.716 8.521 0.195 1
1 796 . 12 1 1 A 67 67 TRP HA H 67 5.406 5.205 0.201 1
1 805 . 12 1 1 A 67 67 TRP C C 67 172.919 173.570 -0.651 1
1 806 . 12 1 1 A 67 67 TRP CA C 67 56.035 55.682 0.353 1
1 807 . 12 1 1 A 67 67 TRP CB C 67 34.026 31.296 2.730 1
1 813 . 12 1 1 A 67 67 TRP N N 67 121.250 117.698 3.552 1
1 815 . 12 1 1 A 68 68 CYS H H 68 8.384 8.890 -0.506 1
1 816 . 12 1 1 A 68 68 CYS HA H 68 4.265 4.679 -0.414 1
1 819 . 12 1 1 A 68 68 CYS C C 68 175.079 172.993 2.086 1
1 820 . 12 1 1 A 68 68 CYS CA C 68 55.876 55.241 0.635 1
1 821 . 12 1 1 A 68 68 CYS CB C 68 42.232 45.967 -3.735 1
1 822 . 12 1 1 A 68 68 CYS N N 68 109.624 117.723 -8.099 1
1 823 . 12 1 1 A 69 69 PHE H H 69 8.031 8.429 -0.398 1
1 824 . 12 1 1 A 69 69 PHE HA H 69 5.420 4.996 0.424 1
1 832 . 12 1 1 A 69 69 PHE C C 69 176.814 175.600 1.214 1
1 833 . 12 1 1 A 69 69 PHE CA C 69 59.299 58.084 1.215 1
1 834 . 12 1 1 A 69 69 PHE CB C 69 38.411 39.796 -1.385 1
1 840 . 12 1 1 A 69 69 PHE N N 69 120.433 121.506 -1.073 1
1 841 . 12 1 1 A 70 70 THR H H 70 8.002 9.146 -1.144 1
1 842 . 12 1 1 A 70 70 THR HA H 70 5.408 4.567 0.841 1
1 848 . 12 1 1 A 70 70 THR C C 70 173.518 175.028 -1.510 1
1 849 . 12 1 1 A 70 70 THR CA C 70 61.208 62.526 -1.318 1
1 850 . 12 1 1 A 70 70 THR CB C 70 70.441 69.786 0.655 1
1 852 . 12 1 1 A 70 70 THR N N 70 112.351 118.822 -6.471 1
1 853 . 12 1 1 A 71 71 THR H H 71 8.126 8.478 -0.352 1
1 854 . 12 1 1 A 71 71 THR HA H 71 4.037 4.498 -0.461 1
1 860 . 12 1 1 A 71 71 THR C C 71 174.903 173.717 1.186 1
1 861 . 12 1 1 A 71 71 THR CA C 71 62.413 63.389 -0.976 1
1 862 . 12 1 1 A 71 71 THR CB C 71 69.167 69.333 -0.166 1
1 864 . 12 1 1 A 71 71 THR N N 71 104.863 120.026 -15.163 1
1 865 . 12 1 1 A 72 72 ASP H H 72 9.024 7.771 1.253 1
1 866 . 12 1 1 A 72 72 ASP HA H 72 4.936 4.854 0.082 1
1 869 . 12 1 1 A 72 72 ASP C C 72 176.929 176.109 0.820 1
1 870 . 12 1 1 A 72 72 ASP CA C 72 51.333 52.145 -0.812 1
1 871 . 12 1 1 A 72 72 ASP CB C 72 43.416 42.132 1.284 1
1 872 . 12 1 1 A 72 72 ASP N N 72 126.242 122.159 4.083 1
1 873 . 12 1 1 A 73 73 PRO HA H 73 3.962 4.229 -0.267 1
1 880 . 12 1 1 A 73 73 PRO C C 73 177.045 178.163 -1.118 1
1 881 . 12 1 1 A 73 73 PRO CA C 73 64.632 65.018 -0.386 1
1 882 . 12 1 1 A 73 73 PRO CB C 73 32.460 31.914 0.546 1
1 885 . 12 1 1 A 74 74 ASN H H 74 8.943 8.129 0.814 1
1 886 . 12 1 1 A 74 74 ASN HA H 74 4.854 4.629 0.225 1
1 891 . 12 1 1 A 74 74 ASN C C 74 174.443 175.177 -0.734 1
1 892 . 12 1 1 A 74 74 ASN CA C 74 53.380 55.474 -2.094 1
1 893 . 12 1 1 A 74 74 ASN CB C 74 39.333 39.090 0.243 1
1 894 . 12 1 1 A 74 74 ASN N N 74 114.144 114.831 -0.687 1
1 896 . 12 1 1 A 75 75 LYS H H 75 7.795 7.620 0.175 1
1 897 . 12 1 1 A 75 75 LYS HA H 75 4.571 4.526 0.045 1
1 906 . 12 1 1 A 75 75 LYS C C 75 173.402 176.191 -2.789 1
1 907 . 12 1 1 A 75 75 LYS CA C 75 54.154 54.914 -0.760 1
1 908 . 12 1 1 A 75 75 LYS CB C 75 32.186 33.878 -1.692 1
1 912 . 12 1 1 A 75 75 LYS N N 75 122.835 118.902 3.933 1
1 913 . 12 1 1 A 76 76 ARG H H 76 9.132 8.811 0.321 1
1 914 . 12 1 1 A 76 76 ARG HA H 76 4.555 3.601 0.954 1
1 922 . 12 1 1 A 76 76 ARG C C 76 175.137 176.096 -0.959 1
1 923 . 12 1 1 A 76 76 ARG CA C 76 60.532 57.498 3.034 1
1 924 . 12 1 1 A 76 76 ARG CB C 76 29.307 31.356 -2.049 1
1 927 . 12 1 1 A 76 76 ARG N N 76 129.676 126.866 2.810 1
1 929 . 12 1 1 A 77 77 TRP H H 77 7.559 7.455 0.104 1
1 930 . 12 1 1 A 77 77 TRP HA H 77 5.357 5.231 0.126 1
1 939 . 12 1 1 A 77 77 TRP C C 77 172.940 174.178 -1.238 1
1 940 . 12 1 1 A 77 77 TRP CA C 77 55.044 55.468 -0.424 1
1 941 . 12 1 1 A 77 77 TRP CB C 77 31.951 32.820 -0.869 1
1 947 . 12 1 1 A 77 77 TRP N N 77 109.174 114.376 -5.202 1
1 949 . 12 1 1 A 78 78 GLU H H 78 8.638 9.106 -0.468 1
1 950 . 12 1 1 A 78 78 GLU HA H 78 3.671 4.673 -1.002 1
1 955 . 12 1 1 A 78 78 GLU C C 78 174.501 175.585 -1.084 1
1 956 . 12 1 1 A 78 78 GLU CA C 78 55.659 54.357 1.302 1
1 957 . 12 1 1 A 78 78 GLU CB C 78 34.557 34.206 0.351 1
1 959 . 12 1 1 A 78 78 GLU N N 78 118.907 119.321 -0.414 1
1 960 . 12 1 1 A 79 79 TYR H H 79 7.636 9.008 -1.372 1
1 961 . 12 1 1 A 79 79 TYR HA H 79 4.995 4.972 0.023 1
1 968 . 12 1 1 A 79 79 TYR C C 79 175.889 175.998 -0.109 1
1 969 . 12 1 1 A 79 79 TYR CA C 79 60.120 58.271 1.849 1
1 970 . 12 1 1 A 79 79 TYR CB C 79 39.789 39.391 0.398 1
1 975 . 12 1 1 A 79 79 TYR N N 79 119.277 119.404 -0.127 1
1 976 . 12 1 1 A 80 80 CYS H H 80 9.398 9.635 -0.237 1
1 977 . 12 1 1 A 80 80 CYS HA H 80 4.720 5.371 -0.651 1
1 980 . 12 1 1 A 80 80 CYS C C 80 172.419 172.282 0.137 1
1 981 . 12 1 1 A 80 80 CYS CA C 80 54.618 54.483 0.135 1
1 982 . 12 1 1 A 80 80 CYS CB C 80 46.736 44.053 2.683 1
1 983 . 12 1 1 A 80 80 CYS N N 80 118.623 120.175 -1.552 1
1 984 . 12 1 1 A 81 81 ASP H H 81 9.729 8.960 0.769 1
1 985 . 12 1 1 A 81 81 ASP HA H 81 4.781 4.761 0.020 1
1 988 . 12 1 1 A 81 81 ASP C C 81 173.576 174.942 -1.366 1
1 989 . 12 1 1 A 81 81 ASP CA C 81 52.855 53.414 -0.559 1
1 990 . 12 1 1 A 81 81 ASP CB C 81 40.733 40.408 0.325 1
1 991 . 12 1 1 A 81 81 ASP N N 81 124.777 126.103 -1.326 1
1 992 . 12 1 1 A 82 82 ILE H H 82 7.820 7.720 0.100 1
1 993 . 12 1 1 A 82 82 ILE HA H 82 4.320 4.532 -0.212 1
1 1003 . 12 1 1 A 82 82 ILE C C 82 173.923 173.822 0.101 1
1 1004 . 12 1 1 A 82 82 ILE CA C 82 56.118 57.189 -1.071 1
1 1005 . 12 1 1 A 82 82 ILE CB C 82 38.166 40.976 -2.810 1
1 1009 . 12 1 1 A 82 82 ILE N N 82 125.281 125.490 -0.209 1
1 1010 . 12 1 1 A 83 83 PRO HA H 83 4.337 4.451 -0.114 1
1 1017 . 12 1 1 A 83 83 PRO C C 83 175.167 175.064 0.103 1
1 1018 . 12 1 1 A 83 83 PRO CA C 83 62.844 63.010 -0.166 1
1 1019 . 12 1 1 A 83 83 PRO CB C 83 32.450 32.576 -0.126 1
1 1022 . 12 1 1 A 84 84 ARG H H 84 8.656 8.681 -0.025 1
1 1023 . 12 1 1 A 84 84 ARG HA H 84 4.658 4.721 -0.063 1
1 1031 . 12 1 1 A 84 84 ARG C C 84 175.137 175.149 -0.012 1
1 1032 . 12 1 1 A 84 84 ARG CA C 84 55.617 54.897 0.720 1
1 1033 . 12 1 1 A 84 84 ARG CB C 84 30.482 33.714 -3.232 1
1 1036 . 12 1 1 A 84 84 ARG N N 84 122.316 123.121 -0.805 1
1 1038 . 12 1 1 A 85 85 CYS H H 85 8.783 9.026 -0.243 1
1 1039 . 12 1 1 A 85 85 CYS HA H 85 4.479 4.892 -0.413 1
1 1042 . 12 1 1 A 85 85 CYS C C 85 174.906 174.194 0.712 1
1 1043 . 12 1 1 A 85 85 CYS CA C 85 54.177 55.092 -0.915 1
1 1044 . 12 1 1 A 85 85 CYS CB C 85 39.574 44.477 -4.903 1
1 1045 . 12 1 1 A 85 85 CYS N N 85 124.002 124.037 -0.035 1
1 1046 . 12 1 1 A 86 86 ALA H H 86 8.746 8.557 0.189 1
1 1047 . 12 1 1 A 86 86 ALA HA H 86 4.255 4.514 -0.259 1
1 1051 . 12 1 1 A 86 86 ALA C C 86 176.236 176.323 -0.087 1
1 1052 . 12 1 1 A 86 86 ALA CA C 86 53.067 52.203 0.864 1
1 1053 . 12 1 1 A 86 86 ALA CB C 86 19.034 19.113 -0.079 1
1 1054 . 12 1 1 A 86 86 ALA N N 86 126.444 124.069 2.375 1
1 1064 . 12 2 2 B 2 2 SER HA H 100 4.570 4.709 -0.139 1
1 1067 . 12 2 2 B 2 2 SER C C 100 174.779 174.454 0.325 1
1 1068 . 12 2 2 B 2 2 SER CA C 100 58.624 56.912 1.712 1
1 1069 . 12 2 2 B 2 2 SER CB C 100 63.939 61.672 2.267 1
1 1070 . 12 2 2 B 3 3 VAL H H 101 8.341 7.725 0.616 1
1 1071 . 12 2 2 B 3 3 VAL HA H 101 4.151 3.825 0.326 1
1 1079 . 12 2 2 B 3 3 VAL C C 101 176.450 176.234 0.216 1
1 1080 . 12 2 2 B 3 3 VAL CA C 101 62.793 63.126 -0.333 1
1 1081 . 12 2 2 B 3 3 VAL CB C 101 32.495 29.505 2.990 1
1 1084 . 12 2 2 B 3 3 VAL N N 101 121.954 120.503 1.451 1
1 1085 . 12 2 2 B 4 4 GLU H H 102 8.521 7.988 0.533 1
1 1086 . 12 2 2 B 4 4 GLU HA H 102 4.291 4.411 -0.120 1
1 1091 . 12 2 2 B 4 4 GLU C C 102 176.450 177.533 -1.083 1
1 1092 . 12 2 2 B 4 4 GLU CA C 102 56.955 57.703 -0.748 1
1 1093 . 12 2 2 B 4 4 GLU CB C 102 30.233 29.570 0.663 1
1 1095 . 12 2 2 B 4 4 GLU N N 102 124.722 123.768 0.954 1
1 1096 . 12 2 2 B 5 5 LYS H H 103 8.323 7.872 0.451 1
1 1097 . 12 2 2 B 5 5 LYS HA H 103 4.313 4.090 0.223 1
1 1106 . 12 2 2 B 5 5 LYS C C 103 176.784 178.822 -2.038 1
1 1107 . 12 2 2 B 5 5 LYS CA C 103 56.688 58.467 -1.779 1
1 1108 . 12 2 2 B 5 5 LYS CB C 103 30.228 32.050 -1.822 1
1 1112 . 12 2 2 B 5 5 LYS N N 103 122.689 120.243 2.446 1
1 1113 . 12 2 2 B 6 6 LEU H H 104 8.369 7.674 0.695 1
1 1114 . 12 2 2 B 6 6 LEU HA H 104 4.500 4.256 0.244 1
1 1124 . 12 2 2 B 6 6 LEU C C 104 177.632 177.315 0.317 1
1 1125 . 12 2 2 B 6 6 LEU CA C 104 55.480 55.869 -0.389 1
1 1126 . 12 2 2 B 6 6 LEU CB C 104 42.587 42.494 0.093 1
1 1130 . 12 2 2 B 6 6 LEU N N 104 123.373 118.088 5.285 1
1 1131 . 12 2 2 B 7 7 THR HA H 105 4.558 4.319 0.239 1
1 1137 . 12 2 2 B 7 7 THR C C 105 175.614 175.784 -0.170 1
1 1138 . 12 2 2 B 7 7 THR CA C 105 62.000 63.740 -1.740 1
1 1139 . 12 2 2 B 7 7 THR CB C 105 70.090 68.904 1.186 1
1 1141 . 12 2 2 B 8 8 ALA H H 106 8.649 9.035 -0.386 1
1 1142 . 12 2 2 B 8 8 ALA HA H 106 4.458 4.004 0.454 1
1 1146 . 12 2 2 B 8 8 ALA C C 106 179.290 179.576 -0.286 1
1 1147 . 12 2 2 B 8 8 ALA CA C 106 55.552 55.680 -0.128 1
1 1148 . 12 2 2 B 8 8 ALA CB C 106 18.704 18.100 0.604 1
1 1149 . 12 2 2 B 8 8 ALA N N 106 124.857 129.001 -4.144 1
1 1150 . 12 2 2 B 9 9 ASP H H 107 8.286 8.352 -0.066 1
1 1151 . 12 2 2 B 9 9 ASP HA H 107 4.457 4.451 0.006 1
1 1154 . 12 2 2 B 9 9 ASP C C 107 178.845 178.444 0.401 1
1 1155 . 12 2 2 B 9 9 ASP CA C 107 57.733 56.417 1.316 1
1 1156 . 12 2 2 B 9 9 ASP CB C 107 40.881 40.304 0.577 1
1 1157 . 12 2 2 B 9 9 ASP N N 107 115.621 119.106 -3.485 1
1 1158 . 12 2 2 B 10 10 ALA H H 108 7.887 8.112 -0.225 1
1 1159 . 12 2 2 B 10 10 ALA HA H 108 4.182 4.226 -0.044 1
1 1163 . 12 2 2 B 10 10 ALA C C 108 180.906 179.749 1.157 1
1 1164 . 12 2 2 B 10 10 ALA CA C 108 55.014 54.907 0.107 1
1 1165 . 12 2 2 B 10 10 ALA CB C 108 18.631 18.180 0.451 1
1 1166 . 12 2 2 B 10 10 ALA N N 108 122.756 122.839 -0.083 1
1 1167 . 12 2 2 B 11 11 GLU H H 109 8.390 8.211 0.179 1
1 1168 . 12 2 2 B 11 11 GLU HA H 109 4.256 4.134 0.122 1
1 1173 . 12 2 2 B 11 11 GLU C C 109 178.678 179.058 -0.380 1
1 1174 . 12 2 2 B 11 11 GLU CA C 109 59.105 58.738 0.367 1
1 1175 . 12 2 2 B 11 11 GLU CB C 109 29.559 29.480 0.079 1
1 1177 . 12 2 2 B 11 11 GLU N N 109 121.999 118.912 3.087 1
1 1178 . 12 2 2 B 12 12 LEU H H 110 8.395 8.108 0.287 1
1 1179 . 12 2 2 B 12 12 LEU HA H 110 3.808 4.004 -0.196 1
1 1189 . 12 2 2 B 12 12 LEU C C 110 178.288 178.751 -0.463 1
1 1190 . 12 2 2 B 12 12 LEU CA C 110 58.407 58.007 0.400 1
1 1191 . 12 2 2 B 12 12 LEU CB C 110 41.329 41.093 0.236 1
1 1195 . 12 2 2 B 12 12 LEU N N 110 119.939 120.537 -0.598 1
1 1196 . 12 2 2 B 13 13 GLN H H 111 7.761 8.572 -0.811 1
1 1197 . 12 2 2 B 13 13 GLN HA H 111 4.008 3.949 0.059 1
1 1202 . 12 2 2 B 13 13 GLN C C 111 177.954 178.321 -0.367 1
1 1203 . 12 2 2 B 13 13 GLN CA C 111 58.674 59.450 -0.776 1
1 1204 . 12 2 2 B 13 13 GLN CB C 111 28.513 28.323 0.190 1
1 1206 . 12 2 2 B 13 13 GLN N N 111 117.305 119.037 -1.732 1
1 1207 . 12 2 2 B 14 14 ARG H H 112 7.752 8.010 -0.258 1
1 1208 . 12 2 2 B 14 14 ARG HA H 112 4.053 4.143 -0.090 1
1 1216 . 12 2 2 B 14 14 ARG C C 112 179.625 179.117 0.508 1
1 1217 . 12 2 2 B 14 14 ARG CA C 112 59.770 59.300 0.470 1
1 1218 . 12 2 2 B 14 14 ARG CB C 112 29.884 30.104 -0.220 1
1 1221 . 12 2 2 B 14 14 ARG N N 112 121.241 120.342 0.899 1
1 1223 . 12 2 2 B 15 15 LEU H H 113 8.478 8.831 -0.353 1
1 1224 . 12 2 2 B 15 15 LEU HA H 113 3.974 3.981 -0.007 1
1 1234 . 12 2 2 B 15 15 LEU C C 113 180.627 179.220 1.407 1
1 1235 . 12 2 2 B 15 15 LEU CA C 113 58.251 58.039 0.212 1
1 1236 . 12 2 2 B 15 15 LEU CB C 113 41.751 41.736 0.015 1
1 1240 . 12 2 2 B 15 15 LEU N N 113 120.898 119.600 1.298 1
1 1241 . 12 2 2 B 16 16 LYS H H 114 8.437 8.213 0.224 1
1 1242 . 12 2 2 B 16 16 LYS HA H 114 3.368 3.934 -0.566 1
1 1251 . 12 2 2 B 16 16 LYS C C 114 178.288 179.115 -0.827 1
1 1252 . 12 2 2 B 16 16 LYS CA C 114 60.242 59.943 0.299 1
1 1253 . 12 2 2 B 16 16 LYS CB C 114 30.249 32.185 -1.936 1
1 1257 . 12 2 2 B 16 16 LYS N N 114 123.214 120.548 2.666 1
1 1258 . 12 2 2 B 17 17 ASN H H 115 8.137 8.529 -0.392 1
1 1259 . 12 2 2 B 17 17 ASN HA H 115 4.270 4.600 -0.330 1
1 1264 . 12 2 2 B 17 17 ASN C C 115 178.288 177.817 0.471 1
1 1265 . 12 2 2 B 17 17 ASN CA C 115 56.318 56.649 -0.331 1
1 1266 . 12 2 2 B 17 17 ASN CB C 115 37.573 37.774 -0.201 1
1 1267 . 12 2 2 B 17 17 ASN N N 115 117.923 118.200 -0.277 1
1 1269 . 12 2 2 B 18 18 GLU H H 116 8.110 8.813 -0.703 1
1 1270 . 12 2 2 B 18 18 GLU HA H 116 4.146 4.018 0.128 1
1 1275 . 12 2 2 B 18 18 GLU C C 116 178.956 178.993 -0.037 1
1 1276 . 12 2 2 B 18 18 GLU CA C 116 59.659 59.714 -0.055 1
1 1277 . 12 2 2 B 18 18 GLU CB C 116 29.950 29.503 0.447 1
1 1279 . 12 2 2 B 18 18 GLU N N 116 120.249 120.012 0.237 1
1 1280 . 12 2 2 B 19 19 ARG H H 117 7.925 8.254 -0.329 1
1 1281 . 12 2 2 B 19 19 ARG HA H 117 4.057 4.023 0.034 1
1 1289 . 12 2 2 B 19 19 ARG C C 117 180.070 179.145 0.925 1
1 1290 . 12 2 2 B 19 19 ARG CA C 117 59.564 59.347 0.217 1
1 1291 . 12 2 2 B 19 19 ARG CB C 117 29.879 29.701 0.178 1
1 1294 . 12 2 2 B 19 19 ARG N N 117 119.801 118.598 1.203 1
1 1296 . 12 2 2 B 20 20 HIS H H 118 8.316 7.915 0.401 1
1 1297 . 12 2 2 B 20 20 HIS HA H 118 4.574 4.314 0.260 1
1 1304 . 12 2 2 B 20 20 HIS C C 118 176.784 177.988 -1.204 1
1 1305 . 12 2 2 B 20 20 HIS CA C 118 58.397 59.071 -0.674 1
1 1306 . 12 2 2 B 20 20 HIS CB C 118 29.343 29.780 -0.437 1
1 1309 . 12 2 2 B 20 20 HIS N N 118 117.802 118.833 -1.031 1
1 1310 . 12 2 2 B 21 21 GLU H H 119 8.400 8.361 0.039 1
1 1311 . 12 2 2 B 21 21 GLU HA H 119 4.268 4.132 0.136 1
1 1316 . 12 2 2 B 21 21 GLU C C 119 178.566 179.350 -0.784 1
1 1317 . 12 2 2 B 21 21 GLU CA C 119 59.105 59.932 -0.827 1
1 1318 . 12 2 2 B 21 21 GLU CB C 119 29.559 29.301 0.258 1
1 1320 . 12 2 2 B 21 21 GLU N N 119 121.996 120.445 1.551 1
1 1321 . 12 2 2 B 22 22 GLU H H 120 8.285 8.888 -0.603 1
1 1322 . 12 2 2 B 22 22 GLU HA H 120 4.204 4.029 0.175 1
1 1327 . 12 2 2 B 22 22 GLU C C 120 178.288 179.070 -0.782 1
1 1328 . 12 2 2 B 22 22 GLU CA C 120 58.841 59.266 -0.425 1
1 1329 . 12 2 2 B 22 22 GLU CB C 120 29.322 29.355 -0.033 1
1 1331 . 12 2 2 B 22 22 GLU N N 120 119.798 120.925 -1.127 1
1 1332 . 12 2 2 B 23 23 ALA H H 121 8.037 8.535 -0.498 1
1 1333 . 12 2 2 B 23 23 ALA HA H 121 4.270 4.033 0.237 1
1 1337 . 12 2 2 B 23 23 ALA C C 121 179.569 179.887 -0.318 1
1 1338 . 12 2 2 B 23 23 ALA CA C 121 54.158 54.727 -0.569 1
1 1339 . 12 2 2 B 23 23 ALA CB C 121 18.923 18.345 0.578 1
1 1340 . 12 2 2 B 23 23 ALA N N 121 122.418 122.321 0.097 1
1 1341 . 12 2 2 B 24 24 GLU H H 122 8.039 7.549 0.490 1
1 1342 . 12 2 2 B 24 24 GLU HA H 122 4.291 4.008 0.283 1
1 1347 . 12 2 2 B 24 24 GLU C C 122 177.954 179.735 -1.781 1
1 1348 . 12 2 2 B 24 24 GLU CA C 122 58.023 59.443 -1.420 1
1 1349 . 12 2 2 B 24 24 GLU CB C 122 29.566 30.374 -0.808 1
1 1351 . 12 2 2 B 24 24 GLU N N 122 119.517 118.228 1.289 1
1 1352 . 12 2 2 B 25 25 LEU H H 123 7.962 8.753 -0.791 1
1 1353 . 12 2 2 B 25 25 LEU HA H 123 4.226 4.008 0.218 1
1 1363 . 12 2 2 B 25 25 LEU C C 123 179.123 179.066 0.057 1
1 1364 . 12 2 2 B 25 25 LEU CA C 123 57.213 58.087 -0.874 1
1 1365 . 12 2 2 B 25 25 LEU CB C 123 41.809 41.579 0.230 1
1 1369 . 12 2 2 B 25 25 LEU N N 123 120.617 120.649 -0.032 1
1 1370 . 12 2 2 B 26 26 GLU H H 124 8.093 8.667 -0.574 1
1 1371 . 12 2 2 B 26 26 GLU HA H 124 4.140 3.960 0.180 1
1 1376 . 12 2 2 B 26 26 GLU C C 124 177.954 178.685 -0.731 1
1 1377 . 12 2 2 B 26 26 GLU CA C 124 58.095 59.617 -1.522 1
1 1378 . 12 2 2 B 26 26 GLU CB C 124 29.910 28.953 0.957 1
1 1380 . 12 2 2 B 26 26 GLU N N 124 119.473 120.041 -0.568 1
1 1381 . 12 2 2 B 27 27 ARG H H 125 7.954 7.848 0.106 1
1 1382 . 12 2 2 B 27 27 ARG HA H 125 4.210 4.096 0.114 1
1 1390 . 12 2 2 B 27 27 ARG C C 125 177.619 178.485 -0.866 1
1 1391 . 12 2 2 B 27 27 ARG CA C 125 57.677 59.127 -1.450 1
1 1392 . 12 2 2 B 27 27 ARG CB C 125 30.374 30.014 0.360 1
1 1395 . 12 2 2 B 27 27 ARG N N 125 120.670 120.158 0.512 1
1 1397 . 12 2 2 B 28 28 LEU H H 126 8.038 8.477 -0.439 1
1 1398 . 12 2 2 B 28 28 LEU HA H 126 4.270 4.137 0.133 1
1 1408 . 12 2 2 B 28 28 LEU C C 126 178.065 178.285 -0.220 1
1 1409 . 12 2 2 B 28 28 LEU CA C 126 56.096 57.576 -1.480 1
1 1410 . 12 2 2 B 28 28 LEU CB C 126 42.252 41.553 0.699 1
1 1414 . 12 2 2 B 28 28 LEU N N 126 120.818 121.182 -0.364 1
1 1415 . 12 2 2 B 29 29 LYS H H 127 7.944 8.020 -0.076 1
1 1416 . 12 2 2 B 29 29 LYS HA H 127 4.270 4.053 0.217 1
1 1425 . 12 2 2 B 29 29 LYS C C 127 176.951 176.253 0.698 1
1 1426 . 12 2 2 B 29 29 LYS CA C 127 57.168 59.609 -2.441 1
1 1427 . 12 2 2 B 29 29 LYS CB C 127 32.755 32.262 0.493 1
1 1431 . 12 2 2 B 29 29 LYS N N 127 119.960 119.771 0.189 1
1 1432 . 12 2 2 B 30 30 SER H H 128 8.030 7.870 0.160 1
1 1433 . 12 2 2 B 30 30 SER HA H 128 4.466 4.243 0.223 1
1 1436 . 12 2 2 B 30 30 SER C C 128 176.101 173.790 2.311 1
1 1437 . 12 2 2 B 30 30 SER CA C 128 58.590 60.519 -1.929 1
1 1438 . 12 2 2 B 30 30 SER CB C 128 63.939 61.646 2.293 1
1 1439 . 12 2 2 B 30 30 SER N N 128 115.496 113.663 1.833 1
1 1440 . 12 2 2 B 31 31 GLU H H 129 8.157 8.377 -0.220 1
1 1441 . 12 2 2 B 31 31 GLU HA H 129 4.291 4.699 -0.408 1
1 1446 . 12 2 2 B 31 31 GLU C C 129 175.112 174.925 0.187 1
1 1447 . 12 2 2 B 31 31 GLU CA C 129 56.654 55.620 1.034 1
1 1448 . 12 2 2 B 31 31 GLU CB C 129 30.389 29.466 0.923 1
1 1450 . 12 2 2 B 31 31 GLU N N 129 122.569 123.318 -0.749 1
1 1 . 13 1 1 A 2 2 VAL H H 2 7.944 7.861 0.083 1
1 2 . 13 1 1 A 2 2 VAL HA H 2 4.035 4.122 -0.087 1
1 10 . 13 1 1 A 2 2 VAL C C 2 174.807 175.780 -0.973 1
1 11 . 13 1 1 A 2 2 VAL CA C 2 61.947 62.545 -0.598 1
1 12 . 13 1 1 A 2 2 VAL CB C 2 33.175 31.430 1.745 1
1 15 . 13 1 1 A 2 2 VAL N N 2 123.960 117.485 6.475 1
1 16 . 13 1 1 A 3 3 GLU H H 3 8.465 8.879 -0.414 1
1 17 . 13 1 1 A 3 3 GLU HA H 3 4.168 4.293 -0.125 1
1 22 . 13 1 1 A 3 3 GLU C C 3 175.888 177.018 -1.130 1
1 23 . 13 1 1 A 3 3 GLU CA C 3 56.487 59.426 -2.939 1
1 24 . 13 1 1 A 3 3 GLU CB C 3 30.349 30.436 -0.087 1
1 26 . 13 1 1 A 3 3 GLU N N 3 125.549 127.675 -2.126 1
1 27 . 13 1 1 A 4 4 PHE H H 4 8.330 8.002 0.328 1
1 28 . 13 1 1 A 4 4 PHE HA H 4 4.651 4.768 -0.117 1
1 36 . 13 1 1 A 4 4 PHE C C 4 175.550 174.600 0.950 1
1 37 . 13 1 1 A 4 4 PHE CA C 4 57.827 56.142 1.685 1
1 38 . 13 1 1 A 4 4 PHE CB C 4 39.623 39.156 0.467 1
1 44 . 13 1 1 A 4 4 PHE N N 4 121.869 120.523 1.346 1
1 45 . 13 1 1 A 5 5 SER H H 5 8.177 8.552 -0.375 1
1 46 . 13 1 1 A 5 5 SER HA H 5 4.395 4.444 -0.049 1
1 49 . 13 1 1 A 5 5 SER C C 5 173.996 173.242 0.754 1
1 50 . 13 1 1 A 5 5 SER CA C 5 58.045 59.134 -1.089 1
1 51 . 13 1 1 A 5 5 SER CB C 5 64.050 65.305 -1.255 1
1 52 . 13 1 1 A 5 5 SER N N 5 117.865 122.398 -4.533 1
1 53 . 13 1 1 A 6 6 GLU H H 6 8.425 7.923 0.502 1
1 54 . 13 1 1 A 6 6 GLU HA H 6 4.290 4.658 -0.368 1
1 59 . 13 1 1 A 6 6 GLU C C 6 176.699 175.286 1.413 1
1 60 . 13 1 1 A 6 6 GLU CA C 6 56.479 55.139 1.340 1
1 61 . 13 1 1 A 6 6 GLU CB C 6 30.715 30.522 0.193 1
1 63 . 13 1 1 A 6 6 GLU N N 6 122.791 117.907 4.884 1
1 64 . 13 1 1 A 7 7 GLU H H 7 8.421 8.715 -0.294 1
1 65 . 13 1 1 A 7 7 GLU HA H 7 4.742 4.610 0.132 1
1 70 . 13 1 1 A 7 7 GLU C C 7 175.145 174.925 0.220 1
1 71 . 13 1 1 A 7 7 GLU CA C 7 55.617 55.857 -0.240 1
1 72 . 13 1 1 A 7 7 GLU CB C 7 29.095 30.698 -1.603 1
1 74 . 13 1 1 A 7 7 GLU N N 7 122.775 122.639 0.136 1
1 75 . 13 1 1 A 8 8 CYS H H 8 7.917 8.515 -0.598 1
1 76 . 13 1 1 A 8 8 CYS HA H 8 4.969 5.763 -0.794 1
1 79 . 13 1 1 A 8 8 CYS C C 8 171.610 171.504 0.106 1
1 80 . 13 1 1 A 8 8 CYS CA C 8 53.880 54.025 -0.145 1
1 81 . 13 1 1 A 8 8 CYS CB C 8 43.144 46.002 -2.858 1
1 82 . 13 1 1 A 8 8 CYS N N 8 115.067 118.189 -3.122 1
1 83 . 13 1 1 A 9 9 MET H H 9 9.379 9.102 0.277 1
1 84 . 13 1 1 A 9 9 MET HA H 9 5.049 5.280 -0.231 1
1 89 . 13 1 1 A 9 9 MET C C 9 174.038 175.191 -1.153 1
1 90 . 13 1 1 A 9 9 MET CA C 9 53.312 54.319 -1.007 1
1 91 . 13 1 1 A 9 9 MET CB C 9 36.165 35.728 0.437 1
1 93 . 13 1 1 A 9 9 MET N N 9 117.763 122.240 -4.477 1
1 94 . 13 1 1 A 10 10 HIS H H 10 9.610 8.706 0.904 1
1 95 . 13 1 1 A 10 10 HIS HA H 10 4.877 4.651 0.226 1
1 102 . 13 1 1 A 10 10 HIS C C 10 176.698 175.363 1.335 1
1 103 . 13 1 1 A 10 10 HIS CA C 10 55.016 57.676 -2.660 1
1 104 . 13 1 1 A 10 10 HIS CB C 10 31.116 29.532 1.584 1
1 107 . 13 1 1 A 10 10 HIS N N 10 124.293 124.899 -0.606 1
1 108 . 13 1 1 A 11 11 GLY H H 11 9.249 8.759 0.490 1
1 109 . 13 1 1 A 11 11 GLY HA2 H 11 4.104 3.560 0.544 1
1 110 . 13 1 1 A 11 11 GLY HA3 H 11 3.843 3.599 0.244 1
1 111 . 13 1 1 A 11 11 GLY C C 11 174.559 174.539 0.020 1
1 112 . 13 1 1 A 11 11 GLY CA C 11 47.652 45.411 2.241 1
1 113 . 13 1 1 A 11 11 GLY N N 11 115.224 115.520 -0.296 1
1 114 . 13 1 1 A 12 12 SER H H 12 8.999 8.749 0.250 1
1 115 . 13 1 1 A 12 12 SER HA H 12 4.653 4.555 0.098 1
1 118 . 13 1 1 A 12 12 SER C C 12 176.178 174.658 1.520 1
1 119 . 13 1 1 A 12 12 SER CA C 12 57.731 58.215 -0.484 1
1 120 . 13 1 1 A 12 12 SER CB C 12 63.439 63.971 -0.532 1
1 121 . 13 1 1 A 12 12 SER N N 12 121.965 120.744 1.221 1
1 122 . 13 1 1 A 13 13 GLY H H 13 9.022 7.867 1.155 1
1 123 . 13 1 1 A 13 13 GLY HA2 H 13 4.052 3.910 0.142 1
1 124 . 13 1 1 A 13 13 GLY HA3 H 13 3.957 3.981 -0.024 1
1 125 . 13 1 1 A 13 13 GLY C C 13 176.178 174.864 1.314 1
1 126 . 13 1 1 A 13 13 GLY CA C 13 47.972 45.485 2.487 1
1 127 . 13 1 1 A 13 13 GLY N N 13 109.294 109.056 0.238 1
1 128 . 13 1 1 A 14 14 GLU H H 14 9.552 8.064 1.488 1
1 129 . 13 1 1 A 14 14 GLU HA H 14 4.347 4.387 -0.040 1
1 134 . 13 1 1 A 14 14 GLU C C 14 177.045 178.006 -0.961 1
1 135 . 13 1 1 A 14 14 GLU CA C 14 60.282 58.770 1.512 1
1 136 . 13 1 1 A 14 14 GLU CB C 14 29.145 29.565 -0.420 1
1 138 . 13 1 1 A 14 14 GLU N N 14 123.736 121.959 1.777 1
1 139 . 13 1 1 A 15 15 ASN H H 15 8.425 7.826 0.599 1
1 140 . 13 1 1 A 15 15 ASN HA H 15 5.030 4.861 0.169 1
1 144 . 13 1 1 A 15 15 ASN C C 15 174.848 174.870 -0.022 1
1 145 . 13 1 1 A 15 15 ASN CA C 15 51.725 52.638 -0.913 1
1 146 . 13 1 1 A 15 15 ASN CB C 15 38.404 38.575 -0.171 1
1 147 . 13 1 1 A 15 15 ASN N N 15 112.918 116.392 -3.474 1
1 150 . 13 1 1 A 16 16 TYR H H 16 7.622 7.641 -0.019 1
1 151 . 13 1 1 A 16 16 TYR HA H 16 4.445 4.396 0.049 1
1 159 . 13 1 1 A 16 16 TYR C C 16 175.773 175.795 -0.022 1
1 160 . 13 1 1 A 16 16 TYR CA C 16 60.125 59.755 0.370 1
1 161 . 13 1 1 A 16 16 TYR CB C 16 38.590 39.283 -0.693 1
1 166 . 13 1 1 A 16 16 TYR N N 16 121.437 121.765 -0.328 1
1 167 . 13 1 1 A 17 17 ASP H H 17 8.722 8.490 0.232 1
1 168 . 13 1 1 A 17 17 ASP HA H 17 4.599 4.785 -0.186 1
1 171 . 13 1 1 A 17 17 ASP C C 17 175.748 176.446 -0.698 1
1 172 . 13 1 1 A 17 17 ASP CA C 17 52.327 52.989 -0.662 1
1 173 . 13 1 1 A 17 17 ASP CB C 17 42.265 41.069 1.196 1
1 174 . 13 1 1 A 17 17 ASP N N 17 130.345 125.290 5.055 1
1 175 . 13 1 1 A 18 18 GLY H H 18 4.504 6.795 -2.291 1
1 176 . 13 1 1 A 18 18 GLY HA2 H 18 4.092 3.355 0.737 1
1 177 . 13 1 1 A 18 18 GLY HA3 H 18 3.786 3.712 0.074 1
1 178 . 13 1 1 A 18 18 GLY C C 18 174.732 174.005 0.727 1
1 179 . 13 1 1 A 18 18 GLY CA C 18 44.739 44.272 0.467 1
1 180 . 13 1 1 A 18 18 GLY N N 18 104.445 108.108 -3.663 1
1 181 . 13 1 1 A 19 19 LYS H H 19 9.272 8.433 0.839 1
1 182 . 13 1 1 A 19 19 LYS HA H 19 3.248 2.958 0.290 1
1 191 . 13 1 1 A 19 19 LYS C C 19 176.409 176.335 0.074 1
1 192 . 13 1 1 A 19 19 LYS CA C 19 55.454 55.492 -0.038 1
1 193 . 13 1 1 A 19 19 LYS CB C 19 32.499 31.976 0.523 1
1 197 . 13 1 1 A 19 19 LYS N N 19 117.569 118.814 -1.245 1
1 198 . 13 1 1 A 20 20 ILE H H 20 7.559 7.128 0.431 1
1 199 . 13 1 1 A 20 20 ILE HA H 20 3.991 4.024 -0.033 1
1 209 . 13 1 1 A 20 20 ILE C C 20 176.756 176.877 -0.121 1
1 210 . 13 1 1 A 20 20 ILE CA C 20 64.261 62.154 2.107 1
1 211 . 13 1 1 A 20 20 ILE CB C 20 36.212 37.593 -1.381 1
1 215 . 13 1 1 A 20 20 ILE N N 20 122.778 122.049 0.729 1
1 216 . 13 1 1 A 21 21 SER H H 21 8.817 8.940 -0.123 1
1 217 . 13 1 1 A 21 21 SER HA H 21 5.128 4.991 0.137 1
1 220 . 13 1 1 A 21 21 SER C C 21 172.708 173.729 -1.021 1
1 221 . 13 1 1 A 21 21 SER CA C 21 57.513 57.559 -0.046 1
1 222 . 13 1 1 A 21 21 SER CB C 21 65.126 64.844 0.282 1
1 223 . 13 1 1 A 21 21 SER N N 21 122.859 120.078 2.781 1
1 224 . 13 1 1 A 22 22 LYS H H 22 7.150 7.776 -0.626 1
1 225 . 13 1 1 A 22 22 LYS HA H 22 5.530 5.518 0.012 1
1 234 . 13 1 1 A 22 22 LYS C C 22 176.120 176.842 -0.722 1
1 235 . 13 1 1 A 22 22 LYS CA C 22 53.471 54.750 -1.279 1
1 236 . 13 1 1 A 22 22 LYS CB C 22 37.049 35.432 1.617 1
1 240 . 13 1 1 A 22 22 LYS N N 22 119.681 121.007 -1.326 1
1 241 . 13 1 1 A 23 23 THR H H 23 9.134 9.160 -0.026 1
1 242 . 13 1 1 A 23 23 THR HA H 23 4.630 4.702 -0.072 1
1 248 . 13 1 1 A 23 23 THR C C 23 177.971 176.134 1.837 1
1 249 . 13 1 1 A 23 23 THR CA C 23 61.032 60.857 0.175 1
1 250 . 13 1 1 A 23 23 THR CB C 23 70.818 71.451 -0.633 1
1 252 . 13 1 1 A 23 23 THR N N 23 111.072 114.982 -3.910 1
1 253 . 13 1 1 A 24 24 MET H H 24 9.383 9.168 0.215 1
1 254 . 13 1 1 A 24 24 MET HA H 24 4.168 4.244 -0.076 1
1 259 . 13 1 1 A 24 24 MET C C 24 176.122 177.129 -1.007 1
1 260 . 13 1 1 A 24 24 MET CA C 24 58.704 57.332 1.372 1
1 261 . 13 1 1 A 24 24 MET CB C 24 32.546 32.630 -0.084 1
1 263 . 13 1 1 A 24 24 MET N N 24 118.120 119.906 -1.786 1
1 264 . 13 1 1 A 25 25 SER H H 25 7.763 7.491 0.272 1
1 265 . 13 1 1 A 25 25 SER HA H 25 4.575 4.576 -0.001 1
1 269 . 13 1 1 A 25 25 SER C C 25 174.848 174.574 0.274 1
1 270 . 13 1 1 A 25 25 SER CA C 25 58.895 58.661 0.234 1
1 271 . 13 1 1 A 25 25 SER CB C 25 62.844 64.234 -1.390 1
1 272 . 13 1 1 A 25 25 SER N N 25 113.626 113.822 -0.196 1
1 273 . 13 1 1 A 26 26 GLY H H 26 8.136 8.077 0.059 1
1 274 . 13 1 1 A 26 26 GLY HA2 H 26 4.305 3.968 0.337 1
1 275 . 13 1 1 A 26 26 GLY HA3 H 26 3.503 3.974 -0.471 1
1 276 . 13 1 1 A 26 26 GLY C C 26 174.212 174.479 -0.267 1
1 277 . 13 1 1 A 26 26 GLY CA C 26 45.125 45.916 -0.791 1
1 278 . 13 1 1 A 26 26 GLY N N 26 110.819 110.412 0.407 1
1 279 . 13 1 1 A 27 27 LEU H H 27 7.183 8.405 -1.222 1
1 280 . 13 1 1 A 27 27 LEU HA H 27 4.319 4.595 -0.276 1
1 290 . 13 1 1 A 27 27 LEU C C 27 176.178 176.261 -0.083 1
1 291 . 13 1 1 A 27 27 LEU CA C 27 54.211 54.272 -0.061 1
1 292 . 13 1 1 A 27 27 LEU CB C 27 42.260 42.706 -0.446 1
1 296 . 13 1 1 A 27 27 LEU N N 27 120.765 122.292 -1.527 1
1 297 . 13 1 1 A 28 28 GLU H H 28 8.699 8.649 0.050 1
1 298 . 13 1 1 A 28 28 GLU HA H 28 4.506 4.648 -0.142 1
1 303 . 13 1 1 A 28 28 GLU C C 28 177.161 176.312 0.849 1
1 304 . 13 1 1 A 28 28 GLU CA C 28 56.451 55.533 0.918 1
1 305 . 13 1 1 A 28 28 GLU CB C 28 30.018 30.883 -0.865 1
1 307 . 13 1 1 A 28 28 GLU N N 28 122.582 120.983 1.599 1
1 308 . 13 1 1 A 29 29 CYS H H 29 8.624 9.055 -0.431 1
1 309 . 13 1 1 A 29 29 CYS HA H 29 4.812 4.927 -0.115 1
1 312 . 13 1 1 A 29 29 CYS C C 29 177.045 173.166 3.879 1
1 313 . 13 1 1 A 29 29 CYS CA C 29 55.189 56.414 -1.225 1
1 314 . 13 1 1 A 29 29 CYS CB C 29 37.938 42.969 -5.031 1
1 315 . 13 1 1 A 29 29 CYS N N 29 125.564 122.879 2.685 1
1 316 . 13 1 1 A 30 30 GLN H H 30 9.664 9.094 0.570 1
1 317 . 13 1 1 A 30 30 GLN HA H 30 3.841 4.523 -0.682 1
1 324 . 13 1 1 A 30 30 GLN C C 30 175.310 176.022 -0.712 1
1 325 . 13 1 1 A 30 30 GLN CA C 30 55.501 54.770 0.731 1
1 326 . 13 1 1 A 30 30 GLN CB C 30 29.943 30.027 -0.084 1
1 328 . 13 1 1 A 30 30 GLN N N 30 127.687 125.347 2.340 1
1 330 . 13 1 1 A 31 31 ALA H H 31 8.728 8.807 -0.079 1
1 331 . 13 1 1 A 31 31 ALA HA H 31 4.052 4.580 -0.528 1
1 335 . 13 1 1 A 31 31 ALA C C 31 178.722 178.779 -0.057 1
1 336 . 13 1 1 A 31 31 ALA CA C 31 52.327 52.877 -0.550 1
1 337 . 13 1 1 A 31 31 ALA CB C 31 18.034 19.486 -1.452 1
1 338 . 13 1 1 A 31 31 ALA N N 31 128.680 128.711 -0.031 1
1 339 . 13 1 1 A 32 32 TRP H H 32 7.703 8.637 -0.934 1
1 340 . 13 1 1 A 32 32 TRP HA H 32 4.244 4.607 -0.363 1
1 349 . 13 1 1 A 32 32 TRP C C 32 177.566 178.467 -0.901 1
1 350 . 13 1 1 A 32 32 TRP CA C 32 59.531 59.970 -0.439 1
1 351 . 13 1 1 A 32 32 TRP CB C 32 29.953 29.289 0.664 1
1 357 . 13 1 1 A 32 32 TRP N N 32 123.505 124.551 -1.046 1
1 359 . 13 1 1 A 33 33 ASP H H 33 8.797 8.016 0.781 1
1 360 . 13 1 1 A 33 33 ASP HA H 33 4.634 4.691 -0.057 1
1 363 . 13 1 1 A 33 33 ASP C C 33 175.831 175.889 -0.058 1
1 364 . 13 1 1 A 33 33 ASP CA C 33 54.398 55.907 -1.509 1
1 365 . 13 1 1 A 33 33 ASP CB C 33 40.707 41.418 -0.711 1
1 366 . 13 1 1 A 33 33 ASP N N 33 113.424 120.213 -6.789 1
1 367 . 13 1 1 A 34 34 SER H H 34 8.039 7.966 0.073 1
1 368 . 13 1 1 A 34 34 SER HA H 34 4.737 4.668 0.069 1
1 372 . 13 1 1 A 34 34 SER C C 34 174.096 174.360 -0.264 1
1 373 . 13 1 1 A 34 34 SER CA C 34 56.454 56.368 0.086 1
1 374 . 13 1 1 A 34 34 SER CB C 34 65.137 64.902 0.235 1
1 375 . 13 1 1 A 34 34 SER N N 34 114.429 116.068 -1.639 1
1 376 . 13 1 1 A 35 35 GLN H H 35 8.387 8.643 -0.256 1
1 377 . 13 1 1 A 35 35 GLN HA H 35 4.426 4.264 0.162 1
1 384 . 13 1 1 A 35 35 GLN C C 35 173.518 174.313 -0.795 1
1 385 . 13 1 1 A 35 35 GLN CA C 35 54.020 55.651 -1.631 1
1 386 . 13 1 1 A 35 35 GLN CB C 35 28.804 29.038 -0.234 1
1 388 . 13 1 1 A 35 35 GLN N N 35 123.700 123.556 0.144 1
1 390 . 13 1 1 A 36 36 SER H H 36 7.746 7.280 0.466 1
1 391 . 13 1 1 A 36 36 SER HA H 36 4.466 4.885 -0.419 1
1 395 . 13 1 1 A 36 36 SER C C 36 172.824 173.536 -0.712 1
1 396 . 13 1 1 A 36 36 SER CA C 36 54.749 55.315 -0.566 1
1 397 . 13 1 1 A 36 36 SER CB C 36 65.162 65.247 -0.085 1
1 398 . 13 1 1 A 36 36 SER N N 36 112.974 115.591 -2.617 1
1 399 . 13 1 1 A 37 37 PRO HA H 37 4.382 4.481 -0.099 1
1 406 . 13 1 1 A 37 37 PRO C C 37 176.351 176.159 0.192 1
1 407 . 13 1 1 A 37 37 PRO CA C 37 64.110 64.151 -0.041 1
1 408 . 13 1 1 A 37 37 PRO CB C 37 33.670 31.922 1.748 1
1 411 . 13 1 1 A 38 38 HIS H H 38 8.764 7.546 1.218 1
1 412 . 13 1 1 A 38 38 HIS HA H 38 4.897 4.731 0.166 1
1 417 . 13 1 1 A 38 38 HIS C C 38 178.144 174.798 3.346 1
1 418 . 13 1 1 A 38 38 HIS CA C 38 55.580 55.605 -0.025 1
1 419 . 13 1 1 A 38 38 HIS CB C 38 30.421 30.770 -0.349 1
1 422 . 13 1 1 A 38 38 HIS N N 38 122.516 117.244 5.272 1
1 423 . 13 1 1 A 39 39 ALA H H 39 8.673 8.706 -0.033 1
1 424 . 13 1 1 A 39 39 ALA HA H 39 4.493 4.704 -0.211 1
1 428 . 13 1 1 A 39 39 ALA C C 39 178.375 176.766 1.609 1
1 429 . 13 1 1 A 39 39 ALA CA C 39 51.440 51.596 -0.156 1
1 430 . 13 1 1 A 39 39 ALA CB C 39 18.980 20.483 -1.503 1
1 431 . 13 1 1 A 39 39 ALA N N 39 128.546 127.499 1.047 1
1 432 . 13 1 1 A 40 40 HIS H H 40 9.291 8.630 0.661 1
1 433 . 13 1 1 A 40 40 HIS HA H 40 4.734 5.492 -0.758 1
1 439 . 13 1 1 A 40 40 HIS C C 40 175.484 175.039 0.445 1
1 440 . 13 1 1 A 40 40 HIS CA C 40 56.141 54.004 2.137 1
1 441 . 13 1 1 A 40 40 HIS CB C 40 35.545 32.245 3.300 1
1 444 . 13 1 1 A 40 40 HIS N N 40 120.682 116.564 4.118 1
1 445 . 13 1 1 A 41 41 GLY H H 41 9.080 8.786 0.294 1
1 446 . 13 1 1 A 41 41 GLY HA2 H 41 4.602 4.022 0.580 1
1 447 . 13 1 1 A 41 41 GLY HA3 H 41 3.671 4.071 -0.400 1
1 448 . 13 1 1 A 41 41 GLY C C 41 176.409 174.049 2.360 1
1 449 . 13 1 1 A 41 41 GLY CA C 41 44.724 45.383 -0.659 1
1 450 . 13 1 1 A 41 41 GLY N N 41 106.159 108.458 -2.299 1
1 451 . 13 1 1 A 42 42 TYR H H 42 11.980 8.367 3.613 1
1 452 . 13 1 1 A 42 42 TYR HA H 42 4.616 5.074 -0.458 1
1 459 . 13 1 1 A 42 42 TYR C C 42 174.385 175.284 -0.899 1
1 460 . 13 1 1 A 42 42 TYR CA C 42 57.579 56.729 0.850 1
1 461 . 13 1 1 A 42 42 TYR CB C 42 36.198 36.252 -0.054 1
1 466 . 13 1 1 A 42 42 TYR N N 42 133.554 120.328 13.226 1
1 467 . 13 1 1 A 43 43 ILE H H 43 7.120 8.414 -1.294 1
1 468 . 13 1 1 A 43 43 ILE HA H 43 4.630 4.622 0.008 1
1 478 . 13 1 1 A 43 43 ILE C C 43 177.219 176.237 0.982 1
1 479 . 13 1 1 A 43 43 ILE CA C 43 58.201 58.686 -0.485 1
1 480 . 13 1 1 A 43 43 ILE CB C 43 38.761 37.979 0.782 1
1 484 . 13 1 1 A 43 43 ILE N N 43 118.881 125.269 -6.388 1
1 485 . 13 1 1 A 44 44 PRO HA H 44 4.193 4.441 -0.248 1
1 492 . 13 1 1 A 44 44 PRO C C 44 178.780 177.496 1.284 1
1 493 . 13 1 1 A 44 44 PRO CA C 44 67.061 64.452 2.609 1
1 494 . 13 1 1 A 44 44 PRO CB C 44 32.267 31.881 0.386 1
1 497 . 13 1 1 A 45 45 SER H H 45 7.984 8.216 -0.232 1
1 498 . 13 1 1 A 45 45 SER HA H 45 4.087 4.251 -0.164 1
1 502 . 13 1 1 A 45 45 SER C C 45 176.004 175.803 0.201 1
1 503 . 13 1 1 A 45 45 SER CA C 45 60.161 60.663 -0.502 1
1 504 . 13 1 1 A 45 45 SER CB C 45 62.260 62.754 -0.494 1
1 505 . 13 1 1 A 45 45 SER N N 45 107.865 112.608 -4.743 1
1 506 . 13 1 1 A 46 46 LYS H H 46 7.769 7.571 0.198 1
1 507 . 13 1 1 A 46 46 LYS HA H 46 3.965 4.184 -0.219 1
1 516 . 13 1 1 A 46 46 LYS C C 46 175.831 176.361 -0.530 1
1 517 . 13 1 1 A 46 46 LYS CA C 46 57.349 57.216 0.133 1
1 518 . 13 1 1 A 46 46 LYS CB C 46 33.283 32.513 0.770 1
1 522 . 13 1 1 A 46 46 LYS N N 46 121.944 117.856 4.088 1
1 523 . 13 1 1 A 47 47 PHE H H 47 7.018 7.332 -0.314 1
1 524 . 13 1 1 A 47 47 PHE HA H 47 5.244 5.095 0.149 1
1 532 . 13 1 1 A 47 47 PHE C C 47 174.790 174.498 0.292 1
1 533 . 13 1 1 A 47 47 PHE CA C 47 54.142 54.709 -0.567 1
1 534 . 13 1 1 A 47 47 PHE CB C 47 39.434 38.743 0.691 1
1 539 . 13 1 1 A 47 47 PHE N N 47 115.480 119.281 -3.801 1
1 540 . 13 1 1 A 48 48 PRO HA H 48 4.472 4.370 0.102 1
1 547 . 13 1 1 A 48 48 PRO C C 48 177.681 178.347 -0.666 1
1 548 . 13 1 1 A 48 48 PRO CA C 48 65.513 65.463 0.050 1
1 549 . 13 1 1 A 48 48 PRO CB C 48 31.712 31.696 0.016 1
1 552 . 13 1 1 A 49 49 ASN H H 49 8.559 8.983 -0.424 1
1 553 . 13 1 1 A 49 49 ASN HA H 49 4.818 4.584 0.234 1
1 558 . 13 1 1 A 49 49 ASN C C 49 175.715 175.872 -0.157 1
1 559 . 13 1 1 A 49 49 ASN CA C 49 53.372 54.178 -0.806 1
1 560 . 13 1 1 A 49 49 ASN CB C 49 37.351 37.047 0.304 1
1 561 . 13 1 1 A 49 49 ASN N N 49 114.836 114.776 0.060 1
1 563 . 13 1 1 A 50 50 LYS H H 50 7.627 7.550 0.077 1
1 564 . 13 1 1 A 50 50 LYS HA H 50 4.480 4.327 0.153 1
1 573 . 13 1 1 A 50 50 LYS C C 50 175.079 175.734 -0.655 1
1 574 . 13 1 1 A 50 50 LYS CA C 50 53.336 55.773 -2.437 1
1 575 . 13 1 1 A 50 50 LYS CB C 50 31.284 32.409 -1.125 1
1 579 . 13 1 1 A 50 50 LYS N N 50 116.224 117.869 -1.645 1
1 580 . 13 1 1 A 51 51 ASN H H 51 7.945 8.164 -0.219 1
1 581 . 13 1 1 A 51 51 ASN HA H 51 4.304 4.327 -0.023 1
1 586 . 13 1 1 A 51 51 ASN C C 51 175.195 174.097 1.098 1
1 587 . 13 1 1 A 51 51 ASN CA C 51 54.089 54.171 -0.082 1
1 588 . 13 1 1 A 51 51 ASN CB C 51 36.504 37.183 -0.679 1
1 589 . 13 1 1 A 51 51 ASN N N 51 115.331 116.884 -1.553 1
1 591 . 13 1 1 A 52 52 LEU H H 52 8.803 7.965 0.838 1
1 592 . 13 1 1 A 52 52 LEU HA H 52 3.412 3.767 -0.355 1
1 602 . 13 1 1 A 52 52 LEU C C 52 174.674 176.134 -1.460 1
1 603 . 13 1 1 A 52 52 LEU CA C 52 53.983 54.500 -0.517 1
1 604 . 13 1 1 A 52 52 LEU CB C 52 42.471 40.084 2.387 1
1 608 . 13 1 1 A 52 52 LEU N N 52 121.765 119.812 1.953 1
1 609 . 13 1 1 A 53 53 LYS H H 53 7.099 8.016 -0.917 1
1 610 . 13 1 1 A 53 53 LYS HA H 53 4.324 4.723 -0.399 1
1 619 . 13 1 1 A 53 53 LYS C C 53 173.460 176.738 -3.278 1
1 620 . 13 1 1 A 53 53 LYS CA C 53 54.843 54.400 0.443 1
1 621 . 13 1 1 A 53 53 LYS CB C 53 36.395 35.285 1.110 1
1 625 . 13 1 1 A 53 53 LYS N N 53 124.403 124.916 -0.513 1
1 626 . 13 1 1 A 54 54 LYS H H 54 8.805 8.890 -0.085 1
1 627 . 13 1 1 A 54 54 LYS HA H 54 3.692 3.897 -0.205 1
1 636 . 13 1 1 A 54 54 LYS C C 54 173.344 176.365 -3.021 1
1 637 . 13 1 1 A 54 54 LYS CA C 54 56.366 58.154 -1.788 1
1 638 . 13 1 1 A 54 54 LYS CB C 54 29.830 30.908 -1.078 1
1 642 . 13 1 1 A 54 54 LYS N N 54 118.125 117.540 0.585 1
1 643 . 13 1 1 A 55 55 ASN H H 55 7.567 8.266 -0.699 1
1 644 . 13 1 1 A 55 55 ASN HA H 55 4.643 4.774 -0.131 1
1 649 . 13 1 1 A 55 55 ASN C C 55 172.188 175.128 -2.940 1
1 650 . 13 1 1 A 55 55 ASN CA C 55 51.091 51.948 -0.857 1
1 651 . 13 1 1 A 55 55 ASN CB C 55 37.234 38.782 -1.548 1
1 652 . 13 1 1 A 55 55 ASN N N 55 123.893 121.389 2.504 1
1 654 . 13 1 1 A 56 56 TYR H H 56 7.584 8.056 -0.472 1
1 655 . 13 1 1 A 56 56 TYR HA H 56 4.892 4.813 0.079 1
1 662 . 13 1 1 A 56 56 TYR C C 56 177.276 175.989 1.287 1
1 663 . 13 1 1 A 56 56 TYR CA C 56 54.447 58.467 -4.020 1
1 664 . 13 1 1 A 56 56 TYR CB C 56 38.633 39.358 -0.725 1
1 669 . 13 1 1 A 56 56 TYR N N 56 115.237 120.487 -5.250 1
1 670 . 13 1 1 A 57 57 CYS H H 57 9.149 9.313 -0.164 1
1 671 . 13 1 1 A 57 57 CYS HA H 57 4.398 4.764 -0.366 1
1 674 . 13 1 1 A 57 57 CYS C C 57 175.600 174.507 1.093 1
1 675 . 13 1 1 A 57 57 CYS CA C 57 59.824 57.044 2.780 1
1 676 . 13 1 1 A 57 57 CYS CB C 57 48.356 42.327 6.029 1
1 677 . 13 1 1 A 57 57 CYS N N 57 119.273 122.189 -2.916 1
1 678 . 13 1 1 A 58 58 ARG H H 58 9.138 8.451 0.687 1
1 679 . 13 1 1 A 58 58 ARG HA H 58 4.918 5.126 -0.208 1
1 687 . 13 1 1 A 58 58 ARG C C 58 173.576 174.484 -0.908 1
1 688 . 13 1 1 A 58 58 ARG CA C 58 53.187 54.289 -1.102 1
1 689 . 13 1 1 A 58 58 ARG CB C 58 29.412 34.692 -5.280 1
1 692 . 13 1 1 A 58 58 ARG N N 58 122.881 124.914 -2.033 1
1 694 . 13 1 1 A 59 59 ASN H H 59 8.868 8.596 0.272 1
1 695 . 13 1 1 A 59 59 ASN HA H 59 5.513 4.987 0.526 1
1 700 . 13 1 1 A 59 59 ASN C C 59 172.824 173.637 -0.813 1
1 701 . 13 1 1 A 59 59 ASN CA C 59 53.176 50.318 2.858 1
1 702 . 13 1 1 A 59 59 ASN CB C 59 37.237 38.900 -1.663 1
1 703 . 13 1 1 A 59 59 ASN N N 59 113.603 119.344 -5.741 1
1 705 . 13 1 1 A 60 60 PRO HA H 60 4.712 4.291 0.421 1
1 712 . 13 1 1 A 60 60 PRO C C 60 175.715 177.918 -2.203 1
1 713 . 13 1 1 A 60 60 PRO CA C 60 63.643 64.635 -0.992 1
1 714 . 13 1 1 A 60 60 PRO CB C 60 32.507 31.709 0.798 1
1 717 . 13 1 1 A 61 61 ASP H H 61 8.883 8.034 0.849 1
1 718 . 13 1 1 A 61 61 ASP HA H 61 4.495 4.474 0.021 1
1 721 . 13 1 1 A 61 61 ASP C C 61 174.848 175.665 -0.817 1
1 722 . 13 1 1 A 61 61 ASP CA C 61 51.953 54.166 -2.213 1
1 723 . 13 1 1 A 61 61 ASP CB C 61 42.092 40.850 1.242 1
1 724 . 13 1 1 A 61 61 ASP N N 61 118.660 115.285 3.375 1
1 725 . 13 1 1 A 62 62 ARG H H 62 8.395 7.915 0.480 1
1 726 . 13 1 1 A 62 62 ARG HA H 62 3.789 3.883 -0.094 1
1 734 . 13 1 1 A 62 62 ARG C C 62 176.236 174.559 1.677 1
1 735 . 13 1 1 A 62 62 ARG CA C 62 57.318 56.992 0.326 1
1 736 . 13 1 1 A 62 62 ARG CB C 62 26.990 27.563 -0.573 1
1 739 . 13 1 1 A 62 62 ARG N N 62 116.013 114.985 1.028 1
1 741 . 13 1 1 A 63 63 ASP H H 63 9.735 8.309 1.426 1
1 742 . 13 1 1 A 63 63 ASP HA H 63 4.769 4.684 0.085 1
1 745 . 13 1 1 A 63 63 ASP C C 63 177.334 176.657 0.677 1
1 746 . 13 1 1 A 63 63 ASP CA C 63 51.973 52.861 -0.888 1
1 747 . 13 1 1 A 63 63 ASP CB C 63 42.698 42.730 -0.032 1
1 748 . 13 1 1 A 63 63 ASP N N 63 121.799 118.038 3.761 1
1 749 . 13 1 1 A 64 64 LEU H H 64 10.919 8.642 2.277 1
1 750 . 13 1 1 A 64 64 LEU HA H 64 3.995 4.171 -0.176 1
1 760 . 13 1 1 A 64 64 LEU C C 64 176.467 176.884 -0.417 1
1 761 . 13 1 1 A 64 64 LEU CA C 64 57.772 56.619 1.153 1
1 762 . 13 1 1 A 64 64 LEU CB C 64 43.630 42.971 0.659 1
1 766 . 13 1 1 A 64 64 LEU N N 64 121.789 121.930 -0.141 1
1 767 . 13 1 1 A 65 65 ARG H H 65 7.633 7.798 -0.165 1
1 768 . 13 1 1 A 65 65 ARG HA H 65 5.006 4.869 0.137 1
1 776 . 13 1 1 A 65 65 ARG C C 65 172.130 174.006 -1.876 1
1 777 . 13 1 1 A 65 65 ARG CA C 65 53.368 54.239 -0.871 1
1 778 . 13 1 1 A 65 65 ARG CB C 65 28.429 32.576 -4.147 1
1 781 . 13 1 1 A 65 65 ARG N N 65 108.790 113.058 -4.268 1
1 783 . 13 1 1 A 66 66 PRO HA H 66 4.281 4.640 -0.359 1
1 790 . 13 1 1 A 66 66 PRO C C 66 172.940 176.105 -3.165 1
1 791 . 13 1 1 A 66 66 PRO CA C 66 63.677 63.248 0.429 1
1 792 . 13 1 1 A 66 66 PRO CB C 66 32.592 32.799 -0.207 1
1 795 . 13 1 1 A 67 67 TRP H H 67 8.716 8.383 0.333 1
1 796 . 13 1 1 A 67 67 TRP HA H 67 5.406 5.204 0.202 1
1 805 . 13 1 1 A 67 67 TRP C C 67 172.919 173.714 -0.795 1
1 806 . 13 1 1 A 67 67 TRP CA C 67 56.035 55.569 0.466 1
1 807 . 13 1 1 A 67 67 TRP CB C 67 34.026 31.456 2.570 1
1 813 . 13 1 1 A 67 67 TRP N N 67 121.250 118.173 3.077 1
1 815 . 13 1 1 A 68 68 CYS H H 68 8.384 9.001 -0.617 1
1 816 . 13 1 1 A 68 68 CYS HA H 68 4.265 4.735 -0.470 1
1 819 . 13 1 1 A 68 68 CYS C C 68 175.079 172.993 2.086 1
1 820 . 13 1 1 A 68 68 CYS CA C 68 55.876 55.363 0.513 1
1 821 . 13 1 1 A 68 68 CYS CB C 68 42.232 45.975 -3.743 1
1 822 . 13 1 1 A 68 68 CYS N N 68 109.624 117.546 -7.922 1
1 823 . 13 1 1 A 69 69 PHE H H 69 8.031 8.448 -0.417 1
1 824 . 13 1 1 A 69 69 PHE HA H 69 5.420 4.839 0.581 1
1 832 . 13 1 1 A 69 69 PHE C C 69 176.814 175.453 1.361 1
1 833 . 13 1 1 A 69 69 PHE CA C 69 59.299 57.897 1.402 1
1 834 . 13 1 1 A 69 69 PHE CB C 69 38.411 39.993 -1.582 1
1 840 . 13 1 1 A 69 69 PHE N N 69 120.433 121.525 -1.092 1
1 841 . 13 1 1 A 70 70 THR H H 70 8.002 8.892 -0.890 1
1 842 . 13 1 1 A 70 70 THR HA H 70 5.408 4.517 0.891 1
1 848 . 13 1 1 A 70 70 THR C C 70 173.518 175.149 -1.631 1
1 849 . 13 1 1 A 70 70 THR CA C 70 61.208 62.786 -1.578 1
1 850 . 13 1 1 A 70 70 THR CB C 70 70.441 69.675 0.766 1
1 852 . 13 1 1 A 70 70 THR N N 70 112.351 118.894 -6.543 1
1 853 . 13 1 1 A 71 71 THR H H 71 8.126 8.368 -0.242 1
1 854 . 13 1 1 A 71 71 THR HA H 71 4.037 4.499 -0.462 1
1 860 . 13 1 1 A 71 71 THR C C 71 174.903 173.736 1.167 1
1 861 . 13 1 1 A 71 71 THR CA C 71 62.413 63.417 -1.004 1
1 862 . 13 1 1 A 71 71 THR CB C 71 69.167 69.192 -0.025 1
1 864 . 13 1 1 A 71 71 THR N N 71 104.863 119.884 -15.021 1
1 865 . 13 1 1 A 72 72 ASP H H 72 9.024 7.892 1.132 1
1 866 . 13 1 1 A 72 72 ASP HA H 72 4.936 4.905 0.031 1
1 869 . 13 1 1 A 72 72 ASP C C 72 176.929 175.837 1.092 1
1 870 . 13 1 1 A 72 72 ASP CA C 72 51.333 52.020 -0.687 1
1 871 . 13 1 1 A 72 72 ASP CB C 72 43.416 42.609 0.807 1
1 872 . 13 1 1 A 72 72 ASP N N 72 126.242 122.219 4.023 1
1 873 . 13 1 1 A 73 73 PRO HA H 73 3.962 4.400 -0.438 1
1 880 . 13 1 1 A 73 73 PRO C C 73 177.045 178.202 -1.157 1
1 881 . 13 1 1 A 73 73 PRO CA C 73 64.632 64.509 0.123 1
1 882 . 13 1 1 A 73 73 PRO CB C 73 32.460 31.911 0.549 1
1 885 . 13 1 1 A 74 74 ASN H H 74 8.943 8.236 0.707 1
1 886 . 13 1 1 A 74 74 ASN HA H 74 4.854 4.593 0.261 1
1 891 . 13 1 1 A 74 74 ASN C C 74 174.443 175.224 -0.781 1
1 892 . 13 1 1 A 74 74 ASN CA C 74 53.380 55.870 -2.490 1
1 893 . 13 1 1 A 74 74 ASN CB C 74 39.333 39.085 0.248 1
1 894 . 13 1 1 A 74 74 ASN N N 74 114.144 114.989 -0.845 1
1 896 . 13 1 1 A 75 75 LYS H H 75 7.795 7.792 0.003 1
1 897 . 13 1 1 A 75 75 LYS HA H 75 4.571 4.335 0.236 1
1 906 . 13 1 1 A 75 75 LYS C C 75 173.402 176.584 -3.182 1
1 907 . 13 1 1 A 75 75 LYS CA C 75 54.154 55.479 -1.325 1
1 908 . 13 1 1 A 75 75 LYS CB C 75 32.186 32.229 -0.043 1
1 912 . 13 1 1 A 75 75 LYS N N 75 122.835 117.738 5.097 1
1 913 . 13 1 1 A 76 76 ARG H H 76 9.132 8.672 0.460 1
1 914 . 13 1 1 A 76 76 ARG HA H 76 4.555 3.400 1.155 1
1 922 . 13 1 1 A 76 76 ARG C C 76 175.137 175.729 -0.592 1
1 923 . 13 1 1 A 76 76 ARG CA C 76 60.532 58.098 2.434 1
1 924 . 13 1 1 A 76 76 ARG CB C 76 29.307 30.994 -1.687 1
1 927 . 13 1 1 A 76 76 ARG N N 76 129.676 126.864 2.812 1
1 929 . 13 1 1 A 77 77 TRP H H 77 7.559 7.217 0.342 1
1 930 . 13 1 1 A 77 77 TRP HA H 77 5.357 5.030 0.327 1
1 939 . 13 1 1 A 77 77 TRP C C 77 172.940 174.021 -1.081 1
1 940 . 13 1 1 A 77 77 TRP CA C 77 55.044 55.723 -0.679 1
1 941 . 13 1 1 A 77 77 TRP CB C 77 31.951 30.750 1.201 1
1 947 . 13 1 1 A 77 77 TRP N N 77 109.174 113.998 -4.824 1
1 949 . 13 1 1 A 78 78 GLU H H 78 8.638 8.943 -0.305 1
1 950 . 13 1 1 A 78 78 GLU HA H 78 3.671 4.759 -1.088 1
1 955 . 13 1 1 A 78 78 GLU C C 78 174.501 175.588 -1.087 1
1 956 . 13 1 1 A 78 78 GLU CA C 78 55.659 54.405 1.254 1
1 957 . 13 1 1 A 78 78 GLU CB C 78 34.557 34.283 0.274 1
1 959 . 13 1 1 A 78 78 GLU N N 78 118.907 119.240 -0.333 1
1 960 . 13 1 1 A 79 79 TYR H H 79 7.636 9.081 -1.445 1
1 961 . 13 1 1 A 79 79 TYR HA H 79 4.995 4.974 0.021 1
1 968 . 13 1 1 A 79 79 TYR C C 79 175.889 175.965 -0.076 1
1 969 . 13 1 1 A 79 79 TYR CA C 79 60.120 58.525 1.595 1
1 970 . 13 1 1 A 79 79 TYR CB C 79 39.789 39.428 0.361 1
1 975 . 13 1 1 A 79 79 TYR N N 79 119.277 119.605 -0.328 1
1 976 . 13 1 1 A 80 80 CYS H H 80 9.398 9.579 -0.181 1
1 977 . 13 1 1 A 80 80 CYS HA H 80 4.720 5.401 -0.681 1
1 980 . 13 1 1 A 80 80 CYS C C 80 172.419 172.008 0.411 1
1 981 . 13 1 1 A 80 80 CYS CA C 80 54.618 54.577 0.041 1
1 982 . 13 1 1 A 80 80 CYS CB C 80 46.736 44.215 2.521 1
1 983 . 13 1 1 A 80 80 CYS N N 80 118.623 120.033 -1.410 1
1 984 . 13 1 1 A 81 81 ASP H H 81 9.729 9.049 0.680 1
1 985 . 13 1 1 A 81 81 ASP HA H 81 4.781 4.717 0.064 1
1 988 . 13 1 1 A 81 81 ASP C C 81 173.576 174.881 -1.305 1
1 989 . 13 1 1 A 81 81 ASP CA C 81 52.855 53.360 -0.505 1
1 990 . 13 1 1 A 81 81 ASP CB C 81 40.733 40.415 0.318 1
1 991 . 13 1 1 A 81 81 ASP N N 81 124.777 125.997 -1.220 1
1 992 . 13 1 1 A 82 82 ILE H H 82 7.820 7.745 0.075 1
1 993 . 13 1 1 A 82 82 ILE HA H 82 4.320 4.516 -0.196 1
1 1003 . 13 1 1 A 82 82 ILE C C 82 173.923 173.993 -0.070 1
1 1004 . 13 1 1 A 82 82 ILE CA C 82 56.118 57.452 -1.334 1
1 1005 . 13 1 1 A 82 82 ILE CB C 82 38.166 40.545 -2.379 1
1 1009 . 13 1 1 A 82 82 ILE N N 82 125.281 125.496 -0.215 1
1 1010 . 13 1 1 A 83 83 PRO HA H 83 4.337 4.411 -0.074 1
1 1017 . 13 1 1 A 83 83 PRO C C 83 175.167 175.246 -0.079 1
1 1018 . 13 1 1 A 83 83 PRO CA C 83 62.844 63.250 -0.406 1
1 1019 . 13 1 1 A 83 83 PRO CB C 83 32.450 32.209 0.241 1
1 1022 . 13 1 1 A 84 84 ARG H H 84 8.656 8.525 0.131 1
1 1023 . 13 1 1 A 84 84 ARG HA H 84 4.658 4.536 0.122 1
1 1031 . 13 1 1 A 84 84 ARG C C 84 175.137 174.468 0.669 1
1 1032 . 13 1 1 A 84 84 ARG CA C 84 55.617 55.061 0.556 1
1 1033 . 13 1 1 A 84 84 ARG CB C 84 30.482 31.858 -1.376 1
1 1036 . 13 1 1 A 84 84 ARG N N 84 122.316 123.350 -1.034 1
1 1038 . 13 1 1 A 85 85 CYS H H 85 8.783 9.278 -0.495 1
1 1039 . 13 1 1 A 85 85 CYS HA H 85 4.479 5.237 -0.758 1
1 1042 . 13 1 1 A 85 85 CYS C C 85 174.906 173.940 0.966 1
1 1043 . 13 1 1 A 85 85 CYS CA C 85 54.177 54.531 -0.354 1
1 1044 . 13 1 1 A 85 85 CYS CB C 85 39.574 44.011 -4.437 1
1 1045 . 13 1 1 A 85 85 CYS N N 85 124.002 125.257 -1.255 1
1 1046 . 13 1 1 A 86 86 ALA H H 86 8.746 8.931 -0.185 1
1 1047 . 13 1 1 A 86 86 ALA HA H 86 4.255 4.185 0.070 1
1 1051 . 13 1 1 A 86 86 ALA C C 86 176.236 177.687 -1.451 1
1 1052 . 13 1 1 A 86 86 ALA CA C 86 53.067 52.888 0.179 1
1 1053 . 13 1 1 A 86 86 ALA CB C 86 19.034 19.055 -0.021 1
1 1054 . 13 1 1 A 86 86 ALA N N 86 126.444 126.515 -0.071 1
1 1064 . 13 2 2 B 2 2 SER HA H 100 4.570 4.707 -0.137 1
1 1067 . 13 2 2 B 2 2 SER C C 100 174.779 174.860 -0.081 1
1 1068 . 13 2 2 B 2 2 SER CA C 100 58.624 59.016 -0.392 1
1 1069 . 13 2 2 B 2 2 SER CB C 100 63.939 63.822 0.117 1
1 1070 . 13 2 2 B 3 3 VAL H H 101 8.341 8.438 -0.097 1
1 1071 . 13 2 2 B 3 3 VAL HA H 101 4.151 4.290 -0.139 1
1 1079 . 13 2 2 B 3 3 VAL C C 101 176.450 177.313 -0.863 1
1 1080 . 13 2 2 B 3 3 VAL CA C 101 62.793 62.652 0.141 1
1 1081 . 13 2 2 B 3 3 VAL CB C 101 32.495 32.900 -0.405 1
1 1084 . 13 2 2 B 3 3 VAL N N 101 121.954 120.469 1.485 1
1 1085 . 13 2 2 B 4 4 GLU H H 102 8.521 7.934 0.587 1
1 1086 . 13 2 2 B 4 4 GLU HA H 102 4.291 3.971 0.320 1
1 1091 . 13 2 2 B 4 4 GLU C C 102 176.450 177.124 -0.674 1
1 1092 . 13 2 2 B 4 4 GLU CA C 102 56.955 59.508 -2.553 1
1 1093 . 13 2 2 B 4 4 GLU CB C 102 30.233 29.624 0.609 1
1 1095 . 13 2 2 B 4 4 GLU N N 102 124.722 122.146 2.576 1
1 1096 . 13 2 2 B 5 5 LYS H H 103 8.323 8.121 0.202 1
1 1097 . 13 2 2 B 5 5 LYS HA H 103 4.313 4.050 0.263 1
1 1106 . 13 2 2 B 5 5 LYS C C 103 176.784 176.346 0.438 1
1 1107 . 13 2 2 B 5 5 LYS CA C 103 56.688 57.584 -0.896 1
1 1108 . 13 2 2 B 5 5 LYS CB C 103 30.228 30.295 -0.067 1
1 1112 . 13 2 2 B 5 5 LYS N N 103 122.689 119.314 3.375 1
1 1113 . 13 2 2 B 6 6 LEU H H 104 8.369 8.071 0.298 1
1 1114 . 13 2 2 B 6 6 LEU HA H 104 4.500 4.534 -0.034 1
1 1124 . 13 2 2 B 6 6 LEU C C 104 177.632 176.486 1.146 1
1 1125 . 13 2 2 B 6 6 LEU CA C 104 55.480 54.343 1.137 1
1 1126 . 13 2 2 B 6 6 LEU CB C 104 42.587 43.373 -0.786 1
1 1130 . 13 2 2 B 6 6 LEU N N 104 123.373 118.260 5.113 1
1 1131 . 13 2 2 B 7 7 THR HA H 105 4.558 4.304 0.254 1
1 1137 . 13 2 2 B 7 7 THR C C 105 175.614 175.321 0.293 1
1 1138 . 13 2 2 B 7 7 THR CA C 105 62.000 60.853 1.147 1
1 1139 . 13 2 2 B 7 7 THR CB C 105 70.090 70.716 -0.626 1
1 1141 . 13 2 2 B 8 8 ALA H H 106 8.649 9.007 -0.358 1
1 1142 . 13 2 2 B 8 8 ALA HA H 106 4.458 4.067 0.391 1
1 1146 . 13 2 2 B 8 8 ALA C C 106 179.290 179.330 -0.040 1
1 1147 . 13 2 2 B 8 8 ALA CA C 106 55.552 55.758 -0.206 1
1 1148 . 13 2 2 B 8 8 ALA CB C 106 18.704 18.186 0.518 1
1 1149 . 13 2 2 B 8 8 ALA N N 106 124.857 124.821 0.036 1
1 1150 . 13 2 2 B 9 9 ASP H H 107 8.286 8.325 -0.039 1
1 1151 . 13 2 2 B 9 9 ASP HA H 107 4.457 4.326 0.131 1
1 1154 . 13 2 2 B 9 9 ASP C C 107 178.845 178.302 0.543 1
1 1155 . 13 2 2 B 9 9 ASP CA C 107 57.733 56.582 1.151 1
1 1156 . 13 2 2 B 9 9 ASP CB C 107 40.881 41.061 -0.180 1
1 1157 . 13 2 2 B 9 9 ASP N N 107 115.621 118.108 -2.487 1
1 1158 . 13 2 2 B 10 10 ALA H H 108 7.887 8.144 -0.257 1
1 1159 . 13 2 2 B 10 10 ALA HA H 108 4.182 4.137 0.045 1
1 1163 . 13 2 2 B 10 10 ALA C C 108 180.906 179.509 1.397 1
1 1164 . 13 2 2 B 10 10 ALA CA C 108 55.014 55.058 -0.044 1
1 1165 . 13 2 2 B 10 10 ALA CB C 108 18.631 18.278 0.353 1
1 1166 . 13 2 2 B 10 10 ALA N N 108 122.756 121.538 1.218 1
1 1167 . 13 2 2 B 11 11 GLU H H 109 8.390 8.466 -0.076 1
1 1168 . 13 2 2 B 11 11 GLU HA H 109 4.256 4.123 0.133 1
1 1173 . 13 2 2 B 11 11 GLU C C 109 178.678 179.021 -0.343 1
1 1174 . 13 2 2 B 11 11 GLU CA C 109 59.105 58.950 0.155 1
1 1175 . 13 2 2 B 11 11 GLU CB C 109 29.559 29.467 0.092 1
1 1177 . 13 2 2 B 11 11 GLU N N 109 121.999 119.218 2.781 1
1 1178 . 13 2 2 B 12 12 LEU H H 110 8.395 8.662 -0.267 1
1 1179 . 13 2 2 B 12 12 LEU HA H 110 3.808 3.969 -0.161 1
1 1189 . 13 2 2 B 12 12 LEU C C 110 178.288 179.199 -0.911 1
1 1190 . 13 2 2 B 12 12 LEU CA C 110 58.407 57.956 0.451 1
1 1191 . 13 2 2 B 12 12 LEU CB C 110 41.329 41.731 -0.402 1
1 1195 . 13 2 2 B 12 12 LEU N N 110 119.939 120.073 -0.134 1
1 1196 . 13 2 2 B 13 13 GLN H H 111 7.761 8.507 -0.746 1
1 1197 . 13 2 2 B 13 13 GLN HA H 111 4.008 3.934 0.074 1
1 1202 . 13 2 2 B 13 13 GLN C C 111 177.954 178.113 -0.159 1
1 1203 . 13 2 2 B 13 13 GLN CA C 111 58.674 59.294 -0.620 1
1 1204 . 13 2 2 B 13 13 GLN CB C 111 28.513 28.289 0.224 1
1 1206 . 13 2 2 B 13 13 GLN N N 111 117.305 118.987 -1.682 1
1 1207 . 13 2 2 B 14 14 ARG H H 112 7.752 8.015 -0.263 1
1 1208 . 13 2 2 B 14 14 ARG HA H 112 4.053 4.225 -0.172 1
1 1216 . 13 2 2 B 14 14 ARG C C 112 179.625 178.673 0.952 1
1 1217 . 13 2 2 B 14 14 ARG CA C 112 59.770 58.422 1.348 1
1 1218 . 13 2 2 B 14 14 ARG CB C 112 29.884 29.759 0.125 1
1 1221 . 13 2 2 B 14 14 ARG N N 112 121.241 120.438 0.803 1
1 1223 . 13 2 2 B 15 15 LEU H H 113 8.478 8.533 -0.055 1
1 1224 . 13 2 2 B 15 15 LEU HA H 113 3.974 4.034 -0.060 1
1 1234 . 13 2 2 B 15 15 LEU C C 113 180.627 179.119 1.508 1
1 1235 . 13 2 2 B 15 15 LEU CA C 113 58.251 57.631 0.620 1
1 1236 . 13 2 2 B 15 15 LEU CB C 113 41.751 41.276 0.475 1
1 1240 . 13 2 2 B 15 15 LEU N N 113 120.898 120.466 0.432 1
1 1241 . 13 2 2 B 16 16 LYS H H 114 8.437 8.374 0.063 1
1 1242 . 13 2 2 B 16 16 LYS HA H 114 3.368 3.813 -0.445 1
1 1251 . 13 2 2 B 16 16 LYS C C 114 178.288 179.321 -1.033 1
1 1252 . 13 2 2 B 16 16 LYS CA C 114 60.242 59.718 0.524 1
1 1253 . 13 2 2 B 16 16 LYS CB C 114 30.249 31.933 -1.684 1
1 1257 . 13 2 2 B 16 16 LYS N N 114 123.214 121.211 2.003 1
1 1258 . 13 2 2 B 17 17 ASN H H 115 8.137 8.732 -0.595 1
1 1259 . 13 2 2 B 17 17 ASN HA H 115 4.270 4.558 -0.288 1
1 1264 . 13 2 2 B 17 17 ASN C C 115 178.288 177.803 0.485 1
1 1265 . 13 2 2 B 17 17 ASN CA C 115 56.318 56.583 -0.265 1
1 1266 . 13 2 2 B 17 17 ASN CB C 115 37.573 37.826 -0.253 1
1 1267 . 13 2 2 B 17 17 ASN N N 115 117.923 118.203 -0.280 1
1 1269 . 13 2 2 B 18 18 GLU H H 116 8.110 8.564 -0.454 1
1 1270 . 13 2 2 B 18 18 GLU HA H 116 4.146 3.970 0.176 1
1 1275 . 13 2 2 B 18 18 GLU C C 116 178.956 179.042 -0.086 1
1 1276 . 13 2 2 B 18 18 GLU CA C 116 59.659 59.776 -0.117 1
1 1277 . 13 2 2 B 18 18 GLU CB C 116 29.950 29.134 0.816 1
1 1279 . 13 2 2 B 18 18 GLU N N 116 120.249 120.249 0.000 1
1 1280 . 13 2 2 B 19 19 ARG H H 117 7.925 8.208 -0.283 1
1 1281 . 13 2 2 B 19 19 ARG HA H 117 4.057 3.981 0.076 1
1 1289 . 13 2 2 B 19 19 ARG C C 117 180.070 179.031 1.039 1
1 1290 . 13 2 2 B 19 19 ARG CA C 117 59.564 59.531 0.033 1
1 1291 . 13 2 2 B 19 19 ARG CB C 117 29.879 29.474 0.405 1
1 1294 . 13 2 2 B 19 19 ARG N N 117 119.801 118.693 1.108 1
1 1296 . 13 2 2 B 20 20 HIS H H 118 8.316 7.657 0.659 1
1 1297 . 13 2 2 B 20 20 HIS HA H 118 4.574 4.349 0.225 1
1 1304 . 13 2 2 B 20 20 HIS C C 118 176.784 177.757 -0.973 1
1 1305 . 13 2 2 B 20 20 HIS CA C 118 58.397 59.105 -0.708 1
1 1306 . 13 2 2 B 20 20 HIS CB C 118 29.343 30.038 -0.695 1
1 1309 . 13 2 2 B 20 20 HIS N N 118 117.802 118.828 -1.026 1
1 1310 . 13 2 2 B 21 21 GLU H H 119 8.400 8.754 -0.354 1
1 1311 . 13 2 2 B 21 21 GLU HA H 119 4.268 3.771 0.497 1
1 1316 . 13 2 2 B 21 21 GLU C C 119 178.566 179.269 -0.703 1
1 1317 . 13 2 2 B 21 21 GLU CA C 119 59.105 59.897 -0.792 1
1 1318 . 13 2 2 B 21 21 GLU CB C 119 29.559 29.585 -0.026 1
1 1320 . 13 2 2 B 21 21 GLU N N 119 121.996 120.092 1.904 1
1 1321 . 13 2 2 B 22 22 GLU H H 120 8.285 8.390 -0.105 1
1 1322 . 13 2 2 B 22 22 GLU HA H 120 4.204 4.079 0.125 1
1 1327 . 13 2 2 B 22 22 GLU C C 120 178.288 178.895 -0.607 1
1 1328 . 13 2 2 B 22 22 GLU CA C 120 58.841 58.936 -0.095 1
1 1329 . 13 2 2 B 22 22 GLU CB C 120 29.322 29.649 -0.327 1
1 1331 . 13 2 2 B 22 22 GLU N N 120 119.798 120.581 -0.783 1
1 1332 . 13 2 2 B 23 23 ALA H H 121 8.037 8.482 -0.445 1
1 1333 . 13 2 2 B 23 23 ALA HA H 121 4.270 4.070 0.200 1
1 1337 . 13 2 2 B 23 23 ALA C C 121 179.569 179.532 0.037 1
1 1338 . 13 2 2 B 23 23 ALA CA C 121 54.158 55.109 -0.951 1
1 1339 . 13 2 2 B 23 23 ALA CB C 121 18.923 18.399 0.524 1
1 1340 . 13 2 2 B 23 23 ALA N N 121 122.418 122.285 0.133 1
1 1341 . 13 2 2 B 24 24 GLU H H 122 8.039 8.170 -0.131 1
1 1342 . 13 2 2 B 24 24 GLU HA H 122 4.291 4.022 0.269 1
1 1347 . 13 2 2 B 24 24 GLU C C 122 177.954 179.791 -1.837 1
1 1348 . 13 2 2 B 24 24 GLU CA C 122 58.023 58.982 -0.959 1
1 1349 . 13 2 2 B 24 24 GLU CB C 122 29.566 29.458 0.108 1
1 1351 . 13 2 2 B 24 24 GLU N N 122 119.517 118.337 1.180 1
1 1352 . 13 2 2 B 25 25 LEU H H 123 7.962 8.621 -0.659 1
1 1353 . 13 2 2 B 25 25 LEU HA H 123 4.226 4.049 0.177 1
1 1363 . 13 2 2 B 25 25 LEU C C 123 179.123 179.136 -0.013 1
1 1364 . 13 2 2 B 25 25 LEU CA C 123 57.213 58.030 -0.817 1
1 1365 . 13 2 2 B 25 25 LEU CB C 123 41.809 41.671 0.138 1
1 1369 . 13 2 2 B 25 25 LEU N N 123 120.617 120.465 0.152 1
1 1370 . 13 2 2 B 26 26 GLU H H 124 8.093 8.494 -0.401 1
1 1371 . 13 2 2 B 26 26 GLU HA H 124 4.140 3.958 0.182 1
1 1376 . 13 2 2 B 26 26 GLU C C 124 177.954 179.442 -1.488 1
1 1377 . 13 2 2 B 26 26 GLU CA C 124 58.095 59.884 -1.789 1
1 1378 . 13 2 2 B 26 26 GLU CB C 124 29.910 29.588 0.322 1
1 1380 . 13 2 2 B 26 26 GLU N N 124 119.473 118.566 0.907 1
1 1381 . 13 2 2 B 27 27 ARG H H 125 7.954 8.346 -0.392 1
1 1382 . 13 2 2 B 27 27 ARG HA H 125 4.210 4.155 0.055 1
1 1390 . 13 2 2 B 27 27 ARG C C 125 177.619 178.403 -0.784 1
1 1391 . 13 2 2 B 27 27 ARG CA C 125 57.677 58.471 -0.794 1
1 1392 . 13 2 2 B 27 27 ARG CB C 125 30.374 30.077 0.297 1
1 1395 . 13 2 2 B 27 27 ARG N N 125 120.670 120.166 0.504 1
1 1397 . 13 2 2 B 28 28 LEU H H 126 8.038 8.096 -0.058 1
1 1398 . 13 2 2 B 28 28 LEU HA H 126 4.270 4.144 0.126 1
1 1408 . 13 2 2 B 28 28 LEU C C 126 178.065 178.429 -0.364 1
1 1409 . 13 2 2 B 28 28 LEU CA C 126 56.096 57.334 -1.238 1
1 1410 . 13 2 2 B 28 28 LEU CB C 126 42.252 41.710 0.542 1
1 1414 . 13 2 2 B 28 28 LEU N N 126 120.818 120.770 0.048 1
1 1415 . 13 2 2 B 29 29 LYS H H 127 7.944 8.142 -0.198 1
1 1416 . 13 2 2 B 29 29 LYS HA H 127 4.270 4.139 0.131 1
1 1425 . 13 2 2 B 29 29 LYS C C 127 176.951 176.178 0.773 1
1 1426 . 13 2 2 B 29 29 LYS CA C 127 57.168 58.830 -1.662 1
1 1427 . 13 2 2 B 29 29 LYS CB C 127 32.755 32.589 0.166 1
1 1431 . 13 2 2 B 29 29 LYS N N 127 119.960 117.618 2.342 1
1 1432 . 13 2 2 B 30 30 SER H H 128 8.030 7.973 0.057 1
1 1433 . 13 2 2 B 30 30 SER HA H 128 4.466 4.571 -0.105 1
1 1436 . 13 2 2 B 30 30 SER C C 128 176.101 174.451 1.650 1
1 1437 . 13 2 2 B 30 30 SER CA C 128 58.590 60.160 -1.570 1
1 1438 . 13 2 2 B 30 30 SER CB C 128 63.939 62.268 1.671 1
1 1439 . 13 2 2 B 30 30 SER N N 128 115.496 111.926 3.570 1
1 1440 . 13 2 2 B 31 31 GLU H H 129 8.157 8.626 -0.469 1
1 1441 . 13 2 2 B 31 31 GLU HA H 129 4.291 4.849 -0.558 1
1 1446 . 13 2 2 B 31 31 GLU C C 129 175.112 175.286 -0.174 1
1 1447 . 13 2 2 B 31 31 GLU CA C 129 56.654 55.610 1.044 1
1 1448 . 13 2 2 B 31 31 GLU CB C 129 30.389 31.101 -0.712 1
1 1450 . 13 2 2 B 31 31 GLU N N 129 122.569 122.993 -0.424 1
1 1 . 14 1 1 A 2 2 VAL H H 2 7.944 8.419 -0.475 1
1 2 . 14 1 1 A 2 2 VAL HA H 2 4.035 4.453 -0.418 1
1 10 . 14 1 1 A 2 2 VAL C C 2 174.807 177.138 -2.331 1
1 11 . 14 1 1 A 2 2 VAL CA C 2 61.947 62.024 -0.077 1
1 12 . 14 1 1 A 2 2 VAL CB C 2 33.175 33.603 -0.428 1
1 15 . 14 1 1 A 2 2 VAL N N 2 123.960 119.991 3.969 1
1 16 . 14 1 1 A 3 3 GLU H H 3 8.465 8.018 0.447 1
1 17 . 14 1 1 A 3 3 GLU HA H 3 4.168 4.361 -0.193 1
1 22 . 14 1 1 A 3 3 GLU C C 3 175.888 176.822 -0.934 1
1 23 . 14 1 1 A 3 3 GLU CA C 3 56.487 58.428 -1.941 1
1 24 . 14 1 1 A 3 3 GLU CB C 3 30.349 30.672 -0.323 1
1 26 . 14 1 1 A 3 3 GLU N N 3 125.549 120.579 4.970 1
1 27 . 14 1 1 A 4 4 PHE H H 4 8.330 7.570 0.760 1
1 28 . 14 1 1 A 4 4 PHE HA H 4 4.651 5.056 -0.405 1
1 36 . 14 1 1 A 4 4 PHE C C 4 175.550 175.343 0.207 1
1 37 . 14 1 1 A 4 4 PHE CA C 4 57.827 56.036 1.791 1
1 38 . 14 1 1 A 4 4 PHE CB C 4 39.623 42.136 -2.513 1
1 44 . 14 1 1 A 4 4 PHE N N 4 121.869 117.847 4.022 1
1 45 . 14 1 1 A 5 5 SER H H 5 8.177 8.438 -0.261 1
1 46 . 14 1 1 A 5 5 SER HA H 5 4.395 4.576 -0.181 1
1 49 . 14 1 1 A 5 5 SER C C 5 173.996 174.299 -0.303 1
1 50 . 14 1 1 A 5 5 SER CA C 5 58.045 57.849 0.196 1
1 51 . 14 1 1 A 5 5 SER CB C 5 64.050 63.575 0.475 1
1 52 . 14 1 1 A 5 5 SER N N 5 117.865 113.015 4.850 1
1 53 . 14 1 1 A 6 6 GLU H H 6 8.425 8.172 0.253 1
1 54 . 14 1 1 A 6 6 GLU HA H 6 4.290 4.029 0.261 1
1 59 . 14 1 1 A 6 6 GLU C C 6 176.699 176.602 0.097 1
1 60 . 14 1 1 A 6 6 GLU CA C 6 56.479 57.072 -0.593 1
1 61 . 14 1 1 A 6 6 GLU CB C 6 30.715 27.580 3.135 1
1 63 . 14 1 1 A 6 6 GLU N N 6 122.791 120.418 2.373 1
1 64 . 14 1 1 A 7 7 GLU H H 7 8.421 8.437 -0.016 1
1 65 . 14 1 1 A 7 7 GLU HA H 7 4.742 4.447 0.295 1
1 70 . 14 1 1 A 7 7 GLU C C 7 175.145 176.108 -0.963 1
1 71 . 14 1 1 A 7 7 GLU CA C 7 55.617 57.166 -1.549 1
1 72 . 14 1 1 A 7 7 GLU CB C 7 29.095 31.944 -2.849 1
1 74 . 14 1 1 A 7 7 GLU N N 7 122.775 118.965 3.810 1
1 75 . 14 1 1 A 8 8 CYS H H 8 7.917 7.451 0.466 1
1 76 . 14 1 1 A 8 8 CYS HA H 8 4.969 5.012 -0.043 1
1 79 . 14 1 1 A 8 8 CYS C C 8 171.610 171.340 0.270 1
1 80 . 14 1 1 A 8 8 CYS CA C 8 53.880 54.525 -0.645 1
1 81 . 14 1 1 A 8 8 CYS CB C 8 43.144 45.359 -2.215 1
1 82 . 14 1 1 A 8 8 CYS N N 8 115.067 113.125 1.942 1
1 83 . 14 1 1 A 9 9 MET H H 9 9.379 8.932 0.447 1
1 84 . 14 1 1 A 9 9 MET HA H 9 5.049 4.879 0.170 1
1 89 . 14 1 1 A 9 9 MET C C 9 174.038 175.167 -1.129 1
1 90 . 14 1 1 A 9 9 MET CA C 9 53.312 54.199 -0.887 1
1 91 . 14 1 1 A 9 9 MET CB C 9 36.165 35.442 0.723 1
1 93 . 14 1 1 A 9 9 MET N N 9 117.763 120.717 -2.954 1
1 94 . 14 1 1 A 10 10 HIS H H 10 9.610 8.357 1.253 1
1 95 . 14 1 1 A 10 10 HIS HA H 10 4.877 4.626 0.251 1
1 102 . 14 1 1 A 10 10 HIS C C 10 176.698 175.768 0.930 1
1 103 . 14 1 1 A 10 10 HIS CA C 10 55.016 55.875 -0.859 1
1 104 . 14 1 1 A 10 10 HIS CB C 10 31.116 28.646 2.470 1
1 107 . 14 1 1 A 10 10 HIS N N 10 124.293 119.947 4.346 1
1 108 . 14 1 1 A 11 11 GLY H H 11 9.249 9.243 0.006 1
1 109 . 14 1 1 A 11 11 GLY HA2 H 11 4.104 3.782 0.322 1
1 110 . 14 1 1 A 11 11 GLY HA3 H 11 3.843 3.799 0.044 1
1 111 . 14 1 1 A 11 11 GLY C C 11 174.559 174.944 -0.385 1
1 112 . 14 1 1 A 11 11 GLY CA C 11 47.652 47.323 0.329 1
1 113 . 14 1 1 A 11 11 GLY N N 11 115.224 115.060 0.164 1
1 114 . 14 1 1 A 12 12 SER H H 12 8.999 8.382 0.617 1
1 115 . 14 1 1 A 12 12 SER HA H 12 4.653 4.376 0.277 1
1 118 . 14 1 1 A 12 12 SER C C 12 176.178 175.592 0.586 1
1 119 . 14 1 1 A 12 12 SER CA C 12 57.731 59.449 -1.718 1
1 120 . 14 1 1 A 12 12 SER CB C 12 63.439 64.436 -0.997 1
1 121 . 14 1 1 A 12 12 SER N N 12 121.965 119.401 2.564 1
1 122 . 14 1 1 A 13 13 GLY H H 13 9.022 7.825 1.197 1
1 123 . 14 1 1 A 13 13 GLY HA2 H 13 4.052 3.948 0.104 1
1 124 . 14 1 1 A 13 13 GLY HA3 H 13 3.957 3.976 -0.019 1
1 125 . 14 1 1 A 13 13 GLY C C 13 176.178 175.062 1.116 1
1 126 . 14 1 1 A 13 13 GLY CA C 13 47.972 45.857 2.115 1
1 127 . 14 1 1 A 13 13 GLY N N 13 109.294 109.708 -0.414 1
1 128 . 14 1 1 A 14 14 GLU H H 14 9.552 8.115 1.437 1
1 129 . 14 1 1 A 14 14 GLU HA H 14 4.347 4.098 0.249 1
1 134 . 14 1 1 A 14 14 GLU C C 14 177.045 178.469 -1.424 1
1 135 . 14 1 1 A 14 14 GLU CA C 14 60.282 58.816 1.466 1
1 136 . 14 1 1 A 14 14 GLU CB C 14 29.145 29.461 -0.316 1
1 138 . 14 1 1 A 14 14 GLU N N 14 123.736 121.835 1.901 1
1 139 . 14 1 1 A 15 15 ASN H H 15 8.425 7.815 0.610 1
1 140 . 14 1 1 A 15 15 ASN HA H 15 5.030 4.776 0.254 1
1 144 . 14 1 1 A 15 15 ASN C C 15 174.848 175.015 -0.167 1
1 145 . 14 1 1 A 15 15 ASN CA C 15 51.725 53.826 -2.101 1
1 146 . 14 1 1 A 15 15 ASN CB C 15 38.404 38.768 -0.364 1
1 147 . 14 1 1 A 15 15 ASN N N 15 112.918 117.235 -4.317 1
1 150 . 14 1 1 A 16 16 TYR H H 16 7.622 7.631 -0.009 1
1 151 . 14 1 1 A 16 16 TYR HA H 16 4.445 4.645 -0.200 1
1 159 . 14 1 1 A 16 16 TYR C C 16 175.773 176.074 -0.301 1
1 160 . 14 1 1 A 16 16 TYR CA C 16 60.125 57.844 2.281 1
1 161 . 14 1 1 A 16 16 TYR CB C 16 38.590 38.242 0.348 1
1 166 . 14 1 1 A 16 16 TYR N N 16 121.437 121.767 -0.330 1
1 167 . 14 1 1 A 17 17 ASP H H 17 8.722 9.157 -0.435 1
1 168 . 14 1 1 A 17 17 ASP HA H 17 4.599 4.798 -0.199 1
1 171 . 14 1 1 A 17 17 ASP C C 17 175.748 176.768 -1.020 1
1 172 . 14 1 1 A 17 17 ASP CA C 17 52.327 53.776 -1.449 1
1 173 . 14 1 1 A 17 17 ASP CB C 17 42.265 40.819 1.446 1
1 174 . 14 1 1 A 17 17 ASP N N 17 130.345 128.533 1.812 1
1 175 . 14 1 1 A 18 18 GLY H H 18 4.504 6.997 -2.493 1
1 176 . 14 1 1 A 18 18 GLY HA2 H 18 4.092 3.256 0.836 1
1 177 . 14 1 1 A 18 18 GLY HA3 H 18 3.786 3.881 -0.095 1
1 178 . 14 1 1 A 18 18 GLY C C 18 174.732 174.259 0.473 1
1 179 . 14 1 1 A 18 18 GLY CA C 18 44.739 44.028 0.711 1
1 180 . 14 1 1 A 18 18 GLY N N 18 104.445 107.650 -3.205 1
1 181 . 14 1 1 A 19 19 LYS H H 19 9.272 8.261 1.011 1
1 182 . 14 1 1 A 19 19 LYS HA H 19 3.248 3.259 -0.011 1
1 191 . 14 1 1 A 19 19 LYS C C 19 176.409 176.491 -0.082 1
1 192 . 14 1 1 A 19 19 LYS CA C 19 55.454 55.138 0.316 1
1 193 . 14 1 1 A 19 19 LYS CB C 19 32.499 32.214 0.285 1
1 197 . 14 1 1 A 19 19 LYS N N 19 117.569 116.244 1.325 1
1 198 . 14 1 1 A 20 20 ILE H H 20 7.559 7.623 -0.064 1
1 199 . 14 1 1 A 20 20 ILE HA H 20 3.991 4.079 -0.088 1
1 209 . 14 1 1 A 20 20 ILE C C 20 176.756 177.158 -0.402 1
1 210 . 14 1 1 A 20 20 ILE CA C 20 64.261 62.369 1.892 1
1 211 . 14 1 1 A 20 20 ILE CB C 20 36.212 37.936 -1.724 1
1 215 . 14 1 1 A 20 20 ILE N N 20 122.778 122.890 -0.112 1
1 216 . 14 1 1 A 21 21 SER H H 21 8.817 9.017 -0.200 1
1 217 . 14 1 1 A 21 21 SER HA H 21 5.128 5.068 0.060 1
1 220 . 14 1 1 A 21 21 SER C C 21 172.708 173.647 -0.939 1
1 221 . 14 1 1 A 21 21 SER CA C 21 57.513 57.519 -0.006 1
1 222 . 14 1 1 A 21 21 SER CB C 21 65.126 64.636 0.490 1
1 223 . 14 1 1 A 21 21 SER N N 21 122.859 119.766 3.093 1
1 224 . 14 1 1 A 22 22 LYS H H 22 7.150 7.710 -0.560 1
1 225 . 14 1 1 A 22 22 LYS HA H 22 5.530 5.317 0.213 1
1 234 . 14 1 1 A 22 22 LYS C C 22 176.120 176.263 -0.143 1
1 235 . 14 1 1 A 22 22 LYS CA C 22 53.471 54.676 -1.205 1
1 236 . 14 1 1 A 22 22 LYS CB C 22 37.049 36.060 0.989 1
1 240 . 14 1 1 A 22 22 LYS N N 22 119.681 121.008 -1.327 1
1 241 . 14 1 1 A 23 23 THR H H 23 9.134 9.045 0.089 1
1 242 . 14 1 1 A 23 23 THR HA H 23 4.630 4.724 -0.094 1
1 248 . 14 1 1 A 23 23 THR C C 23 177.971 176.124 1.847 1
1 249 . 14 1 1 A 23 23 THR CA C 23 61.032 60.723 0.309 1
1 250 . 14 1 1 A 23 23 THR CB C 23 70.818 71.570 -0.752 1
1 252 . 14 1 1 A 23 23 THR N N 23 111.072 113.875 -2.803 1
1 253 . 14 1 1 A 24 24 MET H H 24 9.383 9.231 0.152 1
1 254 . 14 1 1 A 24 24 MET HA H 24 4.168 4.217 -0.049 1
1 259 . 14 1 1 A 24 24 MET C C 24 176.122 177.443 -1.321 1
1 260 . 14 1 1 A 24 24 MET CA C 24 58.704 57.623 1.081 1
1 261 . 14 1 1 A 24 24 MET CB C 24 32.546 32.474 0.072 1
1 263 . 14 1 1 A 24 24 MET N N 24 118.120 119.951 -1.831 1
1 264 . 14 1 1 A 25 25 SER H H 25 7.763 8.217 -0.454 1
1 265 . 14 1 1 A 25 25 SER HA H 25 4.575 4.540 0.035 1
1 269 . 14 1 1 A 25 25 SER C C 25 174.848 174.692 0.156 1
1 270 . 14 1 1 A 25 25 SER CA C 25 58.895 58.883 0.012 1
1 271 . 14 1 1 A 25 25 SER CB C 25 62.844 63.841 -0.997 1
1 272 . 14 1 1 A 25 25 SER N N 25 113.626 113.497 0.129 1
1 273 . 14 1 1 A 26 26 GLY H H 26 8.136 8.234 -0.098 1
1 274 . 14 1 1 A 26 26 GLY HA2 H 26 4.305 3.931 0.374 1
1 275 . 14 1 1 A 26 26 GLY HA3 H 26 3.503 3.938 -0.435 1
1 276 . 14 1 1 A 26 26 GLY C C 26 174.212 174.786 -0.574 1
1 277 . 14 1 1 A 26 26 GLY CA C 26 45.125 45.566 -0.441 1
1 278 . 14 1 1 A 26 26 GLY N N 26 110.819 109.820 0.999 1
1 279 . 14 1 1 A 27 27 LEU H H 27 7.183 8.477 -1.294 1
1 280 . 14 1 1 A 27 27 LEU HA H 27 4.319 4.501 -0.182 1
1 290 . 14 1 1 A 27 27 LEU C C 27 176.178 176.416 -0.238 1
1 291 . 14 1 1 A 27 27 LEU CA C 27 54.211 54.269 -0.058 1
1 292 . 14 1 1 A 27 27 LEU CB C 27 42.260 42.612 -0.352 1
1 296 . 14 1 1 A 27 27 LEU N N 27 120.765 122.010 -1.245 1
1 297 . 14 1 1 A 28 28 GLU H H 28 8.699 8.668 0.031 1
1 298 . 14 1 1 A 28 28 GLU HA H 28 4.506 4.455 0.051 1
1 303 . 14 1 1 A 28 28 GLU C C 28 177.161 176.545 0.616 1
1 304 . 14 1 1 A 28 28 GLU CA C 28 56.451 56.208 0.243 1
1 305 . 14 1 1 A 28 28 GLU CB C 28 30.018 30.720 -0.702 1
1 307 . 14 1 1 A 28 28 GLU N N 28 122.582 120.972 1.610 1
1 308 . 14 1 1 A 29 29 CYS H H 29 8.624 8.980 -0.356 1
1 309 . 14 1 1 A 29 29 CYS HA H 29 4.812 4.878 -0.066 1
1 312 . 14 1 1 A 29 29 CYS C C 29 177.045 173.119 3.926 1
1 313 . 14 1 1 A 29 29 CYS CA C 29 55.189 56.115 -0.926 1
1 314 . 14 1 1 A 29 29 CYS CB C 29 37.938 43.197 -5.259 1
1 315 . 14 1 1 A 29 29 CYS N N 29 125.564 124.872 0.692 1
1 316 . 14 1 1 A 30 30 GLN H H 30 9.664 9.029 0.635 1
1 317 . 14 1 1 A 30 30 GLN HA H 30 3.841 4.482 -0.641 1
1 324 . 14 1 1 A 30 30 GLN C C 30 175.310 175.981 -0.671 1
1 325 . 14 1 1 A 30 30 GLN CA C 30 55.501 54.993 0.508 1
1 326 . 14 1 1 A 30 30 GLN CB C 30 29.943 29.906 0.037 1
1 328 . 14 1 1 A 30 30 GLN N N 30 127.687 125.139 2.548 1
1 330 . 14 1 1 A 31 31 ALA H H 31 8.728 8.727 0.001 1
1 331 . 14 1 1 A 31 31 ALA HA H 31 4.052 4.654 -0.602 1
1 335 . 14 1 1 A 31 31 ALA C C 31 178.722 178.657 0.065 1
1 336 . 14 1 1 A 31 31 ALA CA C 31 52.327 52.851 -0.524 1
1 337 . 14 1 1 A 31 31 ALA CB C 31 18.034 19.631 -1.597 1
1 338 . 14 1 1 A 31 31 ALA N N 31 128.680 128.622 0.058 1
1 339 . 14 1 1 A 32 32 TRP H H 32 7.703 8.662 -0.959 1
1 340 . 14 1 1 A 32 32 TRP HA H 32 4.244 4.580 -0.336 1
1 349 . 14 1 1 A 32 32 TRP C C 32 177.566 178.354 -0.788 1
1 350 . 14 1 1 A 32 32 TRP CA C 32 59.531 59.749 -0.218 1
1 351 . 14 1 1 A 32 32 TRP CB C 32 29.953 29.398 0.555 1
1 357 . 14 1 1 A 32 32 TRP N N 32 123.505 124.395 -0.890 1
1 359 . 14 1 1 A 33 33 ASP H H 33 8.797 8.002 0.795 1
1 360 . 14 1 1 A 33 33 ASP HA H 33 4.634 4.720 -0.086 1
1 363 . 14 1 1 A 33 33 ASP C C 33 175.831 176.075 -0.244 1
1 364 . 14 1 1 A 33 33 ASP CA C 33 54.398 56.155 -1.757 1
1 365 . 14 1 1 A 33 33 ASP CB C 33 40.707 41.529 -0.822 1
1 366 . 14 1 1 A 33 33 ASP N N 33 113.424 120.277 -6.853 1
1 367 . 14 1 1 A 34 34 SER H H 34 8.039 8.003 0.036 1
1 368 . 14 1 1 A 34 34 SER HA H 34 4.737 4.678 0.059 1
1 372 . 14 1 1 A 34 34 SER C C 34 174.096 175.308 -1.212 1
1 373 . 14 1 1 A 34 34 SER CA C 34 56.454 57.178 -0.724 1
1 374 . 14 1 1 A 34 34 SER CB C 34 65.137 64.605 0.532 1
1 375 . 14 1 1 A 34 34 SER N N 34 114.429 116.472 -2.043 1
1 376 . 14 1 1 A 35 35 GLN H H 35 8.387 8.648 -0.261 1
1 377 . 14 1 1 A 35 35 GLN HA H 35 4.426 4.583 -0.157 1
1 384 . 14 1 1 A 35 35 GLN C C 35 173.518 175.351 -1.833 1
1 385 . 14 1 1 A 35 35 GLN CA C 35 54.020 56.322 -2.302 1
1 386 . 14 1 1 A 35 35 GLN CB C 35 28.804 28.994 -0.190 1
1 388 . 14 1 1 A 35 35 GLN N N 35 123.700 125.385 -1.685 1
1 390 . 14 1 1 A 36 36 SER H H 36 7.746 7.190 0.556 1
1 391 . 14 1 1 A 36 36 SER HA H 36 4.466 4.830 -0.364 1
1 395 . 14 1 1 A 36 36 SER C C 36 172.824 173.729 -0.905 1
1 396 . 14 1 1 A 36 36 SER CA C 36 54.749 54.982 -0.233 1
1 397 . 14 1 1 A 36 36 SER CB C 36 65.162 64.885 0.277 1
1 398 . 14 1 1 A 36 36 SER N N 36 112.974 111.742 1.232 1
1 399 . 14 1 1 A 37 37 PRO HA H 37 4.382 4.504 -0.122 1
1 406 . 14 1 1 A 37 37 PRO C C 37 176.351 176.170 0.181 1
1 407 . 14 1 1 A 37 37 PRO CA C 37 64.110 64.165 -0.055 1
1 408 . 14 1 1 A 37 37 PRO CB C 37 33.670 31.971 1.699 1
1 411 . 14 1 1 A 38 38 HIS H H 38 8.764 7.501 1.263 1
1 412 . 14 1 1 A 38 38 HIS HA H 38 4.897 4.697 0.200 1
1 417 . 14 1 1 A 38 38 HIS C C 38 178.144 174.645 3.499 1
1 418 . 14 1 1 A 38 38 HIS CA C 38 55.580 55.677 -0.097 1
1 419 . 14 1 1 A 38 38 HIS CB C 38 30.421 30.196 0.225 1
1 422 . 14 1 1 A 38 38 HIS N N 38 122.516 117.273 5.243 1
1 423 . 14 1 1 A 39 39 ALA H H 39 8.673 8.664 0.009 1
1 424 . 14 1 1 A 39 39 ALA HA H 39 4.493 4.696 -0.203 1
1 428 . 14 1 1 A 39 39 ALA C C 39 178.375 177.141 1.234 1
1 429 . 14 1 1 A 39 39 ALA CA C 39 51.440 52.218 -0.778 1
1 430 . 14 1 1 A 39 39 ALA CB C 39 18.980 19.420 -0.440 1
1 431 . 14 1 1 A 39 39 ALA N N 39 128.546 128.078 0.468 1
1 432 . 14 1 1 A 40 40 HIS H H 40 9.291 9.294 -0.003 1
1 433 . 14 1 1 A 40 40 HIS HA H 40 4.734 5.359 -0.625 1
1 439 . 14 1 1 A 40 40 HIS C C 40 175.484 174.951 0.533 1
1 440 . 14 1 1 A 40 40 HIS CA C 40 56.141 53.790 2.351 1
1 441 . 14 1 1 A 40 40 HIS CB C 40 35.545 31.798 3.747 1
1 444 . 14 1 1 A 40 40 HIS N N 40 120.682 116.440 4.242 1
1 445 . 14 1 1 A 41 41 GLY H H 41 9.080 8.997 0.083 1
1 446 . 14 1 1 A 41 41 GLY HA2 H 41 4.602 3.791 0.811 1
1 447 . 14 1 1 A 41 41 GLY HA3 H 41 3.671 3.835 -0.164 1
1 448 . 14 1 1 A 41 41 GLY C C 41 176.409 173.841 2.568 1
1 449 . 14 1 1 A 41 41 GLY CA C 41 44.724 45.346 -0.622 1
1 450 . 14 1 1 A 41 41 GLY N N 41 106.159 108.583 -2.424 1
1 451 . 14 1 1 A 42 42 TYR H H 42 11.980 8.332 3.648 1
1 452 . 14 1 1 A 42 42 TYR HA H 42 4.616 5.232 -0.616 1
1 459 . 14 1 1 A 42 42 TYR C C 42 174.385 175.313 -0.928 1
1 460 . 14 1 1 A 42 42 TYR CA C 42 57.579 57.117 0.462 1
1 461 . 14 1 1 A 42 42 TYR CB C 42 36.198 36.975 -0.777 1
1 466 . 14 1 1 A 42 42 TYR N N 42 133.554 119.961 13.593 1
1 467 . 14 1 1 A 43 43 ILE H H 43 7.120 8.096 -0.976 1
1 468 . 14 1 1 A 43 43 ILE HA H 43 4.630 4.474 0.156 1
1 478 . 14 1 1 A 43 43 ILE C C 43 177.219 176.203 1.016 1
1 479 . 14 1 1 A 43 43 ILE CA C 43 58.201 59.125 -0.924 1
1 480 . 14 1 1 A 43 43 ILE CB C 43 38.761 37.951 0.810 1
1 484 . 14 1 1 A 43 43 ILE N N 43 118.881 125.232 -6.351 1
1 485 . 14 1 1 A 44 44 PRO HA H 44 4.193 4.371 -0.178 1
1 492 . 14 1 1 A 44 44 PRO C C 44 178.780 177.904 0.876 1
1 493 . 14 1 1 A 44 44 PRO CA C 44 67.061 64.483 2.578 1
1 494 . 14 1 1 A 44 44 PRO CB C 44 32.267 31.990 0.277 1
1 497 . 14 1 1 A 45 45 SER H H 45 7.984 8.279 -0.295 1
1 498 . 14 1 1 A 45 45 SER HA H 45 4.087 4.284 -0.197 1
1 502 . 14 1 1 A 45 45 SER C C 45 176.004 175.816 0.188 1
1 503 . 14 1 1 A 45 45 SER CA C 45 60.161 60.927 -0.766 1
1 504 . 14 1 1 A 45 45 SER CB C 45 62.260 63.401 -1.141 1
1 505 . 14 1 1 A 45 45 SER N N 45 107.865 113.016 -5.151 1
1 506 . 14 1 1 A 46 46 LYS H H 46 7.769 7.748 0.021 1
1 507 . 14 1 1 A 46 46 LYS HA H 46 3.965 4.100 -0.135 1
1 516 . 14 1 1 A 46 46 LYS C C 46 175.831 176.323 -0.492 1
1 517 . 14 1 1 A 46 46 LYS CA C 46 57.349 57.295 0.054 1
1 518 . 14 1 1 A 46 46 LYS CB C 46 33.283 32.582 0.701 1
1 522 . 14 1 1 A 46 46 LYS N N 46 121.944 116.951 4.993 1
1 523 . 14 1 1 A 47 47 PHE H H 47 7.018 7.382 -0.364 1
1 524 . 14 1 1 A 47 47 PHE HA H 47 5.244 5.112 0.132 1
1 532 . 14 1 1 A 47 47 PHE C C 47 174.790 174.594 0.196 1
1 533 . 14 1 1 A 47 47 PHE CA C 47 54.142 54.663 -0.521 1
1 534 . 14 1 1 A 47 47 PHE CB C 47 39.434 38.829 0.605 1
1 539 . 14 1 1 A 47 47 PHE N N 47 115.480 119.214 -3.734 1
1 540 . 14 1 1 A 48 48 PRO HA H 48 4.472 4.554 -0.082 1
1 547 . 14 1 1 A 48 48 PRO C C 48 177.681 177.628 0.053 1
1 548 . 14 1 1 A 48 48 PRO CA C 48 65.513 64.875 0.638 1
1 549 . 14 1 1 A 48 48 PRO CB C 48 31.712 31.538 0.174 1
1 552 . 14 1 1 A 49 49 ASN H H 49 8.559 8.360 0.199 1
1 553 . 14 1 1 A 49 49 ASN HA H 49 4.818 4.551 0.267 1
1 558 . 14 1 1 A 49 49 ASN C C 49 175.715 176.774 -1.059 1
1 559 . 14 1 1 A 49 49 ASN CA C 49 53.372 55.802 -2.430 1
1 560 . 14 1 1 A 49 49 ASN CB C 49 37.351 38.417 -1.066 1
1 561 . 14 1 1 A 49 49 ASN N N 49 114.836 116.926 -2.090 1
1 563 . 14 1 1 A 50 50 LYS H H 50 7.627 7.625 0.002 1
1 564 . 14 1 1 A 50 50 LYS HA H 50 4.480 4.338 0.142 1
1 573 . 14 1 1 A 50 50 LYS C C 50 175.079 175.926 -0.847 1
1 574 . 14 1 1 A 50 50 LYS CA C 50 53.336 56.058 -2.722 1
1 575 . 14 1 1 A 50 50 LYS CB C 50 31.284 32.272 -0.988 1
1 579 . 14 1 1 A 50 50 LYS N N 50 116.224 116.390 -0.166 1
1 580 . 14 1 1 A 51 51 ASN H H 51 7.945 8.085 -0.140 1
1 581 . 14 1 1 A 51 51 ASN HA H 51 4.304 4.340 -0.036 1
1 586 . 14 1 1 A 51 51 ASN C C 51 175.195 174.304 0.891 1
1 587 . 14 1 1 A 51 51 ASN CA C 51 54.089 54.420 -0.331 1
1 588 . 14 1 1 A 51 51 ASN CB C 51 36.504 37.609 -1.105 1
1 589 . 14 1 1 A 51 51 ASN N N 51 115.331 116.604 -1.273 1
1 591 . 14 1 1 A 52 52 LEU H H 52 8.803 7.986 0.817 1
1 592 . 14 1 1 A 52 52 LEU HA H 52 3.412 3.779 -0.367 1
1 602 . 14 1 1 A 52 52 LEU C C 52 174.674 175.711 -1.037 1
1 603 . 14 1 1 A 52 52 LEU CA C 52 53.983 54.676 -0.693 1
1 604 . 14 1 1 A 52 52 LEU CB C 52 42.471 39.833 2.638 1
1 608 . 14 1 1 A 52 52 LEU N N 52 121.765 120.165 1.600 1
1 609 . 14 1 1 A 53 53 LYS H H 53 7.099 8.356 -1.257 1
1 610 . 14 1 1 A 53 53 LYS HA H 53 4.324 4.832 -0.508 1
1 619 . 14 1 1 A 53 53 LYS C C 53 173.460 176.623 -3.163 1
1 620 . 14 1 1 A 53 53 LYS CA C 53 54.843 54.447 0.396 1
1 621 . 14 1 1 A 53 53 LYS CB C 53 36.395 35.501 0.894 1
1 625 . 14 1 1 A 53 53 LYS N N 53 124.403 124.041 0.362 1
1 626 . 14 1 1 A 54 54 LYS H H 54 8.805 8.925 -0.120 1
1 627 . 14 1 1 A 54 54 LYS HA H 54 3.692 3.891 -0.199 1
1 636 . 14 1 1 A 54 54 LYS C C 54 173.344 176.241 -2.897 1
1 637 . 14 1 1 A 54 54 LYS CA C 54 56.366 58.237 -1.871 1
1 638 . 14 1 1 A 54 54 LYS CB C 54 29.830 30.794 -0.964 1
1 642 . 14 1 1 A 54 54 LYS N N 54 118.125 117.603 0.522 1
1 643 . 14 1 1 A 55 55 ASN H H 55 7.567 8.258 -0.691 1
1 644 . 14 1 1 A 55 55 ASN HA H 55 4.643 4.714 -0.071 1
1 649 . 14 1 1 A 55 55 ASN C C 55 172.188 175.196 -3.008 1
1 650 . 14 1 1 A 55 55 ASN CA C 55 51.091 51.876 -0.785 1
1 651 . 14 1 1 A 55 55 ASN CB C 55 37.234 38.900 -1.666 1
1 652 . 14 1 1 A 55 55 ASN N N 55 123.893 121.906 1.987 1
1 654 . 14 1 1 A 56 56 TYR H H 56 7.584 7.933 -0.349 1
1 655 . 14 1 1 A 56 56 TYR HA H 56 4.892 4.829 0.063 1
1 662 . 14 1 1 A 56 56 TYR C C 56 177.276 176.003 1.273 1
1 663 . 14 1 1 A 56 56 TYR CA C 56 54.447 58.923 -4.476 1
1 664 . 14 1 1 A 56 56 TYR CB C 56 38.633 39.245 -0.612 1
1 669 . 14 1 1 A 56 56 TYR N N 56 115.237 120.237 -5.000 1
1 670 . 14 1 1 A 57 57 CYS H H 57 9.149 9.356 -0.207 1
1 671 . 14 1 1 A 57 57 CYS HA H 57 4.398 4.715 -0.317 1
1 674 . 14 1 1 A 57 57 CYS C C 57 175.600 174.564 1.036 1
1 675 . 14 1 1 A 57 57 CYS CA C 57 59.824 57.074 2.750 1
1 676 . 14 1 1 A 57 57 CYS CB C 57 48.356 42.328 6.028 1
1 677 . 14 1 1 A 57 57 CYS N N 57 119.273 122.148 -2.875 1
1 678 . 14 1 1 A 58 58 ARG H H 58 9.138 8.507 0.631 1
1 679 . 14 1 1 A 58 58 ARG HA H 58 4.918 5.173 -0.255 1
1 687 . 14 1 1 A 58 58 ARG C C 58 173.576 174.313 -0.737 1
1 688 . 14 1 1 A 58 58 ARG CA C 58 53.187 54.340 -1.153 1
1 689 . 14 1 1 A 58 58 ARG CB C 58 29.412 34.345 -4.933 1
1 692 . 14 1 1 A 58 58 ARG N N 58 122.881 124.664 -1.783 1
1 694 . 14 1 1 A 59 59 ASN H H 59 8.868 8.720 0.148 1
1 695 . 14 1 1 A 59 59 ASN HA H 59 5.513 5.129 0.384 1
1 700 . 14 1 1 A 59 59 ASN C C 59 172.824 174.530 -1.706 1
1 701 . 14 1 1 A 59 59 ASN CA C 59 53.176 49.949 3.227 1
1 702 . 14 1 1 A 59 59 ASN CB C 59 37.237 39.537 -2.300 1
1 703 . 14 1 1 A 59 59 ASN N N 59 113.603 120.091 -6.488 1
1 705 . 14 1 1 A 60 60 PRO HA H 60 4.712 4.353 0.359 1
1 712 . 14 1 1 A 60 60 PRO C C 60 175.715 177.721 -2.006 1
1 713 . 14 1 1 A 60 60 PRO CA C 60 63.643 64.456 -0.813 1
1 714 . 14 1 1 A 60 60 PRO CB C 60 32.507 31.632 0.875 1
1 717 . 14 1 1 A 61 61 ASP H H 61 8.883 8.004 0.879 1
1 718 . 14 1 1 A 61 61 ASP HA H 61 4.495 4.479 0.016 1
1 721 . 14 1 1 A 61 61 ASP C C 61 174.848 175.131 -0.283 1
1 722 . 14 1 1 A 61 61 ASP CA C 61 51.953 53.145 -1.192 1
1 723 . 14 1 1 A 61 61 ASP CB C 61 42.092 39.951 2.141 1
1 724 . 14 1 1 A 61 61 ASP N N 61 118.660 116.197 2.463 1
1 725 . 14 1 1 A 62 62 ARG H H 62 8.395 7.718 0.677 1
1 726 . 14 1 1 A 62 62 ARG HA H 62 3.789 4.203 -0.414 1
1 734 . 14 1 1 A 62 62 ARG C C 62 176.236 174.571 1.665 1
1 735 . 14 1 1 A 62 62 ARG CA C 62 57.318 56.996 0.322 1
1 736 . 14 1 1 A 62 62 ARG CB C 62 26.990 27.561 -0.571 1
1 739 . 14 1 1 A 62 62 ARG N N 62 116.013 114.970 1.043 1
1 741 . 14 1 1 A 63 63 ASP H H 63 9.735 7.898 1.837 1
1 742 . 14 1 1 A 63 63 ASP HA H 63 4.769 4.641 0.128 1
1 745 . 14 1 1 A 63 63 ASP C C 63 177.334 176.760 0.574 1
1 746 . 14 1 1 A 63 63 ASP CA C 63 51.973 52.823 -0.850 1
1 747 . 14 1 1 A 63 63 ASP CB C 63 42.698 42.582 0.116 1
1 748 . 14 1 1 A 63 63 ASP N N 63 121.799 118.108 3.691 1
1 749 . 14 1 1 A 64 64 LEU H H 64 10.919 8.563 2.356 1
1 750 . 14 1 1 A 64 64 LEU HA H 64 3.995 4.117 -0.122 1
1 760 . 14 1 1 A 64 64 LEU C C 64 176.467 176.957 -0.490 1
1 761 . 14 1 1 A 64 64 LEU CA C 64 57.772 57.000 0.772 1
1 762 . 14 1 1 A 64 64 LEU CB C 64 43.630 42.366 1.264 1
1 766 . 14 1 1 A 64 64 LEU N N 64 121.789 122.650 -0.861 1
1 767 . 14 1 1 A 65 65 ARG H H 65 7.633 7.910 -0.277 1
1 768 . 14 1 1 A 65 65 ARG HA H 65 5.006 5.036 -0.030 1
1 776 . 14 1 1 A 65 65 ARG C C 65 172.130 174.069 -1.939 1
1 777 . 14 1 1 A 65 65 ARG CA C 65 53.368 54.298 -0.930 1
1 778 . 14 1 1 A 65 65 ARG CB C 65 28.429 32.522 -4.093 1
1 781 . 14 1 1 A 65 65 ARG N N 65 108.790 113.206 -4.416 1
1 783 . 14 1 1 A 66 66 PRO HA H 66 4.281 4.714 -0.433 1
1 790 . 14 1 1 A 66 66 PRO C C 66 172.940 176.215 -3.275 1
1 791 . 14 1 1 A 66 66 PRO CA C 66 63.677 63.302 0.375 1
1 792 . 14 1 1 A 66 66 PRO CB C 66 32.592 32.908 -0.316 1
1 795 . 14 1 1 A 67 67 TRP H H 67 8.716 8.555 0.161 1
1 796 . 14 1 1 A 67 67 TRP HA H 67 5.406 5.304 0.102 1
1 805 . 14 1 1 A 67 67 TRP C C 67 172.919 173.769 -0.850 1
1 806 . 14 1 1 A 67 67 TRP CA C 67 56.035 55.477 0.558 1
1 807 . 14 1 1 A 67 67 TRP CB C 67 34.026 31.497 2.529 1
1 813 . 14 1 1 A 67 67 TRP N N 67 121.250 118.339 2.911 1
1 815 . 14 1 1 A 68 68 CYS H H 68 8.384 8.857 -0.473 1
1 816 . 14 1 1 A 68 68 CYS HA H 68 4.265 4.694 -0.429 1
1 819 . 14 1 1 A 68 68 CYS C C 68 175.079 172.818 2.261 1
1 820 . 14 1 1 A 68 68 CYS CA C 68 55.876 55.212 0.664 1
1 821 . 14 1 1 A 68 68 CYS CB C 68 42.232 45.996 -3.764 1
1 822 . 14 1 1 A 68 68 CYS N N 68 109.624 117.523 -7.899 1
1 823 . 14 1 1 A 69 69 PHE H H 69 8.031 8.299 -0.268 1
1 824 . 14 1 1 A 69 69 PHE HA H 69 5.420 4.973 0.447 1
1 832 . 14 1 1 A 69 69 PHE C C 69 176.814 175.489 1.325 1
1 833 . 14 1 1 A 69 69 PHE CA C 69 59.299 57.572 1.727 1
1 834 . 14 1 1 A 69 69 PHE CB C 69 38.411 39.728 -1.317 1
1 840 . 14 1 1 A 69 69 PHE N N 69 120.433 121.134 -0.701 1
1 841 . 14 1 1 A 70 70 THR H H 70 8.002 8.902 -0.900 1
1 842 . 14 1 1 A 70 70 THR HA H 70 5.408 4.531 0.877 1
1 848 . 14 1 1 A 70 70 THR C C 70 173.518 175.374 -1.856 1
1 849 . 14 1 1 A 70 70 THR CA C 70 61.208 62.228 -1.020 1
1 850 . 14 1 1 A 70 70 THR CB C 70 70.441 69.788 0.653 1
1 852 . 14 1 1 A 70 70 THR N N 70 112.351 118.818 -6.467 1
1 853 . 14 1 1 A 71 71 THR H H 71 8.126 8.379 -0.253 1
1 854 . 14 1 1 A 71 71 THR HA H 71 4.037 4.372 -0.335 1
1 860 . 14 1 1 A 71 71 THR C C 71 174.903 173.799 1.104 1
1 861 . 14 1 1 A 71 71 THR CA C 71 62.413 63.549 -1.136 1
1 862 . 14 1 1 A 71 71 THR CB C 71 69.167 69.264 -0.097 1
1 864 . 14 1 1 A 71 71 THR N N 71 104.863 119.437 -14.574 1
1 865 . 14 1 1 A 72 72 ASP H H 72 9.024 7.694 1.330 1
1 866 . 14 1 1 A 72 72 ASP HA H 72 4.936 4.769 0.167 1
1 869 . 14 1 1 A 72 72 ASP C C 72 176.929 176.237 0.692 1
1 870 . 14 1 1 A 72 72 ASP CA C 72 51.333 52.257 -0.924 1
1 871 . 14 1 1 A 72 72 ASP CB C 72 43.416 42.188 1.228 1
1 872 . 14 1 1 A 72 72 ASP N N 72 126.242 121.809 4.433 1
1 873 . 14 1 1 A 73 73 PRO HA H 73 3.962 4.170 -0.208 1
1 880 . 14 1 1 A 73 73 PRO C C 73 177.045 178.216 -1.171 1
1 881 . 14 1 1 A 73 73 PRO CA C 73 64.632 64.979 -0.347 1
1 882 . 14 1 1 A 73 73 PRO CB C 73 32.460 31.890 0.570 1
1 885 . 14 1 1 A 74 74 ASN H H 74 8.943 8.039 0.904 1
1 886 . 14 1 1 A 74 74 ASN HA H 74 4.854 4.622 0.232 1
1 891 . 14 1 1 A 74 74 ASN C C 74 174.443 175.749 -1.306 1
1 892 . 14 1 1 A 74 74 ASN CA C 74 53.380 55.883 -2.503 1
1 893 . 14 1 1 A 74 74 ASN CB C 74 39.333 38.987 0.346 1
1 894 . 14 1 1 A 74 74 ASN N N 74 114.144 114.868 -0.724 1
1 896 . 14 1 1 A 75 75 LYS H H 75 7.795 7.683 0.112 1
1 897 . 14 1 1 A 75 75 LYS HA H 75 4.571 4.283 0.288 1
1 906 . 14 1 1 A 75 75 LYS C C 75 173.402 176.025 -2.623 1
1 907 . 14 1 1 A 75 75 LYS CA C 75 54.154 56.108 -1.954 1
1 908 . 14 1 1 A 75 75 LYS CB C 75 32.186 33.285 -1.099 1
1 912 . 14 1 1 A 75 75 LYS N N 75 122.835 118.809 4.026 1
1 913 . 14 1 1 A 76 76 ARG H H 76 9.132 8.768 0.364 1
1 914 . 14 1 1 A 76 76 ARG HA H 76 4.555 3.513 1.042 1
1 922 . 14 1 1 A 76 76 ARG C C 76 175.137 175.933 -0.796 1
1 923 . 14 1 1 A 76 76 ARG CA C 76 60.532 58.113 2.419 1
1 924 . 14 1 1 A 76 76 ARG CB C 76 29.307 31.367 -2.060 1
1 927 . 14 1 1 A 76 76 ARG N N 76 129.676 127.679 1.997 1
1 929 . 14 1 1 A 77 77 TRP H H 77 7.559 7.321 0.238 1
1 930 . 14 1 1 A 77 77 TRP HA H 77 5.357 5.244 0.113 1
1 939 . 14 1 1 A 77 77 TRP C C 77 172.940 173.788 -0.848 1
1 940 . 14 1 1 A 77 77 TRP CA C 77 55.044 55.033 0.011 1
1 941 . 14 1 1 A 77 77 TRP CB C 77 31.951 33.258 -1.307 1
1 947 . 14 1 1 A 77 77 TRP N N 77 109.174 114.389 -5.215 1
1 949 . 14 1 1 A 78 78 GLU H H 78 8.638 8.656 -0.018 1
1 950 . 14 1 1 A 78 78 GLU HA H 78 3.671 4.646 -0.975 1
1 955 . 14 1 1 A 78 78 GLU C C 78 174.501 175.013 -0.512 1
1 956 . 14 1 1 A 78 78 GLU CA C 78 55.659 55.452 0.207 1
1 957 . 14 1 1 A 78 78 GLU CB C 78 34.557 34.025 0.532 1
1 959 . 14 1 1 A 78 78 GLU N N 78 118.907 119.880 -0.973 1
1 960 . 14 1 1 A 79 79 TYR H H 79 7.636 8.933 -1.297 1
1 961 . 14 1 1 A 79 79 TYR HA H 79 4.995 4.898 0.097 1
1 968 . 14 1 1 A 79 79 TYR C C 79 175.889 176.296 -0.407 1
1 969 . 14 1 1 A 79 79 TYR CA C 79 60.120 58.983 1.137 1
1 970 . 14 1 1 A 79 79 TYR CB C 79 39.789 38.904 0.885 1
1 975 . 14 1 1 A 79 79 TYR N N 79 119.277 120.517 -1.240 1
1 976 . 14 1 1 A 80 80 CYS H H 80 9.398 9.415 -0.017 1
1 977 . 14 1 1 A 80 80 CYS HA H 80 4.720 5.348 -0.628 1
1 980 . 14 1 1 A 80 80 CYS C C 80 172.419 172.331 0.088 1
1 981 . 14 1 1 A 80 80 CYS CA C 80 54.618 54.214 0.404 1
1 982 . 14 1 1 A 80 80 CYS CB C 80 46.736 43.776 2.960 1
1 983 . 14 1 1 A 80 80 CYS N N 80 118.623 120.601 -1.978 1
1 984 . 14 1 1 A 81 81 ASP H H 81 9.729 8.887 0.842 1
1 985 . 14 1 1 A 81 81 ASP HA H 81 4.781 4.723 0.058 1
1 988 . 14 1 1 A 81 81 ASP C C 81 173.576 174.731 -1.155 1
1 989 . 14 1 1 A 81 81 ASP CA C 81 52.855 53.332 -0.477 1
1 990 . 14 1 1 A 81 81 ASP CB C 81 40.733 40.480 0.253 1
1 991 . 14 1 1 A 81 81 ASP N N 81 124.777 126.517 -1.740 1
1 992 . 14 1 1 A 82 82 ILE H H 82 7.820 8.229 -0.409 1
1 993 . 14 1 1 A 82 82 ILE HA H 82 4.320 4.421 -0.101 1
1 1003 . 14 1 1 A 82 82 ILE C C 82 173.923 174.035 -0.112 1
1 1004 . 14 1 1 A 82 82 ILE CA C 82 56.118 58.061 -1.943 1
1 1005 . 14 1 1 A 82 82 ILE CB C 82 38.166 37.444 0.722 1
1 1009 . 14 1 1 A 82 82 ILE N N 82 125.281 126.307 -1.026 1
1 1010 . 14 1 1 A 83 83 PRO HA H 83 4.337 4.328 0.009 1
1 1017 . 14 1 1 A 83 83 PRO C C 83 175.167 175.222 -0.055 1
1 1018 . 14 1 1 A 83 83 PRO CA C 83 62.844 63.376 -0.532 1
1 1019 . 14 1 1 A 83 83 PRO CB C 83 32.450 31.875 0.575 1
1 1022 . 14 1 1 A 84 84 ARG H H 84 8.656 8.631 0.025 1
1 1023 . 14 1 1 A 84 84 ARG HA H 84 4.658 4.676 -0.018 1
1 1031 . 14 1 1 A 84 84 ARG C C 84 175.137 174.742 0.395 1
1 1032 . 14 1 1 A 84 84 ARG CA C 84 55.617 54.912 0.705 1
1 1033 . 14 1 1 A 84 84 ARG CB C 84 30.482 33.065 -2.583 1
1 1036 . 14 1 1 A 84 84 ARG N N 84 122.316 123.126 -0.810 1
1 1038 . 14 1 1 A 85 85 CYS H H 85 8.783 9.170 -0.387 1
1 1039 . 14 1 1 A 85 85 CYS HA H 85 4.479 5.016 -0.537 1
1 1042 . 14 1 1 A 85 85 CYS C C 85 174.906 173.709 1.197 1
1 1043 . 14 1 1 A 85 85 CYS CA C 85 54.177 54.424 -0.247 1
1 1044 . 14 1 1 A 85 85 CYS CB C 85 39.574 44.725 -5.151 1
1 1045 . 14 1 1 A 85 85 CYS N N 85 124.002 123.996 0.006 1
1 1046 . 14 1 1 A 86 86 ALA H H 86 8.746 8.641 0.105 1
1 1047 . 14 1 1 A 86 86 ALA HA H 86 4.255 4.346 -0.091 1
1 1051 . 14 1 1 A 86 86 ALA C C 86 176.236 177.379 -1.143 1
1 1052 . 14 1 1 A 86 86 ALA CA C 86 53.067 52.724 0.343 1
1 1053 . 14 1 1 A 86 86 ALA CB C 86 19.034 19.587 -0.553 1
1 1054 . 14 1 1 A 86 86 ALA N N 86 126.444 124.662 1.782 1
1 1064 . 14 2 2 B 2 2 SER HA H 100 4.570 4.168 0.402 1
1 1067 . 14 2 2 B 2 2 SER C C 100 174.779 174.112 0.667 1
1 1068 . 14 2 2 B 2 2 SER CA C 100 58.624 59.188 -0.564 1
1 1069 . 14 2 2 B 2 2 SER CB C 100 63.939 61.862 2.077 1
1 1070 . 14 2 2 B 3 3 VAL H H 101 8.341 7.776 0.565 1
1 1071 . 14 2 2 B 3 3 VAL HA H 101 4.151 3.892 0.259 1
1 1079 . 14 2 2 B 3 3 VAL C C 101 176.450 176.355 0.095 1
1 1080 . 14 2 2 B 3 3 VAL CA C 101 62.793 64.519 -1.726 1
1 1081 . 14 2 2 B 3 3 VAL CB C 101 32.495 32.058 0.437 1
1 1084 . 14 2 2 B 3 3 VAL N N 101 121.954 119.356 2.598 1
1 1085 . 14 2 2 B 4 4 GLU H H 102 8.521 7.859 0.662 1
1 1086 . 14 2 2 B 4 4 GLU HA H 102 4.291 4.332 -0.041 1
1 1091 . 14 2 2 B 4 4 GLU C C 102 176.450 176.566 -0.116 1
1 1092 . 14 2 2 B 4 4 GLU CA C 102 56.955 55.878 1.077 1
1 1093 . 14 2 2 B 4 4 GLU CB C 102 30.233 28.623 1.610 1
1 1095 . 14 2 2 B 4 4 GLU N N 102 124.722 122.328 2.394 1
1 1096 . 14 2 2 B 5 5 LYS H H 103 8.323 8.614 -0.291 1
1 1097 . 14 2 2 B 5 5 LYS HA H 103 4.313 4.554 -0.241 1
1 1106 . 14 2 2 B 5 5 LYS C C 103 176.784 177.762 -0.978 1
1 1107 . 14 2 2 B 5 5 LYS CA C 103 56.688 55.779 0.909 1
1 1108 . 14 2 2 B 5 5 LYS CB C 103 30.228 34.007 -3.779 1
1 1112 . 14 2 2 B 5 5 LYS N N 103 122.689 127.494 -4.805 1
1 1113 . 14 2 2 B 6 6 LEU H H 104 8.369 7.939 0.430 1
1 1114 . 14 2 2 B 6 6 LEU HA H 104 4.500 4.281 0.219 1
1 1124 . 14 2 2 B 6 6 LEU C C 104 177.632 176.916 0.716 1
1 1125 . 14 2 2 B 6 6 LEU CA C 104 55.480 55.595 -0.115 1
1 1126 . 14 2 2 B 6 6 LEU CB C 104 42.587 42.313 0.274 1
1 1130 . 14 2 2 B 6 6 LEU N N 104 123.373 119.779 3.594 1
1 1131 . 14 2 2 B 7 7 THR HA H 105 4.558 4.718 -0.160 1
1 1137 . 14 2 2 B 7 7 THR C C 105 175.614 175.183 0.431 1
1 1138 . 14 2 2 B 7 7 THR CA C 105 62.000 59.591 2.409 1
1 1139 . 14 2 2 B 7 7 THR CB C 105 70.090 71.556 -1.466 1
1 1141 . 14 2 2 B 8 8 ALA H H 106 8.649 9.098 -0.449 1
1 1142 . 14 2 2 B 8 8 ALA HA H 106 4.458 4.011 0.447 1
1 1146 . 14 2 2 B 8 8 ALA C C 106 179.290 179.530 -0.240 1
1 1147 . 14 2 2 B 8 8 ALA CA C 106 55.552 55.465 0.087 1
1 1148 . 14 2 2 B 8 8 ALA CB C 106 18.704 17.964 0.740 1
1 1149 . 14 2 2 B 8 8 ALA N N 106 124.857 125.184 -0.327 1
1 1150 . 14 2 2 B 9 9 ASP H H 107 8.286 8.518 -0.232 1
1 1151 . 14 2 2 B 9 9 ASP HA H 107 4.457 4.351 0.106 1
1 1154 . 14 2 2 B 9 9 ASP C C 107 178.845 178.124 0.721 1
1 1155 . 14 2 2 B 9 9 ASP CA C 107 57.733 56.828 0.905 1
1 1156 . 14 2 2 B 9 9 ASP CB C 107 40.881 40.268 0.613 1
1 1157 . 14 2 2 B 9 9 ASP N N 107 115.621 116.991 -1.370 1
1 1158 . 14 2 2 B 10 10 ALA H H 108 7.887 7.778 0.109 1
1 1159 . 14 2 2 B 10 10 ALA HA H 108 4.182 4.113 0.069 1
1 1163 . 14 2 2 B 10 10 ALA C C 108 180.906 179.465 1.441 1
1 1164 . 14 2 2 B 10 10 ALA CA C 108 55.014 55.005 0.009 1
1 1165 . 14 2 2 B 10 10 ALA CB C 108 18.631 18.180 0.451 1
1 1166 . 14 2 2 B 10 10 ALA N N 108 122.756 121.690 1.066 1
1 1167 . 14 2 2 B 11 11 GLU H H 109 8.390 7.918 0.472 1
1 1168 . 14 2 2 B 11 11 GLU HA H 109 4.256 4.127 0.129 1
1 1173 . 14 2 2 B 11 11 GLU C C 109 178.678 178.999 -0.321 1
1 1174 . 14 2 2 B 11 11 GLU CA C 109 59.105 59.038 0.067 1
1 1175 . 14 2 2 B 11 11 GLU CB C 109 29.559 29.470 0.089 1
1 1177 . 14 2 2 B 11 11 GLU N N 109 121.999 119.192 2.807 1
1 1178 . 14 2 2 B 12 12 LEU H H 110 8.395 8.765 -0.370 1
1 1179 . 14 2 2 B 12 12 LEU HA H 110 3.808 3.885 -0.077 1
1 1189 . 14 2 2 B 12 12 LEU C C 110 178.288 179.025 -0.737 1
1 1190 . 14 2 2 B 12 12 LEU CA C 110 58.407 57.811 0.596 1
1 1191 . 14 2 2 B 12 12 LEU CB C 110 41.329 41.431 -0.102 1
1 1195 . 14 2 2 B 12 12 LEU N N 110 119.939 120.219 -0.280 1
1 1196 . 14 2 2 B 13 13 GLN H H 111 7.761 8.558 -0.797 1
1 1197 . 14 2 2 B 13 13 GLN HA H 111 4.008 3.962 0.046 1
1 1202 . 14 2 2 B 13 13 GLN C C 111 177.954 178.409 -0.455 1
1 1203 . 14 2 2 B 13 13 GLN CA C 111 58.674 59.355 -0.681 1
1 1204 . 14 2 2 B 13 13 GLN CB C 111 28.513 28.240 0.273 1
1 1206 . 14 2 2 B 13 13 GLN N N 111 117.305 118.597 -1.292 1
1 1207 . 14 2 2 B 14 14 ARG H H 112 7.752 8.159 -0.407 1
1 1208 . 14 2 2 B 14 14 ARG HA H 112 4.053 4.175 -0.122 1
1 1216 . 14 2 2 B 14 14 ARG C C 112 179.625 178.987 0.638 1
1 1217 . 14 2 2 B 14 14 ARG CA C 112 59.770 59.152 0.618 1
1 1218 . 14 2 2 B 14 14 ARG CB C 112 29.884 30.093 -0.209 1
1 1221 . 14 2 2 B 14 14 ARG N N 112 121.241 120.408 0.833 1
1 1223 . 14 2 2 B 15 15 LEU H H 113 8.478 8.654 -0.176 1
1 1224 . 14 2 2 B 15 15 LEU HA H 113 3.974 3.994 -0.020 1
1 1234 . 14 2 2 B 15 15 LEU C C 113 180.627 179.193 1.434 1
1 1235 . 14 2 2 B 15 15 LEU CA C 113 58.251 57.737 0.514 1
1 1236 . 14 2 2 B 15 15 LEU CB C 113 41.751 41.308 0.443 1
1 1240 . 14 2 2 B 15 15 LEU N N 113 120.898 119.464 1.434 1
1 1241 . 14 2 2 B 16 16 LYS H H 114 8.437 8.286 0.151 1
1 1242 . 14 2 2 B 16 16 LYS HA H 114 3.368 3.795 -0.427 1
1 1251 . 14 2 2 B 16 16 LYS C C 114 178.288 178.839 -0.551 1
1 1252 . 14 2 2 B 16 16 LYS CA C 114 60.242 59.524 0.718 1
1 1253 . 14 2 2 B 16 16 LYS CB C 114 30.249 31.977 -1.728 1
1 1257 . 14 2 2 B 16 16 LYS N N 114 123.214 121.407 1.807 1
1 1258 . 14 2 2 B 17 17 ASN H H 115 8.137 8.969 -0.832 1
1 1259 . 14 2 2 B 17 17 ASN HA H 115 4.270 4.622 -0.352 1
1 1264 . 14 2 2 B 17 17 ASN C C 115 178.288 177.409 0.879 1
1 1265 . 14 2 2 B 17 17 ASN CA C 115 56.318 56.255 0.063 1
1 1266 . 14 2 2 B 17 17 ASN CB C 115 37.573 37.488 0.085 1
1 1267 . 14 2 2 B 17 17 ASN N N 115 117.923 115.117 2.806 1
1 1269 . 14 2 2 B 18 18 GLU H H 116 8.110 8.412 -0.302 1
1 1270 . 14 2 2 B 18 18 GLU HA H 116 4.146 4.011 0.135 1
1 1275 . 14 2 2 B 18 18 GLU C C 116 178.956 178.738 0.218 1
1 1276 . 14 2 2 B 18 18 GLU CA C 116 59.659 59.602 0.057 1
1 1277 . 14 2 2 B 18 18 GLU CB C 116 29.950 29.233 0.717 1
1 1279 . 14 2 2 B 18 18 GLU N N 116 120.249 120.176 0.073 1
1 1280 . 14 2 2 B 19 19 ARG H H 117 7.925 8.237 -0.312 1
1 1281 . 14 2 2 B 19 19 ARG HA H 117 4.057 4.030 0.027 1
1 1289 . 14 2 2 B 19 19 ARG C C 117 180.070 179.139 0.931 1
1 1290 . 14 2 2 B 19 19 ARG CA C 117 59.564 59.499 0.065 1
1 1291 . 14 2 2 B 19 19 ARG CB C 117 29.879 29.572 0.307 1
1 1294 . 14 2 2 B 19 19 ARG N N 117 119.801 118.395 1.406 1
1 1296 . 14 2 2 B 20 20 HIS H H 118 8.316 7.971 0.345 1
1 1297 . 14 2 2 B 20 20 HIS HA H 118 4.574 4.274 0.300 1
1 1304 . 14 2 2 B 20 20 HIS C C 118 176.784 177.980 -1.196 1
1 1305 . 14 2 2 B 20 20 HIS CA C 118 58.397 59.616 -1.219 1
1 1306 . 14 2 2 B 20 20 HIS CB C 118 29.343 29.751 -0.408 1
1 1309 . 14 2 2 B 20 20 HIS N N 118 117.802 118.704 -0.902 1
1 1310 . 14 2 2 B 21 21 GLU H H 119 8.400 8.682 -0.282 1
1 1311 . 14 2 2 B 21 21 GLU HA H 119 4.268 3.845 0.423 1
1 1316 . 14 2 2 B 21 21 GLU C C 119 178.566 179.290 -0.724 1
1 1317 . 14 2 2 B 21 21 GLU CA C 119 59.105 59.797 -0.692 1
1 1318 . 14 2 2 B 21 21 GLU CB C 119 29.559 29.361 0.198 1
1 1320 . 14 2 2 B 21 21 GLU N N 119 121.996 119.300 2.696 1
1 1321 . 14 2 2 B 22 22 GLU H H 120 8.285 8.979 -0.694 1
1 1322 . 14 2 2 B 22 22 GLU HA H 120 4.204 4.049 0.155 1
1 1327 . 14 2 2 B 22 22 GLU C C 120 178.288 179.118 -0.830 1
1 1328 . 14 2 2 B 22 22 GLU CA C 120 58.841 59.314 -0.473 1
1 1329 . 14 2 2 B 22 22 GLU CB C 120 29.322 29.321 0.001 1
1 1331 . 14 2 2 B 22 22 GLU N N 120 119.798 120.393 -0.595 1
1 1332 . 14 2 2 B 23 23 ALA H H 121 8.037 8.307 -0.270 1
1 1333 . 14 2 2 B 23 23 ALA HA H 121 4.270 4.104 0.166 1
1 1337 . 14 2 2 B 23 23 ALA C C 121 179.569 179.406 0.163 1
1 1338 . 14 2 2 B 23 23 ALA CA C 121 54.158 55.086 -0.928 1
1 1339 . 14 2 2 B 23 23 ALA CB C 121 18.923 18.350 0.573 1
1 1340 . 14 2 2 B 23 23 ALA N N 121 122.418 122.638 -0.220 1
1 1341 . 14 2 2 B 24 24 GLU H H 122 8.039 7.534 0.505 1
1 1342 . 14 2 2 B 24 24 GLU HA H 122 4.291 4.088 0.203 1
1 1347 . 14 2 2 B 24 24 GLU C C 122 177.954 179.045 -1.091 1
1 1348 . 14 2 2 B 24 24 GLU CA C 122 58.023 58.832 -0.809 1
1 1349 . 14 2 2 B 24 24 GLU CB C 122 29.566 29.660 -0.094 1
1 1351 . 14 2 2 B 24 24 GLU N N 122 119.517 118.583 0.934 1
1 1352 . 14 2 2 B 25 25 LEU H H 123 7.962 8.932 -0.970 1
1 1353 . 14 2 2 B 25 25 LEU HA H 123 4.226 4.106 0.120 1
1 1363 . 14 2 2 B 25 25 LEU C C 123 179.123 178.291 0.832 1
1 1364 . 14 2 2 B 25 25 LEU CA C 123 57.213 57.951 -0.738 1
1 1365 . 14 2 2 B 25 25 LEU CB C 123 41.809 42.471 -0.662 1
1 1369 . 14 2 2 B 25 25 LEU N N 123 120.617 121.850 -1.233 1
1 1370 . 14 2 2 B 26 26 GLU H H 124 8.093 8.259 -0.166 1
1 1371 . 14 2 2 B 26 26 GLU HA H 124 4.140 4.021 0.119 1
1 1376 . 14 2 2 B 26 26 GLU C C 124 177.954 178.343 -0.389 1
1 1377 . 14 2 2 B 26 26 GLU CA C 124 58.095 59.148 -1.053 1
1 1378 . 14 2 2 B 26 26 GLU CB C 124 29.910 29.306 0.604 1
1 1380 . 14 2 2 B 26 26 GLU N N 124 119.473 118.786 0.687 1
1 1381 . 14 2 2 B 27 27 ARG H H 125 7.954 7.706 0.248 1
1 1382 . 14 2 2 B 27 27 ARG HA H 125 4.210 4.192 0.018 1
1 1390 . 14 2 2 B 27 27 ARG C C 125 177.619 178.464 -0.845 1
1 1391 . 14 2 2 B 27 27 ARG CA C 125 57.677 58.444 -0.767 1
1 1392 . 14 2 2 B 27 27 ARG CB C 125 30.374 29.919 0.455 1
1 1395 . 14 2 2 B 27 27 ARG N N 125 120.670 120.639 0.031 1
1 1397 . 14 2 2 B 28 28 LEU H H 126 8.038 8.452 -0.414 1
1 1398 . 14 2 2 B 28 28 LEU HA H 126 4.270 4.121 0.149 1
1 1408 . 14 2 2 B 28 28 LEU C C 126 178.065 178.526 -0.461 1
1 1409 . 14 2 2 B 28 28 LEU CA C 126 56.096 57.252 -1.156 1
1 1410 . 14 2 2 B 28 28 LEU CB C 126 42.252 41.354 0.898 1
1 1414 . 14 2 2 B 28 28 LEU N N 126 120.818 121.115 -0.297 1
1 1415 . 14 2 2 B 29 29 LYS H H 127 7.944 8.425 -0.481 1
1 1416 . 14 2 2 B 29 29 LYS HA H 127 4.270 4.221 0.049 1
1 1425 . 14 2 2 B 29 29 LYS C C 127 176.951 176.684 0.267 1
1 1426 . 14 2 2 B 29 29 LYS CA C 127 57.168 58.111 -0.943 1
1 1427 . 14 2 2 B 29 29 LYS CB C 127 32.755 31.577 1.178 1
1 1431 . 14 2 2 B 29 29 LYS N N 127 119.960 117.561 2.399 1
1 1432 . 14 2 2 B 30 30 SER H H 128 8.030 7.992 0.038 1
1 1433 . 14 2 2 B 30 30 SER HA H 128 4.466 4.751 -0.285 1
1 1436 . 14 2 2 B 30 30 SER C C 128 176.101 174.503 1.598 1
1 1437 . 14 2 2 B 30 30 SER CA C 128 58.590 57.825 0.765 1
1 1438 . 14 2 2 B 30 30 SER CB C 128 63.939 61.410 2.529 1
1 1439 . 14 2 2 B 30 30 SER N N 128 115.496 115.526 -0.030 1
1 1440 . 14 2 2 B 31 31 GLU H H 129 8.157 8.041 0.116 1
1 1441 . 14 2 2 B 31 31 GLU HA H 129 4.291 4.476 -0.185 1
1 1446 . 14 2 2 B 31 31 GLU C C 129 175.112 175.525 -0.413 1
1 1447 . 14 2 2 B 31 31 GLU CA C 129 56.654 56.293 0.361 1
1 1448 . 14 2 2 B 31 31 GLU CB C 129 30.389 29.301 1.088 1
1 1450 . 14 2 2 B 31 31 GLU N N 129 122.569 122.694 -0.125 1
1 1 . 15 1 1 A 2 2 VAL H H 2 7.944 7.695 0.249 1
1 2 . 15 1 1 A 2 2 VAL HA H 2 4.035 4.218 -0.183 1
1 10 . 15 1 1 A 2 2 VAL C C 2 174.807 176.672 -1.865 1
1 11 . 15 1 1 A 2 2 VAL CA C 2 61.947 61.420 0.527 1
1 12 . 15 1 1 A 2 2 VAL CB C 2 33.175 33.319 -0.144 1
1 15 . 15 1 1 A 2 2 VAL N N 2 123.960 119.876 4.084 1
1 16 . 15 1 1 A 3 3 GLU H H 3 8.465 8.831 -0.366 1
1 17 . 15 1 1 A 3 3 GLU HA H 3 4.168 3.793 0.375 1
1 22 . 15 1 1 A 3 3 GLU C C 3 175.888 175.493 0.395 1
1 23 . 15 1 1 A 3 3 GLU CA C 3 56.487 59.038 -2.551 1
1 24 . 15 1 1 A 3 3 GLU CB C 3 30.349 27.357 2.992 1
1 26 . 15 1 1 A 3 3 GLU N N 3 125.549 119.623 5.926 1
1 27 . 15 1 1 A 4 4 PHE H H 4 8.330 8.416 -0.086 1
1 28 . 15 1 1 A 4 4 PHE HA H 4 4.651 4.451 0.200 1
1 36 . 15 1 1 A 4 4 PHE C C 4 175.550 175.677 -0.127 1
1 37 . 15 1 1 A 4 4 PHE CA C 4 57.827 57.408 0.419 1
1 38 . 15 1 1 A 4 4 PHE CB C 4 39.623 39.068 0.555 1
1 44 . 15 1 1 A 4 4 PHE N N 4 121.869 118.573 3.296 1
1 45 . 15 1 1 A 5 5 SER H H 5 8.177 8.698 -0.521 1
1 46 . 15 1 1 A 5 5 SER HA H 5 4.395 4.607 -0.212 1
1 49 . 15 1 1 A 5 5 SER C C 5 173.996 173.658 0.338 1
1 50 . 15 1 1 A 5 5 SER CA C 5 58.045 57.932 0.113 1
1 51 . 15 1 1 A 5 5 SER CB C 5 64.050 63.357 0.693 1
1 52 . 15 1 1 A 5 5 SER N N 5 117.865 115.996 1.869 1
1 53 . 15 1 1 A 6 6 GLU H H 6 8.425 7.665 0.760 1
1 54 . 15 1 1 A 6 6 GLU HA H 6 4.290 4.741 -0.451 1
1 59 . 15 1 1 A 6 6 GLU C C 6 176.699 175.762 0.937 1
1 60 . 15 1 1 A 6 6 GLU CA C 6 56.479 55.351 1.128 1
1 61 . 15 1 1 A 6 6 GLU CB C 6 30.715 29.930 0.785 1
1 63 . 15 1 1 A 6 6 GLU N N 6 122.791 121.549 1.242 1
1 64 . 15 1 1 A 7 7 GLU H H 7 8.421 9.034 -0.613 1
1 65 . 15 1 1 A 7 7 GLU HA H 7 4.742 4.486 0.256 1
1 70 . 15 1 1 A 7 7 GLU C C 7 175.145 175.720 -0.575 1
1 71 . 15 1 1 A 7 7 GLU CA C 7 55.617 58.085 -2.468 1
1 72 . 15 1 1 A 7 7 GLU CB C 7 29.095 32.560 -3.465 1
1 74 . 15 1 1 A 7 7 GLU N N 7 122.775 126.310 -3.535 1
1 75 . 15 1 1 A 8 8 CYS H H 8 7.917 7.834 0.083 1
1 76 . 15 1 1 A 8 8 CYS HA H 8 4.969 5.218 -0.249 1
1 79 . 15 1 1 A 8 8 CYS C C 8 171.610 171.662 -0.052 1
1 80 . 15 1 1 A 8 8 CYS CA C 8 53.880 54.421 -0.541 1
1 81 . 15 1 1 A 8 8 CYS CB C 8 43.144 45.527 -2.383 1
1 82 . 15 1 1 A 8 8 CYS N N 8 115.067 114.616 0.451 1
1 83 . 15 1 1 A 9 9 MET H H 9 9.379 9.472 -0.093 1
1 84 . 15 1 1 A 9 9 MET HA H 9 5.049 5.076 -0.027 1
1 89 . 15 1 1 A 9 9 MET C C 9 174.038 175.252 -1.214 1
1 90 . 15 1 1 A 9 9 MET CA C 9 53.312 53.970 -0.658 1
1 91 . 15 1 1 A 9 9 MET CB C 9 36.165 35.723 0.442 1
1 93 . 15 1 1 A 9 9 MET N N 9 117.763 122.334 -4.571 1
1 94 . 15 1 1 A 10 10 HIS H H 10 9.610 8.137 1.473 1
1 95 . 15 1 1 A 10 10 HIS HA H 10 4.877 5.204 -0.327 1
1 102 . 15 1 1 A 10 10 HIS C C 10 176.698 175.482 1.216 1
1 103 . 15 1 1 A 10 10 HIS CA C 10 55.016 55.650 -0.634 1
1 104 . 15 1 1 A 10 10 HIS CB C 10 31.116 30.900 0.216 1
1 107 . 15 1 1 A 10 10 HIS N N 10 124.293 120.777 3.516 1
1 108 . 15 1 1 A 11 11 GLY H H 11 9.249 8.811 0.438 1
1 109 . 15 1 1 A 11 11 GLY HA2 H 11 4.104 3.865 0.239 1
1 110 . 15 1 1 A 11 11 GLY HA3 H 11 3.843 3.904 -0.061 1
1 111 . 15 1 1 A 11 11 GLY C C 11 174.559 174.923 -0.364 1
1 112 . 15 1 1 A 11 11 GLY CA C 11 47.652 46.124 1.528 1
1 113 . 15 1 1 A 11 11 GLY N N 11 115.224 110.118 5.106 1
1 114 . 15 1 1 A 12 12 SER H H 12 8.999 8.708 0.291 1
1 115 . 15 1 1 A 12 12 SER HA H 12 4.653 4.552 0.101 1
1 118 . 15 1 1 A 12 12 SER C C 12 176.178 174.662 1.516 1
1 119 . 15 1 1 A 12 12 SER CA C 12 57.731 58.692 -0.961 1
1 120 . 15 1 1 A 12 12 SER CB C 12 63.439 64.250 -0.811 1
1 121 . 15 1 1 A 12 12 SER N N 12 121.965 121.515 0.450 1
1 122 . 15 1 1 A 13 13 GLY H H 13 9.022 7.941 1.081 1
1 123 . 15 1 1 A 13 13 GLY HA2 H 13 4.052 3.959 0.093 1
1 124 . 15 1 1 A 13 13 GLY HA3 H 13 3.957 3.979 -0.022 1
1 125 . 15 1 1 A 13 13 GLY C C 13 176.178 175.419 0.759 1
1 126 . 15 1 1 A 13 13 GLY CA C 13 47.972 45.534 2.438 1
1 127 . 15 1 1 A 13 13 GLY N N 13 109.294 108.645 0.649 1
1 128 . 15 1 1 A 14 14 GLU H H 14 9.552 8.577 0.975 1
1 129 . 15 1 1 A 14 14 GLU HA H 14 4.347 4.217 0.130 1
1 134 . 15 1 1 A 14 14 GLU C C 14 177.045 177.502 -0.457 1
1 135 . 15 1 1 A 14 14 GLU CA C 14 60.282 59.100 1.182 1
1 136 . 15 1 1 A 14 14 GLU CB C 14 29.145 29.051 0.094 1
1 138 . 15 1 1 A 14 14 GLU N N 14 123.736 120.117 3.619 1
1 139 . 15 1 1 A 15 15 ASN H H 15 8.425 7.868 0.557 1
1 140 . 15 1 1 A 15 15 ASN HA H 15 5.030 4.808 0.222 1
1 144 . 15 1 1 A 15 15 ASN C C 15 174.848 174.830 0.018 1
1 145 . 15 1 1 A 15 15 ASN CA C 15 51.725 52.780 -1.055 1
1 146 . 15 1 1 A 15 15 ASN CB C 15 38.404 38.703 -0.299 1
1 147 . 15 1 1 A 15 15 ASN N N 15 112.918 117.922 -5.004 1
1 150 . 15 1 1 A 16 16 TYR H H 16 7.622 7.686 -0.064 1
1 151 . 15 1 1 A 16 16 TYR HA H 16 4.445 4.842 -0.397 1
1 159 . 15 1 1 A 16 16 TYR C C 16 175.773 175.470 0.303 1
1 160 . 15 1 1 A 16 16 TYR CA C 16 60.125 57.855 2.270 1
1 161 . 15 1 1 A 16 16 TYR CB C 16 38.590 39.313 -0.723 1
1 166 . 15 1 1 A 16 16 TYR N N 16 121.437 121.595 -0.158 1
1 167 . 15 1 1 A 17 17 ASP H H 17 8.722 8.677 0.045 1
1 168 . 15 1 1 A 17 17 ASP HA H 17 4.599 4.840 -0.241 1
1 171 . 15 1 1 A 17 17 ASP C C 17 175.748 176.299 -0.551 1
1 172 . 15 1 1 A 17 17 ASP CA C 17 52.327 52.791 -0.464 1
1 173 . 15 1 1 A 17 17 ASP CB C 17 42.265 41.254 1.011 1
1 174 . 15 1 1 A 17 17 ASP N N 17 130.345 124.815 5.530 1
1 175 . 15 1 1 A 18 18 GLY H H 18 4.504 6.815 -2.311 1
1 176 . 15 1 1 A 18 18 GLY HA2 H 18 4.092 3.564 0.528 1
1 177 . 15 1 1 A 18 18 GLY HA3 H 18 3.786 3.888 -0.102 1
1 178 . 15 1 1 A 18 18 GLY C C 18 174.732 174.162 0.570 1
1 179 . 15 1 1 A 18 18 GLY CA C 18 44.739 44.666 0.073 1
1 180 . 15 1 1 A 18 18 GLY N N 18 104.445 108.067 -3.622 1
1 181 . 15 1 1 A 19 19 LYS H H 19 9.272 8.449 0.823 1
1 182 . 15 1 1 A 19 19 LYS HA H 19 3.248 3.559 -0.311 1
1 191 . 15 1 1 A 19 19 LYS C C 19 176.409 175.828 0.581 1
1 192 . 15 1 1 A 19 19 LYS CA C 19 55.454 55.571 -0.117 1
1 193 . 15 1 1 A 19 19 LYS CB C 19 32.499 31.622 0.877 1
1 197 . 15 1 1 A 19 19 LYS N N 19 117.569 119.665 -2.096 1
1 198 . 15 1 1 A 20 20 ILE H H 20 7.559 7.094 0.465 1
1 199 . 15 1 1 A 20 20 ILE HA H 20 3.991 4.037 -0.046 1
1 209 . 15 1 1 A 20 20 ILE C C 20 176.756 176.077 0.679 1
1 210 . 15 1 1 A 20 20 ILE CA C 20 64.261 62.649 1.612 1
1 211 . 15 1 1 A 20 20 ILE CB C 20 36.212 38.438 -2.226 1
1 215 . 15 1 1 A 20 20 ILE N N 20 122.778 123.635 -0.857 1
1 216 . 15 1 1 A 21 21 SER H H 21 8.817 8.987 -0.170 1
1 217 . 15 1 1 A 21 21 SER HA H 21 5.128 5.248 -0.120 1
1 220 . 15 1 1 A 21 21 SER C C 21 172.708 174.030 -1.322 1
1 221 . 15 1 1 A 21 21 SER CA C 21 57.513 57.318 0.195 1
1 222 . 15 1 1 A 21 21 SER CB C 21 65.126 64.604 0.522 1
1 223 . 15 1 1 A 21 21 SER N N 21 122.859 121.082 1.777 1
1 224 . 15 1 1 A 22 22 LYS H H 22 7.150 7.691 -0.541 1
1 225 . 15 1 1 A 22 22 LYS HA H 22 5.530 5.313 0.217 1
1 234 . 15 1 1 A 22 22 LYS C C 22 176.120 176.359 -0.239 1
1 235 . 15 1 1 A 22 22 LYS CA C 22 53.471 54.736 -1.265 1
1 236 . 15 1 1 A 22 22 LYS CB C 22 37.049 36.177 0.872 1
1 240 . 15 1 1 A 22 22 LYS N N 22 119.681 120.744 -1.063 1
1 241 . 15 1 1 A 23 23 THR H H 23 9.134 8.776 0.358 1
1 242 . 15 1 1 A 23 23 THR HA H 23 4.630 4.728 -0.098 1
1 248 . 15 1 1 A 23 23 THR C C 23 177.971 176.038 1.933 1
1 249 . 15 1 1 A 23 23 THR CA C 23 61.032 60.718 0.314 1
1 250 . 15 1 1 A 23 23 THR CB C 23 70.818 71.384 -0.566 1
1 252 . 15 1 1 A 23 23 THR N N 23 111.072 114.102 -3.030 1
1 253 . 15 1 1 A 24 24 MET H H 24 9.383 9.210 0.173 1
1 254 . 15 1 1 A 24 24 MET HA H 24 4.168 4.252 -0.084 1
1 259 . 15 1 1 A 24 24 MET C C 24 176.122 177.547 -1.425 1
1 260 . 15 1 1 A 24 24 MET CA C 24 58.704 57.746 0.958 1
1 261 . 15 1 1 A 24 24 MET CB C 24 32.546 32.307 0.239 1
1 263 . 15 1 1 A 24 24 MET N N 24 118.120 119.726 -1.606 1
1 264 . 15 1 1 A 25 25 SER H H 25 7.763 7.405 0.358 1
1 265 . 15 1 1 A 25 25 SER HA H 25 4.575 4.563 0.012 1
1 269 . 15 1 1 A 25 25 SER C C 25 174.848 174.793 0.055 1
1 270 . 15 1 1 A 25 25 SER CA C 25 58.895 58.617 0.278 1
1 271 . 15 1 1 A 25 25 SER CB C 25 62.844 63.921 -1.077 1
1 272 . 15 1 1 A 25 25 SER N N 25 113.626 113.576 0.050 1
1 273 . 15 1 1 A 26 26 GLY H H 26 8.136 8.147 -0.011 1
1 274 . 15 1 1 A 26 26 GLY HA2 H 26 4.305 3.917 0.388 1
1 275 . 15 1 1 A 26 26 GLY HA3 H 26 3.503 3.922 -0.419 1
1 276 . 15 1 1 A 26 26 GLY C C 26 174.212 174.928 -0.716 1
1 277 . 15 1 1 A 26 26 GLY CA C 26 45.125 45.761 -0.636 1
1 278 . 15 1 1 A 26 26 GLY N N 26 110.819 110.255 0.564 1
1 279 . 15 1 1 A 27 27 LEU H H 27 7.183 8.195 -1.012 1
1 280 . 15 1 1 A 27 27 LEU HA H 27 4.319 4.464 -0.145 1
1 290 . 15 1 1 A 27 27 LEU C C 27 176.178 176.647 -0.469 1
1 291 . 15 1 1 A 27 27 LEU CA C 27 54.211 54.512 -0.301 1
1 292 . 15 1 1 A 27 27 LEU CB C 27 42.260 42.630 -0.370 1
1 296 . 15 1 1 A 27 27 LEU N N 27 120.765 122.042 -1.277 1
1 297 . 15 1 1 A 28 28 GLU H H 28 8.699 8.656 0.043 1
1 298 . 15 1 1 A 28 28 GLU HA H 28 4.506 4.425 0.081 1
1 303 . 15 1 1 A 28 28 GLU C C 28 177.161 176.537 0.624 1
1 304 . 15 1 1 A 28 28 GLU CA C 28 56.451 56.386 0.065 1
1 305 . 15 1 1 A 28 28 GLU CB C 28 30.018 30.200 -0.182 1
1 307 . 15 1 1 A 28 28 GLU N N 28 122.582 120.890 1.692 1
1 308 . 15 1 1 A 29 29 CYS H H 29 8.624 8.641 -0.017 1
1 309 . 15 1 1 A 29 29 CYS HA H 29 4.812 5.045 -0.233 1
1 312 . 15 1 1 A 29 29 CYS C C 29 177.045 173.189 3.856 1
1 313 . 15 1 1 A 29 29 CYS CA C 29 55.189 56.624 -1.435 1
1 314 . 15 1 1 A 29 29 CYS CB C 29 37.938 42.740 -4.802 1
1 315 . 15 1 1 A 29 29 CYS N N 29 125.564 125.212 0.352 1
1 316 . 15 1 1 A 30 30 GLN H H 30 9.664 9.002 0.662 1
1 317 . 15 1 1 A 30 30 GLN HA H 30 3.841 4.497 -0.656 1
1 324 . 15 1 1 A 30 30 GLN C C 30 175.310 175.853 -0.543 1
1 325 . 15 1 1 A 30 30 GLN CA C 30 55.501 54.817 0.684 1
1 326 . 15 1 1 A 30 30 GLN CB C 30 29.943 30.132 -0.189 1
1 328 . 15 1 1 A 30 30 GLN N N 30 127.687 125.181 2.506 1
1 330 . 15 1 1 A 31 31 ALA H H 31 8.728 8.727 0.001 1
1 331 . 15 1 1 A 31 31 ALA HA H 31 4.052 4.579 -0.527 1
1 335 . 15 1 1 A 31 31 ALA C C 31 178.722 178.623 0.099 1
1 336 . 15 1 1 A 31 31 ALA CA C 31 52.327 52.797 -0.470 1
1 337 . 15 1 1 A 31 31 ALA CB C 31 18.034 19.244 -1.210 1
1 338 . 15 1 1 A 31 31 ALA N N 31 128.680 128.473 0.207 1
1 339 . 15 1 1 A 32 32 TRP H H 32 7.703 8.855 -1.152 1
1 340 . 15 1 1 A 32 32 TRP HA H 32 4.244 4.669 -0.425 1
1 349 . 15 1 1 A 32 32 TRP C C 32 177.566 178.652 -1.086 1
1 350 . 15 1 1 A 32 32 TRP CA C 32 59.531 60.117 -0.586 1
1 351 . 15 1 1 A 32 32 TRP CB C 32 29.953 29.290 0.663 1
1 357 . 15 1 1 A 32 32 TRP N N 32 123.505 124.390 -0.885 1
1 359 . 15 1 1 A 33 33 ASP H H 33 8.797 8.114 0.683 1
1 360 . 15 1 1 A 33 33 ASP HA H 33 4.634 4.635 -0.001 1
1 363 . 15 1 1 A 33 33 ASP C C 33 175.831 176.211 -0.380 1
1 364 . 15 1 1 A 33 33 ASP CA C 33 54.398 56.274 -1.876 1
1 365 . 15 1 1 A 33 33 ASP CB C 33 40.707 41.265 -0.558 1
1 366 . 15 1 1 A 33 33 ASP N N 33 113.424 120.508 -7.084 1
1 367 . 15 1 1 A 34 34 SER H H 34 8.039 7.988 0.051 1
1 368 . 15 1 1 A 34 34 SER HA H 34 4.737 4.659 0.078 1
1 372 . 15 1 1 A 34 34 SER C C 34 174.096 174.408 -0.312 1
1 373 . 15 1 1 A 34 34 SER CA C 34 56.454 57.040 -0.586 1
1 374 . 15 1 1 A 34 34 SER CB C 34 65.137 64.445 0.692 1
1 375 . 15 1 1 A 34 34 SER N N 34 114.429 115.299 -0.870 1
1 376 . 15 1 1 A 35 35 GLN H H 35 8.387 9.144 -0.757 1
1 377 . 15 1 1 A 35 35 GLN HA H 35 4.426 4.589 -0.163 1
1 384 . 15 1 1 A 35 35 GLN C C 35 173.518 175.589 -2.071 1
1 385 . 15 1 1 A 35 35 GLN CA C 35 54.020 55.566 -1.546 1
1 386 . 15 1 1 A 35 35 GLN CB C 35 28.804 29.502 -0.698 1
1 388 . 15 1 1 A 35 35 GLN N N 35 123.700 127.071 -3.371 1
1 390 . 15 1 1 A 36 36 SER H H 36 7.746 7.030 0.716 1
1 391 . 15 1 1 A 36 36 SER HA H 36 4.466 4.876 -0.410 1
1 395 . 15 1 1 A 36 36 SER C C 36 172.824 173.843 -1.019 1
1 396 . 15 1 1 A 36 36 SER CA C 36 54.749 55.167 -0.418 1
1 397 . 15 1 1 A 36 36 SER CB C 36 65.162 65.273 -0.111 1
1 398 . 15 1 1 A 36 36 SER N N 36 112.974 111.952 1.022 1
1 399 . 15 1 1 A 37 37 PRO HA H 37 4.382 4.456 -0.074 1
1 406 . 15 1 1 A 37 37 PRO C C 37 176.351 175.992 0.359 1
1 407 . 15 1 1 A 37 37 PRO CA C 37 64.110 63.572 0.538 1
1 408 . 15 1 1 A 37 37 PRO CB C 37 33.670 31.784 1.886 1
1 411 . 15 1 1 A 38 38 HIS H H 38 8.764 7.160 1.604 1
1 412 . 15 1 1 A 38 38 HIS HA H 38 4.897 4.708 0.189 1
1 417 . 15 1 1 A 38 38 HIS C C 38 178.144 175.031 3.113 1
1 418 . 15 1 1 A 38 38 HIS CA C 38 55.580 55.512 0.068 1
1 419 . 15 1 1 A 38 38 HIS CB C 38 30.421 30.896 -0.475 1
1 422 . 15 1 1 A 38 38 HIS N N 38 122.516 116.972 5.544 1
1 423 . 15 1 1 A 39 39 ALA H H 39 8.673 8.529 0.144 1
1 424 . 15 1 1 A 39 39 ALA HA H 39 4.493 4.631 -0.138 1
1 428 . 15 1 1 A 39 39 ALA C C 39 178.375 177.194 1.181 1
1 429 . 15 1 1 A 39 39 ALA CA C 39 51.440 52.037 -0.597 1
1 430 . 15 1 1 A 39 39 ALA CB C 39 18.980 19.618 -0.638 1
1 431 . 15 1 1 A 39 39 ALA N N 39 128.546 126.068 2.478 1
1 432 . 15 1 1 A 40 40 HIS H H 40 9.291 9.462 -0.171 1
1 433 . 15 1 1 A 40 40 HIS HA H 40 4.734 5.632 -0.898 1
1 439 . 15 1 1 A 40 40 HIS C C 40 175.484 174.903 0.581 1
1 440 . 15 1 1 A 40 40 HIS CA C 40 56.141 53.603 2.538 1
1 441 . 15 1 1 A 40 40 HIS CB C 40 35.545 32.918 2.627 1
1 444 . 15 1 1 A 40 40 HIS N N 40 120.682 116.911 3.771 1
1 445 . 15 1 1 A 41 41 GLY H H 41 9.080 8.979 0.101 1
1 446 . 15 1 1 A 41 41 GLY HA2 H 41 4.602 3.856 0.746 1
1 447 . 15 1 1 A 41 41 GLY HA3 H 41 3.671 3.908 -0.237 1
1 448 . 15 1 1 A 41 41 GLY C C 41 176.409 173.966 2.443 1
1 449 . 15 1 1 A 41 41 GLY CA C 41 44.724 45.257 -0.533 1
1 450 . 15 1 1 A 41 41 GLY N N 41 106.159 108.499 -2.340 1
1 451 . 15 1 1 A 42 42 TYR H H 42 11.980 8.134 3.846 1
1 452 . 15 1 1 A 42 42 TYR HA H 42 4.616 5.097 -0.481 1
1 459 . 15 1 1 A 42 42 TYR C C 42 174.385 175.111 -0.726 1
1 460 . 15 1 1 A 42 42 TYR CA C 42 57.579 56.713 0.866 1
1 461 . 15 1 1 A 42 42 TYR CB C 42 36.198 36.510 -0.312 1
1 466 . 15 1 1 A 42 42 TYR N N 42 133.554 120.044 13.510 1
1 467 . 15 1 1 A 43 43 ILE H H 43 7.120 8.199 -1.079 1
1 468 . 15 1 1 A 43 43 ILE HA H 43 4.630 4.527 0.103 1
1 478 . 15 1 1 A 43 43 ILE C C 43 177.219 176.127 1.092 1
1 479 . 15 1 1 A 43 43 ILE CA C 43 58.201 58.450 -0.249 1
1 480 . 15 1 1 A 43 43 ILE CB C 43 38.761 37.923 0.838 1
1 484 . 15 1 1 A 43 43 ILE N N 43 118.881 124.886 -6.005 1
1 485 . 15 1 1 A 44 44 PRO HA H 44 4.193 4.500 -0.307 1
1 492 . 15 1 1 A 44 44 PRO C C 44 178.780 177.761 1.019 1
1 493 . 15 1 1 A 44 44 PRO CA C 44 67.061 64.334 2.727 1
1 494 . 15 1 1 A 44 44 PRO CB C 44 32.267 31.830 0.437 1
1 497 . 15 1 1 A 45 45 SER H H 45 7.984 8.217 -0.233 1
1 498 . 15 1 1 A 45 45 SER HA H 45 4.087 4.214 -0.127 1
1 502 . 15 1 1 A 45 45 SER C C 45 176.004 176.229 -0.225 1
1 503 . 15 1 1 A 45 45 SER CA C 45 60.161 61.272 -1.111 1
1 504 . 15 1 1 A 45 45 SER CB C 45 62.260 63.063 -0.803 1
1 505 . 15 1 1 A 45 45 SER N N 45 107.865 113.736 -5.871 1
1 506 . 15 1 1 A 46 46 LYS H H 46 7.769 7.726 0.043 1
1 507 . 15 1 1 A 46 46 LYS HA H 46 3.965 4.150 -0.185 1
1 516 . 15 1 1 A 46 46 LYS C C 46 175.831 176.436 -0.605 1
1 517 . 15 1 1 A 46 46 LYS CA C 46 57.349 57.234 0.115 1
1 518 . 15 1 1 A 46 46 LYS CB C 46 33.283 32.678 0.605 1
1 522 . 15 1 1 A 46 46 LYS N N 46 121.944 118.283 3.661 1
1 523 . 15 1 1 A 47 47 PHE H H 47 7.018 7.669 -0.651 1
1 524 . 15 1 1 A 47 47 PHE HA H 47 5.244 5.110 0.134 1
1 532 . 15 1 1 A 47 47 PHE C C 47 174.790 174.475 0.315 1
1 533 . 15 1 1 A 47 47 PHE CA C 47 54.142 54.645 -0.503 1
1 534 . 15 1 1 A 47 47 PHE CB C 47 39.434 38.553 0.881 1
1 539 . 15 1 1 A 47 47 PHE N N 47 115.480 119.057 -3.577 1
1 540 . 15 1 1 A 48 48 PRO HA H 48 4.472 4.514 -0.042 1
1 547 . 15 1 1 A 48 48 PRO C C 48 177.681 177.845 -0.164 1
1 548 . 15 1 1 A 48 48 PRO CA C 48 65.513 64.557 0.956 1
1 549 . 15 1 1 A 48 48 PRO CB C 48 31.712 32.006 -0.294 1
1 552 . 15 1 1 A 49 49 ASN H H 49 8.559 8.960 -0.401 1
1 553 . 15 1 1 A 49 49 ASN HA H 49 4.818 4.471 0.347 1
1 558 . 15 1 1 A 49 49 ASN C C 49 175.715 176.481 -0.766 1
1 559 . 15 1 1 A 49 49 ASN CA C 49 53.372 55.452 -2.080 1
1 560 . 15 1 1 A 49 49 ASN CB C 49 37.351 37.258 0.093 1
1 561 . 15 1 1 A 49 49 ASN N N 49 114.836 116.133 -1.297 1
1 563 . 15 1 1 A 50 50 LYS H H 50 7.627 7.570 0.057 1
1 564 . 15 1 1 A 50 50 LYS HA H 50 4.480 4.352 0.128 1
1 573 . 15 1 1 A 50 50 LYS C C 50 175.079 175.622 -0.543 1
1 574 . 15 1 1 A 50 50 LYS CA C 50 53.336 55.647 -2.311 1
1 575 . 15 1 1 A 50 50 LYS CB C 50 31.284 32.155 -0.871 1
1 579 . 15 1 1 A 50 50 LYS N N 50 116.224 117.621 -1.397 1
1 580 . 15 1 1 A 51 51 ASN H H 51 7.945 8.234 -0.289 1
1 581 . 15 1 1 A 51 51 ASN HA H 51 4.304 4.419 -0.115 1
1 586 . 15 1 1 A 51 51 ASN C C 51 175.195 174.221 0.974 1
1 587 . 15 1 1 A 51 51 ASN CA C 51 54.089 53.886 0.203 1
1 588 . 15 1 1 A 51 51 ASN CB C 51 36.504 36.877 -0.373 1
1 589 . 15 1 1 A 51 51 ASN N N 51 115.331 116.930 -1.599 1
1 591 . 15 1 1 A 52 52 LEU H H 52 8.803 7.951 0.852 1
1 592 . 15 1 1 A 52 52 LEU HA H 52 3.412 4.015 -0.603 1
1 602 . 15 1 1 A 52 52 LEU C C 52 174.674 175.818 -1.144 1
1 603 . 15 1 1 A 52 52 LEU CA C 52 53.983 54.262 -0.279 1
1 604 . 15 1 1 A 52 52 LEU CB C 52 42.471 39.916 2.555 1
1 608 . 15 1 1 A 52 52 LEU N N 52 121.765 119.500 2.265 1
1 609 . 15 1 1 A 53 53 LYS H H 53 7.099 8.149 -1.050 1
1 610 . 15 1 1 A 53 53 LYS HA H 53 4.324 4.575 -0.251 1
1 619 . 15 1 1 A 53 53 LYS C C 53 173.460 176.672 -3.212 1
1 620 . 15 1 1 A 53 53 LYS CA C 53 54.843 54.896 -0.053 1
1 621 . 15 1 1 A 53 53 LYS CB C 53 36.395 34.233 2.162 1
1 625 . 15 1 1 A 53 53 LYS N N 53 124.403 123.828 0.575 1
1 626 . 15 1 1 A 54 54 LYS H H 54 8.805 8.889 -0.084 1
1 627 . 15 1 1 A 54 54 LYS HA H 54 3.692 3.840 -0.148 1
1 636 . 15 1 1 A 54 54 LYS C C 54 173.344 176.143 -2.799 1
1 637 . 15 1 1 A 54 54 LYS CA C 54 56.366 57.998 -1.632 1
1 638 . 15 1 1 A 54 54 LYS CB C 54 29.830 30.705 -0.875 1
1 642 . 15 1 1 A 54 54 LYS N N 54 118.125 117.437 0.688 1
1 643 . 15 1 1 A 55 55 ASN H H 55 7.567 8.263 -0.696 1
1 644 . 15 1 1 A 55 55 ASN HA H 55 4.643 4.711 -0.068 1
1 649 . 15 1 1 A 55 55 ASN C C 55 172.188 175.115 -2.927 1
1 650 . 15 1 1 A 55 55 ASN CA C 55 51.091 51.801 -0.710 1
1 651 . 15 1 1 A 55 55 ASN CB C 55 37.234 38.391 -1.157 1
1 652 . 15 1 1 A 55 55 ASN N N 55 123.893 121.880 2.013 1
1 654 . 15 1 1 A 56 56 TYR H H 56 7.584 7.640 -0.056 1
1 655 . 15 1 1 A 56 56 TYR HA H 56 4.892 5.288 -0.396 1
1 662 . 15 1 1 A 56 56 TYR C C 56 177.276 176.198 1.078 1
1 663 . 15 1 1 A 56 56 TYR CA C 56 54.447 58.476 -4.029 1
1 664 . 15 1 1 A 56 56 TYR CB C 56 38.633 39.456 -0.823 1
1 669 . 15 1 1 A 56 56 TYR N N 56 115.237 120.422 -5.185 1
1 670 . 15 1 1 A 57 57 CYS H H 57 9.149 8.835 0.314 1
1 671 . 15 1 1 A 57 57 CYS HA H 57 4.398 5.196 -0.798 1
1 674 . 15 1 1 A 57 57 CYS C C 57 175.600 174.523 1.077 1
1 675 . 15 1 1 A 57 57 CYS CA C 57 59.824 55.454 4.370 1
1 676 . 15 1 1 A 57 57 CYS CB C 57 48.356 42.696 5.660 1
1 677 . 15 1 1 A 57 57 CYS N N 57 119.273 121.639 -2.366 1
1 678 . 15 1 1 A 58 58 ARG H H 58 9.138 8.783 0.355 1
1 679 . 15 1 1 A 58 58 ARG HA H 58 4.918 5.169 -0.251 1
1 687 . 15 1 1 A 58 58 ARG C C 58 173.576 174.663 -1.087 1
1 688 . 15 1 1 A 58 58 ARG CA C 58 53.187 54.434 -1.247 1
1 689 . 15 1 1 A 58 58 ARG CB C 58 29.412 33.709 -4.297 1
1 692 . 15 1 1 A 58 58 ARG N N 58 122.881 125.405 -2.524 1
1 694 . 15 1 1 A 59 59 ASN H H 59 8.868 8.591 0.277 1
1 695 . 15 1 1 A 59 59 ASN HA H 59 5.513 5.176 0.337 1
1 700 . 15 1 1 A 59 59 ASN C C 59 172.824 174.453 -1.629 1
1 701 . 15 1 1 A 59 59 ASN CA C 59 53.176 50.171 3.005 1
1 702 . 15 1 1 A 59 59 ASN CB C 59 37.237 39.398 -2.161 1
1 703 . 15 1 1 A 59 59 ASN N N 59 113.603 119.812 -6.209 1
1 705 . 15 1 1 A 60 60 PRO HA H 60 4.712 4.342 0.370 1
1 712 . 15 1 1 A 60 60 PRO C C 60 175.715 177.767 -2.052 1
1 713 . 15 1 1 A 60 60 PRO CA C 60 63.643 64.355 -0.712 1
1 714 . 15 1 1 A 60 60 PRO CB C 60 32.507 31.819 0.688 1
1 717 . 15 1 1 A 61 61 ASP H H 61 8.883 8.071 0.812 1
1 718 . 15 1 1 A 61 61 ASP HA H 61 4.495 4.446 0.049 1
1 721 . 15 1 1 A 61 61 ASP C C 61 174.848 175.941 -1.093 1
1 722 . 15 1 1 A 61 61 ASP CA C 61 51.953 57.137 -5.184 1
1 723 . 15 1 1 A 61 61 ASP CB C 61 42.092 41.013 1.079 1
1 724 . 15 1 1 A 61 61 ASP N N 61 118.660 117.701 0.959 1
1 725 . 15 1 1 A 62 62 ARG H H 62 8.395 7.653 0.742 1
1 726 . 15 1 1 A 62 62 ARG HA H 62 3.789 3.884 -0.095 1
1 734 . 15 1 1 A 62 62 ARG C C 62 176.236 174.423 1.813 1
1 735 . 15 1 1 A 62 62 ARG CA C 62 57.318 57.025 0.293 1
1 736 . 15 1 1 A 62 62 ARG CB C 62 26.990 27.169 -0.179 1
1 739 . 15 1 1 A 62 62 ARG N N 62 116.013 116.695 -0.682 1
1 741 . 15 1 1 A 63 63 ASP H H 63 9.735 7.993 1.742 1
1 742 . 15 1 1 A 63 63 ASP HA H 63 4.769 4.727 0.042 1
1 745 . 15 1 1 A 63 63 ASP C C 63 177.334 176.742 0.592 1
1 746 . 15 1 1 A 63 63 ASP CA C 63 51.973 53.026 -1.053 1
1 747 . 15 1 1 A 63 63 ASP CB C 63 42.698 42.612 0.086 1
1 748 . 15 1 1 A 63 63 ASP N N 63 121.799 117.709 4.090 1
1 749 . 15 1 1 A 64 64 LEU H H 64 10.919 8.563 2.356 1
1 750 . 15 1 1 A 64 64 LEU HA H 64 3.995 4.105 -0.110 1
1 760 . 15 1 1 A 64 64 LEU C C 64 176.467 176.739 -0.272 1
1 761 . 15 1 1 A 64 64 LEU CA C 64 57.772 56.581 1.191 1
1 762 . 15 1 1 A 64 64 LEU CB C 64 43.630 43.149 0.481 1
1 766 . 15 1 1 A 64 64 LEU N N 64 121.789 122.403 -0.614 1
1 767 . 15 1 1 A 65 65 ARG H H 65 7.633 7.770 -0.137 1
1 768 . 15 1 1 A 65 65 ARG HA H 65 5.006 5.239 -0.233 1
1 776 . 15 1 1 A 65 65 ARG C C 65 172.130 174.049 -1.919 1
1 777 . 15 1 1 A 65 65 ARG CA C 65 53.368 54.330 -0.962 1
1 778 . 15 1 1 A 65 65 ARG CB C 65 28.429 32.433 -4.004 1
1 781 . 15 1 1 A 65 65 ARG N N 65 108.790 113.332 -4.542 1
1 783 . 15 1 1 A 66 66 PRO HA H 66 4.281 4.842 -0.561 1
1 790 . 15 1 1 A 66 66 PRO C C 66 172.940 176.362 -3.422 1
1 791 . 15 1 1 A 66 66 PRO CA C 66 63.677 63.003 0.674 1
1 792 . 15 1 1 A 66 66 PRO CB C 66 32.592 33.057 -0.465 1
1 795 . 15 1 1 A 67 67 TRP H H 67 8.716 8.520 0.196 1
1 796 . 15 1 1 A 67 67 TRP HA H 67 5.406 5.313 0.093 1
1 805 . 15 1 1 A 67 67 TRP C C 67 172.919 173.803 -0.884 1
1 806 . 15 1 1 A 67 67 TRP CA C 67 56.035 55.290 0.745 1
1 807 . 15 1 1 A 67 67 TRP CB C 67 34.026 31.886 2.140 1
1 813 . 15 1 1 A 67 67 TRP N N 67 121.250 118.304 2.946 1
1 815 . 15 1 1 A 68 68 CYS H H 68 8.384 9.046 -0.662 1
1 816 . 15 1 1 A 68 68 CYS HA H 68 4.265 4.627 -0.362 1
1 819 . 15 1 1 A 68 68 CYS C C 68 175.079 172.985 2.094 1
1 820 . 15 1 1 A 68 68 CYS CA C 68 55.876 55.398 0.478 1
1 821 . 15 1 1 A 68 68 CYS CB C 68 42.232 45.960 -3.728 1
1 822 . 15 1 1 A 68 68 CYS N N 68 109.624 117.309 -7.685 1
1 823 . 15 1 1 A 69 69 PHE H H 69 8.031 8.382 -0.351 1
1 824 . 15 1 1 A 69 69 PHE HA H 69 5.420 4.932 0.488 1
1 832 . 15 1 1 A 69 69 PHE C C 69 176.814 175.431 1.383 1
1 833 . 15 1 1 A 69 69 PHE CA C 69 59.299 57.995 1.304 1
1 834 . 15 1 1 A 69 69 PHE CB C 69 38.411 39.587 -1.176 1
1 840 . 15 1 1 A 69 69 PHE N N 69 120.433 121.806 -1.373 1
1 841 . 15 1 1 A 70 70 THR H H 70 8.002 8.542 -0.540 1
1 842 . 15 1 1 A 70 70 THR HA H 70 5.408 5.015 0.393 1
1 848 . 15 1 1 A 70 70 THR C C 70 173.518 174.829 -1.311 1
1 849 . 15 1 1 A 70 70 THR CA C 70 61.208 59.961 1.247 1
1 850 . 15 1 1 A 70 70 THR CB C 70 70.441 70.574 -0.133 1
1 852 . 15 1 1 A 70 70 THR N N 70 112.351 113.876 -1.525 1
1 853 . 15 1 1 A 71 71 THR H H 71 8.126 8.546 -0.420 1
1 854 . 15 1 1 A 71 71 THR HA H 71 4.037 4.527 -0.490 1
1 860 . 15 1 1 A 71 71 THR C C 71 174.903 173.759 1.144 1
1 861 . 15 1 1 A 71 71 THR CA C 71 62.413 63.069 -0.656 1
1 862 . 15 1 1 A 71 71 THR CB C 71 69.167 69.298 -0.131 1
1 864 . 15 1 1 A 71 71 THR N N 71 104.863 116.216 -11.353 1
1 865 . 15 1 1 A 72 72 ASP H H 72 9.024 7.827 1.197 1
1 866 . 15 1 1 A 72 72 ASP HA H 72 4.936 4.856 0.080 1
1 869 . 15 1 1 A 72 72 ASP C C 72 176.929 175.969 0.960 1
1 870 . 15 1 1 A 72 72 ASP CA C 72 51.333 52.100 -0.767 1
1 871 . 15 1 1 A 72 72 ASP CB C 72 43.416 42.531 0.885 1
1 872 . 15 1 1 A 72 72 ASP N N 72 126.242 122.333 3.909 1
1 873 . 15 1 1 A 73 73 PRO HA H 73 3.962 4.546 -0.584 1
1 880 . 15 1 1 A 73 73 PRO C C 73 177.045 178.058 -1.013 1
1 881 . 15 1 1 A 73 73 PRO CA C 73 64.632 64.332 0.300 1
1 882 . 15 1 1 A 73 73 PRO CB C 73 32.460 31.787 0.673 1
1 885 . 15 1 1 A 74 74 ASN H H 74 8.943 8.369 0.574 1
1 886 . 15 1 1 A 74 74 ASN HA H 74 4.854 4.583 0.271 1
1 891 . 15 1 1 A 74 74 ASN C C 74 174.443 175.074 -0.631 1
1 892 . 15 1 1 A 74 74 ASN CA C 74 53.380 55.753 -2.373 1
1 893 . 15 1 1 A 74 74 ASN CB C 74 39.333 39.422 -0.089 1
1 894 . 15 1 1 A 74 74 ASN N N 74 114.144 114.992 -0.848 1
1 896 . 15 1 1 A 75 75 LYS H H 75 7.795 7.478 0.317 1
1 897 . 15 1 1 A 75 75 LYS HA H 75 4.571 4.358 0.213 1
1 906 . 15 1 1 A 75 75 LYS C C 75 173.402 176.346 -2.944 1
1 907 . 15 1 1 A 75 75 LYS CA C 75 54.154 55.216 -1.062 1
1 908 . 15 1 1 A 75 75 LYS CB C 75 32.186 33.176 -0.990 1
1 912 . 15 1 1 A 75 75 LYS N N 75 122.835 117.450 5.385 1
1 913 . 15 1 1 A 76 76 ARG H H 76 9.132 8.682 0.450 1
1 914 . 15 1 1 A 76 76 ARG HA H 76 4.555 3.354 1.201 1
1 922 . 15 1 1 A 76 76 ARG C C 76 175.137 175.933 -0.796 1
1 923 . 15 1 1 A 76 76 ARG CA C 76 60.532 57.489 3.043 1
1 924 . 15 1 1 A 76 76 ARG CB C 76 29.307 31.217 -1.910 1
1 927 . 15 1 1 A 76 76 ARG N N 76 129.676 125.236 4.440 1
1 929 . 15 1 1 A 77 77 TRP H H 77 7.559 7.358 0.201 1
1 930 . 15 1 1 A 77 77 TRP HA H 77 5.357 5.256 0.101 1
1 939 . 15 1 1 A 77 77 TRP C C 77 172.940 174.157 -1.217 1
1 940 . 15 1 1 A 77 77 TRP CA C 77 55.044 55.554 -0.510 1
1 941 . 15 1 1 A 77 77 TRP CB C 77 31.951 32.640 -0.689 1
1 947 . 15 1 1 A 77 77 TRP N N 77 109.174 114.255 -5.081 1
1 949 . 15 1 1 A 78 78 GLU H H 78 8.638 9.075 -0.437 1
1 950 . 15 1 1 A 78 78 GLU HA H 78 3.671 4.771 -1.100 1
1 955 . 15 1 1 A 78 78 GLU C C 78 174.501 175.737 -1.236 1
1 956 . 15 1 1 A 78 78 GLU CA C 78 55.659 54.440 1.219 1
1 957 . 15 1 1 A 78 78 GLU CB C 78 34.557 34.005 0.552 1
1 959 . 15 1 1 A 78 78 GLU N N 78 118.907 119.369 -0.462 1
1 960 . 15 1 1 A 79 79 TYR H H 79 7.636 8.907 -1.271 1
1 961 . 15 1 1 A 79 79 TYR HA H 79 4.995 4.990 0.005 1
1 968 . 15 1 1 A 79 79 TYR C C 79 175.889 175.614 0.275 1
1 969 . 15 1 1 A 79 79 TYR CA C 79 60.120 58.846 1.274 1
1 970 . 15 1 1 A 79 79 TYR CB C 79 39.789 39.137 0.652 1
1 975 . 15 1 1 A 79 79 TYR N N 79 119.277 119.718 -0.441 1
1 976 . 15 1 1 A 80 80 CYS H H 80 9.398 8.937 0.461 1
1 977 . 15 1 1 A 80 80 CYS HA H 80 4.720 5.391 -0.671 1
1 980 . 15 1 1 A 80 80 CYS C C 80 172.419 171.739 0.680 1
1 981 . 15 1 1 A 80 80 CYS CA C 80 54.618 54.753 -0.135 1
1 982 . 15 1 1 A 80 80 CYS CB C 80 46.736 45.644 1.092 1
1 983 . 15 1 1 A 80 80 CYS N N 80 118.623 120.429 -1.806 1
1 984 . 15 1 1 A 81 81 ASP H H 81 9.729 8.977 0.752 1
1 985 . 15 1 1 A 81 81 ASP HA H 81 4.781 4.841 -0.060 1
1 988 . 15 1 1 A 81 81 ASP C C 81 173.576 174.603 -1.027 1
1 989 . 15 1 1 A 81 81 ASP CA C 81 52.855 52.973 -0.118 1
1 990 . 15 1 1 A 81 81 ASP CB C 81 40.733 40.688 0.045 1
1 991 . 15 1 1 A 81 81 ASP N N 81 124.777 126.554 -1.777 1
1 992 . 15 1 1 A 82 82 ILE H H 82 7.820 8.165 -0.345 1
1 993 . 15 1 1 A 82 82 ILE HA H 82 4.320 4.430 -0.110 1
1 1003 . 15 1 1 A 82 82 ILE C C 82 173.923 174.203 -0.280 1
1 1004 . 15 1 1 A 82 82 ILE CA C 82 56.118 57.642 -1.524 1
1 1005 . 15 1 1 A 82 82 ILE CB C 82 38.166 37.612 0.554 1
1 1009 . 15 1 1 A 82 82 ILE N N 82 125.281 126.462 -1.181 1
1 1010 . 15 1 1 A 83 83 PRO HA H 83 4.337 4.409 -0.072 1
1 1017 . 15 1 1 A 83 83 PRO C C 83 175.167 175.942 -0.775 1
1 1018 . 15 1 1 A 83 83 PRO CA C 83 62.844 63.302 -0.458 1
1 1019 . 15 1 1 A 83 83 PRO CB C 83 32.450 32.147 0.303 1
1 1022 . 15 1 1 A 84 84 ARG H H 84 8.656 8.365 0.291 1
1 1023 . 15 1 1 A 84 84 ARG HA H 84 4.658 5.278 -0.620 1
1 1031 . 15 1 1 A 84 84 ARG C C 84 175.137 175.027 0.110 1
1 1032 . 15 1 1 A 84 84 ARG CA C 84 55.617 54.448 1.169 1
1 1033 . 15 1 1 A 84 84 ARG CB C 84 30.482 33.039 -2.557 1
1 1036 . 15 1 1 A 84 84 ARG N N 84 122.316 122.309 0.007 1
1 1038 . 15 1 1 A 85 85 CYS H H 85 8.783 9.142 -0.359 1
1 1039 . 15 1 1 A 85 85 CYS HA H 85 4.479 5.109 -0.630 1
1 1042 . 15 1 1 A 85 85 CYS C C 85 174.906 174.203 0.703 1
1 1043 . 15 1 1 A 85 85 CYS CA C 85 54.177 54.597 -0.420 1
1 1044 . 15 1 1 A 85 85 CYS CB C 85 39.574 45.265 -5.691 1
1 1045 . 15 1 1 A 85 85 CYS N N 85 124.002 121.265 2.737 1
1 1046 . 15 1 1 A 86 86 ALA H H 86 8.746 8.656 0.090 1
1 1047 . 15 1 1 A 86 86 ALA HA H 86 4.255 4.239 0.016 1
1 1051 . 15 1 1 A 86 86 ALA C C 86 176.236 177.485 -1.249 1
1 1052 . 15 1 1 A 86 86 ALA CA C 86 53.067 54.944 -1.877 1
1 1053 . 15 1 1 A 86 86 ALA CB C 86 19.034 19.427 -0.393 1
1 1054 . 15 1 1 A 86 86 ALA N N 86 126.444 125.947 0.497 1
1 1064 . 15 2 2 B 2 2 SER HA H 100 4.570 4.787 -0.217 1
1 1067 . 15 2 2 B 2 2 SER C C 100 174.779 174.753 0.026 1
1 1068 . 15 2 2 B 2 2 SER CA C 100 58.624 59.018 -0.394 1
1 1069 . 15 2 2 B 2 2 SER CB C 100 63.939 63.872 0.067 1
1 1070 . 15 2 2 B 3 3 VAL H H 101 8.341 8.826 -0.485 1
1 1071 . 15 2 2 B 3 3 VAL HA H 101 4.151 3.915 0.236 1
1 1079 . 15 2 2 B 3 3 VAL C C 101 176.450 175.580 0.870 1
1 1080 . 15 2 2 B 3 3 VAL CA C 101 62.793 64.309 -1.516 1
1 1081 . 15 2 2 B 3 3 VAL CB C 101 32.495 32.880 -0.385 1
1 1084 . 15 2 2 B 3 3 VAL N N 101 121.954 125.020 -3.066 1
1 1085 . 15 2 2 B 4 4 GLU H H 102 8.521 7.897 0.624 1
1 1086 . 15 2 2 B 4 4 GLU HA H 102 4.291 4.013 0.278 1
1 1091 . 15 2 2 B 4 4 GLU C C 102 176.450 175.134 1.316 1
1 1092 . 15 2 2 B 4 4 GLU CA C 102 56.955 57.149 -0.194 1
1 1093 . 15 2 2 B 4 4 GLU CB C 102 30.233 27.920 2.313 1
1 1095 . 15 2 2 B 4 4 GLU N N 102 124.722 120.099 4.623 1
1 1096 . 15 2 2 B 5 5 LYS H H 103 8.323 7.820 0.503 1
1 1097 . 15 2 2 B 5 5 LYS HA H 103 4.313 4.575 -0.262 1
1 1106 . 15 2 2 B 5 5 LYS C C 103 176.784 176.934 -0.150 1
1 1107 . 15 2 2 B 5 5 LYS CA C 103 56.688 55.302 1.386 1
1 1108 . 15 2 2 B 5 5 LYS CB C 103 30.228 34.208 -3.980 1
1 1112 . 15 2 2 B 5 5 LYS N N 103 122.689 121.004 1.685 1
1 1113 . 15 2 2 B 6 6 LEU H H 104 8.369 8.051 0.318 1
1 1114 . 15 2 2 B 6 6 LEU HA H 104 4.500 4.462 0.038 1
1 1124 . 15 2 2 B 6 6 LEU C C 104 177.632 175.819 1.813 1
1 1125 . 15 2 2 B 6 6 LEU CA C 104 55.480 54.210 1.270 1
1 1126 . 15 2 2 B 6 6 LEU CB C 104 42.587 42.020 0.567 1
1 1130 . 15 2 2 B 6 6 LEU N N 104 123.373 121.184 2.189 1
1 1131 . 15 2 2 B 7 7 THR HA H 105 4.558 4.697 -0.139 1
1 1137 . 15 2 2 B 7 7 THR C C 105 175.614 174.791 0.823 1
1 1138 . 15 2 2 B 7 7 THR CA C 105 62.000 60.114 1.886 1
1 1139 . 15 2 2 B 7 7 THR CB C 105 70.090 71.241 -1.151 1
1 1141 . 15 2 2 B 8 8 ALA H H 106 8.649 9.060 -0.411 1
1 1142 . 15 2 2 B 8 8 ALA HA H 106 4.458 4.065 0.393 1
1 1146 . 15 2 2 B 8 8 ALA C C 106 179.290 179.396 -0.106 1
1 1147 . 15 2 2 B 8 8 ALA CA C 106 55.552 55.530 0.022 1
1 1148 . 15 2 2 B 8 8 ALA CB C 106 18.704 18.085 0.619 1
1 1149 . 15 2 2 B 8 8 ALA N N 106 124.857 129.307 -4.450 1
1 1150 . 15 2 2 B 9 9 ASP H H 107 8.286 8.383 -0.097 1
1 1151 . 15 2 2 B 9 9 ASP HA H 107 4.457 4.422 0.035 1
1 1154 . 15 2 2 B 9 9 ASP C C 107 178.845 178.387 0.458 1
1 1155 . 15 2 2 B 9 9 ASP CA C 107 57.733 56.746 0.987 1
1 1156 . 15 2 2 B 9 9 ASP CB C 107 40.881 39.988 0.893 1
1 1157 . 15 2 2 B 9 9 ASP N N 107 115.621 119.470 -3.849 1
1 1158 . 15 2 2 B 10 10 ALA H H 108 7.887 8.115 -0.228 1
1 1159 . 15 2 2 B 10 10 ALA HA H 108 4.182 4.115 0.067 1
1 1163 . 15 2 2 B 10 10 ALA C C 108 180.906 179.555 1.351 1
1 1164 . 15 2 2 B 10 10 ALA CA C 108 55.014 54.835 0.179 1
1 1165 . 15 2 2 B 10 10 ALA CB C 108 18.631 18.282 0.349 1
1 1166 . 15 2 2 B 10 10 ALA N N 108 122.756 122.712 0.044 1
1 1167 . 15 2 2 B 11 11 GLU H H 109 8.390 7.936 0.454 1
1 1168 . 15 2 2 B 11 11 GLU HA H 109 4.256 4.133 0.123 1
1 1173 . 15 2 2 B 11 11 GLU C C 109 178.678 178.957 -0.279 1
1 1174 . 15 2 2 B 11 11 GLU CA C 109 59.105 58.711 0.394 1
1 1175 . 15 2 2 B 11 11 GLU CB C 109 29.559 29.463 0.096 1
1 1177 . 15 2 2 B 11 11 GLU N N 109 121.999 118.838 3.161 1
1 1178 . 15 2 2 B 12 12 LEU H H 110 8.395 8.867 -0.472 1
1 1179 . 15 2 2 B 12 12 LEU HA H 110 3.808 3.961 -0.153 1
1 1189 . 15 2 2 B 12 12 LEU C C 110 178.288 179.115 -0.827 1
1 1190 . 15 2 2 B 12 12 LEU CA C 110 58.407 58.027 0.380 1
1 1191 . 15 2 2 B 12 12 LEU CB C 110 41.329 41.263 0.066 1
1 1195 . 15 2 2 B 12 12 LEU N N 110 119.939 120.085 -0.146 1
1 1196 . 15 2 2 B 13 13 GLN H H 111 7.761 8.257 -0.496 1
1 1197 . 15 2 2 B 13 13 GLN HA H 111 4.008 3.944 0.064 1
1 1202 . 15 2 2 B 13 13 GLN C C 111 177.954 178.210 -0.256 1
1 1203 . 15 2 2 B 13 13 GLN CA C 111 58.674 59.312 -0.638 1
1 1204 . 15 2 2 B 13 13 GLN CB C 111 28.513 28.267 0.246 1
1 1206 . 15 2 2 B 13 13 GLN N N 111 117.305 119.337 -2.032 1
1 1207 . 15 2 2 B 14 14 ARG H H 112 7.752 7.569 0.183 1
1 1208 . 15 2 2 B 14 14 ARG HA H 112 4.053 4.195 -0.142 1
1 1216 . 15 2 2 B 14 14 ARG C C 112 179.625 178.766 0.859 1
1 1217 . 15 2 2 B 14 14 ARG CA C 112 59.770 58.461 1.309 1
1 1218 . 15 2 2 B 14 14 ARG CB C 112 29.884 29.931 -0.047 1
1 1221 . 15 2 2 B 14 14 ARG N N 112 121.241 120.114 1.127 1
1 1223 . 15 2 2 B 15 15 LEU H H 113 8.478 8.393 0.085 1
1 1224 . 15 2 2 B 15 15 LEU HA H 113 3.974 3.926 0.048 1
1 1234 . 15 2 2 B 15 15 LEU C C 113 180.627 178.807 1.820 1
1 1235 . 15 2 2 B 15 15 LEU CA C 113 58.251 58.003 0.248 1
1 1236 . 15 2 2 B 15 15 LEU CB C 113 41.751 41.643 0.108 1
1 1240 . 15 2 2 B 15 15 LEU N N 113 120.898 119.591 1.307 1
1 1241 . 15 2 2 B 16 16 LYS H H 114 8.437 8.305 0.132 1
1 1242 . 15 2 2 B 16 16 LYS HA H 114 3.368 3.811 -0.443 1
1 1251 . 15 2 2 B 16 16 LYS C C 114 178.288 178.860 -0.572 1
1 1252 . 15 2 2 B 16 16 LYS CA C 114 60.242 59.809 0.433 1
1 1253 . 15 2 2 B 16 16 LYS CB C 114 30.249 31.983 -1.734 1
1 1257 . 15 2 2 B 16 16 LYS N N 114 123.214 120.540 2.674 1
1 1258 . 15 2 2 B 17 17 ASN H H 115 8.137 8.374 -0.237 1
1 1259 . 15 2 2 B 17 17 ASN HA H 115 4.270 4.566 -0.296 1
1 1264 . 15 2 2 B 17 17 ASN C C 115 178.288 177.260 1.028 1
1 1265 . 15 2 2 B 17 17 ASN CA C 115 56.318 56.158 0.160 1
1 1266 . 15 2 2 B 17 17 ASN CB C 115 37.573 37.363 0.210 1
1 1267 . 15 2 2 B 17 17 ASN N N 115 117.923 115.219 2.704 1
1 1269 . 15 2 2 B 18 18 GLU H H 116 8.110 8.787 -0.677 1
1 1270 . 15 2 2 B 18 18 GLU HA H 116 4.146 4.044 0.102 1
1 1275 . 15 2 2 B 18 18 GLU C C 116 178.956 178.619 0.337 1
1 1276 . 15 2 2 B 18 18 GLU CA C 116 59.659 59.577 0.082 1
1 1277 . 15 2 2 B 18 18 GLU CB C 116 29.950 29.180 0.770 1
1 1279 . 15 2 2 B 18 18 GLU N N 116 120.249 120.316 -0.067 1
1 1280 . 15 2 2 B 19 19 ARG H H 117 7.925 8.099 -0.174 1
1 1281 . 15 2 2 B 19 19 ARG HA H 117 4.057 4.054 0.003 1
1 1289 . 15 2 2 B 19 19 ARG C C 117 180.070 179.211 0.859 1
1 1290 . 15 2 2 B 19 19 ARG CA C 117 59.564 59.418 0.146 1
1 1291 . 15 2 2 B 19 19 ARG CB C 117 29.879 29.846 0.033 1
1 1294 . 15 2 2 B 19 19 ARG N N 117 119.801 118.597 1.204 1
1 1296 . 15 2 2 B 20 20 HIS H H 118 8.316 7.540 0.776 1
1 1297 . 15 2 2 B 20 20 HIS HA H 118 4.574 4.257 0.317 1
1 1304 . 15 2 2 B 20 20 HIS C C 118 176.784 178.026 -1.242 1
1 1305 . 15 2 2 B 20 20 HIS CA C 118 58.397 59.757 -1.360 1
1 1306 . 15 2 2 B 20 20 HIS CB C 118 29.343 29.708 -0.365 1
1 1309 . 15 2 2 B 20 20 HIS N N 118 117.802 118.777 -0.975 1
1 1310 . 15 2 2 B 21 21 GLU H H 119 8.400 8.550 -0.150 1
1 1311 . 15 2 2 B 21 21 GLU HA H 119 4.268 3.832 0.436 1
1 1316 . 15 2 2 B 21 21 GLU C C 119 178.566 179.175 -0.609 1
1 1317 . 15 2 2 B 21 21 GLU CA C 119 59.105 59.926 -0.821 1
1 1318 . 15 2 2 B 21 21 GLU CB C 119 29.559 29.434 0.125 1
1 1320 . 15 2 2 B 21 21 GLU N N 119 121.996 119.211 2.785 1
1 1321 . 15 2 2 B 22 22 GLU H H 120 8.285 8.552 -0.267 1
1 1322 . 15 2 2 B 22 22 GLU HA H 120 4.204 4.017 0.187 1
1 1327 . 15 2 2 B 22 22 GLU C C 120 178.288 179.039 -0.751 1
1 1328 . 15 2 2 B 22 22 GLU CA C 120 58.841 59.123 -0.282 1
1 1329 . 15 2 2 B 22 22 GLU CB C 120 29.322 29.637 -0.315 1
1 1331 . 15 2 2 B 22 22 GLU N N 120 119.798 120.808 -1.010 1
1 1332 . 15 2 2 B 23 23 ALA H H 121 8.037 8.490 -0.453 1
1 1333 . 15 2 2 B 23 23 ALA HA H 121 4.270 4.123 0.147 1
1 1337 . 15 2 2 B 23 23 ALA C C 121 179.569 179.553 0.016 1
1 1338 . 15 2 2 B 23 23 ALA CA C 121 54.158 55.160 -1.002 1
1 1339 . 15 2 2 B 23 23 ALA CB C 121 18.923 18.308 0.615 1
1 1340 . 15 2 2 B 23 23 ALA N N 121 122.418 122.724 -0.306 1
1 1341 . 15 2 2 B 24 24 GLU H H 122 8.039 7.944 0.095 1
1 1342 . 15 2 2 B 24 24 GLU HA H 122 4.291 4.035 0.256 1
1 1347 . 15 2 2 B 24 24 GLU C C 122 177.954 179.770 -1.816 1
1 1348 . 15 2 2 B 24 24 GLU CA C 122 58.023 59.283 -1.260 1
1 1349 . 15 2 2 B 24 24 GLU CB C 122 29.566 30.148 -0.582 1
1 1351 . 15 2 2 B 24 24 GLU N N 122 119.517 118.487 1.030 1
1 1352 . 15 2 2 B 25 25 LEU H H 123 7.962 8.875 -0.913 1
1 1353 . 15 2 2 B 25 25 LEU HA H 123 4.226 4.020 0.206 1
1 1363 . 15 2 2 B 25 25 LEU C C 123 179.123 178.959 0.164 1
1 1364 . 15 2 2 B 25 25 LEU CA C 123 57.213 58.142 -0.929 1
1 1365 . 15 2 2 B 25 25 LEU CB C 123 41.809 41.448 0.361 1
1 1369 . 15 2 2 B 25 25 LEU N N 123 120.617 120.470 0.147 1
1 1370 . 15 2 2 B 26 26 GLU H H 124 8.093 8.234 -0.141 1
1 1371 . 15 2 2 B 26 26 GLU HA H 124 4.140 4.008 0.132 1
1 1376 . 15 2 2 B 26 26 GLU C C 124 177.954 179.109 -1.155 1
1 1377 . 15 2 2 B 26 26 GLU CA C 124 58.095 59.538 -1.443 1
1 1378 . 15 2 2 B 26 26 GLU CB C 124 29.910 29.095 0.815 1
1 1380 . 15 2 2 B 26 26 GLU N N 124 119.473 120.441 -0.968 1
1 1381 . 15 2 2 B 27 27 ARG H H 125 7.954 7.973 -0.019 1
1 1382 . 15 2 2 B 27 27 ARG HA H 125 4.210 4.192 0.018 1
1 1390 . 15 2 2 B 27 27 ARG C C 125 177.619 178.607 -0.988 1
1 1391 . 15 2 2 B 27 27 ARG CA C 125 57.677 58.399 -0.722 1
1 1392 . 15 2 2 B 27 27 ARG CB C 125 30.374 29.898 0.476 1
1 1395 . 15 2 2 B 27 27 ARG N N 125 120.670 120.549 0.121 1
1 1397 . 15 2 2 B 28 28 LEU H H 126 8.038 8.335 -0.297 1
1 1398 . 15 2 2 B 28 28 LEU HA H 126 4.270 4.062 0.208 1
1 1408 . 15 2 2 B 28 28 LEU C C 126 178.065 178.378 -0.313 1
1 1409 . 15 2 2 B 28 28 LEU CA C 126 56.096 57.887 -1.791 1
1 1410 . 15 2 2 B 28 28 LEU CB C 126 42.252 41.830 0.422 1
1 1414 . 15 2 2 B 28 28 LEU N N 126 120.818 121.132 -0.314 1
1 1415 . 15 2 2 B 29 29 LYS H H 127 7.944 8.170 -0.226 1
1 1416 . 15 2 2 B 29 29 LYS HA H 127 4.270 4.142 0.128 1
1 1425 . 15 2 2 B 29 29 LYS C C 127 176.951 176.222 0.729 1
1 1426 . 15 2 2 B 29 29 LYS CA C 127 57.168 59.052 -1.884 1
1 1427 . 15 2 2 B 29 29 LYS CB C 127 32.755 32.713 0.042 1
1 1431 . 15 2 2 B 29 29 LYS N N 127 119.960 119.579 0.381 1
1 1432 . 15 2 2 B 30 30 SER H H 128 8.030 7.973 0.057 1
1 1433 . 15 2 2 B 30 30 SER HA H 128 4.466 4.079 0.387 1
1 1436 . 15 2 2 B 30 30 SER C C 128 176.101 173.796 2.305 1
1 1437 . 15 2 2 B 30 30 SER CA C 128 58.590 59.530 -0.940 1
1 1438 . 15 2 2 B 30 30 SER CB C 128 63.939 61.376 2.563 1
1 1439 . 15 2 2 B 30 30 SER N N 128 115.496 113.803 1.693 1
1 1440 . 15 2 2 B 31 31 GLU H H 129 8.157 8.324 -0.167 1
1 1441 . 15 2 2 B 31 31 GLU HA H 129 4.291 4.259 0.032 1
1 1446 . 15 2 2 B 31 31 GLU C C 129 175.112 174.242 0.870 1
1 1447 . 15 2 2 B 31 31 GLU CA C 129 56.654 58.699 -2.045 1
1 1448 . 15 2 2 B 31 31 GLU CB C 129 30.389 28.832 1.557 1
1 1450 . 15 2 2 B 31 31 GLU N N 129 122.569 112.153 10.416 1
1 1 . 16 1 1 A 2 2 VAL H H 2 7.944 8.940 -0.996 1
1 2 . 16 1 1 A 2 2 VAL HA H 2 4.035 4.328 -0.293 1
1 10 . 16 1 1 A 2 2 VAL C C 2 174.807 175.760 -0.953 1
1 11 . 16 1 1 A 2 2 VAL CA C 2 61.947 63.543 -1.596 1
1 12 . 16 1 1 A 2 2 VAL CB C 2 33.175 31.082 2.093 1
1 15 . 16 1 1 A 2 2 VAL N N 2 123.960 123.473 0.487 1
1 16 . 16 1 1 A 3 3 GLU H H 3 8.465 8.833 -0.368 1
1 17 . 16 1 1 A 3 3 GLU HA H 3 4.168 4.648 -0.480 1
1 22 . 16 1 1 A 3 3 GLU C C 3 175.888 175.610 0.278 1
1 23 . 16 1 1 A 3 3 GLU CA C 3 56.487 58.136 -1.649 1
1 24 . 16 1 1 A 3 3 GLU CB C 3 30.349 32.141 -1.792 1
1 26 . 16 1 1 A 3 3 GLU N N 3 125.549 127.729 -2.180 1
1 27 . 16 1 1 A 4 4 PHE H H 4 8.330 7.943 0.387 1
1 28 . 16 1 1 A 4 4 PHE HA H 4 4.651 4.794 -0.143 1
1 36 . 16 1 1 A 4 4 PHE C C 4 175.550 175.238 0.312 1
1 37 . 16 1 1 A 4 4 PHE CA C 4 57.827 56.772 1.055 1
1 38 . 16 1 1 A 4 4 PHE CB C 4 39.623 39.842 -0.219 1
1 44 . 16 1 1 A 4 4 PHE N N 4 121.869 119.334 2.535 1
1 45 . 16 1 1 A 5 5 SER H H 5 8.177 8.486 -0.309 1
1 46 . 16 1 1 A 5 5 SER HA H 5 4.395 4.515 -0.120 1
1 49 . 16 1 1 A 5 5 SER C C 5 173.996 174.616 -0.620 1
1 50 . 16 1 1 A 5 5 SER CA C 5 58.045 61.069 -3.024 1
1 51 . 16 1 1 A 5 5 SER CB C 5 64.050 64.061 -0.011 1
1 52 . 16 1 1 A 5 5 SER N N 5 117.865 121.726 -3.861 1
1 53 . 16 1 1 A 6 6 GLU H H 6 8.425 7.476 0.949 1
1 54 . 16 1 1 A 6 6 GLU HA H 6 4.290 4.462 -0.172 1
1 59 . 16 1 1 A 6 6 GLU C C 6 176.699 176.111 0.588 1
1 60 . 16 1 1 A 6 6 GLU CA C 6 56.479 55.574 0.905 1
1 61 . 16 1 1 A 6 6 GLU CB C 6 30.715 28.809 1.906 1
1 63 . 16 1 1 A 6 6 GLU N N 6 122.791 119.805 2.986 1
1 64 . 16 1 1 A 7 7 GLU H H 7 8.421 8.828 -0.407 1
1 65 . 16 1 1 A 7 7 GLU HA H 7 4.742 3.734 1.008 1
1 70 . 16 1 1 A 7 7 GLU C C 7 175.145 176.532 -1.387 1
1 71 . 16 1 1 A 7 7 GLU CA C 7 55.617 58.585 -2.968 1
1 72 . 16 1 1 A 7 7 GLU CB C 7 29.095 30.449 -1.354 1
1 74 . 16 1 1 A 7 7 GLU N N 7 122.775 124.516 -1.741 1
1 75 . 16 1 1 A 8 8 CYS H H 8 7.917 7.647 0.270 1
1 76 . 16 1 1 A 8 8 CYS HA H 8 4.969 4.655 0.314 1
1 79 . 16 1 1 A 8 8 CYS C C 8 171.610 171.606 0.004 1
1 80 . 16 1 1 A 8 8 CYS CA C 8 53.880 55.083 -1.203 1
1 81 . 16 1 1 A 8 8 CYS CB C 8 43.144 44.497 -1.353 1
1 82 . 16 1 1 A 8 8 CYS N N 8 115.067 114.217 0.850 1
1 83 . 16 1 1 A 9 9 MET H H 9 9.379 8.436 0.943 1
1 84 . 16 1 1 A 9 9 MET HA H 9 5.049 4.597 0.452 1
1 89 . 16 1 1 A 9 9 MET C C 9 174.038 175.250 -1.212 1
1 90 . 16 1 1 A 9 9 MET CA C 9 53.312 53.735 -0.423 1
1 91 . 16 1 1 A 9 9 MET CB C 9 36.165 32.956 3.209 1
1 93 . 16 1 1 A 9 9 MET N N 9 117.763 119.649 -1.886 1
1 94 . 16 1 1 A 10 10 HIS H H 10 9.610 8.064 1.546 1
1 95 . 16 1 1 A 10 10 HIS HA H 10 4.877 4.721 0.156 1
1 102 . 16 1 1 A 10 10 HIS C C 10 176.698 175.272 1.426 1
1 103 . 16 1 1 A 10 10 HIS CA C 10 55.016 55.955 -0.939 1
1 104 . 16 1 1 A 10 10 HIS CB C 10 31.116 29.456 1.660 1
1 107 . 16 1 1 A 10 10 HIS N N 10 124.293 122.054 2.239 1
1 108 . 16 1 1 A 11 11 GLY H H 11 9.249 8.218 1.031 1
1 109 . 16 1 1 A 11 11 GLY HA2 H 11 4.104 3.978 0.126 1
1 110 . 16 1 1 A 11 11 GLY HA3 H 11 3.843 3.995 -0.152 1
1 111 . 16 1 1 A 11 11 GLY C C 11 174.559 174.429 0.130 1
1 112 . 16 1 1 A 11 11 GLY CA C 11 47.652 44.505 3.147 1
1 113 . 16 1 1 A 11 11 GLY N N 11 115.224 112.592 2.632 1
1 114 . 16 1 1 A 12 12 SER H H 12 8.999 8.699 0.300 1
1 115 . 16 1 1 A 12 12 SER HA H 12 4.653 4.535 0.118 1
1 118 . 16 1 1 A 12 12 SER C C 12 176.178 175.619 0.559 1
1 119 . 16 1 1 A 12 12 SER CA C 12 57.731 58.693 -0.962 1
1 120 . 16 1 1 A 12 12 SER CB C 12 63.439 63.761 -0.322 1
1 121 . 16 1 1 A 12 12 SER N N 12 121.965 118.230 3.735 1
1 122 . 16 1 1 A 13 13 GLY H H 13 9.022 8.032 0.990 1
1 123 . 16 1 1 A 13 13 GLY HA2 H 13 4.052 3.861 0.191 1
1 124 . 16 1 1 A 13 13 GLY HA3 H 13 3.957 3.870 0.087 1
1 125 . 16 1 1 A 13 13 GLY C C 13 176.178 175.704 0.474 1
1 126 . 16 1 1 A 13 13 GLY CA C 13 47.972 45.287 2.685 1
1 127 . 16 1 1 A 13 13 GLY N N 13 109.294 109.583 -0.289 1
1 128 . 16 1 1 A 14 14 GLU H H 14 9.552 8.495 1.057 1
1 129 . 16 1 1 A 14 14 GLU HA H 14 4.347 4.821 -0.474 1
1 134 . 16 1 1 A 14 14 GLU C C 14 177.045 176.959 0.086 1
1 135 . 16 1 1 A 14 14 GLU CA C 14 60.282 58.648 1.634 1
1 136 . 16 1 1 A 14 14 GLU CB C 14 29.145 29.440 -0.295 1
1 138 . 16 1 1 A 14 14 GLU N N 14 123.736 119.888 3.848 1
1 139 . 16 1 1 A 15 15 ASN H H 15 8.425 8.004 0.421 1
1 140 . 16 1 1 A 15 15 ASN HA H 15 5.030 4.952 0.078 1
1 144 . 16 1 1 A 15 15 ASN C C 15 174.848 174.617 0.231 1
1 145 . 16 1 1 A 15 15 ASN CA C 15 51.725 52.200 -0.475 1
1 146 . 16 1 1 A 15 15 ASN CB C 15 38.404 39.032 -0.628 1
1 147 . 16 1 1 A 15 15 ASN N N 15 112.918 117.720 -4.802 1
1 150 . 16 1 1 A 16 16 TYR H H 16 7.622 7.546 0.076 1
1 151 . 16 1 1 A 16 16 TYR HA H 16 4.445 4.723 -0.278 1
1 159 . 16 1 1 A 16 16 TYR C C 16 175.773 175.903 -0.130 1
1 160 . 16 1 1 A 16 16 TYR CA C 16 60.125 58.713 1.412 1
1 161 . 16 1 1 A 16 16 TYR CB C 16 38.590 38.927 -0.337 1
1 166 . 16 1 1 A 16 16 TYR N N 16 121.437 122.002 -0.565 1
1 167 . 16 1 1 A 17 17 ASP H H 17 8.722 8.510 0.212 1
1 168 . 16 1 1 A 17 17 ASP HA H 17 4.599 4.859 -0.260 1
1 171 . 16 1 1 A 17 17 ASP C C 17 175.748 176.272 -0.524 1
1 172 . 16 1 1 A 17 17 ASP CA C 17 52.327 52.828 -0.501 1
1 173 . 16 1 1 A 17 17 ASP CB C 17 42.265 40.943 1.322 1
1 174 . 16 1 1 A 17 17 ASP N N 17 130.345 125.407 4.938 1
1 175 . 16 1 1 A 18 18 GLY H H 18 4.504 6.737 -2.233 1
1 176 . 16 1 1 A 18 18 GLY HA2 H 18 4.092 3.392 0.700 1
1 177 . 16 1 1 A 18 18 GLY HA3 H 18 3.786 3.747 0.039 1
1 178 . 16 1 1 A 18 18 GLY C C 18 174.732 174.035 0.697 1
1 179 . 16 1 1 A 18 18 GLY CA C 18 44.739 44.114 0.625 1
1 180 . 16 1 1 A 18 18 GLY N N 18 104.445 108.332 -3.887 1
1 181 . 16 1 1 A 19 19 LYS H H 19 9.272 8.355 0.917 1
1 182 . 16 1 1 A 19 19 LYS HA H 19 3.248 3.295 -0.047 1
1 191 . 16 1 1 A 19 19 LYS C C 19 176.409 175.845 0.564 1
1 192 . 16 1 1 A 19 19 LYS CA C 19 55.454 55.490 -0.036 1
1 193 . 16 1 1 A 19 19 LYS CB C 19 32.499 32.099 0.400 1
1 197 . 16 1 1 A 19 19 LYS N N 19 117.569 117.625 -0.056 1
1 198 . 16 1 1 A 20 20 ILE H H 20 7.559 7.055 0.504 1
1 199 . 16 1 1 A 20 20 ILE HA H 20 3.991 4.165 -0.174 1
1 209 . 16 1 1 A 20 20 ILE C C 20 176.756 175.983 0.773 1
1 210 . 16 1 1 A 20 20 ILE CA C 20 64.261 62.521 1.740 1
1 211 . 16 1 1 A 20 20 ILE CB C 20 36.212 38.328 -2.116 1
1 215 . 16 1 1 A 20 20 ILE N N 20 122.778 123.291 -0.513 1
1 216 . 16 1 1 A 21 21 SER H H 21 8.817 8.971 -0.154 1
1 217 . 16 1 1 A 21 21 SER HA H 21 5.128 5.111 0.017 1
1 220 . 16 1 1 A 21 21 SER C C 21 172.708 173.923 -1.215 1
1 221 . 16 1 1 A 21 21 SER CA C 21 57.513 57.381 0.132 1
1 222 . 16 1 1 A 21 21 SER CB C 21 65.126 64.784 0.342 1
1 223 . 16 1 1 A 21 21 SER N N 21 122.859 121.099 1.760 1
1 224 . 16 1 1 A 22 22 LYS H H 22 7.150 7.741 -0.591 1
1 225 . 16 1 1 A 22 22 LYS HA H 22 5.530 5.317 0.213 1
1 234 . 16 1 1 A 22 22 LYS C C 22 176.120 176.726 -0.606 1
1 235 . 16 1 1 A 22 22 LYS CA C 22 53.471 54.938 -1.467 1
1 236 . 16 1 1 A 22 22 LYS CB C 22 37.049 35.720 1.329 1
1 240 . 16 1 1 A 22 22 LYS N N 22 119.681 120.726 -1.045 1
1 241 . 16 1 1 A 23 23 THR H H 23 9.134 9.015 0.119 1
1 242 . 16 1 1 A 23 23 THR HA H 23 4.630 4.688 -0.058 1
1 248 . 16 1 1 A 23 23 THR C C 23 177.971 176.124 1.847 1
1 249 . 16 1 1 A 23 23 THR CA C 23 61.032 60.823 0.209 1
1 250 . 16 1 1 A 23 23 THR CB C 23 70.818 71.341 -0.523 1
1 252 . 16 1 1 A 23 23 THR N N 23 111.072 115.048 -3.976 1
1 253 . 16 1 1 A 24 24 MET H H 24 9.383 9.440 -0.057 1
1 254 . 16 1 1 A 24 24 MET HA H 24 4.168 4.240 -0.072 1
1 259 . 16 1 1 A 24 24 MET C C 24 176.122 176.751 -0.629 1
1 260 . 16 1 1 A 24 24 MET CA C 24 58.704 57.679 1.025 1
1 261 . 16 1 1 A 24 24 MET CB C 24 32.546 32.492 0.054 1
1 263 . 16 1 1 A 24 24 MET N N 24 118.120 119.864 -1.744 1
1 264 . 16 1 1 A 25 25 SER H H 25 7.763 7.887 -0.124 1
1 265 . 16 1 1 A 25 25 SER HA H 25 4.575 4.460 0.115 1
1 269 . 16 1 1 A 25 25 SER C C 25 174.848 175.475 -0.627 1
1 270 . 16 1 1 A 25 25 SER CA C 25 58.895 59.202 -0.307 1
1 271 . 16 1 1 A 25 25 SER CB C 25 62.844 64.178 -1.334 1
1 272 . 16 1 1 A 25 25 SER N N 25 113.626 110.700 2.926 1
1 273 . 16 1 1 A 26 26 GLY H H 26 8.136 8.051 0.085 1
1 274 . 16 1 1 A 26 26 GLY HA2 H 26 4.305 3.990 0.315 1
1 275 . 16 1 1 A 26 26 GLY HA3 H 26 3.503 3.997 -0.494 1
1 276 . 16 1 1 A 26 26 GLY C C 26 174.212 174.662 -0.450 1
1 277 . 16 1 1 A 26 26 GLY CA C 26 45.125 46.166 -1.041 1
1 278 . 16 1 1 A 26 26 GLY N N 26 110.819 111.247 -0.428 1
1 279 . 16 1 1 A 27 27 LEU H H 27 7.183 8.403 -1.220 1
1 280 . 16 1 1 A 27 27 LEU HA H 27 4.319 4.508 -0.189 1
1 290 . 16 1 1 A 27 27 LEU C C 27 176.178 176.416 -0.238 1
1 291 . 16 1 1 A 27 27 LEU CA C 27 54.211 54.220 -0.009 1
1 292 . 16 1 1 A 27 27 LEU CB C 27 42.260 42.645 -0.385 1
1 296 . 16 1 1 A 27 27 LEU N N 27 120.765 122.343 -1.578 1
1 297 . 16 1 1 A 28 28 GLU H H 28 8.699 8.662 0.037 1
1 298 . 16 1 1 A 28 28 GLU HA H 28 4.506 4.448 0.058 1
1 303 . 16 1 1 A 28 28 GLU C C 28 177.161 176.571 0.590 1
1 304 . 16 1 1 A 28 28 GLU CA C 28 56.451 55.833 0.618 1
1 305 . 16 1 1 A 28 28 GLU CB C 28 30.018 30.449 -0.431 1
1 307 . 16 1 1 A 28 28 GLU N N 28 122.582 121.256 1.326 1
1 308 . 16 1 1 A 29 29 CYS H H 29 8.624 9.041 -0.417 1
1 309 . 16 1 1 A 29 29 CYS HA H 29 4.812 4.969 -0.157 1
1 312 . 16 1 1 A 29 29 CYS C C 29 177.045 173.165 3.880 1
1 313 . 16 1 1 A 29 29 CYS CA C 29 55.189 56.640 -1.451 1
1 314 . 16 1 1 A 29 29 CYS CB C 29 37.938 42.692 -4.754 1
1 315 . 16 1 1 A 29 29 CYS N N 29 125.564 124.991 0.573 1
1 316 . 16 1 1 A 30 30 GLN H H 30 9.664 8.970 0.694 1
1 317 . 16 1 1 A 30 30 GLN HA H 30 3.841 4.522 -0.681 1
1 324 . 16 1 1 A 30 30 GLN C C 30 175.310 175.894 -0.584 1
1 325 . 16 1 1 A 30 30 GLN CA C 30 55.501 54.606 0.895 1
1 326 . 16 1 1 A 30 30 GLN CB C 30 29.943 30.309 -0.366 1
1 328 . 16 1 1 A 30 30 GLN N N 30 127.687 125.175 2.512 1
1 330 . 16 1 1 A 31 31 ALA H H 31 8.728 8.749 -0.021 1
1 331 . 16 1 1 A 31 31 ALA HA H 31 4.052 4.487 -0.435 1
1 335 . 16 1 1 A 31 31 ALA C C 31 178.722 178.622 0.100 1
1 336 . 16 1 1 A 31 31 ALA CA C 31 52.327 52.817 -0.490 1
1 337 . 16 1 1 A 31 31 ALA CB C 31 18.034 19.237 -1.203 1
1 338 . 16 1 1 A 31 31 ALA N N 31 128.680 128.608 0.072 1
1 339 . 16 1 1 A 32 32 TRP H H 32 7.703 8.636 -0.933 1
1 340 . 16 1 1 A 32 32 TRP HA H 32 4.244 4.501 -0.257 1
1 349 . 16 1 1 A 32 32 TRP C C 32 177.566 178.345 -0.779 1
1 350 . 16 1 1 A 32 32 TRP CA C 32 59.531 60.164 -0.633 1
1 351 . 16 1 1 A 32 32 TRP CB C 32 29.953 29.260 0.693 1
1 357 . 16 1 1 A 32 32 TRP N N 32 123.505 124.297 -0.792 1
1 359 . 16 1 1 A 33 33 ASP H H 33 8.797 7.981 0.816 1
1 360 . 16 1 1 A 33 33 ASP HA H 33 4.634 4.736 -0.102 1
1 363 . 16 1 1 A 33 33 ASP C C 33 175.831 175.982 -0.151 1
1 364 . 16 1 1 A 33 33 ASP CA C 33 54.398 55.273 -0.875 1
1 365 . 16 1 1 A 33 33 ASP CB C 33 40.707 41.227 -0.520 1
1 366 . 16 1 1 A 33 33 ASP N N 33 113.424 119.638 -6.214 1
1 367 . 16 1 1 A 34 34 SER H H 34 8.039 7.959 0.080 1
1 368 . 16 1 1 A 34 34 SER HA H 34 4.737 4.824 -0.087 1
1 372 . 16 1 1 A 34 34 SER C C 34 174.096 174.214 -0.118 1
1 373 . 16 1 1 A 34 34 SER CA C 34 56.454 56.316 0.138 1
1 374 . 16 1 1 A 34 34 SER CB C 34 65.137 64.611 0.526 1
1 375 . 16 1 1 A 34 34 SER N N 34 114.429 116.268 -1.839 1
1 376 . 16 1 1 A 35 35 GLN H H 35 8.387 8.983 -0.596 1
1 377 . 16 1 1 A 35 35 GLN HA H 35 4.426 4.539 -0.113 1
1 384 . 16 1 1 A 35 35 GLN C C 35 173.518 175.194 -1.676 1
1 385 . 16 1 1 A 35 35 GLN CA C 35 54.020 55.536 -1.516 1
1 386 . 16 1 1 A 35 35 GLN CB C 35 28.804 29.396 -0.592 1
1 388 . 16 1 1 A 35 35 GLN N N 35 123.700 125.321 -1.621 1
1 390 . 16 1 1 A 36 36 SER H H 36 7.746 7.223 0.523 1
1 391 . 16 1 1 A 36 36 SER HA H 36 4.466 4.827 -0.361 1
1 395 . 16 1 1 A 36 36 SER C C 36 172.824 173.917 -1.093 1
1 396 . 16 1 1 A 36 36 SER CA C 36 54.749 54.897 -0.148 1
1 397 . 16 1 1 A 36 36 SER CB C 36 65.162 65.849 -0.687 1
1 398 . 16 1 1 A 36 36 SER N N 36 112.974 116.200 -3.226 1
1 399 . 16 1 1 A 37 37 PRO HA H 37 4.382 4.532 -0.150 1
1 406 . 16 1 1 A 37 37 PRO C C 37 176.351 176.268 0.083 1
1 407 . 16 1 1 A 37 37 PRO CA C 37 64.110 64.277 -0.167 1
1 408 . 16 1 1 A 37 37 PRO CB C 37 33.670 32.039 1.631 1
1 411 . 16 1 1 A 38 38 HIS H H 38 8.764 7.703 1.061 1
1 412 . 16 1 1 A 38 38 HIS HA H 38 4.897 4.645 0.252 1
1 417 . 16 1 1 A 38 38 HIS C C 38 178.144 175.160 2.984 1
1 418 . 16 1 1 A 38 38 HIS CA C 38 55.580 56.122 -0.542 1
1 419 . 16 1 1 A 38 38 HIS CB C 38 30.421 30.598 -0.177 1
1 422 . 16 1 1 A 38 38 HIS N N 38 122.516 117.694 4.822 1
1 423 . 16 1 1 A 39 39 ALA H H 39 8.673 8.518 0.155 1
1 424 . 16 1 1 A 39 39 ALA HA H 39 4.493 4.593 -0.100 1
1 428 . 16 1 1 A 39 39 ALA C C 39 178.375 177.184 1.191 1
1 429 . 16 1 1 A 39 39 ALA CA C 39 51.440 52.200 -0.760 1
1 430 . 16 1 1 A 39 39 ALA CB C 39 18.980 19.491 -0.511 1
1 431 . 16 1 1 A 39 39 ALA N N 39 128.546 125.922 2.624 1
1 432 . 16 1 1 A 40 40 HIS H H 40 9.291 8.641 0.650 1
1 433 . 16 1 1 A 40 40 HIS HA H 40 4.734 5.318 -0.584 1
1 439 . 16 1 1 A 40 40 HIS C C 40 175.484 174.587 0.897 1
1 440 . 16 1 1 A 40 40 HIS CA C 40 56.141 53.897 2.244 1
1 441 . 16 1 1 A 40 40 HIS CB C 40 35.545 31.697 3.848 1
1 444 . 16 1 1 A 40 40 HIS N N 40 120.682 116.635 4.047 1
1 445 . 16 1 1 A 41 41 GLY H H 41 9.080 9.050 0.030 1
1 446 . 16 1 1 A 41 41 GLY HA2 H 41 4.602 3.815 0.787 1
1 447 . 16 1 1 A 41 41 GLY HA3 H 41 3.671 3.864 -0.193 1
1 448 . 16 1 1 A 41 41 GLY C C 41 176.409 173.937 2.472 1
1 449 . 16 1 1 A 41 41 GLY CA C 41 44.724 45.886 -1.162 1
1 450 . 16 1 1 A 41 41 GLY N N 41 106.159 108.014 -1.855 1
1 451 . 16 1 1 A 42 42 TYR H H 42 11.980 8.348 3.632 1
1 452 . 16 1 1 A 42 42 TYR HA H 42 4.616 5.226 -0.610 1
1 459 . 16 1 1 A 42 42 TYR C C 42 174.385 175.280 -0.895 1
1 460 . 16 1 1 A 42 42 TYR CA C 42 57.579 57.171 0.408 1
1 461 . 16 1 1 A 42 42 TYR CB C 42 36.198 36.840 -0.642 1
1 466 . 16 1 1 A 42 42 TYR N N 42 133.554 119.304 14.250 1
1 467 . 16 1 1 A 43 43 ILE H H 43 7.120 8.323 -1.203 1
1 468 . 16 1 1 A 43 43 ILE HA H 43 4.630 4.560 0.070 1
1 478 . 16 1 1 A 43 43 ILE C C 43 177.219 176.384 0.835 1
1 479 . 16 1 1 A 43 43 ILE CA C 43 58.201 58.800 -0.599 1
1 480 . 16 1 1 A 43 43 ILE CB C 43 38.761 37.720 1.041 1
1 484 . 16 1 1 A 43 43 ILE N N 43 118.881 125.606 -6.725 1
1 485 . 16 1 1 A 44 44 PRO HA H 44 4.193 4.416 -0.223 1
1 492 . 16 1 1 A 44 44 PRO C C 44 178.780 178.304 0.476 1
1 493 . 16 1 1 A 44 44 PRO CA C 44 67.061 64.896 2.165 1
1 494 . 16 1 1 A 44 44 PRO CB C 44 32.267 32.250 0.017 1
1 497 . 16 1 1 A 45 45 SER H H 45 7.984 8.433 -0.449 1
1 498 . 16 1 1 A 45 45 SER HA H 45 4.087 4.234 -0.147 1
1 502 . 16 1 1 A 45 45 SER C C 45 176.004 176.363 -0.359 1
1 503 . 16 1 1 A 45 45 SER CA C 45 60.161 61.063 -0.902 1
1 504 . 16 1 1 A 45 45 SER CB C 45 62.260 63.264 -1.004 1
1 505 . 16 1 1 A 45 45 SER N N 45 107.865 113.398 -5.533 1
1 506 . 16 1 1 A 46 46 LYS H H 46 7.769 7.501 0.268 1
1 507 . 16 1 1 A 46 46 LYS HA H 46 3.965 3.830 0.135 1
1 516 . 16 1 1 A 46 46 LYS C C 46 175.831 176.502 -0.671 1
1 517 . 16 1 1 A 46 46 LYS CA C 46 57.349 57.844 -0.495 1
1 518 . 16 1 1 A 46 46 LYS CB C 46 33.283 32.608 0.675 1
1 522 . 16 1 1 A 46 46 LYS N N 46 121.944 120.537 1.407 1
1 523 . 16 1 1 A 47 47 PHE H H 47 7.018 7.304 -0.286 1
1 524 . 16 1 1 A 47 47 PHE HA H 47 5.244 5.130 0.114 1
1 532 . 16 1 1 A 47 47 PHE C C 47 174.790 174.620 0.170 1
1 533 . 16 1 1 A 47 47 PHE CA C 47 54.142 54.558 -0.416 1
1 534 . 16 1 1 A 47 47 PHE CB C 47 39.434 38.832 0.602 1
1 539 . 16 1 1 A 47 47 PHE N N 47 115.480 115.358 0.122 1
1 540 . 16 1 1 A 48 48 PRO HA H 48 4.472 4.512 -0.040 1
1 547 . 16 1 1 A 48 48 PRO C C 48 177.681 178.264 -0.583 1
1 548 . 16 1 1 A 48 48 PRO CA C 48 65.513 64.958 0.555 1
1 549 . 16 1 1 A 48 48 PRO CB C 48 31.712 32.008 -0.296 1
1 552 . 16 1 1 A 49 49 ASN H H 49 8.559 9.018 -0.459 1
1 553 . 16 1 1 A 49 49 ASN HA H 49 4.818 4.601 0.217 1
1 558 . 16 1 1 A 49 49 ASN C C 49 175.715 175.776 -0.061 1
1 559 . 16 1 1 A 49 49 ASN CA C 49 53.372 54.172 -0.800 1
1 560 . 16 1 1 A 49 49 ASN CB C 49 37.351 37.169 0.182 1
1 561 . 16 1 1 A 49 49 ASN N N 49 114.836 114.623 0.213 1
1 563 . 16 1 1 A 50 50 LYS H H 50 7.627 7.199 0.428 1
1 564 . 16 1 1 A 50 50 LYS HA H 50 4.480 4.355 0.125 1
1 573 . 16 1 1 A 50 50 LYS C C 50 175.079 175.900 -0.821 1
1 574 . 16 1 1 A 50 50 LYS CA C 50 53.336 55.465 -2.129 1
1 575 . 16 1 1 A 50 50 LYS CB C 50 31.284 33.354 -2.070 1
1 579 . 16 1 1 A 50 50 LYS N N 50 116.224 118.193 -1.969 1
1 580 . 16 1 1 A 51 51 ASN H H 51 7.945 7.937 0.008 1
1 581 . 16 1 1 A 51 51 ASN HA H 51 4.304 4.399 -0.095 1
1 586 . 16 1 1 A 51 51 ASN C C 51 175.195 175.652 -0.457 1
1 587 . 16 1 1 A 51 51 ASN CA C 51 54.089 54.082 0.007 1
1 588 . 16 1 1 A 51 51 ASN CB C 51 36.504 37.178 -0.674 1
1 589 . 16 1 1 A 51 51 ASN N N 51 115.331 116.923 -1.592 1
1 591 . 16 1 1 A 52 52 LEU H H 52 8.803 7.868 0.935 1
1 592 . 16 1 1 A 52 52 LEU HA H 52 3.412 4.082 -0.670 1
1 602 . 16 1 1 A 52 52 LEU C C 52 174.674 174.800 -0.126 1
1 603 . 16 1 1 A 52 52 LEU CA C 52 53.983 53.840 0.143 1
1 604 . 16 1 1 A 52 52 LEU CB C 52 42.471 40.524 1.947 1
1 608 . 16 1 1 A 52 52 LEU N N 52 121.765 120.829 0.936 1
1 609 . 16 1 1 A 53 53 LYS H H 53 7.099 8.171 -1.072 1
1 610 . 16 1 1 A 53 53 LYS HA H 53 4.324 4.858 -0.534 1
1 619 . 16 1 1 A 53 53 LYS C C 53 173.460 176.544 -3.084 1
1 620 . 16 1 1 A 53 53 LYS CA C 53 54.843 54.540 0.303 1
1 621 . 16 1 1 A 53 53 LYS CB C 53 36.395 35.658 0.737 1
1 625 . 16 1 1 A 53 53 LYS N N 53 124.403 123.475 0.928 1
1 626 . 16 1 1 A 54 54 LYS H H 54 8.805 8.977 -0.172 1
1 627 . 16 1 1 A 54 54 LYS HA H 54 3.692 3.829 -0.137 1
1 636 . 16 1 1 A 54 54 LYS C C 54 173.344 175.910 -2.566 1
1 637 . 16 1 1 A 54 54 LYS CA C 54 56.366 57.721 -1.355 1
1 638 . 16 1 1 A 54 54 LYS CB C 54 29.830 30.268 -0.438 1
1 642 . 16 1 1 A 54 54 LYS N N 54 118.125 117.938 0.187 1
1 643 . 16 1 1 A 55 55 ASN H H 55 7.567 8.316 -0.749 1
1 644 . 16 1 1 A 55 55 ASN HA H 55 4.643 4.591 0.052 1
1 649 . 16 1 1 A 55 55 ASN C C 55 172.188 175.162 -2.974 1
1 650 . 16 1 1 A 55 55 ASN CA C 55 51.091 51.563 -0.472 1
1 651 . 16 1 1 A 55 55 ASN CB C 55 37.234 37.306 -0.072 1
1 652 . 16 1 1 A 55 55 ASN N N 55 123.893 121.681 2.212 1
1 654 . 16 1 1 A 56 56 TYR H H 56 7.584 7.367 0.217 1
1 655 . 16 1 1 A 56 56 TYR HA H 56 4.892 5.158 -0.266 1
1 662 . 16 1 1 A 56 56 TYR C C 56 177.276 176.066 1.210 1
1 663 . 16 1 1 A 56 56 TYR CA C 56 54.447 58.203 -3.756 1
1 664 . 16 1 1 A 56 56 TYR CB C 56 38.633 39.479 -0.846 1
1 669 . 16 1 1 A 56 56 TYR N N 56 115.237 119.904 -4.667 1
1 670 . 16 1 1 A 57 57 CYS H H 57 9.149 9.043 0.106 1
1 671 . 16 1 1 A 57 57 CYS HA H 57 4.398 4.810 -0.412 1
1 674 . 16 1 1 A 57 57 CYS C C 57 175.600 174.530 1.070 1
1 675 . 16 1 1 A 57 57 CYS CA C 57 59.824 56.947 2.877 1
1 676 . 16 1 1 A 57 57 CYS CB C 57 48.356 42.279 6.077 1
1 677 . 16 1 1 A 57 57 CYS N N 57 119.273 122.128 -2.855 1
1 678 . 16 1 1 A 58 58 ARG H H 58 9.138 8.537 0.601 1
1 679 . 16 1 1 A 58 58 ARG HA H 58 4.918 5.228 -0.310 1
1 687 . 16 1 1 A 58 58 ARG C C 58 173.576 174.619 -1.043 1
1 688 . 16 1 1 A 58 58 ARG CA C 58 53.187 54.262 -1.075 1
1 689 . 16 1 1 A 58 58 ARG CB C 58 29.412 34.386 -4.974 1
1 692 . 16 1 1 A 58 58 ARG N N 58 122.881 124.863 -1.982 1
1 694 . 16 1 1 A 59 59 ASN H H 59 8.868 8.550 0.318 1
1 695 . 16 1 1 A 59 59 ASN HA H 59 5.513 5.122 0.391 1
1 700 . 16 1 1 A 59 59 ASN C C 59 172.824 174.280 -1.456 1
1 701 . 16 1 1 A 59 59 ASN CA C 59 53.176 50.430 2.746 1
1 702 . 16 1 1 A 59 59 ASN CB C 59 37.237 38.948 -1.711 1
1 703 . 16 1 1 A 59 59 ASN N N 59 113.603 119.074 -5.471 1
1 705 . 16 1 1 A 60 60 PRO HA H 60 4.712 4.348 0.364 1
1 712 . 16 1 1 A 60 60 PRO C C 60 175.715 177.773 -2.058 1
1 713 . 16 1 1 A 60 60 PRO CA C 60 63.643 64.350 -0.707 1
1 714 . 16 1 1 A 60 60 PRO CB C 60 32.507 31.662 0.845 1
1 717 . 16 1 1 A 61 61 ASP H H 61 8.883 8.005 0.878 1
1 718 . 16 1 1 A 61 61 ASP HA H 61 4.495 4.507 -0.012 1
1 721 . 16 1 1 A 61 61 ASP C C 61 174.848 175.494 -0.646 1
1 722 . 16 1 1 A 61 61 ASP CA C 61 51.953 53.375 -1.422 1
1 723 . 16 1 1 A 61 61 ASP CB C 61 42.092 40.526 1.566 1
1 724 . 16 1 1 A 61 61 ASP N N 61 118.660 116.216 2.444 1
1 725 . 16 1 1 A 62 62 ARG H H 62 8.395 7.597 0.798 1
1 726 . 16 1 1 A 62 62 ARG HA H 62 3.789 4.270 -0.481 1
1 734 . 16 1 1 A 62 62 ARG C C 62 176.236 174.560 1.676 1
1 735 . 16 1 1 A 62 62 ARG CA C 62 57.318 57.008 0.310 1
1 736 . 16 1 1 A 62 62 ARG CB C 62 26.990 27.522 -0.532 1
1 739 . 16 1 1 A 62 62 ARG N N 62 116.013 115.070 0.943 1
1 741 . 16 1 1 A 63 63 ASP H H 63 9.735 8.021 1.714 1
1 742 . 16 1 1 A 63 63 ASP HA H 63 4.769 4.693 0.076 1
1 745 . 16 1 1 A 63 63 ASP C C 63 177.334 176.763 0.571 1
1 746 . 16 1 1 A 63 63 ASP CA C 63 51.973 52.966 -0.993 1
1 747 . 16 1 1 A 63 63 ASP CB C 63 42.698 42.520 0.178 1
1 748 . 16 1 1 A 63 63 ASP N N 63 121.799 118.089 3.710 1
1 749 . 16 1 1 A 64 64 LEU H H 64 10.919 8.588 2.331 1
1 750 . 16 1 1 A 64 64 LEU HA H 64 3.995 4.089 -0.094 1
1 760 . 16 1 1 A 64 64 LEU C C 64 176.467 176.924 -0.457 1
1 761 . 16 1 1 A 64 64 LEU CA C 64 57.772 56.929 0.843 1
1 762 . 16 1 1 A 64 64 LEU CB C 64 43.630 42.521 1.109 1
1 766 . 16 1 1 A 64 64 LEU N N 64 121.789 122.627 -0.838 1
1 767 . 16 1 1 A 65 65 ARG H H 65 7.633 7.807 -0.174 1
1 768 . 16 1 1 A 65 65 ARG HA H 65 5.006 4.872 0.134 1
1 776 . 16 1 1 A 65 65 ARG C C 65 172.130 174.020 -1.890 1
1 777 . 16 1 1 A 65 65 ARG CA C 65 53.368 54.209 -0.841 1
1 778 . 16 1 1 A 65 65 ARG CB C 65 28.429 32.462 -4.033 1
1 781 . 16 1 1 A 65 65 ARG N N 65 108.790 113.159 -4.369 1
1 783 . 16 1 1 A 66 66 PRO HA H 66 4.281 4.792 -0.511 1
1 790 . 16 1 1 A 66 66 PRO C C 66 172.940 176.514 -3.574 1
1 791 . 16 1 1 A 66 66 PRO CA C 66 63.677 63.340 0.337 1
1 792 . 16 1 1 A 66 66 PRO CB C 66 32.592 32.446 0.146 1
1 795 . 16 1 1 A 67 67 TRP H H 67 8.716 8.678 0.038 1
1 796 . 16 1 1 A 67 67 TRP HA H 67 5.406 5.329 0.077 1
1 805 . 16 1 1 A 67 67 TRP C C 67 172.919 173.843 -0.924 1
1 806 . 16 1 1 A 67 67 TRP CA C 67 56.035 55.203 0.832 1
1 807 . 16 1 1 A 67 67 TRP CB C 67 34.026 32.048 1.978 1
1 813 . 16 1 1 A 67 67 TRP N N 67 121.250 118.814 2.436 1
1 815 . 16 1 1 A 68 68 CYS H H 68 8.384 9.128 -0.744 1
1 816 . 16 1 1 A 68 68 CYS HA H 68 4.265 4.631 -0.366 1
1 819 . 16 1 1 A 68 68 CYS C C 68 175.079 172.871 2.208 1
1 820 . 16 1 1 A 68 68 CYS CA C 68 55.876 55.535 0.341 1
1 821 . 16 1 1 A 68 68 CYS CB C 68 42.232 45.886 -3.654 1
1 822 . 16 1 1 A 68 68 CYS N N 68 109.624 117.312 -7.688 1
1 823 . 16 1 1 A 69 69 PHE H H 69 8.031 8.220 -0.189 1
1 824 . 16 1 1 A 69 69 PHE HA H 69 5.420 4.857 0.563 1
1 832 . 16 1 1 A 69 69 PHE C C 69 176.814 175.658 1.156 1
1 833 . 16 1 1 A 69 69 PHE CA C 69 59.299 57.767 1.532 1
1 834 . 16 1 1 A 69 69 PHE CB C 69 38.411 39.459 -1.048 1
1 840 . 16 1 1 A 69 69 PHE N N 69 120.433 121.364 -0.931 1
1 841 . 16 1 1 A 70 70 THR H H 70 8.002 8.283 -0.281 1
1 842 . 16 1 1 A 70 70 THR HA H 70 5.408 4.945 0.463 1
1 848 . 16 1 1 A 70 70 THR C C 70 173.518 175.888 -2.370 1
1 849 . 16 1 1 A 70 70 THR CA C 70 61.208 60.014 1.194 1
1 850 . 16 1 1 A 70 70 THR CB C 70 70.441 70.926 -0.485 1
1 852 . 16 1 1 A 70 70 THR N N 70 112.351 114.099 -1.748 1
1 853 . 16 1 1 A 71 71 THR H H 71 8.126 8.493 -0.367 1
1 854 . 16 1 1 A 71 71 THR HA H 71 4.037 4.264 -0.227 1
1 860 . 16 1 1 A 71 71 THR C C 71 174.903 174.406 0.497 1
1 861 . 16 1 1 A 71 71 THR CA C 71 62.413 63.619 -1.206 1
1 862 . 16 1 1 A 71 71 THR CB C 71 69.167 69.168 -0.001 1
1 864 . 16 1 1 A 71 71 THR N N 71 104.863 114.207 -9.344 1
1 865 . 16 1 1 A 72 72 ASP H H 72 9.024 7.802 1.222 1
1 866 . 16 1 1 A 72 72 ASP HA H 72 4.936 4.816 0.120 1
1 869 . 16 1 1 A 72 72 ASP C C 72 176.929 176.367 0.562 1
1 870 . 16 1 1 A 72 72 ASP CA C 72 51.333 52.193 -0.860 1
1 871 . 16 1 1 A 72 72 ASP CB C 72 43.416 42.314 1.102 1
1 872 . 16 1 1 A 72 72 ASP N N 72 126.242 124.086 2.156 1
1 873 . 16 1 1 A 73 73 PRO HA H 73 3.962 4.367 -0.405 1
1 880 . 16 1 1 A 73 73 PRO C C 73 177.045 178.036 -0.991 1
1 881 . 16 1 1 A 73 73 PRO CA C 73 64.632 64.821 -0.189 1
1 882 . 16 1 1 A 73 73 PRO CB C 73 32.460 32.057 0.403 1
1 885 . 16 1 1 A 74 74 ASN H H 74 8.943 8.000 0.943 1
1 886 . 16 1 1 A 74 74 ASN HA H 74 4.854 4.564 0.290 1
1 891 . 16 1 1 A 74 74 ASN C C 74 174.443 175.772 -1.329 1
1 892 . 16 1 1 A 74 74 ASN CA C 74 53.380 55.932 -2.552 1
1 893 . 16 1 1 A 74 74 ASN CB C 74 39.333 39.102 0.231 1
1 894 . 16 1 1 A 74 74 ASN N N 74 114.144 114.808 -0.664 1
1 896 . 16 1 1 A 75 75 LYS H H 75 7.795 7.152 0.643 1
1 897 . 16 1 1 A 75 75 LYS HA H 75 4.571 4.288 0.283 1
1 906 . 16 1 1 A 75 75 LYS C C 75 173.402 176.833 -3.431 1
1 907 . 16 1 1 A 75 75 LYS CA C 75 54.154 55.658 -1.504 1
1 908 . 16 1 1 A 75 75 LYS CB C 75 32.186 32.921 -0.735 1
1 912 . 16 1 1 A 75 75 LYS N N 75 122.835 118.346 4.489 1
1 913 . 16 1 1 A 76 76 ARG H H 76 9.132 8.769 0.363 1
1 914 . 16 1 1 A 76 76 ARG HA H 76 4.555 4.049 0.506 1
1 922 . 16 1 1 A 76 76 ARG C C 76 175.137 175.884 -0.747 1
1 923 . 16 1 1 A 76 76 ARG CA C 76 60.532 57.645 2.887 1
1 924 . 16 1 1 A 76 76 ARG CB C 76 29.307 31.337 -2.030 1
1 927 . 16 1 1 A 76 76 ARG N N 76 129.676 125.454 4.222 1
1 929 . 16 1 1 A 77 77 TRP H H 77 7.559 7.312 0.247 1
1 930 . 16 1 1 A 77 77 TRP HA H 77 5.357 5.021 0.336 1
1 939 . 16 1 1 A 77 77 TRP C C 77 172.940 174.197 -1.257 1
1 940 . 16 1 1 A 77 77 TRP CA C 77 55.044 55.584 -0.540 1
1 941 . 16 1 1 A 77 77 TRP CB C 77 31.951 31.365 0.586 1
1 947 . 16 1 1 A 77 77 TRP N N 77 109.174 113.973 -4.799 1
1 949 . 16 1 1 A 78 78 GLU H H 78 8.638 9.149 -0.511 1
1 950 . 16 1 1 A 78 78 GLU HA H 78 3.671 4.746 -1.075 1
1 955 . 16 1 1 A 78 78 GLU C C 78 174.501 175.795 -1.294 1
1 956 . 16 1 1 A 78 78 GLU CA C 78 55.659 54.520 1.139 1
1 957 . 16 1 1 A 78 78 GLU CB C 78 34.557 34.123 0.434 1
1 959 . 16 1 1 A 78 78 GLU N N 78 118.907 119.275 -0.368 1
1 960 . 16 1 1 A 79 79 TYR H H 79 7.636 8.803 -1.167 1
1 961 . 16 1 1 A 79 79 TYR HA H 79 4.995 4.964 0.031 1
1 968 . 16 1 1 A 79 79 TYR C C 79 175.889 175.766 0.123 1
1 969 . 16 1 1 A 79 79 TYR CA C 79 60.120 58.930 1.190 1
1 970 . 16 1 1 A 79 79 TYR CB C 79 39.789 38.853 0.936 1
1 975 . 16 1 1 A 79 79 TYR N N 79 119.277 120.064 -0.787 1
1 976 . 16 1 1 A 80 80 CYS H H 80 9.398 9.063 0.335 1
1 977 . 16 1 1 A 80 80 CYS HA H 80 4.720 5.395 -0.675 1
1 980 . 16 1 1 A 80 80 CYS C C 80 172.419 171.757 0.662 1
1 981 . 16 1 1 A 80 80 CYS CA C 80 54.618 54.621 -0.003 1
1 982 . 16 1 1 A 80 80 CYS CB C 80 46.736 45.783 0.953 1
1 983 . 16 1 1 A 80 80 CYS N N 80 118.623 121.075 -2.452 1
1 984 . 16 1 1 A 81 81 ASP H H 81 9.729 8.982 0.747 1
1 985 . 16 1 1 A 81 81 ASP HA H 81 4.781 4.909 -0.128 1
1 988 . 16 1 1 A 81 81 ASP C C 81 173.576 175.008 -1.432 1
1 989 . 16 1 1 A 81 81 ASP CA C 81 52.855 53.021 -0.166 1
1 990 . 16 1 1 A 81 81 ASP CB C 81 40.733 41.678 -0.945 1
1 991 . 16 1 1 A 81 81 ASP N N 81 124.777 126.624 -1.847 1
1 992 . 16 1 1 A 82 82 ILE H H 82 7.820 8.278 -0.458 1
1 993 . 16 1 1 A 82 82 ILE HA H 82 4.320 4.560 -0.240 1
1 1003 . 16 1 1 A 82 82 ILE C C 82 173.923 173.577 0.346 1
1 1004 . 16 1 1 A 82 82 ILE CA C 82 56.118 57.248 -1.130 1
1 1005 . 16 1 1 A 82 82 ILE CB C 82 38.166 41.434 -3.268 1
1 1009 . 16 1 1 A 82 82 ILE N N 82 125.281 126.252 -0.971 1
1 1010 . 16 1 1 A 83 83 PRO HA H 83 4.337 4.465 -0.128 1
1 1017 . 16 1 1 A 83 83 PRO C C 83 175.167 175.996 -0.829 1
1 1018 . 16 1 1 A 83 83 PRO CA C 83 62.844 63.145 -0.301 1
1 1019 . 16 1 1 A 83 83 PRO CB C 83 32.450 32.608 -0.158 1
1 1022 . 16 1 1 A 84 84 ARG H H 84 8.656 8.287 0.369 1
1 1023 . 16 1 1 A 84 84 ARG HA H 84 4.658 4.914 -0.256 1
1 1031 . 16 1 1 A 84 84 ARG C C 84 175.137 175.111 0.026 1
1 1032 . 16 1 1 A 84 84 ARG CA C 84 55.617 53.969 1.648 1
1 1033 . 16 1 1 A 84 84 ARG CB C 84 30.482 33.750 -3.268 1
1 1036 . 16 1 1 A 84 84 ARG N N 84 122.316 117.148 5.168 1
1 1038 . 16 1 1 A 85 85 CYS H H 85 8.783 8.636 0.147 1
1 1039 . 16 1 1 A 85 85 CYS HA H 85 4.479 5.000 -0.521 1
1 1042 . 16 1 1 A 85 85 CYS C C 85 174.906 173.731 1.175 1
1 1043 . 16 1 1 A 85 85 CYS CA C 85 54.177 55.292 -1.115 1
1 1044 . 16 1 1 A 85 85 CYS CB C 85 39.574 44.764 -5.190 1
1 1045 . 16 1 1 A 85 85 CYS N N 85 124.002 118.237 5.765 1
1 1046 . 16 1 1 A 86 86 ALA H H 86 8.746 8.844 -0.098 1
1 1047 . 16 1 1 A 86 86 ALA HA H 86 4.255 3.887 0.368 1
1 1051 . 16 1 1 A 86 86 ALA C C 86 176.236 177.319 -1.083 1
1 1052 . 16 1 1 A 86 86 ALA CA C 86 53.067 55.066 -1.999 1
1 1053 . 16 1 1 A 86 86 ALA CB C 86 19.034 17.069 1.965 1
1 1054 . 16 1 1 A 86 86 ALA N N 86 126.444 125.274 1.170 1
1 1064 . 16 2 2 B 2 2 SER HA H 100 4.570 4.873 -0.303 1
1 1067 . 16 2 2 B 2 2 SER C C 100 174.779 173.306 1.473 1
1 1068 . 16 2 2 B 2 2 SER CA C 100 58.624 58.190 0.434 1
1 1069 . 16 2 2 B 2 2 SER CB C 100 63.939 63.425 0.514 1
1 1070 . 16 2 2 B 3 3 VAL H H 101 8.341 8.639 -0.298 1
1 1071 . 16 2 2 B 3 3 VAL HA H 101 4.151 4.383 -0.232 1
1 1079 . 16 2 2 B 3 3 VAL C C 101 176.450 174.867 1.583 1
1 1080 . 16 2 2 B 3 3 VAL CA C 101 62.793 62.195 0.598 1
1 1081 . 16 2 2 B 3 3 VAL CB C 101 32.495 29.992 2.503 1
1 1084 . 16 2 2 B 3 3 VAL N N 101 121.954 127.462 -5.508 1
1 1085 . 16 2 2 B 4 4 GLU H H 102 8.521 8.229 0.292 1
1 1086 . 16 2 2 B 4 4 GLU HA H 102 4.291 5.352 -1.061 1
1 1091 . 16 2 2 B 4 4 GLU C C 102 176.450 174.271 2.179 1
1 1092 . 16 2 2 B 4 4 GLU CA C 102 56.955 55.051 1.904 1
1 1093 . 16 2 2 B 4 4 GLU CB C 102 30.233 31.397 -1.164 1
1 1095 . 16 2 2 B 4 4 GLU N N 102 124.722 126.875 -2.153 1
1 1096 . 16 2 2 B 5 5 LYS H H 103 8.323 8.532 -0.209 1
1 1097 . 16 2 2 B 5 5 LYS HA H 103 4.313 4.553 -0.240 1
1 1106 . 16 2 2 B 5 5 LYS C C 103 176.784 175.855 0.929 1
1 1107 . 16 2 2 B 5 5 LYS CA C 103 56.688 55.364 1.324 1
1 1108 . 16 2 2 B 5 5 LYS CB C 103 30.228 32.708 -2.480 1
1 1112 . 16 2 2 B 5 5 LYS N N 103 122.689 122.519 0.170 1
1 1113 . 16 2 2 B 6 6 LEU H H 104 8.369 8.308 0.061 1
1 1114 . 16 2 2 B 6 6 LEU HA H 104 4.500 3.842 0.658 1
1 1124 . 16 2 2 B 6 6 LEU C C 104 177.632 175.385 2.247 1
1 1125 . 16 2 2 B 6 6 LEU CA C 104 55.480 57.480 -2.000 1
1 1126 . 16 2 2 B 6 6 LEU CB C 104 42.587 39.900 2.687 1
1 1130 . 16 2 2 B 6 6 LEU N N 104 123.373 120.459 2.914 1
1 1131 . 16 2 2 B 7 7 THR HA H 105 4.558 4.864 -0.306 1
1 1137 . 16 2 2 B 7 7 THR C C 105 175.614 174.735 0.879 1
1 1138 . 16 2 2 B 7 7 THR CA C 105 62.000 60.833 1.167 1
1 1139 . 16 2 2 B 7 7 THR CB C 105 70.090 72.559 -2.469 1
1 1141 . 16 2 2 B 8 8 ALA H H 106 8.649 8.988 -0.339 1
1 1142 . 16 2 2 B 8 8 ALA HA H 106 4.458 4.051 0.407 1
1 1146 . 16 2 2 B 8 8 ALA C C 106 179.290 179.365 -0.075 1
1 1147 . 16 2 2 B 8 8 ALA CA C 106 55.552 55.370 0.182 1
1 1148 . 16 2 2 B 8 8 ALA CB C 106 18.704 18.062 0.642 1
1 1149 . 16 2 2 B 8 8 ALA N N 106 124.857 126.571 -1.714 1
1 1150 . 16 2 2 B 9 9 ASP H H 107 8.286 8.285 0.001 1
1 1151 . 16 2 2 B 9 9 ASP HA H 107 4.457 4.428 0.029 1
1 1154 . 16 2 2 B 9 9 ASP C C 107 178.845 178.414 0.431 1
1 1155 . 16 2 2 B 9 9 ASP CA C 107 57.733 56.874 0.859 1
1 1156 . 16 2 2 B 9 9 ASP CB C 107 40.881 40.229 0.652 1
1 1157 . 16 2 2 B 9 9 ASP N N 107 115.621 119.181 -3.560 1
1 1158 . 16 2 2 B 10 10 ALA H H 108 7.887 8.077 -0.190 1
1 1159 . 16 2 2 B 10 10 ALA HA H 108 4.182 4.130 0.052 1
1 1163 . 16 2 2 B 10 10 ALA C C 108 180.906 179.568 1.338 1
1 1164 . 16 2 2 B 10 10 ALA CA C 108 55.014 55.044 -0.030 1
1 1165 . 16 2 2 B 10 10 ALA CB C 108 18.631 18.356 0.275 1
1 1166 . 16 2 2 B 10 10 ALA N N 108 122.756 122.800 -0.044 1
1 1167 . 16 2 2 B 11 11 GLU H H 109 8.390 8.245 0.145 1
1 1168 . 16 2 2 B 11 11 GLU HA H 109 4.256 4.070 0.186 1
1 1173 . 16 2 2 B 11 11 GLU C C 109 178.678 179.014 -0.336 1
1 1174 . 16 2 2 B 11 11 GLU CA C 109 59.105 59.269 -0.164 1
1 1175 . 16 2 2 B 11 11 GLU CB C 109 29.559 29.388 0.171 1
1 1177 . 16 2 2 B 11 11 GLU N N 109 121.999 119.295 2.704 1
1 1178 . 16 2 2 B 12 12 LEU H H 110 8.395 8.645 -0.250 1
1 1179 . 16 2 2 B 12 12 LEU HA H 110 3.808 3.885 -0.077 1
1 1189 . 16 2 2 B 12 12 LEU C C 110 178.288 179.001 -0.713 1
1 1190 . 16 2 2 B 12 12 LEU CA C 110 58.407 57.843 0.564 1
1 1191 . 16 2 2 B 12 12 LEU CB C 110 41.329 41.370 -0.041 1
1 1195 . 16 2 2 B 12 12 LEU N N 110 119.939 120.068 -0.129 1
1 1196 . 16 2 2 B 13 13 GLN H H 111 7.761 8.118 -0.357 1
1 1197 . 16 2 2 B 13 13 GLN HA H 111 4.008 3.961 0.047 1
1 1202 . 16 2 2 B 13 13 GLN C C 111 177.954 178.176 -0.222 1
1 1203 . 16 2 2 B 13 13 GLN CA C 111 58.674 59.249 -0.575 1
1 1204 . 16 2 2 B 13 13 GLN CB C 111 28.513 28.162 0.351 1
1 1206 . 16 2 2 B 13 13 GLN N N 111 117.305 118.566 -1.261 1
1 1207 . 16 2 2 B 14 14 ARG H H 112 7.752 7.672 0.080 1
1 1208 . 16 2 2 B 14 14 ARG HA H 112 4.053 4.192 -0.139 1
1 1216 . 16 2 2 B 14 14 ARG C C 112 179.625 178.668 0.957 1
1 1217 . 16 2 2 B 14 14 ARG CA C 112 59.770 58.463 1.307 1
1 1218 . 16 2 2 B 14 14 ARG CB C 112 29.884 29.927 -0.043 1
1 1221 . 16 2 2 B 14 14 ARG N N 112 121.241 119.906 1.335 1
1 1223 . 16 2 2 B 15 15 LEU H H 113 8.478 8.610 -0.132 1
1 1224 . 16 2 2 B 15 15 LEU HA H 113 3.974 3.946 0.028 1
1 1234 . 16 2 2 B 15 15 LEU C C 113 180.627 179.212 1.415 1
1 1235 . 16 2 2 B 15 15 LEU CA C 113 58.251 57.939 0.312 1
1 1236 . 16 2 2 B 15 15 LEU CB C 113 41.751 41.215 0.536 1
1 1240 . 16 2 2 B 15 15 LEU N N 113 120.898 119.721 1.177 1
1 1241 . 16 2 2 B 16 16 LYS H H 114 8.437 8.192 0.245 1
1 1242 . 16 2 2 B 16 16 LYS HA H 114 3.368 3.832 -0.464 1
1 1251 . 16 2 2 B 16 16 LYS C C 114 178.288 178.874 -0.586 1
1 1252 . 16 2 2 B 16 16 LYS CA C 114 60.242 59.770 0.472 1
1 1253 . 16 2 2 B 16 16 LYS CB C 114 30.249 32.056 -1.807 1
1 1257 . 16 2 2 B 16 16 LYS N N 114 123.214 121.078 2.136 1
1 1258 . 16 2 2 B 17 17 ASN H H 115 8.137 8.641 -0.504 1
1 1259 . 16 2 2 B 17 17 ASN HA H 115 4.270 4.636 -0.366 1
1 1264 . 16 2 2 B 17 17 ASN C C 115 178.288 177.674 0.614 1
1 1265 . 16 2 2 B 17 17 ASN CA C 115 56.318 56.236 0.082 1
1 1266 . 16 2 2 B 17 17 ASN CB C 115 37.573 37.403 0.170 1
1 1267 . 16 2 2 B 17 17 ASN N N 115 117.923 114.961 2.962 1
1 1269 . 16 2 2 B 18 18 GLU H H 116 8.110 8.604 -0.494 1
1 1270 . 16 2 2 B 18 18 GLU HA H 116 4.146 4.044 0.102 1
1 1275 . 16 2 2 B 18 18 GLU C C 116 178.956 178.956 0.000 1
1 1276 . 16 2 2 B 18 18 GLU CA C 116 59.659 59.612 0.047 1
1 1277 . 16 2 2 B 18 18 GLU CB C 116 29.950 28.966 0.984 1
1 1279 . 16 2 2 B 18 18 GLU N N 116 120.249 120.034 0.215 1
1 1280 . 16 2 2 B 19 19 ARG H H 117 7.925 8.182 -0.257 1
1 1281 . 16 2 2 B 19 19 ARG HA H 117 4.057 4.017 0.040 1
1 1289 . 16 2 2 B 19 19 ARG C C 117 180.070 179.126 0.944 1
1 1290 . 16 2 2 B 19 19 ARG CA C 117 59.564 59.296 0.268 1
1 1291 . 16 2 2 B 19 19 ARG CB C 117 29.879 29.852 0.027 1
1 1294 . 16 2 2 B 19 19 ARG N N 117 119.801 118.974 0.827 1
1 1296 . 16 2 2 B 20 20 HIS H H 118 8.316 7.696 0.620 1
1 1297 . 16 2 2 B 20 20 HIS HA H 118 4.574 4.284 0.290 1
1 1304 . 16 2 2 B 20 20 HIS C C 118 176.784 177.754 -0.970 1
1 1305 . 16 2 2 B 20 20 HIS CA C 118 58.397 59.353 -0.956 1
1 1306 . 16 2 2 B 20 20 HIS CB C 118 29.343 29.862 -0.519 1
1 1309 . 16 2 2 B 20 20 HIS N N 118 117.802 118.779 -0.977 1
1 1310 . 16 2 2 B 21 21 GLU H H 119 8.400 8.041 0.359 1
1 1311 . 16 2 2 B 21 21 GLU HA H 119 4.268 4.087 0.181 1
1 1316 . 16 2 2 B 21 21 GLU C C 119 178.566 179.329 -0.763 1
1 1317 . 16 2 2 B 21 21 GLU CA C 119 59.105 59.763 -0.658 1
1 1318 . 16 2 2 B 21 21 GLU CB C 119 29.559 29.547 0.012 1
1 1320 . 16 2 2 B 21 21 GLU N N 119 121.996 120.098 1.898 1
1 1321 . 16 2 2 B 22 22 GLU H H 120 8.285 8.890 -0.605 1
1 1322 . 16 2 2 B 22 22 GLU HA H 120 4.204 4.065 0.139 1
1 1327 . 16 2 2 B 22 22 GLU C C 120 178.288 178.987 -0.699 1
1 1328 . 16 2 2 B 22 22 GLU CA C 120 58.841 59.103 -0.262 1
1 1329 . 16 2 2 B 22 22 GLU CB C 120 29.322 29.128 0.194 1
1 1331 . 16 2 2 B 22 22 GLU N N 120 119.798 120.369 -0.571 1
1 1332 . 16 2 2 B 23 23 ALA H H 121 8.037 8.550 -0.513 1
1 1333 . 16 2 2 B 23 23 ALA HA H 121 4.270 4.201 0.069 1
1 1337 . 16 2 2 B 23 23 ALA C C 121 179.569 179.516 0.053 1
1 1338 . 16 2 2 B 23 23 ALA CA C 121 54.158 54.689 -0.531 1
1 1339 . 16 2 2 B 23 23 ALA CB C 121 18.923 18.519 0.404 1
1 1340 . 16 2 2 B 23 23 ALA N N 121 122.418 122.304 0.114 1
1 1341 . 16 2 2 B 24 24 GLU H H 122 8.039 7.494 0.545 1
1 1342 . 16 2 2 B 24 24 GLU HA H 122 4.291 4.101 0.190 1
1 1347 . 16 2 2 B 24 24 GLU C C 122 177.954 179.089 -1.135 1
1 1348 . 16 2 2 B 24 24 GLU CA C 122 58.023 58.573 -0.550 1
1 1349 . 16 2 2 B 24 24 GLU CB C 122 29.566 29.518 0.048 1
1 1351 . 16 2 2 B 24 24 GLU N N 122 119.517 119.201 0.316 1
1 1352 . 16 2 2 B 25 25 LEU H H 123 7.962 8.976 -1.014 1
1 1353 . 16 2 2 B 25 25 LEU HA H 123 4.226 3.968 0.258 1
1 1363 . 16 2 2 B 25 25 LEU C C 123 179.123 179.169 -0.046 1
1 1364 . 16 2 2 B 25 25 LEU CA C 123 57.213 57.987 -0.774 1
1 1365 . 16 2 2 B 25 25 LEU CB C 123 41.809 41.347 0.462 1
1 1369 . 16 2 2 B 25 25 LEU N N 123 120.617 120.463 0.154 1
1 1370 . 16 2 2 B 26 26 GLU H H 124 8.093 8.450 -0.357 1
1 1371 . 16 2 2 B 26 26 GLU HA H 124 4.140 4.000 0.140 1
1 1376 . 16 2 2 B 26 26 GLU C C 124 177.954 178.478 -0.524 1
1 1377 . 16 2 2 B 26 26 GLU CA C 124 58.095 59.326 -1.231 1
1 1378 . 16 2 2 B 26 26 GLU CB C 124 29.910 29.254 0.656 1
1 1380 . 16 2 2 B 26 26 GLU N N 124 119.473 119.435 0.038 1
1 1381 . 16 2 2 B 27 27 ARG H H 125 7.954 8.074 -0.120 1
1 1382 . 16 2 2 B 27 27 ARG HA H 125 4.210 4.317 -0.107 1
1 1390 . 16 2 2 B 27 27 ARG C C 125 177.619 178.515 -0.896 1
1 1391 . 16 2 2 B 27 27 ARG CA C 125 57.677 58.886 -1.209 1
1 1392 . 16 2 2 B 27 27 ARG CB C 125 30.374 30.098 0.276 1
1 1395 . 16 2 2 B 27 27 ARG N N 125 120.670 120.686 -0.016 1
1 1397 . 16 2 2 B 28 28 LEU H H 126 8.038 8.431 -0.393 1
1 1398 . 16 2 2 B 28 28 LEU HA H 126 4.270 4.197 0.073 1
1 1408 . 16 2 2 B 28 28 LEU C C 126 178.065 178.359 -0.294 1
1 1409 . 16 2 2 B 28 28 LEU CA C 126 56.096 57.652 -1.556 1
1 1410 . 16 2 2 B 28 28 LEU CB C 126 42.252 41.697 0.555 1
1 1414 . 16 2 2 B 28 28 LEU N N 126 120.818 121.337 -0.519 1
1 1415 . 16 2 2 B 29 29 LYS H H 127 7.944 8.011 -0.067 1
1 1416 . 16 2 2 B 29 29 LYS HA H 127 4.270 4.008 0.262 1
1 1425 . 16 2 2 B 29 29 LYS C C 127 176.951 178.725 -1.774 1
1 1426 . 16 2 2 B 29 29 LYS CA C 127 57.168 58.859 -1.691 1
1 1427 . 16 2 2 B 29 29 LYS CB C 127 32.755 31.942 0.813 1
1 1431 . 16 2 2 B 29 29 LYS N N 127 119.960 119.949 0.011 1
1 1432 . 16 2 2 B 30 30 SER H H 128 8.030 7.704 0.326 1
1 1433 . 16 2 2 B 30 30 SER HA H 128 4.466 4.521 -0.055 1
1 1436 . 16 2 2 B 30 30 SER C C 128 176.101 173.979 2.122 1
1 1437 . 16 2 2 B 30 30 SER CA C 128 58.590 59.753 -1.163 1
1 1438 . 16 2 2 B 30 30 SER CB C 128 63.939 63.474 0.465 1
1 1439 . 16 2 2 B 30 30 SER N N 128 115.496 113.625 1.871 1
1 1440 . 16 2 2 B 31 31 GLU H H 129 8.157 7.776 0.381 1
1 1441 . 16 2 2 B 31 31 GLU HA H 129 4.291 4.783 -0.492 1
1 1446 . 16 2 2 B 31 31 GLU C C 129 175.112 174.951 0.161 1
1 1447 . 16 2 2 B 31 31 GLU CA C 129 56.654 55.416 1.238 1
1 1448 . 16 2 2 B 31 31 GLU CB C 129 30.389 31.420 -1.031 1
1 1450 . 16 2 2 B 31 31 GLU N N 129 122.569 117.993 4.576 1
1 1 . 17 1 1 A 2 2 VAL H H 2 7.944 8.721 -0.777 1
1 2 . 17 1 1 A 2 2 VAL HA H 2 4.035 4.451 -0.416 1
1 10 . 17 1 1 A 2 2 VAL C C 2 174.807 175.115 -0.308 1
1 11 . 17 1 1 A 2 2 VAL CA C 2 61.947 60.550 1.397 1
1 12 . 17 1 1 A 2 2 VAL CB C 2 33.175 33.926 -0.751 1
1 15 . 17 1 1 A 2 2 VAL N N 2 123.960 128.549 -4.589 1
1 16 . 17 1 1 A 3 3 GLU H H 3 8.465 8.575 -0.110 1
1 17 . 17 1 1 A 3 3 GLU HA H 3 4.168 4.345 -0.177 1
1 22 . 17 1 1 A 3 3 GLU C C 3 175.888 176.579 -0.691 1
1 23 . 17 1 1 A 3 3 GLU CA C 3 56.487 54.928 1.559 1
1 24 . 17 1 1 A 3 3 GLU CB C 3 30.349 31.528 -1.179 1
1 26 . 17 1 1 A 3 3 GLU N N 3 125.549 126.296 -0.747 1
1 27 . 17 1 1 A 4 4 PHE H H 4 8.330 8.633 -0.303 1
1 28 . 17 1 1 A 4 4 PHE HA H 4 4.651 4.500 0.151 1
1 36 . 17 1 1 A 4 4 PHE C C 4 175.550 175.873 -0.323 1
1 37 . 17 1 1 A 4 4 PHE CA C 4 57.827 58.313 -0.486 1
1 38 . 17 1 1 A 4 4 PHE CB C 4 39.623 38.800 0.823 1
1 44 . 17 1 1 A 4 4 PHE N N 4 121.869 120.062 1.807 1
1 45 . 17 1 1 A 5 5 SER H H 5 8.177 8.979 -0.802 1
1 46 . 17 1 1 A 5 5 SER HA H 5 4.395 4.465 -0.070 1
1 49 . 17 1 1 A 5 5 SER C C 5 173.996 173.658 0.338 1
1 50 . 17 1 1 A 5 5 SER CA C 5 58.045 58.150 -0.105 1
1 51 . 17 1 1 A 5 5 SER CB C 5 64.050 63.712 0.338 1
1 52 . 17 1 1 A 5 5 SER N N 5 117.865 121.254 -3.389 1
1 53 . 17 1 1 A 6 6 GLU H H 6 8.425 8.148 0.277 1
1 54 . 17 1 1 A 6 6 GLU HA H 6 4.290 4.133 0.157 1
1 59 . 17 1 1 A 6 6 GLU C C 6 176.699 176.505 0.194 1
1 60 . 17 1 1 A 6 6 GLU CA C 6 56.479 57.381 -0.902 1
1 61 . 17 1 1 A 6 6 GLU CB C 6 30.715 28.800 1.915 1
1 63 . 17 1 1 A 6 6 GLU N N 6 122.791 119.681 3.110 1
1 64 . 17 1 1 A 7 7 GLU H H 7 8.421 8.263 0.158 1
1 65 . 17 1 1 A 7 7 GLU HA H 7 4.742 4.042 0.700 1
1 70 . 17 1 1 A 7 7 GLU C C 7 175.145 176.728 -1.583 1
1 71 . 17 1 1 A 7 7 GLU CA C 7 55.617 59.163 -3.546 1
1 72 . 17 1 1 A 7 7 GLU CB C 7 29.095 29.806 -0.711 1
1 74 . 17 1 1 A 7 7 GLU N N 7 122.775 117.324 5.451 1
1 75 . 17 1 1 A 8 8 CYS H H 8 7.917 7.680 0.237 1
1 76 . 17 1 1 A 8 8 CYS HA H 8 4.969 4.760 0.209 1
1 79 . 17 1 1 A 8 8 CYS C C 8 171.610 171.701 -0.091 1
1 80 . 17 1 1 A 8 8 CYS CA C 8 53.880 54.744 -0.864 1
1 81 . 17 1 1 A 8 8 CYS CB C 8 43.144 44.808 -1.664 1
1 82 . 17 1 1 A 8 8 CYS N N 8 115.067 113.789 1.278 1
1 83 . 17 1 1 A 9 9 MET H H 9 9.379 9.136 0.243 1
1 84 . 17 1 1 A 9 9 MET HA H 9 5.049 5.193 -0.144 1
1 89 . 17 1 1 A 9 9 MET C C 9 174.038 175.331 -1.293 1
1 90 . 17 1 1 A 9 9 MET CA C 9 53.312 53.655 -0.343 1
1 91 . 17 1 1 A 9 9 MET CB C 9 36.165 33.807 2.358 1
1 93 . 17 1 1 A 9 9 MET N N 9 117.763 119.711 -1.948 1
1 94 . 17 1 1 A 10 10 HIS H H 10 9.610 8.791 0.819 1
1 95 . 17 1 1 A 10 10 HIS HA H 10 4.877 4.690 0.187 1
1 102 . 17 1 1 A 10 10 HIS C C 10 176.698 175.533 1.165 1
1 103 . 17 1 1 A 10 10 HIS CA C 10 55.016 56.242 -1.226 1
1 104 . 17 1 1 A 10 10 HIS CB C 10 31.116 29.716 1.400 1
1 107 . 17 1 1 A 10 10 HIS N N 10 124.293 122.114 2.179 1
1 108 . 17 1 1 A 11 11 GLY H H 11 9.249 8.607 0.642 1
1 109 . 17 1 1 A 11 11 GLY HA2 H 11 4.104 3.757 0.347 1
1 110 . 17 1 1 A 11 11 GLY HA3 H 11 3.843 3.792 0.051 1
1 111 . 17 1 1 A 11 11 GLY C C 11 174.559 174.867 -0.308 1
1 112 . 17 1 1 A 11 11 GLY CA C 11 47.652 47.324 0.328 1
1 113 . 17 1 1 A 11 11 GLY N N 11 115.224 116.503 -1.279 1
1 114 . 17 1 1 A 12 12 SER H H 12 8.999 8.744 0.255 1
1 115 . 17 1 1 A 12 12 SER HA H 12 4.653 4.453 0.200 1
1 118 . 17 1 1 A 12 12 SER C C 12 176.178 175.733 0.445 1
1 119 . 17 1 1 A 12 12 SER CA C 12 57.731 59.547 -1.816 1
1 120 . 17 1 1 A 12 12 SER CB C 12 63.439 64.811 -1.372 1
1 121 . 17 1 1 A 12 12 SER N N 12 121.965 120.304 1.661 1
1 122 . 17 1 1 A 13 13 GLY H H 13 9.022 8.156 0.866 1
1 123 . 17 1 1 A 13 13 GLY HA2 H 13 4.052 3.867 0.185 1
1 124 . 17 1 1 A 13 13 GLY HA3 H 13 3.957 3.930 0.027 1
1 125 . 17 1 1 A 13 13 GLY C C 13 176.178 175.562 0.616 1
1 126 . 17 1 1 A 13 13 GLY CA C 13 47.972 45.379 2.593 1
1 127 . 17 1 1 A 13 13 GLY N N 13 109.294 110.045 -0.751 1
1 128 . 17 1 1 A 14 14 GLU H H 14 9.552 8.172 1.380 1
1 129 . 17 1 1 A 14 14 GLU HA H 14 4.347 4.284 0.063 1
1 134 . 17 1 1 A 14 14 GLU C C 14 177.045 177.185 -0.140 1
1 135 . 17 1 1 A 14 14 GLU CA C 14 60.282 58.942 1.340 1
1 136 . 17 1 1 A 14 14 GLU CB C 14 29.145 29.432 -0.287 1
1 138 . 17 1 1 A 14 14 GLU N N 14 123.736 120.597 3.139 1
1 139 . 17 1 1 A 15 15 ASN H H 15 8.425 7.758 0.667 1
1 140 . 17 1 1 A 15 15 ASN HA H 15 5.030 4.711 0.319 1
1 144 . 17 1 1 A 15 15 ASN C C 15 174.848 174.688 0.160 1
1 145 . 17 1 1 A 15 15 ASN CA C 15 51.725 52.246 -0.521 1
1 146 . 17 1 1 A 15 15 ASN CB C 15 38.404 38.319 0.085 1
1 147 . 17 1 1 A 15 15 ASN N N 15 112.918 116.878 -3.960 1
1 150 . 17 1 1 A 16 16 TYR H H 16 7.622 7.552 0.070 1
1 151 . 17 1 1 A 16 16 TYR HA H 16 4.445 4.672 -0.227 1
1 159 . 17 1 1 A 16 16 TYR C C 16 175.773 175.376 0.397 1
1 160 . 17 1 1 A 16 16 TYR CA C 16 60.125 56.982 3.143 1
1 161 . 17 1 1 A 16 16 TYR CB C 16 38.590 38.298 0.292 1
1 166 . 17 1 1 A 16 16 TYR N N 16 121.437 121.745 -0.308 1
1 167 . 17 1 1 A 17 17 ASP H H 17 8.722 8.774 -0.052 1
1 168 . 17 1 1 A 17 17 ASP HA H 17 4.599 4.706 -0.107 1
1 171 . 17 1 1 A 17 17 ASP C C 17 175.748 176.045 -0.297 1
1 172 . 17 1 1 A 17 17 ASP CA C 17 52.327 52.980 -0.653 1
1 173 . 17 1 1 A 17 17 ASP CB C 17 42.265 40.991 1.274 1
1 174 . 17 1 1 A 17 17 ASP N N 17 130.345 128.680 1.665 1
1 175 . 17 1 1 A 18 18 GLY H H 18 4.504 7.045 -2.541 1
1 176 . 17 1 1 A 18 18 GLY HA2 H 18 4.092 3.376 0.716 1
1 177 . 17 1 1 A 18 18 GLY HA3 H 18 3.786 3.779 0.007 1
1 178 . 17 1 1 A 18 18 GLY C C 18 174.732 173.926 0.806 1
1 179 . 17 1 1 A 18 18 GLY CA C 18 44.739 44.069 0.670 1
1 180 . 17 1 1 A 18 18 GLY N N 18 104.445 108.018 -3.573 1
1 181 . 17 1 1 A 19 19 LYS H H 19 9.272 9.079 0.193 1
1 182 . 17 1 1 A 19 19 LYS HA H 19 3.248 2.982 0.266 1
1 191 . 17 1 1 A 19 19 LYS C C 19 176.409 176.299 0.110 1
1 192 . 17 1 1 A 19 19 LYS CA C 19 55.454 55.493 -0.039 1
1 193 . 17 1 1 A 19 19 LYS CB C 19 32.499 32.347 0.152 1
1 197 . 17 1 1 A 19 19 LYS N N 19 117.569 118.166 -0.597 1
1 198 . 17 1 1 A 20 20 ILE H H 20 7.559 7.167 0.392 1
1 199 . 17 1 1 A 20 20 ILE HA H 20 3.991 3.965 0.026 1
1 209 . 17 1 1 A 20 20 ILE C C 20 176.756 176.911 -0.155 1
1 210 . 17 1 1 A 20 20 ILE CA C 20 64.261 62.425 1.836 1
1 211 . 17 1 1 A 20 20 ILE CB C 20 36.212 38.029 -1.817 1
1 215 . 17 1 1 A 20 20 ILE N N 20 122.778 122.343 0.435 1
1 216 . 17 1 1 A 21 21 SER H H 21 8.817 8.945 -0.128 1
1 217 . 17 1 1 A 21 21 SER HA H 21 5.128 4.983 0.145 1
1 220 . 17 1 1 A 21 21 SER C C 21 172.708 173.757 -1.049 1
1 221 . 17 1 1 A 21 21 SER CA C 21 57.513 57.247 0.266 1
1 222 . 17 1 1 A 21 21 SER CB C 21 65.126 64.790 0.336 1
1 223 . 17 1 1 A 21 21 SER N N 21 122.859 119.546 3.313 1
1 224 . 17 1 1 A 22 22 LYS H H 22 7.150 7.707 -0.557 1
1 225 . 17 1 1 A 22 22 LYS HA H 22 5.530 5.273 0.257 1
1 234 . 17 1 1 A 22 22 LYS C C 22 176.120 176.141 -0.021 1
1 235 . 17 1 1 A 22 22 LYS CA C 22 53.471 54.473 -1.002 1
1 236 . 17 1 1 A 22 22 LYS CB C 22 37.049 35.624 1.425 1
1 240 . 17 1 1 A 22 22 LYS N N 22 119.681 120.863 -1.182 1
1 241 . 17 1 1 A 23 23 THR H H 23 9.134 8.695 0.439 1
1 242 . 17 1 1 A 23 23 THR HA H 23 4.630 4.799 -0.169 1
1 248 . 17 1 1 A 23 23 THR C C 23 177.971 176.156 1.815 1
1 249 . 17 1 1 A 23 23 THR CA C 23 61.032 60.522 0.510 1
1 250 . 17 1 1 A 23 23 THR CB C 23 70.818 71.838 -1.020 1
1 252 . 17 1 1 A 23 23 THR N N 23 111.072 113.231 -2.159 1
1 253 . 17 1 1 A 24 24 MET H H 24 9.383 9.205 0.178 1
1 254 . 17 1 1 A 24 24 MET HA H 24 4.168 4.237 -0.069 1
1 259 . 17 1 1 A 24 24 MET C C 24 176.122 176.526 -0.404 1
1 260 . 17 1 1 A 24 24 MET CA C 24 58.704 57.422 1.282 1
1 261 . 17 1 1 A 24 24 MET CB C 24 32.546 32.569 -0.023 1
1 263 . 17 1 1 A 24 24 MET N N 24 118.120 119.746 -1.626 1
1 264 . 17 1 1 A 25 25 SER H H 25 7.763 7.846 -0.083 1
1 265 . 17 1 1 A 25 25 SER HA H 25 4.575 4.477 0.098 1
1 269 . 17 1 1 A 25 25 SER C C 25 174.848 175.355 -0.507 1
1 270 . 17 1 1 A 25 25 SER CA C 25 58.895 58.470 0.425 1
1 271 . 17 1 1 A 25 25 SER CB C 25 62.844 63.938 -1.094 1
1 272 . 17 1 1 A 25 25 SER N N 25 113.626 111.213 2.413 1
1 273 . 17 1 1 A 26 26 GLY H H 26 8.136 8.236 -0.100 1
1 274 . 17 1 1 A 26 26 GLY HA2 H 26 4.305 3.975 0.330 1
1 275 . 17 1 1 A 26 26 GLY HA3 H 26 3.503 3.982 -0.479 1
1 276 . 17 1 1 A 26 26 GLY C C 26 174.212 174.609 -0.397 1
1 277 . 17 1 1 A 26 26 GLY CA C 26 45.125 46.197 -1.072 1
1 278 . 17 1 1 A 26 26 GLY N N 26 110.819 111.218 -0.399 1
1 279 . 17 1 1 A 27 27 LEU H H 27 7.183 8.316 -1.133 1
1 280 . 17 1 1 A 27 27 LEU HA H 27 4.319 4.473 -0.154 1
1 290 . 17 1 1 A 27 27 LEU C C 27 176.178 176.441 -0.263 1
1 291 . 17 1 1 A 27 27 LEU CA C 27 54.211 54.303 -0.092 1
1 292 . 17 1 1 A 27 27 LEU CB C 27 42.260 42.585 -0.325 1
1 296 . 17 1 1 A 27 27 LEU N N 27 120.765 122.287 -1.522 1
1 297 . 17 1 1 A 28 28 GLU H H 28 8.699 8.629 0.070 1
1 298 . 17 1 1 A 28 28 GLU HA H 28 4.506 4.421 0.085 1
1 303 . 17 1 1 A 28 28 GLU C C 28 177.161 176.612 0.549 1
1 304 . 17 1 1 A 28 28 GLU CA C 28 56.451 55.860 0.591 1
1 305 . 17 1 1 A 28 28 GLU CB C 28 30.018 30.649 -0.631 1
1 307 . 17 1 1 A 28 28 GLU N N 28 122.582 120.622 1.960 1
1 308 . 17 1 1 A 29 29 CYS H H 29 8.624 8.915 -0.291 1
1 309 . 17 1 1 A 29 29 CYS HA H 29 4.812 4.881 -0.069 1
1 312 . 17 1 1 A 29 29 CYS C C 29 177.045 173.259 3.786 1
1 313 . 17 1 1 A 29 29 CYS CA C 29 55.189 56.899 -1.710 1
1 314 . 17 1 1 A 29 29 CYS CB C 29 37.938 42.749 -4.811 1
1 315 . 17 1 1 A 29 29 CYS N N 29 125.564 125.058 0.506 1
1 316 . 17 1 1 A 30 30 GLN H H 30 9.664 8.881 0.783 1
1 317 . 17 1 1 A 30 30 GLN HA H 30 3.841 4.469 -0.628 1
1 324 . 17 1 1 A 30 30 GLN C C 30 175.310 176.044 -0.734 1
1 325 . 17 1 1 A 30 30 GLN CA C 30 55.501 54.994 0.507 1
1 326 . 17 1 1 A 30 30 GLN CB C 30 29.943 30.101 -0.158 1
1 328 . 17 1 1 A 30 30 GLN N N 30 127.687 125.101 2.586 1
1 330 . 17 1 1 A 31 31 ALA H H 31 8.728 8.825 -0.097 1
1 331 . 17 1 1 A 31 31 ALA HA H 31 4.052 4.627 -0.575 1
1 335 . 17 1 1 A 31 31 ALA C C 31 178.722 178.681 0.041 1
1 336 . 17 1 1 A 31 31 ALA CA C 31 52.327 52.895 -0.568 1
1 337 . 17 1 1 A 31 31 ALA CB C 31 18.034 19.547 -1.513 1
1 338 . 17 1 1 A 31 31 ALA N N 31 128.680 128.639 0.041 1
1 339 . 17 1 1 A 32 32 TRP H H 32 7.703 8.591 -0.888 1
1 340 . 17 1 1 A 32 32 TRP HA H 32 4.244 4.468 -0.224 1
1 349 . 17 1 1 A 32 32 TRP C C 32 177.566 177.858 -0.292 1
1 350 . 17 1 1 A 32 32 TRP CA C 32 59.531 59.720 -0.189 1
1 351 . 17 1 1 A 32 32 TRP CB C 32 29.953 29.336 0.617 1
1 357 . 17 1 1 A 32 32 TRP N N 32 123.505 124.377 -0.872 1
1 359 . 17 1 1 A 33 33 ASP H H 33 8.797 8.475 0.322 1
1 360 . 17 1 1 A 33 33 ASP HA H 33 4.634 4.766 -0.132 1
1 363 . 17 1 1 A 33 33 ASP C C 33 175.831 175.590 0.241 1
1 364 . 17 1 1 A 33 33 ASP CA C 33 54.398 54.469 -0.071 1
1 365 . 17 1 1 A 33 33 ASP CB C 33 40.707 40.288 0.419 1
1 366 . 17 1 1 A 33 33 ASP N N 33 113.424 116.552 -3.128 1
1 367 . 17 1 1 A 34 34 SER H H 34 8.039 7.997 0.042 1
1 368 . 17 1 1 A 34 34 SER HA H 34 4.737 4.819 -0.082 1
1 372 . 17 1 1 A 34 34 SER C C 34 174.096 174.415 -0.319 1
1 373 . 17 1 1 A 34 34 SER CA C 34 56.454 56.332 0.122 1
1 374 . 17 1 1 A 34 34 SER CB C 34 65.137 64.649 0.488 1
1 375 . 17 1 1 A 34 34 SER N N 34 114.429 115.509 -1.080 1
1 376 . 17 1 1 A 35 35 GLN H H 35 8.387 8.586 -0.199 1
1 377 . 17 1 1 A 35 35 GLN HA H 35 4.426 4.471 -0.045 1
1 384 . 17 1 1 A 35 35 GLN C C 35 173.518 174.921 -1.403 1
1 385 . 17 1 1 A 35 35 GLN CA C 35 54.020 56.004 -1.984 1
1 386 . 17 1 1 A 35 35 GLN CB C 35 28.804 29.171 -0.367 1
1 388 . 17 1 1 A 35 35 GLN N N 35 123.700 125.558 -1.858 1
1 390 . 17 1 1 A 36 36 SER H H 36 7.746 7.329 0.417 1
1 391 . 17 1 1 A 36 36 SER HA H 36 4.466 4.792 -0.326 1
1 395 . 17 1 1 A 36 36 SER C C 36 172.824 174.429 -1.605 1
1 396 . 17 1 1 A 36 36 SER CA C 36 54.749 55.778 -1.029 1
1 397 . 17 1 1 A 36 36 SER CB C 36 65.162 64.398 0.764 1
1 398 . 17 1 1 A 36 36 SER N N 36 112.974 116.320 -3.346 1
1 399 . 17 1 1 A 37 37 PRO HA H 37 4.382 4.616 -0.234 1
1 406 . 17 1 1 A 37 37 PRO C C 37 176.351 176.147 0.204 1
1 407 . 17 1 1 A 37 37 PRO CA C 37 64.110 63.798 0.312 1
1 408 . 17 1 1 A 37 37 PRO CB C 37 33.670 31.969 1.701 1
1 411 . 17 1 1 A 38 38 HIS H H 38 8.764 7.994 0.770 1
1 412 . 17 1 1 A 38 38 HIS HA H 38 4.897 5.007 -0.110 1
1 417 . 17 1 1 A 38 38 HIS C C 38 178.144 173.982 4.162 1
1 418 . 17 1 1 A 38 38 HIS CA C 38 55.580 55.492 0.088 1
1 419 . 17 1 1 A 38 38 HIS CB C 38 30.421 32.461 -2.040 1
1 422 . 17 1 1 A 38 38 HIS N N 38 122.516 119.025 3.491 1
1 423 . 17 1 1 A 39 39 ALA H H 39 8.673 8.408 0.265 1
1 424 . 17 1 1 A 39 39 ALA HA H 39 4.493 4.701 -0.208 1
1 428 . 17 1 1 A 39 39 ALA C C 39 178.375 176.138 2.237 1
1 429 . 17 1 1 A 39 39 ALA CA C 39 51.440 51.187 0.253 1
1 430 . 17 1 1 A 39 39 ALA CB C 39 18.980 20.280 -1.300 1
1 431 . 17 1 1 A 39 39 ALA N N 39 128.546 127.890 0.656 1
1 432 . 17 1 1 A 40 40 HIS H H 40 9.291 8.471 0.820 1
1 433 . 17 1 1 A 40 40 HIS HA H 40 4.734 4.972 -0.238 1
1 439 . 17 1 1 A 40 40 HIS C C 40 175.484 174.820 0.664 1
1 440 . 17 1 1 A 40 40 HIS CA C 40 56.141 54.199 1.942 1
1 441 . 17 1 1 A 40 40 HIS CB C 40 35.545 30.688 4.857 1
1 444 . 17 1 1 A 40 40 HIS N N 40 120.682 114.212 6.470 1
1 445 . 17 1 1 A 41 41 GLY H H 41 9.080 9.116 -0.036 1
1 446 . 17 1 1 A 41 41 GLY HA2 H 41 4.602 3.724 0.878 1
1 447 . 17 1 1 A 41 41 GLY HA3 H 41 3.671 3.784 -0.113 1
1 448 . 17 1 1 A 41 41 GLY C C 41 176.409 173.728 2.681 1
1 449 . 17 1 1 A 41 41 GLY CA C 41 44.724 45.808 -1.084 1
1 450 . 17 1 1 A 41 41 GLY N N 41 106.159 108.278 -2.119 1
1 451 . 17 1 1 A 42 42 TYR H H 42 11.980 8.235 3.745 1
1 452 . 17 1 1 A 42 42 TYR HA H 42 4.616 5.325 -0.709 1
1 459 . 17 1 1 A 42 42 TYR C C 42 174.385 175.480 -1.095 1
1 460 . 17 1 1 A 42 42 TYR CA C 42 57.579 57.072 0.507 1
1 461 . 17 1 1 A 42 42 TYR CB C 42 36.198 37.100 -0.902 1
1 466 . 17 1 1 A 42 42 TYR N N 42 133.554 119.314 14.240 1
1 467 . 17 1 1 A 43 43 ILE H H 43 7.120 8.119 -0.999 1
1 468 . 17 1 1 A 43 43 ILE HA H 43 4.630 4.274 0.356 1
1 478 . 17 1 1 A 43 43 ILE C C 43 177.219 176.248 0.971 1
1 479 . 17 1 1 A 43 43 ILE CA C 43 58.201 59.635 -1.434 1
1 480 . 17 1 1 A 43 43 ILE CB C 43 38.761 38.074 0.687 1
1 484 . 17 1 1 A 43 43 ILE N N 43 118.881 124.876 -5.995 1
1 485 . 17 1 1 A 44 44 PRO HA H 44 4.193 4.437 -0.244 1
1 492 . 17 1 1 A 44 44 PRO C C 44 178.780 177.772 1.008 1
1 493 . 17 1 1 A 44 44 PRO CA C 44 67.061 64.510 2.551 1
1 494 . 17 1 1 A 44 44 PRO CB C 44 32.267 32.015 0.252 1
1 497 . 17 1 1 A 45 45 SER H H 45 7.984 8.137 -0.153 1
1 498 . 17 1 1 A 45 45 SER HA H 45 4.087 4.308 -0.221 1
1 502 . 17 1 1 A 45 45 SER C C 45 176.004 175.592 0.412 1
1 503 . 17 1 1 A 45 45 SER CA C 45 60.161 60.503 -0.342 1
1 504 . 17 1 1 A 45 45 SER CB C 45 62.260 63.216 -0.956 1
1 505 . 17 1 1 A 45 45 SER N N 45 107.865 112.504 -4.639 1
1 506 . 17 1 1 A 46 46 LYS H H 46 7.769 7.553 0.216 1
1 507 . 17 1 1 A 46 46 LYS HA H 46 3.965 4.306 -0.341 1
1 516 . 17 1 1 A 46 46 LYS C C 46 175.831 176.213 -0.382 1
1 517 . 17 1 1 A 46 46 LYS CA C 46 57.349 56.709 0.640 1
1 518 . 17 1 1 A 46 46 LYS CB C 46 33.283 32.931 0.352 1
1 522 . 17 1 1 A 46 46 LYS N N 46 121.944 115.916 6.028 1
1 523 . 17 1 1 A 47 47 PHE H H 47 7.018 7.259 -0.241 1
1 524 . 17 1 1 A 47 47 PHE HA H 47 5.244 5.082 0.162 1
1 532 . 17 1 1 A 47 47 PHE C C 47 174.790 174.597 0.193 1
1 533 . 17 1 1 A 47 47 PHE CA C 47 54.142 54.891 -0.749 1
1 534 . 17 1 1 A 47 47 PHE CB C 47 39.434 39.142 0.292 1
1 539 . 17 1 1 A 47 47 PHE N N 47 115.480 119.252 -3.772 1
1 540 . 17 1 1 A 48 48 PRO HA H 48 4.472 4.409 0.063 1
1 547 . 17 1 1 A 48 48 PRO C C 48 177.681 178.254 -0.573 1
1 548 . 17 1 1 A 48 48 PRO CA C 48 65.513 65.109 0.404 1
1 549 . 17 1 1 A 48 48 PRO CB C 48 31.712 31.575 0.137 1
1 552 . 17 1 1 A 49 49 ASN H H 49 8.559 8.997 -0.438 1
1 553 . 17 1 1 A 49 49 ASN HA H 49 4.818 4.577 0.241 1
1 558 . 17 1 1 A 49 49 ASN C C 49 175.715 175.813 -0.098 1
1 559 . 17 1 1 A 49 49 ASN CA C 49 53.372 54.034 -0.662 1
1 560 . 17 1 1 A 49 49 ASN CB C 49 37.351 37.135 0.216 1
1 561 . 17 1 1 A 49 49 ASN N N 49 114.836 115.115 -0.279 1
1 563 . 17 1 1 A 50 50 LYS H H 50 7.627 7.546 0.081 1
1 564 . 17 1 1 A 50 50 LYS HA H 50 4.480 4.270 0.210 1
1 573 . 17 1 1 A 50 50 LYS C C 50 175.079 175.312 -0.233 1
1 574 . 17 1 1 A 50 50 LYS CA C 50 53.336 55.826 -2.490 1
1 575 . 17 1 1 A 50 50 LYS CB C 50 31.284 32.281 -0.997 1
1 579 . 17 1 1 A 50 50 LYS N N 50 116.224 117.396 -1.172 1
1 580 . 17 1 1 A 51 51 ASN H H 51 7.945 7.729 0.216 1
1 581 . 17 1 1 A 51 51 ASN HA H 51 4.304 4.205 0.099 1
1 586 . 17 1 1 A 51 51 ASN C C 51 175.195 174.295 0.900 1
1 587 . 17 1 1 A 51 51 ASN CA C 51 54.089 54.289 -0.200 1
1 588 . 17 1 1 A 51 51 ASN CB C 51 36.504 36.925 -0.421 1
1 589 . 17 1 1 A 51 51 ASN N N 51 115.331 115.413 -0.082 1
1 591 . 17 1 1 A 52 52 LEU H H 52 8.803 7.902 0.901 1
1 592 . 17 1 1 A 52 52 LEU HA H 52 3.412 3.531 -0.119 1
1 602 . 17 1 1 A 52 52 LEU C C 52 174.674 176.128 -1.454 1
1 603 . 17 1 1 A 52 52 LEU CA C 52 53.983 54.299 -0.316 1
1 604 . 17 1 1 A 52 52 LEU CB C 52 42.471 39.933 2.538 1
1 608 . 17 1 1 A 52 52 LEU N N 52 121.765 119.615 2.150 1
1 609 . 17 1 1 A 53 53 LYS H H 53 7.099 8.084 -0.985 1
1 610 . 17 1 1 A 53 53 LYS HA H 53 4.324 4.740 -0.416 1
1 619 . 17 1 1 A 53 53 LYS C C 53 173.460 176.495 -3.035 1
1 620 . 17 1 1 A 53 53 LYS CA C 53 54.843 54.277 0.566 1
1 621 . 17 1 1 A 53 53 LYS CB C 53 36.395 35.373 1.022 1
1 625 . 17 1 1 A 53 53 LYS N N 53 124.403 123.640 0.763 1
1 626 . 17 1 1 A 54 54 LYS H H 54 8.805 8.837 -0.032 1
1 627 . 17 1 1 A 54 54 LYS HA H 54 3.692 3.839 -0.147 1
1 636 . 17 1 1 A 54 54 LYS C C 54 173.344 176.184 -2.840 1
1 637 . 17 1 1 A 54 54 LYS CA C 54 56.366 58.067 -1.701 1
1 638 . 17 1 1 A 54 54 LYS CB C 54 29.830 30.550 -0.720 1
1 642 . 17 1 1 A 54 54 LYS N N 54 118.125 117.535 0.590 1
1 643 . 17 1 1 A 55 55 ASN H H 55 7.567 8.318 -0.751 1
1 644 . 17 1 1 A 55 55 ASN HA H 55 4.643 4.887 -0.244 1
1 649 . 17 1 1 A 55 55 ASN C C 55 172.188 175.082 -2.894 1
1 650 . 17 1 1 A 55 55 ASN CA C 55 51.091 51.941 -0.850 1
1 651 . 17 1 1 A 55 55 ASN CB C 55 37.234 38.669 -1.435 1
1 652 . 17 1 1 A 55 55 ASN N N 55 123.893 122.132 1.761 1
1 654 . 17 1 1 A 56 56 TYR H H 56 7.584 7.881 -0.297 1
1 655 . 17 1 1 A 56 56 TYR HA H 56 4.892 4.965 -0.073 1
1 662 . 17 1 1 A 56 56 TYR C C 56 177.276 176.174 1.102 1
1 663 . 17 1 1 A 56 56 TYR CA C 56 54.447 57.981 -3.534 1
1 664 . 17 1 1 A 56 56 TYR CB C 56 38.633 39.551 -0.918 1
1 669 . 17 1 1 A 56 56 TYR N N 56 115.237 120.274 -5.037 1
1 670 . 17 1 1 A 57 57 CYS H H 57 9.149 9.391 -0.242 1
1 671 . 17 1 1 A 57 57 CYS HA H 57 4.398 4.764 -0.366 1
1 674 . 17 1 1 A 57 57 CYS C C 57 175.600 174.502 1.098 1
1 675 . 17 1 1 A 57 57 CYS CA C 57 59.824 57.022 2.802 1
1 676 . 17 1 1 A 57 57 CYS CB C 57 48.356 42.296 6.060 1
1 677 . 17 1 1 A 57 57 CYS N N 57 119.273 122.049 -2.776 1
1 678 . 17 1 1 A 58 58 ARG H H 58 9.138 8.470 0.668 1
1 679 . 17 1 1 A 58 58 ARG HA H 58 4.918 5.125 -0.207 1
1 687 . 17 1 1 A 58 58 ARG C C 58 173.576 174.350 -0.774 1
1 688 . 17 1 1 A 58 58 ARG CA C 58 53.187 54.326 -1.139 1
1 689 . 17 1 1 A 58 58 ARG CB C 58 29.412 34.561 -5.149 1
1 692 . 17 1 1 A 58 58 ARG N N 58 122.881 124.861 -1.980 1
1 694 . 17 1 1 A 59 59 ASN H H 59 8.868 8.585 0.283 1
1 695 . 17 1 1 A 59 59 ASN HA H 59 5.513 4.969 0.544 1
1 700 . 17 1 1 A 59 59 ASN C C 59 172.824 174.163 -1.339 1
1 701 . 17 1 1 A 59 59 ASN CA C 59 53.176 50.127 3.049 1
1 702 . 17 1 1 A 59 59 ASN CB C 59 37.237 39.106 -1.869 1
1 703 . 17 1 1 A 59 59 ASN N N 59 113.603 119.293 -5.690 1
1 705 . 17 1 1 A 60 60 PRO HA H 60 4.712 4.317 0.395 1
1 712 . 17 1 1 A 60 60 PRO C C 60 175.715 177.606 -1.891 1
1 713 . 17 1 1 A 60 60 PRO CA C 60 63.643 64.124 -0.481 1
1 714 . 17 1 1 A 60 60 PRO CB C 60 32.507 31.909 0.598 1
1 717 . 17 1 1 A 61 61 ASP H H 61 8.883 7.955 0.928 1
1 718 . 17 1 1 A 61 61 ASP HA H 61 4.495 4.552 -0.057 1
1 721 . 17 1 1 A 61 61 ASP C C 61 174.848 176.072 -1.224 1
1 722 . 17 1 1 A 61 61 ASP CA C 61 51.953 55.721 -3.768 1
1 723 . 17 1 1 A 61 61 ASP CB C 61 42.092 41.795 0.297 1
1 724 . 17 1 1 A 61 61 ASP N N 61 118.660 116.802 1.858 1
1 725 . 17 1 1 A 62 62 ARG H H 62 8.395 7.710 0.685 1
1 726 . 17 1 1 A 62 62 ARG HA H 62 3.789 4.375 -0.586 1
1 734 . 17 1 1 A 62 62 ARG C C 62 176.236 174.536 1.700 1
1 735 . 17 1 1 A 62 62 ARG CA C 62 57.318 57.024 0.294 1
1 736 . 17 1 1 A 62 62 ARG CB C 62 26.990 27.470 -0.480 1
1 739 . 17 1 1 A 62 62 ARG N N 62 116.013 115.261 0.752 1
1 741 . 17 1 1 A 63 63 ASP H H 63 9.735 8.021 1.714 1
1 742 . 17 1 1 A 63 63 ASP HA H 63 4.769 4.735 0.034 1
1 745 . 17 1 1 A 63 63 ASP C C 63 177.334 176.440 0.894 1
1 746 . 17 1 1 A 63 63 ASP CA C 63 51.973 52.584 -0.611 1
1 747 . 17 1 1 A 63 63 ASP CB C 63 42.698 42.888 -0.190 1
1 748 . 17 1 1 A 63 63 ASP N N 63 121.799 118.037 3.762 1
1 749 . 17 1 1 A 64 64 LEU H H 64 10.919 8.680 2.239 1
1 750 . 17 1 1 A 64 64 LEU HA H 64 3.995 4.359 -0.364 1
1 760 . 17 1 1 A 64 64 LEU C C 64 176.467 176.873 -0.406 1
1 761 . 17 1 1 A 64 64 LEU CA C 64 57.772 56.340 1.432 1
1 762 . 17 1 1 A 64 64 LEU CB C 64 43.630 42.847 0.783 1
1 766 . 17 1 1 A 64 64 LEU N N 64 121.789 121.901 -0.112 1
1 767 . 17 1 1 A 65 65 ARG H H 65 7.633 7.886 -0.253 1
1 768 . 17 1 1 A 65 65 ARG HA H 65 5.006 4.920 0.086 1
1 776 . 17 1 1 A 65 65 ARG C C 65 172.130 174.064 -1.934 1
1 777 . 17 1 1 A 65 65 ARG CA C 65 53.368 53.330 0.038 1
1 778 . 17 1 1 A 65 65 ARG CB C 65 28.429 33.720 -5.291 1
1 781 . 17 1 1 A 65 65 ARG N N 65 108.790 117.470 -8.680 1
1 783 . 17 1 1 A 66 66 PRO HA H 66 4.281 4.604 -0.323 1
1 790 . 17 1 1 A 66 66 PRO C C 66 172.940 175.949 -3.009 1
1 791 . 17 1 1 A 66 66 PRO CA C 66 63.677 63.055 0.622 1
1 792 . 17 1 1 A 66 66 PRO CB C 66 32.592 32.848 -0.256 1
1 795 . 17 1 1 A 67 67 TRP H H 67 8.716 8.240 0.476 1
1 796 . 17 1 1 A 67 67 TRP HA H 67 5.406 5.203 0.203 1
1 805 . 17 1 1 A 67 67 TRP C C 67 172.919 173.542 -0.623 1
1 806 . 17 1 1 A 67 67 TRP CA C 67 56.035 55.546 0.489 1
1 807 . 17 1 1 A 67 67 TRP CB C 67 34.026 31.393 2.633 1
1 813 . 17 1 1 A 67 67 TRP N N 67 121.250 117.731 3.519 1
1 815 . 17 1 1 A 68 68 CYS H H 68 8.384 9.090 -0.706 1
1 816 . 17 1 1 A 68 68 CYS HA H 68 4.265 4.730 -0.465 1
1 819 . 17 1 1 A 68 68 CYS C C 68 175.079 172.908 2.171 1
1 820 . 17 1 1 A 68 68 CYS CA C 68 55.876 55.418 0.458 1
1 821 . 17 1 1 A 68 68 CYS CB C 68 42.232 45.993 -3.761 1
1 822 . 17 1 1 A 68 68 CYS N N 68 109.624 117.396 -7.772 1
1 823 . 17 1 1 A 69 69 PHE H H 69 8.031 8.370 -0.339 1
1 824 . 17 1 1 A 69 69 PHE HA H 69 5.420 4.948 0.472 1
1 832 . 17 1 1 A 69 69 PHE C C 69 176.814 175.778 1.036 1
1 833 . 17 1 1 A 69 69 PHE CA C 69 59.299 57.995 1.304 1
1 834 . 17 1 1 A 69 69 PHE CB C 69 38.411 39.520 -1.109 1
1 840 . 17 1 1 A 69 69 PHE N N 69 120.433 121.447 -1.014 1
1 841 . 17 1 1 A 70 70 THR H H 70 8.002 8.585 -0.583 1
1 842 . 17 1 1 A 70 70 THR HA H 70 5.408 4.905 0.503 1
1 848 . 17 1 1 A 70 70 THR C C 70 173.518 175.883 -2.365 1
1 849 . 17 1 1 A 70 70 THR CA C 70 61.208 60.187 1.021 1
1 850 . 17 1 1 A 70 70 THR CB C 70 70.441 70.747 -0.306 1
1 852 . 17 1 1 A 70 70 THR N N 70 112.351 114.376 -2.025 1
1 853 . 17 1 1 A 71 71 THR H H 71 8.126 8.363 -0.237 1
1 854 . 17 1 1 A 71 71 THR HA H 71 4.037 4.177 -0.140 1
1 860 . 17 1 1 A 71 71 THR C C 71 174.903 174.328 0.575 1
1 861 . 17 1 1 A 71 71 THR CA C 71 62.413 63.574 -1.161 1
1 862 . 17 1 1 A 71 71 THR CB C 71 69.167 68.935 0.232 1
1 864 . 17 1 1 A 71 71 THR N N 71 104.863 114.434 -9.571 1
1 865 . 17 1 1 A 72 72 ASP H H 72 9.024 7.718 1.306 1
1 866 . 17 1 1 A 72 72 ASP HA H 72 4.936 4.753 0.183 1
1 869 . 17 1 1 A 72 72 ASP C C 72 176.929 175.767 1.162 1
1 870 . 17 1 1 A 72 72 ASP CA C 72 51.333 51.932 -0.599 1
1 871 . 17 1 1 A 72 72 ASP CB C 72 43.416 42.778 0.638 1
1 872 . 17 1 1 A 72 72 ASP N N 72 126.242 124.137 2.105 1
1 873 . 17 1 1 A 73 73 PRO HA H 73 3.962 4.352 -0.390 1
1 880 . 17 1 1 A 73 73 PRO C C 73 177.045 177.869 -0.824 1
1 881 . 17 1 1 A 73 73 PRO CA C 73 64.632 64.554 0.078 1
1 882 . 17 1 1 A 73 73 PRO CB C 73 32.460 32.087 0.373 1
1 885 . 17 1 1 A 74 74 ASN H H 74 8.943 7.991 0.952 1
1 886 . 17 1 1 A 74 74 ASN HA H 74 4.854 4.567 0.287 1
1 891 . 17 1 1 A 74 74 ASN C C 74 174.443 175.965 -1.522 1
1 892 . 17 1 1 A 74 74 ASN CA C 74 53.380 55.944 -2.564 1
1 893 . 17 1 1 A 74 74 ASN CB C 74 39.333 38.868 0.465 1
1 894 . 17 1 1 A 74 74 ASN N N 74 114.144 114.702 -0.558 1
1 896 . 17 1 1 A 75 75 LYS H H 75 7.795 7.646 0.149 1
1 897 . 17 1 1 A 75 75 LYS HA H 75 4.571 4.334 0.237 1
1 906 . 17 1 1 A 75 75 LYS C C 75 173.402 176.098 -2.696 1
1 907 . 17 1 1 A 75 75 LYS CA C 75 54.154 55.846 -1.692 1
1 908 . 17 1 1 A 75 75 LYS CB C 75 32.186 33.458 -1.272 1
1 912 . 17 1 1 A 75 75 LYS N N 75 122.835 118.869 3.966 1
1 913 . 17 1 1 A 76 76 ARG H H 76 9.132 8.911 0.221 1
1 914 . 17 1 1 A 76 76 ARG HA H 76 4.555 4.698 -0.143 1
1 922 . 17 1 1 A 76 76 ARG C C 76 175.137 176.337 -1.200 1
1 923 . 17 1 1 A 76 76 ARG CA C 76 60.532 57.895 2.637 1
1 924 . 17 1 1 A 76 76 ARG CB C 76 29.307 31.671 -2.364 1
1 927 . 17 1 1 A 76 76 ARG N N 76 129.676 126.583 3.093 1
1 929 . 17 1 1 A 77 77 TRP H H 77 7.559 7.548 0.011 1
1 930 . 17 1 1 A 77 77 TRP HA H 77 5.357 5.186 0.171 1
1 939 . 17 1 1 A 77 77 TRP C C 77 172.940 174.084 -1.144 1
1 940 . 17 1 1 A 77 77 TRP CA C 77 55.044 55.710 -0.666 1
1 941 . 17 1 1 A 77 77 TRP CB C 77 31.951 31.332 0.619 1
1 947 . 17 1 1 A 77 77 TRP N N 77 109.174 114.135 -4.961 1
1 949 . 17 1 1 A 78 78 GLU H H 78 8.638 9.153 -0.515 1
1 950 . 17 1 1 A 78 78 GLU HA H 78 3.671 4.813 -1.142 1
1 955 . 17 1 1 A 78 78 GLU C C 78 174.501 175.808 -1.307 1
1 956 . 17 1 1 A 78 78 GLU CA C 78 55.659 54.846 0.813 1
1 957 . 17 1 1 A 78 78 GLU CB C 78 34.557 34.002 0.555 1
1 959 . 17 1 1 A 78 78 GLU N N 78 118.907 119.283 -0.376 1
1 960 . 17 1 1 A 79 79 TYR H H 79 7.636 8.918 -1.282 1
1 961 . 17 1 1 A 79 79 TYR HA H 79 4.995 4.974 0.021 1
1 968 . 17 1 1 A 79 79 TYR C C 79 175.889 176.219 -0.330 1
1 969 . 17 1 1 A 79 79 TYR CA C 79 60.120 59.056 1.064 1
1 970 . 17 1 1 A 79 79 TYR CB C 79 39.789 38.977 0.812 1
1 975 . 17 1 1 A 79 79 TYR N N 79 119.277 120.557 -1.280 1
1 976 . 17 1 1 A 80 80 CYS H H 80 9.398 8.983 0.415 1
1 977 . 17 1 1 A 80 80 CYS HA H 80 4.720 5.423 -0.703 1
1 980 . 17 1 1 A 80 80 CYS C C 80 172.419 171.831 0.588 1
1 981 . 17 1 1 A 80 80 CYS CA C 80 54.618 54.265 0.353 1
1 982 . 17 1 1 A 80 80 CYS CB C 80 46.736 43.672 3.064 1
1 983 . 17 1 1 A 80 80 CYS N N 80 118.623 120.859 -2.236 1
1 984 . 17 1 1 A 81 81 ASP H H 81 9.729 9.035 0.694 1
1 985 . 17 1 1 A 81 81 ASP HA H 81 4.781 4.862 -0.081 1
1 988 . 17 1 1 A 81 81 ASP C C 81 173.576 174.582 -1.006 1
1 989 . 17 1 1 A 81 81 ASP CA C 81 52.855 52.998 -0.143 1
1 990 . 17 1 1 A 81 81 ASP CB C 81 40.733 40.985 -0.252 1
1 991 . 17 1 1 A 81 81 ASP N N 81 124.777 126.658 -1.881 1
1 992 . 17 1 1 A 82 82 ILE H H 82 7.820 8.092 -0.272 1
1 993 . 17 1 1 A 82 82 ILE HA H 82 4.320 4.532 -0.212 1
1 1003 . 17 1 1 A 82 82 ILE C C 82 173.923 174.023 -0.100 1
1 1004 . 17 1 1 A 82 82 ILE CA C 82 56.118 57.400 -1.282 1
1 1005 . 17 1 1 A 82 82 ILE CB C 82 38.166 38.939 -0.773 1
1 1009 . 17 1 1 A 82 82 ILE N N 82 125.281 126.395 -1.114 1
1 1010 . 17 1 1 A 83 83 PRO HA H 83 4.337 4.395 -0.058 1
1 1017 . 17 1 1 A 83 83 PRO C C 83 175.167 176.132 -0.965 1
1 1018 . 17 1 1 A 83 83 PRO CA C 83 62.844 63.386 -0.542 1
1 1019 . 17 1 1 A 83 83 PRO CB C 83 32.450 32.140 0.310 1
1 1022 . 17 1 1 A 84 84 ARG H H 84 8.656 8.359 0.297 1
1 1023 . 17 1 1 A 84 84 ARG HA H 84 4.658 4.649 0.009 1
1 1031 . 17 1 1 A 84 84 ARG C C 84 175.137 174.924 0.213 1
1 1032 . 17 1 1 A 84 84 ARG CA C 84 55.617 54.931 0.686 1
1 1033 . 17 1 1 A 84 84 ARG CB C 84 30.482 32.015 -1.533 1
1 1036 . 17 1 1 A 84 84 ARG N N 84 122.316 117.661 4.655 1
1 1038 . 17 1 1 A 85 85 CYS H H 85 8.783 8.305 0.478 1
1 1039 . 17 1 1 A 85 85 CYS HA H 85 4.479 5.332 -0.853 1
1 1042 . 17 1 1 A 85 85 CYS C C 85 174.906 173.054 1.852 1
1 1043 . 17 1 1 A 85 85 CYS CA C 85 54.177 54.776 -0.599 1
1 1044 . 17 1 1 A 85 85 CYS CB C 85 39.574 45.163 -5.589 1
1 1045 . 17 1 1 A 85 85 CYS N N 85 124.002 119.630 4.372 1
1 1046 . 17 1 1 A 86 86 ALA H H 86 8.746 8.502 0.244 1
1 1047 . 17 1 1 A 86 86 ALA HA H 86 4.255 4.589 -0.334 1
1 1051 . 17 1 1 A 86 86 ALA C C 86 176.236 176.637 -0.401 1
1 1052 . 17 1 1 A 86 86 ALA CA C 86 53.067 51.637 1.430 1
1 1053 . 17 1 1 A 86 86 ALA CB C 86 19.034 19.304 -0.270 1
1 1054 . 17 1 1 A 86 86 ALA N N 86 126.444 124.846 1.598 1
1 1064 . 17 2 2 B 2 2 SER HA H 100 4.570 5.465 -0.895 1
1 1067 . 17 2 2 B 2 2 SER C C 100 174.779 174.230 0.549 1
1 1068 . 17 2 2 B 2 2 SER CA C 100 58.624 56.631 1.993 1
1 1069 . 17 2 2 B 2 2 SER CB C 100 63.939 65.344 -1.405 1
1 1070 . 17 2 2 B 3 3 VAL H H 101 8.341 8.538 -0.197 1
1 1071 . 17 2 2 B 3 3 VAL HA H 101 4.151 4.565 -0.414 1
1 1079 . 17 2 2 B 3 3 VAL C C 101 176.450 176.736 -0.286 1
1 1080 . 17 2 2 B 3 3 VAL CA C 101 62.793 60.822 1.971 1
1 1081 . 17 2 2 B 3 3 VAL CB C 101 32.495 31.866 0.629 1
1 1084 . 17 2 2 B 3 3 VAL N N 101 121.954 119.575 2.379 1
1 1085 . 17 2 2 B 4 4 GLU H H 102 8.521 8.166 0.355 1
1 1086 . 17 2 2 B 4 4 GLU HA H 102 4.291 4.229 0.062 1
1 1091 . 17 2 2 B 4 4 GLU C C 102 176.450 177.308 -0.858 1
1 1092 . 17 2 2 B 4 4 GLU CA C 102 56.955 58.249 -1.294 1
1 1093 . 17 2 2 B 4 4 GLU CB C 102 30.233 29.788 0.445 1
1 1095 . 17 2 2 B 4 4 GLU N N 102 124.722 122.370 2.352 1
1 1096 . 17 2 2 B 5 5 LYS H H 103 8.323 7.665 0.658 1
1 1097 . 17 2 2 B 5 5 LYS HA H 103 4.313 4.393 -0.080 1
1 1106 . 17 2 2 B 5 5 LYS C C 103 176.784 176.808 -0.024 1
1 1107 . 17 2 2 B 5 5 LYS CA C 103 56.688 56.871 -0.183 1
1 1108 . 17 2 2 B 5 5 LYS CB C 103 30.228 34.611 -4.383 1
1 1112 . 17 2 2 B 5 5 LYS N N 103 122.689 113.973 8.716 1
1 1113 . 17 2 2 B 6 6 LEU H H 104 8.369 8.189 0.180 1
1 1114 . 17 2 2 B 6 6 LEU HA H 104 4.500 4.451 0.049 1
1 1124 . 17 2 2 B 6 6 LEU C C 104 177.632 176.324 1.308 1
1 1125 . 17 2 2 B 6 6 LEU CA C 104 55.480 55.944 -0.464 1
1 1126 . 17 2 2 B 6 6 LEU CB C 104 42.587 44.191 -1.604 1
1 1130 . 17 2 2 B 6 6 LEU N N 104 123.373 119.183 4.190 1
1 1131 . 17 2 2 B 7 7 THR HA H 105 4.558 4.487 0.071 1
1 1137 . 17 2 2 B 7 7 THR C C 105 175.614 173.814 1.800 1
1 1138 . 17 2 2 B 7 7 THR CA C 105 62.000 60.405 1.595 1
1 1139 . 17 2 2 B 7 7 THR CB C 105 70.090 69.879 0.211 1
1 1141 . 17 2 2 B 8 8 ALA H H 106 8.649 8.891 -0.242 1
1 1142 . 17 2 2 B 8 8 ALA HA H 106 4.458 4.062 0.396 1
1 1146 . 17 2 2 B 8 8 ALA C C 106 179.290 179.192 0.098 1
1 1147 . 17 2 2 B 8 8 ALA CA C 106 55.552 55.478 0.074 1
1 1148 . 17 2 2 B 8 8 ALA CB C 106 18.704 18.053 0.651 1
1 1149 . 17 2 2 B 8 8 ALA N N 106 124.857 126.731 -1.874 1
1 1150 . 17 2 2 B 9 9 ASP H H 107 8.286 8.359 -0.073 1
1 1151 . 17 2 2 B 9 9 ASP HA H 107 4.457 4.452 0.005 1
1 1154 . 17 2 2 B 9 9 ASP C C 107 178.845 178.379 0.466 1
1 1155 . 17 2 2 B 9 9 ASP CA C 107 57.733 56.844 0.889 1
1 1156 . 17 2 2 B 9 9 ASP CB C 107 40.881 41.456 -0.575 1
1 1157 . 17 2 2 B 9 9 ASP N N 107 115.621 118.133 -2.512 1
1 1158 . 17 2 2 B 10 10 ALA H H 108 7.887 8.175 -0.288 1
1 1159 . 17 2 2 B 10 10 ALA HA H 108 4.182 4.042 0.140 1
1 1163 . 17 2 2 B 10 10 ALA C C 108 180.906 178.975 1.931 1
1 1164 . 17 2 2 B 10 10 ALA CA C 108 55.014 54.941 0.073 1
1 1165 . 17 2 2 B 10 10 ALA CB C 108 18.631 17.807 0.824 1
1 1166 . 17 2 2 B 10 10 ALA N N 108 122.756 121.520 1.236 1
1 1167 . 17 2 2 B 11 11 GLU H H 109 8.390 7.988 0.402 1
1 1168 . 17 2 2 B 11 11 GLU HA H 109 4.256 4.089 0.167 1
1 1173 . 17 2 2 B 11 11 GLU C C 109 178.678 179.062 -0.384 1
1 1174 . 17 2 2 B 11 11 GLU CA C 109 59.105 59.241 -0.136 1
1 1175 . 17 2 2 B 11 11 GLU CB C 109 29.559 29.435 0.124 1
1 1177 . 17 2 2 B 11 11 GLU N N 109 121.999 119.093 2.906 1
1 1178 . 17 2 2 B 12 12 LEU H H 110 8.395 7.922 0.473 1
1 1179 . 17 2 2 B 12 12 LEU HA H 110 3.808 3.920 -0.112 1
1 1189 . 17 2 2 B 12 12 LEU C C 110 178.288 178.693 -0.405 1
1 1190 . 17 2 2 B 12 12 LEU CA C 110 58.407 57.861 0.546 1
1 1191 . 17 2 2 B 12 12 LEU CB C 110 41.329 40.995 0.334 1
1 1195 . 17 2 2 B 12 12 LEU N N 110 119.939 120.397 -0.458 1
1 1196 . 17 2 2 B 13 13 GLN H H 111 7.761 8.195 -0.434 1
1 1197 . 17 2 2 B 13 13 GLN HA H 111 4.008 3.932 0.076 1
1 1202 . 17 2 2 B 13 13 GLN C C 111 177.954 178.757 -0.803 1
1 1203 . 17 2 2 B 13 13 GLN CA C 111 58.674 59.438 -0.764 1
1 1204 . 17 2 2 B 13 13 GLN CB C 111 28.513 28.204 0.309 1
1 1206 . 17 2 2 B 13 13 GLN N N 111 117.305 118.822 -1.517 1
1 1207 . 17 2 2 B 14 14 ARG H H 112 7.752 7.698 0.054 1
1 1208 . 17 2 2 B 14 14 ARG HA H 112 4.053 4.065 -0.012 1
1 1216 . 17 2 2 B 14 14 ARG C C 112 179.625 179.136 0.489 1
1 1217 . 17 2 2 B 14 14 ARG CA C 112 59.770 58.983 0.787 1
1 1218 . 17 2 2 B 14 14 ARG CB C 112 29.884 29.775 0.109 1
1 1221 . 17 2 2 B 14 14 ARG N N 112 121.241 119.724 1.517 1
1 1223 . 17 2 2 B 15 15 LEU H H 113 8.478 8.806 -0.328 1
1 1224 . 17 2 2 B 15 15 LEU HA H 113 3.974 4.056 -0.082 1
1 1234 . 17 2 2 B 15 15 LEU C C 113 180.627 179.373 1.254 1
1 1235 . 17 2 2 B 15 15 LEU CA C 113 58.251 57.541 0.710 1
1 1236 . 17 2 2 B 15 15 LEU CB C 113 41.751 40.898 0.853 1
1 1240 . 17 2 2 B 15 15 LEU N N 113 120.898 119.605 1.293 1
1 1241 . 17 2 2 B 16 16 LYS H H 114 8.437 8.092 0.345 1
1 1242 . 17 2 2 B 16 16 LYS HA H 114 3.368 4.104 -0.736 1
1 1251 . 17 2 2 B 16 16 LYS C C 114 178.288 178.805 -0.517 1
1 1252 . 17 2 2 B 16 16 LYS CA C 114 60.242 59.852 0.390 1
1 1253 . 17 2 2 B 16 16 LYS CB C 114 30.249 31.858 -1.609 1
1 1257 . 17 2 2 B 16 16 LYS N N 114 123.214 121.425 1.789 1
1 1258 . 17 2 2 B 17 17 ASN H H 115 8.137 8.347 -0.210 1
1 1259 . 17 2 2 B 17 17 ASN HA H 115 4.270 4.400 -0.130 1
1 1264 . 17 2 2 B 17 17 ASN C C 115 178.288 177.965 0.323 1
1 1265 . 17 2 2 B 17 17 ASN CA C 115 56.318 56.488 -0.170 1
1 1266 . 17 2 2 B 17 17 ASN CB C 115 37.573 37.613 -0.040 1
1 1267 . 17 2 2 B 17 17 ASN N N 115 117.923 117.982 -0.059 1
1 1269 . 17 2 2 B 18 18 GLU H H 116 8.110 8.812 -0.702 1
1 1270 . 17 2 2 B 18 18 GLU HA H 116 4.146 4.024 0.122 1
1 1275 . 17 2 2 B 18 18 GLU C C 116 178.956 179.120 -0.164 1
1 1276 . 17 2 2 B 18 18 GLU CA C 116 59.659 59.683 -0.024 1
1 1277 . 17 2 2 B 18 18 GLU CB C 116 29.950 29.169 0.781 1
1 1279 . 17 2 2 B 18 18 GLU N N 116 120.249 120.080 0.169 1
1 1280 . 17 2 2 B 19 19 ARG H H 117 7.925 8.237 -0.312 1
1 1281 . 17 2 2 B 19 19 ARG HA H 117 4.057 4.123 -0.066 1
1 1289 . 17 2 2 B 19 19 ARG C C 117 180.070 179.295 0.775 1
1 1290 . 17 2 2 B 19 19 ARG CA C 117 59.564 59.154 0.410 1
1 1291 . 17 2 2 B 19 19 ARG CB C 117 29.879 29.843 0.036 1
1 1294 . 17 2 2 B 19 19 ARG N N 117 119.801 118.975 0.826 1
1 1296 . 17 2 2 B 20 20 HIS H H 118 8.316 8.109 0.207 1
1 1297 . 17 2 2 B 20 20 HIS HA H 118 4.574 4.304 0.270 1
1 1304 . 17 2 2 B 20 20 HIS C C 118 176.784 177.763 -0.979 1
1 1305 . 17 2 2 B 20 20 HIS CA C 118 58.397 59.249 -0.852 1
1 1306 . 17 2 2 B 20 20 HIS CB C 118 29.343 30.056 -0.713 1
1 1309 . 17 2 2 B 20 20 HIS N N 118 117.802 118.469 -0.667 1
1 1310 . 17 2 2 B 21 21 GLU H H 119 8.400 8.619 -0.219 1
1 1311 . 17 2 2 B 21 21 GLU HA H 119 4.268 3.845 0.423 1
1 1316 . 17 2 2 B 21 21 GLU C C 119 178.566 179.472 -0.906 1
1 1317 . 17 2 2 B 21 21 GLU CA C 119 59.105 59.730 -0.625 1
1 1318 . 17 2 2 B 21 21 GLU CB C 119 29.559 29.237 0.322 1
1 1320 . 17 2 2 B 21 21 GLU N N 119 121.996 119.828 2.168 1
1 1321 . 17 2 2 B 22 22 GLU H H 120 8.285 8.692 -0.407 1
1 1322 . 17 2 2 B 22 22 GLU HA H 120 4.204 4.047 0.157 1
1 1327 . 17 2 2 B 22 22 GLU C C 120 178.288 179.230 -0.942 1
1 1328 . 17 2 2 B 22 22 GLU CA C 120 58.841 59.407 -0.566 1
1 1329 . 17 2 2 B 22 22 GLU CB C 120 29.322 29.283 0.039 1
1 1331 . 17 2 2 B 22 22 GLU N N 120 119.798 120.503 -0.705 1
1 1332 . 17 2 2 B 23 23 ALA H H 121 8.037 8.300 -0.263 1
1 1333 . 17 2 2 B 23 23 ALA HA H 121 4.270 3.989 0.281 1
1 1337 . 17 2 2 B 23 23 ALA C C 121 179.569 179.591 -0.022 1
1 1338 . 17 2 2 B 23 23 ALA CA C 121 54.158 55.237 -1.079 1
1 1339 . 17 2 2 B 23 23 ALA CB C 121 18.923 18.198 0.725 1
1 1340 . 17 2 2 B 23 23 ALA N N 121 122.418 122.651 -0.233 1
1 1341 . 17 2 2 B 24 24 GLU H H 122 8.039 7.951 0.088 1
1 1342 . 17 2 2 B 24 24 GLU HA H 122 4.291 3.984 0.307 1
1 1347 . 17 2 2 B 24 24 GLU C C 122 177.954 179.941 -1.987 1
1 1348 . 17 2 2 B 24 24 GLU CA C 122 58.023 58.924 -0.901 1
1 1349 . 17 2 2 B 24 24 GLU CB C 122 29.566 29.415 0.151 1
1 1351 . 17 2 2 B 24 24 GLU N N 122 119.517 118.344 1.173 1
1 1352 . 17 2 2 B 25 25 LEU H H 123 7.962 8.985 -1.023 1
1 1353 . 17 2 2 B 25 25 LEU HA H 123 4.226 4.014 0.212 1
1 1363 . 17 2 2 B 25 25 LEU C C 123 179.123 178.958 0.165 1
1 1364 . 17 2 2 B 25 25 LEU CA C 123 57.213 57.953 -0.740 1
1 1365 . 17 2 2 B 25 25 LEU CB C 123 41.809 40.965 0.844 1
1 1369 . 17 2 2 B 25 25 LEU N N 123 120.617 120.414 0.203 1
1 1370 . 17 2 2 B 26 26 GLU H H 124 8.093 8.301 -0.208 1
1 1371 . 17 2 2 B 26 26 GLU HA H 124 4.140 3.987 0.153 1
1 1376 . 17 2 2 B 26 26 GLU C C 124 177.954 178.515 -0.561 1
1 1377 . 17 2 2 B 26 26 GLU CA C 124 58.095 59.140 -1.045 1
1 1378 . 17 2 2 B 26 26 GLU CB C 124 29.910 29.081 0.829 1
1 1380 . 17 2 2 B 26 26 GLU N N 124 119.473 120.698 -1.225 1
1 1381 . 17 2 2 B 27 27 ARG H H 125 7.954 8.067 -0.113 1
1 1382 . 17 2 2 B 27 27 ARG HA H 125 4.210 4.131 0.079 1
1 1390 . 17 2 2 B 27 27 ARG C C 125 177.619 178.436 -0.817 1
1 1391 . 17 2 2 B 27 27 ARG CA C 125 57.677 58.509 -0.832 1
1 1392 . 17 2 2 B 27 27 ARG CB C 125 30.374 29.903 0.471 1
1 1395 . 17 2 2 B 27 27 ARG N N 125 120.670 120.451 0.219 1
1 1397 . 17 2 2 B 28 28 LEU H H 126 8.038 7.934 0.104 1
1 1398 . 17 2 2 B 28 28 LEU HA H 126 4.270 4.084 0.186 1
1 1408 . 17 2 2 B 28 28 LEU C C 126 178.065 178.308 -0.243 1
1 1409 . 17 2 2 B 28 28 LEU CA C 126 56.096 57.630 -1.534 1
1 1410 . 17 2 2 B 28 28 LEU CB C 126 42.252 41.395 0.857 1
1 1414 . 17 2 2 B 28 28 LEU N N 126 120.818 120.928 -0.110 1
1 1415 . 17 2 2 B 29 29 LYS H H 127 7.944 8.247 -0.303 1
1 1416 . 17 2 2 B 29 29 LYS HA H 127 4.270 3.997 0.273 1
1 1425 . 17 2 2 B 29 29 LYS C C 127 176.951 176.244 0.707 1
1 1426 . 17 2 2 B 29 29 LYS CA C 127 57.168 59.311 -2.143 1
1 1427 . 17 2 2 B 29 29 LYS CB C 127 32.755 31.945 0.810 1
1 1431 . 17 2 2 B 29 29 LYS N N 127 119.960 119.841 0.119 1
1 1432 . 17 2 2 B 30 30 SER H H 128 8.030 8.708 -0.678 1
1 1433 . 17 2 2 B 30 30 SER HA H 128 4.466 4.188 0.278 1
1 1436 . 17 2 2 B 30 30 SER C C 128 176.101 173.960 2.141 1
1 1437 . 17 2 2 B 30 30 SER CA C 128 58.590 59.536 -0.946 1
1 1438 . 17 2 2 B 30 30 SER CB C 128 63.939 61.431 2.508 1
1 1439 . 17 2 2 B 30 30 SER N N 128 115.496 113.440 2.056 1
1 1440 . 17 2 2 B 31 31 GLU H H 129 8.157 8.263 -0.106 1
1 1441 . 17 2 2 B 31 31 GLU HA H 129 4.291 3.670 0.621 1
1 1446 . 17 2 2 B 31 31 GLU C C 129 175.112 175.163 -0.051 1
1 1447 . 17 2 2 B 31 31 GLU CA C 129 56.654 58.966 -2.312 1
1 1448 . 17 2 2 B 31 31 GLU CB C 129 30.389 28.035 2.354 1
1 1450 . 17 2 2 B 31 31 GLU N N 129 122.569 111.231 11.338 1
1 1 . 18 1 1 A 2 2 VAL H H 2 7.944 8.104 -0.160 1
1 2 . 18 1 1 A 2 2 VAL HA H 2 4.035 4.434 -0.399 1
1 10 . 18 1 1 A 2 2 VAL C C 2 174.807 176.184 -1.377 1
1 11 . 18 1 1 A 2 2 VAL CA C 2 61.947 61.121 0.826 1
1 12 . 18 1 1 A 2 2 VAL CB C 2 33.175 33.480 -0.305 1
1 15 . 18 1 1 A 2 2 VAL N N 2 123.960 117.698 6.262 1
1 16 . 18 1 1 A 3 3 GLU H H 3 8.465 8.178 0.287 1
1 17 . 18 1 1 A 3 3 GLU HA H 3 4.168 4.244 -0.076 1
1 22 . 18 1 1 A 3 3 GLU C C 3 175.888 177.175 -1.287 1
1 23 . 18 1 1 A 3 3 GLU CA C 3 56.487 58.245 -1.758 1
1 24 . 18 1 1 A 3 3 GLU CB C 3 30.349 30.242 0.107 1
1 26 . 18 1 1 A 3 3 GLU N N 3 125.549 122.763 2.786 1
1 27 . 18 1 1 A 4 4 PHE H H 4 8.330 7.617 0.713 1
1 28 . 18 1 1 A 4 4 PHE HA H 4 4.651 4.609 0.042 1
1 36 . 18 1 1 A 4 4 PHE C C 4 175.550 176.015 -0.465 1
1 37 . 18 1 1 A 4 4 PHE CA C 4 57.827 58.589 -0.762 1
1 38 . 18 1 1 A 4 4 PHE CB C 4 39.623 40.478 -0.855 1
1 44 . 18 1 1 A 4 4 PHE N N 4 121.869 118.963 2.906 1
1 45 . 18 1 1 A 5 5 SER H H 5 8.177 8.928 -0.751 1
1 46 . 18 1 1 A 5 5 SER HA H 5 4.395 4.585 -0.190 1
1 49 . 18 1 1 A 5 5 SER C C 5 173.996 174.065 -0.069 1
1 50 . 18 1 1 A 5 5 SER CA C 5 58.045 57.791 0.254 1
1 51 . 18 1 1 A 5 5 SER CB C 5 64.050 61.172 2.878 1
1 52 . 18 1 1 A 5 5 SER N N 5 117.865 119.348 -1.483 1
1 53 . 18 1 1 A 6 6 GLU H H 6 8.425 8.567 -0.142 1
1 54 . 18 1 1 A 6 6 GLU HA H 6 4.290 4.558 -0.268 1
1 59 . 18 1 1 A 6 6 GLU C C 6 176.699 176.020 0.679 1
1 60 . 18 1 1 A 6 6 GLU CA C 6 56.479 55.869 0.610 1
1 61 . 18 1 1 A 6 6 GLU CB C 6 30.715 30.196 0.519 1
1 63 . 18 1 1 A 6 6 GLU N N 6 122.791 125.247 -2.456 1
1 64 . 18 1 1 A 7 7 GLU H H 7 8.421 7.840 0.581 1
1 65 . 18 1 1 A 7 7 GLU HA H 7 4.742 4.449 0.293 1
1 70 . 18 1 1 A 7 7 GLU C C 7 175.145 175.033 0.112 1
1 71 . 18 1 1 A 7 7 GLU CA C 7 55.617 55.957 -0.340 1
1 72 . 18 1 1 A 7 7 GLU CB C 7 29.095 27.786 1.309 1
1 74 . 18 1 1 A 7 7 GLU N N 7 122.775 119.588 3.187 1
1 75 . 18 1 1 A 8 8 CYS H H 8 7.917 8.400 -0.483 1
1 76 . 18 1 1 A 8 8 CYS HA H 8 4.969 5.119 -0.150 1
1 79 . 18 1 1 A 8 8 CYS C C 8 171.610 171.375 0.235 1
1 80 . 18 1 1 A 8 8 CYS CA C 8 53.880 54.378 -0.498 1
1 81 . 18 1 1 A 8 8 CYS CB C 8 43.144 45.977 -2.833 1
1 82 . 18 1 1 A 8 8 CYS N N 8 115.067 118.917 -3.850 1
1 83 . 18 1 1 A 9 9 MET H H 9 9.379 8.983 0.396 1
1 84 . 18 1 1 A 9 9 MET HA H 9 5.049 4.998 0.051 1
1 89 . 18 1 1 A 9 9 MET C C 9 174.038 177.020 -2.982 1
1 90 . 18 1 1 A 9 9 MET CA C 9 53.312 54.290 -0.978 1
1 91 . 18 1 1 A 9 9 MET CB C 9 36.165 34.566 1.599 1
1 93 . 18 1 1 A 9 9 MET N N 9 117.763 120.951 -3.188 1
1 94 . 18 1 1 A 10 10 HIS H H 10 9.610 9.184 0.426 1
1 95 . 18 1 1 A 10 10 HIS HA H 10 4.877 4.115 0.762 1
1 102 . 18 1 1 A 10 10 HIS C C 10 176.698 175.420 1.278 1
1 103 . 18 1 1 A 10 10 HIS CA C 10 55.016 59.929 -4.913 1
1 104 . 18 1 1 A 10 10 HIS CB C 10 31.116 30.925 0.191 1
1 107 . 18 1 1 A 10 10 HIS N N 10 124.293 125.869 -1.576 1
1 108 . 18 1 1 A 11 11 GLY H H 11 9.249 7.741 1.508 1
1 109 . 18 1 1 A 11 11 GLY HA2 H 11 4.104 3.722 0.382 1
1 110 . 18 1 1 A 11 11 GLY HA3 H 11 3.843 3.833 0.010 1
1 111 . 18 1 1 A 11 11 GLY C C 11 174.559 174.845 -0.286 1
1 112 . 18 1 1 A 11 11 GLY CA C 11 47.652 45.340 2.312 1
1 113 . 18 1 1 A 11 11 GLY N N 11 115.224 107.396 7.828 1
1 114 . 18 1 1 A 12 12 SER H H 12 8.999 8.325 0.674 1
1 115 . 18 1 1 A 12 12 SER HA H 12 4.653 4.398 0.255 1
1 118 . 18 1 1 A 12 12 SER C C 12 176.178 175.826 0.352 1
1 119 . 18 1 1 A 12 12 SER CA C 12 57.731 59.355 -1.624 1
1 120 . 18 1 1 A 12 12 SER CB C 12 63.439 64.626 -1.187 1
1 121 . 18 1 1 A 12 12 SER N N 12 121.965 115.098 6.867 1
1 122 . 18 1 1 A 13 13 GLY H H 13 9.022 7.581 1.441 1
1 123 . 18 1 1 A 13 13 GLY HA2 H 13 4.052 3.997 0.055 1
1 124 . 18 1 1 A 13 13 GLY HA3 H 13 3.957 4.022 -0.065 1
1 125 . 18 1 1 A 13 13 GLY C C 13 176.178 175.859 0.319 1
1 126 . 18 1 1 A 13 13 GLY CA C 13 47.972 45.402 2.570 1
1 127 . 18 1 1 A 13 13 GLY N N 13 109.294 109.809 -0.515 1
1 128 . 18 1 1 A 14 14 GLU H H 14 9.552 8.456 1.096 1
1 129 . 18 1 1 A 14 14 GLU HA H 14 4.347 4.260 0.087 1
1 134 . 18 1 1 A 14 14 GLU C C 14 177.045 178.150 -1.105 1
1 135 . 18 1 1 A 14 14 GLU CA C 14 60.282 59.234 1.048 1
1 136 . 18 1 1 A 14 14 GLU CB C 14 29.145 29.225 -0.080 1
1 138 . 18 1 1 A 14 14 GLU N N 14 123.736 120.845 2.891 1
1 139 . 18 1 1 A 15 15 ASN H H 15 8.425 7.400 1.025 1
1 140 . 18 1 1 A 15 15 ASN HA H 15 5.030 4.758 0.272 1
1 144 . 18 1 1 A 15 15 ASN C C 15 174.848 175.128 -0.280 1
1 145 . 18 1 1 A 15 15 ASN CA C 15 51.725 54.134 -2.409 1
1 146 . 18 1 1 A 15 15 ASN CB C 15 38.404 38.633 -0.229 1
1 147 . 18 1 1 A 15 15 ASN N N 15 112.918 116.155 -3.237 1
1 150 . 18 1 1 A 16 16 TYR H H 16 7.622 7.557 0.065 1
1 151 . 18 1 1 A 16 16 TYR HA H 16 4.445 4.828 -0.383 1
1 159 . 18 1 1 A 16 16 TYR C C 16 175.773 174.436 1.337 1
1 160 . 18 1 1 A 16 16 TYR CA C 16 60.125 56.869 3.256 1
1 161 . 18 1 1 A 16 16 TYR CB C 16 38.590 38.778 -0.188 1
1 166 . 18 1 1 A 16 16 TYR N N 16 121.437 122.329 -0.892 1
1 167 . 18 1 1 A 17 17 ASP H H 17 8.722 8.625 0.097 1
1 168 . 18 1 1 A 17 17 ASP HA H 17 4.599 4.737 -0.138 1
1 171 . 18 1 1 A 17 17 ASP C C 17 175.748 173.874 1.874 1
1 172 . 18 1 1 A 17 17 ASP CA C 17 52.327 52.448 -0.121 1
1 173 . 18 1 1 A 17 17 ASP CB C 17 42.265 40.761 1.504 1
1 174 . 18 1 1 A 17 17 ASP N N 17 130.345 129.052 1.293 1
1 175 . 18 1 1 A 18 18 GLY H H 18 4.504 7.671 -3.167 1
1 176 . 18 1 1 A 18 18 GLY HA2 H 18 4.092 3.628 0.464 1
1 177 . 18 1 1 A 18 18 GLY HA3 H 18 3.786 3.865 -0.079 1
1 178 . 18 1 1 A 18 18 GLY C C 18 174.732 173.929 0.803 1
1 179 . 18 1 1 A 18 18 GLY CA C 18 44.739 43.745 0.994 1
1 180 . 18 1 1 A 18 18 GLY N N 18 104.445 112.048 -7.603 1
1 181 . 18 1 1 A 19 19 LYS H H 19 9.272 8.424 0.848 1
1 182 . 18 1 1 A 19 19 LYS HA H 19 3.248 3.097 0.151 1
1 191 . 18 1 1 A 19 19 LYS C C 19 176.409 176.554 -0.145 1
1 192 . 18 1 1 A 19 19 LYS CA C 19 55.454 56.136 -0.682 1
1 193 . 18 1 1 A 19 19 LYS CB C 19 32.499 31.887 0.612 1
1 197 . 18 1 1 A 19 19 LYS N N 19 117.569 116.591 0.978 1
1 198 . 18 1 1 A 20 20 ILE H H 20 7.559 7.062 0.497 1
1 199 . 18 1 1 A 20 20 ILE HA H 20 3.991 4.113 -0.122 1
1 209 . 18 1 1 A 20 20 ILE C C 20 176.756 176.966 -0.210 1
1 210 . 18 1 1 A 20 20 ILE CA C 20 64.261 62.171 2.090 1
1 211 . 18 1 1 A 20 20 ILE CB C 20 36.212 37.531 -1.319 1
1 215 . 18 1 1 A 20 20 ILE N N 20 122.778 123.260 -0.482 1
1 216 . 18 1 1 A 21 21 SER H H 21 8.817 8.991 -0.174 1
1 217 . 18 1 1 A 21 21 SER HA H 21 5.128 5.220 -0.092 1
1 220 . 18 1 1 A 21 21 SER C C 21 172.708 173.648 -0.940 1
1 221 . 18 1 1 A 21 21 SER CA C 21 57.513 57.574 -0.061 1
1 222 . 18 1 1 A 21 21 SER CB C 21 65.126 64.698 0.428 1
1 223 . 18 1 1 A 21 21 SER N N 21 122.859 119.956 2.903 1
1 224 . 18 1 1 A 22 22 LYS H H 22 7.150 7.714 -0.564 1
1 225 . 18 1 1 A 22 22 LYS HA H 22 5.530 5.250 0.280 1
1 234 . 18 1 1 A 22 22 LYS C C 22 176.120 176.459 -0.339 1
1 235 . 18 1 1 A 22 22 LYS CA C 22 53.471 54.626 -1.155 1
1 236 . 18 1 1 A 22 22 LYS CB C 22 37.049 35.820 1.229 1
1 240 . 18 1 1 A 22 22 LYS N N 22 119.681 121.031 -1.350 1
1 241 . 18 1 1 A 23 23 THR H H 23 9.134 8.938 0.196 1
1 242 . 18 1 1 A 23 23 THR HA H 23 4.630 4.732 -0.102 1
1 248 . 18 1 1 A 23 23 THR C C 23 177.971 176.143 1.828 1
1 249 . 18 1 1 A 23 23 THR CA C 23 61.032 60.673 0.359 1
1 250 . 18 1 1 A 23 23 THR CB C 23 70.818 71.780 -0.962 1
1 252 . 18 1 1 A 23 23 THR N N 23 111.072 113.942 -2.870 1
1 253 . 18 1 1 A 24 24 MET H H 24 9.383 9.171 0.212 1
1 254 . 18 1 1 A 24 24 MET HA H 24 4.168 4.254 -0.086 1
1 259 . 18 1 1 A 24 24 MET C C 24 176.122 176.701 -0.579 1
1 260 . 18 1 1 A 24 24 MET CA C 24 58.704 57.568 1.136 1
1 261 . 18 1 1 A 24 24 MET CB C 24 32.546 32.645 -0.099 1
1 263 . 18 1 1 A 24 24 MET N N 24 118.120 119.829 -1.709 1
1 264 . 18 1 1 A 25 25 SER H H 25 7.763 7.906 -0.143 1
1 265 . 18 1 1 A 25 25 SER HA H 25 4.575 4.449 0.126 1
1 269 . 18 1 1 A 25 25 SER C C 25 174.848 175.451 -0.603 1
1 270 . 18 1 1 A 25 25 SER CA C 25 58.895 59.106 -0.211 1
1 271 . 18 1 1 A 25 25 SER CB C 25 62.844 63.963 -1.119 1
1 272 . 18 1 1 A 25 25 SER N N 25 113.626 111.230 2.396 1
1 273 . 18 1 1 A 26 26 GLY H H 26 8.136 8.104 0.032 1
1 274 . 18 1 1 A 26 26 GLY HA2 H 26 4.305 3.984 0.321 1
1 275 . 18 1 1 A 26 26 GLY HA3 H 26 3.503 3.990 -0.487 1
1 276 . 18 1 1 A 26 26 GLY C C 26 174.212 174.686 -0.474 1
1 277 . 18 1 1 A 26 26 GLY CA C 26 45.125 46.198 -1.073 1
1 278 . 18 1 1 A 26 26 GLY N N 26 110.819 111.269 -0.450 1
1 279 . 18 1 1 A 27 27 LEU H H 27 7.183 8.399 -1.216 1
1 280 . 18 1 1 A 27 27 LEU HA H 27 4.319 4.515 -0.196 1
1 290 . 18 1 1 A 27 27 LEU C C 27 176.178 176.412 -0.234 1
1 291 . 18 1 1 A 27 27 LEU CA C 27 54.211 54.273 -0.062 1
1 292 . 18 1 1 A 27 27 LEU CB C 27 42.260 42.648 -0.388 1
1 296 . 18 1 1 A 27 27 LEU N N 27 120.765 122.252 -1.487 1
1 297 . 18 1 1 A 28 28 GLU H H 28 8.699 8.640 0.059 1
1 298 . 18 1 1 A 28 28 GLU HA H 28 4.506 4.445 0.061 1
1 303 . 18 1 1 A 28 28 GLU C C 28 177.161 176.510 0.651 1
1 304 . 18 1 1 A 28 28 GLU CA C 28 56.451 56.041 0.410 1
1 305 . 18 1 1 A 28 28 GLU CB C 28 30.018 30.340 -0.322 1
1 307 . 18 1 1 A 28 28 GLU N N 28 122.582 120.718 1.864 1
1 308 . 18 1 1 A 29 29 CYS H H 29 8.624 8.900 -0.276 1
1 309 . 18 1 1 A 29 29 CYS HA H 29 4.812 4.954 -0.142 1
1 312 . 18 1 1 A 29 29 CYS C C 29 177.045 173.107 3.938 1
1 313 . 18 1 1 A 29 29 CYS CA C 29 55.189 56.378 -1.189 1
1 314 . 18 1 1 A 29 29 CYS CB C 29 37.938 42.930 -4.992 1
1 315 . 18 1 1 A 29 29 CYS N N 29 125.564 125.160 0.404 1
1 316 . 18 1 1 A 30 30 GLN H H 30 9.664 8.991 0.673 1
1 317 . 18 1 1 A 30 30 GLN HA H 30 3.841 4.632 -0.791 1
1 324 . 18 1 1 A 30 30 GLN C C 30 175.310 175.912 -0.602 1
1 325 . 18 1 1 A 30 30 GLN CA C 30 55.501 54.516 0.985 1
1 326 . 18 1 1 A 30 30 GLN CB C 30 29.943 30.525 -0.582 1
1 328 . 18 1 1 A 30 30 GLN N N 30 127.687 125.153 2.534 1
1 330 . 18 1 1 A 31 31 ALA H H 31 8.728 8.798 -0.070 1
1 331 . 18 1 1 A 31 31 ALA HA H 31 4.052 4.470 -0.418 1
1 335 . 18 1 1 A 31 31 ALA C C 31 178.722 178.609 0.113 1
1 336 . 18 1 1 A 31 31 ALA CA C 31 52.327 52.811 -0.484 1
1 337 . 18 1 1 A 31 31 ALA CB C 31 18.034 19.427 -1.393 1
1 338 . 18 1 1 A 31 31 ALA N N 31 128.680 128.528 0.152 1
1 339 . 18 1 1 A 32 32 TRP H H 32 7.703 8.682 -0.979 1
1 340 . 18 1 1 A 32 32 TRP HA H 32 4.244 4.432 -0.188 1
1 349 . 18 1 1 A 32 32 TRP C C 32 177.566 178.380 -0.814 1
1 350 . 18 1 1 A 32 32 TRP CA C 32 59.531 59.770 -0.239 1
1 351 . 18 1 1 A 32 32 TRP CB C 32 29.953 29.303 0.650 1
1 357 . 18 1 1 A 32 32 TRP N N 32 123.505 124.330 -0.825 1
1 359 . 18 1 1 A 33 33 ASP H H 33 8.797 8.048 0.749 1
1 360 . 18 1 1 A 33 33 ASP HA H 33 4.634 4.742 -0.108 1
1 363 . 18 1 1 A 33 33 ASP C C 33 175.831 176.144 -0.313 1
1 364 . 18 1 1 A 33 33 ASP CA C 33 54.398 55.578 -1.180 1
1 365 . 18 1 1 A 33 33 ASP CB C 33 40.707 41.176 -0.469 1
1 366 . 18 1 1 A 33 33 ASP N N 33 113.424 119.829 -6.405 1
1 367 . 18 1 1 A 34 34 SER H H 34 8.039 8.122 -0.083 1
1 368 . 18 1 1 A 34 34 SER HA H 34 4.737 4.765 -0.028 1
1 372 . 18 1 1 A 34 34 SER C C 34 174.096 174.783 -0.687 1
1 373 . 18 1 1 A 34 34 SER CA C 34 56.454 56.470 -0.016 1
1 374 . 18 1 1 A 34 34 SER CB C 34 65.137 64.457 0.680 1
1 375 . 18 1 1 A 34 34 SER N N 34 114.429 116.061 -1.632 1
1 376 . 18 1 1 A 35 35 GLN H H 35 8.387 8.666 -0.279 1
1 377 . 18 1 1 A 35 35 GLN HA H 35 4.426 4.552 -0.126 1
1 384 . 18 1 1 A 35 35 GLN C C 35 173.518 174.676 -1.158 1
1 385 . 18 1 1 A 35 35 GLN CA C 35 54.020 55.642 -1.622 1
1 386 . 18 1 1 A 35 35 GLN CB C 35 28.804 29.041 -0.237 1
1 388 . 18 1 1 A 35 35 GLN N N 35 123.700 126.907 -3.207 1
1 390 . 18 1 1 A 36 36 SER H H 36 7.746 7.578 0.168 1
1 391 . 18 1 1 A 36 36 SER HA H 36 4.466 4.824 -0.358 1
1 395 . 18 1 1 A 36 36 SER C C 36 172.824 174.169 -1.345 1
1 396 . 18 1 1 A 36 36 SER CA C 36 54.749 54.542 0.207 1
1 397 . 18 1 1 A 36 36 SER CB C 36 65.162 65.421 -0.259 1
1 398 . 18 1 1 A 36 36 SER N N 36 112.974 116.129 -3.155 1
1 399 . 18 1 1 A 37 37 PRO HA H 37 4.382 4.452 -0.070 1
1 406 . 18 1 1 A 37 37 PRO C C 37 176.351 176.096 0.255 1
1 407 . 18 1 1 A 37 37 PRO CA C 37 64.110 63.770 0.340 1
1 408 . 18 1 1 A 37 37 PRO CB C 37 33.670 31.910 1.760 1
1 411 . 18 1 1 A 38 38 HIS H H 38 8.764 7.304 1.460 1
1 412 . 18 1 1 A 38 38 HIS HA H 38 4.897 4.675 0.222 1
1 417 . 18 1 1 A 38 38 HIS C C 38 178.144 174.934 3.210 1
1 418 . 18 1 1 A 38 38 HIS CA C 38 55.580 55.788 -0.208 1
1 419 . 18 1 1 A 38 38 HIS CB C 38 30.421 30.217 0.204 1
1 422 . 18 1 1 A 38 38 HIS N N 38 122.516 117.200 5.316 1
1 423 . 18 1 1 A 39 39 ALA H H 39 8.673 8.535 0.138 1
1 424 . 18 1 1 A 39 39 ALA HA H 39 4.493 4.262 0.231 1
1 428 . 18 1 1 A 39 39 ALA C C 39 178.375 177.075 1.300 1
1 429 . 18 1 1 A 39 39 ALA CA C 39 51.440 52.693 -1.253 1
1 430 . 18 1 1 A 39 39 ALA CB C 39 18.980 19.285 -0.305 1
1 431 . 18 1 1 A 39 39 ALA N N 39 128.546 127.148 1.398 1
1 432 . 18 1 1 A 40 40 HIS H H 40 9.291 8.429 0.862 1
1 433 . 18 1 1 A 40 40 HIS HA H 40 4.734 5.218 -0.484 1
1 439 . 18 1 1 A 40 40 HIS C C 40 175.484 173.788 1.696 1
1 440 . 18 1 1 A 40 40 HIS CA C 40 56.141 53.971 2.170 1
1 441 . 18 1 1 A 40 40 HIS CB C 40 35.545 31.508 4.037 1
1 444 . 18 1 1 A 40 40 HIS N N 40 120.682 115.820 4.862 1
1 445 . 18 1 1 A 41 41 GLY H H 41 9.080 9.095 -0.015 1
1 446 . 18 1 1 A 41 41 GLY HA2 H 41 4.602 3.760 0.842 1
1 447 . 18 1 1 A 41 41 GLY HA3 H 41 3.671 3.774 -0.103 1
1 448 . 18 1 1 A 41 41 GLY C C 41 176.409 173.584 2.825 1
1 449 . 18 1 1 A 41 41 GLY CA C 41 44.724 46.614 -1.890 1
1 450 . 18 1 1 A 41 41 GLY N N 41 106.159 107.464 -1.305 1
1 451 . 18 1 1 A 42 42 TYR H H 42 11.980 8.106 3.874 1
1 452 . 18 1 1 A 42 42 TYR HA H 42 4.616 5.286 -0.670 1
1 459 . 18 1 1 A 42 42 TYR C C 42 174.385 175.385 -1.000 1
1 460 . 18 1 1 A 42 42 TYR CA C 42 57.579 57.236 0.343 1
1 461 . 18 1 1 A 42 42 TYR CB C 42 36.198 37.948 -1.750 1
1 466 . 18 1 1 A 42 42 TYR N N 42 133.554 119.140 14.414 1
1 467 . 18 1 1 A 43 43 ILE H H 43 7.120 8.602 -1.482 1
1 468 . 18 1 1 A 43 43 ILE HA H 43 4.630 4.441 0.189 1
1 478 . 18 1 1 A 43 43 ILE C C 43 177.219 176.161 1.058 1
1 479 . 18 1 1 A 43 43 ILE CA C 43 58.201 58.874 -0.673 1
1 480 . 18 1 1 A 43 43 ILE CB C 43 38.761 37.867 0.894 1
1 484 . 18 1 1 A 43 43 ILE N N 43 118.881 125.477 -6.596 1
1 485 . 18 1 1 A 44 44 PRO HA H 44 4.193 4.625 -0.432 1
1 492 . 18 1 1 A 44 44 PRO C C 44 178.780 177.293 1.487 1
1 493 . 18 1 1 A 44 44 PRO CA C 44 67.061 64.365 2.696 1
1 494 . 18 1 1 A 44 44 PRO CB C 44 32.267 31.916 0.351 1
1 497 . 18 1 1 A 45 45 SER H H 45 7.984 8.218 -0.234 1
1 498 . 18 1 1 A 45 45 SER HA H 45 4.087 4.277 -0.190 1
1 502 . 18 1 1 A 45 45 SER C C 45 176.004 175.715 0.289 1
1 503 . 18 1 1 A 45 45 SER CA C 45 60.161 60.513 -0.352 1
1 504 . 18 1 1 A 45 45 SER CB C 45 62.260 62.793 -0.533 1
1 505 . 18 1 1 A 45 45 SER N N 45 107.865 112.840 -4.975 1
1 506 . 18 1 1 A 46 46 LYS H H 46 7.769 7.565 0.204 1
1 507 . 18 1 1 A 46 46 LYS HA H 46 3.965 4.162 -0.197 1
1 516 . 18 1 1 A 46 46 LYS C C 46 175.831 176.296 -0.465 1
1 517 . 18 1 1 A 46 46 LYS CA C 46 57.349 57.578 -0.229 1
1 518 . 18 1 1 A 46 46 LYS CB C 46 33.283 32.003 1.280 1
1 522 . 18 1 1 A 46 46 LYS N N 46 121.944 118.410 3.534 1
1 523 . 18 1 1 A 47 47 PHE H H 47 7.018 7.724 -0.706 1
1 524 . 18 1 1 A 47 47 PHE HA H 47 5.244 5.097 0.147 1
1 532 . 18 1 1 A 47 47 PHE C C 47 174.790 174.587 0.203 1
1 533 . 18 1 1 A 47 47 PHE CA C 47 54.142 54.843 -0.701 1
1 534 . 18 1 1 A 47 47 PHE CB C 47 39.434 39.077 0.357 1
1 539 . 18 1 1 A 47 47 PHE N N 47 115.480 119.472 -3.992 1
1 540 . 18 1 1 A 48 48 PRO HA H 48 4.472 4.413 0.059 1
1 547 . 18 1 1 A 48 48 PRO C C 48 177.681 178.230 -0.549 1
1 548 . 18 1 1 A 48 48 PRO CA C 48 65.513 65.266 0.247 1
1 549 . 18 1 1 A 48 48 PRO CB C 48 31.712 31.684 0.028 1
1 552 . 18 1 1 A 49 49 ASN H H 49 8.559 8.991 -0.432 1
1 553 . 18 1 1 A 49 49 ASN HA H 49 4.818 4.585 0.233 1
1 558 . 18 1 1 A 49 49 ASN C C 49 175.715 175.862 -0.147 1
1 559 . 18 1 1 A 49 49 ASN CA C 49 53.372 54.268 -0.896 1
1 560 . 18 1 1 A 49 49 ASN CB C 49 37.351 37.013 0.338 1
1 561 . 18 1 1 A 49 49 ASN N N 49 114.836 115.058 -0.222 1
1 563 . 18 1 1 A 50 50 LYS H H 50 7.627 7.557 0.070 1
1 564 . 18 1 1 A 50 50 LYS HA H 50 4.480 4.318 0.162 1
1 573 . 18 1 1 A 50 50 LYS C C 50 175.079 175.886 -0.807 1
1 574 . 18 1 1 A 50 50 LYS CA C 50 53.336 55.861 -2.525 1
1 575 . 18 1 1 A 50 50 LYS CB C 50 31.284 33.045 -1.761 1
1 579 . 18 1 1 A 50 50 LYS N N 50 116.224 117.429 -1.205 1
1 580 . 18 1 1 A 51 51 ASN H H 51 7.945 8.230 -0.285 1
1 581 . 18 1 1 A 51 51 ASN HA H 51 4.304 4.408 -0.104 1
1 586 . 18 1 1 A 51 51 ASN C C 51 175.195 175.581 -0.386 1
1 587 . 18 1 1 A 51 51 ASN CA C 51 54.089 53.901 0.188 1
1 588 . 18 1 1 A 51 51 ASN CB C 51 36.504 36.960 -0.456 1
1 589 . 18 1 1 A 51 51 ASN N N 51 115.331 117.287 -1.956 1
1 591 . 18 1 1 A 52 52 LEU H H 52 8.803 7.904 0.899 1
1 592 . 18 1 1 A 52 52 LEU HA H 52 3.412 4.186 -0.774 1
1 602 . 18 1 1 A 52 52 LEU C C 52 174.674 174.959 -0.285 1
1 603 . 18 1 1 A 52 52 LEU CA C 52 53.983 54.066 -0.083 1
1 604 . 18 1 1 A 52 52 LEU CB C 52 42.471 40.613 1.858 1
1 608 . 18 1 1 A 52 52 LEU N N 52 121.765 121.342 0.423 1
1 609 . 18 1 1 A 53 53 LYS H H 53 7.099 8.252 -1.153 1
1 610 . 18 1 1 A 53 53 LYS HA H 53 4.324 4.881 -0.557 1
1 619 . 18 1 1 A 53 53 LYS C C 53 173.460 176.613 -3.153 1
1 620 . 18 1 1 A 53 53 LYS CA C 53 54.843 54.585 0.258 1
1 621 . 18 1 1 A 53 53 LYS CB C 53 36.395 35.655 0.740 1
1 625 . 18 1 1 A 53 53 LYS N N 53 124.403 125.062 -0.659 1
1 626 . 18 1 1 A 54 54 LYS H H 54 8.805 9.028 -0.223 1
1 627 . 18 1 1 A 54 54 LYS HA H 54 3.692 3.851 -0.159 1
1 636 . 18 1 1 A 54 54 LYS C C 54 173.344 175.941 -2.597 1
1 637 . 18 1 1 A 54 54 LYS CA C 54 56.366 57.727 -1.361 1
1 638 . 18 1 1 A 54 54 LYS CB C 54 29.830 30.349 -0.519 1
1 642 . 18 1 1 A 54 54 LYS N N 54 118.125 118.079 0.046 1
1 643 . 18 1 1 A 55 55 ASN H H 55 7.567 8.290 -0.723 1
1 644 . 18 1 1 A 55 55 ASN HA H 55 4.643 4.559 0.084 1
1 649 . 18 1 1 A 55 55 ASN C C 55 172.188 175.062 -2.874 1
1 650 . 18 1 1 A 55 55 ASN CA C 55 51.091 51.526 -0.435 1
1 651 . 18 1 1 A 55 55 ASN CB C 55 37.234 37.066 0.168 1
1 652 . 18 1 1 A 55 55 ASN N N 55 123.893 121.712 2.181 1
1 654 . 18 1 1 A 56 56 TYR H H 56 7.584 7.293 0.291 1
1 655 . 18 1 1 A 56 56 TYR HA H 56 4.892 5.071 -0.179 1
1 662 . 18 1 1 A 56 56 TYR C C 56 177.276 176.122 1.154 1
1 663 . 18 1 1 A 56 56 TYR CA C 56 54.447 58.172 -3.725 1
1 664 . 18 1 1 A 56 56 TYR CB C 56 38.633 39.638 -1.005 1
1 669 . 18 1 1 A 56 56 TYR N N 56 115.237 120.014 -4.777 1
1 670 . 18 1 1 A 57 57 CYS H H 57 9.149 8.994 0.155 1
1 671 . 18 1 1 A 57 57 CYS HA H 57 4.398 4.849 -0.451 1
1 674 . 18 1 1 A 57 57 CYS C C 57 175.600 174.488 1.112 1
1 675 . 18 1 1 A 57 57 CYS CA C 57 59.824 56.798 3.026 1
1 676 . 18 1 1 A 57 57 CYS CB C 57 48.356 42.511 5.845 1
1 677 . 18 1 1 A 57 57 CYS N N 57 119.273 122.636 -3.363 1
1 678 . 18 1 1 A 58 58 ARG H H 58 9.138 8.459 0.679 1
1 679 . 18 1 1 A 58 58 ARG HA H 58 4.918 5.104 -0.186 1
1 687 . 18 1 1 A 58 58 ARG C C 58 173.576 174.509 -0.933 1
1 688 . 18 1 1 A 58 58 ARG CA C 58 53.187 54.352 -1.165 1
1 689 . 18 1 1 A 58 58 ARG CB C 58 29.412 34.504 -5.092 1
1 692 . 18 1 1 A 58 58 ARG N N 58 122.881 125.182 -2.301 1
1 694 . 18 1 1 A 59 59 ASN H H 59 8.868 8.572 0.296 1
1 695 . 18 1 1 A 59 59 ASN HA H 59 5.513 5.029 0.484 1
1 700 . 18 1 1 A 59 59 ASN C C 59 172.824 174.343 -1.519 1
1 701 . 18 1 1 A 59 59 ASN CA C 59 53.176 50.081 3.095 1
1 702 . 18 1 1 A 59 59 ASN CB C 59 37.237 39.014 -1.777 1
1 703 . 18 1 1 A 59 59 ASN N N 59 113.603 119.451 -5.848 1
1 705 . 18 1 1 A 60 60 PRO HA H 60 4.712 4.284 0.428 1
1 712 . 18 1 1 A 60 60 PRO C C 60 175.715 177.627 -1.912 1
1 713 . 18 1 1 A 60 60 PRO CA C 60 63.643 64.316 -0.673 1
1 714 . 18 1 1 A 60 60 PRO CB C 60 32.507 31.473 1.034 1
1 717 . 18 1 1 A 61 61 ASP H H 61 8.883 7.894 0.989 1
1 718 . 18 1 1 A 61 61 ASP HA H 61 4.495 4.489 0.006 1
1 721 . 18 1 1 A 61 61 ASP C C 61 174.848 175.769 -0.921 1
1 722 . 18 1 1 A 61 61 ASP CA C 61 51.953 55.020 -3.067 1
1 723 . 18 1 1 A 61 61 ASP CB C 61 42.092 40.936 1.156 1
1 724 . 18 1 1 A 61 61 ASP N N 61 118.660 116.961 1.699 1
1 725 . 18 1 1 A 62 62 ARG H H 62 8.395 7.486 0.909 1
1 726 . 18 1 1 A 62 62 ARG HA H 62 3.789 3.857 -0.068 1
1 734 . 18 1 1 A 62 62 ARG C C 62 176.236 174.645 1.591 1
1 735 . 18 1 1 A 62 62 ARG CA C 62 57.318 56.997 0.321 1
1 736 . 18 1 1 A 62 62 ARG CB C 62 26.990 27.567 -0.577 1
1 739 . 18 1 1 A 62 62 ARG N N 62 116.013 115.382 0.631 1
1 741 . 18 1 1 A 63 63 ASP H H 63 9.735 7.888 1.847 1
1 742 . 18 1 1 A 63 63 ASP HA H 63 4.769 4.734 0.035 1
1 745 . 18 1 1 A 63 63 ASP C C 63 177.334 176.199 1.135 1
1 746 . 18 1 1 A 63 63 ASP CA C 63 51.973 52.635 -0.662 1
1 747 . 18 1 1 A 63 63 ASP CB C 63 42.698 43.148 -0.450 1
1 748 . 18 1 1 A 63 63 ASP N N 63 121.799 117.865 3.934 1
1 749 . 18 1 1 A 64 64 LEU H H 64 10.919 8.755 2.164 1
1 750 . 18 1 1 A 64 64 LEU HA H 64 3.995 4.449 -0.454 1
1 760 . 18 1 1 A 64 64 LEU C C 64 176.467 176.883 -0.416 1
1 761 . 18 1 1 A 64 64 LEU CA C 64 57.772 55.696 2.076 1
1 762 . 18 1 1 A 64 64 LEU CB C 64 43.630 43.267 0.363 1
1 766 . 18 1 1 A 64 64 LEU N N 64 121.789 121.852 -0.063 1
1 767 . 18 1 1 A 65 65 ARG H H 65 7.633 7.888 -0.255 1
1 768 . 18 1 1 A 65 65 ARG HA H 65 5.006 4.844 0.162 1
1 776 . 18 1 1 A 65 65 ARG C C 65 172.130 173.886 -1.756 1
1 777 . 18 1 1 A 65 65 ARG CA C 65 53.368 53.914 -0.546 1
1 778 . 18 1 1 A 65 65 ARG CB C 65 28.429 33.606 -5.177 1
1 781 . 18 1 1 A 65 65 ARG N N 65 108.790 119.315 -10.525 1
1 783 . 18 1 1 A 66 66 PRO HA H 66 4.281 4.688 -0.407 1
1 790 . 18 1 1 A 66 66 PRO C C 66 172.940 176.063 -3.123 1
1 791 . 18 1 1 A 66 66 PRO CA C 66 63.677 63.321 0.356 1
1 792 . 18 1 1 A 66 66 PRO CB C 66 32.592 32.784 -0.192 1
1 795 . 18 1 1 A 67 67 TRP H H 67 8.716 8.407 0.309 1
1 796 . 18 1 1 A 67 67 TRP HA H 67 5.406 5.352 0.054 1
1 805 . 18 1 1 A 67 67 TRP C C 67 172.919 173.865 -0.946 1
1 806 . 18 1 1 A 67 67 TRP CA C 67 56.035 55.358 0.677 1
1 807 . 18 1 1 A 67 67 TRP CB C 67 34.026 31.877 2.149 1
1 813 . 18 1 1 A 67 67 TRP N N 67 121.250 117.829 3.421 1
1 815 . 18 1 1 A 68 68 CYS H H 68 8.384 9.112 -0.728 1
1 816 . 18 1 1 A 68 68 CYS HA H 68 4.265 4.651 -0.386 1
1 819 . 18 1 1 A 68 68 CYS C C 68 175.079 172.925 2.154 1
1 820 . 18 1 1 A 68 68 CYS CA C 68 55.876 55.286 0.590 1
1 821 . 18 1 1 A 68 68 CYS CB C 68 42.232 45.937 -3.705 1
1 822 . 18 1 1 A 68 68 CYS N N 68 109.624 117.337 -7.713 1
1 823 . 18 1 1 A 69 69 PHE H H 69 8.031 8.289 -0.258 1
1 824 . 18 1 1 A 69 69 PHE HA H 69 5.420 4.954 0.466 1
1 832 . 18 1 1 A 69 69 PHE C C 69 176.814 175.624 1.190 1
1 833 . 18 1 1 A 69 69 PHE CA C 69 59.299 57.918 1.381 1
1 834 . 18 1 1 A 69 69 PHE CB C 69 38.411 39.606 -1.195 1
1 840 . 18 1 1 A 69 69 PHE N N 69 120.433 121.443 -1.010 1
1 841 . 18 1 1 A 70 70 THR H H 70 8.002 8.511 -0.509 1
1 842 . 18 1 1 A 70 70 THR HA H 70 5.408 4.978 0.430 1
1 848 . 18 1 1 A 70 70 THR C C 70 173.518 174.816 -1.298 1
1 849 . 18 1 1 A 70 70 THR CA C 70 61.208 59.990 1.218 1
1 850 . 18 1 1 A 70 70 THR CB C 70 70.441 70.477 -0.036 1
1 852 . 18 1 1 A 70 70 THR N N 70 112.351 113.986 -1.635 1
1 853 . 18 1 1 A 71 71 THR H H 71 8.126 8.446 -0.320 1
1 854 . 18 1 1 A 71 71 THR HA H 71 4.037 4.576 -0.539 1
1 860 . 18 1 1 A 71 71 THR C C 71 174.903 173.783 1.120 1
1 861 . 18 1 1 A 71 71 THR CA C 71 62.413 63.182 -0.769 1
1 862 . 18 1 1 A 71 71 THR CB C 71 69.167 69.273 -0.106 1
1 864 . 18 1 1 A 71 71 THR N N 71 104.863 116.421 -11.558 1
1 865 . 18 1 1 A 72 72 ASP H H 72 9.024 7.870 1.154 1
1 866 . 18 1 1 A 72 72 ASP HA H 72 4.936 4.939 -0.003 1
1 869 . 18 1 1 A 72 72 ASP C C 72 176.929 176.021 0.908 1
1 870 . 18 1 1 A 72 72 ASP CA C 72 51.333 52.003 -0.670 1
1 871 . 18 1 1 A 72 72 ASP CB C 72 43.416 42.365 1.051 1
1 872 . 18 1 1 A 72 72 ASP N N 72 126.242 122.391 3.851 1
1 873 . 18 1 1 A 73 73 PRO HA H 73 3.962 4.343 -0.381 1
1 880 . 18 1 1 A 73 73 PRO C C 73 177.045 178.045 -1.000 1
1 881 . 18 1 1 A 73 73 PRO CA C 73 64.632 65.415 -0.783 1
1 882 . 18 1 1 A 73 73 PRO CB C 73 32.460 31.936 0.524 1
1 885 . 18 1 1 A 74 74 ASN H H 74 8.943 8.261 0.682 1
1 886 . 18 1 1 A 74 74 ASN HA H 74 4.854 4.626 0.228 1
1 891 . 18 1 1 A 74 74 ASN C C 74 174.443 175.754 -1.311 1
1 892 . 18 1 1 A 74 74 ASN CA C 74 53.380 55.888 -2.508 1
1 893 . 18 1 1 A 74 74 ASN CB C 74 39.333 39.136 0.197 1
1 894 . 18 1 1 A 74 74 ASN N N 74 114.144 114.741 -0.597 1
1 896 . 18 1 1 A 75 75 LYS H H 75 7.795 7.513 0.282 1
1 897 . 18 1 1 A 75 75 LYS HA H 75 4.571 4.573 -0.002 1
1 906 . 18 1 1 A 75 75 LYS C C 75 173.402 175.887 -2.485 1
1 907 . 18 1 1 A 75 75 LYS CA C 75 54.154 54.820 -0.666 1
1 908 . 18 1 1 A 75 75 LYS CB C 75 32.186 33.993 -1.807 1
1 912 . 18 1 1 A 75 75 LYS N N 75 122.835 118.798 4.037 1
1 913 . 18 1 1 A 76 76 ARG H H 76 9.132 8.838 0.294 1
1 914 . 18 1 1 A 76 76 ARG HA H 76 4.555 3.509 1.046 1
1 922 . 18 1 1 A 76 76 ARG C C 76 175.137 176.020 -0.883 1
1 923 . 18 1 1 A 76 76 ARG CA C 76 60.532 57.642 2.890 1
1 924 . 18 1 1 A 76 76 ARG CB C 76 29.307 31.396 -2.089 1
1 927 . 18 1 1 A 76 76 ARG N N 76 129.676 126.945 2.731 1
1 929 . 18 1 1 A 77 77 TRP H H 77 7.559 7.603 -0.044 1
1 930 . 18 1 1 A 77 77 TRP HA H 77 5.357 5.257 0.100 1
1 939 . 18 1 1 A 77 77 TRP C C 77 172.940 174.212 -1.272 1
1 940 . 18 1 1 A 77 77 TRP CA C 77 55.044 55.630 -0.586 1
1 941 . 18 1 1 A 77 77 TRP CB C 77 31.951 32.466 -0.515 1
1 947 . 18 1 1 A 77 77 TRP N N 77 109.174 114.262 -5.088 1
1 949 . 18 1 1 A 78 78 GLU H H 78 8.638 9.021 -0.383 1
1 950 . 18 1 1 A 78 78 GLU HA H 78 3.671 4.676 -1.005 1
1 955 . 18 1 1 A 78 78 GLU C C 78 174.501 175.386 -0.885 1
1 956 . 18 1 1 A 78 78 GLU CA C 78 55.659 54.434 1.225 1
1 957 . 18 1 1 A 78 78 GLU CB C 78 34.557 33.977 0.580 1
1 959 . 18 1 1 A 78 78 GLU N N 78 118.907 119.225 -0.318 1
1 960 . 18 1 1 A 79 79 TYR H H 79 7.636 8.964 -1.328 1
1 961 . 18 1 1 A 79 79 TYR HA H 79 4.995 4.982 0.013 1
1 968 . 18 1 1 A 79 79 TYR C C 79 175.889 175.511 0.378 1
1 969 . 18 1 1 A 79 79 TYR CA C 79 60.120 58.464 1.656 1
1 970 . 18 1 1 A 79 79 TYR CB C 79 39.789 39.360 0.429 1
1 975 . 18 1 1 A 79 79 TYR N N 79 119.277 119.883 -0.606 1
1 976 . 18 1 1 A 80 80 CYS H H 80 9.398 9.206 0.192 1
1 977 . 18 1 1 A 80 80 CYS HA H 80 4.720 5.525 -0.805 1
1 980 . 18 1 1 A 80 80 CYS C C 80 172.419 171.594 0.825 1
1 981 . 18 1 1 A 80 80 CYS CA C 80 54.618 54.563 0.055 1
1 982 . 18 1 1 A 80 80 CYS CB C 80 46.736 46.007 0.729 1
1 983 . 18 1 1 A 80 80 CYS N N 80 118.623 120.415 -1.792 1
1 984 . 18 1 1 A 81 81 ASP H H 81 9.729 9.110 0.619 1
1 985 . 18 1 1 A 81 81 ASP HA H 81 4.781 5.132 -0.351 1
1 988 . 18 1 1 A 81 81 ASP C C 81 173.576 174.493 -0.917 1
1 989 . 18 1 1 A 81 81 ASP CA C 81 52.855 52.796 0.059 1
1 990 . 18 1 1 A 81 81 ASP CB C 81 40.733 41.860 -1.127 1
1 991 . 18 1 1 A 81 81 ASP N N 81 124.777 124.558 0.219 1
1 992 . 18 1 1 A 82 82 ILE H H 82 7.820 8.627 -0.807 1
1 993 . 18 1 1 A 82 82 ILE HA H 82 4.320 4.513 -0.193 1
1 1003 . 18 1 1 A 82 82 ILE C C 82 173.923 174.079 -0.156 1
1 1004 . 18 1 1 A 82 82 ILE CA C 82 56.118 57.493 -1.375 1
1 1005 . 18 1 1 A 82 82 ILE CB C 82 38.166 38.195 -0.029 1
1 1009 . 18 1 1 A 82 82 ILE N N 82 125.281 126.660 -1.379 1
1 1010 . 18 1 1 A 83 83 PRO HA H 83 4.337 4.393 -0.056 1
1 1017 . 18 1 1 A 83 83 PRO C C 83 175.167 175.800 -0.633 1
1 1018 . 18 1 1 A 83 83 PRO CA C 83 62.844 63.453 -0.609 1
1 1019 . 18 1 1 A 83 83 PRO CB C 83 32.450 32.090 0.360 1
1 1022 . 18 1 1 A 84 84 ARG H H 84 8.656 8.576 0.080 1
1 1023 . 18 1 1 A 84 84 ARG HA H 84 4.658 4.758 -0.100 1
1 1031 . 18 1 1 A 84 84 ARG C C 84 175.137 175.165 -0.028 1
1 1032 . 18 1 1 A 84 84 ARG CA C 84 55.617 54.224 1.393 1
1 1033 . 18 1 1 A 84 84 ARG CB C 84 30.482 33.154 -2.672 1
1 1036 . 18 1 1 A 84 84 ARG N N 84 122.316 122.555 -0.239 1
1 1038 . 18 1 1 A 85 85 CYS H H 85 8.783 8.959 -0.176 1
1 1039 . 18 1 1 A 85 85 CYS HA H 85 4.479 5.063 -0.584 1
1 1042 . 18 1 1 A 85 85 CYS C C 85 174.906 174.902 0.004 1
1 1043 . 18 1 1 A 85 85 CYS CA C 85 54.177 54.993 -0.816 1
1 1044 . 18 1 1 A 85 85 CYS CB C 85 39.574 43.502 -3.928 1
1 1045 . 18 1 1 A 85 85 CYS N N 85 124.002 121.907 2.095 1
1 1046 . 18 1 1 A 86 86 ALA H H 86 8.746 8.564 0.182 1
1 1047 . 18 1 1 A 86 86 ALA HA H 86 4.255 4.633 -0.378 1
1 1051 . 18 1 1 A 86 86 ALA C C 86 176.236 176.680 -0.444 1
1 1052 . 18 1 1 A 86 86 ALA CA C 86 53.067 51.009 2.058 1
1 1053 . 18 1 1 A 86 86 ALA CB C 86 19.034 20.376 -1.342 1
1 1054 . 18 1 1 A 86 86 ALA N N 86 126.444 126.269 0.175 1
1 1064 . 18 2 2 B 2 2 SER HA H 100 4.570 4.640 -0.070 1
1 1067 . 18 2 2 B 2 2 SER C C 100 174.779 175.048 -0.269 1
1 1068 . 18 2 2 B 2 2 SER CA C 100 58.624 58.451 0.173 1
1 1069 . 18 2 2 B 2 2 SER CB C 100 63.939 62.290 1.649 1
1 1070 . 18 2 2 B 3 3 VAL H H 101 8.341 7.965 0.376 1
1 1071 . 18 2 2 B 3 3 VAL HA H 101 4.151 4.545 -0.394 1
1 1079 . 18 2 2 B 3 3 VAL C C 101 176.450 176.818 -0.368 1
1 1080 . 18 2 2 B 3 3 VAL CA C 101 62.793 60.775 2.018 1
1 1081 . 18 2 2 B 3 3 VAL CB C 101 32.495 32.025 0.470 1
1 1084 . 18 2 2 B 3 3 VAL N N 101 121.954 120.016 1.938 1
1 1085 . 18 2 2 B 4 4 GLU H H 102 8.521 7.930 0.591 1
1 1086 . 18 2 2 B 4 4 GLU HA H 102 4.291 4.308 -0.017 1
1 1091 . 18 2 2 B 4 4 GLU C C 102 176.450 176.354 0.096 1
1 1092 . 18 2 2 B 4 4 GLU CA C 102 56.955 58.199 -1.244 1
1 1093 . 18 2 2 B 4 4 GLU CB C 102 30.233 31.288 -1.055 1
1 1095 . 18 2 2 B 4 4 GLU N N 102 124.722 121.588 3.134 1
1 1096 . 18 2 2 B 5 5 LYS H H 103 8.323 8.089 0.234 1
1 1097 . 18 2 2 B 5 5 LYS HA H 103 4.313 3.978 0.335 1
1 1106 . 18 2 2 B 5 5 LYS C C 103 176.784 176.543 0.241 1
1 1107 . 18 2 2 B 5 5 LYS CA C 103 56.688 57.129 -0.441 1
1 1108 . 18 2 2 B 5 5 LYS CB C 103 30.228 30.995 -0.767 1
1 1112 . 18 2 2 B 5 5 LYS N N 103 122.689 118.894 3.795 1
1 1113 . 18 2 2 B 6 6 LEU H H 104 8.369 7.792 0.577 1
1 1114 . 18 2 2 B 6 6 LEU HA H 104 4.500 4.414 0.086 1
1 1124 . 18 2 2 B 6 6 LEU C C 104 177.632 176.687 0.945 1
1 1125 . 18 2 2 B 6 6 LEU CA C 104 55.480 56.017 -0.537 1
1 1126 . 18 2 2 B 6 6 LEU CB C 104 42.587 44.428 -1.841 1
1 1130 . 18 2 2 B 6 6 LEU N N 104 123.373 117.553 5.820 1
1 1131 . 18 2 2 B 7 7 THR HA H 105 4.558 4.465 0.093 1
1 1137 . 18 2 2 B 7 7 THR C C 105 175.614 175.330 0.284 1
1 1138 . 18 2 2 B 7 7 THR CA C 105 62.000 60.575 1.425 1
1 1139 . 18 2 2 B 7 7 THR CB C 105 70.090 71.216 -1.126 1
1 1141 . 18 2 2 B 8 8 ALA H H 106 8.649 9.083 -0.434 1
1 1142 . 18 2 2 B 8 8 ALA HA H 106 4.458 4.009 0.449 1
1 1146 . 18 2 2 B 8 8 ALA C C 106 179.290 179.420 -0.130 1
1 1147 . 18 2 2 B 8 8 ALA CA C 106 55.552 55.443 0.109 1
1 1148 . 18 2 2 B 8 8 ALA CB C 106 18.704 17.950 0.754 1
1 1149 . 18 2 2 B 8 8 ALA N N 106 124.857 124.351 0.506 1
1 1150 . 18 2 2 B 9 9 ASP H H 107 8.286 8.285 0.001 1
1 1151 . 18 2 2 B 9 9 ASP HA H 107 4.457 4.430 0.027 1
1 1154 . 18 2 2 B 9 9 ASP C C 107 178.845 178.382 0.463 1
1 1155 . 18 2 2 B 9 9 ASP CA C 107 57.733 56.514 1.219 1
1 1156 . 18 2 2 B 9 9 ASP CB C 107 40.881 40.546 0.335 1
1 1157 . 18 2 2 B 9 9 ASP N N 107 115.621 119.124 -3.503 1
1 1158 . 18 2 2 B 10 10 ALA H H 108 7.887 8.045 -0.158 1
1 1159 . 18 2 2 B 10 10 ALA HA H 108 4.182 4.137 0.045 1
1 1163 . 18 2 2 B 10 10 ALA C C 108 180.906 179.273 1.633 1
1 1164 . 18 2 2 B 10 10 ALA CA C 108 55.014 55.127 -0.113 1
1 1165 . 18 2 2 B 10 10 ALA CB C 108 18.631 18.213 0.418 1
1 1166 . 18 2 2 B 10 10 ALA N N 108 122.756 122.261 0.495 1
1 1167 . 18 2 2 B 11 11 GLU H H 109 8.390 7.771 0.619 1
1 1168 . 18 2 2 B 11 11 GLU HA H 109 4.256 4.110 0.146 1
1 1173 . 18 2 2 B 11 11 GLU C C 109 178.678 178.932 -0.254 1
1 1174 . 18 2 2 B 11 11 GLU CA C 109 59.105 59.110 -0.005 1
1 1175 . 18 2 2 B 11 11 GLU CB C 109 29.559 29.444 0.115 1
1 1177 . 18 2 2 B 11 11 GLU N N 109 121.999 119.209 2.790 1
1 1178 . 18 2 2 B 12 12 LEU H H 110 8.395 8.576 -0.181 1
1 1179 . 18 2 2 B 12 12 LEU HA H 110 3.808 3.940 -0.132 1
1 1189 . 18 2 2 B 12 12 LEU C C 110 178.288 178.735 -0.447 1
1 1190 . 18 2 2 B 12 12 LEU CA C 110 58.407 57.905 0.502 1
1 1191 . 18 2 2 B 12 12 LEU CB C 110 41.329 41.542 -0.213 1
1 1195 . 18 2 2 B 12 12 LEU N N 110 119.939 120.135 -0.196 1
1 1196 . 18 2 2 B 13 13 GLN H H 111 7.761 8.209 -0.448 1
1 1197 . 18 2 2 B 13 13 GLN HA H 111 4.008 3.973 0.035 1
1 1202 . 18 2 2 B 13 13 GLN C C 111 177.954 178.492 -0.538 1
1 1203 . 18 2 2 B 13 13 GLN CA C 111 58.674 59.446 -0.772 1
1 1204 . 18 2 2 B 13 13 GLN CB C 111 28.513 28.378 0.135 1
1 1206 . 18 2 2 B 13 13 GLN N N 111 117.305 118.988 -1.683 1
1 1207 . 18 2 2 B 14 14 ARG H H 112 7.752 7.511 0.241 1
1 1208 . 18 2 2 B 14 14 ARG HA H 112 4.053 4.125 -0.072 1
1 1216 . 18 2 2 B 14 14 ARG C C 112 179.625 179.170 0.455 1
1 1217 . 18 2 2 B 14 14 ARG CA C 112 59.770 59.139 0.631 1
1 1218 . 18 2 2 B 14 14 ARG CB C 112 29.884 30.080 -0.196 1
1 1221 . 18 2 2 B 14 14 ARG N N 112 121.241 119.693 1.548 1
1 1223 . 18 2 2 B 15 15 LEU H H 113 8.478 8.570 -0.092 1
1 1224 . 18 2 2 B 15 15 LEU HA H 113 3.974 3.977 -0.003 1
1 1234 . 18 2 2 B 15 15 LEU C C 113 180.627 179.337 1.290 1
1 1235 . 18 2 2 B 15 15 LEU CA C 113 58.251 58.056 0.195 1
1 1236 . 18 2 2 B 15 15 LEU CB C 113 41.751 41.586 0.165 1
1 1240 . 18 2 2 B 15 15 LEU N N 113 120.898 119.595 1.303 1
1 1241 . 18 2 2 B 16 16 LYS H H 114 8.437 8.125 0.312 1
1 1242 . 18 2 2 B 16 16 LYS HA H 114 3.368 3.913 -0.545 1
1 1251 . 18 2 2 B 16 16 LYS C C 114 178.288 178.939 -0.651 1
1 1252 . 18 2 2 B 16 16 LYS CA C 114 60.242 58.825 1.417 1
1 1253 . 18 2 2 B 16 16 LYS CB C 114 30.249 32.067 -1.818 1
1 1257 . 18 2 2 B 16 16 LYS N N 114 123.214 121.351 1.863 1
1 1258 . 18 2 2 B 17 17 ASN H H 115 8.137 8.617 -0.480 1
1 1259 . 18 2 2 B 17 17 ASN HA H 115 4.270 4.580 -0.310 1
1 1264 . 18 2 2 B 17 17 ASN C C 115 178.288 177.608 0.680 1
1 1265 . 18 2 2 B 17 17 ASN CA C 115 56.318 56.485 -0.167 1
1 1266 . 18 2 2 B 17 17 ASN CB C 115 37.573 37.776 -0.203 1
1 1267 . 18 2 2 B 17 17 ASN N N 115 117.923 118.099 -0.176 1
1 1269 . 18 2 2 B 18 18 GLU H H 116 8.110 8.570 -0.460 1
1 1270 . 18 2 2 B 18 18 GLU HA H 116 4.146 4.015 0.131 1
1 1275 . 18 2 2 B 18 18 GLU C C 116 178.956 179.020 -0.064 1
1 1276 . 18 2 2 B 18 18 GLU CA C 116 59.659 59.654 0.005 1
1 1277 . 18 2 2 B 18 18 GLU CB C 116 29.950 29.171 0.779 1
1 1279 . 18 2 2 B 18 18 GLU N N 116 120.249 119.855 0.394 1
1 1280 . 18 2 2 B 19 19 ARG H H 117 7.925 8.215 -0.290 1
1 1281 . 18 2 2 B 19 19 ARG HA H 117 4.057 4.019 0.038 1
1 1289 . 18 2 2 B 19 19 ARG C C 117 180.070 179.101 0.969 1
1 1290 . 18 2 2 B 19 19 ARG CA C 117 59.564 59.207 0.357 1
1 1291 . 18 2 2 B 19 19 ARG CB C 117 29.879 29.867 0.012 1
1 1294 . 18 2 2 B 19 19 ARG N N 117 119.801 118.503 1.298 1
1 1296 . 18 2 2 B 20 20 HIS H H 118 8.316 7.754 0.562 1
1 1297 . 18 2 2 B 20 20 HIS HA H 118 4.574 4.327 0.247 1
1 1304 . 18 2 2 B 20 20 HIS C C 118 176.784 177.883 -1.099 1
1 1305 . 18 2 2 B 20 20 HIS CA C 118 58.397 59.156 -0.759 1
1 1306 . 18 2 2 B 20 20 HIS CB C 118 29.343 30.290 -0.947 1
1 1309 . 18 2 2 B 20 20 HIS N N 118 117.802 118.597 -0.795 1
1 1310 . 18 2 2 B 21 21 GLU H H 119 8.400 8.573 -0.173 1
1 1311 . 18 2 2 B 21 21 GLU HA H 119 4.268 3.793 0.475 1
1 1316 . 18 2 2 B 21 21 GLU C C 119 178.566 179.203 -0.637 1
1 1317 . 18 2 2 B 21 21 GLU CA C 119 59.105 59.914 -0.809 1
1 1318 . 18 2 2 B 21 21 GLU CB C 119 29.559 29.582 -0.023 1
1 1320 . 18 2 2 B 21 21 GLU N N 119 121.996 119.780 2.216 1
1 1321 . 18 2 2 B 22 22 GLU H H 120 8.285 8.802 -0.517 1
1 1322 . 18 2 2 B 22 22 GLU HA H 120 4.204 4.077 0.127 1
1 1327 . 18 2 2 B 22 22 GLU C C 120 178.288 178.866 -0.578 1
1 1328 . 18 2 2 B 22 22 GLU CA C 120 58.841 59.046 -0.205 1
1 1329 . 18 2 2 B 22 22 GLU CB C 120 29.322 29.173 0.149 1
1 1331 . 18 2 2 B 22 22 GLU N N 120 119.798 120.372 -0.574 1
1 1332 . 18 2 2 B 23 23 ALA H H 121 8.037 8.323 -0.286 1
1 1333 . 18 2 2 B 23 23 ALA HA H 121 4.270 4.141 0.129 1
1 1337 . 18 2 2 B 23 23 ALA C C 121 179.569 179.596 -0.027 1
1 1338 . 18 2 2 B 23 23 ALA CA C 121 54.158 55.032 -0.874 1
1 1339 . 18 2 2 B 23 23 ALA CB C 121 18.923 18.323 0.600 1
1 1340 . 18 2 2 B 23 23 ALA N N 121 122.418 122.070 0.348 1
1 1341 . 18 2 2 B 24 24 GLU H H 122 8.039 7.881 0.158 1
1 1342 . 18 2 2 B 24 24 GLU HA H 122 4.291 4.007 0.284 1
1 1347 . 18 2 2 B 24 24 GLU C C 122 177.954 179.036 -1.082 1
1 1348 . 18 2 2 B 24 24 GLU CA C 122 58.023 59.284 -1.261 1
1 1349 . 18 2 2 B 24 24 GLU CB C 122 29.566 30.244 -0.678 1
1 1351 . 18 2 2 B 24 24 GLU N N 122 119.517 118.441 1.076 1
1 1352 . 18 2 2 B 25 25 LEU H H 123 7.962 8.797 -0.835 1
1 1353 . 18 2 2 B 25 25 LEU HA H 123 4.226 3.987 0.239 1
1 1363 . 18 2 2 B 25 25 LEU C C 123 179.123 178.357 0.766 1
1 1364 . 18 2 2 B 25 25 LEU CA C 123 57.213 58.255 -1.042 1
1 1365 . 18 2 2 B 25 25 LEU CB C 123 41.809 41.732 0.077 1
1 1369 . 18 2 2 B 25 25 LEU N N 123 120.617 121.632 -1.015 1
1 1370 . 18 2 2 B 26 26 GLU H H 124 8.093 8.468 -0.375 1
1 1371 . 18 2 2 B 26 26 GLU HA H 124 4.140 3.828 0.312 1
1 1376 . 18 2 2 B 26 26 GLU C C 124 177.954 178.910 -0.956 1
1 1377 . 18 2 2 B 26 26 GLU CA C 124 58.095 59.957 -1.862 1
1 1378 . 18 2 2 B 26 26 GLU CB C 124 29.910 29.114 0.796 1
1 1380 . 18 2 2 B 26 26 GLU N N 124 119.473 118.696 0.777 1
1 1381 . 18 2 2 B 27 27 ARG H H 125 7.954 8.002 -0.048 1
1 1382 . 18 2 2 B 27 27 ARG HA H 125 4.210 4.126 0.084 1
1 1390 . 18 2 2 B 27 27 ARG C C 125 177.619 178.340 -0.721 1
1 1391 . 18 2 2 B 27 27 ARG CA C 125 57.677 58.655 -0.978 1
1 1392 . 18 2 2 B 27 27 ARG CB C 125 30.374 30.097 0.277 1
1 1395 . 18 2 2 B 27 27 ARG N N 125 120.670 120.119 0.551 1
1 1397 . 18 2 2 B 28 28 LEU H H 126 8.038 7.915 0.123 1
1 1398 . 18 2 2 B 28 28 LEU HA H 126 4.270 4.248 0.022 1
1 1408 . 18 2 2 B 28 28 LEU C C 126 178.065 178.111 -0.046 1
1 1409 . 18 2 2 B 28 28 LEU CA C 126 56.096 56.815 -0.719 1
1 1410 . 18 2 2 B 28 28 LEU CB C 126 42.252 42.907 -0.655 1
1 1414 . 18 2 2 B 28 28 LEU N N 126 120.818 120.481 0.337 1
1 1415 . 18 2 2 B 29 29 LYS H H 127 7.944 8.602 -0.658 1
1 1416 . 18 2 2 B 29 29 LYS HA H 127 4.270 3.953 0.317 1
1 1425 . 18 2 2 B 29 29 LYS C C 127 176.951 176.178 0.773 1
1 1426 . 18 2 2 B 29 29 LYS CA C 127 57.168 59.159 -1.991 1
1 1427 . 18 2 2 B 29 29 LYS CB C 127 32.755 32.104 0.651 1
1 1431 . 18 2 2 B 29 29 LYS N N 127 119.960 119.785 0.175 1
1 1432 . 18 2 2 B 30 30 SER H H 128 8.030 7.886 0.144 1
1 1433 . 18 2 2 B 30 30 SER HA H 128 4.466 3.857 0.609 1
1 1436 . 18 2 2 B 30 30 SER C C 128 176.101 173.004 3.097 1
1 1437 . 18 2 2 B 30 30 SER CA C 128 58.590 59.581 -0.991 1
1 1438 . 18 2 2 B 30 30 SER CB C 128 63.939 61.151 2.788 1
1 1439 . 18 2 2 B 30 30 SER N N 128 115.496 113.679 1.817 1
1 1440 . 18 2 2 B 31 31 GLU H H 129 8.157 7.539 0.618 1
1 1441 . 18 2 2 B 31 31 GLU HA H 129 4.291 4.524 -0.233 1
1 1446 . 18 2 2 B 31 31 GLU C C 129 175.112 174.933 0.179 1
1 1447 . 18 2 2 B 31 31 GLU CA C 129 56.654 55.205 1.449 1
1 1448 . 18 2 2 B 31 31 GLU CB C 129 30.389 31.557 -1.168 1
1 1450 . 18 2 2 B 31 31 GLU N N 129 122.569 119.707 2.862 1
1 1 . 19 1 1 A 2 2 VAL H H 2 7.944 8.237 -0.293 1
1 2 . 19 1 1 A 2 2 VAL HA H 2 4.035 4.396 -0.361 1
1 10 . 19 1 1 A 2 2 VAL C C 2 174.807 175.033 -0.226 1
1 11 . 19 1 1 A 2 2 VAL CA C 2 61.947 62.953 -1.006 1
1 12 . 19 1 1 A 2 2 VAL CB C 2 33.175 35.236 -2.061 1
1 15 . 19 1 1 A 2 2 VAL N N 2 123.960 117.937 6.023 1
1 16 . 19 1 1 A 3 3 GLU H H 3 8.465 8.107 0.358 1
1 17 . 19 1 1 A 3 3 GLU HA H 3 4.168 4.844 -0.676 1
1 22 . 19 1 1 A 3 3 GLU C C 3 175.888 175.307 0.581 1
1 23 . 19 1 1 A 3 3 GLU CA C 3 56.487 55.242 1.245 1
1 24 . 19 1 1 A 3 3 GLU CB C 3 30.349 31.256 -0.907 1
1 26 . 19 1 1 A 3 3 GLU N N 3 125.549 121.529 4.020 1
1 27 . 19 1 1 A 4 4 PHE H H 4 8.330 9.095 -0.765 1
1 28 . 19 1 1 A 4 4 PHE HA H 4 4.651 4.792 -0.141 1
1 36 . 19 1 1 A 4 4 PHE C C 4 175.550 174.864 0.686 1
1 37 . 19 1 1 A 4 4 PHE CA C 4 57.827 56.520 1.307 1
1 38 . 19 1 1 A 4 4 PHE CB C 4 39.623 39.439 0.184 1
1 44 . 19 1 1 A 4 4 PHE N N 4 121.869 123.639 -1.770 1
1 45 . 19 1 1 A 5 5 SER H H 5 8.177 8.475 -0.298 1
1 46 . 19 1 1 A 5 5 SER HA H 5 4.395 4.581 -0.186 1
1 49 . 19 1 1 A 5 5 SER C C 5 173.996 174.185 -0.189 1
1 50 . 19 1 1 A 5 5 SER CA C 5 58.045 58.848 -0.803 1
1 51 . 19 1 1 A 5 5 SER CB C 5 64.050 64.100 -0.050 1
1 52 . 19 1 1 A 5 5 SER N N 5 117.865 122.266 -4.401 1
1 53 . 19 1 1 A 6 6 GLU H H 6 8.425 7.204 1.221 1
1 54 . 19 1 1 A 6 6 GLU HA H 6 4.290 4.266 0.024 1
1 59 . 19 1 1 A 6 6 GLU C C 6 176.699 175.287 1.412 1
1 60 . 19 1 1 A 6 6 GLU CA C 6 56.479 55.707 0.772 1
1 61 . 19 1 1 A 6 6 GLU CB C 6 30.715 28.253 2.462 1
1 63 . 19 1 1 A 6 6 GLU N N 6 122.791 121.328 1.463 1
1 64 . 19 1 1 A 7 7 GLU H H 7 8.421 8.144 0.277 1
1 65 . 19 1 1 A 7 7 GLU HA H 7 4.742 4.718 0.024 1
1 70 . 19 1 1 A 7 7 GLU C C 7 175.145 174.809 0.336 1
1 71 . 19 1 1 A 7 7 GLU CA C 7 55.617 55.420 0.197 1
1 72 . 19 1 1 A 7 7 GLU CB C 7 29.095 30.564 -1.469 1
1 74 . 19 1 1 A 7 7 GLU N N 7 122.775 124.643 -1.868 1
1 75 . 19 1 1 A 8 8 CYS H H 8 7.917 8.726 -0.809 1
1 76 . 19 1 1 A 8 8 CYS HA H 8 4.969 5.852 -0.883 1
1 79 . 19 1 1 A 8 8 CYS C C 8 171.610 173.012 -1.402 1
1 80 . 19 1 1 A 8 8 CYS CA C 8 53.880 54.437 -0.557 1
1 81 . 19 1 1 A 8 8 CYS CB C 8 43.144 45.595 -2.451 1
1 82 . 19 1 1 A 8 8 CYS N N 8 115.067 121.496 -6.429 1
1 83 . 19 1 1 A 9 9 MET H H 9 9.379 9.333 0.046 1
1 84 . 19 1 1 A 9 9 MET HA H 9 5.049 5.183 -0.134 1
1 89 . 19 1 1 A 9 9 MET C C 9 174.038 174.891 -0.853 1
1 90 . 19 1 1 A 9 9 MET CA C 9 53.312 54.752 -1.440 1
1 91 . 19 1 1 A 9 9 MET CB C 9 36.165 35.232 0.933 1
1 93 . 19 1 1 A 9 9 MET N N 9 117.763 122.273 -4.510 1
1 94 . 19 1 1 A 10 10 HIS H H 10 9.610 8.607 1.003 1
1 95 . 19 1 1 A 10 10 HIS HA H 10 4.877 4.577 0.300 1
1 102 . 19 1 1 A 10 10 HIS C C 10 176.698 175.392 1.306 1
1 103 . 19 1 1 A 10 10 HIS CA C 10 55.016 56.296 -1.280 1
1 104 . 19 1 1 A 10 10 HIS CB C 10 31.116 30.240 0.876 1
1 107 . 19 1 1 A 10 10 HIS N N 10 124.293 122.484 1.809 1
1 108 . 19 1 1 A 11 11 GLY H H 11 9.249 9.141 0.108 1
1 109 . 19 1 1 A 11 11 GLY HA2 H 11 4.104 3.582 0.522 1
1 110 . 19 1 1 A 11 11 GLY HA3 H 11 3.843 3.675 0.168 1
1 111 . 19 1 1 A 11 11 GLY C C 11 174.559 174.961 -0.402 1
1 112 . 19 1 1 A 11 11 GLY CA C 11 47.652 47.157 0.495 1
1 113 . 19 1 1 A 11 11 GLY N N 11 115.224 116.417 -1.193 1
1 114 . 19 1 1 A 12 12 SER H H 12 8.999 8.653 0.346 1
1 115 . 19 1 1 A 12 12 SER HA H 12 4.653 4.501 0.152 1
1 118 . 19 1 1 A 12 12 SER C C 12 176.178 174.682 1.496 1
1 119 . 19 1 1 A 12 12 SER CA C 12 57.731 58.613 -0.882 1
1 120 . 19 1 1 A 12 12 SER CB C 12 63.439 63.959 -0.520 1
1 121 . 19 1 1 A 12 12 SER N N 12 121.965 121.993 -0.028 1
1 122 . 19 1 1 A 13 13 GLY H H 13 9.022 7.792 1.230 1
1 123 . 19 1 1 A 13 13 GLY HA2 H 13 4.052 3.959 0.093 1
1 124 . 19 1 1 A 13 13 GLY HA3 H 13 3.957 4.043 -0.086 1
1 125 . 19 1 1 A 13 13 GLY C C 13 176.178 175.176 1.002 1
1 126 . 19 1 1 A 13 13 GLY CA C 13 47.972 46.451 1.521 1
1 127 . 19 1 1 A 13 13 GLY N N 13 109.294 109.147 0.147 1
1 128 . 19 1 1 A 14 14 GLU H H 14 9.552 8.207 1.345 1
1 129 . 19 1 1 A 14 14 GLU HA H 14 4.347 4.452 -0.105 1
1 134 . 19 1 1 A 14 14 GLU C C 14 177.045 177.872 -0.827 1
1 135 . 19 1 1 A 14 14 GLU CA C 14 60.282 58.916 1.366 1
1 136 . 19 1 1 A 14 14 GLU CB C 14 29.145 29.678 -0.533 1
1 138 . 19 1 1 A 14 14 GLU N N 14 123.736 121.895 1.841 1
1 139 . 19 1 1 A 15 15 ASN H H 15 8.425 7.900 0.525 1
1 140 . 19 1 1 A 15 15 ASN HA H 15 5.030 4.809 0.221 1
1 144 . 19 1 1 A 15 15 ASN C C 15 174.848 175.153 -0.305 1
1 145 . 19 1 1 A 15 15 ASN CA C 15 51.725 53.514 -1.789 1
1 146 . 19 1 1 A 15 15 ASN CB C 15 38.404 38.468 -0.064 1
1 147 . 19 1 1 A 15 15 ASN N N 15 112.918 115.761 -2.843 1
1 150 . 19 1 1 A 16 16 TYR H H 16 7.622 7.834 -0.212 1
1 151 . 19 1 1 A 16 16 TYR HA H 16 4.445 4.884 -0.439 1
1 159 . 19 1 1 A 16 16 TYR C C 16 175.773 175.404 0.369 1
1 160 . 19 1 1 A 16 16 TYR CA C 16 60.125 56.927 3.198 1
1 161 . 19 1 1 A 16 16 TYR CB C 16 38.590 38.487 0.103 1
1 166 . 19 1 1 A 16 16 TYR N N 16 121.437 122.929 -1.492 1
1 167 . 19 1 1 A 17 17 ASP H H 17 8.722 8.844 -0.122 1
1 168 . 19 1 1 A 17 17 ASP HA H 17 4.599 4.660 -0.061 1
1 171 . 19 1 1 A 17 17 ASP C C 17 175.748 176.121 -0.373 1
1 172 . 19 1 1 A 17 17 ASP CA C 17 52.327 53.126 -0.799 1
1 173 . 19 1 1 A 17 17 ASP CB C 17 42.265 40.926 1.339 1
1 174 . 19 1 1 A 17 17 ASP N N 17 130.345 128.983 1.362 1
1 175 . 19 1 1 A 18 18 GLY H H 18 4.504 6.986 -2.482 1
1 176 . 19 1 1 A 18 18 GLY HA2 H 18 4.092 3.440 0.652 1
1 177 . 19 1 1 A 18 18 GLY HA3 H 18 3.786 3.751 0.035 1
1 178 . 19 1 1 A 18 18 GLY C C 18 174.732 172.557 2.175 1
1 179 . 19 1 1 A 18 18 GLY CA C 18 44.739 44.230 0.509 1
1 180 . 19 1 1 A 18 18 GLY N N 18 104.445 107.508 -3.063 1
1 181 . 19 1 1 A 19 19 LYS H H 19 9.272 8.363 0.909 1
1 182 . 19 1 1 A 19 19 LYS HA H 19 3.248 3.855 -0.607 1
1 191 . 19 1 1 A 19 19 LYS C C 19 176.409 174.699 1.710 1
1 192 . 19 1 1 A 19 19 LYS CA C 19 55.454 54.786 0.668 1
1 193 . 19 1 1 A 19 19 LYS CB C 19 32.499 32.445 0.054 1
1 197 . 19 1 1 A 19 19 LYS N N 19 117.569 120.624 -3.055 1
1 198 . 19 1 1 A 20 20 ILE H H 20 7.559 8.655 -1.096 1
1 199 . 19 1 1 A 20 20 ILE HA H 20 3.991 5.009 -1.018 1
1 209 . 19 1 1 A 20 20 ILE C C 20 176.756 175.615 1.141 1
1 210 . 19 1 1 A 20 20 ILE CA C 20 64.261 59.284 4.977 1
1 211 . 19 1 1 A 20 20 ILE CB C 20 36.212 41.361 -5.149 1
1 215 . 19 1 1 A 20 20 ILE N N 20 122.778 124.662 -1.884 1
1 216 . 19 1 1 A 21 21 SER H H 21 8.817 8.873 -0.056 1
1 217 . 19 1 1 A 21 21 SER HA H 21 5.128 5.134 -0.006 1
1 220 . 19 1 1 A 21 21 SER C C 21 172.708 173.904 -1.196 1
1 221 . 19 1 1 A 21 21 SER CA C 21 57.513 57.344 0.169 1
1 222 . 19 1 1 A 21 21 SER CB C 21 65.126 64.941 0.185 1
1 223 . 19 1 1 A 21 21 SER N N 21 122.859 121.024 1.835 1
1 224 . 19 1 1 A 22 22 LYS H H 22 7.150 7.742 -0.592 1
1 225 . 19 1 1 A 22 22 LYS HA H 22 5.530 5.396 0.134 1
1 234 . 19 1 1 A 22 22 LYS C C 22 176.120 176.295 -0.175 1
1 235 . 19 1 1 A 22 22 LYS CA C 22 53.471 54.622 -1.151 1
1 236 . 19 1 1 A 22 22 LYS CB C 22 37.049 35.724 1.325 1
1 240 . 19 1 1 A 22 22 LYS N N 22 119.681 121.052 -1.371 1
1 241 . 19 1 1 A 23 23 THR H H 23 9.134 8.971 0.163 1
1 242 . 19 1 1 A 23 23 THR HA H 23 4.630 4.779 -0.149 1
1 248 . 19 1 1 A 23 23 THR C C 23 177.971 175.998 1.973 1
1 249 . 19 1 1 A 23 23 THR CA C 23 61.032 60.562 0.470 1
1 250 . 19 1 1 A 23 23 THR CB C 23 70.818 71.216 -0.398 1
1 252 . 19 1 1 A 23 23 THR N N 23 111.072 113.900 -2.828 1
1 253 . 19 1 1 A 24 24 MET H H 24 9.383 9.054 0.329 1
1 254 . 19 1 1 A 24 24 MET HA H 24 4.168 4.281 -0.113 1
1 259 . 19 1 1 A 24 24 MET C C 24 176.122 177.563 -1.441 1
1 260 . 19 1 1 A 24 24 MET CA C 24 58.704 57.685 1.019 1
1 261 . 19 1 1 A 24 24 MET CB C 24 32.546 32.460 0.086 1
1 263 . 19 1 1 A 24 24 MET N N 24 118.120 119.799 -1.679 1
1 264 . 19 1 1 A 25 25 SER H H 25 7.763 7.807 -0.044 1
1 265 . 19 1 1 A 25 25 SER HA H 25 4.575 4.550 0.025 1
1 269 . 19 1 1 A 25 25 SER C C 25 174.848 174.843 0.005 1
1 270 . 19 1 1 A 25 25 SER CA C 25 58.895 58.587 0.308 1
1 271 . 19 1 1 A 25 25 SER CB C 25 62.844 63.705 -0.861 1
1 272 . 19 1 1 A 25 25 SER N N 25 113.626 113.644 -0.018 1
1 273 . 19 1 1 A 26 26 GLY H H 26 8.136 8.048 0.088 1
1 274 . 19 1 1 A 26 26 GLY HA2 H 26 4.305 3.923 0.382 1
1 275 . 19 1 1 A 26 26 GLY HA3 H 26 3.503 3.929 -0.426 1
1 276 . 19 1 1 A 26 26 GLY C C 26 174.212 174.612 -0.400 1
1 277 . 19 1 1 A 26 26 GLY CA C 26 45.125 45.688 -0.563 1
1 278 . 19 1 1 A 26 26 GLY N N 26 110.819 110.455 0.364 1
1 279 . 19 1 1 A 27 27 LEU H H 27 7.183 8.048 -0.865 1
1 280 . 19 1 1 A 27 27 LEU HA H 27 4.319 4.480 -0.161 1
1 290 . 19 1 1 A 27 27 LEU C C 27 176.178 176.499 -0.321 1
1 291 . 19 1 1 A 27 27 LEU CA C 27 54.211 54.659 -0.448 1
1 292 . 19 1 1 A 27 27 LEU CB C 27 42.260 42.659 -0.399 1
1 296 . 19 1 1 A 27 27 LEU N N 27 120.765 122.628 -1.863 1
1 297 . 19 1 1 A 28 28 GLU H H 28 8.699 8.702 -0.003 1
1 298 . 19 1 1 A 28 28 GLU HA H 28 4.506 4.393 0.113 1
1 303 . 19 1 1 A 28 28 GLU C C 28 177.161 176.584 0.577 1
1 304 . 19 1 1 A 28 28 GLU CA C 28 56.451 56.157 0.294 1
1 305 . 19 1 1 A 28 28 GLU CB C 28 30.018 30.695 -0.677 1
1 307 . 19 1 1 A 28 28 GLU N N 28 122.582 120.776 1.806 1
1 308 . 19 1 1 A 29 29 CYS H H 29 8.624 9.003 -0.379 1
1 309 . 19 1 1 A 29 29 CYS HA H 29 4.812 4.878 -0.066 1
1 312 . 19 1 1 A 29 29 CYS C C 29 177.045 173.194 3.851 1
1 313 . 19 1 1 A 29 29 CYS CA C 29 55.189 56.440 -1.251 1
1 314 . 19 1 1 A 29 29 CYS CB C 29 37.938 42.880 -4.942 1
1 315 . 19 1 1 A 29 29 CYS N N 29 125.564 123.810 1.754 1
1 316 . 19 1 1 A 30 30 GLN H H 30 9.664 9.107 0.557 1
1 317 . 19 1 1 A 30 30 GLN HA H 30 3.841 4.531 -0.690 1
1 324 . 19 1 1 A 30 30 GLN C C 30 175.310 175.939 -0.629 1
1 325 . 19 1 1 A 30 30 GLN CA C 30 55.501 54.769 0.732 1
1 326 . 19 1 1 A 30 30 GLN CB C 30 29.943 30.410 -0.467 1
1 328 . 19 1 1 A 30 30 GLN N N 30 127.687 124.642 3.045 1
1 330 . 19 1 1 A 31 31 ALA H H 31 8.728 8.799 -0.071 1
1 331 . 19 1 1 A 31 31 ALA HA H 31 4.052 4.431 -0.379 1
1 335 . 19 1 1 A 31 31 ALA C C 31 178.722 178.662 0.060 1
1 336 . 19 1 1 A 31 31 ALA CA C 31 52.327 52.847 -0.520 1
1 337 . 19 1 1 A 31 31 ALA CB C 31 18.034 19.653 -1.619 1
1 338 . 19 1 1 A 31 31 ALA N N 31 128.680 128.589 0.091 1
1 339 . 19 1 1 A 32 32 TRP H H 32 7.703 8.511 -0.808 1
1 340 . 19 1 1 A 32 32 TRP HA H 32 4.244 4.556 -0.312 1
1 349 . 19 1 1 A 32 32 TRP C C 32 177.566 178.669 -1.103 1
1 350 . 19 1 1 A 32 32 TRP CA C 32 59.531 59.412 0.119 1
1 351 . 19 1 1 A 32 32 TRP CB C 32 29.953 29.191 0.762 1
1 357 . 19 1 1 A 32 32 TRP N N 32 123.505 124.438 -0.933 1
1 359 . 19 1 1 A 33 33 ASP H H 33 8.797 8.282 0.515 1
1 360 . 19 1 1 A 33 33 ASP HA H 33 4.634 4.548 0.086 1
1 363 . 19 1 1 A 33 33 ASP C C 33 175.831 176.503 -0.672 1
1 364 . 19 1 1 A 33 33 ASP CA C 33 54.398 56.578 -2.180 1
1 365 . 19 1 1 A 33 33 ASP CB C 33 40.707 40.883 -0.176 1
1 366 . 19 1 1 A 33 33 ASP N N 33 113.424 120.898 -7.474 1
1 367 . 19 1 1 A 34 34 SER H H 34 8.039 7.931 0.108 1
1 368 . 19 1 1 A 34 34 SER HA H 34 4.737 4.666 0.071 1
1 372 . 19 1 1 A 34 34 SER C C 34 174.096 175.189 -1.093 1
1 373 . 19 1 1 A 34 34 SER CA C 34 56.454 57.264 -0.810 1
1 374 . 19 1 1 A 34 34 SER CB C 34 65.137 64.588 0.549 1
1 375 . 19 1 1 A 34 34 SER N N 34 114.429 115.288 -0.859 1
1 376 . 19 1 1 A 35 35 GLN H H 35 8.387 8.585 -0.198 1
1 377 . 19 1 1 A 35 35 GLN HA H 35 4.426 4.294 0.132 1
1 384 . 19 1 1 A 35 35 GLN C C 35 173.518 174.248 -0.730 1
1 385 . 19 1 1 A 35 35 GLN CA C 35 54.020 55.876 -1.856 1
1 386 . 19 1 1 A 35 35 GLN CB C 35 28.804 29.074 -0.270 1
1 388 . 19 1 1 A 35 35 GLN N N 35 123.700 125.322 -1.622 1
1 390 . 19 1 1 A 36 36 SER H H 36 7.746 7.194 0.552 1
1 391 . 19 1 1 A 36 36 SER HA H 36 4.466 4.772 -0.306 1
1 395 . 19 1 1 A 36 36 SER C C 36 172.824 173.553 -0.729 1
1 396 . 19 1 1 A 36 36 SER CA C 36 54.749 55.188 -0.439 1
1 397 . 19 1 1 A 36 36 SER CB C 36 65.162 64.588 0.574 1
1 398 . 19 1 1 A 36 36 SER N N 36 112.974 115.828 -2.854 1
1 399 . 19 1 1 A 37 37 PRO HA H 37 4.382 4.459 -0.077 1
1 406 . 19 1 1 A 37 37 PRO C C 37 176.351 176.027 0.324 1
1 407 . 19 1 1 A 37 37 PRO CA C 37 64.110 63.659 0.451 1
1 408 . 19 1 1 A 37 37 PRO CB C 37 33.670 31.797 1.873 1
1 411 . 19 1 1 A 38 38 HIS H H 38 8.764 7.158 1.606 1
1 412 . 19 1 1 A 38 38 HIS HA H 38 4.897 4.692 0.205 1
1 417 . 19 1 1 A 38 38 HIS C C 38 178.144 174.523 3.621 1
1 418 . 19 1 1 A 38 38 HIS CA C 38 55.580 55.561 0.019 1
1 419 . 19 1 1 A 38 38 HIS CB C 38 30.421 30.360 0.061 1
1 422 . 19 1 1 A 38 38 HIS N N 38 122.516 116.996 5.520 1
1 423 . 19 1 1 A 39 39 ALA H H 39 8.673 8.524 0.149 1
1 424 . 19 1 1 A 39 39 ALA HA H 39 4.493 4.614 -0.121 1
1 428 . 19 1 1 A 39 39 ALA C C 39 178.375 177.264 1.111 1
1 429 . 19 1 1 A 39 39 ALA CA C 39 51.440 51.976 -0.536 1
1 430 . 19 1 1 A 39 39 ALA CB C 39 18.980 19.587 -0.607 1
1 431 . 19 1 1 A 39 39 ALA N N 39 128.546 127.505 1.041 1
1 432 . 19 1 1 A 40 40 HIS H H 40 9.291 9.511 -0.220 1
1 433 . 19 1 1 A 40 40 HIS HA H 40 4.734 5.476 -0.742 1
1 439 . 19 1 1 A 40 40 HIS C C 40 175.484 175.110 0.374 1
1 440 . 19 1 1 A 40 40 HIS CA C 40 56.141 53.651 2.490 1
1 441 . 19 1 1 A 40 40 HIS CB C 40 35.545 32.550 2.995 1
1 444 . 19 1 1 A 40 40 HIS N N 40 120.682 116.907 3.775 1
1 445 . 19 1 1 A 41 41 GLY H H 41 9.080 8.993 0.087 1
1 446 . 19 1 1 A 41 41 GLY HA2 H 41 4.602 3.884 0.718 1
1 447 . 19 1 1 A 41 41 GLY HA3 H 41 3.671 3.909 -0.238 1
1 448 . 19 1 1 A 41 41 GLY C C 41 176.409 173.956 2.453 1
1 449 . 19 1 1 A 41 41 GLY CA C 41 44.724 45.341 -0.617 1
1 450 . 19 1 1 A 41 41 GLY N N 41 106.159 108.344 -2.185 1
1 451 . 19 1 1 A 42 42 TYR H H 42 11.980 7.890 4.090 1
1 452 . 19 1 1 A 42 42 TYR HA H 42 4.616 4.857 -0.241 1
1 459 . 19 1 1 A 42 42 TYR C C 42 174.385 175.051 -0.666 1
1 460 . 19 1 1 A 42 42 TYR CA C 42 57.579 56.638 0.941 1
1 461 . 19 1 1 A 42 42 TYR CB C 42 36.198 36.375 -0.177 1
1 466 . 19 1 1 A 42 42 TYR N N 42 133.554 120.354 13.200 1
1 467 . 19 1 1 A 43 43 ILE H H 43 7.120 8.121 -1.001 1
1 468 . 19 1 1 A 43 43 ILE HA H 43 4.630 4.629 0.001 1
1 478 . 19 1 1 A 43 43 ILE C C 43 177.219 175.744 1.475 1
1 479 . 19 1 1 A 43 43 ILE CA C 43 58.201 57.683 0.518 1
1 480 . 19 1 1 A 43 43 ILE CB C 43 38.761 39.031 -0.270 1
1 484 . 19 1 1 A 43 43 ILE N N 43 118.881 125.650 -6.769 1
1 485 . 19 1 1 A 44 44 PRO HA H 44 4.193 4.334 -0.141 1
1 492 . 19 1 1 A 44 44 PRO C C 44 178.780 177.963 0.817 1
1 493 . 19 1 1 A 44 44 PRO CA C 44 67.061 64.450 2.611 1
1 494 . 19 1 1 A 44 44 PRO CB C 44 32.267 32.039 0.228 1
1 497 . 19 1 1 A 45 45 SER H H 45 7.984 8.172 -0.188 1
1 498 . 19 1 1 A 45 45 SER HA H 45 4.087 4.217 -0.130 1
1 502 . 19 1 1 A 45 45 SER C C 45 176.004 175.855 0.149 1
1 503 . 19 1 1 A 45 45 SER CA C 45 60.161 60.892 -0.731 1
1 504 . 19 1 1 A 45 45 SER CB C 45 62.260 63.176 -0.916 1
1 505 . 19 1 1 A 45 45 SER N N 45 107.865 113.144 -5.279 1
1 506 . 19 1 1 A 46 46 LYS H H 46 7.769 7.694 0.075 1
1 507 . 19 1 1 A 46 46 LYS HA H 46 3.965 4.214 -0.249 1
1 516 . 19 1 1 A 46 46 LYS C C 46 175.831 176.200 -0.369 1
1 517 . 19 1 1 A 46 46 LYS CA C 46 57.349 56.721 0.628 1
1 518 . 19 1 1 A 46 46 LYS CB C 46 33.283 33.305 -0.022 1
1 522 . 19 1 1 A 46 46 LYS N N 46 121.944 116.192 5.752 1
1 523 . 19 1 1 A 47 47 PHE H H 47 7.018 7.545 -0.527 1
1 524 . 19 1 1 A 47 47 PHE HA H 47 5.244 5.057 0.187 1
1 532 . 19 1 1 A 47 47 PHE C C 47 174.790 174.530 0.260 1
1 533 . 19 1 1 A 47 47 PHE CA C 47 54.142 54.930 -0.788 1
1 534 . 19 1 1 A 47 47 PHE CB C 47 39.434 39.180 0.254 1
1 539 . 19 1 1 A 47 47 PHE N N 47 115.480 119.083 -3.603 1
1 540 . 19 1 1 A 48 48 PRO HA H 48 4.472 4.491 -0.019 1
1 547 . 19 1 1 A 48 48 PRO C C 48 177.681 177.460 0.221 1
1 548 . 19 1 1 A 48 48 PRO CA C 48 65.513 64.563 0.950 1
1 549 . 19 1 1 A 48 48 PRO CB C 48 31.712 31.925 -0.213 1
1 552 . 19 1 1 A 49 49 ASN H H 49 8.559 8.423 0.136 1
1 553 . 19 1 1 A 49 49 ASN HA H 49 4.818 4.530 0.288 1
1 558 . 19 1 1 A 49 49 ASN C C 49 175.715 176.578 -0.863 1
1 559 . 19 1 1 A 49 49 ASN CA C 49 53.372 55.848 -2.476 1
1 560 . 19 1 1 A 49 49 ASN CB C 49 37.351 38.814 -1.463 1
1 561 . 19 1 1 A 49 49 ASN N N 49 114.836 116.847 -2.011 1
1 563 . 19 1 1 A 50 50 LYS H H 50 7.627 7.560 0.067 1
1 564 . 19 1 1 A 50 50 LYS HA H 50 4.480 4.364 0.116 1
1 573 . 19 1 1 A 50 50 LYS C C 50 175.079 175.641 -0.562 1
1 574 . 19 1 1 A 50 50 LYS CA C 50 53.336 55.667 -2.331 1
1 575 . 19 1 1 A 50 50 LYS CB C 50 31.284 32.163 -0.879 1
1 579 . 19 1 1 A 50 50 LYS N N 50 116.224 116.606 -0.382 1
1 580 . 19 1 1 A 51 51 ASN H H 51 7.945 8.026 -0.081 1
1 581 . 19 1 1 A 51 51 ASN HA H 51 4.304 4.387 -0.083 1
1 586 . 19 1 1 A 51 51 ASN C C 51 175.195 175.355 -0.160 1
1 587 . 19 1 1 A 51 51 ASN CA C 51 54.089 53.883 0.206 1
1 588 . 19 1 1 A 51 51 ASN CB C 51 36.504 36.916 -0.412 1
1 589 . 19 1 1 A 51 51 ASN N N 51 115.331 117.084 -1.753 1
1 591 . 19 1 1 A 52 52 LEU H H 52 8.803 7.924 0.879 1
1 592 . 19 1 1 A 52 52 LEU HA H 52 3.412 4.383 -0.971 1
1 602 . 19 1 1 A 52 52 LEU C C 52 174.674 175.285 -0.611 1
1 603 . 19 1 1 A 52 52 LEU CA C 52 53.983 54.454 -0.471 1
1 604 . 19 1 1 A 52 52 LEU CB C 52 42.471 41.743 0.728 1
1 608 . 19 1 1 A 52 52 LEU N N 52 121.765 121.561 0.204 1
1 609 . 19 1 1 A 53 53 LYS H H 53 7.099 8.367 -1.268 1
1 610 . 19 1 1 A 53 53 LYS HA H 53 4.324 4.866 -0.542 1
1 619 . 19 1 1 A 53 53 LYS C C 53 173.460 176.483 -3.023 1
1 620 . 19 1 1 A 53 53 LYS CA C 53 54.843 54.554 0.289 1
1 621 . 19 1 1 A 53 53 LYS CB C 53 36.395 35.859 0.536 1
1 625 . 19 1 1 A 53 53 LYS N N 53 124.403 126.702 -2.299 1
1 626 . 19 1 1 A 54 54 LYS H H 54 8.805 8.972 -0.167 1
1 627 . 19 1 1 A 54 54 LYS HA H 54 3.692 3.844 -0.152 1
1 636 . 19 1 1 A 54 54 LYS C C 54 173.344 175.977 -2.633 1
1 637 . 19 1 1 A 54 54 LYS CA C 54 56.366 57.753 -1.387 1
1 638 . 19 1 1 A 54 54 LYS CB C 54 29.830 30.261 -0.431 1
1 642 . 19 1 1 A 54 54 LYS N N 54 118.125 118.077 0.048 1
1 643 . 19 1 1 A 55 55 ASN H H 55 7.567 8.470 -0.903 1
1 644 . 19 1 1 A 55 55 ASN HA H 55 4.643 4.702 -0.059 1
1 649 . 19 1 1 A 55 55 ASN C C 55 172.188 175.310 -3.122 1
1 650 . 19 1 1 A 55 55 ASN CA C 55 51.091 51.651 -0.560 1
1 651 . 19 1 1 A 55 55 ASN CB C 55 37.234 37.386 -0.152 1
1 652 . 19 1 1 A 55 55 ASN N N 55 123.893 121.875 2.018 1
1 654 . 19 1 1 A 56 56 TYR H H 56 7.584 7.609 -0.025 1
1 655 . 19 1 1 A 56 56 TYR HA H 56 4.892 5.144 -0.252 1
1 662 . 19 1 1 A 56 56 TYR C C 56 177.276 176.091 1.185 1
1 663 . 19 1 1 A 56 56 TYR CA C 56 54.447 58.448 -4.001 1
1 664 . 19 1 1 A 56 56 TYR CB C 56 38.633 39.458 -0.825 1
1 669 . 19 1 1 A 56 56 TYR N N 56 115.237 120.301 -5.064 1
1 670 . 19 1 1 A 57 57 CYS H H 57 9.149 8.944 0.205 1
1 671 . 19 1 1 A 57 57 CYS HA H 57 4.398 4.766 -0.368 1
1 674 . 19 1 1 A 57 57 CYS C C 57 175.600 174.478 1.122 1
1 675 . 19 1 1 A 57 57 CYS CA C 57 59.824 56.890 2.934 1
1 676 . 19 1 1 A 57 57 CYS CB C 57 48.356 42.335 6.021 1
1 677 . 19 1 1 A 57 57 CYS N N 57 119.273 122.146 -2.873 1
1 678 . 19 1 1 A 58 58 ARG H H 58 9.138 8.467 0.671 1
1 679 . 19 1 1 A 58 58 ARG HA H 58 4.918 5.285 -0.367 1
1 687 . 19 1 1 A 58 58 ARG C C 58 173.576 174.534 -0.958 1
1 688 . 19 1 1 A 58 58 ARG CA C 58 53.187 54.439 -1.252 1
1 689 . 19 1 1 A 58 58 ARG CB C 58 29.412 34.566 -5.154 1
1 692 . 19 1 1 A 58 58 ARG N N 58 122.881 124.601 -1.720 1
1 694 . 19 1 1 A 59 59 ASN H H 59 8.868 8.609 0.259 1
1 695 . 19 1 1 A 59 59 ASN HA H 59 5.513 5.071 0.442 1
1 700 . 19 1 1 A 59 59 ASN C C 59 172.824 174.342 -1.518 1
1 701 . 19 1 1 A 59 59 ASN CA C 59 53.176 50.250 2.926 1
1 702 . 19 1 1 A 59 59 ASN CB C 59 37.237 39.170 -1.933 1
1 703 . 19 1 1 A 59 59 ASN N N 59 113.603 119.231 -5.628 1
1 705 . 19 1 1 A 60 60 PRO HA H 60 4.712 4.348 0.364 1
1 712 . 19 1 1 A 60 60 PRO C C 60 175.715 177.610 -1.895 1
1 713 . 19 1 1 A 60 60 PRO CA C 60 63.643 64.302 -0.659 1
1 714 . 19 1 1 A 60 60 PRO CB C 60 32.507 31.832 0.675 1
1 717 . 19 1 1 A 61 61 ASP H H 61 8.883 8.026 0.857 1
1 718 . 19 1 1 A 61 61 ASP HA H 61 4.495 4.517 -0.022 1
1 721 . 19 1 1 A 61 61 ASP C C 61 174.848 175.199 -0.351 1
1 722 . 19 1 1 A 61 61 ASP CA C 61 51.953 53.124 -1.171 1
1 723 . 19 1 1 A 61 61 ASP CB C 61 42.092 40.183 1.909 1
1 724 . 19 1 1 A 61 61 ASP N N 61 118.660 116.138 2.522 1
1 725 . 19 1 1 A 62 62 ARG H H 62 8.395 7.761 0.634 1
1 726 . 19 1 1 A 62 62 ARG HA H 62 3.789 4.234 -0.445 1
1 734 . 19 1 1 A 62 62 ARG C C 62 176.236 174.574 1.662 1
1 735 . 19 1 1 A 62 62 ARG CA C 62 57.318 57.005 0.313 1
1 736 . 19 1 1 A 62 62 ARG CB C 62 26.990 27.585 -0.595 1
1 739 . 19 1 1 A 62 62 ARG N N 62 116.013 115.181 0.832 1
1 741 . 19 1 1 A 63 63 ASP H H 63 9.735 8.292 1.443 1
1 742 . 19 1 1 A 63 63 ASP HA H 63 4.769 4.661 0.108 1
1 745 . 19 1 1 A 63 63 ASP C C 63 177.334 176.785 0.549 1
1 746 . 19 1 1 A 63 63 ASP CA C 63 51.973 52.818 -0.845 1
1 747 . 19 1 1 A 63 63 ASP CB C 63 42.698 42.711 -0.013 1
1 748 . 19 1 1 A 63 63 ASP N N 63 121.799 118.041 3.758 1
1 749 . 19 1 1 A 64 64 LEU H H 64 10.919 8.610 2.309 1
1 750 . 19 1 1 A 64 64 LEU HA H 64 3.995 4.081 -0.086 1
1 760 . 19 1 1 A 64 64 LEU C C 64 176.467 176.974 -0.507 1
1 761 . 19 1 1 A 64 64 LEU CA C 64 57.772 57.040 0.732 1
1 762 . 19 1 1 A 64 64 LEU CB C 64 43.630 42.193 1.437 1
1 766 . 19 1 1 A 64 64 LEU N N 64 121.789 122.530 -0.741 1
1 767 . 19 1 1 A 65 65 ARG H H 65 7.633 7.841 -0.208 1
1 768 . 19 1 1 A 65 65 ARG HA H 65 5.006 4.932 0.074 1
1 776 . 19 1 1 A 65 65 ARG C C 65 172.130 174.047 -1.917 1
1 777 . 19 1 1 A 65 65 ARG CA C 65 53.368 54.329 -0.961 1
1 778 . 19 1 1 A 65 65 ARG CB C 65 28.429 32.309 -3.880 1
1 781 . 19 1 1 A 65 65 ARG N N 65 108.790 113.229 -4.439 1
1 783 . 19 1 1 A 66 66 PRO HA H 66 4.281 4.722 -0.441 1
1 790 . 19 1 1 A 66 66 PRO C C 66 172.940 176.178 -3.238 1
1 791 . 19 1 1 A 66 66 PRO CA C 66 63.677 63.294 0.383 1
1 792 . 19 1 1 A 66 66 PRO CB C 66 32.592 32.835 -0.243 1
1 795 . 19 1 1 A 67 67 TRP H H 67 8.716 8.512 0.204 1
1 796 . 19 1 1 A 67 67 TRP HA H 67 5.406 5.260 0.146 1
1 805 . 19 1 1 A 67 67 TRP C C 67 172.919 173.789 -0.870 1
1 806 . 19 1 1 A 67 67 TRP CA C 67 56.035 55.582 0.453 1
1 807 . 19 1 1 A 67 67 TRP CB C 67 34.026 31.515 2.511 1
1 813 . 19 1 1 A 67 67 TRP N N 67 121.250 118.280 2.970 1
1 815 . 19 1 1 A 68 68 CYS H H 68 8.384 9.070 -0.686 1
1 816 . 19 1 1 A 68 68 CYS HA H 68 4.265 4.901 -0.636 1
1 819 . 19 1 1 A 68 68 CYS C C 68 175.079 172.945 2.134 1
1 820 . 19 1 1 A 68 68 CYS CA C 68 55.876 55.367 0.509 1
1 821 . 19 1 1 A 68 68 CYS CB C 68 42.232 46.150 -3.918 1
1 822 . 19 1 1 A 68 68 CYS N N 68 109.624 117.592 -7.968 1
1 823 . 19 1 1 A 69 69 PHE H H 69 8.031 8.475 -0.444 1
1 824 . 19 1 1 A 69 69 PHE HA H 69 5.420 4.925 0.495 1
1 832 . 19 1 1 A 69 69 PHE C C 69 176.814 175.484 1.330 1
1 833 . 19 1 1 A 69 69 PHE CA C 69 59.299 57.713 1.586 1
1 834 . 19 1 1 A 69 69 PHE CB C 69 38.411 39.932 -1.521 1
1 840 . 19 1 1 A 69 69 PHE N N 69 120.433 121.216 -0.783 1
1 841 . 19 1 1 A 70 70 THR H H 70 8.002 8.854 -0.852 1
1 842 . 19 1 1 A 70 70 THR HA H 70 5.408 4.517 0.891 1
1 848 . 19 1 1 A 70 70 THR C C 70 173.518 175.081 -1.563 1
1 849 . 19 1 1 A 70 70 THR CA C 70 61.208 62.430 -1.222 1
1 850 . 19 1 1 A 70 70 THR CB C 70 70.441 69.731 0.710 1
1 852 . 19 1 1 A 70 70 THR N N 70 112.351 118.571 -6.220 1
1 853 . 19 1 1 A 71 71 THR H H 71 8.126 8.448 -0.322 1
1 854 . 19 1 1 A 71 71 THR HA H 71 4.037 4.531 -0.494 1
1 860 . 19 1 1 A 71 71 THR C C 71 174.903 173.743 1.160 1
1 861 . 19 1 1 A 71 71 THR CA C 71 62.413 63.271 -0.858 1
1 862 . 19 1 1 A 71 71 THR CB C 71 69.167 69.299 -0.132 1
1 864 . 19 1 1 A 71 71 THR N N 71 104.863 120.040 -15.177 1
1 865 . 19 1 1 A 72 72 ASP H H 72 9.024 7.865 1.159 1
1 866 . 19 1 1 A 72 72 ASP HA H 72 4.936 4.941 -0.005 1
1 869 . 19 1 1 A 72 72 ASP C C 72 176.929 175.505 1.424 1
1 870 . 19 1 1 A 72 72 ASP CA C 72 51.333 51.533 -0.200 1
1 871 . 19 1 1 A 72 72 ASP CB C 72 43.416 42.211 1.205 1
1 872 . 19 1 1 A 72 72 ASP N N 72 126.242 122.242 4.000 1
1 873 . 19 1 1 A 73 73 PRO HA H 73 3.962 4.251 -0.289 1
1 880 . 19 1 1 A 73 73 PRO C C 73 177.045 178.018 -0.973 1
1 881 . 19 1 1 A 73 73 PRO CA C 73 64.632 65.479 -0.847 1
1 882 . 19 1 1 A 73 73 PRO CB C 73 32.460 31.857 0.603 1
1 885 . 19 1 1 A 74 74 ASN H H 74 8.943 8.069 0.874 1
1 886 . 19 1 1 A 74 74 ASN HA H 74 4.854 4.601 0.253 1
1 891 . 19 1 1 A 74 74 ASN C C 74 174.443 175.797 -1.354 1
1 892 . 19 1 1 A 74 74 ASN CA C 74 53.380 56.020 -2.640 1
1 893 . 19 1 1 A 74 74 ASN CB C 74 39.333 38.446 0.887 1
1 894 . 19 1 1 A 74 74 ASN N N 74 114.144 115.413 -1.269 1
1 896 . 19 1 1 A 75 75 LYS H H 75 7.795 7.611 0.184 1
1 897 . 19 1 1 A 75 75 LYS HA H 75 4.571 4.471 0.100 1
1 906 . 19 1 1 A 75 75 LYS C C 75 173.402 175.975 -2.573 1
1 907 . 19 1 1 A 75 75 LYS CA C 75 54.154 55.071 -0.917 1
1 908 . 19 1 1 A 75 75 LYS CB C 75 32.186 34.068 -1.882 1
1 912 . 19 1 1 A 75 75 LYS N N 75 122.835 118.646 4.189 1
1 913 . 19 1 1 A 76 76 ARG H H 76 9.132 8.786 0.346 1
1 914 . 19 1 1 A 76 76 ARG HA H 76 4.555 3.412 1.143 1
1 922 . 19 1 1 A 76 76 ARG C C 76 175.137 175.794 -0.657 1
1 923 . 19 1 1 A 76 76 ARG CA C 76 60.532 57.638 2.894 1
1 924 . 19 1 1 A 76 76 ARG CB C 76 29.307 31.253 -1.946 1
1 927 . 19 1 1 A 76 76 ARG N N 76 129.676 127.316 2.360 1
1 929 . 19 1 1 A 77 77 TRP H H 77 7.559 7.267 0.292 1
1 930 . 19 1 1 A 77 77 TRP HA H 77 5.357 5.126 0.231 1
1 939 . 19 1 1 A 77 77 TRP C C 77 172.940 174.114 -1.174 1
1 940 . 19 1 1 A 77 77 TRP CA C 77 55.044 55.164 -0.120 1
1 941 . 19 1 1 A 77 77 TRP CB C 77 31.951 32.956 -1.005 1
1 947 . 19 1 1 A 77 77 TRP N N 77 109.174 114.164 -4.990 1
1 949 . 19 1 1 A 78 78 GLU H H 78 8.638 9.042 -0.404 1
1 950 . 19 1 1 A 78 78 GLU HA H 78 3.671 4.699 -1.028 1
1 955 . 19 1 1 A 78 78 GLU C C 78 174.501 175.579 -1.078 1
1 956 . 19 1 1 A 78 78 GLU CA C 78 55.659 54.481 1.178 1
1 957 . 19 1 1 A 78 78 GLU CB C 78 34.557 34.028 0.529 1
1 959 . 19 1 1 A 78 78 GLU N N 78 118.907 119.281 -0.374 1
1 960 . 19 1 1 A 79 79 TYR H H 79 7.636 9.088 -1.452 1
1 961 . 19 1 1 A 79 79 TYR HA H 79 4.995 4.927 0.068 1
1 968 . 19 1 1 A 79 79 TYR C C 79 175.889 176.170 -0.281 1
1 969 . 19 1 1 A 79 79 TYR CA C 79 60.120 58.763 1.357 1
1 970 . 19 1 1 A 79 79 TYR CB C 79 39.789 39.099 0.690 1
1 975 . 19 1 1 A 79 79 TYR N N 79 119.277 120.067 -0.790 1
1 976 . 19 1 1 A 80 80 CYS H H 80 9.398 9.511 -0.113 1
1 977 . 19 1 1 A 80 80 CYS HA H 80 4.720 5.448 -0.728 1
1 980 . 19 1 1 A 80 80 CYS C C 80 172.419 171.933 0.486 1
1 981 . 19 1 1 A 80 80 CYS CA C 80 54.618 54.420 0.198 1
1 982 . 19 1 1 A 80 80 CYS CB C 80 46.736 43.581 3.155 1
1 983 . 19 1 1 A 80 80 CYS N N 80 118.623 120.515 -1.892 1
1 984 . 19 1 1 A 81 81 ASP H H 81 9.729 9.013 0.716 1
1 985 . 19 1 1 A 81 81 ASP HA H 81 4.781 4.854 -0.073 1
1 988 . 19 1 1 A 81 81 ASP C C 81 173.576 174.690 -1.114 1
1 989 . 19 1 1 A 81 81 ASP CA C 81 52.855 53.037 -0.182 1
1 990 . 19 1 1 A 81 81 ASP CB C 81 40.733 41.497 -0.764 1
1 991 . 19 1 1 A 81 81 ASP N N 81 124.777 126.881 -2.104 1
1 992 . 19 1 1 A 82 82 ILE H H 82 7.820 8.628 -0.808 1
1 993 . 19 1 1 A 82 82 ILE HA H 82 4.320 4.568 -0.248 1
1 1003 . 19 1 1 A 82 82 ILE C C 82 173.923 174.015 -0.092 1
1 1004 . 19 1 1 A 82 82 ILE CA C 82 56.118 57.361 -1.243 1
1 1005 . 19 1 1 A 82 82 ILE CB C 82 38.166 39.558 -1.392 1
1 1009 . 19 1 1 A 82 82 ILE N N 82 125.281 126.320 -1.039 1
1 1010 . 19 1 1 A 83 83 PRO HA H 83 4.337 4.402 -0.065 1
1 1017 . 19 1 1 A 83 83 PRO C C 83 175.167 175.553 -0.386 1
1 1018 . 19 1 1 A 83 83 PRO CA C 83 62.844 63.467 -0.623 1
1 1019 . 19 1 1 A 83 83 PRO CB C 83 32.450 32.012 0.438 1
1 1022 . 19 1 1 A 84 84 ARG H H 84 8.656 8.532 0.124 1
1 1023 . 19 1 1 A 84 84 ARG HA H 84 4.658 4.636 0.022 1
1 1031 . 19 1 1 A 84 84 ARG C C 84 175.137 174.595 0.542 1
1 1032 . 19 1 1 A 84 84 ARG CA C 84 55.617 55.137 0.480 1
1 1033 . 19 1 1 A 84 84 ARG CB C 84 30.482 32.186 -1.704 1
1 1036 . 19 1 1 A 84 84 ARG N N 84 122.316 123.475 -1.159 1
1 1038 . 19 1 1 A 85 85 CYS H H 85 8.783 8.841 -0.058 1
1 1039 . 19 1 1 A 85 85 CYS HA H 85 4.479 5.097 -0.618 1
1 1042 . 19 1 1 A 85 85 CYS C C 85 174.906 174.160 0.746 1
1 1043 . 19 1 1 A 85 85 CYS CA C 85 54.177 54.586 -0.409 1
1 1044 . 19 1 1 A 85 85 CYS CB C 85 39.574 43.871 -4.297 1
1 1045 . 19 1 1 A 85 85 CYS N N 85 124.002 124.963 -0.961 1
1 1046 . 19 1 1 A 86 86 ALA H H 86 8.746 9.057 -0.311 1
1 1047 . 19 1 1 A 86 86 ALA HA H 86 4.255 3.915 0.340 1
1 1051 . 19 1 1 A 86 86 ALA C C 86 176.236 177.972 -1.736 1
1 1052 . 19 1 1 A 86 86 ALA CA C 86 53.067 54.975 -1.908 1
1 1053 . 19 1 1 A 86 86 ALA CB C 86 19.034 18.682 0.352 1
1 1054 . 19 1 1 A 86 86 ALA N N 86 126.444 126.696 -0.252 1
1 1064 . 19 2 2 B 2 2 SER HA H 100 4.570 4.579 -0.009 1
1 1067 . 19 2 2 B 2 2 SER C C 100 174.779 175.570 -0.791 1
1 1068 . 19 2 2 B 2 2 SER CA C 100 58.624 59.386 -0.762 1
1 1069 . 19 2 2 B 2 2 SER CB C 100 63.939 63.460 0.479 1
1 1070 . 19 2 2 B 3 3 VAL H H 101 8.341 8.813 -0.472 1
1 1071 . 19 2 2 B 3 3 VAL HA H 101 4.151 4.289 -0.138 1
1 1079 . 19 2 2 B 3 3 VAL C C 101 176.450 175.646 0.804 1
1 1080 . 19 2 2 B 3 3 VAL CA C 101 62.793 62.946 -0.153 1
1 1081 . 19 2 2 B 3 3 VAL CB C 101 32.495 32.651 -0.156 1
1 1084 . 19 2 2 B 3 3 VAL N N 101 121.954 121.634 0.320 1
1 1085 . 19 2 2 B 4 4 GLU H H 102 8.521 7.823 0.698 1
1 1086 . 19 2 2 B 4 4 GLU HA H 102 4.291 5.028 -0.737 1
1 1091 . 19 2 2 B 4 4 GLU C C 102 176.450 175.999 0.451 1
1 1092 . 19 2 2 B 4 4 GLU CA C 102 56.955 56.147 0.808 1
1 1093 . 19 2 2 B 4 4 GLU CB C 102 30.233 31.032 -0.799 1
1 1095 . 19 2 2 B 4 4 GLU N N 102 124.722 120.830 3.892 1
1 1096 . 19 2 2 B 5 5 LYS H H 103 8.323 9.028 -0.705 1
1 1097 . 19 2 2 B 5 5 LYS HA H 103 4.313 4.313 0.000 1
1 1106 . 19 2 2 B 5 5 LYS C C 103 176.784 175.625 1.159 1
1 1107 . 19 2 2 B 5 5 LYS CA C 103 56.688 57.652 -0.964 1
1 1108 . 19 2 2 B 5 5 LYS CB C 103 30.228 32.597 -2.369 1
1 1112 . 19 2 2 B 5 5 LYS N N 103 122.689 123.318 -0.629 1
1 1113 . 19 2 2 B 6 6 LEU H H 104 8.369 7.450 0.919 1
1 1114 . 19 2 2 B 6 6 LEU HA H 104 4.500 4.842 -0.342 1
1 1124 . 19 2 2 B 6 6 LEU C C 104 177.632 176.134 1.498 1
1 1125 . 19 2 2 B 6 6 LEU CA C 104 55.480 53.334 2.146 1
1 1126 . 19 2 2 B 6 6 LEU CB C 104 42.587 44.842 -2.255 1
1 1130 . 19 2 2 B 6 6 LEU N N 104 123.373 120.484 2.889 1
1 1131 . 19 2 2 B 7 7 THR HA H 105 4.558 5.017 -0.459 1
1 1137 . 19 2 2 B 7 7 THR C C 105 175.614 175.647 -0.033 1
1 1138 . 19 2 2 B 7 7 THR CA C 105 62.000 60.263 1.737 1
1 1139 . 19 2 2 B 7 7 THR CB C 105 70.090 71.781 -1.691 1
1 1141 . 19 2 2 B 8 8 ALA H H 106 8.649 9.054 -0.405 1
1 1142 . 19 2 2 B 8 8 ALA HA H 106 4.458 4.077 0.381 1
1 1146 . 19 2 2 B 8 8 ALA C C 106 179.290 179.324 -0.034 1
1 1147 . 19 2 2 B 8 8 ALA CA C 106 55.552 55.629 -0.077 1
1 1148 . 19 2 2 B 8 8 ALA CB C 106 18.704 18.168 0.536 1
1 1149 . 19 2 2 B 8 8 ALA N N 106 124.857 123.889 0.968 1
1 1150 . 19 2 2 B 9 9 ASP H H 107 8.286 8.338 -0.052 1
1 1151 . 19 2 2 B 9 9 ASP HA H 107 4.457 4.350 0.107 1
1 1154 . 19 2 2 B 9 9 ASP C C 107 178.845 178.386 0.459 1
1 1155 . 19 2 2 B 9 9 ASP CA C 107 57.733 56.799 0.934 1
1 1156 . 19 2 2 B 9 9 ASP CB C 107 40.881 41.261 -0.380 1
1 1157 . 19 2 2 B 9 9 ASP N N 107 115.621 117.966 -2.345 1
1 1158 . 19 2 2 B 10 10 ALA H H 108 7.887 8.190 -0.303 1
1 1159 . 19 2 2 B 10 10 ALA HA H 108 4.182 4.038 0.144 1
1 1163 . 19 2 2 B 10 10 ALA C C 108 180.906 179.246 1.660 1
1 1164 . 19 2 2 B 10 10 ALA CA C 108 55.014 55.070 -0.056 1
1 1165 . 19 2 2 B 10 10 ALA CB C 108 18.631 17.967 0.664 1
1 1166 . 19 2 2 B 10 10 ALA N N 108 122.756 121.469 1.287 1
1 1167 . 19 2 2 B 11 11 GLU H H 109 8.390 8.622 -0.232 1
1 1168 . 19 2 2 B 11 11 GLU HA H 109 4.256 4.119 0.137 1
1 1173 . 19 2 2 B 11 11 GLU C C 109 178.678 179.152 -0.474 1
1 1174 . 19 2 2 B 11 11 GLU CA C 109 59.105 58.946 0.159 1
1 1175 . 19 2 2 B 11 11 GLU CB C 109 29.559 29.334 0.225 1
1 1177 . 19 2 2 B 11 11 GLU N N 109 121.999 119.129 2.870 1
1 1178 . 19 2 2 B 12 12 LEU H H 110 8.395 8.429 -0.034 1
1 1179 . 19 2 2 B 12 12 LEU HA H 110 3.808 3.909 -0.101 1
1 1189 . 19 2 2 B 12 12 LEU C C 110 178.288 178.819 -0.531 1
1 1190 . 19 2 2 B 12 12 LEU CA C 110 58.407 57.874 0.533 1
1 1191 . 19 2 2 B 12 12 LEU CB C 110 41.329 41.443 -0.114 1
1 1195 . 19 2 2 B 12 12 LEU N N 110 119.939 120.068 -0.129 1
1 1196 . 19 2 2 B 13 13 GLN H H 111 7.761 8.394 -0.633 1
1 1197 . 19 2 2 B 13 13 GLN HA H 111 4.008 3.935 0.073 1
1 1202 . 19 2 2 B 13 13 GLN C C 111 177.954 178.491 -0.537 1
1 1203 . 19 2 2 B 13 13 GLN CA C 111 58.674 59.447 -0.773 1
1 1204 . 19 2 2 B 13 13 GLN CB C 111 28.513 28.289 0.224 1
1 1206 . 19 2 2 B 13 13 GLN N N 111 117.305 118.716 -1.411 1
1 1207 . 19 2 2 B 14 14 ARG H H 112 7.752 7.913 -0.161 1
1 1208 . 19 2 2 B 14 14 ARG HA H 112 4.053 4.132 -0.079 1
1 1216 . 19 2 2 B 14 14 ARG C C 112 179.625 179.016 0.609 1
1 1217 . 19 2 2 B 14 14 ARG CA C 112 59.770 59.230 0.540 1
1 1218 . 19 2 2 B 14 14 ARG CB C 112 29.884 30.066 -0.182 1
1 1221 . 19 2 2 B 14 14 ARG N N 112 121.241 120.106 1.135 1
1 1223 . 19 2 2 B 15 15 LEU H H 113 8.478 8.847 -0.369 1
1 1224 . 19 2 2 B 15 15 LEU HA H 113 3.974 3.929 0.045 1
1 1234 . 19 2 2 B 15 15 LEU C C 113 180.627 179.056 1.571 1
1 1235 . 19 2 2 B 15 15 LEU CA C 113 58.251 57.983 0.268 1
1 1236 . 19 2 2 B 15 15 LEU CB C 113 41.751 41.531 0.220 1
1 1240 . 19 2 2 B 15 15 LEU N N 113 120.898 119.641 1.257 1
1 1241 . 19 2 2 B 16 16 LYS H H 114 8.437 8.156 0.281 1
1 1242 . 19 2 2 B 16 16 LYS HA H 114 3.368 3.753 -0.385 1
1 1251 . 19 2 2 B 16 16 LYS C C 114 178.288 178.813 -0.525 1
1 1252 . 19 2 2 B 16 16 LYS CA C 114 60.242 59.690 0.552 1
1 1253 . 19 2 2 B 16 16 LYS CB C 114 30.249 32.231 -1.982 1
1 1257 . 19 2 2 B 16 16 LYS N N 114 123.214 120.319 2.895 1
1 1258 . 19 2 2 B 17 17 ASN H H 115 8.137 8.510 -0.373 1
1 1259 . 19 2 2 B 17 17 ASN HA H 115 4.270 4.583 -0.313 1
1 1264 . 19 2 2 B 17 17 ASN C C 115 178.288 177.822 0.466 1
1 1265 . 19 2 2 B 17 17 ASN CA C 115 56.318 56.351 -0.033 1
1 1266 . 19 2 2 B 17 17 ASN CB C 115 37.573 37.834 -0.261 1
1 1267 . 19 2 2 B 17 17 ASN N N 115 117.923 118.020 -0.097 1
1 1269 . 19 2 2 B 18 18 GLU H H 116 8.110 8.901 -0.791 1
1 1270 . 19 2 2 B 18 18 GLU HA H 116 4.146 3.982 0.164 1
1 1275 . 19 2 2 B 18 18 GLU C C 116 178.956 178.848 0.108 1
1 1276 . 19 2 2 B 18 18 GLU CA C 116 59.659 59.695 -0.036 1
1 1277 . 19 2 2 B 18 18 GLU CB C 116 29.950 29.176 0.774 1
1 1279 . 19 2 2 B 18 18 GLU N N 116 120.249 119.737 0.512 1
1 1280 . 19 2 2 B 19 19 ARG H H 117 7.925 8.258 -0.333 1
1 1281 . 19 2 2 B 19 19 ARG HA H 117 4.057 4.042 0.015 1
1 1289 . 19 2 2 B 19 19 ARG C C 117 180.070 179.129 0.941 1
1 1290 . 19 2 2 B 19 19 ARG CA C 117 59.564 59.287 0.277 1
1 1291 . 19 2 2 B 19 19 ARG CB C 117 29.879 29.885 -0.006 1
1 1294 . 19 2 2 B 19 19 ARG N N 117 119.801 118.432 1.369 1
1 1296 . 19 2 2 B 20 20 HIS H H 118 8.316 7.401 0.915 1
1 1297 . 19 2 2 B 20 20 HIS HA H 118 4.574 4.309 0.265 1
1 1304 . 19 2 2 B 20 20 HIS C C 118 176.784 177.833 -1.049 1
1 1305 . 19 2 2 B 20 20 HIS CA C 118 58.397 59.317 -0.920 1
1 1306 . 19 2 2 B 20 20 HIS CB C 118 29.343 30.444 -1.101 1
1 1309 . 19 2 2 B 20 20 HIS N N 118 117.802 118.610 -0.808 1
1 1310 . 19 2 2 B 21 21 GLU H H 119 8.400 8.740 -0.340 1
1 1311 . 19 2 2 B 21 21 GLU HA H 119 4.268 3.787 0.481 1
1 1316 . 19 2 2 B 21 21 GLU C C 119 178.566 179.369 -0.803 1
1 1317 . 19 2 2 B 21 21 GLU CA C 119 59.105 59.943 -0.838 1
1 1318 . 19 2 2 B 21 21 GLU CB C 119 29.559 29.515 0.044 1
1 1320 . 19 2 2 B 21 21 GLU N N 119 121.996 119.630 2.366 1
1 1321 . 19 2 2 B 22 22 GLU H H 120 8.285 8.668 -0.383 1
1 1322 . 19 2 2 B 22 22 GLU HA H 120 4.204 4.045 0.159 1
1 1327 . 19 2 2 B 22 22 GLU C C 120 178.288 179.117 -0.829 1
1 1328 . 19 2 2 B 22 22 GLU CA C 120 58.841 59.211 -0.370 1
1 1329 . 19 2 2 B 22 22 GLU CB C 120 29.322 29.490 -0.168 1
1 1331 . 19 2 2 B 22 22 GLU N N 120 119.798 120.541 -0.743 1
1 1332 . 19 2 2 B 23 23 ALA H H 121 8.037 8.449 -0.412 1
1 1333 . 19 2 2 B 23 23 ALA HA H 121 4.270 4.062 0.208 1
1 1337 . 19 2 2 B 23 23 ALA C C 121 179.569 179.702 -0.133 1
1 1338 . 19 2 2 B 23 23 ALA CA C 121 54.158 54.826 -0.668 1
1 1339 . 19 2 2 B 23 23 ALA CB C 121 18.923 18.558 0.365 1
1 1340 . 19 2 2 B 23 23 ALA N N 121 122.418 122.696 -0.278 1
1 1341 . 19 2 2 B 24 24 GLU H H 122 8.039 7.866 0.173 1
1 1342 . 19 2 2 B 24 24 GLU HA H 122 4.291 3.973 0.318 1
1 1347 . 19 2 2 B 24 24 GLU C C 122 177.954 179.746 -1.792 1
1 1348 . 19 2 2 B 24 24 GLU CA C 122 58.023 59.307 -1.284 1
1 1349 . 19 2 2 B 24 24 GLU CB C 122 29.566 30.012 -0.446 1
1 1351 . 19 2 2 B 24 24 GLU N N 122 119.517 118.220 1.297 1
1 1352 . 19 2 2 B 25 25 LEU H H 123 7.962 8.861 -0.899 1
1 1353 . 19 2 2 B 25 25 LEU HA H 123 4.226 3.993 0.233 1
1 1363 . 19 2 2 B 25 25 LEU C C 123 179.123 179.105 0.018 1
1 1364 . 19 2 2 B 25 25 LEU CA C 123 57.213 58.062 -0.849 1
1 1365 . 19 2 2 B 25 25 LEU CB C 123 41.809 41.578 0.231 1
1 1369 . 19 2 2 B 25 25 LEU N N 123 120.617 120.733 -0.116 1
1 1370 . 19 2 2 B 26 26 GLU H H 124 8.093 8.659 -0.566 1
1 1371 . 19 2 2 B 26 26 GLU HA H 124 4.140 3.934 0.206 1
1 1376 . 19 2 2 B 26 26 GLU C C 124 177.954 178.886 -0.932 1
1 1377 . 19 2 2 B 26 26 GLU CA C 124 58.095 59.731 -1.636 1
1 1378 . 19 2 2 B 26 26 GLU CB C 124 29.910 29.007 0.903 1
1 1380 . 19 2 2 B 26 26 GLU N N 124 119.473 120.221 -0.748 1
1 1381 . 19 2 2 B 27 27 ARG H H 125 7.954 8.007 -0.053 1
1 1382 . 19 2 2 B 27 27 ARG HA H 125 4.210 4.122 0.088 1
1 1390 . 19 2 2 B 27 27 ARG C C 125 177.619 178.330 -0.711 1
1 1391 . 19 2 2 B 27 27 ARG CA C 125 57.677 58.720 -1.043 1
1 1392 . 19 2 2 B 27 27 ARG CB C 125 30.374 30.101 0.273 1
1 1395 . 19 2 2 B 27 27 ARG N N 125 120.670 119.826 0.844 1
1 1397 . 19 2 2 B 28 28 LEU H H 126 8.038 8.471 -0.433 1
1 1398 . 19 2 2 B 28 28 LEU HA H 126 4.270 4.003 0.267 1
1 1408 . 19 2 2 B 28 28 LEU C C 126 178.065 178.026 0.039 1
1 1409 . 19 2 2 B 28 28 LEU CA C 126 56.096 57.437 -1.341 1
1 1410 . 19 2 2 B 28 28 LEU CB C 126 42.252 40.953 1.299 1
1 1414 . 19 2 2 B 28 28 LEU N N 126 120.818 120.973 -0.155 1
1 1415 . 19 2 2 B 29 29 LYS H H 127 7.944 7.826 0.118 1
1 1416 . 19 2 2 B 29 29 LYS HA H 127 4.270 4.086 0.184 1
1 1425 . 19 2 2 B 29 29 LYS C C 127 176.951 178.293 -1.342 1
1 1426 . 19 2 2 B 29 29 LYS CA C 127 57.168 58.777 -1.609 1
1 1427 . 19 2 2 B 29 29 LYS CB C 127 32.755 32.696 0.059 1
1 1431 . 19 2 2 B 29 29 LYS N N 127 119.960 119.813 0.147 1
1 1432 . 19 2 2 B 30 30 SER H H 128 8.030 7.761 0.269 1
1 1433 . 19 2 2 B 30 30 SER HA H 128 4.466 4.634 -0.168 1
1 1436 . 19 2 2 B 30 30 SER C C 128 176.101 174.354 1.747 1
1 1437 . 19 2 2 B 30 30 SER CA C 128 58.590 59.672 -1.082 1
1 1438 . 19 2 2 B 30 30 SER CB C 128 63.939 64.321 -0.382 1
1 1439 . 19 2 2 B 30 30 SER N N 128 115.496 112.718 2.778 1
1 1440 . 19 2 2 B 31 31 GLU H H 129 8.157 8.337 -0.180 1
1 1441 . 19 2 2 B 31 31 GLU HA H 129 4.291 4.651 -0.360 1
1 1446 . 19 2 2 B 31 31 GLU C C 129 175.112 175.287 -0.175 1
1 1447 . 19 2 2 B 31 31 GLU CA C 129 56.654 55.963 0.691 1
1 1448 . 19 2 2 B 31 31 GLU CB C 129 30.389 30.341 0.048 1
1 1450 . 19 2 2 B 31 31 GLU N N 129 122.569 119.934 2.635 1
1 1 . 20 1 1 A 2 2 VAL H H 2 7.944 8.572 -0.628 1
1 2 . 20 1 1 A 2 2 VAL HA H 2 4.035 4.115 -0.080 1
1 10 . 20 1 1 A 2 2 VAL C C 2 174.807 175.949 -1.142 1
1 11 . 20 1 1 A 2 2 VAL CA C 2 61.947 63.970 -2.023 1
1 12 . 20 1 1 A 2 2 VAL CB C 2 33.175 32.699 0.476 1
1 15 . 20 1 1 A 2 2 VAL N N 2 123.960 124.952 -0.992 1
1 16 . 20 1 1 A 3 3 GLU H H 3 8.465 7.655 0.810 1
1 17 . 20 1 1 A 3 3 GLU HA H 3 4.168 4.749 -0.581 1
1 22 . 20 1 1 A 3 3 GLU C C 3 175.888 177.102 -1.214 1
1 23 . 20 1 1 A 3 3 GLU CA C 3 56.487 54.874 1.613 1
1 24 . 20 1 1 A 3 3 GLU CB C 3 30.349 32.529 -2.180 1
1 26 . 20 1 1 A 3 3 GLU N N 3 125.549 119.216 6.333 1
1 27 . 20 1 1 A 4 4 PHE H H 4 8.330 8.851 -0.521 1
1 28 . 20 1 1 A 4 4 PHE HA H 4 4.651 4.397 0.254 1
1 36 . 20 1 1 A 4 4 PHE C C 4 175.550 174.600 0.950 1
1 37 . 20 1 1 A 4 4 PHE CA C 4 57.827 60.908 -3.081 1
1 38 . 20 1 1 A 4 4 PHE CB C 4 39.623 40.103 -0.480 1
1 44 . 20 1 1 A 4 4 PHE N N 4 121.869 122.947 -1.078 1
1 45 . 20 1 1 A 5 5 SER H H 5 8.177 7.962 0.215 1
1 46 . 20 1 1 A 5 5 SER HA H 5 4.395 4.676 -0.281 1
1 49 . 20 1 1 A 5 5 SER C C 5 173.996 173.689 0.307 1
1 50 . 20 1 1 A 5 5 SER CA C 5 58.045 57.383 0.662 1
1 51 . 20 1 1 A 5 5 SER CB C 5 64.050 64.674 -0.624 1
1 52 . 20 1 1 A 5 5 SER N N 5 117.865 111.010 6.855 1
1 53 . 20 1 1 A 6 6 GLU H H 6 8.425 8.714 -0.289 1
1 54 . 20 1 1 A 6 6 GLU HA H 6 4.290 4.196 0.094 1
1 59 . 20 1 1 A 6 6 GLU C C 6 176.699 176.949 -0.250 1
1 60 . 20 1 1 A 6 6 GLU CA C 6 56.479 58.688 -2.209 1
1 61 . 20 1 1 A 6 6 GLU CB C 6 30.715 28.443 2.272 1
1 63 . 20 1 1 A 6 6 GLU N N 6 122.791 122.494 0.297 1
1 64 . 20 1 1 A 7 7 GLU H H 7 8.421 8.609 -0.188 1
1 65 . 20 1 1 A 7 7 GLU HA H 7 4.742 4.459 0.283 1
1 70 . 20 1 1 A 7 7 GLU C C 7 175.145 175.372 -0.227 1
1 71 . 20 1 1 A 7 7 GLU CA C 7 55.617 56.488 -0.871 1
1 72 . 20 1 1 A 7 7 GLU CB C 7 29.095 28.826 0.269 1
1 74 . 20 1 1 A 7 7 GLU N N 7 122.775 121.521 1.254 1
1 75 . 20 1 1 A 8 8 CYS H H 8 7.917 7.666 0.251 1
1 76 . 20 1 1 A 8 8 CYS HA H 8 4.969 4.915 0.054 1
1 79 . 20 1 1 A 8 8 CYS C C 8 171.610 172.224 -0.614 1
1 80 . 20 1 1 A 8 8 CYS CA C 8 53.880 54.801 -0.921 1
1 81 . 20 1 1 A 8 8 CYS CB C 8 43.144 45.214 -2.070 1
1 82 . 20 1 1 A 8 8 CYS N N 8 115.067 116.025 -0.958 1
1 83 . 20 1 1 A 9 9 MET H H 9 9.379 8.464 0.915 1
1 84 . 20 1 1 A 9 9 MET HA H 9 5.049 5.333 -0.284 1
1 89 . 20 1 1 A 9 9 MET C C 9 174.038 175.226 -1.188 1
1 90 . 20 1 1 A 9 9 MET CA C 9 53.312 53.857 -0.545 1
1 91 . 20 1 1 A 9 9 MET CB C 9 36.165 34.942 1.223 1
1 93 . 20 1 1 A 9 9 MET N N 9 117.763 119.690 -1.927 1
1 94 . 20 1 1 A 10 10 HIS H H 10 9.610 9.011 0.599 1
1 95 . 20 1 1 A 10 10 HIS HA H 10 4.877 4.921 -0.044 1
1 102 . 20 1 1 A 10 10 HIS C C 10 176.698 175.293 1.405 1
1 103 . 20 1 1 A 10 10 HIS CA C 10 55.016 55.833 -0.817 1
1 104 . 20 1 1 A 10 10 HIS CB C 10 31.116 30.974 0.142 1
1 107 . 20 1 1 A 10 10 HIS N N 10 124.293 121.037 3.256 1
1 108 . 20 1 1 A 11 11 GLY H H 11 9.249 8.831 0.418 1
1 109 . 20 1 1 A 11 11 GLY HA2 H 11 4.104 3.728 0.376 1
1 110 . 20 1 1 A 11 11 GLY HA3 H 11 3.843 3.775 0.068 1
1 111 . 20 1 1 A 11 11 GLY C C 11 174.559 175.036 -0.477 1
1 112 . 20 1 1 A 11 11 GLY CA C 11 47.652 47.092 0.560 1
1 113 . 20 1 1 A 11 11 GLY N N 11 115.224 116.587 -1.363 1
1 114 . 20 1 1 A 12 12 SER H H 12 8.999 8.640 0.359 1
1 115 . 20 1 1 A 12 12 SER HA H 12 4.653 4.501 0.152 1
1 118 . 20 1 1 A 12 12 SER C C 12 176.178 174.582 1.596 1
1 119 . 20 1 1 A 12 12 SER CA C 12 57.731 58.803 -1.072 1
1 120 . 20 1 1 A 12 12 SER CB C 12 63.439 63.890 -0.451 1
1 121 . 20 1 1 A 12 12 SER N N 12 121.965 122.004 -0.039 1
1 122 . 20 1 1 A 13 13 GLY H H 13 9.022 7.886 1.136 1
1 123 . 20 1 1 A 13 13 GLY HA2 H 13 4.052 3.955 0.097 1
1 124 . 20 1 1 A 13 13 GLY HA3 H 13 3.957 4.027 -0.070 1
1 125 . 20 1 1 A 13 13 GLY C C 13 176.178 174.800 1.378 1
1 126 . 20 1 1 A 13 13 GLY CA C 13 47.972 45.425 2.547 1
1 127 . 20 1 1 A 13 13 GLY N N 13 109.294 108.628 0.666 1
1 128 . 20 1 1 A 14 14 GLU H H 14 9.552 8.075 1.477 1
1 129 . 20 1 1 A 14 14 GLU HA H 14 4.347 4.349 -0.002 1
1 134 . 20 1 1 A 14 14 GLU C C 14 177.045 178.096 -1.051 1
1 135 . 20 1 1 A 14 14 GLU CA C 14 60.282 58.679 1.603 1
1 136 . 20 1 1 A 14 14 GLU CB C 14 29.145 29.496 -0.351 1
1 138 . 20 1 1 A 14 14 GLU N N 14 123.736 121.951 1.785 1
1 139 . 20 1 1 A 15 15 ASN H H 15 8.425 7.807 0.618 1
1 140 . 20 1 1 A 15 15 ASN HA H 15 5.030 4.714 0.316 1
1 144 . 20 1 1 A 15 15 ASN C C 15 174.848 174.727 0.121 1
1 145 . 20 1 1 A 15 15 ASN CA C 15 51.725 53.463 -1.738 1
1 146 . 20 1 1 A 15 15 ASN CB C 15 38.404 38.885 -0.481 1
1 147 . 20 1 1 A 15 15 ASN N N 15 112.918 116.605 -3.687 1
1 150 . 20 1 1 A 16 16 TYR H H 16 7.622 7.556 0.066 1
1 151 . 20 1 1 A 16 16 TYR HA H 16 4.445 4.058 0.387 1
1 159 . 20 1 1 A 16 16 TYR C C 16 175.773 174.411 1.362 1
1 160 . 20 1 1 A 16 16 TYR CA C 16 60.125 59.392 0.733 1
1 161 . 20 1 1 A 16 16 TYR CB C 16 38.590 38.903 -0.313 1
1 166 . 20 1 1 A 16 16 TYR N N 16 121.437 121.535 -0.098 1
1 167 . 20 1 1 A 17 17 ASP H H 17 8.722 7.324 1.398 1
1 168 . 20 1 1 A 17 17 ASP HA H 17 4.599 4.604 -0.005 1
1 171 . 20 1 1 A 17 17 ASP C C 17 175.748 174.128 1.620 1
1 172 . 20 1 1 A 17 17 ASP CA C 17 52.327 52.024 0.303 1
1 173 . 20 1 1 A 17 17 ASP CB C 17 42.265 40.602 1.663 1
1 174 . 20 1 1 A 17 17 ASP N N 17 130.345 128.146 2.199 1
1 175 . 20 1 1 A 18 18 GLY H H 18 4.504 7.885 -3.381 1
1 176 . 20 1 1 A 18 18 GLY HA2 H 18 4.092 3.635 0.457 1
1 177 . 20 1 1 A 18 18 GLY HA3 H 18 3.786 3.994 -0.208 1
1 178 . 20 1 1 A 18 18 GLY C C 18 174.732 174.589 0.143 1
1 179 . 20 1 1 A 18 18 GLY CA C 18 44.739 43.326 1.413 1
1 180 . 20 1 1 A 18 18 GLY N N 18 104.445 112.255 -7.810 1
1 181 . 20 1 1 A 19 19 LYS H H 19 9.272 8.412 0.860 1
1 182 . 20 1 1 A 19 19 LYS HA H 19 3.248 3.220 0.028 1
1 191 . 20 1 1 A 19 19 LYS C C 19 176.409 175.611 0.798 1
1 192 . 20 1 1 A 19 19 LYS CA C 19 55.454 55.768 -0.314 1
1 193 . 20 1 1 A 19 19 LYS CB C 19 32.499 32.167 0.332 1
1 197 . 20 1 1 A 19 19 LYS N N 19 117.569 119.095 -1.526 1
1 198 . 20 1 1 A 20 20 ILE H H 20 7.559 7.207 0.352 1
1 199 . 20 1 1 A 20 20 ILE HA H 20 3.991 4.402 -0.411 1
1 209 . 20 1 1 A 20 20 ILE C C 20 176.756 175.849 0.907 1
1 210 . 20 1 1 A 20 20 ILE CA C 20 64.261 60.908 3.353 1
1 211 . 20 1 1 A 20 20 ILE CB C 20 36.212 39.440 -3.228 1
1 215 . 20 1 1 A 20 20 ILE N N 20 122.778 123.035 -0.257 1
1 216 . 20 1 1 A 21 21 SER H H 21 8.817 8.900 -0.083 1
1 217 . 20 1 1 A 21 21 SER HA H 21 5.128 5.184 -0.056 1
1 220 . 20 1 1 A 21 21 SER C C 21 172.708 173.759 -1.051 1
1 221 . 20 1 1 A 21 21 SER CA C 21 57.513 57.422 0.091 1
1 222 . 20 1 1 A 21 21 SER CB C 21 65.126 64.724 0.402 1
1 223 . 20 1 1 A 21 21 SER N N 21 122.859 121.452 1.407 1
1 224 . 20 1 1 A 22 22 LYS H H 22 7.150 7.765 -0.615 1
1 225 . 20 1 1 A 22 22 LYS HA H 22 5.530 5.491 0.039 1
1 234 . 20 1 1 A 22 22 LYS C C 22 176.120 176.664 -0.544 1
1 235 . 20 1 1 A 22 22 LYS CA C 22 53.471 54.814 -1.343 1
1 236 . 20 1 1 A 22 22 LYS CB C 22 37.049 35.765 1.284 1
1 240 . 20 1 1 A 22 22 LYS N N 22 119.681 121.158 -1.477 1
1 241 . 20 1 1 A 23 23 THR H H 23 9.134 8.919 0.215 1
1 242 . 20 1 1 A 23 23 THR HA H 23 4.630 4.761 -0.131 1
1 248 . 20 1 1 A 23 23 THR C C 23 177.971 176.181 1.790 1
1 249 . 20 1 1 A 23 23 THR CA C 23 61.032 60.752 0.280 1
1 250 . 20 1 1 A 23 23 THR CB C 23 70.818 71.570 -0.752 1
1 252 . 20 1 1 A 23 23 THR N N 23 111.072 114.194 -3.122 1
1 253 . 20 1 1 A 24 24 MET H H 24 9.383 9.140 0.243 1
1 254 . 20 1 1 A 24 24 MET HA H 24 4.168 4.263 -0.095 1
1 259 . 20 1 1 A 24 24 MET C C 24 176.122 177.220 -1.098 1
1 260 . 20 1 1 A 24 24 MET CA C 24 58.704 57.529 1.175 1
1 261 . 20 1 1 A 24 24 MET CB C 24 32.546 32.621 -0.075 1
1 263 . 20 1 1 A 24 24 MET N N 24 118.120 119.929 -1.809 1
1 264 . 20 1 1 A 25 25 SER H H 25 7.763 8.289 -0.526 1
1 265 . 20 1 1 A 25 25 SER HA H 25 4.575 4.554 0.021 1
1 269 . 20 1 1 A 25 25 SER C C 25 174.848 174.808 0.040 1
1 270 . 20 1 1 A 25 25 SER CA C 25 58.895 58.663 0.232 1
1 271 . 20 1 1 A 25 25 SER CB C 25 62.844 64.207 -1.363 1
1 272 . 20 1 1 A 25 25 SER N N 25 113.626 113.509 0.117 1
1 273 . 20 1 1 A 26 26 GLY H H 26 8.136 8.227 -0.091 1
1 274 . 20 1 1 A 26 26 GLY HA2 H 26 4.305 3.945 0.360 1
1 275 . 20 1 1 A 26 26 GLY HA3 H 26 3.503 3.954 -0.451 1
1 276 . 20 1 1 A 26 26 GLY C C 26 174.212 174.826 -0.614 1
1 277 . 20 1 1 A 26 26 GLY CA C 26 45.125 45.830 -0.705 1
1 278 . 20 1 1 A 26 26 GLY N N 26 110.819 110.249 0.570 1
1 279 . 20 1 1 A 27 27 LEU H H 27 7.183 8.267 -1.084 1
1 280 . 20 1 1 A 27 27 LEU HA H 27 4.319 4.494 -0.175 1
1 290 . 20 1 1 A 27 27 LEU C C 27 176.178 176.472 -0.294 1
1 291 . 20 1 1 A 27 27 LEU CA C 27 54.211 54.468 -0.257 1
1 292 . 20 1 1 A 27 27 LEU CB C 27 42.260 42.617 -0.357 1
1 296 . 20 1 1 A 27 27 LEU N N 27 120.765 122.121 -1.356 1
1 297 . 20 1 1 A 28 28 GLU H H 28 8.699 8.692 0.007 1
1 298 . 20 1 1 A 28 28 GLU HA H 28 4.506 4.441 0.065 1
1 303 . 20 1 1 A 28 28 GLU C C 28 177.161 176.538 0.623 1
1 304 . 20 1 1 A 28 28 GLU CA C 28 56.451 56.332 0.119 1
1 305 . 20 1 1 A 28 28 GLU CB C 28 30.018 30.681 -0.663 1
1 307 . 20 1 1 A 28 28 GLU N N 28 122.582 120.550 2.032 1
1 308 . 20 1 1 A 29 29 CYS H H 29 8.624 8.813 -0.189 1
1 309 . 20 1 1 A 29 29 CYS HA H 29 4.812 5.410 -0.598 1
1 312 . 20 1 1 A 29 29 CYS C C 29 177.045 173.166 3.879 1
1 313 . 20 1 1 A 29 29 CYS CA C 29 55.189 55.783 -0.594 1
1 314 . 20 1 1 A 29 29 CYS CB C 29 37.938 43.297 -5.359 1
1 315 . 20 1 1 A 29 29 CYS N N 29 125.564 124.360 1.204 1
1 316 . 20 1 1 A 30 30 GLN H H 30 9.664 9.042 0.622 1
1 317 . 20 1 1 A 30 30 GLN HA H 30 3.841 4.458 -0.617 1
1 324 . 20 1 1 A 30 30 GLN C C 30 175.310 175.893 -0.583 1
1 325 . 20 1 1 A 30 30 GLN CA C 30 55.501 55.275 0.226 1
1 326 . 20 1 1 A 30 30 GLN CB C 30 29.943 30.077 -0.134 1
1 328 . 20 1 1 A 30 30 GLN N N 30 127.687 125.219 2.468 1
1 330 . 20 1 1 A 31 31 ALA H H 31 8.728 8.767 -0.039 1
1 331 . 20 1 1 A 31 31 ALA HA H 31 4.052 4.522 -0.470 1
1 335 . 20 1 1 A 31 31 ALA C C 31 178.722 178.697 0.025 1
1 336 . 20 1 1 A 31 31 ALA CA C 31 52.327 52.831 -0.504 1
1 337 . 20 1 1 A 31 31 ALA CB C 31 18.034 19.275 -1.241 1
1 338 . 20 1 1 A 31 31 ALA N N 31 128.680 128.615 0.065 1
1 339 . 20 1 1 A 32 32 TRP H H 32 7.703 8.685 -0.982 1
1 340 . 20 1 1 A 32 32 TRP HA H 32 4.244 4.487 -0.243 1
1 349 . 20 1 1 A 32 32 TRP C C 32 177.566 178.621 -1.055 1
1 350 . 20 1 1 A 32 32 TRP CA C 32 59.531 60.088 -0.557 1
1 351 . 20 1 1 A 32 32 TRP CB C 32 29.953 29.228 0.725 1
1 357 . 20 1 1 A 32 32 TRP N N 32 123.505 124.350 -0.845 1
1 359 . 20 1 1 A 33 33 ASP H H 33 8.797 8.217 0.580 1
1 360 . 20 1 1 A 33 33 ASP HA H 33 4.634 4.590 0.044 1
1 363 . 20 1 1 A 33 33 ASP C C 33 175.831 176.338 -0.507 1
1 364 . 20 1 1 A 33 33 ASP CA C 33 54.398 56.485 -2.087 1
1 365 . 20 1 1 A 33 33 ASP CB C 33 40.707 40.937 -0.230 1
1 366 . 20 1 1 A 33 33 ASP N N 33 113.424 120.719 -7.295 1
1 367 . 20 1 1 A 34 34 SER H H 34 8.039 7.995 0.044 1
1 368 . 20 1 1 A 34 34 SER HA H 34 4.737 4.486 0.251 1
1 372 . 20 1 1 A 34 34 SER C C 34 174.096 174.583 -0.487 1
1 373 . 20 1 1 A 34 34 SER CA C 34 56.454 57.294 -0.840 1
1 374 . 20 1 1 A 34 34 SER CB C 34 65.137 64.090 1.047 1
1 375 . 20 1 1 A 34 34 SER N N 34 114.429 115.139 -0.710 1
1 376 . 20 1 1 A 35 35 GLN H H 35 8.387 8.992 -0.605 1
1 377 . 20 1 1 A 35 35 GLN HA H 35 4.426 4.145 0.281 1
1 384 . 20 1 1 A 35 35 GLN C C 35 173.518 174.973 -1.455 1
1 385 . 20 1 1 A 35 35 GLN CA C 35 54.020 54.920 -0.900 1
1 386 . 20 1 1 A 35 35 GLN CB C 35 28.804 29.296 -0.492 1
1 388 . 20 1 1 A 35 35 GLN N N 35 123.700 128.379 -4.679 1
1 390 . 20 1 1 A 36 36 SER H H 36 7.746 7.366 0.380 1
1 391 . 20 1 1 A 36 36 SER HA H 36 4.466 4.684 -0.218 1
1 395 . 20 1 1 A 36 36 SER C C 36 172.824 173.419 -0.595 1
1 396 . 20 1 1 A 36 36 SER CA C 36 54.749 55.161 -0.412 1
1 397 . 20 1 1 A 36 36 SER CB C 36 65.162 65.543 -0.381 1
1 398 . 20 1 1 A 36 36 SER N N 36 112.974 115.105 -2.131 1
1 399 . 20 1 1 A 37 37 PRO HA H 37 4.382 4.437 -0.055 1
1 406 . 20 1 1 A 37 37 PRO C C 37 176.351 176.169 0.182 1
1 407 . 20 1 1 A 37 37 PRO CA C 37 64.110 64.196 -0.086 1
1 408 . 20 1 1 A 37 37 PRO CB C 37 33.670 31.928 1.742 1
1 411 . 20 1 1 A 38 38 HIS H H 38 8.764 7.211 1.553 1
1 412 . 20 1 1 A 38 38 HIS HA H 38 4.897 4.620 0.277 1
1 417 . 20 1 1 A 38 38 HIS C C 38 178.144 174.938 3.206 1
1 418 . 20 1 1 A 38 38 HIS CA C 38 55.580 56.136 -0.556 1
1 419 . 20 1 1 A 38 38 HIS CB C 38 30.421 30.687 -0.266 1
1 422 . 20 1 1 A 38 38 HIS N N 38 122.516 117.718 4.798 1
1 423 . 20 1 1 A 39 39 ALA H H 39 8.673 8.503 0.170 1
1 424 . 20 1 1 A 39 39 ALA HA H 39 4.493 4.385 0.108 1
1 428 . 20 1 1 A 39 39 ALA C C 39 178.375 177.181 1.194 1
1 429 . 20 1 1 A 39 39 ALA CA C 39 51.440 51.866 -0.426 1
1 430 . 20 1 1 A 39 39 ALA CB C 39 18.980 19.406 -0.426 1
1 431 . 20 1 1 A 39 39 ALA N N 39 128.546 125.222 3.324 1
1 432 . 20 1 1 A 40 40 HIS H H 40 9.291 8.549 0.742 1
1 433 . 20 1 1 A 40 40 HIS HA H 40 4.734 5.380 -0.646 1
1 439 . 20 1 1 A 40 40 HIS C C 40 175.484 174.698 0.786 1
1 440 . 20 1 1 A 40 40 HIS CA C 40 56.141 53.547 2.594 1
1 441 . 20 1 1 A 40 40 HIS CB C 40 35.545 32.861 2.684 1
1 444 . 20 1 1 A 40 40 HIS N N 40 120.682 117.175 3.507 1
1 445 . 20 1 1 A 41 41 GLY H H 41 9.080 8.390 0.690 1
1 446 . 20 1 1 A 41 41 GLY HA2 H 41 4.602 4.073 0.529 1
1 447 . 20 1 1 A 41 41 GLY HA3 H 41 3.671 4.074 -0.403 1
1 448 . 20 1 1 A 41 41 GLY C C 41 176.409 174.096 2.313 1
1 449 . 20 1 1 A 41 41 GLY CA C 41 44.724 45.674 -0.950 1
1 450 . 20 1 1 A 41 41 GLY N N 41 106.159 107.776 -1.617 1
1 451 . 20 1 1 A 42 42 TYR H H 42 11.980 7.823 4.157 1
1 452 . 20 1 1 A 42 42 TYR HA H 42 4.616 5.105 -0.489 1
1 459 . 20 1 1 A 42 42 TYR C C 42 174.385 175.231 -0.846 1
1 460 . 20 1 1 A 42 42 TYR CA C 42 57.579 56.930 0.649 1
1 461 . 20 1 1 A 42 42 TYR CB C 42 36.198 36.374 -0.176 1
1 466 . 20 1 1 A 42 42 TYR N N 42 133.554 119.332 14.222 1
1 467 . 20 1 1 A 43 43 ILE H H 43 7.120 8.425 -1.305 1
1 468 . 20 1 1 A 43 43 ILE HA H 43 4.630 4.603 0.027 1
1 478 . 20 1 1 A 43 43 ILE C C 43 177.219 176.165 1.054 1
1 479 . 20 1 1 A 43 43 ILE CA C 43 58.201 58.471 -0.270 1
1 480 . 20 1 1 A 43 43 ILE CB C 43 38.761 38.012 0.749 1
1 484 . 20 1 1 A 43 43 ILE N N 43 118.881 125.406 -6.525 1
1 485 . 20 1 1 A 44 44 PRO HA H 44 4.193 4.361 -0.168 1
1 492 . 20 1 1 A 44 44 PRO C C 44 178.780 177.671 1.109 1
1 493 . 20 1 1 A 44 44 PRO CA C 44 67.061 64.423 2.638 1
1 494 . 20 1 1 A 44 44 PRO CB C 44 32.267 31.954 0.313 1
1 497 . 20 1 1 A 45 45 SER H H 45 7.984 8.273 -0.289 1
1 498 . 20 1 1 A 45 45 SER HA H 45 4.087 4.259 -0.172 1
1 502 . 20 1 1 A 45 45 SER C C 45 176.004 175.773 0.231 1
1 503 . 20 1 1 A 45 45 SER CA C 45 60.161 61.053 -0.892 1
1 504 . 20 1 1 A 45 45 SER CB C 45 62.260 63.191 -0.931 1
1 505 . 20 1 1 A 45 45 SER N N 45 107.865 112.980 -5.115 1
1 506 . 20 1 1 A 46 46 LYS H H 46 7.769 7.761 0.008 1
1 507 . 20 1 1 A 46 46 LYS HA H 46 3.965 4.204 -0.239 1
1 516 . 20 1 1 A 46 46 LYS C C 46 175.831 176.203 -0.372 1
1 517 . 20 1 1 A 46 46 LYS CA C 46 57.349 57.099 0.250 1
1 518 . 20 1 1 A 46 46 LYS CB C 46 33.283 32.829 0.454 1
1 522 . 20 1 1 A 46 46 LYS N N 46 121.944 116.207 5.737 1
1 523 . 20 1 1 A 47 47 PHE H H 47 7.018 7.449 -0.431 1
1 524 . 20 1 1 A 47 47 PHE HA H 47 5.244 5.014 0.230 1
1 532 . 20 1 1 A 47 47 PHE C C 47 174.790 174.565 0.225 1
1 533 . 20 1 1 A 47 47 PHE CA C 47 54.142 54.877 -0.735 1
1 534 . 20 1 1 A 47 47 PHE CB C 47 39.434 39.313 0.121 1
1 539 . 20 1 1 A 47 47 PHE N N 47 115.480 118.859 -3.379 1
1 540 . 20 1 1 A 48 48 PRO HA H 48 4.472 4.327 0.145 1
1 547 . 20 1 1 A 48 48 PRO C C 48 177.681 178.515 -0.834 1
1 548 . 20 1 1 A 48 48 PRO CA C 48 65.513 65.350 0.163 1
1 549 . 20 1 1 A 48 48 PRO CB C 48 31.712 31.903 -0.191 1
1 552 . 20 1 1 A 49 49 ASN H H 49 8.559 8.955 -0.396 1
1 553 . 20 1 1 A 49 49 ASN HA H 49 4.818 4.517 0.301 1
1 558 . 20 1 1 A 49 49 ASN C C 49 175.715 176.101 -0.386 1
1 559 . 20 1 1 A 49 49 ASN CA C 49 53.372 54.323 -0.951 1
1 560 . 20 1 1 A 49 49 ASN CB C 49 37.351 36.960 0.391 1
1 561 . 20 1 1 A 49 49 ASN N N 49 114.836 114.613 0.223 1
1 563 . 20 1 1 A 50 50 LYS H H 50 7.627 7.524 0.103 1
1 564 . 20 1 1 A 50 50 LYS HA H 50 4.480 4.253 0.227 1
1 573 . 20 1 1 A 50 50 LYS C C 50 175.079 175.539 -0.460 1
1 574 . 20 1 1 A 50 50 LYS CA C 50 53.336 55.665 -2.329 1
1 575 . 20 1 1 A 50 50 LYS CB C 50 31.284 31.936 -0.652 1
1 579 . 20 1 1 A 50 50 LYS N N 50 116.224 117.645 -1.421 1
1 580 . 20 1 1 A 51 51 ASN H H 51 7.945 7.644 0.301 1
1 581 . 20 1 1 A 51 51 ASN HA H 51 4.304 4.294 0.010 1
1 586 . 20 1 1 A 51 51 ASN C C 51 175.195 174.018 1.177 1
1 587 . 20 1 1 A 51 51 ASN CA C 51 54.089 53.818 0.271 1
1 588 . 20 1 1 A 51 51 ASN CB C 51 36.504 36.885 -0.381 1
1 589 . 20 1 1 A 51 51 ASN N N 51 115.331 116.873 -1.542 1
1 591 . 20 1 1 A 52 52 LEU H H 52 8.803 7.893 0.910 1
1 592 . 20 1 1 A 52 52 LEU HA H 52 3.412 3.811 -0.399 1
1 602 . 20 1 1 A 52 52 LEU C C 52 174.674 175.945 -1.271 1
1 603 . 20 1 1 A 52 52 LEU CA C 52 53.983 54.267 -0.284 1
1 604 . 20 1 1 A 52 52 LEU CB C 52 42.471 40.161 2.310 1
1 608 . 20 1 1 A 52 52 LEU N N 52 121.765 119.657 2.108 1
1 609 . 20 1 1 A 53 53 LYS H H 53 7.099 8.185 -1.086 1
1 610 . 20 1 1 A 53 53 LYS HA H 53 4.324 4.712 -0.388 1
1 619 . 20 1 1 A 53 53 LYS C C 53 173.460 176.730 -3.270 1
1 620 . 20 1 1 A 53 53 LYS CA C 53 54.843 54.613 0.230 1
1 621 . 20 1 1 A 53 53 LYS CB C 53 36.395 34.453 1.942 1
1 625 . 20 1 1 A 53 53 LYS N N 53 124.403 123.961 0.442 1
1 626 . 20 1 1 A 54 54 LYS H H 54 8.805 8.891 -0.086 1
1 627 . 20 1 1 A 54 54 LYS HA H 54 3.692 3.848 -0.156 1
1 636 . 20 1 1 A 54 54 LYS C C 54 173.344 176.186 -2.842 1
1 637 . 20 1 1 A 54 54 LYS CA C 54 56.366 58.078 -1.712 1
1 638 . 20 1 1 A 54 54 LYS CB C 54 29.830 30.748 -0.918 1
1 642 . 20 1 1 A 54 54 LYS N N 54 118.125 117.576 0.549 1
1 643 . 20 1 1 A 55 55 ASN H H 55 7.567 8.351 -0.784 1
1 644 . 20 1 1 A 55 55 ASN HA H 55 4.643 4.715 -0.072 1
1 649 . 20 1 1 A 55 55 ASN C C 55 172.188 175.032 -2.844 1
1 650 . 20 1 1 A 55 55 ASN CA C 55 51.091 51.849 -0.758 1
1 651 . 20 1 1 A 55 55 ASN CB C 55 37.234 38.597 -1.363 1
1 652 . 20 1 1 A 55 55 ASN N N 55 123.893 121.908 1.985 1
1 654 . 20 1 1 A 56 56 TYR H H 56 7.584 7.846 -0.262 1
1 655 . 20 1 1 A 56 56 TYR HA H 56 4.892 5.224 -0.332 1
1 662 . 20 1 1 A 56 56 TYR C C 56 177.276 176.136 1.140 1
1 663 . 20 1 1 A 56 56 TYR CA C 56 54.447 58.423 -3.976 1
1 664 . 20 1 1 A 56 56 TYR CB C 56 38.633 39.487 -0.854 1
1 669 . 20 1 1 A 56 56 TYR N N 56 115.237 119.993 -4.756 1
1 670 . 20 1 1 A 57 57 CYS H H 57 9.149 8.941 0.208 1
1 671 . 20 1 1 A 57 57 CYS HA H 57 4.398 5.065 -0.667 1
1 674 . 20 1 1 A 57 57 CYS C C 57 175.600 174.611 0.989 1
1 675 . 20 1 1 A 57 57 CYS CA C 57 59.824 56.481 3.343 1
1 676 . 20 1 1 A 57 57 CYS CB C 57 48.356 42.692 5.664 1
1 677 . 20 1 1 A 57 57 CYS N N 57 119.273 121.855 -2.582 1
1 678 . 20 1 1 A 58 58 ARG H H 58 9.138 8.780 0.358 1
1 679 . 20 1 1 A 58 58 ARG HA H 58 4.918 5.146 -0.228 1
1 687 . 20 1 1 A 58 58 ARG C C 58 173.576 174.376 -0.800 1
1 688 . 20 1 1 A 58 58 ARG CA C 58 53.187 54.352 -1.165 1
1 689 . 20 1 1 A 58 58 ARG CB C 58 29.412 34.545 -5.133 1
1 692 . 20 1 1 A 58 58 ARG N N 58 122.881 125.265 -2.384 1
1 694 . 20 1 1 A 59 59 ASN H H 59 8.868 8.536 0.332 1
1 695 . 20 1 1 A 59 59 ASN HA H 59 5.513 5.000 0.513 1
1 700 . 20 1 1 A 59 59 ASN C C 59 172.824 173.698 -0.874 1
1 701 . 20 1 1 A 59 59 ASN CA C 59 53.176 50.106 3.070 1
1 702 . 20 1 1 A 59 59 ASN CB C 59 37.237 39.084 -1.847 1
1 703 . 20 1 1 A 59 59 ASN N N 59 113.603 119.323 -5.720 1
1 705 . 20 1 1 A 60 60 PRO HA H 60 4.712 4.109 0.603 1
1 712 . 20 1 1 A 60 60 PRO C C 60 175.715 177.392 -1.677 1
1 713 . 20 1 1 A 60 60 PRO CA C 60 63.643 64.385 -0.742 1
1 714 . 20 1 1 A 60 60 PRO CB C 60 32.507 31.324 1.183 1
1 717 . 20 1 1 A 61 61 ASP H H 61 8.883 7.567 1.316 1
1 718 . 20 1 1 A 61 61 ASP HA H 61 4.495 4.164 0.331 1
1 721 . 20 1 1 A 61 61 ASP C C 61 174.848 175.486 -0.638 1
1 722 . 20 1 1 A 61 61 ASP CA C 61 51.953 53.724 -1.771 1
1 723 . 20 1 1 A 61 61 ASP CB C 61 42.092 40.371 1.721 1
1 724 . 20 1 1 A 61 61 ASP N N 61 118.660 115.102 3.558 1
1 725 . 20 1 1 A 62 62 ARG H H 62 8.395 7.425 0.970 1
1 726 . 20 1 1 A 62 62 ARG HA H 62 3.789 4.216 -0.427 1
1 734 . 20 1 1 A 62 62 ARG C C 62 176.236 174.571 1.665 1
1 735 . 20 1 1 A 62 62 ARG CA C 62 57.318 56.919 0.399 1
1 736 . 20 1 1 A 62 62 ARG CB C 62 26.990 27.488 -0.498 1
1 739 . 20 1 1 A 62 62 ARG N N 62 116.013 115.054 0.959 1
1 741 . 20 1 1 A 63 63 ASP H H 63 9.735 7.870 1.865 1
1 742 . 20 1 1 A 63 63 ASP HA H 63 4.769 4.716 0.053 1
1 745 . 20 1 1 A 63 63 ASP C C 63 177.334 176.355 0.979 1
1 746 . 20 1 1 A 63 63 ASP CA C 63 51.973 52.507 -0.534 1
1 747 . 20 1 1 A 63 63 ASP CB C 63 42.698 43.120 -0.422 1
1 748 . 20 1 1 A 63 63 ASP N N 63 121.799 117.832 3.967 1
1 749 . 20 1 1 A 64 64 LEU H H 64 10.919 8.738 2.181 1
1 750 . 20 1 1 A 64 64 LEU HA H 64 3.995 4.268 -0.273 1
1 760 . 20 1 1 A 64 64 LEU C C 64 176.467 176.812 -0.345 1
1 761 . 20 1 1 A 64 64 LEU CA C 64 57.772 56.166 1.606 1
1 762 . 20 1 1 A 64 64 LEU CB C 64 43.630 43.149 0.481 1
1 766 . 20 1 1 A 64 64 LEU N N 64 121.789 121.926 -0.137 1
1 767 . 20 1 1 A 65 65 ARG H H 65 7.633 7.808 -0.175 1
1 768 . 20 1 1 A 65 65 ARG HA H 65 5.006 4.826 0.180 1
1 776 . 20 1 1 A 65 65 ARG C C 65 172.130 173.993 -1.863 1
1 777 . 20 1 1 A 65 65 ARG CA C 65 53.368 53.909 -0.541 1
1 778 . 20 1 1 A 65 65 ARG CB C 65 28.429 33.735 -5.306 1
1 781 . 20 1 1 A 65 65 ARG N N 65 108.790 118.335 -9.545 1
1 783 . 20 1 1 A 66 66 PRO HA H 66 4.281 4.687 -0.406 1
1 790 . 20 1 1 A 66 66 PRO C C 66 172.940 176.255 -3.315 1
1 791 . 20 1 1 A 66 66 PRO CA C 66 63.677 63.326 0.351 1
1 792 . 20 1 1 A 66 66 PRO CB C 66 32.592 32.928 -0.336 1
1 795 . 20 1 1 A 67 67 TRP H H 67 8.716 8.889 -0.173 1
1 796 . 20 1 1 A 67 67 TRP HA H 67 5.406 5.367 0.039 1
1 805 . 20 1 1 A 67 67 TRP C C 67 172.919 173.783 -0.864 1
1 806 . 20 1 1 A 67 67 TRP CA C 67 56.035 55.599 0.436 1
1 807 . 20 1 1 A 67 67 TRP CB C 67 34.026 31.716 2.310 1
1 813 . 20 1 1 A 67 67 TRP N N 67 121.250 118.348 2.902 1
1 815 . 20 1 1 A 68 68 CYS H H 68 8.384 9.288 -0.904 1
1 816 . 20 1 1 A 68 68 CYS HA H 68 4.265 4.881 -0.616 1
1 819 . 20 1 1 A 68 68 CYS C C 68 175.079 173.093 1.986 1
1 820 . 20 1 1 A 68 68 CYS CA C 68 55.876 55.469 0.407 1
1 821 . 20 1 1 A 68 68 CYS CB C 68 42.232 45.947 -3.715 1
1 822 . 20 1 1 A 68 68 CYS N N 68 109.624 117.459 -7.835 1
1 823 . 20 1 1 A 69 69 PHE H H 69 8.031 8.473 -0.442 1
1 824 . 20 1 1 A 69 69 PHE HA H 69 5.420 5.093 0.327 1
1 832 . 20 1 1 A 69 69 PHE C C 69 176.814 175.684 1.130 1
1 833 . 20 1 1 A 69 69 PHE CA C 69 59.299 57.925 1.374 1
1 834 . 20 1 1 A 69 69 PHE CB C 69 38.411 39.730 -1.319 1
1 840 . 20 1 1 A 69 69 PHE N N 69 120.433 121.498 -1.065 1
1 841 . 20 1 1 A 70 70 THR H H 70 8.002 8.352 -0.350 1
1 842 . 20 1 1 A 70 70 THR HA H 70 5.408 5.021 0.387 1
1 848 . 20 1 1 A 70 70 THR C C 70 173.518 175.807 -2.289 1
1 849 . 20 1 1 A 70 70 THR CA C 70 61.208 60.079 1.129 1
1 850 . 20 1 1 A 70 70 THR CB C 70 70.441 71.252 -0.811 1
1 852 . 20 1 1 A 70 70 THR N N 70 112.351 114.130 -1.779 1
1 853 . 20 1 1 A 71 71 THR H H 71 8.126 8.587 -0.461 1
1 854 . 20 1 1 A 71 71 THR HA H 71 4.037 4.351 -0.314 1
1 860 . 20 1 1 A 71 71 THR C C 71 174.903 174.466 0.437 1
1 861 . 20 1 1 A 71 71 THR CA C 71 62.413 63.509 -1.096 1
1 862 . 20 1 1 A 71 71 THR CB C 71 69.167 69.171 -0.004 1
1 864 . 20 1 1 A 71 71 THR N N 71 104.863 113.521 -8.658 1
1 865 . 20 1 1 A 72 72 ASP H H 72 9.024 7.735 1.289 1
1 866 . 20 1 1 A 72 72 ASP HA H 72 4.936 4.769 0.167 1
1 869 . 20 1 1 A 72 72 ASP C C 72 176.929 176.308 0.621 1
1 870 . 20 1 1 A 72 72 ASP CA C 72 51.333 52.378 -1.045 1
1 871 . 20 1 1 A 72 72 ASP CB C 72 43.416 42.287 1.129 1
1 872 . 20 1 1 A 72 72 ASP N N 72 126.242 124.024 2.218 1
1 873 . 20 1 1 A 73 73 PRO HA H 73 3.962 4.393 -0.431 1
1 880 . 20 1 1 A 73 73 PRO C C 73 177.045 178.270 -1.225 1
1 881 . 20 1 1 A 73 73 PRO CA C 73 64.632 65.311 -0.679 1
1 882 . 20 1 1 A 73 73 PRO CB C 73 32.460 31.789 0.671 1
1 885 . 20 1 1 A 74 74 ASN H H 74 8.943 8.128 0.815 1
1 886 . 20 1 1 A 74 74 ASN HA H 74 4.854 4.606 0.248 1
1 891 . 20 1 1 A 74 74 ASN C C 74 174.443 176.023 -1.580 1
1 892 . 20 1 1 A 74 74 ASN CA C 74 53.380 56.146 -2.766 1
1 893 . 20 1 1 A 74 74 ASN CB C 74 39.333 38.861 0.472 1
1 894 . 20 1 1 A 74 74 ASN N N 74 114.144 115.451 -1.307 1
1 896 . 20 1 1 A 75 75 LYS H H 75 7.795 7.285 0.510 1
1 897 . 20 1 1 A 75 75 LYS HA H 75 4.571 4.278 0.293 1
1 906 . 20 1 1 A 75 75 LYS C C 75 173.402 176.380 -2.978 1
1 907 . 20 1 1 A 75 75 LYS CA C 75 54.154 55.936 -1.782 1
1 908 . 20 1 1 A 75 75 LYS CB C 75 32.186 33.141 -0.955 1
1 912 . 20 1 1 A 75 75 LYS N N 75 122.835 118.946 3.889 1
1 913 . 20 1 1 A 76 76 ARG H H 76 9.132 8.823 0.309 1
1 914 . 20 1 1 A 76 76 ARG HA H 76 4.555 3.771 0.784 1
1 922 . 20 1 1 A 76 76 ARG C C 76 175.137 175.987 -0.850 1
1 923 . 20 1 1 A 76 76 ARG CA C 76 60.532 57.528 3.004 1
1 924 . 20 1 1 A 76 76 ARG CB C 76 29.307 31.633 -2.326 1
1 927 . 20 1 1 A 76 76 ARG N N 76 129.676 126.851 2.825 1
1 929 . 20 1 1 A 77 77 TRP H H 77 7.559 7.495 0.064 1
1 930 . 20 1 1 A 77 77 TRP HA H 77 5.357 5.129 0.228 1
1 939 . 20 1 1 A 77 77 TRP C C 77 172.940 173.972 -1.032 1
1 940 . 20 1 1 A 77 77 TRP CA C 77 55.044 55.538 -0.494 1
1 941 . 20 1 1 A 77 77 TRP CB C 77 31.951 31.279 0.672 1
1 947 . 20 1 1 A 77 77 TRP N N 77 109.174 114.115 -4.941 1
1 949 . 20 1 1 A 78 78 GLU H H 78 8.638 8.979 -0.341 1
1 950 . 20 1 1 A 78 78 GLU HA H 78 3.671 4.409 -0.738 1
1 955 . 20 1 1 A 78 78 GLU C C 78 174.501 175.048 -0.547 1
1 956 . 20 1 1 A 78 78 GLU CA C 78 55.659 55.484 0.175 1
1 957 . 20 1 1 A 78 78 GLU CB C 78 34.557 34.093 0.464 1
1 959 . 20 1 1 A 78 78 GLU N N 78 118.907 119.733 -0.826 1
1 960 . 20 1 1 A 79 79 TYR H H 79 7.636 8.745 -1.109 1
1 961 . 20 1 1 A 79 79 TYR HA H 79 4.995 5.023 -0.028 1
1 968 . 20 1 1 A 79 79 TYR C C 79 175.889 175.700 0.189 1
1 969 . 20 1 1 A 79 79 TYR CA C 79 60.120 58.946 1.174 1
1 970 . 20 1 1 A 79 79 TYR CB C 79 39.789 38.950 0.839 1
1 975 . 20 1 1 A 79 79 TYR N N 79 119.277 121.524 -2.247 1
1 976 . 20 1 1 A 80 80 CYS H H 80 9.398 8.945 0.453 1
1 977 . 20 1 1 A 80 80 CYS HA H 80 4.720 5.453 -0.733 1
1 980 . 20 1 1 A 80 80 CYS C C 80 172.419 171.707 0.712 1
1 981 . 20 1 1 A 80 80 CYS CA C 80 54.618 54.935 -0.317 1
1 982 . 20 1 1 A 80 80 CYS CB C 80 46.736 46.029 0.707 1
1 983 . 20 1 1 A 80 80 CYS N N 80 118.623 120.561 -1.938 1
1 984 . 20 1 1 A 81 81 ASP H H 81 9.729 8.972 0.757 1
1 985 . 20 1 1 A 81 81 ASP HA H 81 4.781 4.883 -0.102 1
1 988 . 20 1 1 A 81 81 ASP C C 81 173.576 174.577 -1.001 1
1 989 . 20 1 1 A 81 81 ASP CA C 81 52.855 53.052 -0.197 1
1 990 . 20 1 1 A 81 81 ASP CB C 81 40.733 40.939 -0.206 1
1 991 . 20 1 1 A 81 81 ASP N N 81 124.777 125.958 -1.181 1
1 992 . 20 1 1 A 82 82 ILE H H 82 7.820 8.210 -0.390 1
1 993 . 20 1 1 A 82 82 ILE HA H 82 4.320 4.519 -0.199 1
1 1003 . 20 1 1 A 82 82 ILE C C 82 173.923 174.048 -0.125 1
1 1004 . 20 1 1 A 82 82 ILE CA C 82 56.118 58.101 -1.983 1
1 1005 . 20 1 1 A 82 82 ILE CB C 82 38.166 37.623 0.543 1
1 1009 . 20 1 1 A 82 82 ILE N N 82 125.281 126.330 -1.049 1
1 1010 . 20 1 1 A 83 83 PRO HA H 83 4.337 4.427 -0.090 1
1 1017 . 20 1 1 A 83 83 PRO C C 83 175.167 176.504 -1.337 1
1 1018 . 20 1 1 A 83 83 PRO CA C 83 62.844 63.363 -0.519 1
1 1019 . 20 1 1 A 83 83 PRO CB C 83 32.450 32.108 0.342 1
1 1022 . 20 1 1 A 84 84 ARG H H 84 8.656 8.535 0.121 1
1 1023 . 20 1 1 A 84 84 ARG HA H 84 4.658 4.769 -0.111 1
1 1031 . 20 1 1 A 84 84 ARG C C 84 175.137 175.128 0.009 1
1 1032 . 20 1 1 A 84 84 ARG CA C 84 55.617 55.108 0.509 1
1 1033 . 20 1 1 A 84 84 ARG CB C 84 30.482 32.246 -1.764 1
1 1036 . 20 1 1 A 84 84 ARG N N 84 122.316 121.699 0.617 1
1 1038 . 20 1 1 A 85 85 CYS H H 85 8.783 8.745 0.038 1
1 1039 . 20 1 1 A 85 85 CYS HA H 85 4.479 5.090 -0.611 1
1 1042 . 20 1 1 A 85 85 CYS C C 85 174.906 174.768 0.138 1
1 1043 . 20 1 1 A 85 85 CYS CA C 85 54.177 54.651 -0.474 1
1 1044 . 20 1 1 A 85 85 CYS CB C 85 39.574 45.638 -6.064 1
1 1045 . 20 1 1 A 85 85 CYS N N 85 124.002 121.137 2.865 1
1 1046 . 20 1 1 A 86 86 ALA H H 86 8.746 8.666 0.080 1
1 1047 . 20 1 1 A 86 86 ALA HA H 86 4.255 4.530 -0.275 1
1 1051 . 20 1 1 A 86 86 ALA C C 86 176.236 176.368 -0.132 1
1 1052 . 20 1 1 A 86 86 ALA CA C 86 53.067 52.516 0.551 1
1 1053 . 20 1 1 A 86 86 ALA CB C 86 19.034 19.083 -0.049 1
1 1054 . 20 1 1 A 86 86 ALA N N 86 126.444 124.465 1.979 1
1 1064 . 20 2 2 B 2 2 SER HA H 100 4.570 4.240 0.330 1
1 1067 . 20 2 2 B 2 2 SER C C 100 174.779 175.439 -0.660 1
1 1068 . 20 2 2 B 2 2 SER CA C 100 58.624 61.369 -2.745 1
1 1069 . 20 2 2 B 2 2 SER CB C 100 63.939 63.316 0.623 1
1 1070 . 20 2 2 B 3 3 VAL H H 101 8.341 7.703 0.638 1
1 1071 . 20 2 2 B 3 3 VAL HA H 101 4.151 3.693 0.458 1
1 1079 . 20 2 2 B 3 3 VAL C C 101 176.450 174.491 1.959 1
1 1080 . 20 2 2 B 3 3 VAL CA C 101 62.793 65.567 -2.774 1
1 1081 . 20 2 2 B 3 3 VAL CB C 101 32.495 29.656 2.839 1
1 1084 . 20 2 2 B 3 3 VAL N N 101 121.954 116.970 4.984 1
1 1085 . 20 2 2 B 4 4 GLU H H 102 8.521 8.591 -0.070 1
1 1086 . 20 2 2 B 4 4 GLU HA H 102 4.291 4.527 -0.236 1
1 1091 . 20 2 2 B 4 4 GLU C C 102 176.450 175.608 0.842 1
1 1092 . 20 2 2 B 4 4 GLU CA C 102 56.955 54.925 2.030 1
1 1093 . 20 2 2 B 4 4 GLU CB C 102 30.233 29.674 0.559 1
1 1095 . 20 2 2 B 4 4 GLU N N 102 124.722 120.348 4.374 1
1 1096 . 20 2 2 B 5 5 LYS H H 103 8.323 8.703 -0.380 1
1 1097 . 20 2 2 B 5 5 LYS HA H 103 4.313 4.552 -0.239 1
1 1106 . 20 2 2 B 5 5 LYS C C 103 176.784 177.221 -0.437 1
1 1107 . 20 2 2 B 5 5 LYS CA C 103 56.688 56.202 0.486 1
1 1108 . 20 2 2 B 5 5 LYS CB C 103 30.228 33.927 -3.699 1
1 1112 . 20 2 2 B 5 5 LYS N N 103 122.689 127.002 -4.313 1
1 1113 . 20 2 2 B 6 6 LEU H H 104 8.369 7.660 0.709 1
1 1114 . 20 2 2 B 6 6 LEU HA H 104 4.500 4.521 -0.021 1
1 1124 . 20 2 2 B 6 6 LEU C C 104 177.632 176.602 1.030 1
1 1125 . 20 2 2 B 6 6 LEU CA C 104 55.480 54.265 1.215 1
1 1126 . 20 2 2 B 6 6 LEU CB C 104 42.587 42.825 -0.238 1
1 1130 . 20 2 2 B 6 6 LEU N N 104 123.373 119.253 4.120 1
1 1131 . 20 2 2 B 7 7 THR HA H 105 4.558 4.361 0.197 1
1 1137 . 20 2 2 B 7 7 THR C C 105 175.614 175.544 0.070 1
1 1138 . 20 2 2 B 7 7 THR CA C 105 62.000 60.832 1.168 1
1 1139 . 20 2 2 B 7 7 THR CB C 105 70.090 70.902 -0.812 1
1 1141 . 20 2 2 B 8 8 ALA H H 106 8.649 8.984 -0.335 1
1 1142 . 20 2 2 B 8 8 ALA HA H 106 4.458 4.041 0.417 1
1 1146 . 20 2 2 B 8 8 ALA C C 106 179.290 179.321 -0.031 1
1 1147 . 20 2 2 B 8 8 ALA CA C 106 55.552 55.782 -0.230 1
1 1148 . 20 2 2 B 8 8 ALA CB C 106 18.704 18.296 0.408 1
1 1149 . 20 2 2 B 8 8 ALA N N 106 124.857 124.671 0.186 1
1 1150 . 20 2 2 B 9 9 ASP H H 107 8.286 8.279 0.007 1
1 1151 . 20 2 2 B 9 9 ASP HA H 107 4.457 4.420 0.037 1
1 1154 . 20 2 2 B 9 9 ASP C C 107 178.845 177.873 0.972 1
1 1155 . 20 2 2 B 9 9 ASP CA C 107 57.733 56.488 1.245 1
1 1156 . 20 2 2 B 9 9 ASP CB C 107 40.881 40.624 0.257 1
1 1157 . 20 2 2 B 9 9 ASP N N 107 115.621 118.022 -2.401 1
1 1158 . 20 2 2 B 10 10 ALA H H 108 7.887 7.552 0.335 1
1 1159 . 20 2 2 B 10 10 ALA HA H 108 4.182 4.180 0.002 1
1 1163 . 20 2 2 B 10 10 ALA C C 108 180.906 179.344 1.562 1
1 1164 . 20 2 2 B 10 10 ALA CA C 108 55.014 54.717 0.297 1
1 1165 . 20 2 2 B 10 10 ALA CB C 108 18.631 18.686 -0.055 1
1 1166 . 20 2 2 B 10 10 ALA N N 108 122.756 122.220 0.536 1
1 1167 . 20 2 2 B 11 11 GLU H H 109 8.390 8.424 -0.034 1
1 1168 . 20 2 2 B 11 11 GLU HA H 109 4.256 4.099 0.157 1
1 1173 . 20 2 2 B 11 11 GLU C C 109 178.678 178.373 0.305 1
1 1174 . 20 2 2 B 11 11 GLU CA C 109 59.105 59.189 -0.084 1
1 1175 . 20 2 2 B 11 11 GLU CB C 109 29.559 29.451 0.108 1
1 1177 . 20 2 2 B 11 11 GLU N N 109 121.999 119.197 2.802 1
1 1178 . 20 2 2 B 12 12 LEU H H 110 8.395 8.384 0.011 1
1 1179 . 20 2 2 B 12 12 LEU HA H 110 3.808 4.052 -0.244 1
1 1189 . 20 2 2 B 12 12 LEU C C 110 178.288 178.452 -0.164 1
1 1190 . 20 2 2 B 12 12 LEU CA C 110 58.407 57.898 0.509 1
1 1191 . 20 2 2 B 12 12 LEU CB C 110 41.329 41.396 -0.067 1
1 1195 . 20 2 2 B 12 12 LEU N N 110 119.939 121.162 -1.223 1
1 1196 . 20 2 2 B 13 13 GLN H H 111 7.761 7.977 -0.216 1
1 1197 . 20 2 2 B 13 13 GLN HA H 111 4.008 3.929 0.079 1
1 1202 . 20 2 2 B 13 13 GLN C C 111 177.954 178.239 -0.285 1
1 1203 . 20 2 2 B 13 13 GLN CA C 111 58.674 59.424 -0.750 1
1 1204 . 20 2 2 B 13 13 GLN CB C 111 28.513 28.095 0.418 1
1 1206 . 20 2 2 B 13 13 GLN N N 111 117.305 118.101 -0.796 1
1 1207 . 20 2 2 B 14 14 ARG H H 112 7.752 7.930 -0.178 1
1 1208 . 20 2 2 B 14 14 ARG HA H 112 4.053 4.051 0.002 1
1 1216 . 20 2 2 B 14 14 ARG C C 112 179.625 179.132 0.493 1
1 1217 . 20 2 2 B 14 14 ARG CA C 112 59.770 59.015 0.755 1
1 1218 . 20 2 2 B 14 14 ARG CB C 112 29.884 29.929 -0.045 1
1 1221 . 20 2 2 B 14 14 ARG N N 112 121.241 119.968 1.273 1
1 1223 . 20 2 2 B 15 15 LEU H H 113 8.478 8.791 -0.313 1
1 1224 . 20 2 2 B 15 15 LEU HA H 113 3.974 3.977 -0.003 1
1 1234 . 20 2 2 B 15 15 LEU C C 113 180.627 179.280 1.347 1
1 1235 . 20 2 2 B 15 15 LEU CA C 113 58.251 58.035 0.216 1
1 1236 . 20 2 2 B 15 15 LEU CB C 113 41.751 41.766 -0.015 1
1 1240 . 20 2 2 B 15 15 LEU N N 113 120.898 119.690 1.208 1
1 1241 . 20 2 2 B 16 16 LYS H H 114 8.437 7.881 0.556 1
1 1242 . 20 2 2 B 16 16 LYS HA H 114 3.368 4.006 -0.638 1
1 1251 . 20 2 2 B 16 16 LYS C C 114 178.288 178.961 -0.673 1
1 1252 . 20 2 2 B 16 16 LYS CA C 114 60.242 59.774 0.468 1
1 1253 . 20 2 2 B 16 16 LYS CB C 114 30.249 32.020 -1.771 1
1 1257 . 20 2 2 B 16 16 LYS N N 114 123.214 120.979 2.235 1
1 1258 . 20 2 2 B 17 17 ASN H H 115 8.137 8.488 -0.351 1
1 1259 . 20 2 2 B 17 17 ASN HA H 115 4.270 4.472 -0.202 1
1 1264 . 20 2 2 B 17 17 ASN C C 115 178.288 177.855 0.433 1
1 1265 . 20 2 2 B 17 17 ASN CA C 115 56.318 56.076 0.242 1
1 1266 . 20 2 2 B 17 17 ASN CB C 115 37.573 37.796 -0.223 1
1 1267 . 20 2 2 B 17 17 ASN N N 115 117.923 118.184 -0.261 1
1 1269 . 20 2 2 B 18 18 GLU H H 116 8.110 8.628 -0.518 1
1 1270 . 20 2 2 B 18 18 GLU HA H 116 4.146 4.040 0.106 1
1 1275 . 20 2 2 B 18 18 GLU C C 116 178.956 179.421 -0.465 1
1 1276 . 20 2 2 B 18 18 GLU CA C 116 59.659 59.683 -0.024 1
1 1277 . 20 2 2 B 18 18 GLU CB C 116 29.950 29.188 0.762 1
1 1279 . 20 2 2 B 18 18 GLU N N 116 120.249 119.733 0.516 1
1 1280 . 20 2 2 B 19 19 ARG H H 117 7.925 8.195 -0.270 1
1 1281 . 20 2 2 B 19 19 ARG HA H 117 4.057 4.145 -0.088 1
1 1289 . 20 2 2 B 19 19 ARG C C 117 180.070 178.422 1.648 1
1 1290 . 20 2 2 B 19 19 ARG CA C 117 59.564 58.687 0.877 1
1 1291 . 20 2 2 B 19 19 ARG CB C 117 29.879 30.432 -0.553 1
1 1294 . 20 2 2 B 19 19 ARG N N 117 119.801 119.076 0.725 1
1 1296 . 20 2 2 B 20 20 HIS H H 118 8.316 7.779 0.537 1
1 1297 . 20 2 2 B 20 20 HIS HA H 118 4.574 4.395 0.179 1
1 1304 . 20 2 2 B 20 20 HIS C C 118 176.784 177.875 -1.091 1
1 1305 . 20 2 2 B 20 20 HIS CA C 118 58.397 59.444 -1.047 1
1 1306 . 20 2 2 B 20 20 HIS CB C 118 29.343 30.483 -1.140 1
1 1309 . 20 2 2 B 20 20 HIS N N 118 117.802 117.641 0.161 1
1 1310 . 20 2 2 B 21 21 GLU H H 119 8.400 8.546 -0.146 1
1 1311 . 20 2 2 B 21 21 GLU HA H 119 4.268 3.805 0.463 1
1 1316 . 20 2 2 B 21 21 GLU C C 119 178.566 179.330 -0.764 1
1 1317 . 20 2 2 B 21 21 GLU CA C 119 59.105 60.078 -0.973 1
1 1318 . 20 2 2 B 21 21 GLU CB C 119 29.559 29.382 0.177 1
1 1320 . 20 2 2 B 21 21 GLU N N 119 121.996 120.133 1.863 1
1 1321 . 20 2 2 B 22 22 GLU H H 120 8.285 8.541 -0.256 1
1 1322 . 20 2 2 B 22 22 GLU HA H 120 4.204 4.014 0.190 1
1 1327 . 20 2 2 B 22 22 GLU C C 120 178.288 179.140 -0.852 1
1 1328 . 20 2 2 B 22 22 GLU CA C 120 58.841 59.296 -0.455 1
1 1329 . 20 2 2 B 22 22 GLU CB C 120 29.322 29.311 0.011 1
1 1331 . 20 2 2 B 22 22 GLU N N 120 119.798 120.787 -0.989 1
1 1332 . 20 2 2 B 23 23 ALA H H 121 8.037 8.204 -0.167 1
1 1333 . 20 2 2 B 23 23 ALA HA H 121 4.270 3.990 0.280 1
1 1337 . 20 2 2 B 23 23 ALA C C 121 179.569 179.419 0.150 1
1 1338 . 20 2 2 B 23 23 ALA CA C 121 54.158 55.056 -0.898 1
1 1339 . 20 2 2 B 23 23 ALA CB C 121 18.923 18.152 0.771 1
1 1340 . 20 2 2 B 23 23 ALA N N 121 122.418 122.556 -0.138 1
1 1341 . 20 2 2 B 24 24 GLU H H 122 8.039 7.817 0.222 1
1 1342 . 20 2 2 B 24 24 GLU HA H 122 4.291 3.974 0.317 1
1 1347 . 20 2 2 B 24 24 GLU C C 122 177.954 179.473 -1.519 1
1 1348 . 20 2 2 B 24 24 GLU CA C 122 58.023 59.428 -1.405 1
1 1349 . 20 2 2 B 24 24 GLU CB C 122 29.566 29.309 0.257 1
1 1351 . 20 2 2 B 24 24 GLU N N 122 119.517 118.303 1.214 1
1 1352 . 20 2 2 B 25 25 LEU H H 123 7.962 8.776 -0.814 1
1 1353 . 20 2 2 B 25 25 LEU HA H 123 4.226 3.977 0.249 1
1 1363 . 20 2 2 B 25 25 LEU C C 123 179.123 179.537 -0.414 1
1 1364 . 20 2 2 B 25 25 LEU CA C 123 57.213 58.046 -0.833 1
1 1365 . 20 2 2 B 25 25 LEU CB C 123 41.809 41.449 0.360 1
1 1369 . 20 2 2 B 25 25 LEU N N 123 120.617 120.050 0.567 1
1 1370 . 20 2 2 B 26 26 GLU H H 124 8.093 8.610 -0.517 1
1 1371 . 20 2 2 B 26 26 GLU HA H 124 4.140 3.979 0.161 1
1 1376 . 20 2 2 B 26 26 GLU C C 124 177.954 178.682 -0.728 1
1 1377 . 20 2 2 B 26 26 GLU CA C 124 58.095 59.001 -0.906 1
1 1378 . 20 2 2 B 26 26 GLU CB C 124 29.910 29.404 0.506 1
1 1380 . 20 2 2 B 26 26 GLU N N 124 119.473 120.540 -1.067 1
1 1381 . 20 2 2 B 27 27 ARG H H 125 7.954 8.039 -0.085 1
1 1382 . 20 2 2 B 27 27 ARG HA H 125 4.210 4.108 0.102 1
1 1390 . 20 2 2 B 27 27 ARG C C 125 177.619 178.380 -0.761 1
1 1391 . 20 2 2 B 27 27 ARG CA C 125 57.677 59.005 -1.328 1
1 1392 . 20 2 2 B 27 27 ARG CB C 125 30.374 30.080 0.294 1
1 1395 . 20 2 2 B 27 27 ARG N N 125 120.670 120.211 0.459 1
1 1397 . 20 2 2 B 28 28 LEU H H 126 8.038 8.271 -0.233 1
1 1398 . 20 2 2 B 28 28 LEU HA H 126 4.270 4.115 0.155 1
1 1408 . 20 2 2 B 28 28 LEU C C 126 178.065 178.382 -0.317 1
1 1409 . 20 2 2 B 28 28 LEU CA C 126 56.096 57.576 -1.480 1
1 1410 . 20 2 2 B 28 28 LEU CB C 126 42.252 40.876 1.376 1
1 1414 . 20 2 2 B 28 28 LEU N N 126 120.818 121.041 -0.223 1
1 1415 . 20 2 2 B 29 29 LYS H H 127 7.944 7.647 0.297 1
1 1416 . 20 2 2 B 29 29 LYS HA H 127 4.270 4.087 0.183 1
1 1425 . 20 2 2 B 29 29 LYS C C 127 176.951 177.992 -1.041 1
1 1426 . 20 2 2 B 29 29 LYS CA C 127 57.168 58.582 -1.414 1
1 1427 . 20 2 2 B 29 29 LYS CB C 127 32.755 32.141 0.614 1
1 1431 . 20 2 2 B 29 29 LYS N N 127 119.960 119.733 0.227 1
1 1432 . 20 2 2 B 30 30 SER H H 128 8.030 7.725 0.305 1
1 1433 . 20 2 2 B 30 30 SER HA H 128 4.466 4.780 -0.314 1
1 1436 . 20 2 2 B 30 30 SER C C 128 176.101 173.621 2.480 1
1 1437 . 20 2 2 B 30 30 SER CA C 128 58.590 57.859 0.731 1
1 1438 . 20 2 2 B 30 30 SER CB C 128 63.939 63.096 0.843 1
1 1439 . 20 2 2 B 30 30 SER N N 128 115.496 112.355 3.141 1
1 1440 . 20 2 2 B 31 31 GLU H H 129 8.157 7.499 0.658 1
1 1441 . 20 2 2 B 31 31 GLU HA H 129 4.291 4.419 -0.128 1
1 1446 . 20 2 2 B 31 31 GLU C C 129 175.112 175.377 -0.265 1
1 1447 . 20 2 2 B 31 31 GLU CA C 129 56.654 56.603 0.051 1
1 1448 . 20 2 2 B 31 31 GLU CB C 129 30.389 30.047 0.342 1
1 1450 . 20 2 2 B 31 31 GLU N N 129 122.569 119.901 2.668 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 85 1.334 1
2 1 1 1 "RMS(OBS, PRED)" CA 85 1.398 1
3 1 1 1 "RMS(OBS, PRED)" CB 80 1.791 1
4 1 1 1 "RMS(OBS, PRED)" H 78 0.882 1
5 1 1 1 "RMS(OBS, PRED)" HA 90 0.357 1
6 1 1 1 "RMS(OBS, PRED)" N 78 3.804 1
7 1 1 2 "RMS(OBS, PRED)" C 30 1.071 1
8 1 1 2 "RMS(OBS, PRED)" CA 30 0.989 1
9 1 1 2 "RMS(OBS, PRED)" CB 30 1.094 1
10 1 1 2 "RMS(OBS, PRED)" H 28 0.480 1
11 1 1 2 "RMS(OBS, PRED)" HA 30 0.250 1
12 1 1 2 "RMS(OBS, PRED)" N 28 2.480 1
13 1 2 1 "RMS(OBS, PRED)" C 85 1.365 1
14 1 2 1 "RMS(OBS, PRED)" CA 85 1.360 1
15 1 2 1 "RMS(OBS, PRED)" CB 80 1.806 1
16 1 2 1 "RMS(OBS, PRED)" H 78 0.869 1
17 1 2 1 "RMS(OBS, PRED)" HA 90 0.358 1
18 1 2 1 "RMS(OBS, PRED)" N 78 3.642 1
19 1 2 2 "RMS(OBS, PRED)" C 30 0.924 1
20 1 2 2 "RMS(OBS, PRED)" CA 30 1.096 1
21 1 2 2 "RMS(OBS, PRED)" CB 30 0.798 1
22 1 2 2 "RMS(OBS, PRED)" H 28 0.449 1
23 1 2 2 "RMS(OBS, PRED)" HA 30 0.253 1
24 1 2 2 "RMS(OBS, PRED)" N 28 2.531 1
25 1 3 1 "RMS(OBS, PRED)" C 85 1.325 1
26 1 3 1 "RMS(OBS, PRED)" CA 85 1.369 1
27 1 3 1 "RMS(OBS, PRED)" CB 80 1.725 1
28 1 3 1 "RMS(OBS, PRED)" H 78 0.916 1
29 1 3 1 "RMS(OBS, PRED)" HA 90 0.362 1
30 1 3 1 "RMS(OBS, PRED)" N 78 4.226 1
31 1 3 2 "RMS(OBS, PRED)" C 30 0.992 1
32 1 3 2 "RMS(OBS, PRED)" CA 30 1.122 1
33 1 3 2 "RMS(OBS, PRED)" CB 30 1.261 1
34 1 3 2 "RMS(OBS, PRED)" H 28 0.428 1
35 1 3 2 "RMS(OBS, PRED)" HA 30 0.315 1
36 1 3 2 "RMS(OBS, PRED)" N 28 2.086 1
37 1 4 1 "RMS(OBS, PRED)" C 85 1.381 1
38 1 4 1 "RMS(OBS, PRED)" CA 85 1.423 1
39 1 4 1 "RMS(OBS, PRED)" CB 80 1.812 1
40 1 4 1 "RMS(OBS, PRED)" H 78 0.954 1
41 1 4 1 "RMS(OBS, PRED)" HA 90 0.363 1
42 1 4 1 "RMS(OBS, PRED)" N 78 4.069 1
43 1 4 2 "RMS(OBS, PRED)" C 30 1.130 1
44 1 4 2 "RMS(OBS, PRED)" CA 30 1.372 1
45 1 4 2 "RMS(OBS, PRED)" CB 30 1.195 1
46 1 4 2 "RMS(OBS, PRED)" H 28 0.374 1
47 1 4 2 "RMS(OBS, PRED)" HA 30 0.290 1
48 1 4 2 "RMS(OBS, PRED)" N 28 2.413 1
49 1 5 1 "RMS(OBS, PRED)" C 85 1.400 1
50 1 5 1 "RMS(OBS, PRED)" CA 85 1.465 1
51 1 5 1 "RMS(OBS, PRED)" CB 80 1.955 1
52 1 5 1 "RMS(OBS, PRED)" H 78 0.871 1
53 1 5 1 "RMS(OBS, PRED)" HA 90 0.379 1
54 1 5 1 "RMS(OBS, PRED)" N 78 3.800 1
55 1 5 2 "RMS(OBS, PRED)" C 30 1.044 1
56 1 5 2 "RMS(OBS, PRED)" CA 30 1.118 1
57 1 5 2 "RMS(OBS, PRED)" CB 30 1.377 1
58 1 5 2 "RMS(OBS, PRED)" H 28 0.463 1
59 1 5 2 "RMS(OBS, PRED)" HA 30 0.233 1
60 1 5 2 "RMS(OBS, PRED)" N 28 2.257 1
61 1 6 1 "RMS(OBS, PRED)" C 85 1.417 1
62 1 6 1 "RMS(OBS, PRED)" CA 85 1.598 1
63 1 6 1 "RMS(OBS, PRED)" CB 80 1.735 1
64 1 6 1 "RMS(OBS, PRED)" H 78 0.859 1
65 1 6 1 "RMS(OBS, PRED)" HA 90 0.348 1
66 1 6 1 "RMS(OBS, PRED)" N 78 3.677 1
67 1 6 2 "RMS(OBS, PRED)" C 30 0.962 1
68 1 6 2 "RMS(OBS, PRED)" CA 30 0.971 1
69 1 6 2 "RMS(OBS, PRED)" CB 30 1.052 1
70 1 6 2 "RMS(OBS, PRED)" H 28 0.375 1
71 1 6 2 "RMS(OBS, PRED)" HA 30 0.252 1
72 1 6 2 "RMS(OBS, PRED)" N 28 3.180 1
73 1 7 1 "RMS(OBS, PRED)" C 85 1.410 1
74 1 7 1 "RMS(OBS, PRED)" CA 85 1.315 1
75 1 7 1 "RMS(OBS, PRED)" CB 80 1.927 1
76 1 7 1 "RMS(OBS, PRED)" H 78 0.866 1
77 1 7 1 "RMS(OBS, PRED)" HA 90 0.347 1
78 1 7 1 "RMS(OBS, PRED)" N 78 4.013 1
79 1 7 2 "RMS(OBS, PRED)" C 30 1.067 1
80 1 7 2 "RMS(OBS, PRED)" CA 30 1.033 1
81 1 7 2 "RMS(OBS, PRED)" CB 30 1.425 1
82 1 7 2 "RMS(OBS, PRED)" H 28 0.338 1
83 1 7 2 "RMS(OBS, PRED)" HA 30 0.248 1
84 1 7 2 "RMS(OBS, PRED)" N 28 2.035 1
85 1 8 1 "RMS(OBS, PRED)" C 85 1.414 1
86 1 8 1 "RMS(OBS, PRED)" CA 85 1.467 1
87 1 8 1 "RMS(OBS, PRED)" CB 80 1.710 1
88 1 8 1 "RMS(OBS, PRED)" H 78 0.884 1
89 1 8 1 "RMS(OBS, PRED)" HA 90 0.348 1
90 1 8 1 "RMS(OBS, PRED)" N 78 3.693 1
91 1 8 2 "RMS(OBS, PRED)" C 30 1.064 1
92 1 8 2 "RMS(OBS, PRED)" CA 30 1.053 1
93 1 8 2 "RMS(OBS, PRED)" CB 30 1.124 1
94 1 8 2 "RMS(OBS, PRED)" H 28 0.459 1
95 1 8 2 "RMS(OBS, PRED)" HA 30 0.249 1
96 1 8 2 "RMS(OBS, PRED)" N 28 2.246 1
97 1 9 1 "RMS(OBS, PRED)" C 85 1.341 1
98 1 9 1 "RMS(OBS, PRED)" CA 85 1.350 1
99 1 9 1 "RMS(OBS, PRED)" CB 80 1.885 1
100 1 9 1 "RMS(OBS, PRED)" H 78 0.836 1
101 1 9 1 "RMS(OBS, PRED)" HA 90 0.351 1
102 1 9 1 "RMS(OBS, PRED)" N 78 3.735 1
103 1 9 2 "RMS(OBS, PRED)" C 30 1.170 1
104 1 9 2 "RMS(OBS, PRED)" CA 30 0.932 1
105 1 9 2 "RMS(OBS, PRED)" CB 30 1.167 1
106 1 9 2 "RMS(OBS, PRED)" H 28 0.412 1
107 1 9 2 "RMS(OBS, PRED)" HA 30 0.271 1
108 1 9 2 "RMS(OBS, PRED)" N 28 1.894 1
109 1 10 1 "RMS(OBS, PRED)" C 85 1.358 1
110 1 10 1 "RMS(OBS, PRED)" CA 85 1.313 1
111 1 10 1 "RMS(OBS, PRED)" CB 80 1.860 1
112 1 10 1 "RMS(OBS, PRED)" H 78 0.828 1
113 1 10 1 "RMS(OBS, PRED)" HA 90 0.362 1
114 1 10 1 "RMS(OBS, PRED)" N 78 3.769 1
115 1 10 2 "RMS(OBS, PRED)" C 30 0.937 1
116 1 10 2 "RMS(OBS, PRED)" CA 30 0.971 1
117 1 10 2 "RMS(OBS, PRED)" CB 30 0.725 1
118 1 10 2 "RMS(OBS, PRED)" H 28 0.402 1
119 1 10 2 "RMS(OBS, PRED)" HA 30 0.271 1
120 1 10 2 "RMS(OBS, PRED)" N 28 1.868 1
121 1 11 1 "RMS(OBS, PRED)" C 85 1.336 1
122 1 11 1 "RMS(OBS, PRED)" CA 85 1.404 1
123 1 11 1 "RMS(OBS, PRED)" CB 80 1.934 1
124 1 11 1 "RMS(OBS, PRED)" H 78 0.859 1
125 1 11 1 "RMS(OBS, PRED)" HA 90 0.323 1
126 1 11 1 "RMS(OBS, PRED)" N 78 4.112 1
127 1 11 2 "RMS(OBS, PRED)" C 30 0.976 1
128 1 11 2 "RMS(OBS, PRED)" CA 30 1.075 1
129 1 11 2 "RMS(OBS, PRED)" CB 30 1.002 1
130 1 11 2 "RMS(OBS, PRED)" H 28 0.419 1
131 1 11 2 "RMS(OBS, PRED)" HA 30 0.247 1
132 1 11 2 "RMS(OBS, PRED)" N 28 2.053 1
133 1 12 1 "RMS(OBS, PRED)" C 85 1.321 1
134 1 12 1 "RMS(OBS, PRED)" CA 85 1.326 1
135 1 12 1 "RMS(OBS, PRED)" CB 80 1.888 1
136 1 12 1 "RMS(OBS, PRED)" H 78 0.911 1
137 1 12 1 "RMS(OBS, PRED)" HA 90 0.348 1
138 1 12 1 "RMS(OBS, PRED)" N 78 4.088 1
139 1 12 2 "RMS(OBS, PRED)" C 30 0.925 1
140 1 12 2 "RMS(OBS, PRED)" CA 30 1.097 1
141 1 12 2 "RMS(OBS, PRED)" CB 30 1.075 1
142 1 12 2 "RMS(OBS, PRED)" H 28 0.454 1
143 1 12 2 "RMS(OBS, PRED)" HA 30 0.239 1
144 1 12 2 "RMS(OBS, PRED)" N 28 1.938 1
145 1 13 1 "RMS(OBS, PRED)" C 85 1.356 1
146 1 13 1 "RMS(OBS, PRED)" CA 85 1.336 1
147 1 13 1 "RMS(OBS, PRED)" CB 80 1.738 1
148 1 13 1 "RMS(OBS, PRED)" H 78 0.818 1
149 1 13 1 "RMS(OBS, PRED)" HA 90 0.362 1
150 1 13 1 "RMS(OBS, PRED)" N 78 3.881 1
151 1 13 2 "RMS(OBS, PRED)" C 30 0.892 1
152 1 13 2 "RMS(OBS, PRED)" CA 30 1.016 1
153 1 13 2 "RMS(OBS, PRED)" CB 30 0.613 1
154 1 13 2 "RMS(OBS, PRED)" H 28 0.377 1
155 1 13 2 "RMS(OBS, PRED)" HA 30 0.242 1
156 1 13 2 "RMS(OBS, PRED)" N 28 1.895 1
157 1 14 1 "RMS(OBS, PRED)" C 85 1.361 1
158 1 14 1 "RMS(OBS, PRED)" CA 85 1.370 1
159 1 14 1 "RMS(OBS, PRED)" CB 80 1.882 1
160 1 14 1 "RMS(OBS, PRED)" H 78 0.852 1
161 1 14 1 "RMS(OBS, PRED)" HA 90 0.336 1
162 1 14 1 "RMS(OBS, PRED)" N 78 3.863 1
163 1 14 2 "RMS(OBS, PRED)" C 30 0.799 1
164 1 14 2 "RMS(OBS, PRED)" CA 30 0.887 1
165 1 14 2 "RMS(OBS, PRED)" CB 30 1.174 1
166 1 14 2 "RMS(OBS, PRED)" H 28 0.465 1
167 1 14 2 "RMS(OBS, PRED)" HA 30 0.225 1
168 1 14 2 "RMS(OBS, PRED)" N 28 1.869 1
169 1 15 1 "RMS(OBS, PRED)" C 85 1.353 1
170 1 15 1 "RMS(OBS, PRED)" CA 85 1.497 1
171 1 15 1 "RMS(OBS, PRED)" CB 80 1.725 1
172 1 15 1 "RMS(OBS, PRED)" H 78 0.848 1
173 1 15 1 "RMS(OBS, PRED)" HA 90 0.365 1
174 1 15 1 "RMS(OBS, PRED)" N 78 3.770 1
175 1 15 2 "RMS(OBS, PRED)" C 30 1.025 1
176 1 15 2 "RMS(OBS, PRED)" CA 30 1.079 1
177 1 15 2 "RMS(OBS, PRED)" CB 30 1.162 1
178 1 15 2 "RMS(OBS, PRED)" H 28 0.405 1
179 1 15 2 "RMS(OBS, PRED)" HA 30 0.225 1
180 1 15 2 "RMS(OBS, PRED)" N 28 2.916 1
181 1 16 1 "RMS(OBS, PRED)" C 85 1.335 1
182 1 16 1 "RMS(OBS, PRED)" CA 85 1.378 1
183 1 16 1 "RMS(OBS, PRED)" CB 80 1.822 1
184 1 16 1 "RMS(OBS, PRED)" H 78 0.856 1
185 1 16 1 "RMS(OBS, PRED)" HA 90 0.350 1
186 1 16 1 "RMS(OBS, PRED)" N 78 3.582 1
187 1 16 2 "RMS(OBS, PRED)" C 30 1.105 1
188 1 16 2 "RMS(OBS, PRED)" CA 30 0.993 1
189 1 16 2 "RMS(OBS, PRED)" CB 30 1.121 1
190 1 16 2 "RMS(OBS, PRED)" H 28 0.397 1
191 1 16 2 "RMS(OBS, PRED)" HA 30 0.324 1
192 1 16 2 "RMS(OBS, PRED)" N 28 2.064 1
193 1 17 1 "RMS(OBS, PRED)" C 85 1.364 1
194 1 17 1 "RMS(OBS, PRED)" CA 85 1.391 1
195 1 17 1 "RMS(OBS, PRED)" CB 80 1.865 1
196 1 17 1 "RMS(OBS, PRED)" H 78 0.823 1
197 1 17 1 "RMS(OBS, PRED)" HA 90 0.336 1
198 1 17 1 "RMS(OBS, PRED)" N 78 3.639 1
199 1 17 2 "RMS(OBS, PRED)" C 30 0.957 1
200 1 17 2 "RMS(OBS, PRED)" CA 30 1.090 1
201 1 17 2 "RMS(OBS, PRED)" CB 30 1.259 1
202 1 17 2 "RMS(OBS, PRED)" H 28 0.396 1
203 1 17 2 "RMS(OBS, PRED)" HA 30 0.316 1
204 1 17 2 "RMS(OBS, PRED)" N 28 3.199 1
205 1 18 1 "RMS(OBS, PRED)" C 85 1.356 1
206 1 18 1 "RMS(OBS, PRED)" CA 85 1.507 1
207 1 18 1 "RMS(OBS, PRED)" CB 80 1.756 1
208 1 18 1 "RMS(OBS, PRED)" H 78 0.916 1
209 1 18 1 "RMS(OBS, PRED)" HA 90 0.358 1
210 1 18 1 "RMS(OBS, PRED)" N 78 4.032 1
211 1 18 2 "RMS(OBS, PRED)" C 30 0.905 1
212 1 18 2 "RMS(OBS, PRED)" CA 30 1.014 1
213 1 18 2 "RMS(OBS, PRED)" CB 30 0.959 1
214 1 18 2 "RMS(OBS, PRED)" H 28 0.422 1
215 1 18 2 "RMS(OBS, PRED)" HA 30 0.265 1
216 1 18 2 "RMS(OBS, PRED)" N 28 2.068 1
217 1 19 1 "RMS(OBS, PRED)" C 85 1.369 1
218 1 19 1 "RMS(OBS, PRED)" CA 85 1.427 1
219 1 19 1 "RMS(OBS, PRED)" CB 80 1.811 1
220 1 19 1 "RMS(OBS, PRED)" H 78 0.880 1
221 1 19 1 "RMS(OBS, PRED)" HA 90 0.398 1
222 1 19 1 "RMS(OBS, PRED)" N 78 3.913 1
223 1 19 2 "RMS(OBS, PRED)" C 30 0.928 1
224 1 19 2 "RMS(OBS, PRED)" CA 30 0.959 1
225 1 19 2 "RMS(OBS, PRED)" CB 30 0.919 1
226 1 19 2 "RMS(OBS, PRED)" H 28 0.495 1
227 1 19 2 "RMS(OBS, PRED)" HA 30 0.277 1
228 1 19 2 "RMS(OBS, PRED)" N 28 1.724 1
229 1 20 1 "RMS(OBS, PRED)" C 85 1.349 1
230 1 20 1 "RMS(OBS, PRED)" CA 85 1.411 1
231 1 20 1 "RMS(OBS, PRED)" CB 80 1.816 1
232 1 20 1 "RMS(OBS, PRED)" H 78 0.944 1
233 1 20 1 "RMS(OBS, PRED)" HA 90 0.333 1
234 1 20 1 "RMS(OBS, PRED)" N 78 3.778 1
235 1 20 2 "RMS(OBS, PRED)" C 30 0.999 1
236 1 20 2 "RMS(OBS, PRED)" CA 30 1.169 1
237 1 20 2 "RMS(OBS, PRED)" CB 30 1.070 1
238 1 20 2 "RMS(OBS, PRED)" H 28 0.399 1
239 1 20 2 "RMS(OBS, PRED)" HA 30 0.258 1
240 1 20 2 "RMS(OBS, PRED)" N 28 2.188 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 VAL H H 2 7.944 8.190 -0.246 2
1 15 . 1 1 A 2 2 VAL N N 2 123.960 119.758 4.202 2
1 64 . 1 1 A 7 7 GLU H H 7 8.421 8.544 -0.123 2
1 74 . 1 1 A 7 7 GLU N N 7 122.775 122.191 0.584 2
1 109 . 1 1 A 11 11 GLY HA2 H 11 4.104 3.778 0.326 2
1 110 . 1 1 A 11 11 GLY HA3 H 11 3.843 3.823 0.020 2
1 123 . 1 1 A 13 13 GLY HA2 H 13 4.052 3.953 0.099 2
1 124 . 1 1 A 13 13 GLY HA3 H 13 3.957 3.998 -0.041 2
1 176 . 1 1 A 18 18 GLY HA2 H 18 4.092 3.486 0.606 2
1 177 . 1 1 A 18 18 GLY HA3 H 18 3.786 3.810 -0.024 2
1 274 . 1 1 A 26 26 GLY HA2 H 26 4.305 3.950 0.355 2
1 275 . 1 1 A 26 26 GLY HA3 H 26 3.503 3.957 -0.454 2
1 339 . 1 1 A 32 32 TRP H H 32 7.703 8.731 -1.028 2
1 340 . 1 1 A 32 32 TRP HA H 32 4.244 4.525 -0.281 2
1 349 . 1 1 A 32 32 TRP C C 32 177.566 178.155 -0.589 2
1 350 . 1 1 A 32 32 TRP CA C 32 59.531 59.894 -0.363 2
1 351 . 1 1 A 32 32 TRP CB C 32 29.953 29.283 0.670 2
1 357 . 1 1 A 32 32 TRP N N 32 123.505 124.421 -0.916 2
1 359 . 1 1 A 33 33 ASP H H 33 8.797 8.230 0.567 2
1 360 . 1 1 A 33 33 ASP HA H 33 4.634 4.707 -0.073 2
1 363 . 1 1 A 33 33 ASP C C 33 175.831 175.875 -0.044 2
1 364 . 1 1 A 33 33 ASP CA C 33 54.398 55.321 -0.923 2
1 365 . 1 1 A 33 33 ASP CB C 33 40.707 40.794 -0.087 2
1 366 . 1 1 A 33 33 ASP N N 33 113.424 118.845 -5.421 2
1 367 . 1 1 A 34 34 SER H H 34 8.039 7.947 0.092 2
1 368 . 1 1 A 34 34 SER HA H 34 4.737 4.701 0.036 2
1 372 . 1 1 A 34 34 SER C C 34 174.096 174.481 -0.385 2
1 373 . 1 1 A 34 34 SER CA C 34 56.454 56.692 -0.238 2
1 374 . 1 1 A 34 34 SER CB C 34 65.137 64.640 0.497 2
1 375 . 1 1 A 34 34 SER N N 34 114.429 115.586 -1.157 2
1 376 . 1 1 A 35 35 GLN H H 35 8.387 8.786 -0.399 2
1 377 . 1 1 A 35 35 GLN HA H 35 4.426 4.431 -0.005 2
1 384 . 1 1 A 35 35 GLN C C 35 173.518 174.849 -1.331 2
1 385 . 1 1 A 35 35 GLN CA C 35 54.020 55.695 -1.675 2
1 386 . 1 1 A 35 35 GLN CB C 35 28.804 29.183 -0.379 2
1 388 . 1 1 A 35 35 GLN N N 35 123.700 125.903 -2.203 2
1 390 . 1 1 A 36 36 SER H H 36 7.746 7.315 0.431 2
1 391 . 1 1 A 36 36 SER HA H 36 4.466 4.845 -0.379 2
1 395 . 1 1 A 36 36 SER C C 36 172.824 173.733 -0.909 2
1 396 . 1 1 A 36 36 SER CA C 36 54.749 55.148 -0.399 2
1 397 . 1 1 A 36 36 SER CB C 36 65.162 65.100 0.062 2
1 398 . 1 1 A 36 36 SER N N 36 112.974 114.831 -1.857 2
1 399 . 1 1 A 37 37 PRO HA H 37 4.382 4.482 -0.100 2
1 406 . 1 1 A 37 37 PRO C C 37 176.351 176.122 0.229 2
1 407 . 1 1 A 37 37 PRO CA C 37 64.110 63.996 0.114 2
1 408 . 1 1 A 37 37 PRO CB C 37 33.670 31.940 1.730 2
1 411 . 1 1 A 38 38 HIS H H 38 8.764 7.453 1.311 2
1 412 . 1 1 A 38 38 HIS HA H 38 4.897 4.732 0.165 2
1 417 . 1 1 A 38 38 HIS C C 38 178.144 174.813 3.331 2
1 418 . 1 1 A 38 38 HIS CA C 38 55.580 55.608 -0.029 2
1 419 . 1 1 A 38 38 HIS CB C 38 30.421 30.726 -0.305 2
1 422 . 1 1 A 38 38 HIS N N 38 122.516 117.361 5.155 2
1 423 . 1 1 A 39 39 ALA H H 39 8.673 8.549 0.124 2
1 424 . 1 1 A 39 39 ALA HA H 39 4.493 4.548 -0.055 2
1 428 . 1 1 A 39 39 ALA C C 39 178.375 177.081 1.294 2
1 429 . 1 1 A 39 39 ALA CA C 39 51.440 52.020 -0.580 2
1 430 . 1 1 A 39 39 ALA CB C 39 18.980 19.663 -0.683 2
1 431 . 1 1 A 39 39 ALA N N 39 128.546 126.916 1.630 2
1 432 . 1 1 A 40 40 HIS H H 40 9.291 8.972 0.319 2
1 433 . 1 1 A 40 40 HIS HA H 40 4.734 5.386 -0.652 2
1 439 . 1 1 A 40 40 HIS C C 40 175.484 174.900 0.584 2
1 440 . 1 1 A 40 40 HIS CA C 40 56.141 53.829 2.312 2
1 441 . 1 1 A 40 40 HIS CB C 40 35.545 32.032 3.513 2
1 444 . 1 1 A 40 40 HIS N N 40 120.682 116.608 4.074 2
1 445 . 1 1 A 41 41 GLY H H 41 9.080 8.904 0.176 2
1 446 . 1 1 A 41 41 GLY HA2 H 41 4.602 3.882 0.720 2
1 447 . 1 1 A 41 41 GLY HA3 H 41 3.671 3.920 -0.249 2
1 448 . 1 1 A 41 41 GLY C C 41 176.409 173.936 2.473 2
1 449 . 1 1 A 41 41 GLY CA C 41 44.724 45.581 -0.857 2
1 450 . 1 1 A 41 41 GLY N N 41 106.159 108.237 -2.078 2
1 451 . 1 1 A 42 42 TYR H H 42 11.980 8.180 3.800 2
1 452 . 1 1 A 42 42 TYR HA H 42 4.616 5.121 -0.505 2
1 459 . 1 1 A 42 42 TYR C C 42 174.385 175.284 -0.899 2
1 460 . 1 1 A 42 42 TYR CA C 42 57.579 56.976 0.603 2
1 461 . 1 1 A 42 42 TYR CB C 42 36.198 36.716 -0.518 2
1 466 . 1 1 A 42 42 TYR N N 42 133.554 119.766 13.788 2
1 467 . 1 1 A 43 43 ILE H H 43 7.120 8.345 -1.225 2
1 468 . 1 1 A 43 43 ILE HA H 43 4.630 4.559 0.071 2
1 478 . 1 1 A 43 43 ILE C C 43 177.219 176.161 1.058 2
1 479 . 1 1 A 43 43 ILE CA C 43 58.201 58.658 -0.457 2
1 480 . 1 1 A 43 43 ILE CB C 43 38.761 37.963 0.798 2
1 484 . 1 1 A 43 43 ILE N N 43 118.881 125.352 -6.471 2
1 485 . 1 1 A 44 44 PRO HA H 44 4.193 4.467 -0.274 2
1 492 . 1 1 A 44 44 PRO C C 44 178.780 177.735 1.045 2
1 493 . 1 1 A 44 44 PRO CA C 44 67.061 64.443 2.618 2
1 494 . 1 1 A 44 44 PRO CB C 44 32.267 31.959 0.308 2
1 497 . 1 1 A 45 45 SER H H 45 7.984 8.283 -0.298 2
1 498 . 1 1 A 45 45 SER HA H 45 4.087 4.268 -0.181 2
1 502 . 1 1 A 45 45 SER C C 45 176.004 175.850 0.154 2
1 503 . 1 1 A 45 45 SER CA C 45 60.161 60.820 -0.659 2
1 504 . 1 1 A 45 45 SER CB C 45 62.260 63.141 -0.881 2
1 505 . 1 1 A 45 45 SER N N 45 107.865 113.042 -5.177 2
1 506 . 1 1 A 46 46 LYS H H 46 7.769 7.676 0.093 2
1 507 . 1 1 A 46 46 LYS HA H 46 3.965 4.173 -0.208 2
1 516 . 1 1 A 46 46 LYS C C 46 175.831 176.381 -0.550 2
1 517 . 1 1 A 46 46 LYS CA C 46 57.349 57.190 0.159 2
1 518 . 1 1 A 46 46 LYS CB C 46 33.283 32.824 0.459 2
1 522 . 1 1 A 46 46 LYS N N 46 121.944 117.394 4.550 2
1 523 . 1 1 A 47 47 PHE H H 47 7.018 7.517 -0.499 2
1 524 . 1 1 A 47 47 PHE HA H 47 5.244 5.102 0.142 2
1 532 . 1 1 A 47 47 PHE C C 47 174.790 174.562 0.228 2
1 533 . 1 1 A 47 47 PHE CA C 47 54.142 54.738 -0.596 2
1 534 . 1 1 A 47 47 PHE CB C 47 39.434 38.756 0.678 2
1 539 . 1 1 A 47 47 PHE N N 47 115.480 118.868 -3.388 2
1 540 . 1 1 A 48 48 PRO HA H 48 4.472 4.506 -0.034 2
1 547 . 1 1 A 48 48 PRO C C 48 177.681 177.992 -0.311 2
1 548 . 1 1 A 48 48 PRO CA C 48 65.513 64.848 0.665 2
1 549 . 1 1 A 48 48 PRO CB C 48 31.712 31.802 -0.090 2
1 552 . 1 1 A 49 49 ASN H H 49 8.559 8.866 -0.307 2
1 553 . 1 1 A 49 49 ASN HA H 49 4.818 4.529 0.289 2
1 558 . 1 1 A 49 49 ASN C C 49 175.715 176.329 -0.614 2
1 559 . 1 1 A 49 49 ASN CA C 49 53.372 54.908 -1.536 2
1 560 . 1 1 A 49 49 ASN CB C 49 37.351 37.414 -0.063 2
1 561 . 1 1 A 49 49 ASN N N 49 114.836 115.697 -0.861 2
1 563 . 1 1 A 50 50 LYS H H 50 7.627 7.527 0.100 2
1 564 . 1 1 A 50 50 LYS HA H 50 4.480 4.335 0.145 2
1 573 . 1 1 A 50 50 LYS C C 50 175.079 175.629 -0.550 2
1 574 . 1 1 A 50 50 LYS CA C 50 53.336 55.755 -2.419 2
1 575 . 1 1 A 50 50 LYS CB C 50 31.284 32.304 -1.020 2
1 579 . 1 1 A 50 50 LYS N N 50 116.224 117.464 -1.240 2
1 580 . 1 1 A 51 51 ASN H H 51 7.945 8.039 -0.094 2
1 581 . 1 1 A 51 51 ASN HA H 51 4.304 4.344 -0.040 2
1 586 . 1 1 A 51 51 ASN C C 51 175.195 174.680 0.515 2
1 587 . 1 1 A 51 51 ASN CA C 51 54.089 54.071 0.018 2
1 588 . 1 1 A 51 51 ASN CB C 51 36.504 37.019 -0.514 2
1 589 . 1 1 A 51 51 ASN N N 51 115.331 116.540 -1.209 2
1 591 . 1 1 A 52 52 LEU H H 52 8.803 7.887 0.916 2
1 592 . 1 1 A 52 52 LEU HA H 52 3.412 4.004 -0.592 2
1 602 . 1 1 A 52 52 LEU C C 52 174.674 175.381 -0.707 2
1 603 . 1 1 A 52 52 LEU CA C 52 53.983 54.254 -0.271 2
1 604 . 1 1 A 52 52 LEU CB C 52 42.471 40.551 1.920 2
1 608 . 1 1 A 52 52 LEU N N 52 121.765 120.406 1.359 2
1 609 . 1 1 A 53 53 LYS H H 53 7.099 8.277 -1.178 2
1 610 . 1 1 A 53 53 LYS HA H 53 4.324 4.788 -0.464 2
1 619 . 1 1 A 53 53 LYS C C 53 173.460 176.605 -3.145 2
1 620 . 1 1 A 53 53 LYS CA C 53 54.843 54.537 0.306 2
1 621 . 1 1 A 53 53 LYS CB C 53 36.395 35.303 1.092 2
1 625 . 1 1 A 53 53 LYS N N 53 124.403 124.785 -0.382 2
1 626 . 1 1 A 54 54 LYS H H 54 8.805 8.940 -0.134 2
1 627 . 1 1 A 54 54 LYS HA H 54 3.692 3.857 -0.165 2
1 636 . 1 1 A 54 54 LYS C C 54 173.344 176.073 -2.729 2
1 637 . 1 1 A 54 54 LYS CA C 54 56.366 57.931 -1.565 2
1 638 . 1 1 A 54 54 LYS CB C 54 29.830 30.518 -0.688 2
1 642 . 1 1 A 54 54 LYS N N 54 118.125 117.646 0.479 2
1 643 . 1 1 A 55 55 ASN H H 55 7.567 8.346 -0.779 2
1 644 . 1 1 A 55 55 ASN HA H 55 4.643 4.687 -0.044 2
1 649 . 1 1 A 55 55 ASN C C 55 172.188 175.146 -2.958 2
1 650 . 1 1 A 55 55 ASN CA C 55 51.091 51.694 -0.603 2
1 651 . 1 1 A 55 55 ASN CB C 55 37.234 37.945 -0.711 2
1 652 . 1 1 A 55 55 ASN N N 55 123.893 121.773 2.120 2
1 654 . 1 1 A 56 56 TYR H H 56 7.584 7.610 -0.026 2
1 655 . 1 1 A 56 56 TYR HA H 56 4.892 5.121 -0.229 2
1 662 . 1 1 A 56 56 TYR C C 56 177.276 176.114 1.162 2
1 663 . 1 1 A 56 56 TYR CA C 56 54.447 58.268 -3.821 2
1 664 . 1 1 A 56 56 TYR CB C 56 38.633 39.525 -0.892 2
1 669 . 1 1 A 56 56 TYR N N 56 115.237 120.118 -4.881 2
1 670 . 1 1 A 57 57 CYS H H 57 9.149 9.008 0.141 2
1 671 . 1 1 A 57 57 CYS HA H 57 4.398 4.901 -0.503 2
1 674 . 1 1 A 57 57 CYS C C 57 175.600 174.465 1.135 2
1 675 . 1 1 A 57 57 CYS CA C 57 59.824 56.641 3.183 2
1 676 . 1 1 A 57 57 CYS CB C 57 48.356 42.504 5.852 2
1 677 . 1 1 A 57 57 CYS N N 57 119.273 122.132 -2.859 2
1 678 . 1 1 A 58 58 ARG H H 58 9.138 8.575 0.562 2
1 679 . 1 1 A 58 58 ARG HA H 58 4.918 5.146 -0.228 2
1 687 . 1 1 A 58 58 ARG C C 58 173.576 174.413 -0.837 2
1 688 . 1 1 A 58 58 ARG CA C 58 53.187 54.306 -1.119 2
1 689 . 1 1 A 58 58 ARG CB C 58 29.412 34.423 -5.011 2
1 692 . 1 1 A 58 58 ARG N N 58 122.881 125.166 -2.285 2
1 694 . 1 1 A 59 59 ASN H H 59 8.868 8.596 0.272 2
1 695 . 1 1 A 59 59 ASN HA H 59 5.513 5.052 0.461 2
1 700 . 1 1 A 59 59 ASN C C 59 172.824 174.234 -1.410 2
1 701 . 1 1 A 59 59 ASN CA C 59 53.176 50.110 3.066 2
1 702 . 1 1 A 59 59 ASN CB C 59 37.237 39.267 -2.030 2
1 703 . 1 1 A 59 59 ASN N N 59 113.603 119.336 -5.733 2
1 705 . 1 1 A 60 60 PRO HA H 60 4.712 4.302 0.410 2
1 712 . 1 1 A 60 60 PRO C C 60 175.715 177.739 -2.024 2
1 713 . 1 1 A 60 60 PRO CA C 60 63.643 64.330 -0.687 2
1 714 . 1 1 A 60 60 PRO CB C 60 32.507 31.649 0.858 2
1 717 . 1 1 A 61 61 ASP H H 61 8.883 7.940 0.943 2
1 718 . 1 1 A 61 61 ASP HA H 61 4.495 4.449 0.046 2
1 721 . 1 1 A 61 61 ASP C C 61 174.848 175.503 -0.655 2
1 722 . 1 1 A 61 61 ASP CA C 61 51.953 54.272 -2.319 2
1 723 . 1 1 A 61 61 ASP CB C 61 42.092 40.451 1.641 2
1 724 . 1 1 A 61 61 ASP N N 61 118.660 116.429 2.231 2
1 725 . 1 1 A 62 62 ARG H H 62 8.395 7.710 0.685 2
1 726 . 1 1 A 62 62 ARG HA H 62 3.789 4.064 -0.275 2
1 734 . 1 1 A 62 62 ARG C C 62 176.236 174.601 1.635 2
1 735 . 1 1 A 62 62 ARG CA C 62 57.318 57.008 0.310 2
1 736 . 1 1 A 62 62 ARG CB C 62 26.990 27.425 -0.436 2
1 739 . 1 1 A 62 62 ARG N N 62 116.013 115.328 0.685 2
1 741 . 1 1 A 63 63 ASP H H 63 9.735 8.028 1.707 2
1 742 . 1 1 A 63 63 ASP HA H 63 4.769 4.683 0.086 2
1 745 . 1 1 A 63 63 ASP C C 63 177.334 176.621 0.713 2
1 746 . 1 1 A 63 63 ASP CA C 63 51.973 52.959 -0.986 2
1 747 . 1 1 A 63 63 ASP CB C 63 42.698 42.718 -0.020 2
1 748 . 1 1 A 63 63 ASP N N 63 121.799 118.077 3.722 2
1 749 . 1 1 A 64 64 LEU H H 64 10.919 8.668 2.251 2
1 750 . 1 1 A 64 64 LEU HA H 64 3.995 4.235 -0.240 2
1 760 . 1 1 A 64 64 LEU C C 64 176.467 176.857 -0.390 2
1 761 . 1 1 A 64 64 LEU CA C 64 57.772 56.504 1.268 2
1 762 . 1 1 A 64 64 LEU CB C 64 43.630 42.907 0.723 2
1 766 . 1 1 A 64 64 LEU N N 64 121.789 122.325 -0.536 2
1 767 . 1 1 A 65 65 ARG H H 65 7.633 7.832 -0.199 2
1 768 . 1 1 A 65 65 ARG HA H 65 5.006 4.883 0.123 2
1 776 . 1 1 A 65 65 ARG C C 65 172.130 174.010 -1.880 2
1 777 . 1 1 A 65 65 ARG CA C 65 53.368 53.926 -0.558 2
1 778 . 1 1 A 65 65 ARG CB C 65 28.429 33.074 -4.645 2
1 781 . 1 1 A 65 65 ARG N N 65 108.790 116.107 -7.317 2
1 783 . 1 1 A 66 66 PRO HA H 66 4.281 4.712 -0.431 2
1 790 . 1 1 A 66 66 PRO C C 66 172.940 176.207 -3.267 2
1 791 . 1 1 A 66 66 PRO CA C 66 63.677 63.193 0.484 2
1 792 . 1 1 A 66 66 PRO CB C 66 32.592 32.867 -0.275 2
1 795 . 1 1 A 67 67 TRP H H 67 8.716 8.546 0.170 2
1 796 . 1 1 A 67 67 TRP HA H 67 5.406 5.298 0.108 2
1 805 . 1 1 A 67 67 TRP C C 67 172.919 173.781 -0.862 2
1 806 . 1 1 A 67 67 TRP CA C 67 56.035 55.428 0.607 2
1 807 . 1 1 A 67 67 TRP CB C 67 34.026 31.714 2.312 2
1 813 . 1 1 A 67 67 TRP N N 67 121.250 118.172 3.078 2
1 815 . 1 1 A 68 68 CYS H H 68 8.384 9.095 -0.711 2
1 816 . 1 1 A 68 68 CYS HA H 68 4.265 4.733 -0.468 2
1 819 . 1 1 A 68 68 CYS C C 68 175.079 172.872 2.207 2
1 820 . 1 1 A 68 68 CYS CA C 68 55.876 55.358 0.518 2
1 821 . 1 1 A 68 68 CYS CB C 68 42.232 45.963 -3.731 2
1 822 . 1 1 A 68 68 CYS N N 68 109.624 117.500 -7.876 2
1 823 . 1 1 A 69 69 PHE H H 69 8.031 8.363 -0.332 2
1 824 . 1 1 A 69 69 PHE HA H 69 5.420 4.953 0.467 2
1 832 . 1 1 A 69 69 PHE C C 69 176.814 175.657 1.157 2
1 833 . 1 1 A 69 69 PHE CA C 69 59.299 57.854 1.445 2
1 834 . 1 1 A 69 69 PHE CB C 69 38.411 39.746 -1.335 2
1 840 . 1 1 A 69 69 PHE N N 69 120.433 121.304 -0.871 2
1 841 . 1 1 A 70 70 THR H H 70 8.002 8.635 -0.633 2
1 842 . 1 1 A 70 70 THR HA H 70 5.408 4.776 0.632 2
1 848 . 1 1 A 70 70 THR C C 70 173.518 175.308 -1.790 2
1 849 . 1 1 A 70 70 THR CA C 70 61.208 61.123 0.085 2
1 850 . 1 1 A 70 70 THR CB C 70 70.441 70.401 0.040 2
1 852 . 1 1 A 70 70 THR N N 70 112.351 116.259 -3.908 2
1 853 . 1 1 A 71 71 THR H H 71 8.126 8.576 -0.450 2
1 854 . 1 1 A 71 71 THR HA H 71 4.037 4.436 -0.399 2
1 860 . 1 1 A 71 71 THR C C 71 174.903 174.019 0.884 2
1 861 . 1 1 A 71 71 THR CA C 71 62.413 63.179 -0.766 2
1 862 . 1 1 A 71 71 THR CB C 71 69.167 69.224 -0.057 2
1 864 . 1 1 A 71 71 THR N N 71 104.863 116.829 -11.966 2
1 865 . 1 1 A 72 72 ASP H H 72 9.024 7.816 1.208 2
1 866 . 1 1 A 72 72 ASP HA H 72 4.936 4.866 0.070 2
1 869 . 1 1 A 72 72 ASP C C 72 176.929 175.984 0.945 2
1 870 . 1 1 A 72 72 ASP CA C 72 51.333 51.994 -0.661 2
1 871 . 1 1 A 72 72 ASP CB C 72 43.416 42.370 1.046 2
1 872 . 1 1 A 72 72 ASP N N 72 126.242 123.337 2.905 2
1 873 . 1 1 A 73 73 PRO HA H 73 3.962 4.344 -0.382 2
1 880 . 1 1 A 73 73 PRO C C 73 177.045 178.083 -1.038 2
1 881 . 1 1 A 73 73 PRO CA C 73 64.632 64.895 -0.263 2
1 882 . 1 1 A 73 73 PRO CB C 73 32.460 31.888 0.572 2
1 885 . 1 1 A 74 74 ASN H H 74 8.943 8.228 0.715 2
1 886 . 1 1 A 74 74 ASN HA H 74 4.854 4.624 0.230 2
1 891 . 1 1 A 74 74 ASN C C 74 174.443 175.602 -1.159 2
1 892 . 1 1 A 74 74 ASN CA C 74 53.380 55.623 -2.243 2
1 893 . 1 1 A 74 74 ASN CB C 74 39.333 38.973 0.360 2
1 894 . 1 1 A 74 74 ASN N N 74 114.144 114.804 -0.660 2
1 896 . 1 1 A 75 75 LYS H H 75 7.795 7.578 0.217 2
1 897 . 1 1 A 75 75 LYS HA H 75 4.571 4.396 0.175 2
1 906 . 1 1 A 75 75 LYS C C 75 173.402 176.271 -2.869 2
1 907 . 1 1 A 75 75 LYS CA C 75 54.154 55.465 -1.311 2
1 908 . 1 1 A 75 75 LYS CB C 75 32.186 33.428 -1.242 2
1 912 . 1 1 A 75 75 LYS N N 75 122.835 118.774 4.061 2
1 913 . 1 1 A 76 76 ARG H H 76 9.132 8.811 0.321 2
1 914 . 1 1 A 76 76 ARG HA H 76 4.555 3.747 0.808 2
1 922 . 1 1 A 76 76 ARG C C 76 175.137 175.960 -0.823 2
1 923 . 1 1 A 76 76 ARG CA C 76 60.532 57.733 2.799 2
1 924 . 1 1 A 76 76 ARG CB C 76 29.307 31.382 -2.075 2
1 927 . 1 1 A 76 76 ARG N N 76 129.676 126.526 3.149 2
1 929 . 1 1 A 77 77 TRP H H 77 7.559 7.424 0.135 2
1 930 . 1 1 A 77 77 TRP HA H 77 5.357 5.170 0.187 2
1 939 . 1 1 A 77 77 TRP C C 77 172.940 174.073 -1.133 2
1 940 . 1 1 A 77 77 TRP CA C 77 55.044 55.468 -0.424 2
1 941 . 1 1 A 77 77 TRP CB C 77 31.951 31.948 0.003 2
1 947 . 1 1 A 77 77 TRP N N 77 109.174 114.272 -5.098 2
1 949 . 1 1 A 78 78 GLU H H 78 8.638 9.027 -0.389 2
1 950 . 1 1 A 78 78 GLU HA H 78 3.671 4.639 -0.968 2
1 955 . 1 1 A 78 78 GLU C C 78 174.501 175.397 -0.896 2
1 956 . 1 1 A 78 78 GLU CA C 78 55.659 54.874 0.785 2
1 957 . 1 1 A 78 78 GLU CB C 78 34.557 34.072 0.485 2
1 959 . 1 1 A 78 78 GLU N N 78 118.907 119.497 -0.590 2
1 960 . 1 1 A 79 79 TYR H H 79 7.636 8.900 -1.264 2
1 961 . 1 1 A 79 79 TYR HA H 79 4.995 4.976 0.019 2
1 968 . 1 1 A 79 79 TYR C C 79 175.889 175.854 0.035 2
1 969 . 1 1 A 79 79 TYR CA C 79 60.120 58.789 1.331 2
1 970 . 1 1 A 79 79 TYR CB C 79 39.789 39.104 0.685 2
1 975 . 1 1 A 79 79 TYR N N 79 119.277 120.584 -1.307 2
1 976 . 1 1 A 80 80 CYS H H 80 9.398 9.126 0.272 2
1 977 . 1 1 A 80 80 CYS HA H 80 4.720 5.422 -0.702 2
1 980 . 1 1 A 80 80 CYS C C 80 172.419 171.916 0.503 2
1 981 . 1 1 A 80 80 CYS CA C 80 54.618 54.588 0.030 2
1 982 . 1 1 A 80 80 CYS CB C 80 46.736 45.015 1.721 2
1 983 . 1 1 A 80 80 CYS N N 80 118.623 120.729 -2.106 2
1 984 . 1 1 A 81 81 ASP H H 81 9.729 8.986 0.743 2
1 985 . 1 1 A 81 81 ASP HA H 81 4.781 4.847 -0.066 2
1 988 . 1 1 A 81 81 ASP C C 81 173.576 174.698 -1.122 2
1 989 . 1 1 A 81 81 ASP CA C 81 52.855 53.120 -0.265 2
1 990 . 1 1 A 81 81 ASP CB C 81 40.733 40.939 -0.206 2
1 991 . 1 1 A 81 81 ASP N N 81 124.777 126.370 -1.593 2
1 992 . 1 1 A 82 82 ILE H H 82 7.820 8.195 -0.375 2
1 993 . 1 1 A 82 82 ILE HA H 82 4.320 4.504 -0.184 2
1 1003 . 1 1 A 82 82 ILE C C 82 173.923 173.998 -0.075 2
1 1004 . 1 1 A 82 82 ILE CA C 82 56.118 57.539 -1.422 2
1 1005 . 1 1 A 82 82 ILE CB C 82 38.166 39.099 -0.933 2
1 1009 . 1 1 A 82 82 ILE N N 82 125.281 126.164 -0.883 2
1 1010 . 1 1 A 83 83 PRO HA H 83 4.337 4.425 -0.088 2
1 1017 . 1 1 A 83 83 PRO C C 83 175.167 175.776 -0.609 2
1 1018 . 1 1 A 83 83 PRO CA C 83 62.844 63.228 -0.384 2
1 1019 . 1 1 A 83 83 PRO CB C 83 32.450 32.217 0.233 2
1 1022 . 1 1 A 84 84 ARG H H 84 8.656 8.473 0.183 2
1 1023 . 1 1 A 84 84 ARG HA H 84 4.658 4.817 -0.159 2
1 1031 . 1 1 A 84 84 ARG C C 84 175.137 174.970 0.167 2
1 1032 . 1 1 A 84 84 ARG CA C 84 55.617 54.778 0.839 2
1 1033 . 1 1 A 84 84 ARG CB C 84 30.482 32.561 -2.079 2
1 1036 . 1 1 A 84 84 ARG N N 84 122.316 121.107 1.209 2
1 1038 . 1 1 A 85 85 CYS H H 85 8.783 8.923 -0.140 2
1 1039 . 1 1 A 85 85 CYS HA H 85 4.479 5.074 -0.595 2
1 1042 . 1 1 A 85 85 CYS C C 85 174.906 173.808 1.098 2
1 1043 . 1 1 A 85 85 CYS CA C 85 54.177 54.769 -0.592 2
1 1044 . 1 1 A 85 85 CYS CB C 85 39.574 44.790 -5.216 2
1 1045 . 1 1 A 85 85 CYS N N 85 124.002 122.085 1.917 2
1 1046 . 1 1 A 86 86 ALA H H 86 8.746 8.706 0.040 2
1 1047 . 1 1 A 86 86 ALA HA H 86 4.255 4.311 -0.056 2
1 1051 . 1 1 A 86 86 ALA C C 86 176.236 177.174 -0.938 2
1 1052 . 1 1 A 86 86 ALA CA C 86 53.067 53.134 -0.067 2
1 1053 . 1 1 A 86 86 ALA CB C 86 19.034 18.947 0.087 2
1 1054 . 1 1 A 86 86 ALA N N 86 126.444 125.710 0.734 2
1 1064 . 2 2 B 2 2 SER HA H 100 4.570 4.438 0.132 2
1 1067 . 2 2 B 2 2 SER C C 100 174.779 175.084 -0.305 2
1 1068 . 2 2 B 2 2 SER CA C 100 58.624 60.267 -1.643 2
1 1069 . 2 2 B 2 2 SER CB C 100 63.939 47.961 15.978 2
1 1070 . 2 2 B 3 3 VAL H H 101 8.341 8.353 -0.012 2
1 1071 . 2 2 B 3 3 VAL HA H 101 4.151 4.272 -0.121 2
1 1079 . 2 2 B 3 3 VAL C C 101 176.450 176.140 0.310 2
1 1080 . 2 2 B 3 3 VAL CA C 101 62.793 60.062 2.731 2
1 1081 . 2 2 B 3 3 VAL CB C 101 32.495 31.004 1.491 2
1 1084 . 2 2 B 3 3 VAL N N 101 121.954 122.476 -0.522 2
1 1085 . 2 2 B 4 4 GLU H H 102 8.521 8.169 0.352 2
1 1086 . 2 2 B 4 4 GLU HA H 102 4.291 4.567 -0.276 2
1 1091 . 2 2 B 4 4 GLU C C 102 176.450 175.912 0.538 2
1 1092 . 2 2 B 4 4 GLU CA C 102 56.955 57.327 -0.372 2
1 1093 . 2 2 B 4 4 GLU CB C 102 30.233 35.185 -4.952 2
1 1095 . 2 2 B 4 4 GLU N N 102 124.722 121.443 3.279 2
1 1096 . 2 2 B 5 5 LYS H H 103 8.323 8.424 -0.101 2
1 1097 . 2 2 B 5 5 LYS HA H 103 4.313 4.369 -0.056 2
1 1106 . 2 2 B 5 5 LYS C C 103 176.784 175.383 1.401 2
1 1107 . 2 2 B 5 5 LYS CA C 103 56.688 57.972 -1.284 2
1 1108 . 2 2 B 5 5 LYS CB C 103 30.228 48.160 -17.932 2
1 1112 . 2 2 B 5 5 LYS N N 103 122.689 120.243 2.446 2
1 1113 . 2 2 B 6 6 LEU H H 104 8.369 7.930 0.439 2
1 1114 . 2 2 B 6 6 LEU HA H 104 4.500 4.317 0.183 2
1 1124 . 2 2 B 6 6 LEU C C 104 177.632 176.055 1.577 2
1 1125 . 2 2 B 6 6 LEU CA C 104 55.480 55.830 -0.350 2
1 1126 . 2 2 B 6 6 LEU CB C 104 42.587 35.773 6.814 2
1 1130 . 2 2 B 6 6 LEU N N 104 123.373 119.676 3.697 2
1 1131 . 2 2 B 7 7 THR HA H 105 4.558 4.492 0.066 2
1 1137 . 2 2 B 7 7 THR C C 105 175.614 175.399 0.215 2
1 1138 . 2 2 B 7 7 THR CA C 105 62.000 59.060 2.940 2
1 1139 . 2 2 B 7 7 THR CB C 105 70.090 50.396 19.694 2
1 1141 . 2 2 B 8 8 ALA H H 106 8.649 8.489 0.160 2
1 1142 . 2 2 B 8 8 ALA HA H 106 4.458 4.598 -0.140 2
1 1146 . 2 2 B 8 8 ALA C C 106 179.290 175.682 3.608 2
1 1147 . 2 2 B 8 8 ALA CA C 106 55.552 54.970 0.582 2
1 1148 . 2 2 B 8 8 ALA CB C 106 18.704 31.750 -13.046 2
1 1149 . 2 2 B 8 8 ALA N N 106 124.857 121.496 3.361 2
1 1150 . 2 2 B 9 9 ASP H H 107 8.286 8.658 -0.372 2
1 1151 . 2 2 B 9 9 ASP HA H 107 4.457 4.714 -0.257 2
1 1154 . 2 2 B 9 9 ASP C C 107 178.845 176.823 2.022 2
1 1155 . 2 2 B 9 9 ASP CA C 107 57.733 55.432 2.301 2
1 1156 . 2 2 B 9 9 ASP CB C 107 40.881 37.847 3.034 2
1 1157 . 2 2 B 9 9 ASP N N 107 115.621 119.859 -4.238 2
1 1158 . 2 2 B 10 10 ALA H H 108 7.887 8.339 -0.452 2
1 1159 . 2 2 B 10 10 ALA HA H 108 4.182 4.426 -0.244 2
1 1163 . 2 2 B 10 10 ALA C C 108 180.906 177.536 3.370 2
1 1164 . 2 2 B 10 10 ALA CA C 108 55.014 55.770 -0.756 2
1 1165 . 2 2 B 10 10 ALA CB C 108 18.631 24.268 -5.637 2
1 1166 . 2 2 B 10 10 ALA N N 108 122.756 122.038 0.718 2
1 1167 . 2 2 B 11 11 GLU H H 109 8.390 8.335 0.055 2
1 1168 . 2 2 B 11 11 GLU HA H 109 4.256 4.109 0.147 2
1 1173 . 2 2 B 11 11 GLU C C 109 178.678 176.999 1.679 2
1 1174 . 2 2 B 11 11 GLU CA C 109 59.105 52.797 6.308 2
1 1175 . 2 2 B 11 11 GLU CB C 109 29.559 29.453 0.106 2
1 1177 . 2 2 B 11 11 GLU N N 109 121.999 116.026 5.973 2
1 1178 . 2 2 B 12 12 LEU H H 110 8.395 8.526 -0.131 2
1 1179 . 2 2 B 12 12 LEU HA H 110 3.808 4.226 -0.418 2
1 1189 . 2 2 B 12 12 LEU C C 110 178.288 177.029 1.259 2
1 1190 . 2 2 B 12 12 LEU CA C 110 58.407 58.584 -0.177 2
1 1191 . 2 2 B 12 12 LEU CB C 110 41.329 52.728 -11.399 2
1 1195 . 2 2 B 12 12 LEU N N 110 119.939 120.239 -0.300 2
1 1196 . 2 2 B 13 13 GLN H H 111 7.761 8.104 -0.343 2
1 1197 . 2 2 B 13 13 GLN HA H 111 4.008 3.937 0.071 2
1 1202 . 2 2 B 13 13 GLN C C 111 177.954 176.861 1.093 2
1 1203 . 2 2 B 13 13 GLN CA C 111 58.674 52.493 6.181 2
1 1204 . 2 2 B 13 13 GLN CB C 111 28.513 28.255 0.259 2
1 1206 . 2 2 B 13 13 GLN N N 111 117.305 114.006 3.299 2
1 1207 . 2 2 B 14 14 ARG H H 112 7.752 8.072 -0.320 2
1 1208 . 2 2 B 14 14 ARG HA H 112 4.053 4.256 -0.203 2
1 1216 . 2 2 B 14 14 ARG C C 112 179.625 178.358 1.267 2
1 1217 . 2 2 B 14 14 ARG CA C 112 59.770 58.894 0.876 2
1 1218 . 2 2 B 14 14 ARG CB C 112 29.884 29.711 0.173 2
1 1221 . 2 2 B 14 14 ARG N N 112 121.241 120.577 0.664 2
1 1223 . 2 2 B 15 15 LEU H H 113 8.478 8.172 0.306 2
1 1224 . 2 2 B 15 15 LEU HA H 113 3.974 4.390 -0.416 2
1 1234 . 2 2 B 15 15 LEU C C 113 180.627 177.030 3.597 2
1 1235 . 2 2 B 15 15 LEU CA C 113 58.251 55.397 2.854 2
1 1236 . 2 2 B 15 15 LEU CB C 113 41.751 40.036 1.715 2
1 1240 . 2 2 B 15 15 LEU N N 113 120.898 118.300 2.598 2
1 1241 . 2 2 B 16 16 LYS H H 114 8.437 7.927 0.510 2
1 1242 . 2 2 B 16 16 LYS HA H 114 3.368 4.274 -0.906 2
1 1251 . 2 2 B 16 16 LYS C C 114 178.288 177.036 1.252 2
1 1252 . 2 2 B 16 16 LYS CA C 114 60.242 58.757 1.485 2
1 1253 . 2 2 B 16 16 LYS CB C 114 30.249 35.420 -5.171 2
1 1257 . 2 2 B 16 16 LYS N N 114 123.214 121.440 1.774 2
1 1258 . 2 2 B 17 17 ASN H H 115 8.137 8.557 -0.420 2
1 1259 . 2 2 B 17 17 ASN HA H 115 4.270 4.644 -0.374 2
1 1264 . 2 2 B 17 17 ASN C C 115 178.288 176.598 1.690 2
1 1265 . 2 2 B 17 17 ASN CA C 115 56.318 54.562 1.756 2
1 1266 . 2 2 B 17 17 ASN CB C 115 37.573 39.287 -1.714 2
1 1267 . 2 2 B 17 17 ASN N N 115 117.923 122.351 -4.428 2
1 1269 . 2 2 B 18 18 GLU H H 116 8.110 7.918 0.192 2
1 1270 . 2 2 B 18 18 GLU HA H 116 4.146 4.014 0.132 2
1 1275 . 2 2 B 18 18 GLU C C 116 178.956 176.429 2.527 2
1 1276 . 2 2 B 18 18 GLU CA C 116 59.659 51.841 7.818 2
1 1277 . 2 2 B 18 18 GLU CB C 116 29.950 29.208 0.742 2
1 1279 . 2 2 B 18 18 GLU N N 116 120.249 114.729 5.520 2
1 1280 . 2 2 B 19 19 ARG H H 117 7.925 8.287 -0.362 2
1 1281 . 2 2 B 19 19 ARG HA H 117 4.057 3.691 0.366 2
1 1289 . 2 2 B 19 19 ARG C C 117 180.070 177.487 2.583 2
1 1290 . 2 2 B 19 19 ARG CA C 117 59.564 57.249 2.315 2
1 1291 . 2 2 B 19 19 ARG CB C 117 29.879 30.888 -1.009 2
1 1294 . 2 2 B 19 19 ARG N N 117 119.801 118.388 1.413 2
1 1296 . 2 2 B 20 20 HIS H H 118 8.316 7.634 0.682 2
1 1297 . 2 2 B 20 20 HIS HA H 118 4.574 4.285 0.289 2
1 1304 . 2 2 B 20 20 HIS C C 118 176.784 177.052 -0.268 2
1 1305 . 2 2 B 20 20 HIS CA C 118 58.397 60.628 -2.231 2
1 1306 . 2 2 B 20 20 HIS CB C 118 29.343 34.325 -4.982 2
1 1309 . 2 2 B 20 20 HIS N N 118 117.802 120.871 -3.069 2
1 1310 . 2 2 B 21 21 GLU H H 119 8.400 8.764 -0.364 2
1 1311 . 2 2 B 21 21 GLU HA H 119 4.268 4.478 -0.210 2
1 1316 . 2 2 B 21 21 GLU C C 119 178.566 176.564 2.002 2
1 1317 . 2 2 B 21 21 GLU CA C 119 59.105 58.670 0.435 2
1 1318 . 2 2 B 21 21 GLU CB C 119 29.559 46.982 -17.423 2
1 1320 . 2 2 B 21 21 GLU N N 119 121.996 120.402 1.594 2
1 1321 . 2 2 B 22 22 GLU H H 120 8.285 8.213 0.072 2
1 1322 . 2 2 B 22 22 GLU HA H 120 4.204 4.721 -0.517 2
1 1327 . 2 2 B 22 22 GLU C C 120 178.288 177.750 0.538 2
1 1328 . 2 2 B 22 22 GLU CA C 120 58.841 56.951 1.890 2
1 1329 . 2 2 B 22 22 GLU CB C 120 29.322 32.628 -3.306 2
1 1331 . 2 2 B 22 22 GLU N N 120 119.798 120.724 -0.926 2
1 1332 . 2 2 B 23 23 ALA H H 121 8.037 8.639 -0.602 2
1 1333 . 2 2 B 23 23 ALA HA H 121 4.270 4.407 -0.137 2
1 1337 . 2 2 B 23 23 ALA C C 121 179.569 177.828 1.741 2
1 1338 . 2 2 B 23 23 ALA CA C 121 54.158 57.846 -3.688 2
1 1339 . 2 2 B 23 23 ALA CB C 121 18.923 44.885 -25.962 2
1 1340 . 2 2 B 23 23 ALA N N 121 122.418 118.330 4.088 2
1 1341 . 2 2 B 24 24 GLU H H 122 8.039 8.487 -0.448 2
1 1342 . 2 2 B 24 24 GLU HA H 122 4.291 4.135 0.156 2
1 1347 . 2 2 B 24 24 GLU C C 122 177.954 178.295 -0.341 2
1 1348 . 2 2 B 24 24 GLU CA C 122 58.023 58.362 -0.339 2
1 1349 . 2 2 B 24 24 GLU CB C 122 29.566 31.117 -1.551 2
1 1351 . 2 2 B 24 24 GLU N N 122 119.517 119.085 0.432 2
1 1352 . 2 2 B 25 25 LEU H H 123 7.962 8.385 -0.423 2
1 1353 . 2 2 B 25 25 LEU HA H 123 4.226 4.267 -0.041 2
1 1363 . 2 2 B 25 25 LEU C C 123 179.123 177.064 2.060 2
1 1364 . 2 2 B 25 25 LEU CA C 123 57.213 58.405 -1.192 2
1 1365 . 2 2 B 25 25 LEU CB C 123 41.809 52.856 -11.047 2
1 1369 . 2 2 B 25 25 LEU N N 123 120.617 116.572 4.045 2
1 1370 . 2 2 B 26 26 GLU H H 124 8.093 8.317 -0.224 2
1 1371 . 2 2 B 26 26 GLU HA H 124 4.140 3.971 0.169 2
1 1376 . 2 2 B 26 26 GLU C C 124 177.954 176.762 1.192 2
1 1377 . 2 2 B 26 26 GLU CA C 124 58.095 52.626 5.469 2
1 1378 . 2 2 B 26 26 GLU CB C 124 29.910 29.168 0.742 2
1 1380 . 2 2 B 26 26 GLU N N 124 119.473 115.257 4.216 2
1 1381 . 2 2 B 27 27 ARG H H 125 7.954 8.063 -0.109 2
1 1382 . 2 2 B 27 27 ARG HA H 125 4.210 4.335 -0.125 2
1 1390 . 2 2 B 27 27 ARG C C 125 177.619 177.499 0.120 2
1 1391 . 2 2 B 27 27 ARG CA C 125 57.677 56.603 1.074 2
1 1392 . 2 2 B 27 27 ARG CB C 125 30.374 36.275 -5.901 2
1 1395 . 2 2 B 27 27 ARG N N 125 120.670 121.252 -0.582 2
1 1397 . 2 2 B 28 28 LEU H H 126 8.038 8.461 -0.423 2
1 1398 . 2 2 B 28 28 LEU HA H 126 4.270 4.314 -0.044 2
1 1408 . 2 2 B 28 28 LEU C C 126 178.065 177.427 0.638 2
1 1409 . 2 2 B 28 28 LEU CA C 126 56.096 56.832 -0.736 2
1 1410 . 2 2 B 28 28 LEU CB C 126 42.252 36.123 6.129 2
1 1414 . 2 2 B 28 28 LEU N N 126 120.818 120.897 -0.079 2
1 1415 . 2 2 B 29 29 LYS H H 127 7.944 8.509 -0.565 2
1 1416 . 2 2 B 29 29 LYS HA H 127 4.270 4.572 -0.302 2
1 1425 . 2 2 B 29 29 LYS C C 127 176.951 175.046 1.905 2
1 1426 . 2 2 B 29 29 LYS CA C 127 57.168 57.501 -0.333 2
1 1427 . 2 2 B 29 29 LYS CB C 127 32.755 37.748 -4.993 2
1 1431 . 2 2 B 29 29 LYS N N 127 119.960 122.041 -2.081 2
1 1432 . 2 2 B 30 30 SER H H 128 8.030 8.451 -0.421 2
1 1433 . 2 2 B 30 30 SER HA H 128 4.466 4.501 -0.035 2
1 1436 . 2 2 B 30 30 SER C C 128 176.101 174.928 1.173 2
1 1437 . 2 2 B 30 30 SER CA C 128 58.590 56.954 1.636 2
1 1438 . 2 2 B 30 30 SER CB C 128 63.939 46.624 17.315 2
1 1439 . 2 2 B 30 30 SER N N 128 115.496 119.066 -3.570 2
1 1440 . 2 2 B 31 31 GLU H H 129 8.157 8.530 -0.373 2
1 1441 . 2 2 B 31 31 GLU HA H 129 4.291 4.508 -0.217 2
1 1446 . 2 2 B 31 31 GLU C C 129 175.112 176.896 -1.784 2
1 1447 . 2 2 B 31 31 GLU CA C 129 56.654 54.642 2.012 2
1 1448 . 2 2 B 31 31 GLU CB C 129 30.389 24.742 5.647 2
1 1450 . 2 2 B 31 31 GLU N N 129 122.569 124.307 -1.738 2
stop_
save_