data_16572_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16572
_Entry.PDB_ID 2KPW
_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 3 3 HIS H H 3 8.528 7.471 1.057 1
1 2 . 1 1 1 A 3 3 HIS HA H 3 4.626 4.704 -0.078 1
1 5 . 1 1 1 A 3 3 HIS CA C 3 55.260 55.628 -0.368 1
1 6 . 1 1 1 A 3 3 HIS CB C 3 29.250 30.545 -1.295 1
1 7 . 1 1 1 A 3 3 HIS N N 3 118.990 119.677 -0.687 1
1 8 . 1 1 1 A 4 4 HIS H H 4 8.528 7.442 1.086 1
1 9 . 1 1 1 A 4 4 HIS HA H 4 4.624 4.708 -0.084 1
1 12 . 1 1 1 A 4 4 HIS CA C 4 55.277 54.671 0.606 1
1 13 . 1 1 1 A 4 4 HIS CB C 4 29.002 31.164 -2.162 1
1 14 . 1 1 1 A 4 4 HIS N N 4 118.990 114.550 4.440 1
1 15 . 1 1 1 A 5 5 HIS H H 5 8.579 8.797 -0.218 1
1 16 . 1 1 1 A 5 5 HIS HA H 5 4.737 4.658 0.079 1
1 19 . 1 1 1 A 5 5 HIS CA C 5 55.330 55.884 -0.554 1
1 20 . 1 1 1 A 5 5 HIS CB C 5 29.257 31.026 -1.769 1
1 21 . 1 1 1 A 5 5 HIS N N 5 119.720 121.013 -1.293 1
1 22 . 1 1 1 A 6 6 HIS H H 6 8.603 8.382 0.221 1
1 23 . 1 1 1 A 6 6 HIS HA H 6 4.674 5.151 -0.477 1
1 26 . 1 1 1 A 6 6 HIS CA C 6 55.150 54.793 0.357 1
1 27 . 1 1 1 A 6 6 HIS CB C 6 27.340 32.337 -4.997 1
1 28 . 1 1 1 A 6 6 HIS N N 6 121.420 122.118 -0.698 1
1 29 . 1 1 1 A 7 7 HIS H H 7 8.706 8.754 -0.048 1
1 30 . 1 1 1 A 7 7 HIS HA H 7 4.658 4.711 -0.053 1
1 33 . 1 1 1 A 7 7 HIS CA C 7 55.100 56.167 -1.067 1
1 34 . 1 1 1 A 7 7 HIS CB C 7 29.300 32.904 -3.604 1
1 35 . 1 1 1 A 7 7 HIS N N 7 121.200 121.174 0.026 1
1 36 . 1 1 1 A 8 8 HIS H H 8 8.706 8.527 0.179 1
1 37 . 1 1 1 A 8 8 HIS HA H 8 4.706 4.754 -0.048 1
1 40 . 1 1 1 A 8 8 HIS CA C 8 55.156 55.251 -0.095 1
1 41 . 1 1 1 A 8 8 HIS CB C 8 29.396 29.938 -0.542 1
1 42 . 1 1 1 A 8 8 HIS N N 8 121.200 126.122 -4.922 1
1 43 . 1 1 1 A 9 9 SER H H 9 8.551 8.765 -0.214 1
1 44 . 1 1 1 A 9 9 SER HA H 9 4.450 4.689 -0.239 1
1 47 . 1 1 1 A 9 9 SER CA C 9 58.200 57.536 0.664 1
1 48 . 1 1 1 A 9 9 SER CB C 9 63.740 66.720 -2.980 1
1 49 . 1 1 1 A 9 9 SER N N 9 118.046 119.012 -0.966 1
1 50 . 1 1 1 A 10 10 HIS H H 10 8.770 9.106 -0.336 1
1 51 . 1 1 1 A 10 10 HIS HA H 10 4.726 4.741 -0.015 1
1 54 . 1 1 1 A 10 10 HIS CA C 10 55.640 55.214 0.426 1
1 55 . 1 1 1 A 10 10 HIS CB C 10 29.172 28.528 0.644 1
1 56 . 1 1 1 A 10 10 HIS N N 10 120.412 122.920 -2.508 1
1 57 . 1 1 1 A 11 11 MET H H 11 8.528 8.295 0.233 1
1 58 . 1 1 1 A 11 11 MET HA H 11 4.658 4.739 -0.081 1
1 66 . 1 1 1 A 11 11 MET CA C 11 55.438 54.849 0.589 1
1 67 . 1 1 1 A 11 11 MET CB C 11 33.090 30.669 2.421 1
1 70 . 1 1 1 A 11 11 MET N N 11 122.400 125.154 -2.754 1
1 71 . 1 1 1 A 12 12 THR H H 12 8.339 8.461 -0.122 1
1 72 . 1 1 1 A 12 12 THR HA H 12 4.450 5.462 -1.012 1
1 77 . 1 1 1 A 12 12 THR CA C 12 61.810 60.232 1.578 1
1 78 . 1 1 1 A 12 12 THR CB C 12 70.450 70.205 0.245 1
1 80 . 1 1 1 A 12 12 THR N N 12 115.700 117.796 -2.096 1
1 81 . 1 1 1 A 13 13 GLY H H 13 8.426 8.795 -0.369 1
1 82 . 1 1 1 A 13 13 GLY HA2 H 13 4.287 4.138 0.149 1
1 83 . 1 1 1 A 13 13 GLY HA3 H 13 3.877 4.214 -0.337 1
1 84 . 1 1 1 A 13 13 GLY CA C 13 45.243 45.757 -0.514 1
1 85 . 1 1 1 A 13 13 GLY N N 13 110.872 110.363 0.509 1
1 86 . 1 1 1 A 14 14 ASN H H 14 8.374 8.418 -0.044 1
1 87 . 1 1 1 A 14 14 ASN HA H 14 4.720 4.850 -0.130 1
1 92 . 1 1 1 A 14 14 ASN CA C 14 54.200 52.037 2.163 1
1 93 . 1 1 1 A 14 14 ASN CB C 14 39.210 36.993 2.217 1
1 94 . 1 1 1 A 14 14 ASN N N 14 117.789 119.031 -1.242 1
1 96 . 1 1 1 A 15 15 VAL H H 15 7.890 8.634 -0.744 1
1 97 . 1 1 1 A 15 15 VAL HA H 15 4.843 4.786 0.057 1
1 105 . 1 1 1 A 15 15 VAL CA C 15 61.759 60.294 1.465 1
1 106 . 1 1 1 A 15 15 VAL CB C 15 33.230 33.737 -0.507 1
1 109 . 1 1 1 A 15 15 VAL N N 15 118.720 124.684 -5.964 1
1 110 . 1 1 1 A 16 16 CYS H H 16 9.060 9.178 -0.118 1
1 111 . 1 1 1 A 16 16 CYS HA H 16 4.899 5.143 -0.244 1
1 114 . 1 1 1 A 16 16 CYS CA C 16 54.620 57.719 -3.099 1
1 115 . 1 1 1 A 16 16 CYS CB C 16 30.900 31.606 -0.706 1
1 116 . 1 1 1 A 16 16 CYS N N 16 122.674 125.292 -2.618 1
1 117 . 1 1 1 A 17 17 ILE H H 17 8.845 8.941 -0.096 1
1 118 . 1 1 1 A 17 17 ILE HA H 17 4.153 4.053 0.100 1
1 128 . 1 1 1 A 17 17 ILE CA C 17 61.080 61.776 -0.696 1
1 129 . 1 1 1 A 17 17 ILE CB C 17 36.397 36.886 -0.489 1
1 133 . 1 1 1 A 17 17 ILE N N 17 122.609 125.326 -2.717 1
1 134 . 1 1 1 A 18 18 GLU H H 18 8.917 8.668 0.249 1
1 135 . 1 1 1 A 18 18 GLU HA H 18 4.230 4.114 0.116 1
1 140 . 1 1 1 A 18 18 GLU CA C 18 57.160 58.984 -1.824 1
1 141 . 1 1 1 A 18 18 GLU CB C 18 30.550 30.857 -0.307 1
1 143 . 1 1 1 A 18 18 GLU N N 18 130.894 130.088 0.806 1
1 144 . 1 1 1 A 19 19 GLU H H 19 7.853 7.261 0.592 1
1 145 . 1 1 1 A 19 19 GLU HA H 19 4.470 4.714 -0.244 1
1 150 . 1 1 1 A 19 19 GLU CA C 19 56.110 56.181 -0.071 1
1 151 . 1 1 1 A 19 19 GLU CB C 19 33.847 33.623 0.224 1
1 153 . 1 1 1 A 19 19 GLU N N 19 115.069 118.056 -2.987 1
1 154 . 1 1 1 A 20 20 ILE H H 20 8.744 9.009 -0.265 1
1 155 . 1 1 1 A 20 20 ILE HA H 20 4.080 4.644 -0.564 1
1 165 . 1 1 1 A 20 20 ILE CA C 20 60.619 60.170 0.449 1
1 166 . 1 1 1 A 20 20 ILE CB C 20 39.170 40.232 -1.062 1
1 170 . 1 1 1 A 20 20 ILE N N 20 127.309 127.630 -0.321 1
1 171 . 1 1 1 A 21 21 ASP H H 21 7.468 8.280 -0.812 1
1 172 . 1 1 1 A 21 21 ASP HA H 21 3.949 4.069 -0.120 1
1 175 . 1 1 1 A 21 21 ASP CA C 21 54.970 54.366 0.604 1
1 176 . 1 1 1 A 21 21 ASP CB C 21 42.170 41.223 0.947 1
1 177 . 1 1 1 A 21 21 ASP N N 21 124.858 127.634 -2.776 1
1 178 . 1 1 1 A 22 22 VAL H H 22 8.650 8.534 0.116 1
1 179 . 1 1 1 A 22 22 VAL HA H 22 3.998 3.886 0.112 1
1 187 . 1 1 1 A 22 22 VAL CA C 22 64.445 64.473 -0.028 1
1 188 . 1 1 1 A 22 22 VAL CB C 22 31.244 31.885 -0.641 1
1 191 . 1 1 1 A 22 22 VAL N N 22 130.172 126.405 3.767 1
1 192 . 1 1 1 A 23 23 ASP H H 23 7.482 7.567 -0.085 1
1 193 . 1 1 1 A 23 23 ASP HA H 23 4.711 4.566 0.145 1
1 196 . 1 1 1 A 23 23 ASP CA C 23 53.920 54.110 -0.190 1
1 197 . 1 1 1 A 23 23 ASP CB C 23 40.100 41.369 -1.269 1
1 198 . 1 1 1 A 23 23 ASP N N 23 118.547 119.848 -1.301 1
1 199 . 1 1 1 A 24 24 GLY H H 24 7.220 7.491 -0.271 1
1 200 . 1 1 1 A 24 24 GLY HA2 H 24 2.950 3.275 -0.325 1
1 201 . 1 1 1 A 24 24 GLY HA3 H 24 2.407 3.326 -0.919 1
1 202 . 1 1 1 A 24 24 GLY CA C 24 45.040 44.977 0.063 1
1 203 . 1 1 1 A 24 24 GLY N N 24 105.293 106.571 -1.278 1
1 204 . 1 1 1 A 25 25 LYS H H 25 8.757 7.851 0.906 1
1 205 . 1 1 1 A 25 25 LYS HA H 25 3.964 3.903 0.061 1
1 214 . 1 1 1 A 25 25 LYS CA C 25 56.590 56.938 -0.348 1
1 215 . 1 1 1 A 25 25 LYS CB C 25 33.660 33.075 0.585 1
1 219 . 1 1 1 A 25 25 LYS N N 25 111.753 117.346 -5.593 1
1 220 . 1 1 1 A 26 26 PHE H H 26 6.380 7.285 -0.905 1
1 221 . 1 1 1 A 26 26 PHE HA H 26 5.753 5.707 0.046 1
1 229 . 1 1 1 A 26 26 PHE CA C 26 56.370 55.790 0.580 1
1 230 . 1 1 1 A 26 26 PHE CB C 26 40.030 42.161 -2.131 1
1 236 . 1 1 1 A 26 26 PHE N N 26 110.097 114.033 -3.936 1
1 237 . 1 1 1 A 27 27 ILE H H 27 8.601 9.001 -0.400 1
1 238 . 1 1 1 A 27 27 ILE HA H 27 4.506 4.904 -0.398 1
1 248 . 1 1 1 A 27 27 ILE CA C 27 60.905 60.333 0.572 1
1 249 . 1 1 1 A 27 27 ILE CB C 27 43.249 40.556 2.693 1
1 253 . 1 1 1 A 27 27 ILE N N 27 119.676 120.403 -0.727 1
1 254 . 1 1 1 A 28 28 ARG H H 28 9.290 8.882 0.408 1
1 255 . 1 1 1 A 28 28 ARG HA H 28 5.561 4.900 0.661 1
1 262 . 1 1 1 A 28 28 ARG CA C 28 54.650 55.097 -0.447 1
1 263 . 1 1 1 A 28 28 ARG CB C 28 34.180 31.911 2.269 1
1 266 . 1 1 1 A 28 28 ARG N N 28 127.516 128.653 -1.137 1
1 267 . 1 1 1 A 29 29 LEU H H 29 9.502 9.091 0.411 1
1 268 . 1 1 1 A 29 29 LEU HA H 29 5.306 4.815 0.491 1
1 278 . 1 1 1 A 29 29 LEU CA C 29 54.010 53.705 0.305 1
1 279 . 1 1 1 A 29 29 LEU CB C 29 44.020 43.133 0.887 1
1 283 . 1 1 1 A 29 29 LEU N N 29 126.696 128.435 -1.739 1
1 284 . 1 1 1 A 30 30 LYS H H 30 8.641 8.730 -0.089 1
1 285 . 1 1 1 A 30 30 LYS HA H 30 5.108 4.806 0.302 1
1 294 . 1 1 1 A 30 30 LYS CA C 30 54.660 55.122 -0.462 1
1 295 . 1 1 1 A 30 30 LYS CB C 30 38.070 35.944 2.126 1
1 299 . 1 1 1 A 30 30 LYS N N 30 118.761 121.879 -3.118 1
1 300 . 1 1 1 A 31 31 ASN H H 31 8.397 8.835 -0.438 1
1 301 . 1 1 1 A 31 31 ASN HA H 31 5.319 4.931 0.388 1
1 306 . 1 1 1 A 31 31 ASN CA C 31 50.690 52.414 -1.724 1
1 307 . 1 1 1 A 31 31 ASN CB C 31 37.490 38.540 -1.050 1
1 308 . 1 1 1 A 31 31 ASN N N 31 123.996 125.455 -1.459 1
1 310 . 1 1 1 A 32 32 THR H H 32 8.455 8.771 -0.316 1
1 311 . 1 1 1 A 32 32 THR HA H 32 4.302 4.571 -0.269 1
1 316 . 1 1 1 A 32 32 THR CA C 32 61.492 60.817 0.675 1
1 317 . 1 1 1 A 32 32 THR CB C 32 68.110 69.460 -1.350 1
1 319 . 1 1 1 A 32 32 THR N N 32 115.755 122.859 -7.104 1
1 320 . 1 1 1 A 33 33 SER H H 33 8.487 7.923 0.564 1
1 321 . 1 1 1 A 33 33 SER HA H 33 4.793 4.583 0.210 1
1 324 . 1 1 1 A 33 33 SER CA C 33 57.500 56.971 0.529 1
1 325 . 1 1 1 A 33 33 SER CB C 33 66.510 66.065 0.445 1
1 326 . 1 1 1 A 33 33 SER N N 33 120.037 116.103 3.934 1
1 327 . 1 1 1 A 34 34 GLU H H 34 8.355 8.886 -0.531 1
1 328 . 1 1 1 A 34 34 GLU HA H 34 4.335 4.345 -0.010 1
1 333 . 1 1 1 A 34 34 GLU CA C 34 55.840 56.904 -1.064 1
1 334 . 1 1 1 A 34 34 GLU CB C 34 28.930 30.348 -1.418 1
1 336 . 1 1 1 A 34 34 GLU N N 34 116.545 118.174 -1.629 1
1 337 . 1 1 1 A 35 35 GLN H H 35 8.634 7.559 1.075 1
1 338 . 1 1 1 A 35 35 GLN HA H 35 4.664 4.739 -0.075 1
1 345 . 1 1 1 A 35 35 GLN CA C 35 53.740 54.640 -0.900 1
1 346 . 1 1 1 A 35 35 GLN CB C 35 31.696 32.476 -0.780 1
1 348 . 1 1 1 A 35 35 GLN N N 35 120.013 119.824 0.189 1
1 350 . 1 1 1 A 36 36 ASP H H 36 8.859 8.702 0.157 1
1 351 . 1 1 1 A 36 36 ASP HA H 36 4.050 4.781 -0.731 1
1 354 . 1 1 1 A 36 36 ASP CA C 36 54.640 54.336 0.304 1
1 355 . 1 1 1 A 36 36 ASP CB C 36 40.120 40.602 -0.482 1
1 356 . 1 1 1 A 36 36 ASP N N 36 124.552 122.808 1.744 1
1 357 . 1 1 1 A 37 37 GLN H H 37 8.141 8.943 -0.802 1
1 358 . 1 1 1 A 37 37 GLN HA H 37 4.786 4.739 0.047 1
1 365 . 1 1 1 A 37 37 GLN CA C 37 50.858 52.722 -1.864 1
1 366 . 1 1 1 A 37 37 GLN CB C 37 31.860 29.184 2.676 1
1 368 . 1 1 1 A 37 37 GLN N N 37 120.015 123.047 -3.032 1
1 370 . 1 1 1 A 38 38 PRO HA H 38 4.367 4.676 -0.309 1
1 377 . 1 1 1 A 38 38 PRO CA C 38 63.330 62.151 1.179 1
1 378 . 1 1 1 A 38 38 PRO CB C 38 31.750 31.808 -0.058 1
1 381 . 1 1 1 A 39 39 MET H H 39 8.392 8.832 -0.440 1
1 382 . 1 1 1 A 39 39 MET HA H 39 2.792 3.820 -1.028 1
1 390 . 1 1 1 A 39 39 MET CA C 39 53.780 58.104 -4.324 1
1 391 . 1 1 1 A 39 39 MET CB C 39 34.410 32.321 2.089 1
1 394 . 1 1 1 A 39 39 MET N N 39 124.427 122.243 2.184 1
1 395 . 1 1 1 A 40 40 GLY H H 40 7.940 8.420 -0.480 1
1 396 . 1 1 1 A 40 40 GLY HA2 H 40 4.154 3.920 0.234 1
1 397 . 1 1 1 A 40 40 GLY HA3 H 40 3.763 3.964 -0.201 1
1 398 . 1 1 1 A 40 40 GLY CA C 40 48.114 47.348 0.766 1
1 399 . 1 1 1 A 40 40 GLY N N 40 108.664 106.989 1.675 1
1 400 . 1 1 1 A 41 41 GLY H H 41 7.959 8.266 -0.307 1
1 401 . 1 1 1 A 41 41 GLY HA2 H 41 4.323 4.238 0.085 1
1 402 . 1 1 1 A 41 41 GLY HA3 H 41 3.769 4.295 -0.526 1
1 403 . 1 1 1 A 41 41 GLY CA C 41 46.020 45.973 0.047 1
1 404 . 1 1 1 A 41 41 GLY N N 41 114.027 108.354 5.673 1
1 405 . 1 1 1 A 42 42 TRP H H 42 8.667 8.399 0.268 1
1 406 . 1 1 1 A 42 42 TRP HA H 42 4.408 4.643 -0.235 1
1 415 . 1 1 1 A 42 42 TRP CA C 42 58.925 57.435 1.490 1
1 416 . 1 1 1 A 42 42 TRP CB C 42 28.120 29.940 -1.820 1
1 422 . 1 1 1 A 42 42 TRP N N 42 122.097 121.318 0.779 1
1 424 . 1 1 1 A 43 43 GLU H H 43 8.740 8.862 -0.122 1
1 425 . 1 1 1 A 43 43 GLU HA H 43 5.462 5.374 0.088 1
1 430 . 1 1 1 A 43 43 GLU CA C 43 54.410 54.800 -0.390 1
1 431 . 1 1 1 A 43 43 GLU CB C 43 33.980 32.882 1.098 1
1 433 . 1 1 1 A 43 43 GLU N N 43 120.300 121.137 -0.837 1
1 434 . 1 1 1 A 44 44 MET H H 44 9.658 9.499 0.159 1
1 435 . 1 1 1 A 44 44 MET HA H 44 5.488 5.143 0.345 1
1 443 . 1 1 1 A 44 44 MET CA C 44 53.360 54.257 -0.897 1
1 444 . 1 1 1 A 44 44 MET CB C 44 37.490 34.180 3.310 1
1 447 . 1 1 1 A 44 44 MET N N 44 126.477 127.583 -1.106 1
1 448 . 1 1 1 A 45 45 ILE H H 45 9.658 9.105 0.553 1
1 449 . 1 1 1 A 45 45 ILE HA H 45 4.781 4.622 0.159 1
1 459 . 1 1 1 A 45 45 ILE CA C 45 60.413 60.740 -0.327 1
1 460 . 1 1 1 A 45 45 ILE CB C 45 40.804 37.934 2.870 1
1 464 . 1 1 1 A 45 45 ILE N N 45 127.329 127.577 -0.248 1
1 465 . 1 1 1 A 46 46 ARG H H 46 9.217 9.375 -0.158 1
1 466 . 1 1 1 A 46 46 ARG HA H 46 5.083 4.767 0.316 1
1 474 . 1 1 1 A 46 46 ARG CA C 46 53.760 55.224 -1.464 1
1 475 . 1 1 1 A 46 46 ARG CB C 46 33.559 31.470 2.089 1
1 478 . 1 1 1 A 46 46 ARG N N 46 126.837 128.882 -2.045 1
1 480 . 1 1 1 A 47 47 LYS H H 47 9.876 9.148 0.728 1
1 481 . 1 1 1 A 47 47 LYS HA H 47 5.257 4.679 0.578 1
1 490 . 1 1 1 A 47 47 LYS CA C 47 55.260 55.617 -0.357 1
1 491 . 1 1 1 A 47 47 LYS CB C 47 34.860 34.813 0.047 1
1 495 . 1 1 1 A 47 47 LYS N N 47 132.271 127.306 4.965 1
1 496 . 1 1 1 A 48 48 ILE H H 48 7.909 8.742 -0.833 1
1 497 . 1 1 1 A 48 48 ILE HA H 48 4.360 4.285 0.075 1
1 507 . 1 1 1 A 48 48 ILE CA C 48 61.132 62.700 -1.568 1
1 508 . 1 1 1 A 48 48 ILE CB C 48 40.316 40.414 -0.098 1
1 512 . 1 1 1 A 48 48 ILE N N 48 125.793 122.270 3.523 1
1 513 . 1 1 1 A 49 49 GLY H H 49 9.576 7.555 2.021 1
1 514 . 1 1 1 A 49 49 GLY HA2 H 49 4.021 4.133 -0.112 1
1 515 . 1 1 1 A 49 49 GLY HA3 H 49 3.730 4.134 -0.404 1
1 516 . 1 1 1 A 49 49 GLY CA C 49 46.910 45.893 1.017 1
1 517 . 1 1 1 A 49 49 GLY N N 49 120.665 108.193 12.472 1
1 518 . 1 1 1 A 50 50 ASP H H 50 8.935 9.057 -0.122 1
1 519 . 1 1 1 A 50 50 ASP HA H 50 4.777 4.518 0.259 1
1 522 . 1 1 1 A 50 50 ASP CA C 50 54.000 56.391 -2.391 1
1 523 . 1 1 1 A 50 50 ASP CB C 50 40.520 40.420 0.100 1
1 524 . 1 1 1 A 50 50 ASP N N 50 126.343 122.073 4.270 1
1 525 . 1 1 1 A 51 51 THR H H 51 8.253 7.981 0.272 1
1 526 . 1 1 1 A 51 51 THR HA H 51 4.638 4.733 -0.095 1
1 531 . 1 1 1 A 51 51 THR CA C 51 61.690 59.257 2.433 1
1 532 . 1 1 1 A 51 51 THR CB C 51 71.080 71.030 0.050 1
1 534 . 1 1 1 A 51 51 THR N N 51 115.167 113.849 1.318 1
1 535 . 1 1 1 A 52 52 SER H H 52 8.710 8.562 0.148 1
1 536 . 1 1 1 A 52 52 SER HA H 52 5.318 5.073 0.245 1
1 539 . 1 1 1 A 52 52 SER CA C 52 57.290 57.472 -0.182 1
1 540 . 1 1 1 A 52 52 SER CB C 52 64.730 65.911 -1.181 1
1 541 . 1 1 1 A 52 52 SER N N 52 121.442 115.872 5.570 1
1 542 . 1 1 1 A 53 53 VAL H H 53 8.448 8.621 -0.173 1
1 543 . 1 1 1 A 53 53 VAL HA H 53 4.650 5.021 -0.371 1
1 551 . 1 1 1 A 53 53 VAL CA C 53 60.449 59.959 0.490 1
1 552 . 1 1 1 A 53 53 VAL CB C 53 35.105 35.990 -0.885 1
1 555 . 1 1 1 A 53 53 VAL N N 53 121.387 120.739 0.648 1
1 556 . 1 1 1 A 54 54 SER H H 54 8.761 9.191 -0.430 1
1 557 . 1 1 1 A 54 54 SER HA H 54 5.760 5.832 -0.072 1
1 560 . 1 1 1 A 54 54 SER CA C 54 57.180 55.733 1.447 1
1 561 . 1 1 1 A 54 54 SER CB C 54 65.910 66.178 -0.268 1
1 562 . 1 1 1 A 54 54 SER N N 54 118.025 122.003 -3.978 1
1 563 . 1 1 1 A 55 55 TYR H H 55 9.340 8.832 0.508 1
1 564 . 1 1 1 A 55 55 TYR HA H 55 4.175 4.977 -0.802 1
1 571 . 1 1 1 A 55 55 TYR CA C 55 57.100 56.720 0.380 1
1 572 . 1 1 1 A 55 55 TYR CB C 55 39.870 41.185 -1.315 1
1 577 . 1 1 1 A 55 55 TYR N N 55 128.024 122.527 5.497 1
1 578 . 1 1 1 A 56 56 LYS H H 56 7.551 8.300 -0.749 1
1 579 . 1 1 1 A 56 56 LYS HA H 56 4.890 4.971 -0.081 1
1 588 . 1 1 1 A 56 56 LYS CA C 56 54.117 54.251 -0.134 1
1 589 . 1 1 1 A 56 56 LYS CB C 56 33.610 33.937 -0.327 1
1 593 . 1 1 1 A 56 56 LYS N N 56 127.706 128.540 -0.834 1
1 594 . 1 1 1 A 57 57 TYR H H 57 8.247 9.120 -0.873 1
1 595 . 1 1 1 A 57 57 TYR HA H 57 3.996 4.830 -0.834 1
1 602 . 1 1 1 A 57 57 TYR CA C 57 59.032 57.758 1.274 1
1 603 . 1 1 1 A 57 57 TYR CB C 57 39.390 40.080 -0.690 1
1 608 . 1 1 1 A 57 57 TYR N N 57 124.225 124.911 -0.686 1
1 609 . 1 1 1 A 58 58 THR H H 58 8.722 8.828 -0.106 1
1 610 . 1 1 1 A 58 58 THR HA H 58 4.259 5.092 -0.833 1
1 615 . 1 1 1 A 58 58 THR CA C 58 62.250 59.835 2.415 1
1 616 . 1 1 1 A 58 58 THR CB C 58 69.280 71.785 -2.505 1
1 618 . 1 1 1 A 58 58 THR N N 58 116.096 115.072 1.024 1
1 619 . 1 1 1 A 59 59 SER H H 59 8.402 8.914 -0.512 1
1 620 . 1 1 1 A 59 59 SER HA H 59 4.050 4.504 -0.454 1
1 623 . 1 1 1 A 59 59 SER CA C 59 61.680 58.319 3.361 1
1 624 . 1 1 1 A 59 59 SER CB C 59 63.210 61.907 1.303 1
1 625 . 1 1 1 A 59 59 SER N N 59 114.556 120.917 -6.361 1
1 626 . 1 1 1 A 60 60 ARG H H 60 8.176 8.442 -0.266 1
1 627 . 1 1 1 A 60 60 ARG HA H 60 4.489 4.739 -0.250 1
1 634 . 1 1 1 A 60 60 ARG CA C 60 54.960 55.463 -0.503 1
1 635 . 1 1 1 A 60 60 ARG CB C 60 29.846 31.695 -1.849 1
1 638 . 1 1 1 A 60 60 ARG N N 60 118.244 120.745 -2.501 1
1 639 . 1 1 1 A 61 61 TYR H H 61 7.617 7.454 0.163 1
1 640 . 1 1 1 A 61 61 TYR HA H 61 3.897 4.975 -1.078 1
1 647 . 1 1 1 A 61 61 TYR CA C 61 61.930 56.780 5.150 1
1 648 . 1 1 1 A 61 61 TYR CB C 61 38.670 40.361 -1.691 1
1 653 . 1 1 1 A 61 61 TYR N N 61 122.301 116.282 6.019 1
1 654 . 1 1 1 A 62 62 VAL H H 62 7.363 8.752 -1.389 1
1 655 . 1 1 1 A 62 62 VAL HA H 62 3.893 4.471 -0.578 1
1 663 . 1 1 1 A 62 62 VAL CA C 62 60.590 60.976 -0.386 1
1 664 . 1 1 1 A 62 62 VAL CB C 62 35.270 34.139 1.131 1
1 667 . 1 1 1 A 62 62 VAL N N 62 129.952 121.204 8.748 1
1 668 . 1 1 1 A 63 63 LEU H H 63 7.852 9.051 -1.199 1
1 669 . 1 1 1 A 63 63 LEU HA H 63 4.558 4.551 0.007 1
1 679 . 1 1 1 A 63 63 LEU CA C 63 51.980 54.175 -2.195 1
1 680 . 1 1 1 A 63 63 LEU CB C 63 42.600 41.018 1.582 1
1 684 . 1 1 1 A 63 63 LEU N N 63 128.635 128.825 -0.190 1
1 685 . 1 1 1 A 64 64 LYS H H 64 8.770 8.531 0.239 1
1 686 . 1 1 1 A 64 64 LYS HA H 64 3.722 4.283 -0.561 1
1 695 . 1 1 1 A 64 64 LYS CA C 64 57.360 56.130 1.230 1
1 696 . 1 1 1 A 64 64 LYS CB C 64 32.381 33.263 -0.882 1
1 700 . 1 1 1 A 64 64 LYS N N 64 130.633 125.040 5.593 1
1 701 . 1 1 1 A 65 65 ALA H H 65 8.628 8.466 0.162 1
1 702 . 1 1 1 A 65 65 ALA HA H 65 3.557 3.968 -0.411 1
1 706 . 1 1 1 A 65 65 ALA CA C 65 53.700 53.876 -0.176 1
1 707 . 1 1 1 A 65 65 ALA CB C 65 18.660 18.271 0.389 1
1 708 . 1 1 1 A 65 65 ALA N N 65 123.214 125.050 -1.836 1
1 709 . 1 1 1 A 66 66 GLY H H 66 7.505 8.926 -1.421 1
1 710 . 1 1 1 A 66 66 GLY HA2 H 66 4.020 3.892 0.128 1
1 711 . 1 1 1 A 66 66 GLY HA3 H 66 4.020 3.893 0.127 1
1 712 . 1 1 1 A 66 66 GLY CA C 66 46.864 45.492 1.372 1
1 713 . 1 1 1 A 66 66 GLY N N 66 112.913 111.648 1.265 1
1 714 . 1 1 1 A 67 67 GLN H H 67 8.136 7.859 0.277 1
1 715 . 1 1 1 A 67 67 GLN HA H 67 4.436 4.444 -0.008 1
1 722 . 1 1 1 A 67 67 GLN CA C 67 55.029 55.077 -0.048 1
1 723 . 1 1 1 A 67 67 GLN CB C 67 29.700 29.693 0.007 1
1 725 . 1 1 1 A 67 67 GLN N N 67 118.759 121.348 -2.589 1
1 727 . 1 1 1 A 68 68 THR H H 68 8.066 8.591 -0.525 1
1 728 . 1 1 1 A 68 68 THR HA H 68 5.414 5.154 0.260 1
1 733 . 1 1 1 A 68 68 THR CA C 68 60.050 60.195 -0.145 1
1 734 . 1 1 1 A 68 68 THR CB C 68 72.052 70.748 1.304 1
1 736 . 1 1 1 A 68 68 THR N N 68 111.842 116.241 -4.399 1
1 737 . 1 1 1 A 69 69 VAL H H 69 8.780 8.957 -0.177 1
1 738 . 1 1 1 A 69 69 VAL HA H 69 4.989 4.874 0.115 1
1 746 . 1 1 1 A 69 69 VAL CA C 69 59.265 60.331 -1.066 1
1 747 . 1 1 1 A 69 69 VAL CB C 69 33.600 34.711 -1.111 1
1 750 . 1 1 1 A 69 69 VAL N N 69 120.958 121.297 -0.339 1
1 751 . 1 1 1 A 70 70 THR H H 70 8.660 8.988 -0.328 1
1 752 . 1 1 1 A 70 70 THR HA H 70 4.618 5.038 -0.420 1
1 757 . 1 1 1 A 70 70 THR CA C 70 61.730 61.826 -0.096 1
1 758 . 1 1 1 A 70 70 THR CB C 70 69.550 69.878 -0.328 1
1 760 . 1 1 1 A 70 70 THR N N 70 125.533 123.931 1.602 1
1 761 . 1 1 1 A 71 71 ILE H H 71 8.994 9.375 -0.381 1
1 762 . 1 1 1 A 71 71 ILE HA H 71 4.369 5.115 -0.746 1
1 772 . 1 1 1 A 71 71 ILE CA C 71 59.162 60.264 -1.102 1
1 773 . 1 1 1 A 71 71 ILE CB C 71 36.826 37.911 -1.085 1
1 777 . 1 1 1 A 71 71 ILE N N 71 127.838 127.580 0.258 1
1 778 . 1 1 1 A 72 72 TRP H H 72 9.270 9.268 0.002 1
1 779 . 1 1 1 A 72 72 TRP HA H 72 5.167 5.115 0.052 1
1 788 . 1 1 1 A 72 72 TRP CA C 72 56.180 57.070 -0.890 1
1 789 . 1 1 1 A 72 72 TRP CB C 72 31.490 30.013 1.477 1
1 795 . 1 1 1 A 72 72 TRP N N 72 127.112 129.967 -2.855 1
1 797 . 1 1 1 A 73 73 ALA H H 73 9.010 9.001 0.009 1
1 798 . 1 1 1 A 73 73 ALA HA H 73 4.617 4.554 0.063 1
1 802 . 1 1 1 A 73 73 ALA CA C 73 52.110 51.228 0.882 1
1 803 . 1 1 1 A 73 73 ALA CB C 73 19.070 17.484 1.586 1
1 804 . 1 1 1 A 73 73 ALA N N 73 122.140 128.399 -6.259 1
1 805 . 1 1 1 A 74 74 ALA H H 74 9.002 8.814 0.188 1
1 806 . 1 1 1 A 74 74 ALA HA H 74 4.042 3.910 0.132 1
1 810 . 1 1 1 A 74 74 ALA CA C 74 54.650 55.008 -0.358 1
1 811 . 1 1 1 A 74 74 ALA CB C 74 18.070 17.874 0.196 1
1 812 . 1 1 1 A 74 74 ALA N N 74 123.213 122.266 0.947 1
1 813 . 1 1 1 A 75 75 ASN H H 75 8.162 8.819 -0.657 1
1 814 . 1 1 1 A 75 75 ASN HA H 75 5.015 4.992 0.023 1
1 819 . 1 1 1 A 75 75 ASN CA C 75 51.650 52.588 -0.938 1
1 820 . 1 1 1 A 75 75 ASN CB C 75 36.590 37.083 -0.493 1
1 821 . 1 1 1 A 75 75 ASN N N 75 112.259 116.913 -4.654 1
1 823 . 1 1 1 A 76 76 ALA H H 76 7.605 8.210 -0.605 1
1 824 . 1 1 1 A 76 76 ALA HA H 76 4.281 4.631 -0.350 1
1 828 . 1 1 1 A 76 76 ALA CA C 76 53.203 52.457 0.746 1
1 829 . 1 1 1 A 76 76 ALA CB C 76 20.210 21.726 -1.516 1
1 830 . 1 1 1 A 76 76 ALA N N 76 120.777 124.650 -3.873 1
1 831 . 1 1 1 A 77 77 GLY H H 77 8.449 8.146 0.303 1
1 832 . 1 1 1 A 77 77 GLY HA2 H 77 3.960 3.870 0.090 1
1 833 . 1 1 1 A 77 77 GLY HA3 H 77 3.537 3.898 -0.361 1
1 834 . 1 1 1 A 77 77 GLY CA C 77 45.410 44.950 0.460 1
1 835 . 1 1 1 A 77 77 GLY N N 77 107.064 108.235 -1.171 1
1 836 . 1 1 1 A 78 78 VAL H H 78 7.286 7.166 0.120 1
1 837 . 1 1 1 A 78 78 VAL HA H 78 3.804 3.872 -0.068 1
1 845 . 1 1 1 A 78 78 VAL CA C 78 60.736 61.994 -1.258 1
1 846 . 1 1 1 A 78 78 VAL CB C 78 33.590 32.010 1.580 1
1 849 . 1 1 1 A 78 78 VAL N N 78 120.566 120.383 0.183 1
1 850 . 1 1 1 A 79 79 THR H H 79 8.148 8.220 -0.072 1
1 851 . 1 1 1 A 79 79 THR HA H 79 4.145 4.065 0.080 1
1 856 . 1 1 1 A 79 79 THR CA C 79 61.395 64.049 -2.654 1
1 857 . 1 1 1 A 79 79 THR CB C 79 69.620 69.245 0.375 1
1 859 . 1 1 1 A 79 79 THR N N 79 121.617 119.605 2.012 1
1 860 . 1 1 1 A 80 80 ALA H H 80 8.593 8.463 0.130 1
1 861 . 1 1 1 A 80 80 ALA HA H 80 3.703 4.048 -0.345 1
1 865 . 1 1 1 A 80 80 ALA CA C 80 53.410 53.506 -0.096 1
1 866 . 1 1 1 A 80 80 ALA CB C 80 19.180 18.420 0.760 1
1 867 . 1 1 1 A 80 80 ALA N N 80 126.311 129.147 -2.836 1
1 868 . 1 1 1 A 81 81 SER H H 81 9.101 8.765 0.336 1
1 869 . 1 1 1 A 81 81 SER HA H 81 4.747 4.124 0.623 1
1 872 . 1 1 1 A 81 81 SER CA C 81 55.046 58.613 -3.567 1
1 873 . 1 1 1 A 81 81 SER CB C 81 62.680 61.330 1.350 1
1 874 . 1 1 1 A 81 81 SER N N 81 114.816 115.401 -0.585 1
1 875 . 1 1 1 A 82 82 PRO HA H 82 4.328 4.575 -0.247 1
1 882 . 1 1 1 A 82 82 PRO CA C 82 62.158 62.121 0.037 1
1 883 . 1 1 1 A 82 82 PRO CB C 82 30.480 32.476 -1.996 1
1 886 . 1 1 1 A 83 83 PRO HA H 83 4.821 3.933 0.888 1
1 893 . 1 1 1 A 83 83 PRO CA C 83 64.384 63.783 0.601 1
1 894 . 1 1 1 A 83 83 PRO CB C 83 34.750 30.012 4.738 1
1 897 . 1 1 1 A 84 84 THR H H 84 8.007 7.874 0.133 1
1 898 . 1 1 1 A 84 84 THR HA H 84 4.567 4.345 0.222 1
1 903 . 1 1 1 A 84 84 THR CA C 84 64.770 62.761 2.009 1
1 904 . 1 1 1 A 84 84 THR CB C 84 69.370 71.132 -1.762 1
1 906 . 1 1 1 A 84 84 THR N N 84 114.629 112.342 2.287 1
1 907 . 1 1 1 A 85 85 ASP H H 85 7.952 7.928 0.024 1
1 908 . 1 1 1 A 85 85 ASP HA H 85 5.950 5.249 0.701 1
1 911 . 1 1 1 A 85 85 ASP CA C 85 54.110 52.853 1.257 1
1 912 . 1 1 1 A 85 85 ASP CB C 85 43.510 45.017 -1.507 1
1 913 . 1 1 1 A 85 85 ASP N N 85 124.539 119.880 4.659 1
1 914 . 1 1 1 A 86 86 LEU H H 86 9.271 9.010 0.261 1
1 915 . 1 1 1 A 86 86 LEU HA H 86 4.953 4.955 -0.002 1
1 925 . 1 1 1 A 86 86 LEU CA C 86 52.230 53.527 -1.297 1
1 926 . 1 1 1 A 86 86 LEU CB C 86 44.070 46.399 -2.329 1
1 930 . 1 1 1 A 86 86 LEU N N 86 124.265 120.141 4.124 1
1 931 . 1 1 1 A 87 87 ILE H H 87 8.691 9.048 -0.357 1
1 932 . 1 1 1 A 87 87 ILE HA H 87 4.802 4.968 -0.166 1
1 942 . 1 1 1 A 87 87 ILE CA C 87 58.694 60.472 -1.778 1
1 943 . 1 1 1 A 87 87 ILE CB C 87 37.945 39.661 -1.716 1
1 947 . 1 1 1 A 87 87 ILE N N 87 119.475 122.789 -3.314 1
1 948 . 1 1 1 A 88 88 TRP H H 88 9.755 9.183 0.572 1
1 949 . 1 1 1 A 88 88 TRP HA H 88 4.918 4.111 0.807 1
1 958 . 1 1 1 A 88 88 TRP CA C 88 54.900 55.979 -1.079 1
1 959 . 1 1 1 A 88 88 TRP CB C 88 27.270 28.896 -1.626 1
1 965 . 1 1 1 A 88 88 TRP N N 88 132.610 129.541 3.069 1
1 967 . 1 1 1 A 89 89 LYS H H 89 8.282 8.345 -0.063 1
1 968 . 1 1 1 A 89 89 LYS HA H 89 3.996 4.497 -0.501 1
1 977 . 1 1 1 A 89 89 LYS CA C 89 58.847 56.965 1.882 1
1 978 . 1 1 1 A 89 89 LYS CB C 89 32.360 32.312 0.048 1
1 982 . 1 1 1 A 89 89 LYS N N 89 125.513 127.135 -1.622 1
1 983 . 1 1 1 A 90 90 ASN H H 90 8.810 8.302 0.508 1
1 984 . 1 1 1 A 90 90 ASN HA H 90 4.434 5.057 -0.623 1
1 989 . 1 1 1 A 90 90 ASN CA C 90 54.010 53.205 0.805 1
1 990 . 1 1 1 A 90 90 ASN CB C 90 37.770 40.767 -2.997 1
1 991 . 1 1 1 A 90 90 ASN N N 90 114.946 116.576 -1.630 1
1 993 . 1 1 1 A 91 91 GLN H H 91 7.546 6.992 0.554 1
1 994 . 1 1 1 A 91 91 GLN HA H 91 4.412 4.568 -0.156 1
1 1001 . 1 1 1 A 91 91 GLN CA C 91 53.520 55.048 -1.528 1
1 1002 . 1 1 1 A 91 91 GLN CB C 91 28.470 31.001 -2.531 1
1 1004 . 1 1 1 A 91 91 GLN N N 91 117.746 118.390 -0.644 1
1 1006 . 1 1 1 A 92 92 ASN H H 92 8.451 8.547 -0.096 1
1 1007 . 1 1 1 A 92 92 ASN HA H 92 4.876 4.904 -0.028 1
1 1012 . 1 1 1 A 92 92 ASN CA C 92 52.080 52.425 -0.345 1
1 1013 . 1 1 1 A 92 92 ASN CB C 92 39.400 39.673 -0.273 1
1 1014 . 1 1 1 A 92 92 ASN N N 92 123.697 125.223 -1.526 1
1 1016 . 1 1 1 A 93 93 SER H H 93 9.337 8.402 0.935 1
1 1017 . 1 1 1 A 93 93 SER HA H 93 3.977 4.142 -0.165 1
1 1020 . 1 1 1 A 93 93 SER CA C 93 58.940 58.411 0.529 1
1 1021 . 1 1 1 A 93 93 SER CB C 93 62.940 64.016 -1.076 1
1 1022 . 1 1 1 A 93 93 SER N N 93 117.010 115.894 1.116 1
1 1023 . 1 1 1 A 94 94 TRP H H 94 7.857 8.098 -0.241 1
1 1024 . 1 1 1 A 94 94 TRP HA H 94 4.905 4.735 0.170 1
1 1033 . 1 1 1 A 94 94 TRP CA C 94 56.770 58.338 -1.568 1
1 1034 . 1 1 1 A 94 94 TRP CB C 94 27.900 30.656 -2.756 1
1 1039 . 1 1 1 A 94 94 TRP N N 94 120.449 126.978 -6.529 1
1 1041 . 1 1 1 A 95 95 GLY H H 95 7.795 7.074 0.721 1
1 1042 . 1 1 1 A 95 95 GLY HA2 H 95 3.953 3.693 0.260 1
1 1043 . 1 1 1 A 95 95 GLY HA3 H 95 3.763 3.857 -0.094 1
1 1044 . 1 1 1 A 95 95 GLY CA C 95 45.487 45.596 -0.109 1
1 1045 . 1 1 1 A 95 95 GLY N N 95 109.481 109.193 0.288 1
1 1046 . 1 1 1 A 96 96 THR H H 96 8.028 8.141 -0.113 1
1 1047 . 1 1 1 A 96 96 THR HA H 96 4.696 4.620 0.076 1
1 1052 . 1 1 1 A 96 96 THR CA C 96 60.880 62.689 -1.809 1
1 1053 . 1 1 1 A 96 96 THR CB C 96 70.040 68.673 1.367 1
1 1055 . 1 1 1 A 96 96 THR N N 96 112.538 116.522 -3.984 1
1 1056 . 1 1 1 A 97 97 GLY H H 97 8.443 8.459 -0.016 1
1 1057 . 1 1 1 A 97 97 GLY HA2 H 97 3.482 3.897 -0.415 1
1 1058 . 1 1 1 A 97 97 GLY HA3 H 97 3.862 3.906 -0.044 1
1 1059 . 1 1 1 A 97 97 GLY CA C 97 45.945 47.334 -1.389 1
1 1060 . 1 1 1 A 97 97 GLY N N 97 111.464 110.275 1.189 1
1 1061 . 1 1 1 A 98 98 GLU H H 98 8.010 7.815 0.195 1
1 1062 . 1 1 1 A 98 98 GLU HA H 98 4.471 4.456 0.015 1
1 1067 . 1 1 1 A 98 98 GLU CA C 98 54.730 55.551 -0.821 1
1 1068 . 1 1 1 A 98 98 GLU CB C 98 30.719 30.296 0.423 1
1 1070 . 1 1 1 A 98 98 GLU N N 98 118.563 119.486 -0.923 1
1 1071 . 1 1 1 A 99 99 ASP H H 99 8.680 8.555 0.125 1
1 1072 . 1 1 1 A 99 99 ASP HA H 99 4.612 4.595 0.017 1
1 1075 . 1 1 1 A 99 99 ASP CA C 99 54.451 54.497 -0.046 1
1 1076 . 1 1 1 A 99 99 ASP CB C 99 39.540 39.945 -0.405 1
1 1077 . 1 1 1 A 99 99 ASP N N 99 122.219 123.869 -1.650 1
1 1078 . 1 1 1 A 100 100 VAL H H 100 8.215 8.011 0.204 1
1 1079 . 1 1 1 A 100 100 VAL HA H 100 4.495 4.122 0.373 1
1 1087 . 1 1 1 A 100 100 VAL CA C 100 60.920 62.455 -1.535 1
1 1088 . 1 1 1 A 100 100 VAL CB C 100 34.150 32.660 1.490 1
1 1091 . 1 1 1 A 100 100 VAL N N 100 123.901 126.046 -2.145 1
1 1092 . 1 1 1 A 101 101 LYS H H 101 8.600 8.881 -0.281 1
1 1093 . 1 1 1 A 101 101 LYS HA H 101 5.112 5.066 0.046 1
1 1102 . 1 1 1 A 101 101 LYS CA C 101 54.718 54.560 0.158 1
1 1103 . 1 1 1 A 101 101 LYS CB C 101 35.326 35.272 0.054 1
1 1107 . 1 1 1 A 101 101 LYS N N 101 126.635 128.800 -2.165 1
1 1108 . 1 1 1 A 102 102 VAL H H 102 9.209 9.390 -0.181 1
1 1109 . 1 1 1 A 102 102 VAL HA H 102 5.405 4.689 0.716 1
1 1117 . 1 1 1 A 102 102 VAL CA C 102 59.950 61.785 -1.835 1
1 1118 . 1 1 1 A 102 102 VAL CB C 102 34.420 32.915 1.505 1
1 1121 . 1 1 1 A 102 102 VAL N N 102 125.573 126.986 -1.413 1
1 1122 . 1 1 1 A 103 103 ILE H H 103 8.968 9.654 -0.686 1
1 1123 . 1 1 1 A 103 103 ILE HA H 103 4.671 4.809 -0.138 1
1 1133 . 1 1 1 A 103 103 ILE CA C 103 59.790 60.238 -0.448 1
1 1134 . 1 1 1 A 103 103 ILE CB C 103 42.522 38.859 3.663 1
1 1138 . 1 1 1 A 103 103 ILE N N 103 125.593 129.091 -3.498 1
1 1139 . 1 1 1 A 104 104 LEU H H 104 9.017 9.407 -0.390 1
1 1140 . 1 1 1 A 104 104 LEU HA H 104 5.361 4.992 0.369 1
1 1150 . 1 1 1 A 104 104 LEU CA C 104 52.800 54.210 -1.410 1
1 1151 . 1 1 1 A 104 104 LEU CB C 104 46.200 42.069 4.131 1
1 1155 . 1 1 1 A 104 104 LEU N N 104 127.791 128.945 -1.154 1
1 1156 . 1 1 1 A 105 105 LYS H H 105 9.674 8.494 1.180 1
1 1157 . 1 1 1 A 105 105 LYS HA H 105 5.194 4.572 0.622 1
1 1166 . 1 1 1 A 105 105 LYS CA C 105 53.780 54.132 -0.352 1
1 1167 . 1 1 1 A 105 105 LYS CB C 105 36.330 35.303 1.027 1
1 1171 . 1 1 1 A 105 105 LYS N N 105 126.536 124.416 2.120 1
1 1172 . 1 1 1 A 106 106 ASN H H 106 7.774 8.762 -0.988 1
1 1173 . 1 1 1 A 106 106 ASN HA H 106 2.714 2.885 -0.171 1
1 1178 . 1 1 1 A 106 106 ASN CA C 106 49.530 52.493 -2.963 1
1 1179 . 1 1 1 A 106 106 ASN CB C 106 36.940 39.123 -2.183 1
1 1180 . 1 1 1 A 106 106 ASN N N 106 116.550 120.617 -4.067 1
1 1182 . 1 1 1 A 107 107 SER H H 107 6.988 8.242 -1.254 1
1 1183 . 1 1 1 A 107 107 SER HA H 107 4.092 4.350 -0.258 1
1 1186 . 1 1 1 A 107 107 SER CA C 107 60.490 60.847 -0.357 1
1 1187 . 1 1 1 A 107 107 SER CB C 107 62.510 63.056 -0.546 1
1 1188 . 1 1 1 A 107 107 SER N N 107 112.400 114.959 -2.559 1
1 1189 . 1 1 1 A 108 108 GLN H H 108 7.414 7.565 -0.151 1
1 1190 . 1 1 1 A 108 108 GLN HA H 108 4.404 4.399 0.005 1
1 1197 . 1 1 1 A 108 108 GLN CA C 108 55.470 55.259 0.211 1
1 1198 . 1 1 1 A 108 108 GLN CB C 108 28.400 28.910 -0.510 1
1 1200 . 1 1 1 A 108 108 GLN N N 108 119.000 118.251 0.749 1
1 1202 . 1 1 1 A 109 109 GLY H H 109 7.835 8.138 -0.303 1
1 1203 . 1 1 1 A 109 109 GLY HA2 H 109 4.136 3.897 0.239 1
1 1204 . 1 1 1 A 109 109 GLY HA3 H 109 3.530 3.910 -0.380 1
1 1205 . 1 1 1 A 109 109 GLY CA C 109 45.549 44.930 0.619 1
1 1206 . 1 1 1 A 109 109 GLY N N 109 107.333 107.881 -0.548 1
1 1207 . 1 1 1 A 110 110 GLU H H 110 7.562 7.942 -0.380 1
1 1208 . 1 1 1 A 110 110 GLU HA H 110 4.209 4.304 -0.095 1
1 1213 . 1 1 1 A 110 110 GLU CA C 110 54.320 56.595 -2.275 1
1 1214 . 1 1 1 A 110 110 GLU CB C 110 29.760 30.023 -0.263 1
1 1216 . 1 1 1 A 110 110 GLU N N 110 120.137 120.347 -0.210 1
1 1217 . 1 1 1 A 111 111 GLU H H 111 8.799 8.410 0.389 1
1 1218 . 1 1 1 A 111 111 GLU HA H 111 4.194 4.791 -0.597 1
1 1223 . 1 1 1 A 111 111 GLU CA C 111 57.160 55.182 1.978 1
1 1224 . 1 1 1 A 111 111 GLU CB C 111 29.175 31.878 -2.703 1
1 1226 . 1 1 1 A 111 111 GLU N N 111 123.867 123.938 -0.071 1
1 1227 . 1 1 1 A 112 112 VAL H H 112 9.093 8.978 0.115 1
1 1228 . 1 1 1 A 112 112 VAL HA H 112 4.330 4.070 0.260 1
1 1236 . 1 1 1 A 112 112 VAL CA C 112 61.529 63.850 -2.321 1
1 1237 . 1 1 1 A 112 112 VAL CB C 112 33.230 32.408 0.822 1
1 1240 . 1 1 1 A 112 112 VAL N N 112 122.642 127.440 -4.798 1
1 1241 . 1 1 1 A 113 113 ALA H H 113 7.793 7.049 0.744 1
1 1242 . 1 1 1 A 113 113 ALA HA H 113 4.770 4.676 0.094 1
1 1246 . 1 1 1 A 113 113 ALA CA C 113 52.449 51.760 0.689 1
1 1247 . 1 1 1 A 113 113 ALA CB C 113 22.400 22.606 -0.206 1
1 1248 . 1 1 1 A 113 113 ALA N N 113 121.070 118.071 2.999 1
1 1249 . 1 1 1 A 114 114 GLN H H 114 8.450 8.897 -0.447 1
1 1250 . 1 1 1 A 114 114 GLN HA H 114 5.404 5.403 0.001 1
1 1257 . 1 1 1 A 114 114 GLN CA C 114 54.830 54.429 0.401 1
1 1258 . 1 1 1 A 114 114 GLN CB C 114 32.307 32.514 -0.207 1
1 1260 . 1 1 1 A 114 114 GLN N N 114 115.851 115.788 0.063 1
1 1262 . 1 1 1 A 115 115 ARG H H 115 8.989 8.736 0.253 1
1 1263 . 1 1 1 A 115 115 ARG HA H 115 4.555 5.021 -0.466 1
1 1270 . 1 1 1 A 115 115 ARG CA C 115 56.350 54.874 1.476 1
1 1271 . 1 1 1 A 115 115 ARG CB C 115 33.730 34.424 -0.694 1
1 1274 . 1 1 1 A 115 115 ARG N N 115 122.920 123.321 -0.401 1
1 1275 . 1 1 1 A 116 116 SER H H 116 8.511 8.825 -0.314 1
1 1276 . 1 1 1 A 116 116 SER HA H 116 5.756 5.214 0.542 1
1 1279 . 1 1 1 A 116 116 SER CA C 116 56.400 56.316 0.084 1
1 1280 . 1 1 1 A 116 116 SER CB C 116 65.770 66.284 -0.514 1
1 1281 . 1 1 1 A 116 116 SER N N 116 119.807 117.163 2.644 1
1 1282 . 1 1 1 A 117 117 THR H H 117 8.801 8.054 0.747 1
1 1283 . 1 1 1 A 117 117 THR HA H 117 4.378 4.571 -0.193 1
1 1288 . 1 1 1 A 117 117 THR CA C 117 62.160 61.629 0.531 1
1 1289 . 1 1 1 A 117 117 THR CB C 117 70.010 71.021 -1.011 1
1 1291 . 1 1 1 A 117 117 THR N N 117 116.435 112.512 3.923 1
1 1292 . 1 1 1 A 118 118 VAL H H 118 8.165 8.397 -0.232 1
1 1293 . 1 1 1 A 118 118 VAL HA H 118 4.227 4.600 -0.373 1
1 1301 . 1 1 1 A 118 118 VAL CA C 118 61.320 60.802 0.518 1
1 1302 . 1 1 1 A 118 118 VAL CB C 118 32.931 34.481 -1.550 1
1 1305 . 1 1 1 A 118 118 VAL N N 118 122.111 119.825 2.286 1
1 1306 . 1 1 1 A 119 119 PHE H H 119 8.580 8.904 -0.324 1
1 1307 . 1 1 1 A 119 119 PHE HA H 119 4.655 4.711 -0.056 1
1 1314 . 1 1 1 A 119 119 PHE CA C 119 57.520 58.212 -0.692 1
1 1315 . 1 1 1 A 119 119 PHE CB C 119 39.550 38.456 1.094 1
1 1320 . 1 1 1 A 119 119 PHE N N 119 126.006 126.402 -0.396 1
1 1321 . 1 1 1 A 120 120 LYS H H 120 8.346 8.277 0.069 1
1 1322 . 1 1 1 A 120 120 LYS HA H 120 4.432 4.877 -0.445 1
1 1331 . 1 1 1 A 120 120 LYS CA C 120 55.740 54.812 0.928 1
1 1332 . 1 1 1 A 120 120 LYS CB C 120 33.290 36.495 -3.205 1
1 1336 . 1 1 1 A 120 120 LYS N N 120 124.095 125.028 -0.933 1
1 1337 . 1 1 1 A 121 121 THR H H 121 8.294 8.676 -0.382 1
1 1338 . 1 1 1 A 121 121 THR HA H 121 4.394 4.541 -0.147 1
1 1343 . 1 1 1 A 121 121 THR CA C 121 61.610 61.317 0.293 1
1 1344 . 1 1 1 A 121 121 THR CB C 121 69.640 70.685 -1.045 1
1 1346 . 1 1 1 A 121 121 THR N N 121 116.359 115.530 0.829 1
1 1 . 2 1 1 A 3 3 HIS H H 3 8.528 8.284 0.244 1
1 2 . 2 1 1 A 3 3 HIS HA H 3 4.626 4.166 0.460 1
1 5 . 2 1 1 A 3 3 HIS CA C 3 55.260 57.163 -1.903 1
1 6 . 2 1 1 A 3 3 HIS CB C 3 29.250 28.262 0.988 1
1 7 . 2 1 1 A 3 3 HIS N N 3 118.990 120.453 -1.463 1
1 8 . 2 1 1 A 4 4 HIS H H 4 8.528 6.997 1.531 1
1 9 . 2 1 1 A 4 4 HIS HA H 4 4.624 4.195 0.429 1
1 12 . 2 1 1 A 4 4 HIS CA C 4 55.277 55.921 -0.644 1
1 13 . 2 1 1 A 4 4 HIS CB C 4 29.002 30.017 -1.015 1
1 14 . 2 1 1 A 4 4 HIS N N 4 118.990 119.148 -0.158 1
1 15 . 2 1 1 A 5 5 HIS H H 5 8.579 8.705 -0.126 1
1 16 . 2 1 1 A 5 5 HIS HA H 5 4.737 5.060 -0.323 1
1 19 . 2 1 1 A 5 5 HIS CA C 5 55.330 54.300 1.030 1
1 20 . 2 1 1 A 5 5 HIS CB C 5 29.257 31.240 -1.983 1
1 21 . 2 1 1 A 5 5 HIS N N 5 119.720 122.566 -2.846 1
1 22 . 2 1 1 A 6 6 HIS H H 6 8.603 8.897 -0.294 1
1 23 . 2 1 1 A 6 6 HIS HA H 6 4.674 4.637 0.037 1
1 26 . 2 1 1 A 6 6 HIS CA C 6 55.150 55.422 -0.272 1
1 27 . 2 1 1 A 6 6 HIS CB C 6 27.340 30.118 -2.778 1
1 28 . 2 1 1 A 6 6 HIS N N 6 121.420 123.716 -2.296 1
1 29 . 2 1 1 A 7 7 HIS H H 7 8.706 8.659 0.047 1
1 30 . 2 1 1 A 7 7 HIS HA H 7 4.658 4.768 -0.110 1
1 33 . 2 1 1 A 7 7 HIS CA C 7 55.100 53.926 1.174 1
1 34 . 2 1 1 A 7 7 HIS CB C 7 29.300 31.162 -1.862 1
1 35 . 2 1 1 A 7 7 HIS N N 7 121.200 125.635 -4.435 1
1 36 . 2 1 1 A 8 8 HIS H H 8 8.706 8.408 0.298 1
1 37 . 2 1 1 A 8 8 HIS HA H 8 4.706 4.247 0.459 1
1 40 . 2 1 1 A 8 8 HIS CA C 8 55.156 55.620 -0.464 1
1 41 . 2 1 1 A 8 8 HIS CB C 8 29.396 28.951 0.445 1
1 42 . 2 1 1 A 8 8 HIS N N 8 121.200 122.037 -0.837 1
1 43 . 2 1 1 A 9 9 SER H H 9 8.551 8.261 0.290 1
1 44 . 2 1 1 A 9 9 SER HA H 9 4.450 4.708 -0.258 1
1 47 . 2 1 1 A 9 9 SER CA C 9 58.200 56.634 1.566 1
1 48 . 2 1 1 A 9 9 SER CB C 9 63.740 66.518 -2.778 1
1 49 . 2 1 1 A 9 9 SER N N 9 118.046 117.096 0.950 1
1 50 . 2 1 1 A 10 10 HIS H H 10 8.770 8.653 0.117 1
1 51 . 2 1 1 A 10 10 HIS HA H 10 4.726 5.184 -0.458 1
1 54 . 2 1 1 A 10 10 HIS CA C 10 55.640 55.226 0.414 1
1 55 . 2 1 1 A 10 10 HIS CB C 10 29.172 31.424 -2.252 1
1 56 . 2 1 1 A 10 10 HIS N N 10 120.412 118.236 2.176 1
1 57 . 2 1 1 A 11 11 MET H H 11 8.528 8.760 -0.232 1
1 58 . 2 1 1 A 11 11 MET HA H 11 4.658 4.635 0.023 1
1 66 . 2 1 1 A 11 11 MET CA C 11 55.438 53.978 1.460 1
1 67 . 2 1 1 A 11 11 MET CB C 11 33.090 32.632 0.458 1
1 70 . 2 1 1 A 11 11 MET N N 11 122.400 123.395 -0.995 1
1 71 . 2 1 1 A 12 12 THR H H 12 8.339 8.714 -0.375 1
1 72 . 2 1 1 A 12 12 THR HA H 12 4.450 4.422 0.028 1
1 77 . 2 1 1 A 12 12 THR CA C 12 61.810 62.404 -0.594 1
1 78 . 2 1 1 A 12 12 THR CB C 12 70.450 69.006 1.444 1
1 80 . 2 1 1 A 12 12 THR N N 12 115.700 115.612 0.088 1
1 81 . 2 1 1 A 13 13 GLY H H 13 8.426 8.284 0.142 1
1 82 . 2 1 1 A 13 13 GLY HA2 H 13 4.287 3.935 0.352 1
1 83 . 2 1 1 A 13 13 GLY HA3 H 13 3.877 4.007 -0.130 1
1 84 . 2 1 1 A 13 13 GLY CA C 13 45.243 46.763 -1.520 1
1 85 . 2 1 1 A 13 13 GLY N N 13 110.872 110.790 0.082 1
1 86 . 2 1 1 A 14 14 ASN H H 14 8.374 8.307 0.067 1
1 87 . 2 1 1 A 14 14 ASN HA H 14 4.720 4.740 -0.020 1
1 92 . 2 1 1 A 14 14 ASN CA C 14 54.200 52.552 1.648 1
1 93 . 2 1 1 A 14 14 ASN CB C 14 39.210 36.706 2.504 1
1 94 . 2 1 1 A 14 14 ASN N N 14 117.789 123.626 -5.837 1
1 96 . 2 1 1 A 15 15 VAL H H 15 7.890 8.217 -0.327 1
1 97 . 2 1 1 A 15 15 VAL HA H 15 4.843 4.629 0.214 1
1 105 . 2 1 1 A 15 15 VAL CA C 15 61.759 61.476 0.283 1
1 106 . 2 1 1 A 15 15 VAL CB C 15 33.230 32.012 1.218 1
1 109 . 2 1 1 A 15 15 VAL N N 15 118.720 124.199 -5.479 1
1 110 . 2 1 1 A 16 16 CYS H H 16 9.060 9.229 -0.169 1
1 111 . 2 1 1 A 16 16 CYS HA H 16 4.899 4.747 0.152 1
1 114 . 2 1 1 A 16 16 CYS CA C 16 54.620 57.190 -2.570 1
1 115 . 2 1 1 A 16 16 CYS CB C 16 30.900 30.490 0.410 1
1 116 . 2 1 1 A 16 16 CYS N N 16 122.674 126.988 -4.314 1
1 117 . 2 1 1 A 17 17 ILE H H 17 8.845 8.771 0.074 1
1 118 . 2 1 1 A 17 17 ILE HA H 17 4.153 4.178 -0.025 1
1 128 . 2 1 1 A 17 17 ILE CA C 17 61.080 61.235 -0.155 1
1 129 . 2 1 1 A 17 17 ILE CB C 17 36.397 37.156 -0.759 1
1 133 . 2 1 1 A 17 17 ILE N N 17 122.609 124.272 -1.663 1
1 134 . 2 1 1 A 18 18 GLU H H 18 8.917 9.087 -0.170 1
1 135 . 2 1 1 A 18 18 GLU HA H 18 4.230 4.215 0.015 1
1 140 . 2 1 1 A 18 18 GLU CA C 18 57.160 58.484 -1.324 1
1 141 . 2 1 1 A 18 18 GLU CB C 18 30.550 30.770 -0.220 1
1 143 . 2 1 1 A 18 18 GLU N N 18 130.894 129.934 0.960 1
1 144 . 2 1 1 A 19 19 GLU H H 19 7.853 7.595 0.258 1
1 145 . 2 1 1 A 19 19 GLU HA H 19 4.470 4.742 -0.272 1
1 150 . 2 1 1 A 19 19 GLU CA C 19 56.110 55.956 0.154 1
1 151 . 2 1 1 A 19 19 GLU CB C 19 33.847 33.374 0.473 1
1 153 . 2 1 1 A 19 19 GLU N N 19 115.069 117.937 -2.868 1
1 154 . 2 1 1 A 20 20 ILE H H 20 8.744 8.800 -0.056 1
1 155 . 2 1 1 A 20 20 ILE HA H 20 4.080 4.727 -0.647 1
1 165 . 2 1 1 A 20 20 ILE CA C 20 60.619 60.013 0.606 1
1 166 . 2 1 1 A 20 20 ILE CB C 20 39.170 40.605 -1.435 1
1 170 . 2 1 1 A 20 20 ILE N N 20 127.309 124.994 2.315 1
1 171 . 2 1 1 A 21 21 ASP H H 21 7.468 8.513 -1.045 1
1 172 . 2 1 1 A 21 21 ASP HA H 21 3.949 4.340 -0.391 1
1 175 . 2 1 1 A 21 21 ASP CA C 21 54.970 54.293 0.677 1
1 176 . 2 1 1 A 21 21 ASP CB C 21 42.170 41.522 0.648 1
1 177 . 2 1 1 A 21 21 ASP N N 21 124.858 127.477 -2.619 1
1 178 . 2 1 1 A 22 22 VAL H H 22 8.650 8.708 -0.058 1
1 179 . 2 1 1 A 22 22 VAL HA H 22 3.998 4.109 -0.111 1
1 187 . 2 1 1 A 22 22 VAL CA C 22 64.445 63.684 0.761 1
1 188 . 2 1 1 A 22 22 VAL CB C 22 31.244 32.511 -1.267 1
1 191 . 2 1 1 A 22 22 VAL N N 22 130.172 125.398 4.774 1
1 192 . 2 1 1 A 23 23 ASP H H 23 7.482 7.792 -0.310 1
1 193 . 2 1 1 A 23 23 ASP HA H 23 4.711 4.457 0.254 1
1 196 . 2 1 1 A 23 23 ASP CA C 23 53.920 54.773 -0.853 1
1 197 . 2 1 1 A 23 23 ASP CB C 23 40.100 41.121 -1.021 1
1 198 . 2 1 1 A 23 23 ASP N N 23 118.547 120.480 -1.933 1
1 199 . 2 1 1 A 24 24 GLY H H 24 7.220 7.399 -0.179 1
1 200 . 2 1 1 A 24 24 GLY HA2 H 24 2.950 2.526 0.424 1
1 201 . 2 1 1 A 24 24 GLY HA3 H 24 2.407 3.396 -0.989 1
1 202 . 2 1 1 A 24 24 GLY CA C 24 45.040 44.197 0.843 1
1 203 . 2 1 1 A 24 24 GLY N N 24 105.293 106.769 -1.476 1
1 204 . 2 1 1 A 25 25 LYS H H 25 8.757 7.785 0.972 1
1 205 . 2 1 1 A 25 25 LYS HA H 25 3.964 4.128 -0.164 1
1 214 . 2 1 1 A 25 25 LYS CA C 25 56.590 56.939 -0.349 1
1 215 . 2 1 1 A 25 25 LYS CB C 25 33.660 34.968 -1.308 1
1 219 . 2 1 1 A 25 25 LYS N N 25 111.753 117.292 -5.539 1
1 220 . 2 1 1 A 26 26 PHE H H 26 6.380 7.842 -1.462 1
1 221 . 2 1 1 A 26 26 PHE HA H 26 5.753 5.742 0.011 1
1 229 . 2 1 1 A 26 26 PHE CA C 26 56.370 55.022 1.348 1
1 230 . 2 1 1 A 26 26 PHE CB C 26 40.030 42.014 -1.984 1
1 236 . 2 1 1 A 26 26 PHE N N 26 110.097 114.436 -4.339 1
1 237 . 2 1 1 A 27 27 ILE H H 27 8.601 9.401 -0.800 1
1 238 . 2 1 1 A 27 27 ILE HA H 27 4.506 4.730 -0.224 1
1 248 . 2 1 1 A 27 27 ILE CA C 27 60.905 60.675 0.230 1
1 249 . 2 1 1 A 27 27 ILE CB C 27 43.249 40.003 3.246 1
1 253 . 2 1 1 A 27 27 ILE N N 27 119.676 120.770 -1.094 1
1 254 . 2 1 1 A 28 28 ARG H H 28 9.290 9.211 0.079 1
1 255 . 2 1 1 A 28 28 ARG HA H 28 5.561 4.894 0.667 1
1 262 . 2 1 1 A 28 28 ARG CA C 28 54.650 55.542 -0.892 1
1 263 . 2 1 1 A 28 28 ARG CB C 28 34.180 31.561 2.619 1
1 266 . 2 1 1 A 28 28 ARG N N 28 127.516 129.098 -1.582 1
1 267 . 2 1 1 A 29 29 LEU H H 29 9.502 9.177 0.325 1
1 268 . 2 1 1 A 29 29 LEU HA H 29 5.306 4.874 0.432 1
1 278 . 2 1 1 A 29 29 LEU CA C 29 54.010 53.465 0.545 1
1 279 . 2 1 1 A 29 29 LEU CB C 29 44.020 43.440 0.580 1
1 283 . 2 1 1 A 29 29 LEU N N 29 126.696 128.572 -1.876 1
1 284 . 2 1 1 A 30 30 LYS H H 30 8.641 8.735 -0.094 1
1 285 . 2 1 1 A 30 30 LYS HA H 30 5.108 4.943 0.165 1
1 294 . 2 1 1 A 30 30 LYS CA C 30 54.660 55.872 -1.212 1
1 295 . 2 1 1 A 30 30 LYS CB C 30 38.070 35.889 2.181 1
1 299 . 2 1 1 A 30 30 LYS N N 30 118.761 120.653 -1.892 1
1 300 . 2 1 1 A 31 31 ASN H H 31 8.397 8.723 -0.326 1
1 301 . 2 1 1 A 31 31 ASN HA H 31 5.319 4.928 0.391 1
1 306 . 2 1 1 A 31 31 ASN CA C 31 50.690 52.630 -1.940 1
1 307 . 2 1 1 A 31 31 ASN CB C 31 37.490 38.189 -0.699 1
1 308 . 2 1 1 A 31 31 ASN N N 31 123.996 124.904 -0.908 1
1 310 . 2 1 1 A 32 32 THR H H 32 8.455 8.380 0.075 1
1 311 . 2 1 1 A 32 32 THR HA H 32 4.302 4.648 -0.346 1
1 316 . 2 1 1 A 32 32 THR CA C 32 61.492 61.392 0.100 1
1 317 . 2 1 1 A 32 32 THR CB C 32 68.110 68.347 -0.237 1
1 319 . 2 1 1 A 32 32 THR N N 32 115.755 118.645 -2.890 1
1 320 . 2 1 1 A 33 33 SER H H 33 8.487 7.984 0.503 1
1 321 . 2 1 1 A 33 33 SER HA H 33 4.793 4.681 0.112 1
1 324 . 2 1 1 A 33 33 SER CA C 33 57.500 57.173 0.327 1
1 325 . 2 1 1 A 33 33 SER CB C 33 66.510 65.611 0.899 1
1 326 . 2 1 1 A 33 33 SER N N 33 120.037 119.223 0.814 1
1 327 . 2 1 1 A 34 34 GLU H H 34 8.355 8.665 -0.310 1
1 328 . 2 1 1 A 34 34 GLU HA H 34 4.335 4.540 -0.205 1
1 333 . 2 1 1 A 34 34 GLU CA C 34 55.840 56.561 -0.721 1
1 334 . 2 1 1 A 34 34 GLU CB C 34 28.930 30.410 -1.480 1
1 336 . 2 1 1 A 34 34 GLU N N 34 116.545 117.609 -1.064 1
1 337 . 2 1 1 A 35 35 GLN H H 35 8.634 7.551 1.083 1
1 338 . 2 1 1 A 35 35 GLN HA H 35 4.664 4.792 -0.128 1
1 345 . 2 1 1 A 35 35 GLN CA C 35 53.740 54.715 -0.975 1
1 346 . 2 1 1 A 35 35 GLN CB C 35 31.696 32.794 -1.098 1
1 348 . 2 1 1 A 35 35 GLN N N 35 120.013 120.192 -0.179 1
1 350 . 2 1 1 A 36 36 ASP H H 36 8.859 8.702 0.157 1
1 351 . 2 1 1 A 36 36 ASP HA H 36 4.050 4.625 -0.575 1
1 354 . 2 1 1 A 36 36 ASP CA C 36 54.640 54.709 -0.069 1
1 355 . 2 1 1 A 36 36 ASP CB C 36 40.120 40.684 -0.564 1
1 356 . 2 1 1 A 36 36 ASP N N 36 124.552 123.678 0.874 1
1 357 . 2 1 1 A 37 37 GLN H H 37 8.141 8.747 -0.606 1
1 358 . 2 1 1 A 37 37 GLN HA H 37 4.786 4.797 -0.011 1
1 365 . 2 1 1 A 37 37 GLN CA C 37 50.858 52.491 -1.633 1
1 366 . 2 1 1 A 37 37 GLN CB C 37 31.860 29.994 1.866 1
1 368 . 2 1 1 A 37 37 GLN N N 37 120.015 122.668 -2.653 1
1 370 . 2 1 1 A 38 38 PRO HA H 38 4.367 4.611 -0.244 1
1 377 . 2 1 1 A 38 38 PRO CA C 38 63.330 62.681 0.649 1
1 378 . 2 1 1 A 38 38 PRO CB C 38 31.750 32.655 -0.905 1
1 381 . 2 1 1 A 39 39 MET H H 39 8.392 8.241 0.151 1
1 382 . 2 1 1 A 39 39 MET HA H 39 2.792 4.216 -1.424 1
1 390 . 2 1 1 A 39 39 MET CA C 39 53.780 57.846 -4.066 1
1 391 . 2 1 1 A 39 39 MET CB C 39 34.410 33.088 1.322 1
1 394 . 2 1 1 A 39 39 MET N N 39 124.427 121.076 3.351 1
1 395 . 2 1 1 A 40 40 GLY H H 40 7.940 7.736 0.204 1
1 396 . 2 1 1 A 40 40 GLY HA2 H 40 4.154 3.783 0.371 1
1 397 . 2 1 1 A 40 40 GLY HA3 H 40 3.763 3.874 -0.111 1
1 398 . 2 1 1 A 40 40 GLY CA C 40 48.114 44.126 3.988 1
1 399 . 2 1 1 A 40 40 GLY N N 40 108.664 105.908 2.756 1
1 400 . 2 1 1 A 41 41 GLY H H 41 7.959 8.301 -0.342 1
1 401 . 2 1 1 A 41 41 GLY HA2 H 41 4.323 3.777 0.546 1
1 402 . 2 1 1 A 41 41 GLY HA3 H 41 3.769 3.833 -0.064 1
1 403 . 2 1 1 A 41 41 GLY CA C 41 46.020 46.655 -0.635 1
1 404 . 2 1 1 A 41 41 GLY N N 41 114.027 108.341 5.686 1
1 405 . 2 1 1 A 42 42 TRP H H 42 8.667 8.164 0.503 1
1 406 . 2 1 1 A 42 42 TRP HA H 42 4.408 4.737 -0.329 1
1 415 . 2 1 1 A 42 42 TRP CA C 42 58.925 57.529 1.396 1
1 416 . 2 1 1 A 42 42 TRP CB C 42 28.120 30.353 -2.233 1
1 422 . 2 1 1 A 42 42 TRP N N 42 122.097 123.191 -1.094 1
1 424 . 2 1 1 A 43 43 GLU H H 43 8.740 9.155 -0.415 1
1 425 . 2 1 1 A 43 43 GLU HA H 43 5.462 5.345 0.117 1
1 430 . 2 1 1 A 43 43 GLU CA C 43 54.410 55.156 -0.746 1
1 431 . 2 1 1 A 43 43 GLU CB C 43 33.980 33.548 0.432 1
1 433 . 2 1 1 A 43 43 GLU N N 43 120.300 121.536 -1.236 1
1 434 . 2 1 1 A 44 44 MET H H 44 9.658 9.381 0.277 1
1 435 . 2 1 1 A 44 44 MET HA H 44 5.488 5.240 0.248 1
1 443 . 2 1 1 A 44 44 MET CA C 44 53.360 54.281 -0.921 1
1 444 . 2 1 1 A 44 44 MET CB C 44 37.490 33.512 3.978 1
1 447 . 2 1 1 A 44 44 MET N N 44 126.477 127.057 -0.580 1
1 448 . 2 1 1 A 45 45 ILE H H 45 9.658 9.232 0.426 1
1 449 . 2 1 1 A 45 45 ILE HA H 45 4.781 4.582 0.199 1
1 459 . 2 1 1 A 45 45 ILE CA C 45 60.413 60.647 -0.234 1
1 460 . 2 1 1 A 45 45 ILE CB C 45 40.804 38.531 2.273 1
1 464 . 2 1 1 A 45 45 ILE N N 45 127.329 127.104 0.225 1
1 465 . 2 1 1 A 46 46 ARG H H 46 9.217 9.037 0.180 1
1 466 . 2 1 1 A 46 46 ARG HA H 46 5.083 4.575 0.508 1
1 474 . 2 1 1 A 46 46 ARG CA C 46 53.760 55.698 -1.938 1
1 475 . 2 1 1 A 46 46 ARG CB C 46 33.559 30.962 2.597 1
1 478 . 2 1 1 A 46 46 ARG N N 46 126.837 128.333 -1.496 1
1 480 . 2 1 1 A 47 47 LYS H H 47 9.876 8.711 1.165 1
1 481 . 2 1 1 A 47 47 LYS HA H 47 5.257 4.727 0.530 1
1 490 . 2 1 1 A 47 47 LYS CA C 47 55.260 55.597 -0.337 1
1 491 . 2 1 1 A 47 47 LYS CB C 47 34.860 34.135 0.725 1
1 495 . 2 1 1 A 47 47 LYS N N 47 132.271 127.180 5.091 1
1 496 . 2 1 1 A 48 48 ILE H H 48 7.909 8.615 -0.706 1
1 497 . 2 1 1 A 48 48 ILE HA H 48 4.360 4.364 -0.004 1
1 507 . 2 1 1 A 48 48 ILE CA C 48 61.132 60.234 0.898 1
1 508 . 2 1 1 A 48 48 ILE CB C 48 40.316 39.754 0.562 1
1 512 . 2 1 1 A 48 48 ILE N N 48 125.793 123.672 2.121 1
1 513 . 2 1 1 A 49 49 GLY H H 49 9.576 8.079 1.497 1
1 514 . 2 1 1 A 49 49 GLY HA2 H 49 4.021 4.007 0.014 1
1 515 . 2 1 1 A 49 49 GLY HA3 H 49 3.730 4.009 -0.279 1
1 516 . 2 1 1 A 49 49 GLY CA C 49 46.910 45.668 1.242 1
1 517 . 2 1 1 A 49 49 GLY N N 49 120.665 110.114 10.551 1
1 518 . 2 1 1 A 50 50 ASP H H 50 8.935 8.363 0.572 1
1 519 . 2 1 1 A 50 50 ASP HA H 50 4.777 4.522 0.255 1
1 522 . 2 1 1 A 50 50 ASP CA C 50 54.000 56.343 -2.343 1
1 523 . 2 1 1 A 50 50 ASP CB C 50 40.520 40.865 -0.345 1
1 524 . 2 1 1 A 50 50 ASP N N 50 126.343 119.951 6.392 1
1 525 . 2 1 1 A 51 51 THR H H 51 8.253 8.019 0.234 1
1 526 . 2 1 1 A 51 51 THR HA H 51 4.638 4.630 0.008 1
1 531 . 2 1 1 A 51 51 THR CA C 51 61.690 60.223 1.467 1
1 532 . 2 1 1 A 51 51 THR CB C 51 71.080 70.486 0.594 1
1 534 . 2 1 1 A 51 51 THR N N 51 115.167 112.399 2.768 1
1 535 . 2 1 1 A 52 52 SER H H 52 8.710 8.736 -0.026 1
1 536 . 2 1 1 A 52 52 SER HA H 52 5.318 5.096 0.222 1
1 539 . 2 1 1 A 52 52 SER CA C 52 57.290 56.989 0.301 1
1 540 . 2 1 1 A 52 52 SER CB C 52 64.730 63.447 1.283 1
1 541 . 2 1 1 A 52 52 SER N N 52 121.442 119.102 2.340 1
1 542 . 2 1 1 A 53 53 VAL H H 53 8.448 7.171 1.277 1
1 543 . 2 1 1 A 53 53 VAL HA H 53 4.650 4.041 0.609 1
1 551 . 2 1 1 A 53 53 VAL CA C 53 60.449 63.151 -2.702 1
1 552 . 2 1 1 A 53 53 VAL CB C 53 35.105 32.615 2.490 1
1 555 . 2 1 1 A 53 53 VAL N N 53 121.387 122.986 -1.599 1
1 556 . 2 1 1 A 54 54 SER H H 54 8.761 8.671 0.090 1
1 557 . 2 1 1 A 54 54 SER HA H 54 5.760 5.867 -0.107 1
1 560 . 2 1 1 A 54 54 SER CA C 54 57.180 56.391 0.789 1
1 561 . 2 1 1 A 54 54 SER CB C 54 65.910 65.927 -0.017 1
1 562 . 2 1 1 A 54 54 SER N N 54 118.025 121.198 -3.173 1
1 563 . 2 1 1 A 55 55 TYR H H 55 9.340 8.671 0.669 1
1 564 . 2 1 1 A 55 55 TYR HA H 55 4.175 4.935 -0.760 1
1 571 . 2 1 1 A 55 55 TYR CA C 55 57.100 58.045 -0.945 1
1 572 . 2 1 1 A 55 55 TYR CB C 55 39.870 40.558 -0.688 1
1 577 . 2 1 1 A 55 55 TYR N N 55 128.024 121.533 6.491 1
1 578 . 2 1 1 A 56 56 LYS H H 56 7.551 8.284 -0.733 1
1 579 . 2 1 1 A 56 56 LYS HA H 56 4.890 4.496 0.394 1
1 588 . 2 1 1 A 56 56 LYS CA C 56 54.117 55.921 -1.804 1
1 589 . 2 1 1 A 56 56 LYS CB C 56 33.610 33.116 0.494 1
1 593 . 2 1 1 A 56 56 LYS N N 56 127.706 129.270 -1.564 1
1 594 . 2 1 1 A 57 57 TYR H H 57 8.247 8.827 -0.580 1
1 595 . 2 1 1 A 57 57 TYR HA H 57 3.996 4.202 -0.206 1
1 602 . 2 1 1 A 57 57 TYR CA C 57 59.032 58.937 0.095 1
1 603 . 2 1 1 A 57 57 TYR CB C 57 39.390 38.870 0.520 1
1 608 . 2 1 1 A 57 57 TYR N N 57 124.225 126.377 -2.152 1
1 609 . 2 1 1 A 58 58 THR H H 58 8.722 8.598 0.124 1
1 610 . 2 1 1 A 58 58 THR HA H 58 4.259 4.399 -0.140 1
1 615 . 2 1 1 A 58 58 THR CA C 58 62.250 60.604 1.646 1
1 616 . 2 1 1 A 58 58 THR CB C 58 69.280 67.939 1.341 1
1 618 . 2 1 1 A 58 58 THR N N 58 116.096 119.893 -3.797 1
1 619 . 2 1 1 A 59 59 SER H H 59 8.402 8.651 -0.249 1
1 620 . 2 1 1 A 59 59 SER HA H 59 4.050 4.260 -0.210 1
1 623 . 2 1 1 A 59 59 SER CA C 59 61.680 57.062 4.618 1
1 624 . 2 1 1 A 59 59 SER CB C 59 63.210 61.574 1.636 1
1 625 . 2 1 1 A 59 59 SER N N 59 114.556 124.093 -9.537 1
1 626 . 2 1 1 A 60 60 ARG H H 60 8.176 8.555 -0.379 1
1 627 . 2 1 1 A 60 60 ARG HA H 60 4.489 4.453 0.036 1
1 634 . 2 1 1 A 60 60 ARG CA C 60 54.960 56.287 -1.327 1
1 635 . 2 1 1 A 60 60 ARG CB C 60 29.846 30.592 -0.746 1
1 638 . 2 1 1 A 60 60 ARG N N 60 118.244 124.063 -5.819 1
1 639 . 2 1 1 A 61 61 TYR H H 61 7.617 7.301 0.316 1
1 640 . 2 1 1 A 61 61 TYR HA H 61 3.897 4.984 -1.087 1
1 647 . 2 1 1 A 61 61 TYR CA C 61 61.930 56.286 5.644 1
1 648 . 2 1 1 A 61 61 TYR CB C 61 38.670 39.919 -1.249 1
1 653 . 2 1 1 A 61 61 TYR N N 61 122.301 115.825 6.476 1
1 654 . 2 1 1 A 62 62 VAL H H 62 7.363 8.735 -1.372 1
1 655 . 2 1 1 A 62 62 VAL HA H 62 3.893 4.608 -0.715 1
1 663 . 2 1 1 A 62 62 VAL CA C 62 60.590 61.094 -0.504 1
1 664 . 2 1 1 A 62 62 VAL CB C 62 35.270 33.072 2.198 1
1 667 . 2 1 1 A 62 62 VAL N N 62 129.952 118.256 11.696 1
1 668 . 2 1 1 A 63 63 LEU H H 63 7.852 9.187 -1.335 1
1 669 . 2 1 1 A 63 63 LEU HA H 63 4.558 5.242 -0.684 1
1 679 . 2 1 1 A 63 63 LEU CA C 63 51.980 53.385 -1.405 1
1 680 . 2 1 1 A 63 63 LEU CB C 63 42.600 45.315 -2.715 1
1 684 . 2 1 1 A 63 63 LEU N N 63 128.635 126.729 1.906 1
1 685 . 2 1 1 A 64 64 LYS H H 64 8.770 8.425 0.345 1
1 686 . 2 1 1 A 64 64 LYS HA H 64 3.722 4.350 -0.628 1
1 695 . 2 1 1 A 64 64 LYS CA C 64 57.360 56.288 1.072 1
1 696 . 2 1 1 A 64 64 LYS CB C 64 32.381 33.375 -0.994 1
1 700 . 2 1 1 A 64 64 LYS N N 64 130.633 126.079 4.554 1
1 701 . 2 1 1 A 65 65 ALA H H 65 8.628 8.482 0.146 1
1 702 . 2 1 1 A 65 65 ALA HA H 65 3.557 3.962 -0.405 1
1 706 . 2 1 1 A 65 65 ALA CA C 65 53.700 53.967 -0.267 1
1 707 . 2 1 1 A 65 65 ALA CB C 65 18.660 18.327 0.333 1
1 708 . 2 1 1 A 65 65 ALA N N 65 123.214 125.161 -1.947 1
1 709 . 2 1 1 A 66 66 GLY H H 66 7.505 8.976 -1.471 1
1 710 . 2 1 1 A 66 66 GLY HA2 H 66 4.020 3.865 0.155 1
1 711 . 2 1 1 A 66 66 GLY HA3 H 66 4.020 3.870 0.150 1
1 712 . 2 1 1 A 66 66 GLY CA C 66 46.864 45.744 1.120 1
1 713 . 2 1 1 A 66 66 GLY N N 66 112.913 110.686 2.227 1
1 714 . 2 1 1 A 67 67 GLN H H 67 8.136 7.708 0.428 1
1 715 . 2 1 1 A 67 67 GLN HA H 67 4.436 4.336 0.100 1
1 722 . 2 1 1 A 67 67 GLN CA C 67 55.029 55.892 -0.863 1
1 723 . 2 1 1 A 67 67 GLN CB C 67 29.700 29.445 0.255 1
1 725 . 2 1 1 A 67 67 GLN N N 67 118.759 121.563 -2.804 1
1 727 . 2 1 1 A 68 68 THR H H 68 8.066 8.531 -0.465 1
1 728 . 2 1 1 A 68 68 THR HA H 68 5.414 5.040 0.374 1
1 733 . 2 1 1 A 68 68 THR CA C 68 60.050 61.129 -1.079 1
1 734 . 2 1 1 A 68 68 THR CB C 68 72.052 69.803 2.249 1
1 736 . 2 1 1 A 68 68 THR N N 68 111.842 117.465 -5.623 1
1 737 . 2 1 1 A 69 69 VAL H H 69 8.780 8.978 -0.198 1
1 738 . 2 1 1 A 69 69 VAL HA H 69 4.989 4.766 0.223 1
1 746 . 2 1 1 A 69 69 VAL CA C 69 59.265 61.000 -1.735 1
1 747 . 2 1 1 A 69 69 VAL CB C 69 33.600 32.655 0.945 1
1 750 . 2 1 1 A 69 69 VAL N N 69 120.958 127.337 -6.379 1
1 751 . 2 1 1 A 70 70 THR H H 70 8.660 9.123 -0.463 1
1 752 . 2 1 1 A 70 70 THR HA H 70 4.618 4.875 -0.257 1
1 757 . 2 1 1 A 70 70 THR CA C 70 61.730 61.855 -0.125 1
1 758 . 2 1 1 A 70 70 THR CB C 70 69.550 69.992 -0.442 1
1 760 . 2 1 1 A 70 70 THR N N 70 125.533 125.898 -0.365 1
1 761 . 2 1 1 A 71 71 ILE H H 71 8.994 9.263 -0.269 1
1 762 . 2 1 1 A 71 71 ILE HA H 71 4.369 5.306 -0.937 1
1 772 . 2 1 1 A 71 71 ILE CA C 71 59.162 60.178 -1.016 1
1 773 . 2 1 1 A 71 71 ILE CB C 71 36.826 37.659 -0.833 1
1 777 . 2 1 1 A 71 71 ILE N N 71 127.838 127.593 0.245 1
1 778 . 2 1 1 A 72 72 TRP H H 72 9.270 9.078 0.192 1
1 779 . 2 1 1 A 72 72 TRP HA H 72 5.167 5.319 -0.152 1
1 788 . 2 1 1 A 72 72 TRP CA C 72 56.180 57.050 -0.870 1
1 789 . 2 1 1 A 72 72 TRP CB C 72 31.490 30.723 0.767 1
1 795 . 2 1 1 A 72 72 TRP N N 72 127.112 129.568 -2.456 1
1 797 . 2 1 1 A 73 73 ALA H H 73 9.010 9.170 -0.160 1
1 798 . 2 1 1 A 73 73 ALA HA H 73 4.617 4.545 0.072 1
1 802 . 2 1 1 A 73 73 ALA CA C 73 52.110 52.881 -0.771 1
1 803 . 2 1 1 A 73 73 ALA CB C 73 19.070 19.855 -0.785 1
1 804 . 2 1 1 A 73 73 ALA N N 73 122.140 128.061 -5.921 1
1 805 . 2 1 1 A 74 74 ALA H H 74 9.002 8.722 0.280 1
1 806 . 2 1 1 A 74 74 ALA HA H 74 4.042 4.073 -0.031 1
1 810 . 2 1 1 A 74 74 ALA CA C 74 54.650 55.487 -0.837 1
1 811 . 2 1 1 A 74 74 ALA CB C 74 18.070 18.577 -0.507 1
1 812 . 2 1 1 A 74 74 ALA N N 74 123.213 123.046 0.167 1
1 813 . 2 1 1 A 75 75 ASN H H 75 8.162 7.989 0.173 1
1 814 . 2 1 1 A 75 75 ASN HA H 75 5.015 5.037 -0.022 1
1 819 . 2 1 1 A 75 75 ASN CA C 75 51.650 52.961 -1.311 1
1 820 . 2 1 1 A 75 75 ASN CB C 75 36.590 38.883 -2.293 1
1 821 . 2 1 1 A 75 75 ASN N N 75 112.259 113.894 -1.635 1
1 823 . 2 1 1 A 76 76 ALA H H 76 7.605 7.578 0.027 1
1 824 . 2 1 1 A 76 76 ALA HA H 76 4.281 4.439 -0.158 1
1 828 . 2 1 1 A 76 76 ALA CA C 76 53.203 51.929 1.274 1
1 829 . 2 1 1 A 76 76 ALA CB C 76 20.210 19.681 0.529 1
1 830 . 2 1 1 A 76 76 ALA N N 76 120.777 121.128 -0.351 1
1 831 . 2 1 1 A 77 77 GLY H H 77 8.449 8.276 0.173 1
1 832 . 2 1 1 A 77 77 GLY HA2 H 77 3.960 3.954 0.006 1
1 833 . 2 1 1 A 77 77 GLY HA3 H 77 3.537 3.962 -0.425 1
1 834 . 2 1 1 A 77 77 GLY CA C 77 45.410 45.369 0.041 1
1 835 . 2 1 1 A 77 77 GLY N N 77 107.064 107.222 -0.158 1
1 836 . 2 1 1 A 78 78 VAL H H 78 7.286 7.270 0.016 1
1 837 . 2 1 1 A 78 78 VAL HA H 78 3.804 3.851 -0.047 1
1 845 . 2 1 1 A 78 78 VAL CA C 78 60.736 62.372 -1.636 1
1 846 . 2 1 1 A 78 78 VAL CB C 78 33.590 31.702 1.888 1
1 849 . 2 1 1 A 78 78 VAL N N 78 120.566 120.184 0.382 1
1 850 . 2 1 1 A 79 79 THR H H 79 8.148 8.456 -0.308 1
1 851 . 2 1 1 A 79 79 THR HA H 79 4.145 4.149 -0.004 1
1 856 . 2 1 1 A 79 79 THR CA C 79 61.395 64.205 -2.810 1
1 857 . 2 1 1 A 79 79 THR CB C 79 69.620 69.307 0.313 1
1 859 . 2 1 1 A 79 79 THR N N 79 121.617 120.496 1.121 1
1 860 . 2 1 1 A 80 80 ALA H H 80 8.593 8.751 -0.158 1
1 861 . 2 1 1 A 80 80 ALA HA H 80 3.703 4.054 -0.351 1
1 865 . 2 1 1 A 80 80 ALA CA C 80 53.410 54.708 -1.298 1
1 866 . 2 1 1 A 80 80 ALA CB C 80 19.180 18.430 0.750 1
1 867 . 2 1 1 A 80 80 ALA N N 80 126.311 128.359 -2.048 1
1 868 . 2 1 1 A 81 81 SER H H 81 9.101 7.859 1.242 1
1 869 . 2 1 1 A 81 81 SER HA H 81 4.747 4.886 -0.139 1
1 872 . 2 1 1 A 81 81 SER CA C 81 55.046 55.920 -0.874 1
1 873 . 2 1 1 A 81 81 SER CB C 81 62.680 63.559 -0.879 1
1 874 . 2 1 1 A 81 81 SER N N 81 114.816 112.466 2.350 1
1 875 . 2 1 1 A 82 82 PRO HA H 82 4.328 4.261 0.067 1
1 882 . 2 1 1 A 82 82 PRO CA C 82 62.158 65.292 -3.134 1
1 883 . 2 1 1 A 82 82 PRO CB C 82 30.480 31.658 -1.178 1
1 886 . 2 1 1 A 83 83 PRO HA H 83 4.821 4.550 0.271 1
1 893 . 2 1 1 A 83 83 PRO CA C 83 64.384 63.801 0.583 1
1 894 . 2 1 1 A 83 83 PRO CB C 83 34.750 32.888 1.862 1
1 897 . 2 1 1 A 84 84 THR H H 84 8.007 7.787 0.220 1
1 898 . 2 1 1 A 84 84 THR HA H 84 4.567 3.922 0.645 1
1 903 . 2 1 1 A 84 84 THR CA C 84 64.770 64.873 -0.103 1
1 904 . 2 1 1 A 84 84 THR CB C 84 69.370 69.337 0.033 1
1 906 . 2 1 1 A 84 84 THR N N 84 114.629 113.975 0.654 1
1 907 . 2 1 1 A 85 85 ASP H H 85 7.952 7.701 0.251 1
1 908 . 2 1 1 A 85 85 ASP HA H 85 5.950 5.210 0.740 1
1 911 . 2 1 1 A 85 85 ASP CA C 85 54.110 53.130 0.980 1
1 912 . 2 1 1 A 85 85 ASP CB C 85 43.510 44.081 -0.571 1
1 913 . 2 1 1 A 85 85 ASP N N 85 124.539 119.083 5.456 1
1 914 . 2 1 1 A 86 86 LEU H H 86 9.271 9.001 0.270 1
1 915 . 2 1 1 A 86 86 LEU HA H 86 4.953 5.250 -0.297 1
1 925 . 2 1 1 A 86 86 LEU CA C 86 52.230 53.607 -1.377 1
1 926 . 2 1 1 A 86 86 LEU CB C 86 44.070 44.692 -0.622 1
1 930 . 2 1 1 A 86 86 LEU N N 86 124.265 119.843 4.422 1
1 931 . 2 1 1 A 87 87 ILE H H 87 8.691 8.702 -0.011 1
1 932 . 2 1 1 A 87 87 ILE HA H 87 4.802 5.154 -0.352 1
1 942 . 2 1 1 A 87 87 ILE CA C 87 58.694 60.451 -1.757 1
1 943 . 2 1 1 A 87 87 ILE CB C 87 37.945 38.410 -0.465 1
1 947 . 2 1 1 A 87 87 ILE N N 87 119.475 124.938 -5.463 1
1 948 . 2 1 1 A 88 88 TRP H H 88 9.755 9.200 0.555 1
1 949 . 2 1 1 A 88 88 TRP HA H 88 4.918 4.424 0.494 1
1 958 . 2 1 1 A 88 88 TRP CA C 88 54.900 55.514 -0.614 1
1 959 . 2 1 1 A 88 88 TRP CB C 88 27.270 28.480 -1.210 1
1 965 . 2 1 1 A 88 88 TRP N N 88 132.610 129.800 2.810 1
1 967 . 2 1 1 A 89 89 LYS H H 89 8.282 8.368 -0.086 1
1 968 . 2 1 1 A 89 89 LYS HA H 89 3.996 4.229 -0.233 1
1 977 . 2 1 1 A 89 89 LYS CA C 89 58.847 58.666 0.181 1
1 978 . 2 1 1 A 89 89 LYS CB C 89 32.360 32.302 0.058 1
1 982 . 2 1 1 A 89 89 LYS N N 89 125.513 126.512 -0.999 1
1 983 . 2 1 1 A 90 90 ASN H H 90 8.810 8.175 0.635 1
1 984 . 2 1 1 A 90 90 ASN HA H 90 4.434 4.684 -0.250 1
1 989 . 2 1 1 A 90 90 ASN CA C 90 54.010 54.524 -0.514 1
1 990 . 2 1 1 A 90 90 ASN CB C 90 37.770 38.890 -1.120 1
1 991 . 2 1 1 A 90 90 ASN N N 90 114.946 115.439 -0.493 1
1 993 . 2 1 1 A 91 91 GLN H H 91 7.546 6.851 0.695 1
1 994 . 2 1 1 A 91 91 GLN HA H 91 4.412 4.593 -0.181 1
1 1001 . 2 1 1 A 91 91 GLN CA C 91 53.520 54.776 -1.256 1
1 1002 . 2 1 1 A 91 91 GLN CB C 91 28.470 31.149 -2.679 1
1 1004 . 2 1 1 A 91 91 GLN N N 91 117.746 118.109 -0.363 1
1 1006 . 2 1 1 A 92 92 ASN H H 92 8.451 8.527 -0.076 1
1 1007 . 2 1 1 A 92 92 ASN HA H 92 4.876 4.909 -0.033 1
1 1012 . 2 1 1 A 92 92 ASN CA C 92 52.080 52.742 -0.662 1
1 1013 . 2 1 1 A 92 92 ASN CB C 92 39.400 39.442 -0.042 1
1 1014 . 2 1 1 A 92 92 ASN N N 92 123.697 123.944 -0.247 1
1 1016 . 2 1 1 A 93 93 SER H H 93 9.337 8.658 0.679 1
1 1017 . 2 1 1 A 93 93 SER HA H 93 3.977 4.428 -0.451 1
1 1020 . 2 1 1 A 93 93 SER CA C 93 58.940 57.914 1.026 1
1 1021 . 2 1 1 A 93 93 SER CB C 93 62.940 63.361 -0.421 1
1 1022 . 2 1 1 A 93 93 SER N N 93 117.010 114.517 2.493 1
1 1023 . 2 1 1 A 94 94 TRP H H 94 7.857 8.315 -0.458 1
1 1024 . 2 1 1 A 94 94 TRP HA H 94 4.905 5.004 -0.099 1
1 1033 . 2 1 1 A 94 94 TRP CA C 94 56.770 55.500 1.270 1
1 1034 . 2 1 1 A 94 94 TRP CB C 94 27.900 31.139 -3.239 1
1 1039 . 2 1 1 A 94 94 TRP N N 94 120.449 122.189 -1.740 1
1 1041 . 2 1 1 A 95 95 GLY H H 95 7.795 8.748 -0.953 1
1 1042 . 2 1 1 A 95 95 GLY HA2 H 95 3.953 4.024 -0.071 1
1 1043 . 2 1 1 A 95 95 GLY HA3 H 95 3.763 4.046 -0.283 1
1 1044 . 2 1 1 A 95 95 GLY CA C 95 45.487 45.528 -0.041 1
1 1045 . 2 1 1 A 95 95 GLY N N 95 109.481 108.818 0.663 1
1 1046 . 2 1 1 A 96 96 THR H H 96 8.028 8.228 -0.200 1
1 1047 . 2 1 1 A 96 96 THR HA H 96 4.696 4.491 0.205 1
1 1052 . 2 1 1 A 96 96 THR CA C 96 60.880 61.045 -0.165 1
1 1053 . 2 1 1 A 96 96 THR CB C 96 70.040 69.808 0.232 1
1 1055 . 2 1 1 A 96 96 THR N N 96 112.538 113.460 -0.922 1
1 1056 . 2 1 1 A 97 97 GLY H H 97 8.443 8.816 -0.373 1
1 1057 . 2 1 1 A 97 97 GLY HA2 H 97 3.482 3.937 -0.455 1
1 1058 . 2 1 1 A 97 97 GLY HA3 H 97 3.862 3.959 -0.097 1
1 1059 . 2 1 1 A 97 97 GLY CA C 97 45.945 45.623 0.322 1
1 1060 . 2 1 1 A 97 97 GLY N N 97 111.464 110.496 0.968 1
1 1061 . 2 1 1 A 98 98 GLU H H 98 8.010 7.770 0.240 1
1 1062 . 2 1 1 A 98 98 GLU HA H 98 4.471 4.443 0.028 1
1 1067 . 2 1 1 A 98 98 GLU CA C 98 54.730 56.059 -1.329 1
1 1068 . 2 1 1 A 98 98 GLU CB C 98 30.719 30.752 -0.033 1
1 1070 . 2 1 1 A 98 98 GLU N N 98 118.563 120.628 -2.065 1
1 1071 . 2 1 1 A 99 99 ASP H H 99 8.680 8.563 0.117 1
1 1072 . 2 1 1 A 99 99 ASP HA H 99 4.612 5.162 -0.550 1
1 1075 . 2 1 1 A 99 99 ASP CA C 99 54.451 53.772 0.679 1
1 1076 . 2 1 1 A 99 99 ASP CB C 99 39.540 39.694 -0.154 1
1 1077 . 2 1 1 A 99 99 ASP N N 99 122.219 122.535 -0.316 1
1 1078 . 2 1 1 A 100 100 VAL H H 100 8.215 8.289 -0.074 1
1 1079 . 2 1 1 A 100 100 VAL HA H 100 4.495 3.992 0.503 1
1 1087 . 2 1 1 A 100 100 VAL CA C 100 60.920 62.930 -2.010 1
1 1088 . 2 1 1 A 100 100 VAL CB C 100 34.150 32.002 2.148 1
1 1091 . 2 1 1 A 100 100 VAL N N 100 123.901 125.451 -1.550 1
1 1092 . 2 1 1 A 101 101 LYS H H 101 8.600 8.613 -0.013 1
1 1093 . 2 1 1 A 101 101 LYS HA H 101 5.112 4.669 0.443 1
1 1102 . 2 1 1 A 101 101 LYS CA C 101 54.718 54.928 -0.210 1
1 1103 . 2 1 1 A 101 101 LYS CB C 101 35.326 33.549 1.777 1
1 1107 . 2 1 1 A 101 101 LYS N N 101 126.635 130.401 -3.766 1
1 1108 . 2 1 1 A 102 102 VAL H H 102 9.209 8.745 0.464 1
1 1109 . 2 1 1 A 102 102 VAL HA H 102 5.405 4.277 1.128 1
1 1117 . 2 1 1 A 102 102 VAL CA C 102 59.950 62.350 -2.400 1
1 1118 . 2 1 1 A 102 102 VAL CB C 102 34.420 31.829 2.591 1
1 1121 . 2 1 1 A 102 102 VAL N N 102 125.573 127.001 -1.428 1
1 1122 . 2 1 1 A 103 103 ILE H H 103 8.968 9.096 -0.128 1
1 1123 . 2 1 1 A 103 103 ILE HA H 103 4.671 4.796 -0.125 1
1 1133 . 2 1 1 A 103 103 ILE CA C 103 59.790 59.618 0.172 1
1 1134 . 2 1 1 A 103 103 ILE CB C 103 42.522 40.584 1.938 1
1 1138 . 2 1 1 A 103 103 ILE N N 103 125.593 128.261 -2.668 1
1 1139 . 2 1 1 A 104 104 LEU H H 104 9.017 9.162 -0.145 1
1 1140 . 2 1 1 A 104 104 LEU HA H 104 5.361 5.103 0.258 1
1 1150 . 2 1 1 A 104 104 LEU CA C 104 52.800 53.744 -0.944 1
1 1151 . 2 1 1 A 104 104 LEU CB C 104 46.200 42.716 3.484 1
1 1155 . 2 1 1 A 104 104 LEU N N 104 127.791 127.199 0.592 1
1 1156 . 2 1 1 A 105 105 LYS H H 105 9.674 8.879 0.795 1
1 1157 . 2 1 1 A 105 105 LYS HA H 105 5.194 5.290 -0.096 1
1 1166 . 2 1 1 A 105 105 LYS CA C 105 53.780 54.173 -0.393 1
1 1167 . 2 1 1 A 105 105 LYS CB C 105 36.330 35.770 0.560 1
1 1171 . 2 1 1 A 105 105 LYS N N 105 126.536 123.735 2.801 1
1 1172 . 2 1 1 A 106 106 ASN H H 106 7.774 9.271 -1.497 1
1 1173 . 2 1 1 A 106 106 ASN HA H 106 2.714 5.079 -2.365 1
1 1178 . 2 1 1 A 106 106 ASN CA C 106 49.530 52.261 -2.731 1
1 1179 . 2 1 1 A 106 106 ASN CB C 106 36.940 40.071 -3.131 1
1 1180 . 2 1 1 A 106 106 ASN N N 106 116.550 119.879 -3.329 1
1 1182 . 2 1 1 A 107 107 SER H H 107 6.988 8.646 -1.658 1
1 1183 . 2 1 1 A 107 107 SER HA H 107 4.092 4.157 -0.065 1
1 1186 . 2 1 1 A 107 107 SER CA C 107 60.490 61.088 -0.598 1
1 1187 . 2 1 1 A 107 107 SER CB C 107 62.510 62.815 -0.305 1
1 1188 . 2 1 1 A 107 107 SER N N 107 112.400 115.276 -2.876 1
1 1189 . 2 1 1 A 108 108 GLN H H 108 7.414 7.733 -0.319 1
1 1190 . 2 1 1 A 108 108 GLN HA H 108 4.404 4.462 -0.058 1
1 1197 . 2 1 1 A 108 108 GLN CA C 108 55.470 55.271 0.199 1
1 1198 . 2 1 1 A 108 108 GLN CB C 108 28.400 29.102 -0.702 1
1 1200 . 2 1 1 A 108 108 GLN N N 108 119.000 118.159 0.841 1
1 1202 . 2 1 1 A 109 109 GLY H H 109 7.835 8.156 -0.321 1
1 1203 . 2 1 1 A 109 109 GLY HA2 H 109 4.136 3.949 0.187 1
1 1204 . 2 1 1 A 109 109 GLY HA3 H 109 3.530 3.957 -0.427 1
1 1205 . 2 1 1 A 109 109 GLY CA C 109 45.549 45.169 0.380 1
1 1206 . 2 1 1 A 109 109 GLY N N 109 107.333 108.183 -0.850 1
1 1207 . 2 1 1 A 110 110 GLU H H 110 7.562 8.060 -0.498 1
1 1208 . 2 1 1 A 110 110 GLU HA H 110 4.209 4.402 -0.193 1
1 1213 . 2 1 1 A 110 110 GLU CA C 110 54.320 56.565 -2.245 1
1 1214 . 2 1 1 A 110 110 GLU CB C 110 29.760 30.425 -0.665 1
1 1216 . 2 1 1 A 110 110 GLU N N 110 120.137 120.513 -0.376 1
1 1217 . 2 1 1 A 111 111 GLU H H 111 8.799 8.482 0.317 1
1 1218 . 2 1 1 A 111 111 GLU HA H 111 4.194 4.953 -0.759 1
1 1223 . 2 1 1 A 111 111 GLU CA C 111 57.160 55.022 2.138 1
1 1224 . 2 1 1 A 111 111 GLU CB C 111 29.175 32.914 -3.739 1
1 1226 . 2 1 1 A 111 111 GLU N N 111 123.867 123.217 0.650 1
1 1227 . 2 1 1 A 112 112 VAL H H 112 9.093 8.443 0.650 1
1 1228 . 2 1 1 A 112 112 VAL HA H 112 4.330 4.300 0.030 1
1 1236 . 2 1 1 A 112 112 VAL CA C 112 61.529 62.622 -1.093 1
1 1237 . 2 1 1 A 112 112 VAL CB C 112 33.230 32.787 0.443 1
1 1240 . 2 1 1 A 112 112 VAL N N 112 122.642 121.778 0.864 1
1 1241 . 2 1 1 A 113 113 ALA H H 113 7.793 7.028 0.765 1
1 1242 . 2 1 1 A 113 113 ALA HA H 113 4.770 4.813 -0.043 1
1 1246 . 2 1 1 A 113 113 ALA CA C 113 52.449 51.489 0.960 1
1 1247 . 2 1 1 A 113 113 ALA CB C 113 22.400 22.423 -0.023 1
1 1248 . 2 1 1 A 113 113 ALA N N 113 121.070 121.065 0.005 1
1 1249 . 2 1 1 A 114 114 GLN H H 114 8.450 8.873 -0.423 1
1 1250 . 2 1 1 A 114 114 GLN HA H 114 5.404 5.387 0.017 1
1 1257 . 2 1 1 A 114 114 GLN CA C 114 54.830 54.187 0.643 1
1 1258 . 2 1 1 A 114 114 GLN CB C 114 32.307 32.731 -0.424 1
1 1260 . 2 1 1 A 114 114 GLN N N 114 115.851 116.668 -0.817 1
1 1262 . 2 1 1 A 115 115 ARG H H 115 8.989 8.810 0.179 1
1 1263 . 2 1 1 A 115 115 ARG HA H 115 4.555 4.859 -0.304 1
1 1270 . 2 1 1 A 115 115 ARG CA C 115 56.350 55.410 0.940 1
1 1271 . 2 1 1 A 115 115 ARG CB C 115 33.730 34.547 -0.817 1
1 1274 . 2 1 1 A 115 115 ARG N N 115 122.920 121.720 1.200 1
1 1275 . 2 1 1 A 116 116 SER H H 116 8.511 8.811 -0.300 1
1 1276 . 2 1 1 A 116 116 SER HA H 116 5.756 5.381 0.375 1
1 1279 . 2 1 1 A 116 116 SER CA C 116 56.400 56.163 0.237 1
1 1280 . 2 1 1 A 116 116 SER CB C 116 65.770 65.907 -0.137 1
1 1281 . 2 1 1 A 116 116 SER N N 116 119.807 116.204 3.603 1
1 1282 . 2 1 1 A 117 117 THR H H 117 8.801 8.530 0.271 1
1 1283 . 2 1 1 A 117 117 THR HA H 117 4.378 4.497 -0.119 1
1 1288 . 2 1 1 A 117 117 THR CA C 117 62.160 61.395 0.765 1
1 1289 . 2 1 1 A 117 117 THR CB C 117 70.010 70.344 -0.334 1
1 1291 . 2 1 1 A 117 117 THR N N 117 116.435 113.792 2.643 1
1 1292 . 2 1 1 A 118 118 VAL H H 118 8.165 8.664 -0.499 1
1 1293 . 2 1 1 A 118 118 VAL HA H 118 4.227 4.069 0.158 1
1 1301 . 2 1 1 A 118 118 VAL CA C 118 61.320 62.911 -1.591 1
1 1302 . 2 1 1 A 118 118 VAL CB C 118 32.931 30.575 2.356 1
1 1305 . 2 1 1 A 118 118 VAL N N 118 122.111 123.139 -1.028 1
1 1306 . 2 1 1 A 119 119 PHE H H 119 8.580 7.825 0.755 1
1 1307 . 2 1 1 A 119 119 PHE HA H 119 4.655 4.373 0.282 1
1 1314 . 2 1 1 A 119 119 PHE CA C 119 57.520 59.623 -2.103 1
1 1315 . 2 1 1 A 119 119 PHE CB C 119 39.550 38.484 1.066 1
1 1320 . 2 1 1 A 119 119 PHE N N 119 126.006 123.736 2.270 1
1 1321 . 2 1 1 A 120 120 LYS H H 120 8.346 6.811 1.535 1
1 1322 . 2 1 1 A 120 120 LYS HA H 120 4.432 4.418 0.014 1
1 1331 . 2 1 1 A 120 120 LYS CA C 120 55.740 54.755 0.985 1
1 1332 . 2 1 1 A 120 120 LYS CB C 120 33.290 33.079 0.211 1
1 1336 . 2 1 1 A 120 120 LYS N N 120 124.095 120.378 3.717 1
1 1337 . 2 1 1 A 121 121 THR H H 121 8.294 8.519 -0.225 1
1 1338 . 2 1 1 A 121 121 THR HA H 121 4.394 4.743 -0.349 1
1 1343 . 2 1 1 A 121 121 THR CA C 121 61.610 61.212 0.398 1
1 1344 . 2 1 1 A 121 121 THR CB C 121 69.640 70.647 -1.007 1
1 1346 . 2 1 1 A 121 121 THR N N 121 116.359 117.833 -1.474 1
1 1 . 3 1 1 A 3 3 HIS H H 3 8.528 8.371 0.157 1
1 2 . 3 1 1 A 3 3 HIS HA H 3 4.626 5.310 -0.684 1
1 5 . 3 1 1 A 3 3 HIS CA C 3 55.260 53.990 1.270 1
1 6 . 3 1 1 A 3 3 HIS CB C 3 29.250 31.074 -1.824 1
1 7 . 3 1 1 A 3 3 HIS N N 3 118.990 118.616 0.374 1
1 8 . 3 1 1 A 4 4 HIS H H 4 8.528 8.915 -0.387 1
1 9 . 3 1 1 A 4 4 HIS HA H 4 4.624 4.608 0.016 1
1 12 . 3 1 1 A 4 4 HIS CA C 4 55.277 55.897 -0.620 1
1 13 . 3 1 1 A 4 4 HIS CB C 4 29.002 30.178 -1.176 1
1 14 . 3 1 1 A 4 4 HIS N N 4 118.990 121.643 -2.653 1
1 15 . 3 1 1 A 5 5 HIS H H 5 8.579 8.050 0.529 1
1 16 . 3 1 1 A 5 5 HIS HA H 5 4.737 4.009 0.728 1
1 19 . 3 1 1 A 5 5 HIS CA C 5 55.330 56.765 -1.435 1
1 20 . 3 1 1 A 5 5 HIS CB C 5 29.257 29.026 0.231 1
1 21 . 3 1 1 A 5 5 HIS N N 5 119.720 116.579 3.141 1
1 22 . 3 1 1 A 6 6 HIS H H 6 8.603 7.483 1.120 1
1 23 . 3 1 1 A 6 6 HIS HA H 6 4.674 4.508 0.166 1
1 26 . 3 1 1 A 6 6 HIS CA C 6 55.150 54.782 0.368 1
1 27 . 3 1 1 A 6 6 HIS CB C 6 27.340 31.561 -4.221 1
1 28 . 3 1 1 A 6 6 HIS N N 6 121.420 115.870 5.550 1
1 29 . 3 1 1 A 7 7 HIS H H 7 8.706 9.044 -0.338 1
1 30 . 3 1 1 A 7 7 HIS HA H 7 4.658 4.232 0.426 1
1 33 . 3 1 1 A 7 7 HIS CA C 7 55.100 56.882 -1.782 1
1 34 . 3 1 1 A 7 7 HIS CB C 7 29.300 29.157 0.143 1
1 35 . 3 1 1 A 7 7 HIS N N 7 121.200 118.623 2.577 1
1 36 . 3 1 1 A 8 8 HIS H H 8 8.706 8.055 0.651 1
1 37 . 3 1 1 A 8 8 HIS HA H 8 4.706 4.218 0.488 1
1 40 . 3 1 1 A 8 8 HIS CA C 8 55.156 57.769 -2.613 1
1 41 . 3 1 1 A 8 8 HIS CB C 8 29.396 30.535 -1.139 1
1 42 . 3 1 1 A 8 8 HIS N N 8 121.200 119.881 1.319 1
1 43 . 3 1 1 A 9 9 SER H H 9 8.551 8.166 0.385 1
1 44 . 3 1 1 A 9 9 SER HA H 9 4.450 3.941 0.509 1
1 47 . 3 1 1 A 9 9 SER CA C 9 58.200 57.949 0.251 1
1 48 . 3 1 1 A 9 9 SER CB C 9 63.740 63.808 -0.068 1
1 49 . 3 1 1 A 9 9 SER N N 9 118.046 119.574 -1.528 1
1 50 . 3 1 1 A 10 10 HIS H H 10 8.770 8.700 0.070 1
1 51 . 3 1 1 A 10 10 HIS HA H 10 4.726 5.008 -0.282 1
1 54 . 3 1 1 A 10 10 HIS CA C 10 55.640 54.366 1.274 1
1 55 . 3 1 1 A 10 10 HIS CB C 10 29.172 32.441 -3.269 1
1 56 . 3 1 1 A 10 10 HIS N N 10 120.412 120.259 0.153 1
1 57 . 3 1 1 A 11 11 MET H H 11 8.528 9.013 -0.485 1
1 58 . 3 1 1 A 11 11 MET HA H 11 4.658 4.585 0.073 1
1 66 . 3 1 1 A 11 11 MET CA C 11 55.438 54.146 1.292 1
1 67 . 3 1 1 A 11 11 MET CB C 11 33.090 32.376 0.714 1
1 70 . 3 1 1 A 11 11 MET N N 11 122.400 122.871 -0.471 1
1 71 . 3 1 1 A 12 12 THR H H 12 8.339 8.990 -0.651 1
1 72 . 3 1 1 A 12 12 THR HA H 12 4.450 4.105 0.345 1
1 77 . 3 1 1 A 12 12 THR CA C 12 61.810 63.959 -2.149 1
1 78 . 3 1 1 A 12 12 THR CB C 12 70.450 70.413 0.037 1
1 80 . 3 1 1 A 12 12 THR N N 12 115.700 120.144 -4.444 1
1 81 . 3 1 1 A 13 13 GLY H H 13 8.426 7.851 0.575 1
1 82 . 3 1 1 A 13 13 GLY HA2 H 13 4.287 4.103 0.184 1
1 83 . 3 1 1 A 13 13 GLY HA3 H 13 3.877 4.199 -0.322 1
1 84 . 3 1 1 A 13 13 GLY CA C 13 45.243 44.084 1.159 1
1 85 . 3 1 1 A 13 13 GLY N N 13 110.872 108.367 2.505 1
1 86 . 3 1 1 A 14 14 ASN H H 14 8.374 8.662 -0.288 1
1 87 . 3 1 1 A 14 14 ASN HA H 14 4.720 5.165 -0.445 1
1 92 . 3 1 1 A 14 14 ASN CA C 14 54.200 53.070 1.130 1
1 93 . 3 1 1 A 14 14 ASN CB C 14 39.210 40.640 -1.430 1
1 94 . 3 1 1 A 14 14 ASN N N 14 117.789 118.191 -0.402 1
1 96 . 3 1 1 A 15 15 VAL H H 15 7.890 8.510 -0.620 1
1 97 . 3 1 1 A 15 15 VAL HA H 15 4.843 5.016 -0.173 1
1 105 . 3 1 1 A 15 15 VAL CA C 15 61.759 60.379 1.380 1
1 106 . 3 1 1 A 15 15 VAL CB C 15 33.230 34.647 -1.417 1
1 109 . 3 1 1 A 15 15 VAL N N 15 118.720 124.749 -6.029 1
1 110 . 3 1 1 A 16 16 CYS H H 16 9.060 9.021 0.039 1
1 111 . 3 1 1 A 16 16 CYS HA H 16 4.899 5.258 -0.359 1
1 114 . 3 1 1 A 16 16 CYS CA C 16 54.620 56.408 -1.788 1
1 115 . 3 1 1 A 16 16 CYS CB C 16 30.900 31.640 -0.740 1
1 116 . 3 1 1 A 16 16 CYS N N 16 122.674 124.020 -1.346 1
1 117 . 3 1 1 A 17 17 ILE H H 17 8.845 8.856 -0.011 1
1 118 . 3 1 1 A 17 17 ILE HA H 17 4.153 4.163 -0.010 1
1 128 . 3 1 1 A 17 17 ILE CA C 17 61.080 61.430 -0.350 1
1 129 . 3 1 1 A 17 17 ILE CB C 17 36.397 37.117 -0.720 1
1 133 . 3 1 1 A 17 17 ILE N N 17 122.609 122.679 -0.070 1
1 134 . 3 1 1 A 18 18 GLU H H 18 8.917 9.175 -0.258 1
1 135 . 3 1 1 A 18 18 GLU HA H 18 4.230 4.258 -0.028 1
1 140 . 3 1 1 A 18 18 GLU CA C 18 57.160 58.370 -1.210 1
1 141 . 3 1 1 A 18 18 GLU CB C 18 30.550 30.734 -0.184 1
1 143 . 3 1 1 A 18 18 GLU N N 18 130.894 130.133 0.761 1
1 144 . 3 1 1 A 19 19 GLU H H 19 7.853 7.288 0.565 1
1 145 . 3 1 1 A 19 19 GLU HA H 19 4.470 4.703 -0.233 1
1 150 . 3 1 1 A 19 19 GLU CA C 19 56.110 56.039 0.071 1
1 151 . 3 1 1 A 19 19 GLU CB C 19 33.847 33.294 0.553 1
1 153 . 3 1 1 A 19 19 GLU N N 19 115.069 117.919 -2.850 1
1 154 . 3 1 1 A 20 20 ILE H H 20 8.744 8.751 -0.007 1
1 155 . 3 1 1 A 20 20 ILE HA H 20 4.080 4.817 -0.737 1
1 165 . 3 1 1 A 20 20 ILE CA C 20 60.619 59.393 1.226 1
1 166 . 3 1 1 A 20 20 ILE CB C 20 39.170 41.107 -1.937 1
1 170 . 3 1 1 A 20 20 ILE N N 20 127.309 125.417 1.892 1
1 171 . 3 1 1 A 21 21 ASP H H 21 7.468 8.271 -0.803 1
1 172 . 3 1 1 A 21 21 ASP HA H 21 3.949 4.049 -0.100 1
1 175 . 3 1 1 A 21 21 ASP CA C 21 54.970 54.294 0.676 1
1 176 . 3 1 1 A 21 21 ASP CB C 21 42.170 41.656 0.514 1
1 177 . 3 1 1 A 21 21 ASP N N 21 124.858 126.409 -1.551 1
1 178 . 3 1 1 A 22 22 VAL H H 22 8.650 8.569 0.081 1
1 179 . 3 1 1 A 22 22 VAL HA H 22 3.998 4.031 -0.033 1
1 187 . 3 1 1 A 22 22 VAL CA C 22 64.445 65.012 -0.567 1
1 188 . 3 1 1 A 22 22 VAL CB C 22 31.244 31.837 -0.593 1
1 191 . 3 1 1 A 22 22 VAL N N 22 130.172 126.489 3.683 1
1 192 . 3 1 1 A 23 23 ASP H H 23 7.482 7.744 -0.262 1
1 193 . 3 1 1 A 23 23 ASP HA H 23 4.711 4.600 0.111 1
1 196 . 3 1 1 A 23 23 ASP CA C 23 53.920 55.124 -1.204 1
1 197 . 3 1 1 A 23 23 ASP CB C 23 40.100 41.644 -1.544 1
1 198 . 3 1 1 A 23 23 ASP N N 23 118.547 119.897 -1.350 1
1 199 . 3 1 1 A 24 24 GLY H H 24 7.220 7.712 -0.492 1
1 200 . 3 1 1 A 24 24 GLY HA2 H 24 2.950 3.768 -0.818 1
1 201 . 3 1 1 A 24 24 GLY HA3 H 24 2.407 3.885 -1.478 1
1 202 . 3 1 1 A 24 24 GLY CA C 24 45.040 44.607 0.433 1
1 203 . 3 1 1 A 24 24 GLY N N 24 105.293 107.296 -2.003 1
1 204 . 3 1 1 A 25 25 LYS H H 25 8.757 7.840 0.917 1
1 205 . 3 1 1 A 25 25 LYS HA H 25 3.964 3.862 0.102 1
1 214 . 3 1 1 A 25 25 LYS CA C 25 56.590 56.334 0.256 1
1 215 . 3 1 1 A 25 25 LYS CB C 25 33.660 33.187 0.473 1
1 219 . 3 1 1 A 25 25 LYS N N 25 111.753 117.694 -5.941 1
1 220 . 3 1 1 A 26 26 PHE H H 26 6.380 7.173 -0.793 1
1 221 . 3 1 1 A 26 26 PHE HA H 26 5.753 5.148 0.605 1
1 229 . 3 1 1 A 26 26 PHE CA C 26 56.370 55.941 0.429 1
1 230 . 3 1 1 A 26 26 PHE CB C 26 40.030 40.567 -0.537 1
1 236 . 3 1 1 A 26 26 PHE N N 26 110.097 114.321 -4.224 1
1 237 . 3 1 1 A 27 27 ILE H H 27 8.601 8.733 -0.132 1
1 238 . 3 1 1 A 27 27 ILE HA H 27 4.506 4.807 -0.301 1
1 248 . 3 1 1 A 27 27 ILE CA C 27 60.905 60.754 0.151 1
1 249 . 3 1 1 A 27 27 ILE CB C 27 43.249 40.742 2.507 1
1 253 . 3 1 1 A 27 27 ILE N N 27 119.676 120.217 -0.541 1
1 254 . 3 1 1 A 28 28 ARG H H 28 9.290 9.174 0.116 1
1 255 . 3 1 1 A 28 28 ARG HA H 28 5.561 4.978 0.583 1
1 262 . 3 1 1 A 28 28 ARG CA C 28 54.650 55.582 -0.932 1
1 263 . 3 1 1 A 28 28 ARG CB C 28 34.180 31.749 2.431 1
1 266 . 3 1 1 A 28 28 ARG N N 28 127.516 128.826 -1.310 1
1 267 . 3 1 1 A 29 29 LEU H H 29 9.502 9.373 0.129 1
1 268 . 3 1 1 A 29 29 LEU HA H 29 5.306 5.340 -0.034 1
1 278 . 3 1 1 A 29 29 LEU CA C 29 54.010 53.166 0.844 1
1 279 . 3 1 1 A 29 29 LEU CB C 29 44.020 44.668 -0.648 1
1 283 . 3 1 1 A 29 29 LEU N N 29 126.696 128.988 -2.292 1
1 284 . 3 1 1 A 30 30 LYS H H 30 8.641 8.905 -0.264 1
1 285 . 3 1 1 A 30 30 LYS HA H 30 5.108 4.808 0.300 1
1 294 . 3 1 1 A 30 30 LYS CA C 30 54.660 55.306 -0.646 1
1 295 . 3 1 1 A 30 30 LYS CB C 30 38.070 36.585 1.485 1
1 299 . 3 1 1 A 30 30 LYS N N 30 118.761 121.501 -2.740 1
1 300 . 3 1 1 A 31 31 ASN H H 31 8.397 9.232 -0.835 1
1 301 . 3 1 1 A 31 31 ASN HA H 31 5.319 5.189 0.130 1
1 306 . 3 1 1 A 31 31 ASN CA C 31 50.690 53.445 -2.755 1
1 307 . 3 1 1 A 31 31 ASN CB C 31 37.490 40.178 -2.688 1
1 308 . 3 1 1 A 31 31 ASN N N 31 123.996 123.630 0.366 1
1 310 . 3 1 1 A 32 32 THR H H 32 8.455 8.391 0.064 1
1 311 . 3 1 1 A 32 32 THR HA H 32 4.302 4.666 -0.364 1
1 316 . 3 1 1 A 32 32 THR CA C 32 61.492 60.966 0.526 1
1 317 . 3 1 1 A 32 32 THR CB C 32 68.110 69.822 -1.712 1
1 319 . 3 1 1 A 32 32 THR N N 32 115.755 115.648 0.107 1
1 320 . 3 1 1 A 33 33 SER H H 33 8.487 7.880 0.607 1
1 321 . 3 1 1 A 33 33 SER HA H 33 4.793 4.393 0.400 1
1 324 . 3 1 1 A 33 33 SER CA C 33 57.500 57.578 -0.078 1
1 325 . 3 1 1 A 33 33 SER CB C 33 66.510 65.397 1.113 1
1 326 . 3 1 1 A 33 33 SER N N 33 120.037 119.227 0.810 1
1 327 . 3 1 1 A 34 34 GLU H H 34 8.355 8.868 -0.513 1
1 328 . 3 1 1 A 34 34 GLU HA H 34 4.335 4.383 -0.048 1
1 333 . 3 1 1 A 34 34 GLU CA C 34 55.840 57.187 -1.347 1
1 334 . 3 1 1 A 34 34 GLU CB C 34 28.930 30.169 -1.239 1
1 336 . 3 1 1 A 34 34 GLU N N 34 116.545 121.618 -5.073 1
1 337 . 3 1 1 A 35 35 GLN H H 35 8.634 7.569 1.065 1
1 338 . 3 1 1 A 35 35 GLN HA H 35 4.664 4.816 -0.152 1
1 345 . 3 1 1 A 35 35 GLN CA C 35 53.740 54.706 -0.966 1
1 346 . 3 1 1 A 35 35 GLN CB C 35 31.696 32.659 -0.963 1
1 348 . 3 1 1 A 35 35 GLN N N 35 120.013 119.787 0.226 1
1 350 . 3 1 1 A 36 36 ASP H H 36 8.859 8.660 0.199 1
1 351 . 3 1 1 A 36 36 ASP HA H 36 4.050 4.936 -0.886 1
1 354 . 3 1 1 A 36 36 ASP CA C 36 54.640 54.454 0.186 1
1 355 . 3 1 1 A 36 36 ASP CB C 36 40.120 40.625 -0.505 1
1 356 . 3 1 1 A 36 36 ASP N N 36 124.552 123.316 1.236 1
1 357 . 3 1 1 A 37 37 GLN H H 37 8.141 8.614 -0.473 1
1 358 . 3 1 1 A 37 37 GLN HA H 37 4.786 4.820 -0.034 1
1 365 . 3 1 1 A 37 37 GLN CA C 37 50.858 52.448 -1.590 1
1 366 . 3 1 1 A 37 37 GLN CB C 37 31.860 29.769 2.091 1
1 368 . 3 1 1 A 37 37 GLN N N 37 120.015 123.442 -3.427 1
1 370 . 3 1 1 A 38 38 PRO HA H 38 4.367 4.472 -0.105 1
1 377 . 3 1 1 A 38 38 PRO CA C 38 63.330 62.657 0.673 1
1 378 . 3 1 1 A 38 38 PRO CB C 38 31.750 32.511 -0.761 1
1 381 . 3 1 1 A 39 39 MET H H 39 8.392 8.274 0.118 1
1 382 . 3 1 1 A 39 39 MET HA H 39 2.792 3.933 -1.141 1
1 390 . 3 1 1 A 39 39 MET CA C 39 53.780 57.250 -3.470 1
1 391 . 3 1 1 A 39 39 MET CB C 39 34.410 33.404 1.006 1
1 394 . 3 1 1 A 39 39 MET N N 39 124.427 120.562 3.865 1
1 395 . 3 1 1 A 40 40 GLY H H 40 7.940 7.583 0.357 1
1 396 . 3 1 1 A 40 40 GLY HA2 H 40 4.154 2.799 1.355 1
1 397 . 3 1 1 A 40 40 GLY HA3 H 40 3.763 3.603 0.160 1
1 398 . 3 1 1 A 40 40 GLY CA C 40 48.114 43.838 4.276 1
1 399 . 3 1 1 A 40 40 GLY N N 40 108.664 106.294 2.370 1
1 400 . 3 1 1 A 41 41 GLY H H 41 7.959 8.209 -0.250 1
1 401 . 3 1 1 A 41 41 GLY HA2 H 41 4.323 3.831 0.492 1
1 402 . 3 1 1 A 41 41 GLY HA3 H 41 3.769 3.892 -0.123 1
1 403 . 3 1 1 A 41 41 GLY CA C 41 46.020 45.805 0.215 1
1 404 . 3 1 1 A 41 41 GLY N N 41 114.027 106.963 7.064 1
1 405 . 3 1 1 A 42 42 TRP H H 42 8.667 7.366 1.301 1
1 406 . 3 1 1 A 42 42 TRP HA H 42 4.408 4.974 -0.566 1
1 415 . 3 1 1 A 42 42 TRP CA C 42 58.925 57.116 1.809 1
1 416 . 3 1 1 A 42 42 TRP CB C 42 28.120 31.802 -3.682 1
1 422 . 3 1 1 A 42 42 TRP N N 42 122.097 121.655 0.442 1
1 424 . 3 1 1 A 43 43 GLU H H 43 8.740 8.929 -0.189 1
1 425 . 3 1 1 A 43 43 GLU HA H 43 5.462 5.161 0.301 1
1 430 . 3 1 1 A 43 43 GLU CA C 43 54.410 54.990 -0.580 1
1 431 . 3 1 1 A 43 43 GLU CB C 43 33.980 33.624 0.356 1
1 433 . 3 1 1 A 43 43 GLU N N 43 120.300 121.409 -1.109 1
1 434 . 3 1 1 A 44 44 MET H H 44 9.658 9.275 0.383 1
1 435 . 3 1 1 A 44 44 MET HA H 44 5.488 5.475 0.013 1
1 443 . 3 1 1 A 44 44 MET CA C 44 53.360 53.936 -0.576 1
1 444 . 3 1 1 A 44 44 MET CB C 44 37.490 35.412 2.078 1
1 447 . 3 1 1 A 44 44 MET N N 44 126.477 125.701 0.776 1
1 448 . 3 1 1 A 45 45 ILE H H 45 9.658 9.437 0.221 1
1 449 . 3 1 1 A 45 45 ILE HA H 45 4.781 4.784 -0.003 1
1 459 . 3 1 1 A 45 45 ILE CA C 45 60.413 60.553 -0.140 1
1 460 . 3 1 1 A 45 45 ILE CB C 45 40.804 38.560 2.244 1
1 464 . 3 1 1 A 45 45 ILE N N 45 127.329 127.395 -0.066 1
1 465 . 3 1 1 A 46 46 ARG H H 46 9.217 9.411 -0.194 1
1 466 . 3 1 1 A 46 46 ARG HA H 46 5.083 4.936 0.147 1
1 474 . 3 1 1 A 46 46 ARG CA C 46 53.760 55.514 -1.754 1
1 475 . 3 1 1 A 46 46 ARG CB C 46 33.559 31.584 1.975 1
1 478 . 3 1 1 A 46 46 ARG N N 46 126.837 128.476 -1.639 1
1 480 . 3 1 1 A 47 47 LYS H H 47 9.876 9.051 0.825 1
1 481 . 3 1 1 A 47 47 LYS HA H 47 5.257 4.757 0.500 1
1 490 . 3 1 1 A 47 47 LYS CA C 47 55.260 54.984 0.276 1
1 491 . 3 1 1 A 47 47 LYS CB C 47 34.860 33.999 0.861 1
1 495 . 3 1 1 A 47 47 LYS N N 47 132.271 126.498 5.773 1
1 496 . 3 1 1 A 48 48 ILE H H 48 7.909 8.864 -0.955 1
1 497 . 3 1 1 A 48 48 ILE HA H 48 4.360 4.095 0.265 1
1 507 . 3 1 1 A 48 48 ILE CA C 48 61.132 62.355 -1.223 1
1 508 . 3 1 1 A 48 48 ILE CB C 48 40.316 39.046 1.270 1
1 512 . 3 1 1 A 48 48 ILE N N 48 125.793 127.126 -1.333 1
1 513 . 3 1 1 A 49 49 GLY H H 49 9.576 7.434 2.142 1
1 514 . 3 1 1 A 49 49 GLY HA2 H 49 4.021 4.048 -0.027 1
1 515 . 3 1 1 A 49 49 GLY HA3 H 49 3.730 4.052 -0.322 1
1 516 . 3 1 1 A 49 49 GLY CA C 49 46.910 46.129 0.781 1
1 517 . 3 1 1 A 49 49 GLY N N 49 120.665 109.632 11.033 1
1 518 . 3 1 1 A 50 50 ASP H H 50 8.935 8.682 0.253 1
1 519 . 3 1 1 A 50 50 ASP HA H 50 4.777 4.651 0.126 1
1 522 . 3 1 1 A 50 50 ASP CA C 50 54.000 55.359 -1.359 1
1 523 . 3 1 1 A 50 50 ASP CB C 50 40.520 41.924 -1.404 1
1 524 . 3 1 1 A 50 50 ASP N N 50 126.343 124.830 1.513 1
1 525 . 3 1 1 A 51 51 THR H H 51 8.253 7.552 0.701 1
1 526 . 3 1 1 A 51 51 THR HA H 51 4.638 4.587 0.051 1
1 531 . 3 1 1 A 51 51 THR CA C 51 61.690 61.945 -0.255 1
1 532 . 3 1 1 A 51 51 THR CB C 51 71.080 70.207 0.873 1
1 534 . 3 1 1 A 51 51 THR N N 51 115.167 115.273 -0.106 1
1 535 . 3 1 1 A 52 52 SER H H 52 8.710 8.664 0.046 1
1 536 . 3 1 1 A 52 52 SER HA H 52 5.318 5.441 -0.123 1
1 539 . 3 1 1 A 52 52 SER CA C 52 57.290 56.652 0.638 1
1 540 . 3 1 1 A 52 52 SER CB C 52 64.730 67.188 -2.458 1
1 541 . 3 1 1 A 52 52 SER N N 52 121.442 120.839 0.603 1
1 542 . 3 1 1 A 53 53 VAL H H 53 8.448 8.293 0.155 1
1 543 . 3 1 1 A 53 53 VAL HA H 53 4.650 4.631 0.019 1
1 551 . 3 1 1 A 53 53 VAL CA C 53 60.449 60.645 -0.196 1
1 552 . 3 1 1 A 53 53 VAL CB C 53 35.105 34.833 0.272 1
1 555 . 3 1 1 A 53 53 VAL N N 53 121.387 120.429 0.958 1
1 556 . 3 1 1 A 54 54 SER H H 54 8.761 9.136 -0.375 1
1 557 . 3 1 1 A 54 54 SER HA H 54 5.760 6.026 -0.266 1
1 560 . 3 1 1 A 54 54 SER CA C 54 57.180 55.663 1.517 1
1 561 . 3 1 1 A 54 54 SER CB C 54 65.910 66.370 -0.460 1
1 562 . 3 1 1 A 54 54 SER N N 54 118.025 122.591 -4.566 1
1 563 . 3 1 1 A 55 55 TYR H H 55 9.340 8.826 0.514 1
1 564 . 3 1 1 A 55 55 TYR HA H 55 4.175 4.949 -0.774 1
1 571 . 3 1 1 A 55 55 TYR CA C 55 57.100 57.535 -0.435 1
1 572 . 3 1 1 A 55 55 TYR CB C 55 39.870 40.743 -0.873 1
1 577 . 3 1 1 A 55 55 TYR N N 55 128.024 122.455 5.569 1
1 578 . 3 1 1 A 56 56 LYS H H 56 7.551 8.268 -0.717 1
1 579 . 3 1 1 A 56 56 LYS HA H 56 4.890 4.445 0.445 1
1 588 . 3 1 1 A 56 56 LYS CA C 56 54.117 55.178 -1.061 1
1 589 . 3 1 1 A 56 56 LYS CB C 56 33.610 33.605 0.005 1
1 593 . 3 1 1 A 56 56 LYS N N 56 127.706 129.684 -1.978 1
1 594 . 3 1 1 A 57 57 TYR H H 57 8.247 9.262 -1.015 1
1 595 . 3 1 1 A 57 57 TYR HA H 57 3.996 4.583 -0.587 1
1 602 . 3 1 1 A 57 57 TYR CA C 57 59.032 57.637 1.395 1
1 603 . 3 1 1 A 57 57 TYR CB C 57 39.390 39.799 -0.409 1
1 608 . 3 1 1 A 57 57 TYR N N 57 124.225 126.203 -1.978 1
1 609 . 3 1 1 A 58 58 THR H H 58 8.722 8.716 0.006 1
1 610 . 3 1 1 A 58 58 THR HA H 58 4.259 4.915 -0.656 1
1 615 . 3 1 1 A 58 58 THR CA C 58 62.250 59.564 2.686 1
1 616 . 3 1 1 A 58 58 THR CB C 58 69.280 71.207 -1.927 1
1 618 . 3 1 1 A 58 58 THR N N 58 116.096 116.318 -0.222 1
1 619 . 3 1 1 A 59 59 SER H H 59 8.402 9.021 -0.619 1
1 620 . 3 1 1 A 59 59 SER HA H 59 4.050 4.254 -0.204 1
1 623 . 3 1 1 A 59 59 SER CA C 59 61.680 57.863 3.817 1
1 624 . 3 1 1 A 59 59 SER CB C 59 63.210 60.728 2.482 1
1 625 . 3 1 1 A 59 59 SER N N 59 114.556 123.786 -9.230 1
1 626 . 3 1 1 A 60 60 ARG H H 60 8.176 8.409 -0.233 1
1 627 . 3 1 1 A 60 60 ARG HA H 60 4.489 4.416 0.073 1
1 634 . 3 1 1 A 60 60 ARG CA C 60 54.960 56.544 -1.584 1
1 635 . 3 1 1 A 60 60 ARG CB C 60 29.846 30.774 -0.928 1
1 638 . 3 1 1 A 60 60 ARG N N 60 118.244 121.245 -3.001 1
1 639 . 3 1 1 A 61 61 TYR H H 61 7.617 7.258 0.359 1
1 640 . 3 1 1 A 61 61 TYR HA H 61 3.897 4.892 -0.995 1
1 647 . 3 1 1 A 61 61 TYR CA C 61 61.930 56.497 5.433 1
1 648 . 3 1 1 A 61 61 TYR CB C 61 38.670 39.761 -1.091 1
1 653 . 3 1 1 A 61 61 TYR N N 61 122.301 115.817 6.484 1
1 654 . 3 1 1 A 62 62 VAL H H 62 7.363 8.969 -1.606 1
1 655 . 3 1 1 A 62 62 VAL HA H 62 3.893 4.780 -0.887 1
1 663 . 3 1 1 A 62 62 VAL CA C 62 60.590 60.939 -0.349 1
1 664 . 3 1 1 A 62 62 VAL CB C 62 35.270 33.434 1.836 1
1 667 . 3 1 1 A 62 62 VAL N N 62 129.952 117.553 12.399 1
1 668 . 3 1 1 A 63 63 LEU H H 63 7.852 8.865 -1.013 1
1 669 . 3 1 1 A 63 63 LEU HA H 63 4.558 4.751 -0.193 1
1 679 . 3 1 1 A 63 63 LEU CA C 63 51.980 55.407 -3.427 1
1 680 . 3 1 1 A 63 63 LEU CB C 63 42.600 42.681 -0.081 1
1 684 . 3 1 1 A 63 63 LEU N N 63 128.635 128.828 -0.193 1
1 685 . 3 1 1 A 64 64 LYS H H 64 8.770 8.635 0.135 1
1 686 . 3 1 1 A 64 64 LYS HA H 64 3.722 4.552 -0.830 1
1 695 . 3 1 1 A 64 64 LYS CA C 64 57.360 56.674 0.686 1
1 696 . 3 1 1 A 64 64 LYS CB C 64 32.381 33.172 -0.791 1
1 700 . 3 1 1 A 64 64 LYS N N 64 130.633 127.081 3.552 1
1 701 . 3 1 1 A 65 65 ALA H H 65 8.628 8.433 0.195 1
1 702 . 3 1 1 A 65 65 ALA HA H 65 3.557 4.011 -0.454 1
1 706 . 3 1 1 A 65 65 ALA CA C 65 53.700 53.801 -0.101 1
1 707 . 3 1 1 A 65 65 ALA CB C 65 18.660 18.293 0.367 1
1 708 . 3 1 1 A 65 65 ALA N N 65 123.214 125.323 -2.109 1
1 709 . 3 1 1 A 66 66 GLY H H 66 7.505 8.736 -1.231 1
1 710 . 3 1 1 A 66 66 GLY HA2 H 66 4.020 3.850 0.170 1
1 711 . 3 1 1 A 66 66 GLY HA3 H 66 4.020 3.852 0.168 1
1 712 . 3 1 1 A 66 66 GLY CA C 66 46.864 46.106 0.758 1
1 713 . 3 1 1 A 66 66 GLY N N 66 112.913 111.037 1.876 1
1 714 . 3 1 1 A 67 67 GLN H H 67 8.136 7.814 0.322 1
1 715 . 3 1 1 A 67 67 GLN HA H 67 4.436 4.506 -0.070 1
1 722 . 3 1 1 A 67 67 GLN CA C 67 55.029 55.182 -0.153 1
1 723 . 3 1 1 A 67 67 GLN CB C 67 29.700 30.157 -0.457 1
1 725 . 3 1 1 A 67 67 GLN N N 67 118.759 121.303 -2.544 1
1 727 . 3 1 1 A 68 68 THR H H 68 8.066 8.437 -0.371 1
1 728 . 3 1 1 A 68 68 THR HA H 68 5.414 5.023 0.391 1
1 733 . 3 1 1 A 68 68 THR CA C 68 60.050 60.392 -0.342 1
1 734 . 3 1 1 A 68 68 THR CB C 68 72.052 70.511 1.541 1
1 736 . 3 1 1 A 68 68 THR N N 68 111.842 115.346 -3.504 1
1 737 . 3 1 1 A 69 69 VAL H H 69 8.780 9.000 -0.220 1
1 738 . 3 1 1 A 69 69 VAL HA H 69 4.989 5.032 -0.043 1
1 746 . 3 1 1 A 69 69 VAL CA C 69 59.265 60.398 -1.133 1
1 747 . 3 1 1 A 69 69 VAL CB C 69 33.600 34.805 -1.205 1
1 750 . 3 1 1 A 69 69 VAL N N 69 120.958 122.322 -1.364 1
1 751 . 3 1 1 A 70 70 THR H H 70 8.660 8.741 -0.081 1
1 752 . 3 1 1 A 70 70 THR HA H 70 4.618 5.086 -0.468 1
1 757 . 3 1 1 A 70 70 THR CA C 70 61.730 61.913 -0.183 1
1 758 . 3 1 1 A 70 70 THR CB C 70 69.550 70.243 -0.693 1
1 760 . 3 1 1 A 70 70 THR N N 70 125.533 124.346 1.187 1
1 761 . 3 1 1 A 71 71 ILE H H 71 8.994 9.417 -0.423 1
1 762 . 3 1 1 A 71 71 ILE HA H 71 4.369 5.029 -0.660 1
1 772 . 3 1 1 A 71 71 ILE CA C 71 59.162 60.320 -1.158 1
1 773 . 3 1 1 A 71 71 ILE CB C 71 36.826 38.463 -1.637 1
1 777 . 3 1 1 A 71 71 ILE N N 71 127.838 127.026 0.812 1
1 778 . 3 1 1 A 72 72 TRP H H 72 9.270 9.192 0.078 1
1 779 . 3 1 1 A 72 72 TRP HA H 72 5.167 5.135 0.032 1
1 788 . 3 1 1 A 72 72 TRP CA C 72 56.180 56.932 -0.752 1
1 789 . 3 1 1 A 72 72 TRP CB C 72 31.490 30.821 0.669 1
1 795 . 3 1 1 A 72 72 TRP N N 72 127.112 129.015 -1.903 1
1 797 . 3 1 1 A 73 73 ALA H H 73 9.010 8.597 0.413 1
1 798 . 3 1 1 A 73 73 ALA HA H 73 4.617 4.487 0.130 1
1 802 . 3 1 1 A 73 73 ALA CA C 73 52.110 52.548 -0.438 1
1 803 . 3 1 1 A 73 73 ALA CB C 73 19.070 19.434 -0.364 1
1 804 . 3 1 1 A 73 73 ALA N N 73 122.140 126.675 -4.535 1
1 805 . 3 1 1 A 74 74 ALA H H 74 9.002 8.491 0.511 1
1 806 . 3 1 1 A 74 74 ALA HA H 74 4.042 4.114 -0.072 1
1 810 . 3 1 1 A 74 74 ALA CA C 74 54.650 55.473 -0.823 1
1 811 . 3 1 1 A 74 74 ALA CB C 74 18.070 18.624 -0.554 1
1 812 . 3 1 1 A 74 74 ALA N N 74 123.213 122.740 0.473 1
1 813 . 3 1 1 A 75 75 ASN H H 75 8.162 8.007 0.155 1
1 814 . 3 1 1 A 75 75 ASN HA H 75 5.015 4.977 0.038 1
1 819 . 3 1 1 A 75 75 ASN CA C 75 51.650 52.167 -0.517 1
1 820 . 3 1 1 A 75 75 ASN CB C 75 36.590 36.959 -0.369 1
1 821 . 3 1 1 A 75 75 ASN N N 75 112.259 114.607 -2.348 1
1 823 . 3 1 1 A 76 76 ALA H H 76 7.605 8.467 -0.862 1
1 824 . 3 1 1 A 76 76 ALA HA H 76 4.281 4.561 -0.280 1
1 828 . 3 1 1 A 76 76 ALA CA C 76 53.203 51.418 1.785 1
1 829 . 3 1 1 A 76 76 ALA CB C 76 20.210 20.050 0.160 1
1 830 . 3 1 1 A 76 76 ALA N N 76 120.777 125.235 -4.458 1
1 831 . 3 1 1 A 77 77 GLY H H 77 8.449 8.186 0.263 1
1 832 . 3 1 1 A 77 77 GLY HA2 H 77 3.960 3.929 0.031 1
1 833 . 3 1 1 A 77 77 GLY HA3 H 77 3.537 3.937 -0.400 1
1 834 . 3 1 1 A 77 77 GLY CA C 77 45.410 46.168 -0.758 1
1 835 . 3 1 1 A 77 77 GLY N N 77 107.064 108.623 -1.559 1
1 836 . 3 1 1 A 78 78 VAL H H 78 7.286 7.661 -0.375 1
1 837 . 3 1 1 A 78 78 VAL HA H 78 3.804 4.187 -0.383 1
1 845 . 3 1 1 A 78 78 VAL CA C 78 60.736 60.941 -0.205 1
1 846 . 3 1 1 A 78 78 VAL CB C 78 33.590 33.017 0.573 1
1 849 . 3 1 1 A 78 78 VAL N N 78 120.566 118.429 2.137 1
1 850 . 3 1 1 A 79 79 THR H H 79 8.148 8.383 -0.235 1
1 851 . 3 1 1 A 79 79 THR HA H 79 4.145 4.579 -0.434 1
1 856 . 3 1 1 A 79 79 THR CA C 79 61.395 60.780 0.615 1
1 857 . 3 1 1 A 79 79 THR CB C 79 69.620 70.837 -1.217 1
1 859 . 3 1 1 A 79 79 THR N N 79 121.617 114.247 7.370 1
1 860 . 3 1 1 A 80 80 ALA H H 80 8.593 8.474 0.119 1
1 861 . 3 1 1 A 80 80 ALA HA H 80 3.703 4.431 -0.728 1
1 865 . 3 1 1 A 80 80 ALA CA C 80 53.410 51.394 2.016 1
1 866 . 3 1 1 A 80 80 ALA CB C 80 19.180 18.428 0.752 1
1 867 . 3 1 1 A 80 80 ALA N N 80 126.311 125.153 1.158 1
1 868 . 3 1 1 A 81 81 SER H H 81 9.101 8.402 0.699 1
1 869 . 3 1 1 A 81 81 SER HA H 81 4.747 4.089 0.658 1
1 872 . 3 1 1 A 81 81 SER CA C 81 55.046 59.070 -4.024 1
1 873 . 3 1 1 A 81 81 SER CB C 81 62.680 61.569 1.111 1
1 874 . 3 1 1 A 81 81 SER N N 81 114.816 119.400 -4.584 1
1 875 . 3 1 1 A 82 82 PRO HA H 82 4.328 4.296 0.032 1
1 882 . 3 1 1 A 82 82 PRO CA C 82 62.158 65.375 -3.217 1
1 883 . 3 1 1 A 82 82 PRO CB C 82 30.480 31.480 -1.000 1
1 886 . 3 1 1 A 83 83 PRO HA H 83 4.821 4.641 0.180 1
1 893 . 3 1 1 A 83 83 PRO CA C 83 64.384 62.296 2.088 1
1 894 . 3 1 1 A 83 83 PRO CB C 83 34.750 32.482 2.268 1
1 897 . 3 1 1 A 84 84 THR H H 84 8.007 8.641 -0.634 1
1 898 . 3 1 1 A 84 84 THR HA H 84 4.567 4.441 0.126 1
1 903 . 3 1 1 A 84 84 THR CA C 84 64.770 62.590 2.180 1
1 904 . 3 1 1 A 84 84 THR CB C 84 69.370 71.910 -2.540 1
1 906 . 3 1 1 A 84 84 THR N N 84 114.629 114.780 -0.151 1
1 907 . 3 1 1 A 85 85 ASP H H 85 7.952 8.003 -0.051 1
1 908 . 3 1 1 A 85 85 ASP HA H 85 5.950 5.261 0.689 1
1 911 . 3 1 1 A 85 85 ASP CA C 85 54.110 53.394 0.716 1
1 912 . 3 1 1 A 85 85 ASP CB C 85 43.510 45.283 -1.773 1
1 913 . 3 1 1 A 85 85 ASP N N 85 124.539 120.172 4.367 1
1 914 . 3 1 1 A 86 86 LEU H H 86 9.271 9.176 0.095 1
1 915 . 3 1 1 A 86 86 LEU HA H 86 4.953 5.164 -0.211 1
1 925 . 3 1 1 A 86 86 LEU CA C 86 52.230 53.494 -1.264 1
1 926 . 3 1 1 A 86 86 LEU CB C 86 44.070 44.555 -0.485 1
1 930 . 3 1 1 A 86 86 LEU N N 86 124.265 121.818 2.447 1
1 931 . 3 1 1 A 87 87 ILE H H 87 8.691 9.015 -0.324 1
1 932 . 3 1 1 A 87 87 ILE HA H 87 4.802 4.833 -0.031 1
1 942 . 3 1 1 A 87 87 ILE CA C 87 58.694 60.528 -1.834 1
1 943 . 3 1 1 A 87 87 ILE CB C 87 37.945 38.548 -0.603 1
1 947 . 3 1 1 A 87 87 ILE N N 87 119.475 123.553 -4.078 1
1 948 . 3 1 1 A 88 88 TRP H H 88 9.755 9.309 0.446 1
1 949 . 3 1 1 A 88 88 TRP HA H 88 4.918 4.345 0.573 1
1 958 . 3 1 1 A 88 88 TRP CA C 88 54.900 55.084 -0.184 1
1 959 . 3 1 1 A 88 88 TRP CB C 88 27.270 28.826 -1.556 1
1 965 . 3 1 1 A 88 88 TRP N N 88 132.610 129.856 2.754 1
1 967 . 3 1 1 A 89 89 LYS H H 89 8.282 8.207 0.075 1
1 968 . 3 1 1 A 89 89 LYS HA H 89 3.996 4.314 -0.318 1
1 977 . 3 1 1 A 89 89 LYS CA C 89 58.847 58.542 0.305 1
1 978 . 3 1 1 A 89 89 LYS CB C 89 32.360 32.235 0.125 1
1 982 . 3 1 1 A 89 89 LYS N N 89 125.513 126.470 -0.957 1
1 983 . 3 1 1 A 90 90 ASN H H 90 8.810 8.408 0.402 1
1 984 . 3 1 1 A 90 90 ASN HA H 90 4.434 4.763 -0.329 1
1 989 . 3 1 1 A 90 90 ASN CA C 90 54.010 55.169 -1.159 1
1 990 . 3 1 1 A 90 90 ASN CB C 90 37.770 38.619 -0.849 1
1 991 . 3 1 1 A 90 90 ASN N N 90 114.946 115.905 -0.959 1
1 993 . 3 1 1 A 91 91 GLN H H 91 7.546 7.059 0.487 1
1 994 . 3 1 1 A 91 91 GLN HA H 91 4.412 4.736 -0.324 1
1 1001 . 3 1 1 A 91 91 GLN CA C 91 53.520 54.958 -1.438 1
1 1002 . 3 1 1 A 91 91 GLN CB C 91 28.470 31.416 -2.946 1
1 1004 . 3 1 1 A 91 91 GLN N N 91 117.746 118.250 -0.504 1
1 1006 . 3 1 1 A 92 92 ASN H H 92 8.451 8.680 -0.229 1
1 1007 . 3 1 1 A 92 92 ASN HA H 92 4.876 4.819 0.057 1
1 1012 . 3 1 1 A 92 92 ASN CA C 92 52.080 53.210 -1.130 1
1 1013 . 3 1 1 A 92 92 ASN CB C 92 39.400 39.614 -0.214 1
1 1014 . 3 1 1 A 92 92 ASN N N 92 123.697 124.072 -0.375 1
1 1016 . 3 1 1 A 93 93 SER H H 93 9.337 8.641 0.696 1
1 1017 . 3 1 1 A 93 93 SER HA H 93 3.977 4.564 -0.587 1
1 1020 . 3 1 1 A 93 93 SER CA C 93 58.940 58.253 0.687 1
1 1021 . 3 1 1 A 93 93 SER CB C 93 62.940 63.786 -0.846 1
1 1022 . 3 1 1 A 93 93 SER N N 93 117.010 116.856 0.154 1
1 1023 . 3 1 1 A 94 94 TRP H H 94 7.857 8.475 -0.618 1
1 1024 . 3 1 1 A 94 94 TRP HA H 94 4.905 5.705 -0.800 1
1 1033 . 3 1 1 A 94 94 TRP CA C 94 56.770 54.845 1.925 1
1 1034 . 3 1 1 A 94 94 TRP CB C 94 27.900 32.592 -4.692 1
1 1039 . 3 1 1 A 94 94 TRP N N 94 120.449 121.980 -1.531 1
1 1041 . 3 1 1 A 95 95 GLY H H 95 7.795 8.597 -0.802 1
1 1042 . 3 1 1 A 95 95 GLY HA2 H 95 3.953 4.316 -0.363 1
1 1043 . 3 1 1 A 95 95 GLY HA3 H 95 3.763 4.338 -0.575 1
1 1044 . 3 1 1 A 95 95 GLY CA C 95 45.487 45.803 -0.316 1
1 1045 . 3 1 1 A 95 95 GLY N N 95 109.481 106.378 3.103 1
1 1046 . 3 1 1 A 96 96 THR H H 96 8.028 8.278 -0.250 1
1 1047 . 3 1 1 A 96 96 THR HA H 96 4.696 4.506 0.190 1
1 1052 . 3 1 1 A 96 96 THR CA C 96 60.880 62.342 -1.462 1
1 1053 . 3 1 1 A 96 96 THR CB C 96 70.040 71.516 -1.476 1
1 1055 . 3 1 1 A 96 96 THR N N 96 112.538 117.007 -4.469 1
1 1056 . 3 1 1 A 97 97 GLY H H 97 8.443 8.214 0.229 1
1 1057 . 3 1 1 A 97 97 GLY HA2 H 97 3.482 3.846 -0.364 1
1 1058 . 3 1 1 A 97 97 GLY HA3 H 97 3.862 4.033 -0.171 1
1 1059 . 3 1 1 A 97 97 GLY CA C 97 45.945 45.852 0.093 1
1 1060 . 3 1 1 A 97 97 GLY N N 97 111.464 110.228 1.236 1
1 1061 . 3 1 1 A 98 98 GLU H H 98 8.010 8.010 0.000 1
1 1062 . 3 1 1 A 98 98 GLU HA H 98 4.471 4.719 -0.248 1
1 1067 . 3 1 1 A 98 98 GLU CA C 98 54.730 55.349 -0.619 1
1 1068 . 3 1 1 A 98 98 GLU CB C 98 30.719 30.953 -0.234 1
1 1070 . 3 1 1 A 98 98 GLU N N 98 118.563 119.614 -1.051 1
1 1071 . 3 1 1 A 99 99 ASP H H 99 8.680 8.768 -0.088 1
1 1072 . 3 1 1 A 99 99 ASP HA H 99 4.612 5.303 -0.691 1
1 1075 . 3 1 1 A 99 99 ASP CA C 99 54.451 54.359 0.092 1
1 1076 . 3 1 1 A 99 99 ASP CB C 99 39.540 40.032 -0.492 1
1 1077 . 3 1 1 A 99 99 ASP N N 99 122.219 123.545 -1.326 1
1 1078 . 3 1 1 A 100 100 VAL H H 100 8.215 8.395 -0.180 1
1 1079 . 3 1 1 A 100 100 VAL HA H 100 4.495 4.627 -0.132 1
1 1087 . 3 1 1 A 100 100 VAL CA C 100 60.920 61.426 -0.506 1
1 1088 . 3 1 1 A 100 100 VAL CB C 100 34.150 32.823 1.327 1
1 1091 . 3 1 1 A 100 100 VAL N N 100 123.901 125.191 -1.290 1
1 1092 . 3 1 1 A 101 101 LYS H H 101 8.600 8.969 -0.369 1
1 1093 . 3 1 1 A 101 101 LYS HA H 101 5.112 4.859 0.253 1
1 1102 . 3 1 1 A 101 101 LYS CA C 101 54.718 55.064 -0.346 1
1 1103 . 3 1 1 A 101 101 LYS CB C 101 35.326 34.403 0.923 1
1 1107 . 3 1 1 A 101 101 LYS N N 101 126.635 130.433 -3.798 1
1 1108 . 3 1 1 A 102 102 VAL H H 102 9.209 9.233 -0.024 1
1 1109 . 3 1 1 A 102 102 VAL HA H 102 5.405 4.841 0.564 1
1 1117 . 3 1 1 A 102 102 VAL CA C 102 59.950 61.098 -1.148 1
1 1118 . 3 1 1 A 102 102 VAL CB C 102 34.420 34.360 0.060 1
1 1121 . 3 1 1 A 102 102 VAL N N 102 125.573 126.688 -1.115 1
1 1122 . 3 1 1 A 103 103 ILE H H 103 8.968 9.445 -0.477 1
1 1123 . 3 1 1 A 103 103 ILE HA H 103 4.671 4.823 -0.152 1
1 1133 . 3 1 1 A 103 103 ILE CA C 103 59.790 59.643 0.147 1
1 1134 . 3 1 1 A 103 103 ILE CB C 103 42.522 40.134 2.388 1
1 1138 . 3 1 1 A 103 103 ILE N N 103 125.593 127.244 -1.651 1
1 1139 . 3 1 1 A 104 104 LEU H H 104 9.017 8.748 0.269 1
1 1140 . 3 1 1 A 104 104 LEU HA H 104 5.361 5.025 0.336 1
1 1150 . 3 1 1 A 104 104 LEU CA C 104 52.800 53.903 -1.103 1
1 1151 . 3 1 1 A 104 104 LEU CB C 104 46.200 42.681 3.519 1
1 1155 . 3 1 1 A 104 104 LEU N N 104 127.791 127.924 -0.133 1
1 1156 . 3 1 1 A 105 105 LYS H H 105 9.674 8.525 1.149 1
1 1157 . 3 1 1 A 105 105 LYS HA H 105 5.194 4.849 0.345 1
1 1166 . 3 1 1 A 105 105 LYS CA C 105 53.780 54.244 -0.464 1
1 1167 . 3 1 1 A 105 105 LYS CB C 105 36.330 35.489 0.841 1
1 1171 . 3 1 1 A 105 105 LYS N N 105 126.536 124.217 2.319 1
1 1172 . 3 1 1 A 106 106 ASN H H 106 7.774 9.206 -1.432 1
1 1173 . 3 1 1 A 106 106 ASN HA H 106 2.714 5.000 -2.286 1
1 1178 . 3 1 1 A 106 106 ASN CA C 106 49.530 52.879 -3.349 1
1 1179 . 3 1 1 A 106 106 ASN CB C 106 36.940 39.479 -2.539 1
1 1180 . 3 1 1 A 106 106 ASN N N 106 116.550 121.168 -4.618 1
1 1182 . 3 1 1 A 107 107 SER H H 107 6.988 9.111 -2.123 1
1 1183 . 3 1 1 A 107 107 SER HA H 107 4.092 4.199 -0.107 1
1 1186 . 3 1 1 A 107 107 SER CA C 107 60.490 61.858 -1.368 1
1 1187 . 3 1 1 A 107 107 SER CB C 107 62.510 62.783 -0.273 1
1 1188 . 3 1 1 A 107 107 SER N N 107 112.400 117.033 -4.633 1
1 1189 . 3 1 1 A 108 108 GLN H H 108 7.414 7.895 -0.481 1
1 1190 . 3 1 1 A 108 108 GLN HA H 108 4.404 4.366 0.038 1
1 1197 . 3 1 1 A 108 108 GLN CA C 108 55.470 55.653 -0.183 1
1 1198 . 3 1 1 A 108 108 GLN CB C 108 28.400 28.811 -0.411 1
1 1200 . 3 1 1 A 108 108 GLN N N 108 119.000 117.797 1.203 1
1 1202 . 3 1 1 A 109 109 GLY H H 109 7.835 8.162 -0.327 1
1 1203 . 3 1 1 A 109 109 GLY HA2 H 109 4.136 3.960 0.176 1
1 1204 . 3 1 1 A 109 109 GLY HA3 H 109 3.530 3.966 -0.436 1
1 1205 . 3 1 1 A 109 109 GLY CA C 109 45.549 44.981 0.568 1
1 1206 . 3 1 1 A 109 109 GLY N N 109 107.333 107.755 -0.422 1
1 1207 . 3 1 1 A 110 110 GLU H H 110 7.562 7.977 -0.415 1
1 1208 . 3 1 1 A 110 110 GLU HA H 110 4.209 4.327 -0.118 1
1 1213 . 3 1 1 A 110 110 GLU CA C 110 54.320 56.480 -2.160 1
1 1214 . 3 1 1 A 110 110 GLU CB C 110 29.760 30.307 -0.547 1
1 1216 . 3 1 1 A 110 110 GLU N N 110 120.137 120.631 -0.494 1
1 1217 . 3 1 1 A 111 111 GLU H H 111 8.799 8.442 0.357 1
1 1218 . 3 1 1 A 111 111 GLU HA H 111 4.194 4.583 -0.389 1
1 1223 . 3 1 1 A 111 111 GLU CA C 111 57.160 55.408 1.752 1
1 1224 . 3 1 1 A 111 111 GLU CB C 111 29.175 31.492 -2.317 1
1 1226 . 3 1 1 A 111 111 GLU N N 111 123.867 123.961 -0.094 1
1 1227 . 3 1 1 A 112 112 VAL H H 112 9.093 8.118 0.975 1
1 1228 . 3 1 1 A 112 112 VAL HA H 112 4.330 3.947 0.383 1
1 1236 . 3 1 1 A 112 112 VAL CA C 112 61.529 63.142 -1.613 1
1 1237 . 3 1 1 A 112 112 VAL CB C 112 33.230 31.965 1.265 1
1 1240 . 3 1 1 A 112 112 VAL N N 112 122.642 121.936 0.706 1
1 1241 . 3 1 1 A 113 113 ALA H H 113 7.793 6.866 0.927 1
1 1242 . 3 1 1 A 113 113 ALA HA H 113 4.770 4.576 0.194 1
1 1246 . 3 1 1 A 113 113 ALA CA C 113 52.449 51.688 0.761 1
1 1247 . 3 1 1 A 113 113 ALA CB C 113 22.400 22.204 0.196 1
1 1248 . 3 1 1 A 113 113 ALA N N 113 121.070 120.775 0.295 1
1 1249 . 3 1 1 A 114 114 GLN H H 114 8.450 8.552 -0.102 1
1 1250 . 3 1 1 A 114 114 GLN HA H 114 5.404 5.097 0.307 1
1 1257 . 3 1 1 A 114 114 GLN CA C 114 54.830 54.731 0.099 1
1 1258 . 3 1 1 A 114 114 GLN CB C 114 32.307 31.073 1.234 1
1 1260 . 3 1 1 A 114 114 GLN N N 114 115.851 120.291 -4.440 1
1 1262 . 3 1 1 A 115 115 ARG H H 115 8.989 8.593 0.396 1
1 1263 . 3 1 1 A 115 115 ARG HA H 115 4.555 4.770 -0.215 1
1 1270 . 3 1 1 A 115 115 ARG CA C 115 56.350 55.490 0.860 1
1 1271 . 3 1 1 A 115 115 ARG CB C 115 33.730 34.221 -0.491 1
1 1274 . 3 1 1 A 115 115 ARG N N 115 122.920 122.072 0.848 1
1 1275 . 3 1 1 A 116 116 SER H H 116 8.511 8.787 -0.276 1
1 1276 . 3 1 1 A 116 116 SER HA H 116 5.756 5.148 0.608 1
1 1279 . 3 1 1 A 116 116 SER CA C 116 56.400 55.862 0.538 1
1 1280 . 3 1 1 A 116 116 SER CB C 116 65.770 65.698 0.072 1
1 1281 . 3 1 1 A 116 116 SER N N 116 119.807 118.441 1.366 1
1 1282 . 3 1 1 A 117 117 THR H H 117 8.801 8.155 0.646 1
1 1283 . 3 1 1 A 117 117 THR HA H 117 4.378 4.375 0.003 1
1 1288 . 3 1 1 A 117 117 THR CA C 117 62.160 61.719 0.441 1
1 1289 . 3 1 1 A 117 117 THR CB C 117 70.010 69.945 0.065 1
1 1291 . 3 1 1 A 117 117 THR N N 117 116.435 113.000 3.435 1
1 1292 . 3 1 1 A 118 118 VAL H H 118 8.165 8.322 -0.157 1
1 1293 . 3 1 1 A 118 118 VAL HA H 118 4.227 4.494 -0.267 1
1 1301 . 3 1 1 A 118 118 VAL CA C 118 61.320 59.906 1.414 1
1 1302 . 3 1 1 A 118 118 VAL CB C 118 32.931 35.056 -2.125 1
1 1305 . 3 1 1 A 118 118 VAL N N 118 122.111 120.109 2.002 1
1 1306 . 3 1 1 A 119 119 PHE H H 119 8.580 8.666 -0.086 1
1 1307 . 3 1 1 A 119 119 PHE HA H 119 4.655 4.880 -0.225 1
1 1314 . 3 1 1 A 119 119 PHE CA C 119 57.520 57.825 -0.305 1
1 1315 . 3 1 1 A 119 119 PHE CB C 119 39.550 39.244 0.306 1
1 1320 . 3 1 1 A 119 119 PHE N N 119 126.006 129.006 -3.000 1
1 1321 . 3 1 1 A 120 120 LYS H H 120 8.346 8.905 -0.559 1
1 1322 . 3 1 1 A 120 120 LYS HA H 120 4.432 4.725 -0.293 1
1 1331 . 3 1 1 A 120 120 LYS CA C 120 55.740 56.120 -0.380 1
1 1332 . 3 1 1 A 120 120 LYS CB C 120 33.290 33.002 0.288 1
1 1336 . 3 1 1 A 120 120 LYS N N 120 124.095 125.782 -1.687 1
1 1337 . 3 1 1 A 121 121 THR H H 121 8.294 8.595 -0.301 1
1 1338 . 3 1 1 A 121 121 THR HA H 121 4.394 4.601 -0.207 1
1 1343 . 3 1 1 A 121 121 THR CA C 121 61.610 61.325 0.285 1
1 1344 . 3 1 1 A 121 121 THR CB C 121 69.640 69.278 0.362 1
1 1346 . 3 1 1 A 121 121 THR N N 121 116.359 118.127 -1.768 1
1 1 . 4 1 1 A 3 3 HIS H H 3 8.528 8.674 -0.146 1
1 2 . 4 1 1 A 3 3 HIS HA H 3 4.626 4.699 -0.073 1
1 5 . 4 1 1 A 3 3 HIS CA C 3 55.260 55.545 -0.285 1
1 6 . 4 1 1 A 3 3 HIS CB C 3 29.250 30.119 -0.869 1
1 7 . 4 1 1 A 3 3 HIS N N 3 118.990 120.098 -1.108 1
1 8 . 4 1 1 A 4 4 HIS H H 4 8.528 7.445 1.083 1
1 9 . 4 1 1 A 4 4 HIS HA H 4 4.624 4.853 -0.229 1
1 12 . 4 1 1 A 4 4 HIS CA C 4 55.277 54.239 1.038 1
1 13 . 4 1 1 A 4 4 HIS CB C 4 29.002 31.150 -2.148 1
1 14 . 4 1 1 A 4 4 HIS N N 4 118.990 117.903 1.087 1
1 15 . 4 1 1 A 5 5 HIS H H 5 8.579 8.566 0.013 1
1 16 . 4 1 1 A 5 5 HIS HA H 5 4.737 4.495 0.242 1
1 19 . 4 1 1 A 5 5 HIS CA C 5 55.330 58.644 -3.314 1
1 20 . 4 1 1 A 5 5 HIS CB C 5 29.257 30.908 -1.651 1
1 21 . 4 1 1 A 5 5 HIS N N 5 119.720 123.181 -3.461 1
1 22 . 4 1 1 A 6 6 HIS H H 6 8.603 7.651 0.952 1
1 23 . 4 1 1 A 6 6 HIS HA H 6 4.674 4.854 -0.180 1
1 26 . 4 1 1 A 6 6 HIS CA C 6 55.150 54.148 1.002 1
1 27 . 4 1 1 A 6 6 HIS CB C 6 27.340 31.717 -4.377 1
1 28 . 4 1 1 A 6 6 HIS N N 6 121.420 114.200 7.220 1
1 29 . 4 1 1 A 7 7 HIS H H 7 8.706 8.575 0.131 1
1 30 . 4 1 1 A 7 7 HIS HA H 7 4.658 5.540 -0.882 1
1 33 . 4 1 1 A 7 7 HIS CA C 7 55.100 53.842 1.258 1
1 34 . 4 1 1 A 7 7 HIS CB C 7 29.300 32.156 -2.856 1
1 35 . 4 1 1 A 7 7 HIS N N 7 121.200 117.724 3.476 1
1 36 . 4 1 1 A 8 8 HIS H H 8 8.706 8.827 -0.121 1
1 37 . 4 1 1 A 8 8 HIS HA H 8 4.706 5.051 -0.345 1
1 40 . 4 1 1 A 8 8 HIS CA C 8 55.156 54.794 0.362 1
1 41 . 4 1 1 A 8 8 HIS CB C 8 29.396 33.214 -3.818 1
1 42 . 4 1 1 A 8 8 HIS N N 8 121.200 124.642 -3.442 1
1 43 . 4 1 1 A 9 9 SER H H 9 8.551 7.800 0.751 1
1 44 . 4 1 1 A 9 9 SER HA H 9 4.450 4.100 0.350 1
1 47 . 4 1 1 A 9 9 SER CA C 9 58.200 58.325 -0.125 1
1 48 . 4 1 1 A 9 9 SER CB C 9 63.740 63.156 0.584 1
1 49 . 4 1 1 A 9 9 SER N N 9 118.046 119.171 -1.125 1
1 50 . 4 1 1 A 10 10 HIS H H 10 8.770 8.515 0.255 1
1 51 . 4 1 1 A 10 10 HIS HA H 10 4.726 4.830 -0.104 1
1 54 . 4 1 1 A 10 10 HIS CA C 10 55.640 56.805 -1.165 1
1 55 . 4 1 1 A 10 10 HIS CB C 10 29.172 30.893 -1.721 1
1 56 . 4 1 1 A 10 10 HIS N N 10 120.412 125.993 -5.581 1
1 57 . 4 1 1 A 11 11 MET H H 11 8.528 8.855 -0.327 1
1 58 . 4 1 1 A 11 11 MET HA H 11 4.658 4.892 -0.234 1
1 66 . 4 1 1 A 11 11 MET CA C 11 55.438 54.500 0.938 1
1 67 . 4 1 1 A 11 11 MET CB C 11 33.090 37.629 -4.539 1
1 70 . 4 1 1 A 11 11 MET N N 11 122.400 120.236 2.164 1
1 71 . 4 1 1 A 12 12 THR H H 12 8.339 8.678 -0.339 1
1 72 . 4 1 1 A 12 12 THR HA H 12 4.450 4.129 0.321 1
1 77 . 4 1 1 A 12 12 THR CA C 12 61.810 63.622 -1.812 1
1 78 . 4 1 1 A 12 12 THR CB C 12 70.450 69.829 0.621 1
1 80 . 4 1 1 A 12 12 THR N N 12 115.700 115.096 0.604 1
1 81 . 4 1 1 A 13 13 GLY H H 13 8.426 8.109 0.317 1
1 82 . 4 1 1 A 13 13 GLY HA2 H 13 4.287 4.056 0.231 1
1 83 . 4 1 1 A 13 13 GLY HA3 H 13 3.877 4.278 -0.401 1
1 84 . 4 1 1 A 13 13 GLY CA C 13 45.243 46.947 -1.704 1
1 85 . 4 1 1 A 13 13 GLY N N 13 110.872 110.827 0.045 1
1 86 . 4 1 1 A 14 14 ASN H H 14 8.374 8.403 -0.029 1
1 87 . 4 1 1 A 14 14 ASN HA H 14 4.720 4.907 -0.187 1
1 92 . 4 1 1 A 14 14 ASN CA C 14 54.200 52.761 1.439 1
1 93 . 4 1 1 A 14 14 ASN CB C 14 39.210 36.996 2.214 1
1 94 . 4 1 1 A 14 14 ASN N N 14 117.789 117.436 0.353 1
1 96 . 4 1 1 A 15 15 VAL H H 15 7.890 7.983 -0.093 1
1 97 . 4 1 1 A 15 15 VAL HA H 15 4.843 4.463 0.380 1
1 105 . 4 1 1 A 15 15 VAL CA C 15 61.759 61.997 -0.238 1
1 106 . 4 1 1 A 15 15 VAL CB C 15 33.230 31.399 1.831 1
1 109 . 4 1 1 A 15 15 VAL N N 15 118.720 120.889 -2.169 1
1 110 . 4 1 1 A 16 16 CYS H H 16 9.060 9.033 0.027 1
1 111 . 4 1 1 A 16 16 CYS HA H 16 4.899 5.303 -0.404 1
1 114 . 4 1 1 A 16 16 CYS CA C 16 54.620 56.568 -1.948 1
1 115 . 4 1 1 A 16 16 CYS CB C 16 30.900 31.012 -0.112 1
1 116 . 4 1 1 A 16 16 CYS N N 16 122.674 125.896 -3.222 1
1 117 . 4 1 1 A 17 17 ILE H H 17 8.845 8.738 0.107 1
1 118 . 4 1 1 A 17 17 ILE HA H 17 4.153 4.124 0.029 1
1 128 . 4 1 1 A 17 17 ILE CA C 17 61.080 62.429 -1.349 1
1 129 . 4 1 1 A 17 17 ILE CB C 17 36.397 37.739 -1.342 1
1 133 . 4 1 1 A 17 17 ILE N N 17 122.609 122.615 -0.006 1
1 134 . 4 1 1 A 18 18 GLU H H 18 8.917 9.354 -0.437 1
1 135 . 4 1 1 A 18 18 GLU HA H 18 4.230 4.379 -0.149 1
1 140 . 4 1 1 A 18 18 GLU CA C 18 57.160 58.238 -1.078 1
1 141 . 4 1 1 A 18 18 GLU CB C 18 30.550 30.648 -0.098 1
1 143 . 4 1 1 A 18 18 GLU N N 18 130.894 128.672 2.222 1
1 144 . 4 1 1 A 19 19 GLU H H 19 7.853 7.627 0.226 1
1 145 . 4 1 1 A 19 19 GLU HA H 19 4.470 4.810 -0.340 1
1 150 . 4 1 1 A 19 19 GLU CA C 19 56.110 55.743 0.367 1
1 151 . 4 1 1 A 19 19 GLU CB C 19 33.847 33.284 0.563 1
1 153 . 4 1 1 A 19 19 GLU N N 19 115.069 118.291 -3.222 1
1 154 . 4 1 1 A 20 20 ILE H H 20 8.744 9.073 -0.329 1
1 155 . 4 1 1 A 20 20 ILE HA H 20 4.080 4.626 -0.546 1
1 165 . 4 1 1 A 20 20 ILE CA C 20 60.619 60.139 0.480 1
1 166 . 4 1 1 A 20 20 ILE CB C 20 39.170 40.107 -0.937 1
1 170 . 4 1 1 A 20 20 ILE N N 20 127.309 128.036 -0.727 1
1 171 . 4 1 1 A 21 21 ASP H H 21 7.468 8.503 -1.035 1
1 172 . 4 1 1 A 21 21 ASP HA H 21 3.949 4.503 -0.554 1
1 175 . 4 1 1 A 21 21 ASP CA C 21 54.970 54.406 0.564 1
1 176 . 4 1 1 A 21 21 ASP CB C 21 42.170 42.153 0.017 1
1 177 . 4 1 1 A 21 21 ASP N N 21 124.858 127.161 -2.303 1
1 178 . 4 1 1 A 22 22 VAL H H 22 8.650 8.692 -0.042 1
1 179 . 4 1 1 A 22 22 VAL HA H 22 3.998 4.129 -0.131 1
1 187 . 4 1 1 A 22 22 VAL CA C 22 64.445 64.232 0.213 1
1 188 . 4 1 1 A 22 22 VAL CB C 22 31.244 32.403 -1.159 1
1 191 . 4 1 1 A 22 22 VAL N N 22 130.172 124.791 5.381 1
1 192 . 4 1 1 A 23 23 ASP H H 23 7.482 7.838 -0.356 1
1 193 . 4 1 1 A 23 23 ASP HA H 23 4.711 4.506 0.205 1
1 196 . 4 1 1 A 23 23 ASP CA C 23 53.920 54.471 -0.551 1
1 197 . 4 1 1 A 23 23 ASP CB C 23 40.100 41.096 -0.996 1
1 198 . 4 1 1 A 23 23 ASP N N 23 118.547 119.953 -1.406 1
1 199 . 4 1 1 A 24 24 GLY H H 24 7.220 7.582 -0.362 1
1 200 . 4 1 1 A 24 24 GLY HA2 H 24 2.950 1.870 1.080 1
1 201 . 4 1 1 A 24 24 GLY HA3 H 24 2.407 3.103 -0.696 1
1 202 . 4 1 1 A 24 24 GLY CA C 24 45.040 44.473 0.567 1
1 203 . 4 1 1 A 24 24 GLY N N 24 105.293 106.746 -1.453 1
1 204 . 4 1 1 A 25 25 LYS H H 25 8.757 7.963 0.794 1
1 205 . 4 1 1 A 25 25 LYS HA H 25 3.964 4.221 -0.257 1
1 214 . 4 1 1 A 25 25 LYS CA C 25 56.590 57.331 -0.741 1
1 215 . 4 1 1 A 25 25 LYS CB C 25 33.660 33.503 0.157 1
1 219 . 4 1 1 A 25 25 LYS N N 25 111.753 117.321 -5.568 1
1 220 . 4 1 1 A 26 26 PHE H H 26 6.380 7.639 -1.259 1
1 221 . 4 1 1 A 26 26 PHE HA H 26 5.753 5.591 0.162 1
1 229 . 4 1 1 A 26 26 PHE CA C 26 56.370 56.309 0.061 1
1 230 . 4 1 1 A 26 26 PHE CB C 26 40.030 41.083 -1.053 1
1 236 . 4 1 1 A 26 26 PHE N N 26 110.097 114.136 -4.039 1
1 237 . 4 1 1 A 27 27 ILE H H 27 8.601 8.936 -0.335 1
1 238 . 4 1 1 A 27 27 ILE HA H 27 4.506 4.739 -0.233 1
1 248 . 4 1 1 A 27 27 ILE CA C 27 60.905 60.907 -0.002 1
1 249 . 4 1 1 A 27 27 ILE CB C 27 43.249 40.106 3.143 1
1 253 . 4 1 1 A 27 27 ILE N N 27 119.676 119.972 -0.296 1
1 254 . 4 1 1 A 28 28 ARG H H 28 9.290 9.025 0.265 1
1 255 . 4 1 1 A 28 28 ARG HA H 28 5.561 4.914 0.647 1
1 262 . 4 1 1 A 28 28 ARG CA C 28 54.650 55.412 -0.762 1
1 263 . 4 1 1 A 28 28 ARG CB C 28 34.180 31.742 2.438 1
1 266 . 4 1 1 A 28 28 ARG N N 28 127.516 129.502 -1.986 1
1 267 . 4 1 1 A 29 29 LEU H H 29 9.502 9.086 0.416 1
1 268 . 4 1 1 A 29 29 LEU HA H 29 5.306 4.928 0.378 1
1 278 . 4 1 1 A 29 29 LEU CA C 29 54.010 53.706 0.304 1
1 279 . 4 1 1 A 29 29 LEU CB C 29 44.020 42.986 1.034 1
1 283 . 4 1 1 A 29 29 LEU N N 29 126.696 127.192 -0.496 1
1 284 . 4 1 1 A 30 30 LYS H H 30 8.641 8.807 -0.166 1
1 285 . 4 1 1 A 30 30 LYS HA H 30 5.108 4.683 0.425 1
1 294 . 4 1 1 A 30 30 LYS CA C 30 54.660 55.912 -1.252 1
1 295 . 4 1 1 A 30 30 LYS CB C 30 38.070 36.195 1.875 1
1 299 . 4 1 1 A 30 30 LYS N N 30 118.761 120.866 -2.105 1
1 300 . 4 1 1 A 31 31 ASN H H 31 8.397 8.666 -0.269 1
1 301 . 4 1 1 A 31 31 ASN HA H 31 5.319 5.119 0.200 1
1 306 . 4 1 1 A 31 31 ASN CA C 31 50.690 52.387 -1.697 1
1 307 . 4 1 1 A 31 31 ASN CB C 31 37.490 38.629 -1.139 1
1 308 . 4 1 1 A 31 31 ASN N N 31 123.996 124.953 -0.957 1
1 310 . 4 1 1 A 32 32 THR H H 32 8.455 8.645 -0.190 1
1 311 . 4 1 1 A 32 32 THR HA H 32 4.302 4.532 -0.230 1
1 316 . 4 1 1 A 32 32 THR CA C 32 61.492 61.622 -0.130 1
1 317 . 4 1 1 A 32 32 THR CB C 32 68.110 69.173 -1.063 1
1 319 . 4 1 1 A 32 32 THR N N 32 115.755 117.328 -1.573 1
1 320 . 4 1 1 A 33 33 SER H H 33 8.487 7.568 0.919 1
1 321 . 4 1 1 A 33 33 SER HA H 33 4.793 4.484 0.309 1
1 324 . 4 1 1 A 33 33 SER CA C 33 57.500 57.833 -0.333 1
1 325 . 4 1 1 A 33 33 SER CB C 33 66.510 64.308 2.202 1
1 326 . 4 1 1 A 33 33 SER N N 33 120.037 119.125 0.912 1
1 327 . 4 1 1 A 34 34 GLU H H 34 8.355 8.718 -0.363 1
1 328 . 4 1 1 A 34 34 GLU HA H 34 4.335 4.257 0.078 1
1 333 . 4 1 1 A 34 34 GLU CA C 34 55.840 57.893 -2.053 1
1 334 . 4 1 1 A 34 34 GLU CB C 34 28.930 30.182 -1.252 1
1 336 . 4 1 1 A 34 34 GLU N N 34 116.545 123.040 -6.495 1
1 337 . 4 1 1 A 35 35 GLN H H 35 8.634 7.691 0.943 1
1 338 . 4 1 1 A 35 35 GLN HA H 35 4.664 4.812 -0.148 1
1 345 . 4 1 1 A 35 35 GLN CA C 35 53.740 53.877 -0.137 1
1 346 . 4 1 1 A 35 35 GLN CB C 35 31.696 32.123 -0.427 1
1 348 . 4 1 1 A 35 35 GLN N N 35 120.013 120.512 -0.499 1
1 350 . 4 1 1 A 36 36 ASP H H 36 8.859 8.726 0.133 1
1 351 . 4 1 1 A 36 36 ASP HA H 36 4.050 4.740 -0.690 1
1 354 . 4 1 1 A 36 36 ASP CA C 36 54.640 54.333 0.307 1
1 355 . 4 1 1 A 36 36 ASP CB C 36 40.120 40.641 -0.521 1
1 356 . 4 1 1 A 36 36 ASP N N 36 124.552 124.484 0.068 1
1 357 . 4 1 1 A 37 37 GLN H H 37 8.141 8.677 -0.536 1
1 358 . 4 1 1 A 37 37 GLN HA H 37 4.786 4.790 -0.004 1
1 365 . 4 1 1 A 37 37 GLN CA C 37 50.858 52.472 -1.614 1
1 366 . 4 1 1 A 37 37 GLN CB C 37 31.860 29.163 2.697 1
1 368 . 4 1 1 A 37 37 GLN N N 37 120.015 123.030 -3.015 1
1 370 . 4 1 1 A 38 38 PRO HA H 38 4.367 4.507 -0.140 1
1 377 . 4 1 1 A 38 38 PRO CA C 38 63.330 62.718 0.612 1
1 378 . 4 1 1 A 38 38 PRO CB C 38 31.750 32.014 -0.264 1
1 381 . 4 1 1 A 39 39 MET H H 39 8.392 8.314 0.078 1
1 382 . 4 1 1 A 39 39 MET HA H 39 2.792 3.584 -0.792 1
1 390 . 4 1 1 A 39 39 MET CA C 39 53.780 57.922 -4.142 1
1 391 . 4 1 1 A 39 39 MET CB C 39 34.410 32.728 1.682 1
1 394 . 4 1 1 A 39 39 MET N N 39 124.427 123.566 0.861 1
1 395 . 4 1 1 A 40 40 GLY H H 40 7.940 8.544 -0.604 1
1 396 . 4 1 1 A 40 40 GLY HA2 H 40 4.154 3.788 0.366 1
1 397 . 4 1 1 A 40 40 GLY HA3 H 40 3.763 3.887 -0.124 1
1 398 . 4 1 1 A 40 40 GLY CA C 40 48.114 46.150 1.964 1
1 399 . 4 1 1 A 40 40 GLY N N 40 108.664 107.016 1.648 1
1 400 . 4 1 1 A 41 41 GLY H H 41 7.959 8.116 -0.157 1
1 401 . 4 1 1 A 41 41 GLY HA2 H 41 4.323 3.684 0.639 1
1 402 . 4 1 1 A 41 41 GLY HA3 H 41 3.769 3.927 -0.158 1
1 403 . 4 1 1 A 41 41 GLY CA C 41 46.020 45.409 0.611 1
1 404 . 4 1 1 A 41 41 GLY N N 41 114.027 104.252 9.775 1
1 405 . 4 1 1 A 42 42 TRP H H 42 8.667 8.481 0.186 1
1 406 . 4 1 1 A 42 42 TRP HA H 42 4.408 5.000 -0.592 1
1 415 . 4 1 1 A 42 42 TRP CA C 42 58.925 56.877 2.048 1
1 416 . 4 1 1 A 42 42 TRP CB C 42 28.120 32.536 -4.416 1
1 422 . 4 1 1 A 42 42 TRP N N 42 122.097 122.257 -0.160 1
1 424 . 4 1 1 A 43 43 GLU H H 43 8.740 8.965 -0.225 1
1 425 . 4 1 1 A 43 43 GLU HA H 43 5.462 5.226 0.236 1
1 430 . 4 1 1 A 43 43 GLU CA C 43 54.410 55.754 -1.344 1
1 431 . 4 1 1 A 43 43 GLU CB C 43 33.980 33.772 0.208 1
1 433 . 4 1 1 A 43 43 GLU N N 43 120.300 121.298 -0.998 1
1 434 . 4 1 1 A 44 44 MET H H 44 9.658 9.237 0.421 1
1 435 . 4 1 1 A 44 44 MET HA H 44 5.488 5.143 0.345 1
1 443 . 4 1 1 A 44 44 MET CA C 44 53.360 54.055 -0.695 1
1 444 . 4 1 1 A 44 44 MET CB C 44 37.490 34.248 3.242 1
1 447 . 4 1 1 A 44 44 MET N N 44 126.477 126.248 0.229 1
1 448 . 4 1 1 A 45 45 ILE H H 45 9.658 8.927 0.731 1
1 449 . 4 1 1 A 45 45 ILE HA H 45 4.781 4.757 0.024 1
1 459 . 4 1 1 A 45 45 ILE CA C 45 60.413 60.464 -0.051 1
1 460 . 4 1 1 A 45 45 ILE CB C 45 40.804 38.946 1.858 1
1 464 . 4 1 1 A 45 45 ILE N N 45 127.329 127.546 -0.217 1
1 465 . 4 1 1 A 46 46 ARG H H 46 9.217 9.067 0.150 1
1 466 . 4 1 1 A 46 46 ARG HA H 46 5.083 5.204 -0.121 1
1 474 . 4 1 1 A 46 46 ARG CA C 46 53.760 54.603 -0.843 1
1 475 . 4 1 1 A 46 46 ARG CB C 46 33.559 33.901 -0.342 1
1 478 . 4 1 1 A 46 46 ARG N N 46 126.837 126.956 -0.119 1
1 480 . 4 1 1 A 47 47 LYS H H 47 9.876 8.880 0.996 1
1 481 . 4 1 1 A 47 47 LYS HA H 47 5.257 4.969 0.288 1
1 490 . 4 1 1 A 47 47 LYS CA C 47 55.260 54.954 0.306 1
1 491 . 4 1 1 A 47 47 LYS CB C 47 34.860 35.542 -0.682 1
1 495 . 4 1 1 A 47 47 LYS N N 47 132.271 126.256 6.015 1
1 496 . 4 1 1 A 48 48 ILE H H 48 7.909 8.605 -0.696 1
1 497 . 4 1 1 A 48 48 ILE HA H 48 4.360 4.370 -0.010 1
1 507 . 4 1 1 A 48 48 ILE CA C 48 61.132 62.774 -1.642 1
1 508 . 4 1 1 A 48 48 ILE CB C 48 40.316 41.260 -0.944 1
1 512 . 4 1 1 A 48 48 ILE N N 48 125.793 124.684 1.109 1
1 513 . 4 1 1 A 49 49 GLY H H 49 9.576 6.957 2.619 1
1 514 . 4 1 1 A 49 49 GLY HA2 H 49 4.021 4.138 -0.117 1
1 515 . 4 1 1 A 49 49 GLY HA3 H 49 3.730 4.142 -0.412 1
1 516 . 4 1 1 A 49 49 GLY CA C 49 46.910 45.842 1.068 1
1 517 . 4 1 1 A 49 49 GLY N N 49 120.665 109.089 11.576 1
1 518 . 4 1 1 A 50 50 ASP H H 50 8.935 8.859 0.076 1
1 519 . 4 1 1 A 50 50 ASP HA H 50 4.777 4.246 0.531 1
1 522 . 4 1 1 A 50 50 ASP CA C 50 54.000 56.214 -2.214 1
1 523 . 4 1 1 A 50 50 ASP CB C 50 40.520 38.550 1.970 1
1 524 . 4 1 1 A 50 50 ASP N N 50 126.343 122.950 3.393 1
1 525 . 4 1 1 A 51 51 THR H H 51 8.253 8.021 0.232 1
1 526 . 4 1 1 A 51 51 THR HA H 51 4.638 4.795 -0.157 1
1 531 . 4 1 1 A 51 51 THR CA C 51 61.690 59.861 1.829 1
1 532 . 4 1 1 A 51 51 THR CB C 51 71.080 71.843 -0.763 1
1 534 . 4 1 1 A 51 51 THR N N 51 115.167 114.903 0.264 1
1 535 . 4 1 1 A 52 52 SER H H 52 8.710 9.019 -0.309 1
1 536 . 4 1 1 A 52 52 SER HA H 52 5.318 5.429 -0.111 1
1 539 . 4 1 1 A 52 52 SER CA C 52 57.290 56.662 0.628 1
1 540 . 4 1 1 A 52 52 SER CB C 52 64.730 66.148 -1.418 1
1 541 . 4 1 1 A 52 52 SER N N 52 121.442 121.465 -0.023 1
1 542 . 4 1 1 A 53 53 VAL H H 53 8.448 9.096 -0.648 1
1 543 . 4 1 1 A 53 53 VAL HA H 53 4.650 5.110 -0.460 1
1 551 . 4 1 1 A 53 53 VAL CA C 53 60.449 59.683 0.766 1
1 552 . 4 1 1 A 53 53 VAL CB C 53 35.105 35.729 -0.624 1
1 555 . 4 1 1 A 53 53 VAL N N 53 121.387 121.237 0.150 1
1 556 . 4 1 1 A 54 54 SER H H 54 8.761 9.144 -0.383 1
1 557 . 4 1 1 A 54 54 SER HA H 54 5.760 6.115 -0.355 1
1 560 . 4 1 1 A 54 54 SER CA C 54 57.180 56.211 0.969 1
1 561 . 4 1 1 A 54 54 SER CB C 54 65.910 66.615 -0.705 1
1 562 . 4 1 1 A 54 54 SER N N 54 118.025 121.646 -3.621 1
1 563 . 4 1 1 A 55 55 TYR H H 55 9.340 8.728 0.612 1
1 564 . 4 1 1 A 55 55 TYR HA H 55 4.175 4.987 -0.812 1
1 571 . 4 1 1 A 55 55 TYR CA C 55 57.100 56.270 0.830 1
1 572 . 4 1 1 A 55 55 TYR CB C 55 39.870 40.923 -1.053 1
1 577 . 4 1 1 A 55 55 TYR N N 55 128.024 123.792 4.232 1
1 578 . 4 1 1 A 56 56 LYS H H 56 7.551 8.063 -0.512 1
1 579 . 4 1 1 A 56 56 LYS HA H 56 4.890 4.441 0.449 1
1 588 . 4 1 1 A 56 56 LYS CA C 56 54.117 55.422 -1.305 1
1 589 . 4 1 1 A 56 56 LYS CB C 56 33.610 33.312 0.298 1
1 593 . 4 1 1 A 56 56 LYS N N 56 127.706 129.205 -1.499 1
1 594 . 4 1 1 A 57 57 TYR H H 57 8.247 9.079 -0.832 1
1 595 . 4 1 1 A 57 57 TYR HA H 57 3.996 4.669 -0.673 1
1 602 . 4 1 1 A 57 57 TYR CA C 57 59.032 57.277 1.755 1
1 603 . 4 1 1 A 57 57 TYR CB C 57 39.390 39.645 -0.255 1
1 608 . 4 1 1 A 57 57 TYR N N 57 124.225 127.197 -2.972 1
1 609 . 4 1 1 A 58 58 THR H H 58 8.722 8.569 0.153 1
1 610 . 4 1 1 A 58 58 THR HA H 58 4.259 4.390 -0.131 1
1 615 . 4 1 1 A 58 58 THR CA C 58 62.250 61.551 0.699 1
1 616 . 4 1 1 A 58 58 THR CB C 58 69.280 69.564 -0.284 1
1 618 . 4 1 1 A 58 58 THR N N 58 116.096 118.728 -2.632 1
1 619 . 4 1 1 A 59 59 SER H H 59 8.402 8.773 -0.371 1
1 620 . 4 1 1 A 59 59 SER HA H 59 4.050 4.201 -0.151 1
1 623 . 4 1 1 A 59 59 SER CA C 59 61.680 59.050 2.630 1
1 624 . 4 1 1 A 59 59 SER CB C 59 63.210 62.998 0.212 1
1 625 . 4 1 1 A 59 59 SER N N 59 114.556 122.676 -8.120 1
1 626 . 4 1 1 A 60 60 ARG H H 60 8.176 7.859 0.317 1
1 627 . 4 1 1 A 60 60 ARG HA H 60 4.489 4.098 0.391 1
1 634 . 4 1 1 A 60 60 ARG CA C 60 54.960 57.635 -2.675 1
1 635 . 4 1 1 A 60 60 ARG CB C 60 29.846 29.672 0.174 1
1 638 . 4 1 1 A 60 60 ARG N N 60 118.244 120.320 -2.076 1
1 639 . 4 1 1 A 61 61 TYR H H 61 7.617 7.336 0.281 1
1 640 . 4 1 1 A 61 61 TYR HA H 61 3.897 5.030 -1.133 1
1 647 . 4 1 1 A 61 61 TYR CA C 61 61.930 55.982 5.948 1
1 648 . 4 1 1 A 61 61 TYR CB C 61 38.670 40.445 -1.775 1
1 653 . 4 1 1 A 61 61 TYR N N 61 122.301 115.951 6.350 1
1 654 . 4 1 1 A 62 62 VAL H H 62 7.363 8.724 -1.361 1
1 655 . 4 1 1 A 62 62 VAL HA H 62 3.893 4.552 -0.659 1
1 663 . 4 1 1 A 62 62 VAL CA C 62 60.590 59.904 0.686 1
1 664 . 4 1 1 A 62 62 VAL CB C 62 35.270 34.187 1.083 1
1 667 . 4 1 1 A 62 62 VAL N N 62 129.952 121.448 8.504 1
1 668 . 4 1 1 A 63 63 LEU H H 63 7.852 8.819 -0.967 1
1 669 . 4 1 1 A 63 63 LEU HA H 63 4.558 4.854 -0.296 1
1 679 . 4 1 1 A 63 63 LEU CA C 63 51.980 53.922 -1.942 1
1 680 . 4 1 1 A 63 63 LEU CB C 63 42.600 43.454 -0.854 1
1 684 . 4 1 1 A 63 63 LEU N N 63 128.635 130.082 -1.447 1
1 685 . 4 1 1 A 64 64 LYS H H 64 8.770 8.519 0.251 1
1 686 . 4 1 1 A 64 64 LYS HA H 64 3.722 4.293 -0.571 1
1 695 . 4 1 1 A 64 64 LYS CA C 64 57.360 56.255 1.105 1
1 696 . 4 1 1 A 64 64 LYS CB C 64 32.381 33.328 -0.947 1
1 700 . 4 1 1 A 64 64 LYS N N 64 130.633 127.327 3.306 1
1 701 . 4 1 1 A 65 65 ALA H H 65 8.628 8.456 0.172 1
1 702 . 4 1 1 A 65 65 ALA HA H 65 3.557 3.968 -0.411 1
1 706 . 4 1 1 A 65 65 ALA CA C 65 53.700 53.899 -0.199 1
1 707 . 4 1 1 A 65 65 ALA CB C 65 18.660 18.261 0.399 1
1 708 . 4 1 1 A 65 65 ALA N N 65 123.214 125.197 -1.983 1
1 709 . 4 1 1 A 66 66 GLY H H 66 7.505 8.431 -0.926 1
1 710 . 4 1 1 A 66 66 GLY HA2 H 66 4.020 3.893 0.127 1
1 711 . 4 1 1 A 66 66 GLY HA3 H 66 4.020 3.895 0.125 1
1 712 . 4 1 1 A 66 66 GLY CA C 66 46.864 45.572 1.292 1
1 713 . 4 1 1 A 66 66 GLY N N 66 112.913 110.813 2.100 1
1 714 . 4 1 1 A 67 67 GLN H H 67 8.136 7.789 0.347 1
1 715 . 4 1 1 A 67 67 GLN HA H 67 4.436 4.535 -0.099 1
1 722 . 4 1 1 A 67 67 GLN CA C 67 55.029 55.114 -0.085 1
1 723 . 4 1 1 A 67 67 GLN CB C 67 29.700 29.868 -0.168 1
1 725 . 4 1 1 A 67 67 GLN N N 67 118.759 121.243 -2.484 1
1 727 . 4 1 1 A 68 68 THR H H 68 8.066 8.817 -0.751 1
1 728 . 4 1 1 A 68 68 THR HA H 68 5.414 5.234 0.180 1
1 733 . 4 1 1 A 68 68 THR CA C 68 60.050 60.719 -0.669 1
1 734 . 4 1 1 A 68 68 THR CB C 68 72.052 70.445 1.607 1
1 736 . 4 1 1 A 68 68 THR N N 68 111.842 116.856 -5.014 1
1 737 . 4 1 1 A 69 69 VAL H H 69 8.780 8.896 -0.116 1
1 738 . 4 1 1 A 69 69 VAL HA H 69 4.989 4.419 0.570 1
1 746 . 4 1 1 A 69 69 VAL CA C 69 59.265 62.617 -3.352 1
1 747 . 4 1 1 A 69 69 VAL CB C 69 33.600 32.683 0.917 1
1 750 . 4 1 1 A 69 69 VAL N N 69 120.958 127.669 -6.711 1
1 751 . 4 1 1 A 70 70 THR H H 70 8.660 8.750 -0.090 1
1 752 . 4 1 1 A 70 70 THR HA H 70 4.618 4.870 -0.252 1
1 757 . 4 1 1 A 70 70 THR CA C 70 61.730 61.978 -0.248 1
1 758 . 4 1 1 A 70 70 THR CB C 70 69.550 69.496 0.054 1
1 760 . 4 1 1 A 70 70 THR N N 70 125.533 124.285 1.248 1
1 761 . 4 1 1 A 71 71 ILE H H 71 8.994 9.317 -0.323 1
1 762 . 4 1 1 A 71 71 ILE HA H 71 4.369 5.311 -0.942 1
1 772 . 4 1 1 A 71 71 ILE CA C 71 59.162 60.600 -1.438 1
1 773 . 4 1 1 A 71 71 ILE CB C 71 36.826 37.343 -0.517 1
1 777 . 4 1 1 A 71 71 ILE N N 71 127.838 127.864 -0.026 1
1 778 . 4 1 1 A 72 72 TRP H H 72 9.270 9.021 0.249 1
1 779 . 4 1 1 A 72 72 TRP HA H 72 5.167 5.113 0.054 1
1 788 . 4 1 1 A 72 72 TRP CA C 72 56.180 57.506 -1.326 1
1 789 . 4 1 1 A 72 72 TRP CB C 72 31.490 30.599 0.891 1
1 795 . 4 1 1 A 72 72 TRP N N 72 127.112 129.488 -2.376 1
1 797 . 4 1 1 A 73 73 ALA H H 73 9.010 9.302 -0.292 1
1 798 . 4 1 1 A 73 73 ALA HA H 73 4.617 4.515 0.102 1
1 802 . 4 1 1 A 73 73 ALA CA C 73 52.110 52.498 -0.388 1
1 803 . 4 1 1 A 73 73 ALA CB C 73 19.070 19.733 -0.663 1
1 804 . 4 1 1 A 73 73 ALA N N 73 122.140 126.787 -4.647 1
1 805 . 4 1 1 A 74 74 ALA H H 74 9.002 8.194 0.808 1
1 806 . 4 1 1 A 74 74 ALA HA H 74 4.042 4.046 -0.004 1
1 810 . 4 1 1 A 74 74 ALA CA C 74 54.650 54.940 -0.290 1
1 811 . 4 1 1 A 74 74 ALA CB C 74 18.070 18.273 -0.203 1
1 812 . 4 1 1 A 74 74 ALA N N 74 123.213 122.486 0.727 1
1 813 . 4 1 1 A 75 75 ASN H H 75 8.162 7.923 0.239 1
1 814 . 4 1 1 A 75 75 ASN HA H 75 5.015 4.909 0.106 1
1 819 . 4 1 1 A 75 75 ASN CA C 75 51.650 53.499 -1.849 1
1 820 . 4 1 1 A 75 75 ASN CB C 75 36.590 38.989 -2.399 1
1 821 . 4 1 1 A 75 75 ASN N N 75 112.259 115.172 -2.913 1
1 823 . 4 1 1 A 76 76 ALA H H 76 7.605 7.784 -0.179 1
1 824 . 4 1 1 A 76 76 ALA HA H 76 4.281 4.195 0.086 1
1 828 . 4 1 1 A 76 76 ALA CA C 76 53.203 52.982 0.221 1
1 829 . 4 1 1 A 76 76 ALA CB C 76 20.210 19.485 0.725 1
1 830 . 4 1 1 A 76 76 ALA N N 76 120.777 122.665 -1.888 1
1 831 . 4 1 1 A 77 77 GLY H H 77 8.449 8.107 0.342 1
1 832 . 4 1 1 A 77 77 GLY HA2 H 77 3.960 3.927 0.033 1
1 833 . 4 1 1 A 77 77 GLY HA3 H 77 3.537 3.944 -0.407 1
1 834 . 4 1 1 A 77 77 GLY CA C 77 45.410 45.199 0.211 1
1 835 . 4 1 1 A 77 77 GLY N N 77 107.064 107.378 -0.314 1
1 836 . 4 1 1 A 78 78 VAL H H 78 7.286 7.696 -0.410 1
1 837 . 4 1 1 A 78 78 VAL HA H 78 3.804 4.161 -0.357 1
1 845 . 4 1 1 A 78 78 VAL CA C 78 60.736 61.663 -0.927 1
1 846 . 4 1 1 A 78 78 VAL CB C 78 33.590 32.658 0.932 1
1 849 . 4 1 1 A 78 78 VAL N N 78 120.566 118.941 1.625 1
1 850 . 4 1 1 A 79 79 THR H H 79 8.148 8.403 -0.255 1
1 851 . 4 1 1 A 79 79 THR HA H 79 4.145 4.511 -0.366 1
1 856 . 4 1 1 A 79 79 THR CA C 79 61.395 62.608 -1.213 1
1 857 . 4 1 1 A 79 79 THR CB C 79 69.620 69.585 0.035 1
1 859 . 4 1 1 A 79 79 THR N N 79 121.617 117.412 4.205 1
1 860 . 4 1 1 A 80 80 ALA H H 80 8.593 8.548 0.045 1
1 861 . 4 1 1 A 80 80 ALA HA H 80 3.703 4.370 -0.667 1
1 865 . 4 1 1 A 80 80 ALA CA C 80 53.410 51.850 1.560 1
1 866 . 4 1 1 A 80 80 ALA CB C 80 19.180 17.506 1.674 1
1 867 . 4 1 1 A 80 80 ALA N N 80 126.311 129.256 -2.945 1
1 868 . 4 1 1 A 81 81 SER H H 81 9.101 8.203 0.898 1
1 869 . 4 1 1 A 81 81 SER HA H 81 4.747 4.962 -0.215 1
1 872 . 4 1 1 A 81 81 SER CA C 81 55.046 55.671 -0.625 1
1 873 . 4 1 1 A 81 81 SER CB C 81 62.680 63.952 -1.272 1
1 874 . 4 1 1 A 81 81 SER N N 81 114.816 118.259 -3.443 1
1 875 . 4 1 1 A 82 82 PRO HA H 82 4.328 4.652 -0.324 1
1 882 . 4 1 1 A 82 82 PRO CA C 82 62.158 61.633 0.525 1
1 883 . 4 1 1 A 82 82 PRO CB C 82 30.480 32.338 -1.858 1
1 886 . 4 1 1 A 83 83 PRO HA H 83 4.821 4.615 0.206 1
1 893 . 4 1 1 A 83 83 PRO CA C 83 64.384 61.969 2.415 1
1 894 . 4 1 1 A 83 83 PRO CB C 83 34.750 31.546 3.204 1
1 897 . 4 1 1 A 84 84 THR H H 84 8.007 8.487 -0.480 1
1 898 . 4 1 1 A 84 84 THR HA H 84 4.567 4.431 0.136 1
1 903 . 4 1 1 A 84 84 THR CA C 84 64.770 63.257 1.513 1
1 904 . 4 1 1 A 84 84 THR CB C 84 69.370 71.144 -1.774 1
1 906 . 4 1 1 A 84 84 THR N N 84 114.629 115.540 -0.911 1
1 907 . 4 1 1 A 85 85 ASP H H 85 7.952 7.665 0.287 1
1 908 . 4 1 1 A 85 85 ASP HA H 85 5.950 5.267 0.683 1
1 911 . 4 1 1 A 85 85 ASP CA C 85 54.110 52.811 1.299 1
1 912 . 4 1 1 A 85 85 ASP CB C 85 43.510 46.145 -2.635 1
1 913 . 4 1 1 A 85 85 ASP N N 85 124.539 119.164 5.375 1
1 914 . 4 1 1 A 86 86 LEU H H 86 9.271 8.891 0.380 1
1 915 . 4 1 1 A 86 86 LEU HA H 86 4.953 5.175 -0.222 1
1 925 . 4 1 1 A 86 86 LEU CA C 86 52.230 53.595 -1.365 1
1 926 . 4 1 1 A 86 86 LEU CB C 86 44.070 44.698 -0.628 1
1 930 . 4 1 1 A 86 86 LEU N N 86 124.265 120.279 3.986 1
1 931 . 4 1 1 A 87 87 ILE H H 87 8.691 9.257 -0.566 1
1 932 . 4 1 1 A 87 87 ILE HA H 87 4.802 5.018 -0.216 1
1 942 . 4 1 1 A 87 87 ILE CA C 87 58.694 60.425 -1.731 1
1 943 . 4 1 1 A 87 87 ILE CB C 87 37.945 38.387 -0.442 1
1 947 . 4 1 1 A 87 87 ILE N N 87 119.475 125.220 -5.745 1
1 948 . 4 1 1 A 88 88 TRP H H 88 9.755 9.119 0.636 1
1 949 . 4 1 1 A 88 88 TRP HA H 88 4.918 4.024 0.894 1
1 958 . 4 1 1 A 88 88 TRP CA C 88 54.900 55.266 -0.366 1
1 959 . 4 1 1 A 88 88 TRP CB C 88 27.270 28.315 -1.045 1
1 965 . 4 1 1 A 88 88 TRP N N 88 132.610 129.930 2.680 1
1 967 . 4 1 1 A 89 89 LYS H H 89 8.282 8.511 -0.229 1
1 968 . 4 1 1 A 89 89 LYS HA H 89 3.996 4.324 -0.328 1
1 977 . 4 1 1 A 89 89 LYS CA C 89 58.847 57.822 1.025 1
1 978 . 4 1 1 A 89 89 LYS CB C 89 32.360 32.210 0.150 1
1 982 . 4 1 1 A 89 89 LYS N N 89 125.513 126.548 -1.035 1
1 983 . 4 1 1 A 90 90 ASN H H 90 8.810 8.422 0.388 1
1 984 . 4 1 1 A 90 90 ASN HA H 90 4.434 4.938 -0.504 1
1 989 . 4 1 1 A 90 90 ASN CA C 90 54.010 54.014 -0.004 1
1 990 . 4 1 1 A 90 90 ASN CB C 90 37.770 39.505 -1.735 1
1 991 . 4 1 1 A 90 90 ASN N N 90 114.946 115.315 -0.369 1
1 993 . 4 1 1 A 91 91 GLN H H 91 7.546 7.108 0.438 1
1 994 . 4 1 1 A 91 91 GLN HA H 91 4.412 4.718 -0.306 1
1 1001 . 4 1 1 A 91 91 GLN CA C 91 53.520 54.296 -0.776 1
1 1002 . 4 1 1 A 91 91 GLN CB C 91 28.470 31.702 -3.232 1
1 1004 . 4 1 1 A 91 91 GLN N N 91 117.746 118.763 -1.017 1
1 1006 . 4 1 1 A 92 92 ASN H H 92 8.451 8.449 0.002 1
1 1007 . 4 1 1 A 92 92 ASN HA H 92 4.876 4.975 -0.099 1
1 1012 . 4 1 1 A 92 92 ASN CA C 92 52.080 52.252 -0.172 1
1 1013 . 4 1 1 A 92 92 ASN CB C 92 39.400 39.921 -0.521 1
1 1014 . 4 1 1 A 92 92 ASN N N 92 123.697 123.697 0.000 1
1 1016 . 4 1 1 A 93 93 SER H H 93 9.337 8.534 0.803 1
1 1017 . 4 1 1 A 93 93 SER HA H 93 3.977 4.075 -0.098 1
1 1020 . 4 1 1 A 93 93 SER CA C 93 58.940 58.279 0.661 1
1 1021 . 4 1 1 A 93 93 SER CB C 93 62.940 63.228 -0.288 1
1 1022 . 4 1 1 A 93 93 SER N N 93 117.010 114.939 2.071 1
1 1023 . 4 1 1 A 94 94 TRP H H 94 7.857 8.098 -0.241 1
1 1024 . 4 1 1 A 94 94 TRP HA H 94 4.905 4.622 0.283 1
1 1033 . 4 1 1 A 94 94 TRP CA C 94 56.770 56.810 -0.040 1
1 1034 . 4 1 1 A 94 94 TRP CB C 94 27.900 30.035 -2.135 1
1 1039 . 4 1 1 A 94 94 TRP N N 94 120.449 124.449 -4.000 1
1 1041 . 4 1 1 A 95 95 GLY H H 95 7.795 8.337 -0.542 1
1 1042 . 4 1 1 A 95 95 GLY HA2 H 95 3.953 3.609 0.344 1
1 1043 . 4 1 1 A 95 95 GLY HA3 H 95 3.763 3.908 -0.145 1
1 1044 . 4 1 1 A 95 95 GLY CA C 95 45.487 45.580 -0.093 1
1 1045 . 4 1 1 A 95 95 GLY N N 95 109.481 107.726 1.755 1
1 1046 . 4 1 1 A 96 96 THR H H 96 8.028 8.790 -0.762 1
1 1047 . 4 1 1 A 96 96 THR HA H 96 4.696 4.624 0.072 1
1 1052 . 4 1 1 A 96 96 THR CA C 96 60.880 60.997 -0.117 1
1 1053 . 4 1 1 A 96 96 THR CB C 96 70.040 70.129 -0.089 1
1 1055 . 4 1 1 A 96 96 THR N N 96 112.538 119.140 -6.602 1
1 1056 . 4 1 1 A 97 97 GLY H H 97 8.443 8.354 0.089 1
1 1057 . 4 1 1 A 97 97 GLY HA2 H 97 3.482 4.023 -0.541 1
1 1058 . 4 1 1 A 97 97 GLY HA3 H 97 3.862 4.031 -0.169 1
1 1059 . 4 1 1 A 97 97 GLY CA C 97 45.945 45.732 0.213 1
1 1060 . 4 1 1 A 97 97 GLY N N 97 111.464 110.475 0.989 1
1 1061 . 4 1 1 A 98 98 GLU H H 98 8.010 8.065 -0.055 1
1 1062 . 4 1 1 A 98 98 GLU HA H 98 4.471 4.364 0.107 1
1 1067 . 4 1 1 A 98 98 GLU CA C 98 54.730 57.242 -2.512 1
1 1068 . 4 1 1 A 98 98 GLU CB C 98 30.719 30.499 0.220 1
1 1070 . 4 1 1 A 98 98 GLU N N 98 118.563 121.232 -2.669 1
1 1071 . 4 1 1 A 99 99 ASP H H 99 8.680 8.695 -0.015 1
1 1072 . 4 1 1 A 99 99 ASP HA H 99 4.612 4.749 -0.137 1
1 1075 . 4 1 1 A 99 99 ASP CA C 99 54.451 54.525 -0.074 1
1 1076 . 4 1 1 A 99 99 ASP CB C 99 39.540 41.678 -2.138 1
1 1077 . 4 1 1 A 99 99 ASP N N 99 122.219 125.639 -3.420 1
1 1078 . 4 1 1 A 100 100 VAL H H 100 8.215 8.908 -0.693 1
1 1079 . 4 1 1 A 100 100 VAL HA H 100 4.495 5.113 -0.618 1
1 1087 . 4 1 1 A 100 100 VAL CA C 100 60.920 59.967 0.953 1
1 1088 . 4 1 1 A 100 100 VAL CB C 100 34.150 34.680 -0.530 1
1 1091 . 4 1 1 A 100 100 VAL N N 100 123.901 123.393 0.508 1
1 1092 . 4 1 1 A 101 101 LYS H H 101 8.600 9.210 -0.610 1
1 1093 . 4 1 1 A 101 101 LYS HA H 101 5.112 5.063 0.049 1
1 1102 . 4 1 1 A 101 101 LYS CA C 101 54.718 54.586 0.132 1
1 1103 . 4 1 1 A 101 101 LYS CB C 101 35.326 35.631 -0.305 1
1 1107 . 4 1 1 A 101 101 LYS N N 101 126.635 129.220 -2.585 1
1 1108 . 4 1 1 A 102 102 VAL H H 102 9.209 8.888 0.321 1
1 1109 . 4 1 1 A 102 102 VAL HA H 102 5.405 4.779 0.626 1
1 1117 . 4 1 1 A 102 102 VAL CA C 102 59.950 61.256 -1.306 1
1 1118 . 4 1 1 A 102 102 VAL CB C 102 34.420 33.753 0.667 1
1 1121 . 4 1 1 A 102 102 VAL N N 102 125.573 125.761 -0.188 1
1 1122 . 4 1 1 A 103 103 ILE H H 103 8.968 9.663 -0.695 1
1 1123 . 4 1 1 A 103 103 ILE HA H 103 4.671 4.777 -0.106 1
1 1133 . 4 1 1 A 103 103 ILE CA C 103 59.790 58.925 0.865 1
1 1134 . 4 1 1 A 103 103 ILE CB C 103 42.522 40.234 2.288 1
1 1138 . 4 1 1 A 103 103 ILE N N 103 125.593 127.698 -2.105 1
1 1139 . 4 1 1 A 104 104 LEU H H 104 9.017 9.321 -0.304 1
1 1140 . 4 1 1 A 104 104 LEU HA H 104 5.361 4.834 0.527 1
1 1150 . 4 1 1 A 104 104 LEU CA C 104 52.800 53.793 -0.993 1
1 1151 . 4 1 1 A 104 104 LEU CB C 104 46.200 43.472 2.728 1
1 1155 . 4 1 1 A 104 104 LEU N N 104 127.791 128.176 -0.385 1
1 1156 . 4 1 1 A 105 105 LYS H H 105 9.674 8.391 1.283 1
1 1157 . 4 1 1 A 105 105 LYS HA H 105 5.194 5.102 0.092 1
1 1166 . 4 1 1 A 105 105 LYS CA C 105 53.780 54.505 -0.725 1
1 1167 . 4 1 1 A 105 105 LYS CB C 105 36.330 36.442 -0.112 1
1 1171 . 4 1 1 A 105 105 LYS N N 105 126.536 123.231 3.305 1
1 1172 . 4 1 1 A 106 106 ASN H H 106 7.774 8.828 -1.054 1
1 1173 . 4 1 1 A 106 106 ASN HA H 106 2.714 4.519 -1.805 1
1 1178 . 4 1 1 A 106 106 ASN CA C 106 49.530 52.165 -2.635 1
1 1179 . 4 1 1 A 106 106 ASN CB C 106 36.940 39.377 -2.437 1
1 1180 . 4 1 1 A 106 106 ASN N N 106 116.550 120.780 -4.230 1
1 1182 . 4 1 1 A 107 107 SER H H 107 6.988 9.062 -2.074 1
1 1183 . 4 1 1 A 107 107 SER HA H 107 4.092 4.184 -0.092 1
1 1186 . 4 1 1 A 107 107 SER CA C 107 60.490 61.677 -1.187 1
1 1187 . 4 1 1 A 107 107 SER CB C 107 62.510 63.177 -0.667 1
1 1188 . 4 1 1 A 107 107 SER N N 107 112.400 115.524 -3.124 1
1 1189 . 4 1 1 A 108 108 GLN H H 108 7.414 7.856 -0.442 1
1 1190 . 4 1 1 A 108 108 GLN HA H 108 4.404 4.394 0.010 1
1 1197 . 4 1 1 A 108 108 GLN CA C 108 55.470 55.598 -0.128 1
1 1198 . 4 1 1 A 108 108 GLN CB C 108 28.400 29.181 -0.781 1
1 1200 . 4 1 1 A 108 108 GLN N N 108 119.000 117.942 1.058 1
1 1202 . 4 1 1 A 109 109 GLY H H 109 7.835 8.213 -0.378 1
1 1203 . 4 1 1 A 109 109 GLY HA2 H 109 4.136 3.902 0.234 1
1 1204 . 4 1 1 A 109 109 GLY HA3 H 109 3.530 3.907 -0.377 1
1 1205 . 4 1 1 A 109 109 GLY CA C 109 45.549 45.224 0.325 1
1 1206 . 4 1 1 A 109 109 GLY N N 109 107.333 108.295 -0.962 1
1 1207 . 4 1 1 A 110 110 GLU H H 110 7.562 8.058 -0.496 1
1 1208 . 4 1 1 A 110 110 GLU HA H 110 4.209 4.311 -0.102 1
1 1213 . 4 1 1 A 110 110 GLU CA C 110 54.320 56.415 -2.095 1
1 1214 . 4 1 1 A 110 110 GLU CB C 110 29.760 30.171 -0.411 1
1 1216 . 4 1 1 A 110 110 GLU N N 110 120.137 121.057 -0.920 1
1 1217 . 4 1 1 A 111 111 GLU H H 111 8.799 8.484 0.315 1
1 1218 . 4 1 1 A 111 111 GLU HA H 111 4.194 4.531 -0.337 1
1 1223 . 4 1 1 A 111 111 GLU CA C 111 57.160 56.940 0.220 1
1 1224 . 4 1 1 A 111 111 GLU CB C 111 29.175 30.713 -1.538 1
1 1226 . 4 1 1 A 111 111 GLU N N 111 123.867 124.433 -0.566 1
1 1227 . 4 1 1 A 112 112 VAL H H 112 9.093 9.290 -0.197 1
1 1228 . 4 1 1 A 112 112 VAL HA H 112 4.330 4.000 0.330 1
1 1236 . 4 1 1 A 112 112 VAL CA C 112 61.529 63.692 -2.163 1
1 1237 . 4 1 1 A 112 112 VAL CB C 112 33.230 32.379 0.851 1
1 1240 . 4 1 1 A 112 112 VAL N N 112 122.642 127.334 -4.692 1
1 1241 . 4 1 1 A 113 113 ALA H H 113 7.793 7.378 0.415 1
1 1242 . 4 1 1 A 113 113 ALA HA H 113 4.770 4.599 0.171 1
1 1246 . 4 1 1 A 113 113 ALA CA C 113 52.449 51.666 0.783 1
1 1247 . 4 1 1 A 113 113 ALA CB C 113 22.400 22.371 0.029 1
1 1248 . 4 1 1 A 113 113 ALA N N 113 121.070 118.253 2.817 1
1 1249 . 4 1 1 A 114 114 GLN H H 114 8.450 8.805 -0.355 1
1 1250 . 4 1 1 A 114 114 GLN HA H 114 5.404 5.448 -0.044 1
1 1257 . 4 1 1 A 114 114 GLN CA C 114 54.830 54.188 0.642 1
1 1258 . 4 1 1 A 114 114 GLN CB C 114 32.307 32.332 -0.025 1
1 1260 . 4 1 1 A 114 114 GLN N N 114 115.851 116.462 -0.611 1
1 1262 . 4 1 1 A 115 115 ARG H H 115 8.989 8.782 0.207 1
1 1263 . 4 1 1 A 115 115 ARG HA H 115 4.555 4.868 -0.313 1
1 1270 . 4 1 1 A 115 115 ARG CA C 115 56.350 55.449 0.901 1
1 1271 . 4 1 1 A 115 115 ARG CB C 115 33.730 34.581 -0.851 1
1 1274 . 4 1 1 A 115 115 ARG N N 115 122.920 122.251 0.669 1
1 1275 . 4 1 1 A 116 116 SER H H 116 8.511 8.700 -0.189 1
1 1276 . 4 1 1 A 116 116 SER HA H 116 5.756 5.167 0.589 1
1 1279 . 4 1 1 A 116 116 SER CA C 116 56.400 56.966 -0.566 1
1 1280 . 4 1 1 A 116 116 SER CB C 116 65.770 67.145 -1.375 1
1 1281 . 4 1 1 A 116 116 SER N N 116 119.807 115.628 4.179 1
1 1282 . 4 1 1 A 117 117 THR H H 117 8.801 8.740 0.061 1
1 1283 . 4 1 1 A 117 117 THR HA H 117 4.378 4.952 -0.574 1
1 1288 . 4 1 1 A 117 117 THR CA C 117 62.160 60.293 1.867 1
1 1289 . 4 1 1 A 117 117 THR CB C 117 70.010 71.837 -1.827 1
1 1291 . 4 1 1 A 117 117 THR N N 117 116.435 115.138 1.297 1
1 1292 . 4 1 1 A 118 118 VAL H H 118 8.165 8.782 -0.617 1
1 1293 . 4 1 1 A 118 118 VAL HA H 118 4.227 4.466 -0.239 1
1 1301 . 4 1 1 A 118 118 VAL CA C 118 61.320 62.042 -0.722 1
1 1302 . 4 1 1 A 118 118 VAL CB C 118 32.931 31.323 1.608 1
1 1305 . 4 1 1 A 118 118 VAL N N 118 122.111 125.849 -3.738 1
1 1306 . 4 1 1 A 119 119 PHE H H 119 8.580 8.517 0.063 1
1 1307 . 4 1 1 A 119 119 PHE HA H 119 4.655 5.132 -0.477 1
1 1314 . 4 1 1 A 119 119 PHE CA C 119 57.520 56.457 1.063 1
1 1315 . 4 1 1 A 119 119 PHE CB C 119 39.550 40.099 -0.549 1
1 1320 . 4 1 1 A 119 119 PHE N N 119 126.006 124.645 1.361 1
1 1321 . 4 1 1 A 120 120 LYS H H 120 8.346 8.918 -0.572 1
1 1322 . 4 1 1 A 120 120 LYS HA H 120 4.432 5.017 -0.585 1
1 1331 . 4 1 1 A 120 120 LYS CA C 120 55.740 54.225 1.515 1
1 1332 . 4 1 1 A 120 120 LYS CB C 120 33.290 36.748 -3.458 1
1 1336 . 4 1 1 A 120 120 LYS N N 120 124.095 122.695 1.400 1
1 1337 . 4 1 1 A 121 121 THR H H 121 8.294 8.889 -0.595 1
1 1338 . 4 1 1 A 121 121 THR HA H 121 4.394 5.403 -1.009 1
1 1343 . 4 1 1 A 121 121 THR CA C 121 61.610 60.615 0.995 1
1 1344 . 4 1 1 A 121 121 THR CB C 121 69.640 70.895 -1.255 1
1 1346 . 4 1 1 A 121 121 THR N N 121 116.359 110.988 5.371 1
1 1 . 5 1 1 A 3 3 HIS H H 3 8.528 8.136 0.392 1
1 2 . 5 1 1 A 3 3 HIS HA H 3 4.626 4.345 0.281 1
1 5 . 5 1 1 A 3 3 HIS CA C 3 55.260 59.300 -4.040 1
1 6 . 5 1 1 A 3 3 HIS CB C 3 29.250 31.111 -1.861 1
1 7 . 5 1 1 A 3 3 HIS N N 3 118.990 118.885 0.105 1
1 8 . 5 1 1 A 4 4 HIS H H 4 8.528 8.067 0.461 1
1 9 . 5 1 1 A 4 4 HIS HA H 4 4.624 4.393 0.231 1
1 12 . 5 1 1 A 4 4 HIS CA C 4 55.277 58.478 -3.201 1
1 13 . 5 1 1 A 4 4 HIS CB C 4 29.002 30.458 -1.456 1
1 14 . 5 1 1 A 4 4 HIS N N 4 118.990 118.511 0.479 1
1 15 . 5 1 1 A 5 5 HIS H H 5 8.579 7.985 0.594 1
1 16 . 5 1 1 A 5 5 HIS HA H 5 4.737 4.204 0.533 1
1 19 . 5 1 1 A 5 5 HIS CA C 5 55.330 58.555 -3.225 1
1 20 . 5 1 1 A 5 5 HIS CB C 5 29.257 30.124 -0.867 1
1 21 . 5 1 1 A 5 5 HIS N N 5 119.720 118.810 0.910 1
1 22 . 5 1 1 A 6 6 HIS H H 6 8.603 7.545 1.058 1
1 23 . 5 1 1 A 6 6 HIS HA H 6 4.674 5.109 -0.435 1
1 26 . 5 1 1 A 6 6 HIS CA C 6 55.150 54.167 0.983 1
1 27 . 5 1 1 A 6 6 HIS CB C 6 27.340 32.500 -5.160 1
1 28 . 5 1 1 A 6 6 HIS N N 6 121.420 115.670 5.750 1
1 29 . 5 1 1 A 7 7 HIS H H 7 8.706 8.758 -0.052 1
1 30 . 5 1 1 A 7 7 HIS HA H 7 4.658 5.216 -0.558 1
1 33 . 5 1 1 A 7 7 HIS CA C 7 55.100 53.653 1.447 1
1 34 . 5 1 1 A 7 7 HIS CB C 7 29.300 30.921 -1.621 1
1 35 . 5 1 1 A 7 7 HIS N N 7 121.200 118.382 2.818 1
1 36 . 5 1 1 A 8 8 HIS H H 8 8.706 8.785 -0.079 1
1 37 . 5 1 1 A 8 8 HIS HA H 8 4.706 5.013 -0.307 1
1 40 . 5 1 1 A 8 8 HIS CA C 8 55.156 55.598 -0.442 1
1 41 . 5 1 1 A 8 8 HIS CB C 8 29.396 33.144 -3.748 1
1 42 . 5 1 1 A 8 8 HIS N N 8 121.200 125.480 -4.280 1
1 43 . 5 1 1 A 9 9 SER H H 9 8.551 8.437 0.114 1
1 44 . 5 1 1 A 9 9 SER HA H 9 4.450 4.665 -0.215 1
1 47 . 5 1 1 A 9 9 SER CA C 9 58.200 56.827 1.373 1
1 48 . 5 1 1 A 9 9 SER CB C 9 63.740 65.273 -1.533 1
1 49 . 5 1 1 A 9 9 SER N N 9 118.046 117.351 0.695 1
1 50 . 5 1 1 A 10 10 HIS H H 10 8.770 8.324 0.446 1
1 51 . 5 1 1 A 10 10 HIS HA H 10 4.726 3.984 0.742 1
1 54 . 5 1 1 A 10 10 HIS CA C 10 55.640 57.087 -1.447 1
1 55 . 5 1 1 A 10 10 HIS CB C 10 29.172 26.549 2.623 1
1 56 . 5 1 1 A 10 10 HIS N N 10 120.412 115.629 4.783 1
1 57 . 5 1 1 A 11 11 MET H H 11 8.528 7.956 0.572 1
1 58 . 5 1 1 A 11 11 MET HA H 11 4.658 4.562 0.096 1
1 66 . 5 1 1 A 11 11 MET CA C 11 55.438 54.037 1.401 1
1 67 . 5 1 1 A 11 11 MET CB C 11 33.090 30.802 2.288 1
1 70 . 5 1 1 A 11 11 MET N N 11 122.400 119.795 2.605 1
1 71 . 5 1 1 A 12 12 THR H H 12 8.339 8.012 0.327 1
1 72 . 5 1 1 A 12 12 THR HA H 12 4.450 4.503 -0.053 1
1 77 . 5 1 1 A 12 12 THR CA C 12 61.810 61.391 0.419 1
1 78 . 5 1 1 A 12 12 THR CB C 12 70.450 68.696 1.754 1
1 80 . 5 1 1 A 12 12 THR N N 12 115.700 114.607 1.093 1
1 81 . 5 1 1 A 13 13 GLY H H 13 8.426 7.848 0.578 1
1 82 . 5 1 1 A 13 13 GLY HA2 H 13 4.287 3.996 0.291 1
1 83 . 5 1 1 A 13 13 GLY HA3 H 13 3.877 4.141 -0.264 1
1 84 . 5 1 1 A 13 13 GLY CA C 13 45.243 46.895 -1.652 1
1 85 . 5 1 1 A 13 13 GLY N N 13 110.872 110.931 -0.059 1
1 86 . 5 1 1 A 14 14 ASN H H 14 8.374 9.171 -0.797 1
1 87 . 5 1 1 A 14 14 ASN HA H 14 4.720 5.298 -0.578 1
1 92 . 5 1 1 A 14 14 ASN CA C 14 54.200 52.310 1.890 1
1 93 . 5 1 1 A 14 14 ASN CB C 14 39.210 38.707 0.503 1
1 94 . 5 1 1 A 14 14 ASN N N 14 117.789 124.429 -6.640 1
1 96 . 5 1 1 A 15 15 VAL H H 15 7.890 9.169 -1.279 1
1 97 . 5 1 1 A 15 15 VAL HA H 15 4.843 4.950 -0.107 1
1 105 . 5 1 1 A 15 15 VAL CA C 15 61.759 61.145 0.614 1
1 106 . 5 1 1 A 15 15 VAL CB C 15 33.230 33.451 -0.221 1
1 109 . 5 1 1 A 15 15 VAL N N 15 118.720 125.119 -6.399 1
1 110 . 5 1 1 A 16 16 CYS H H 16 9.060 9.042 0.018 1
1 111 . 5 1 1 A 16 16 CYS HA H 16 4.899 5.211 -0.312 1
1 114 . 5 1 1 A 16 16 CYS CA C 16 54.620 56.395 -1.775 1
1 115 . 5 1 1 A 16 16 CYS CB C 16 30.900 31.558 -0.658 1
1 116 . 5 1 1 A 16 16 CYS N N 16 122.674 123.413 -0.739 1
1 117 . 5 1 1 A 17 17 ILE H H 17 8.845 8.872 -0.027 1
1 118 . 5 1 1 A 17 17 ILE HA H 17 4.153 4.235 -0.082 1
1 128 . 5 1 1 A 17 17 ILE CA C 17 61.080 61.231 -0.151 1
1 129 . 5 1 1 A 17 17 ILE CB C 17 36.397 37.213 -0.816 1
1 133 . 5 1 1 A 17 17 ILE N N 17 122.609 122.036 0.573 1
1 134 . 5 1 1 A 18 18 GLU H H 18 8.917 9.052 -0.135 1
1 135 . 5 1 1 A 18 18 GLU HA H 18 4.230 4.158 0.072 1
1 140 . 5 1 1 A 18 18 GLU CA C 18 57.160 58.742 -1.582 1
1 141 . 5 1 1 A 18 18 GLU CB C 18 30.550 30.820 -0.270 1
1 143 . 5 1 1 A 18 18 GLU N N 18 130.894 129.854 1.040 1
1 144 . 5 1 1 A 19 19 GLU H H 19 7.853 7.405 0.448 1
1 145 . 5 1 1 A 19 19 GLU HA H 19 4.470 4.677 -0.207 1
1 150 . 5 1 1 A 19 19 GLU CA C 19 56.110 56.133 -0.023 1
1 151 . 5 1 1 A 19 19 GLU CB C 19 33.847 33.209 0.638 1
1 153 . 5 1 1 A 19 19 GLU N N 19 115.069 117.902 -2.833 1
1 154 . 5 1 1 A 20 20 ILE H H 20 8.744 9.005 -0.261 1
1 155 . 5 1 1 A 20 20 ILE HA H 20 4.080 4.595 -0.515 1
1 165 . 5 1 1 A 20 20 ILE CA C 20 60.619 59.877 0.742 1
1 166 . 5 1 1 A 20 20 ILE CB C 20 39.170 40.140 -0.970 1
1 170 . 5 1 1 A 20 20 ILE N N 20 127.309 125.873 1.436 1
1 171 . 5 1 1 A 21 21 ASP H H 21 7.468 8.193 -0.725 1
1 172 . 5 1 1 A 21 21 ASP HA H 21 3.949 4.406 -0.457 1
1 175 . 5 1 1 A 21 21 ASP CA C 21 54.970 54.127 0.843 1
1 176 . 5 1 1 A 21 21 ASP CB C 21 42.170 41.439 0.731 1
1 177 . 5 1 1 A 21 21 ASP N N 21 124.858 127.012 -2.154 1
1 178 . 5 1 1 A 22 22 VAL H H 22 8.650 8.629 0.021 1
1 179 . 5 1 1 A 22 22 VAL HA H 22 3.998 3.939 0.059 1
1 187 . 5 1 1 A 22 22 VAL CA C 22 64.445 64.666 -0.221 1
1 188 . 5 1 1 A 22 22 VAL CB C 22 31.244 31.952 -0.708 1
1 191 . 5 1 1 A 22 22 VAL N N 22 130.172 126.286 3.886 1
1 192 . 5 1 1 A 23 23 ASP H H 23 7.482 7.709 -0.227 1
1 193 . 5 1 1 A 23 23 ASP HA H 23 4.711 4.499 0.212 1
1 196 . 5 1 1 A 23 23 ASP CA C 23 53.920 54.956 -1.036 1
1 197 . 5 1 1 A 23 23 ASP CB C 23 40.100 41.352 -1.252 1
1 198 . 5 1 1 A 23 23 ASP N N 23 118.547 119.819 -1.272 1
1 199 . 5 1 1 A 24 24 GLY H H 24 7.220 7.766 -0.546 1
1 200 . 5 1 1 A 24 24 GLY HA2 H 24 2.950 3.321 -0.371 1
1 201 . 5 1 1 A 24 24 GLY HA3 H 24 2.407 3.485 -1.078 1
1 202 . 5 1 1 A 24 24 GLY CA C 24 45.040 44.746 0.294 1
1 203 . 5 1 1 A 24 24 GLY N N 24 105.293 106.819 -1.526 1
1 204 . 5 1 1 A 25 25 LYS H H 25 8.757 7.870 0.887 1
1 205 . 5 1 1 A 25 25 LYS HA H 25 3.964 4.093 -0.129 1
1 214 . 5 1 1 A 25 25 LYS CA C 25 56.590 56.575 0.015 1
1 215 . 5 1 1 A 25 25 LYS CB C 25 33.660 34.692 -1.032 1
1 219 . 5 1 1 A 25 25 LYS N N 25 111.753 116.925 -5.172 1
1 220 . 5 1 1 A 26 26 PHE H H 26 6.380 7.426 -1.046 1
1 221 . 5 1 1 A 26 26 PHE HA H 26 5.753 5.287 0.466 1
1 229 . 5 1 1 A 26 26 PHE CA C 26 56.370 56.350 0.020 1
1 230 . 5 1 1 A 26 26 PHE CB C 26 40.030 40.112 -0.082 1
1 236 . 5 1 1 A 26 26 PHE N N 26 110.097 114.162 -4.065 1
1 237 . 5 1 1 A 27 27 ILE H H 27 8.601 8.851 -0.250 1
1 238 . 5 1 1 A 27 27 ILE HA H 27 4.506 4.869 -0.363 1
1 248 . 5 1 1 A 27 27 ILE CA C 27 60.905 60.776 0.129 1
1 249 . 5 1 1 A 27 27 ILE CB C 27 43.249 40.927 2.322 1
1 253 . 5 1 1 A 27 27 ILE N N 27 119.676 120.140 -0.464 1
1 254 . 5 1 1 A 28 28 ARG H H 28 9.290 8.958 0.332 1
1 255 . 5 1 1 A 28 28 ARG HA H 28 5.561 5.207 0.354 1
1 262 . 5 1 1 A 28 28 ARG CA C 28 54.650 55.074 -0.424 1
1 263 . 5 1 1 A 28 28 ARG CB C 28 34.180 32.093 2.087 1
1 266 . 5 1 1 A 28 28 ARG N N 28 127.516 128.807 -1.291 1
1 267 . 5 1 1 A 29 29 LEU H H 29 9.502 9.154 0.348 1
1 268 . 5 1 1 A 29 29 LEU HA H 29 5.306 4.982 0.324 1
1 278 . 5 1 1 A 29 29 LEU CA C 29 54.010 53.474 0.536 1
1 279 . 5 1 1 A 29 29 LEU CB C 29 44.020 43.548 0.472 1
1 283 . 5 1 1 A 29 29 LEU N N 29 126.696 128.174 -1.478 1
1 284 . 5 1 1 A 30 30 LYS H H 30 8.641 8.879 -0.238 1
1 285 . 5 1 1 A 30 30 LYS HA H 30 5.108 4.718 0.390 1
1 294 . 5 1 1 A 30 30 LYS CA C 30 54.660 55.634 -0.974 1
1 295 . 5 1 1 A 30 30 LYS CB C 30 38.070 36.481 1.589 1
1 299 . 5 1 1 A 30 30 LYS N N 30 118.761 120.933 -2.172 1
1 300 . 5 1 1 A 31 31 ASN H H 31 8.397 8.530 -0.133 1
1 301 . 5 1 1 A 31 31 ASN HA H 31 5.319 4.861 0.458 1
1 306 . 5 1 1 A 31 31 ASN CA C 31 50.690 52.259 -1.569 1
1 307 . 5 1 1 A 31 31 ASN CB C 31 37.490 38.836 -1.346 1
1 308 . 5 1 1 A 31 31 ASN N N 31 123.996 124.975 -0.979 1
1 310 . 5 1 1 A 32 32 THR H H 32 8.455 8.990 -0.535 1
1 311 . 5 1 1 A 32 32 THR HA H 32 4.302 4.938 -0.636 1
1 316 . 5 1 1 A 32 32 THR CA C 32 61.492 60.267 1.225 1
1 317 . 5 1 1 A 32 32 THR CB C 32 68.110 69.266 -1.156 1
1 319 . 5 1 1 A 32 32 THR N N 32 115.755 122.590 -6.835 1
1 320 . 5 1 1 A 33 33 SER H H 33 8.487 8.256 0.231 1
1 321 . 5 1 1 A 33 33 SER HA H 33 4.793 4.975 -0.182 1
1 324 . 5 1 1 A 33 33 SER CA C 33 57.500 56.350 1.150 1
1 325 . 5 1 1 A 33 33 SER CB C 33 66.510 66.215 0.295 1
1 326 . 5 1 1 A 33 33 SER N N 33 120.037 119.395 0.642 1
1 327 . 5 1 1 A 34 34 GLU H H 34 8.355 8.719 -0.364 1
1 328 . 5 1 1 A 34 34 GLU HA H 34 4.335 4.262 0.073 1
1 333 . 5 1 1 A 34 34 GLU CA C 34 55.840 57.944 -2.104 1
1 334 . 5 1 1 A 34 34 GLU CB C 34 28.930 31.108 -2.178 1
1 336 . 5 1 1 A 34 34 GLU N N 34 116.545 118.070 -1.525 1
1 337 . 5 1 1 A 35 35 GLN H H 35 8.634 7.654 0.980 1
1 338 . 5 1 1 A 35 35 GLN HA H 35 4.664 4.769 -0.105 1
1 345 . 5 1 1 A 35 35 GLN CA C 35 53.740 54.758 -1.018 1
1 346 . 5 1 1 A 35 35 GLN CB C 35 31.696 32.525 -0.829 1
1 348 . 5 1 1 A 35 35 GLN N N 35 120.013 119.649 0.364 1
1 350 . 5 1 1 A 36 36 ASP H H 36 8.859 8.642 0.217 1
1 351 . 5 1 1 A 36 36 ASP HA H 36 4.050 4.448 -0.398 1
1 354 . 5 1 1 A 36 36 ASP CA C 36 54.640 54.907 -0.267 1
1 355 . 5 1 1 A 36 36 ASP CB C 36 40.120 40.776 -0.656 1
1 356 . 5 1 1 A 36 36 ASP N N 36 124.552 122.666 1.886 1
1 357 . 5 1 1 A 37 37 GLN H H 37 8.141 8.461 -0.320 1
1 358 . 5 1 1 A 37 37 GLN HA H 37 4.786 4.833 -0.047 1
1 365 . 5 1 1 A 37 37 GLN CA C 37 50.858 51.783 -0.925 1
1 366 . 5 1 1 A 37 37 GLN CB C 37 31.860 30.176 1.684 1
1 368 . 5 1 1 A 37 37 GLN N N 37 120.015 123.424 -3.409 1
1 370 . 5 1 1 A 38 38 PRO HA H 38 4.367 4.559 -0.192 1
1 377 . 5 1 1 A 38 38 PRO CA C 38 63.330 63.268 0.062 1
1 378 . 5 1 1 A 38 38 PRO CB C 38 31.750 31.902 -0.152 1
1 381 . 5 1 1 A 39 39 MET H H 39 8.392 8.148 0.244 1
1 382 . 5 1 1 A 39 39 MET HA H 39 2.792 4.001 -1.209 1
1 390 . 5 1 1 A 39 39 MET CA C 39 53.780 56.857 -3.077 1
1 391 . 5 1 1 A 39 39 MET CB C 39 34.410 32.532 1.878 1
1 394 . 5 1 1 A 39 39 MET N N 39 124.427 118.015 6.412 1
1 395 . 5 1 1 A 40 40 GLY H H 40 7.940 8.702 -0.762 1
1 396 . 5 1 1 A 40 40 GLY HA2 H 40 4.154 4.007 0.147 1
1 397 . 5 1 1 A 40 40 GLY HA3 H 40 3.763 4.104 -0.341 1
1 398 . 5 1 1 A 40 40 GLY CA C 40 48.114 45.997 2.117 1
1 399 . 5 1 1 A 40 40 GLY N N 40 108.664 107.262 1.402 1
1 400 . 5 1 1 A 41 41 GLY H H 41 7.959 8.261 -0.302 1
1 401 . 5 1 1 A 41 41 GLY HA2 H 41 4.323 4.233 0.090 1
1 402 . 5 1 1 A 41 41 GLY HA3 H 41 3.769 4.292 -0.523 1
1 403 . 5 1 1 A 41 41 GLY CA C 41 46.020 45.867 0.153 1
1 404 . 5 1 1 A 41 41 GLY N N 41 114.027 104.641 9.386 1
1 405 . 5 1 1 A 42 42 TRP H H 42 8.667 9.274 -0.607 1
1 406 . 5 1 1 A 42 42 TRP HA H 42 4.408 5.060 -0.652 1
1 415 . 5 1 1 A 42 42 TRP CA C 42 58.925 56.980 1.945 1
1 416 . 5 1 1 A 42 42 TRP CB C 42 28.120 32.350 -4.230 1
1 422 . 5 1 1 A 42 42 TRP N N 42 122.097 124.835 -2.738 1
1 424 . 5 1 1 A 43 43 GLU H H 43 8.740 9.083 -0.343 1
1 425 . 5 1 1 A 43 43 GLU HA H 43 5.462 5.261 0.201 1
1 430 . 5 1 1 A 43 43 GLU CA C 43 54.410 54.961 -0.551 1
1 431 . 5 1 1 A 43 43 GLU CB C 43 33.980 32.451 1.529 1
1 433 . 5 1 1 A 43 43 GLU N N 43 120.300 121.928 -1.628 1
1 434 . 5 1 1 A 44 44 MET H H 44 9.658 9.461 0.197 1
1 435 . 5 1 1 A 44 44 MET HA H 44 5.488 5.452 0.036 1
1 443 . 5 1 1 A 44 44 MET CA C 44 53.360 53.971 -0.611 1
1 444 . 5 1 1 A 44 44 MET CB C 44 37.490 35.288 2.202 1
1 447 . 5 1 1 A 44 44 MET N N 44 126.477 127.891 -1.414 1
1 448 . 5 1 1 A 45 45 ILE H H 45 9.658 9.371 0.287 1
1 449 . 5 1 1 A 45 45 ILE HA H 45 4.781 5.167 -0.386 1
1 459 . 5 1 1 A 45 45 ILE CA C 45 60.413 59.898 0.515 1
1 460 . 5 1 1 A 45 45 ILE CB C 45 40.804 41.094 -0.290 1
1 464 . 5 1 1 A 45 45 ILE N N 45 127.329 127.325 0.004 1
1 465 . 5 1 1 A 46 46 ARG H H 46 9.217 9.269 -0.052 1
1 466 . 5 1 1 A 46 46 ARG HA H 46 5.083 5.086 -0.003 1
1 474 . 5 1 1 A 46 46 ARG CA C 46 53.760 54.796 -1.036 1
1 475 . 5 1 1 A 46 46 ARG CB C 46 33.559 33.391 0.168 1
1 478 . 5 1 1 A 46 46 ARG N N 46 126.837 126.095 0.742 1
1 480 . 5 1 1 A 47 47 LYS H H 47 9.876 8.952 0.924 1
1 481 . 5 1 1 A 47 47 LYS HA H 47 5.257 4.697 0.560 1
1 490 . 5 1 1 A 47 47 LYS CA C 47 55.260 56.061 -0.801 1
1 491 . 5 1 1 A 47 47 LYS CB C 47 34.860 33.124 1.736 1
1 495 . 5 1 1 A 47 47 LYS N N 47 132.271 126.927 5.344 1
1 496 . 5 1 1 A 48 48 ILE H H 48 7.909 8.509 -0.600 1
1 497 . 5 1 1 A 48 48 ILE HA H 48 4.360 4.398 -0.038 1
1 507 . 5 1 1 A 48 48 ILE CA C 48 61.132 59.816 1.316 1
1 508 . 5 1 1 A 48 48 ILE CB C 48 40.316 39.582 0.734 1
1 512 . 5 1 1 A 48 48 ILE N N 48 125.793 123.540 2.253 1
1 513 . 5 1 1 A 49 49 GLY H H 49 9.576 9.362 0.214 1
1 514 . 5 1 1 A 49 49 GLY HA2 H 49 4.021 3.778 0.243 1
1 515 . 5 1 1 A 49 49 GLY HA3 H 49 3.730 3.780 -0.050 1
1 516 . 5 1 1 A 49 49 GLY CA C 49 46.910 46.778 0.132 1
1 517 . 5 1 1 A 49 49 GLY N N 49 120.665 117.687 2.978 1
1 518 . 5 1 1 A 50 50 ASP H H 50 8.935 8.591 0.344 1
1 519 . 5 1 1 A 50 50 ASP HA H 50 4.777 4.604 0.173 1
1 522 . 5 1 1 A 50 50 ASP CA C 50 54.000 56.096 -2.096 1
1 523 . 5 1 1 A 50 50 ASP CB C 50 40.520 40.486 0.034 1
1 524 . 5 1 1 A 50 50 ASP N N 50 126.343 122.176 4.167 1
1 525 . 5 1 1 A 51 51 THR H H 51 8.253 8.048 0.205 1
1 526 . 5 1 1 A 51 51 THR HA H 51 4.638 4.729 -0.091 1
1 531 . 5 1 1 A 51 51 THR CA C 51 61.690 60.014 1.676 1
1 532 . 5 1 1 A 51 51 THR CB C 51 71.080 71.257 -0.177 1
1 534 . 5 1 1 A 51 51 THR N N 51 115.167 114.920 0.247 1
1 535 . 5 1 1 A 52 52 SER H H 52 8.710 8.906 -0.196 1
1 536 . 5 1 1 A 52 52 SER HA H 52 5.318 5.516 -0.198 1
1 539 . 5 1 1 A 52 52 SER CA C 52 57.290 57.164 0.126 1
1 540 . 5 1 1 A 52 52 SER CB C 52 64.730 65.025 -0.295 1
1 541 . 5 1 1 A 52 52 SER N N 52 121.442 118.807 2.635 1
1 542 . 5 1 1 A 53 53 VAL H H 53 8.448 8.493 -0.045 1
1 543 . 5 1 1 A 53 53 VAL HA H 53 4.650 4.841 -0.191 1
1 551 . 5 1 1 A 53 53 VAL CA C 53 60.449 60.957 -0.508 1
1 552 . 5 1 1 A 53 53 VAL CB C 53 35.105 33.467 1.638 1
1 555 . 5 1 1 A 53 53 VAL N N 53 121.387 127.564 -6.177 1
1 556 . 5 1 1 A 54 54 SER H H 54 8.761 9.231 -0.470 1
1 557 . 5 1 1 A 54 54 SER HA H 54 5.760 6.178 -0.418 1
1 560 . 5 1 1 A 54 54 SER CA C 54 57.180 55.775 1.405 1
1 561 . 5 1 1 A 54 54 SER CB C 54 65.910 66.611 -0.701 1
1 562 . 5 1 1 A 54 54 SER N N 54 118.025 120.985 -2.960 1
1 563 . 5 1 1 A 55 55 TYR H H 55 9.340 8.919 0.421 1
1 564 . 5 1 1 A 55 55 TYR HA H 55 4.175 5.086 -0.911 1
1 571 . 5 1 1 A 55 55 TYR CA C 55 57.100 56.907 0.193 1
1 572 . 5 1 1 A 55 55 TYR CB C 55 39.870 41.293 -1.423 1
1 577 . 5 1 1 A 55 55 TYR N N 55 128.024 122.561 5.463 1
1 578 . 5 1 1 A 56 56 LYS H H 56 7.551 8.263 -0.712 1
1 579 . 5 1 1 A 56 56 LYS HA H 56 4.890 4.941 -0.051 1
1 588 . 5 1 1 A 56 56 LYS CA C 56 54.117 54.307 -0.190 1
1 589 . 5 1 1 A 56 56 LYS CB C 56 33.610 34.823 -1.213 1
1 593 . 5 1 1 A 56 56 LYS N N 56 127.706 128.107 -0.401 1
1 594 . 5 1 1 A 57 57 TYR H H 57 8.247 9.221 -0.974 1
1 595 . 5 1 1 A 57 57 TYR HA H 57 3.996 4.899 -0.903 1
1 602 . 5 1 1 A 57 57 TYR CA C 57 59.032 57.794 1.238 1
1 603 . 5 1 1 A 57 57 TYR CB C 57 39.390 40.092 -0.702 1
1 608 . 5 1 1 A 57 57 TYR N N 57 124.225 126.746 -2.521 1
1 609 . 5 1 1 A 58 58 THR H H 58 8.722 8.832 -0.110 1
1 610 . 5 1 1 A 58 58 THR HA H 58 4.259 5.020 -0.761 1
1 615 . 5 1 1 A 58 58 THR CA C 58 62.250 60.089 2.161 1
1 616 . 5 1 1 A 58 58 THR CB C 58 69.280 71.198 -1.918 1
1 618 . 5 1 1 A 58 58 THR N N 58 116.096 114.593 1.503 1
1 619 . 5 1 1 A 59 59 SER H H 59 8.402 8.699 -0.297 1
1 620 . 5 1 1 A 59 59 SER HA H 59 4.050 4.603 -0.553 1
1 623 . 5 1 1 A 59 59 SER CA C 59 61.680 57.004 4.676 1
1 624 . 5 1 1 A 59 59 SER CB C 59 63.210 61.503 1.707 1
1 625 . 5 1 1 A 59 59 SER N N 59 114.556 121.732 -7.176 1
1 626 . 5 1 1 A 60 60 ARG H H 60 8.176 8.124 0.052 1
1 627 . 5 1 1 A 60 60 ARG HA H 60 4.489 4.573 -0.084 1
1 634 . 5 1 1 A 60 60 ARG CA C 60 54.960 56.385 -1.425 1
1 635 . 5 1 1 A 60 60 ARG CB C 60 29.846 31.192 -1.346 1
1 638 . 5 1 1 A 60 60 ARG N N 60 118.244 123.727 -5.483 1
1 639 . 5 1 1 A 61 61 TYR H H 61 7.617 7.448 0.169 1
1 640 . 5 1 1 A 61 61 TYR HA H 61 3.897 5.038 -1.141 1
1 647 . 5 1 1 A 61 61 TYR CA C 61 61.930 56.368 5.562 1
1 648 . 5 1 1 A 61 61 TYR CB C 61 38.670 40.594 -1.924 1
1 653 . 5 1 1 A 61 61 TYR N N 61 122.301 116.107 6.194 1
1 654 . 5 1 1 A 62 62 VAL H H 62 7.363 8.868 -1.505 1
1 655 . 5 1 1 A 62 62 VAL HA H 62 3.893 4.451 -0.558 1
1 663 . 5 1 1 A 62 62 VAL CA C 62 60.590 62.068 -1.478 1
1 664 . 5 1 1 A 62 62 VAL CB C 62 35.270 31.659 3.611 1
1 667 . 5 1 1 A 62 62 VAL N N 62 129.952 120.983 8.969 1
1 668 . 5 1 1 A 63 63 LEU H H 63 7.852 8.797 -0.945 1
1 669 . 5 1 1 A 63 63 LEU HA H 63 4.558 4.849 -0.291 1
1 679 . 5 1 1 A 63 63 LEU CA C 63 51.980 54.462 -2.482 1
1 680 . 5 1 1 A 63 63 LEU CB C 63 42.600 42.990 -0.390 1
1 684 . 5 1 1 A 63 63 LEU N N 63 128.635 130.217 -1.582 1
1 685 . 5 1 1 A 64 64 LYS H H 64 8.770 8.489 0.281 1
1 686 . 5 1 1 A 64 64 LYS HA H 64 3.722 4.159 -0.437 1
1 695 . 5 1 1 A 64 64 LYS CA C 64 57.360 57.008 0.352 1
1 696 . 5 1 1 A 64 64 LYS CB C 64 32.381 32.667 -0.286 1
1 700 . 5 1 1 A 64 64 LYS N N 64 130.633 127.167 3.466 1
1 701 . 5 1 1 A 65 65 ALA H H 65 8.628 8.464 0.164 1
1 702 . 5 1 1 A 65 65 ALA HA H 65 3.557 4.038 -0.481 1
1 706 . 5 1 1 A 65 65 ALA CA C 65 53.700 53.937 -0.237 1
1 707 . 5 1 1 A 65 65 ALA CB C 65 18.660 18.342 0.318 1
1 708 . 5 1 1 A 65 65 ALA N N 65 123.214 126.512 -3.298 1
1 709 . 5 1 1 A 66 66 GLY H H 66 7.505 9.253 -1.748 1
1 710 . 5 1 1 A 66 66 GLY HA2 H 66 4.020 4.008 0.012 1
1 711 . 5 1 1 A 66 66 GLY HA3 H 66 4.020 4.008 0.012 1
1 712 . 5 1 1 A 66 66 GLY CA C 66 46.864 45.204 1.660 1
1 713 . 5 1 1 A 66 66 GLY N N 66 112.913 111.208 1.705 1
1 714 . 5 1 1 A 67 67 GLN H H 67 8.136 7.769 0.367 1
1 715 . 5 1 1 A 67 67 GLN HA H 67 4.436 4.682 -0.246 1
1 722 . 5 1 1 A 67 67 GLN CA C 67 55.029 55.110 -0.081 1
1 723 . 5 1 1 A 67 67 GLN CB C 67 29.700 30.673 -0.973 1
1 725 . 5 1 1 A 67 67 GLN N N 67 118.759 119.283 -0.524 1
1 727 . 5 1 1 A 68 68 THR H H 68 8.066 8.770 -0.704 1
1 728 . 5 1 1 A 68 68 THR HA H 68 5.414 5.197 0.217 1
1 733 . 5 1 1 A 68 68 THR CA C 68 60.050 59.895 0.155 1
1 734 . 5 1 1 A 68 68 THR CB C 68 72.052 72.073 -0.021 1
1 736 . 5 1 1 A 68 68 THR N N 68 111.842 111.668 0.174 1
1 737 . 5 1 1 A 69 69 VAL H H 69 8.780 8.826 -0.046 1
1 738 . 5 1 1 A 69 69 VAL HA H 69 4.989 4.679 0.310 1
1 746 . 5 1 1 A 69 69 VAL CA C 69 59.265 60.310 -1.045 1
1 747 . 5 1 1 A 69 69 VAL CB C 69 33.600 35.314 -1.714 1
1 750 . 5 1 1 A 69 69 VAL N N 69 120.958 120.343 0.615 1
1 751 . 5 1 1 A 70 70 THR H H 70 8.660 8.717 -0.057 1
1 752 . 5 1 1 A 70 70 THR HA H 70 4.618 4.819 -0.201 1
1 757 . 5 1 1 A 70 70 THR CA C 70 61.730 61.907 -0.177 1
1 758 . 5 1 1 A 70 70 THR CB C 70 69.550 69.489 0.061 1
1 760 . 5 1 1 A 70 70 THR N N 70 125.533 123.613 1.920 1
1 761 . 5 1 1 A 71 71 ILE H H 71 8.994 9.377 -0.383 1
1 762 . 5 1 1 A 71 71 ILE HA H 71 4.369 5.153 -0.784 1
1 772 . 5 1 1 A 71 71 ILE CA C 71 59.162 60.301 -1.139 1
1 773 . 5 1 1 A 71 71 ILE CB C 71 36.826 37.666 -0.840 1
1 777 . 5 1 1 A 71 71 ILE N N 71 127.838 128.168 -0.330 1
1 778 . 5 1 1 A 72 72 TRP H H 72 9.270 9.094 0.176 1
1 779 . 5 1 1 A 72 72 TRP HA H 72 5.167 5.080 0.087 1
1 788 . 5 1 1 A 72 72 TRP CA C 72 56.180 57.465 -1.285 1
1 789 . 5 1 1 A 72 72 TRP CB C 72 31.490 30.627 0.863 1
1 795 . 5 1 1 A 72 72 TRP N N 72 127.112 129.402 -2.290 1
1 797 . 5 1 1 A 73 73 ALA H H 73 9.010 8.974 0.036 1
1 798 . 5 1 1 A 73 73 ALA HA H 73 4.617 4.829 -0.212 1
1 802 . 5 1 1 A 73 73 ALA CA C 73 52.110 51.413 0.697 1
1 803 . 5 1 1 A 73 73 ALA CB C 73 19.070 20.671 -1.601 1
1 804 . 5 1 1 A 73 73 ALA N N 73 122.140 124.081 -1.941 1
1 805 . 5 1 1 A 74 74 ALA H H 74 9.002 8.837 0.165 1
1 806 . 5 1 1 A 74 74 ALA HA H 74 4.042 4.089 -0.047 1
1 810 . 5 1 1 A 74 74 ALA CA C 74 54.650 55.206 -0.556 1
1 811 . 5 1 1 A 74 74 ALA CB C 74 18.070 18.418 -0.348 1
1 812 . 5 1 1 A 74 74 ALA N N 74 123.213 122.659 0.554 1
1 813 . 5 1 1 A 75 75 ASN H H 75 8.162 7.876 0.286 1
1 814 . 5 1 1 A 75 75 ASN HA H 75 5.015 5.068 -0.053 1
1 819 . 5 1 1 A 75 75 ASN CA C 75 51.650 52.980 -1.330 1
1 820 . 5 1 1 A 75 75 ASN CB C 75 36.590 39.098 -2.508 1
1 821 . 5 1 1 A 75 75 ASN N N 75 112.259 114.492 -2.233 1
1 823 . 5 1 1 A 76 76 ALA H H 76 7.605 7.659 -0.054 1
1 824 . 5 1 1 A 76 76 ALA HA H 76 4.281 4.201 0.080 1
1 828 . 5 1 1 A 76 76 ALA CA C 76 53.203 54.054 -0.851 1
1 829 . 5 1 1 A 76 76 ALA CB C 76 20.210 19.206 1.004 1
1 830 . 5 1 1 A 76 76 ALA N N 76 120.777 123.515 -2.738 1
1 831 . 5 1 1 A 77 77 GLY H H 77 8.449 7.969 0.480 1
1 832 . 5 1 1 A 77 77 GLY HA2 H 77 3.960 3.829 0.131 1
1 833 . 5 1 1 A 77 77 GLY HA3 H 77 3.537 3.842 -0.305 1
1 834 . 5 1 1 A 77 77 GLY CA C 77 45.410 45.414 -0.004 1
1 835 . 5 1 1 A 77 77 GLY N N 77 107.064 106.858 0.206 1
1 836 . 5 1 1 A 78 78 VAL H H 78 7.286 7.435 -0.149 1
1 837 . 5 1 1 A 78 78 VAL HA H 78 3.804 4.104 -0.300 1
1 845 . 5 1 1 A 78 78 VAL CA C 78 60.736 60.992 -0.256 1
1 846 . 5 1 1 A 78 78 VAL CB C 78 33.590 33.003 0.587 1
1 849 . 5 1 1 A 78 78 VAL N N 78 120.566 118.893 1.673 1
1 850 . 5 1 1 A 79 79 THR H H 79 8.148 8.130 0.018 1
1 851 . 5 1 1 A 79 79 THR HA H 79 4.145 4.069 0.076 1
1 856 . 5 1 1 A 79 79 THR CA C 79 61.395 64.199 -2.804 1
1 857 . 5 1 1 A 79 79 THR CB C 79 69.620 69.407 0.213 1
1 859 . 5 1 1 A 79 79 THR N N 79 121.617 116.233 5.384 1
1 860 . 5 1 1 A 80 80 ALA H H 80 8.593 8.370 0.223 1
1 861 . 5 1 1 A 80 80 ALA HA H 80 3.703 4.085 -0.382 1
1 865 . 5 1 1 A 80 80 ALA CA C 80 53.410 54.203 -0.793 1
1 866 . 5 1 1 A 80 80 ALA CB C 80 19.180 19.129 0.051 1
1 867 . 5 1 1 A 80 80 ALA N N 80 126.311 128.301 -1.990 1
1 868 . 5 1 1 A 81 81 SER H H 81 9.101 7.719 1.382 1
1 869 . 5 1 1 A 81 81 SER HA H 81 4.747 4.704 0.043 1
1 872 . 5 1 1 A 81 81 SER CA C 81 55.046 55.803 -0.757 1
1 873 . 5 1 1 A 81 81 SER CB C 81 62.680 65.251 -2.571 1
1 874 . 5 1 1 A 81 81 SER N N 81 114.816 110.766 4.050 1
1 875 . 5 1 1 A 82 82 PRO HA H 82 4.328 4.480 -0.152 1
1 882 . 5 1 1 A 82 82 PRO CA C 82 62.158 61.899 0.259 1
1 883 . 5 1 1 A 82 82 PRO CB C 82 30.480 32.549 -2.069 1
1 886 . 5 1 1 A 83 83 PRO HA H 83 4.821 4.238 0.583 1
1 893 . 5 1 1 A 83 83 PRO CA C 83 64.384 66.103 -1.719 1
1 894 . 5 1 1 A 83 83 PRO CB C 83 34.750 31.220 3.530 1
1 897 . 5 1 1 A 84 84 THR H H 84 8.007 7.858 0.149 1
1 898 . 5 1 1 A 84 84 THR HA H 84 4.567 3.966 0.601 1
1 903 . 5 1 1 A 84 84 THR CA C 84 64.770 64.333 0.437 1
1 904 . 5 1 1 A 84 84 THR CB C 84 69.370 68.537 0.833 1
1 906 . 5 1 1 A 84 84 THR N N 84 114.629 109.912 4.717 1
1 907 . 5 1 1 A 85 85 ASP H H 85 7.952 8.110 -0.158 1
1 908 . 5 1 1 A 85 85 ASP HA H 85 5.950 4.636 1.314 1
1 911 . 5 1 1 A 85 85 ASP CA C 85 54.110 54.446 -0.336 1
1 912 . 5 1 1 A 85 85 ASP CB C 85 43.510 41.591 1.919 1
1 913 . 5 1 1 A 85 85 ASP N N 85 124.539 120.694 3.845 1
1 914 . 5 1 1 A 86 86 LEU H H 86 9.271 8.762 0.509 1
1 915 . 5 1 1 A 86 86 LEU HA H 86 4.953 4.844 0.109 1
1 925 . 5 1 1 A 86 86 LEU CA C 86 52.230 53.939 -1.709 1
1 926 . 5 1 1 A 86 86 LEU CB C 86 44.070 41.763 2.307 1
1 930 . 5 1 1 A 86 86 LEU N N 86 124.265 125.662 -1.397 1
1 931 . 5 1 1 A 87 87 ILE H H 87 8.691 8.892 -0.201 1
1 932 . 5 1 1 A 87 87 ILE HA H 87 4.802 4.578 0.224 1
1 942 . 5 1 1 A 87 87 ILE CA C 87 58.694 60.752 -2.058 1
1 943 . 5 1 1 A 87 87 ILE CB C 87 37.945 37.992 -0.047 1
1 947 . 5 1 1 A 87 87 ILE N N 87 119.475 125.331 -5.856 1
1 948 . 5 1 1 A 88 88 TRP H H 88 9.755 9.341 0.414 1
1 949 . 5 1 1 A 88 88 TRP HA H 88 4.918 4.260 0.658 1
1 958 . 5 1 1 A 88 88 TRP CA C 88 54.900 55.499 -0.599 1
1 959 . 5 1 1 A 88 88 TRP CB C 88 27.270 28.572 -1.302 1
1 965 . 5 1 1 A 88 88 TRP N N 88 132.610 129.898 2.712 1
1 967 . 5 1 1 A 89 89 LYS H H 89 8.282 8.747 -0.465 1
1 968 . 5 1 1 A 89 89 LYS HA H 89 3.996 4.500 -0.504 1
1 977 . 5 1 1 A 89 89 LYS CA C 89 58.847 56.904 1.943 1
1 978 . 5 1 1 A 89 89 LYS CB C 89 32.360 32.369 -0.009 1
1 982 . 5 1 1 A 89 89 LYS N N 89 125.513 126.402 -0.889 1
1 983 . 5 1 1 A 90 90 ASN H H 90 8.810 8.325 0.485 1
1 984 . 5 1 1 A 90 90 ASN HA H 90 4.434 5.070 -0.636 1
1 989 . 5 1 1 A 90 90 ASN CA C 90 54.010 53.410 0.600 1
1 990 . 5 1 1 A 90 90 ASN CB C 90 37.770 40.973 -3.203 1
1 991 . 5 1 1 A 90 90 ASN N N 90 114.946 116.416 -1.470 1
1 993 . 5 1 1 A 91 91 GLN H H 91 7.546 7.375 0.171 1
1 994 . 5 1 1 A 91 91 GLN HA H 91 4.412 4.742 -0.330 1
1 1001 . 5 1 1 A 91 91 GLN CA C 91 53.520 55.357 -1.837 1
1 1002 . 5 1 1 A 91 91 GLN CB C 91 28.470 32.403 -3.933 1
1 1004 . 5 1 1 A 91 91 GLN N N 91 117.746 118.366 -0.620 1
1 1006 . 5 1 1 A 92 92 ASN H H 92 8.451 8.707 -0.256 1
1 1007 . 5 1 1 A 92 92 ASN HA H 92 4.876 4.999 -0.123 1
1 1012 . 5 1 1 A 92 92 ASN CA C 92 52.080 52.571 -0.491 1
1 1013 . 5 1 1 A 92 92 ASN CB C 92 39.400 39.716 -0.316 1
1 1014 . 5 1 1 A 92 92 ASN N N 92 123.697 123.362 0.335 1
1 1016 . 5 1 1 A 93 93 SER H H 93 9.337 8.621 0.716 1
1 1017 . 5 1 1 A 93 93 SER HA H 93 3.977 4.356 -0.379 1
1 1020 . 5 1 1 A 93 93 SER CA C 93 58.940 58.385 0.555 1
1 1021 . 5 1 1 A 93 93 SER CB C 93 62.940 63.559 -0.619 1
1 1022 . 5 1 1 A 93 93 SER N N 93 117.010 116.579 0.431 1
1 1023 . 5 1 1 A 94 94 TRP H H 94 7.857 8.088 -0.231 1
1 1024 . 5 1 1 A 94 94 TRP HA H 94 4.905 5.413 -0.508 1
1 1033 . 5 1 1 A 94 94 TRP CA C 94 56.770 55.112 1.658 1
1 1034 . 5 1 1 A 94 94 TRP CB C 94 27.900 32.722 -4.822 1
1 1039 . 5 1 1 A 94 94 TRP N N 94 120.449 122.122 -1.673 1
1 1041 . 5 1 1 A 95 95 GLY H H 95 7.795 8.807 -1.012 1
1 1042 . 5 1 1 A 95 95 GLY HA2 H 95 3.953 4.105 -0.152 1
1 1043 . 5 1 1 A 95 95 GLY HA3 H 95 3.763 4.214 -0.451 1
1 1044 . 5 1 1 A 95 95 GLY CA C 95 45.487 45.419 0.068 1
1 1045 . 5 1 1 A 95 95 GLY N N 95 109.481 108.108 1.373 1
1 1046 . 5 1 1 A 96 96 THR H H 96 8.028 8.055 -0.027 1
1 1047 . 5 1 1 A 96 96 THR HA H 96 4.696 4.338 0.358 1
1 1052 . 5 1 1 A 96 96 THR CA C 96 60.880 63.597 -2.717 1
1 1053 . 5 1 1 A 96 96 THR CB C 96 70.040 69.690 0.350 1
1 1055 . 5 1 1 A 96 96 THR N N 96 112.538 115.309 -2.771 1
1 1056 . 5 1 1 A 97 97 GLY H H 97 8.443 8.247 0.196 1
1 1057 . 5 1 1 A 97 97 GLY HA2 H 97 3.482 3.896 -0.414 1
1 1058 . 5 1 1 A 97 97 GLY HA3 H 97 3.862 3.903 -0.041 1
1 1059 . 5 1 1 A 97 97 GLY CA C 97 45.945 45.361 0.584 1
1 1060 . 5 1 1 A 97 97 GLY N N 97 111.464 109.628 1.836 1
1 1061 . 5 1 1 A 98 98 GLU H H 98 8.010 7.839 0.171 1
1 1062 . 5 1 1 A 98 98 GLU HA H 98 4.471 4.564 -0.093 1
1 1067 . 5 1 1 A 98 98 GLU CA C 98 54.730 55.472 -0.742 1
1 1068 . 5 1 1 A 98 98 GLU CB C 98 30.719 31.347 -0.628 1
1 1070 . 5 1 1 A 98 98 GLU N N 98 118.563 119.943 -1.380 1
1 1071 . 5 1 1 A 99 99 ASP H H 99 8.680 8.591 0.089 1
1 1072 . 5 1 1 A 99 99 ASP HA H 99 4.612 4.582 0.030 1
1 1075 . 5 1 1 A 99 99 ASP CA C 99 54.451 54.323 0.128 1
1 1076 . 5 1 1 A 99 99 ASP CB C 99 39.540 41.047 -1.507 1
1 1077 . 5 1 1 A 99 99 ASP N N 99 122.219 121.835 0.384 1
1 1078 . 5 1 1 A 100 100 VAL H H 100 8.215 8.584 -0.369 1
1 1079 . 5 1 1 A 100 100 VAL HA H 100 4.495 4.946 -0.451 1
1 1087 . 5 1 1 A 100 100 VAL CA C 100 60.920 59.825 1.095 1
1 1088 . 5 1 1 A 100 100 VAL CB C 100 34.150 35.208 -1.058 1
1 1091 . 5 1 1 A 100 100 VAL N N 100 123.901 120.706 3.195 1
1 1092 . 5 1 1 A 101 101 LYS H H 101 8.600 9.500 -0.900 1
1 1093 . 5 1 1 A 101 101 LYS HA H 101 5.112 5.098 0.014 1
1 1102 . 5 1 1 A 101 101 LYS CA C 101 54.718 54.706 0.012 1
1 1103 . 5 1 1 A 101 101 LYS CB C 101 35.326 35.029 0.297 1
1 1107 . 5 1 1 A 101 101 LYS N N 101 126.635 129.080 -2.445 1
1 1108 . 5 1 1 A 102 102 VAL H H 102 9.209 8.820 0.389 1
1 1109 . 5 1 1 A 102 102 VAL HA H 102 5.405 4.842 0.563 1
1 1117 . 5 1 1 A 102 102 VAL CA C 102 59.950 60.484 -0.534 1
1 1118 . 5 1 1 A 102 102 VAL CB C 102 34.420 33.990 0.430 1
1 1121 . 5 1 1 A 102 102 VAL N N 102 125.573 126.927 -1.354 1
1 1122 . 5 1 1 A 103 103 ILE H H 103 8.968 9.651 -0.683 1
1 1123 . 5 1 1 A 103 103 ILE HA H 103 4.671 4.929 -0.258 1
1 1133 . 5 1 1 A 103 103 ILE CA C 103 59.790 59.726 0.064 1
1 1134 . 5 1 1 A 103 103 ILE CB C 103 42.522 42.364 0.158 1
1 1138 . 5 1 1 A 103 103 ILE N N 103 125.593 128.961 -3.368 1
1 1139 . 5 1 1 A 104 104 LEU H H 104 9.017 9.241 -0.224 1
1 1140 . 5 1 1 A 104 104 LEU HA H 104 5.361 5.098 0.263 1
1 1150 . 5 1 1 A 104 104 LEU CA C 104 52.800 53.866 -1.066 1
1 1151 . 5 1 1 A 104 104 LEU CB C 104 46.200 42.757 3.443 1
1 1155 . 5 1 1 A 104 104 LEU N N 104 127.791 127.169 0.622 1
1 1156 . 5 1 1 A 105 105 LYS H H 105 9.674 9.122 0.552 1
1 1157 . 5 1 1 A 105 105 LYS HA H 105 5.194 5.066 0.128 1
1 1166 . 5 1 1 A 105 105 LYS CA C 105 53.780 54.198 -0.418 1
1 1167 . 5 1 1 A 105 105 LYS CB C 105 36.330 35.960 0.370 1
1 1171 . 5 1 1 A 105 105 LYS N N 105 126.536 123.800 2.736 1
1 1172 . 5 1 1 A 106 106 ASN H H 106 7.774 8.810 -1.036 1
1 1173 . 5 1 1 A 106 106 ASN HA H 106 2.714 4.907 -2.193 1
1 1178 . 5 1 1 A 106 106 ASN CA C 106 49.530 51.403 -1.873 1
1 1179 . 5 1 1 A 106 106 ASN CB C 106 36.940 40.903 -3.963 1
1 1180 . 5 1 1 A 106 106 ASN N N 106 116.550 118.747 -2.197 1
1 1182 . 5 1 1 A 107 107 SER H H 107 6.988 8.805 -1.817 1
1 1183 . 5 1 1 A 107 107 SER HA H 107 4.092 4.129 -0.037 1
1 1186 . 5 1 1 A 107 107 SER CA C 107 60.490 61.391 -0.901 1
1 1187 . 5 1 1 A 107 107 SER CB C 107 62.510 62.944 -0.434 1
1 1188 . 5 1 1 A 107 107 SER N N 107 112.400 116.829 -4.429 1
1 1189 . 5 1 1 A 108 108 GLN H H 108 7.414 7.817 -0.403 1
1 1190 . 5 1 1 A 108 108 GLN HA H 108 4.404 4.339 0.065 1
1 1197 . 5 1 1 A 108 108 GLN CA C 108 55.470 55.640 -0.170 1
1 1198 . 5 1 1 A 108 108 GLN CB C 108 28.400 28.893 -0.493 1
1 1200 . 5 1 1 A 108 108 GLN N N 108 119.000 116.797 2.203 1
1 1202 . 5 1 1 A 109 109 GLY H H 109 7.835 8.068 -0.233 1
1 1203 . 5 1 1 A 109 109 GLY HA2 H 109 4.136 3.909 0.227 1
1 1204 . 5 1 1 A 109 109 GLY HA3 H 109 3.530 3.910 -0.380 1
1 1205 . 5 1 1 A 109 109 GLY CA C 109 45.549 45.301 0.248 1
1 1206 . 5 1 1 A 109 109 GLY N N 109 107.333 107.978 -0.645 1
1 1207 . 5 1 1 A 110 110 GLU H H 110 7.562 8.011 -0.449 1
1 1208 . 5 1 1 A 110 110 GLU HA H 110 4.209 4.386 -0.177 1
1 1213 . 5 1 1 A 110 110 GLU CA C 110 54.320 56.206 -1.886 1
1 1214 . 5 1 1 A 110 110 GLU CB C 110 29.760 30.684 -0.924 1
1 1216 . 5 1 1 A 110 110 GLU N N 110 120.137 121.153 -1.016 1
1 1217 . 5 1 1 A 111 111 GLU H H 111 8.799 8.304 0.495 1
1 1218 . 5 1 1 A 111 111 GLU HA H 111 4.194 4.854 -0.660 1
1 1223 . 5 1 1 A 111 111 GLU CA C 111 57.160 54.936 2.224 1
1 1224 . 5 1 1 A 111 111 GLU CB C 111 29.175 32.892 -3.717 1
1 1226 . 5 1 1 A 111 111 GLU N N 111 123.867 122.184 1.683 1
1 1227 . 5 1 1 A 112 112 VAL H H 112 9.093 8.649 0.444 1
1 1228 . 5 1 1 A 112 112 VAL HA H 112 4.330 4.290 0.040 1
1 1236 . 5 1 1 A 112 112 VAL CA C 112 61.529 62.557 -1.028 1
1 1237 . 5 1 1 A 112 112 VAL CB C 112 33.230 32.716 0.514 1
1 1240 . 5 1 1 A 112 112 VAL N N 112 122.642 121.930 0.712 1
1 1241 . 5 1 1 A 113 113 ALA H H 113 7.793 7.027 0.766 1
1 1242 . 5 1 1 A 113 113 ALA HA H 113 4.770 4.661 0.109 1
1 1246 . 5 1 1 A 113 113 ALA CA C 113 52.449 51.803 0.646 1
1 1247 . 5 1 1 A 113 113 ALA CB C 113 22.400 22.439 -0.039 1
1 1248 . 5 1 1 A 113 113 ALA N N 113 121.070 121.107 -0.037 1
1 1249 . 5 1 1 A 114 114 GLN H H 114 8.450 8.852 -0.402 1
1 1250 . 5 1 1 A 114 114 GLN HA H 114 5.404 5.198 0.206 1
1 1257 . 5 1 1 A 114 114 GLN CA C 114 54.830 54.591 0.239 1
1 1258 . 5 1 1 A 114 114 GLN CB C 114 32.307 32.784 -0.477 1
1 1260 . 5 1 1 A 114 114 GLN N N 114 115.851 115.454 0.397 1
1 1262 . 5 1 1 A 115 115 ARG H H 115 8.989 9.004 -0.015 1
1 1263 . 5 1 1 A 115 115 ARG HA H 115 4.555 4.815 -0.260 1
1 1270 . 5 1 1 A 115 115 ARG CA C 115 56.350 54.468 1.882 1
1 1271 . 5 1 1 A 115 115 ARG CB C 115 33.730 33.748 -0.018 1
1 1274 . 5 1 1 A 115 115 ARG N N 115 122.920 120.687 2.233 1
1 1275 . 5 1 1 A 116 116 SER H H 116 8.511 8.584 -0.073 1
1 1276 . 5 1 1 A 116 116 SER HA H 116 5.756 5.043 0.713 1
1 1279 . 5 1 1 A 116 116 SER CA C 116 56.400 57.295 -0.895 1
1 1280 . 5 1 1 A 116 116 SER CB C 116 65.770 66.766 -0.996 1
1 1281 . 5 1 1 A 116 116 SER N N 116 119.807 113.928 5.879 1
1 1282 . 5 1 1 A 117 117 THR H H 117 8.801 8.502 0.299 1
1 1283 . 5 1 1 A 117 117 THR HA H 117 4.378 4.511 -0.133 1
1 1288 . 5 1 1 A 117 117 THR CA C 117 62.160 61.630 0.530 1
1 1289 . 5 1 1 A 117 117 THR CB C 117 70.010 69.692 0.318 1
1 1291 . 5 1 1 A 117 117 THR N N 117 116.435 113.096 3.339 1
1 1292 . 5 1 1 A 118 118 VAL H H 118 8.165 8.380 -0.215 1
1 1293 . 5 1 1 A 118 118 VAL HA H 118 4.227 4.365 -0.138 1
1 1301 . 5 1 1 A 118 118 VAL CA C 118 61.320 61.813 -0.493 1
1 1302 . 5 1 1 A 118 118 VAL CB C 118 32.931 32.296 0.635 1
1 1305 . 5 1 1 A 118 118 VAL N N 118 122.111 123.443 -1.332 1
1 1306 . 5 1 1 A 119 119 PHE H H 119 8.580 8.597 -0.017 1
1 1307 . 5 1 1 A 119 119 PHE HA H 119 4.655 5.132 -0.477 1
1 1314 . 5 1 1 A 119 119 PHE CA C 119 57.520 56.284 1.236 1
1 1315 . 5 1 1 A 119 119 PHE CB C 119 39.550 40.366 -0.816 1
1 1320 . 5 1 1 A 119 119 PHE N N 119 126.006 127.222 -1.216 1
1 1321 . 5 1 1 A 120 120 LYS H H 120 8.346 8.992 -0.646 1
1 1322 . 5 1 1 A 120 120 LYS HA H 120 4.432 4.627 -0.195 1
1 1331 . 5 1 1 A 120 120 LYS CA C 120 55.740 56.062 -0.322 1
1 1332 . 5 1 1 A 120 120 LYS CB C 120 33.290 33.042 0.248 1
1 1336 . 5 1 1 A 120 120 LYS N N 120 124.095 125.705 -1.610 1
1 1337 . 5 1 1 A 121 121 THR H H 121 8.294 8.735 -0.441 1
1 1338 . 5 1 1 A 121 121 THR HA H 121 4.394 4.505 -0.111 1
1 1343 . 5 1 1 A 121 121 THR CA C 121 61.610 62.429 -0.819 1
1 1344 . 5 1 1 A 121 121 THR CB C 121 69.640 67.251 2.389 1
1 1346 . 5 1 1 A 121 121 THR N N 121 116.359 119.983 -3.624 1
1 1 . 6 1 1 A 3 3 HIS H H 3 8.528 8.690 -0.162 1
1 2 . 6 1 1 A 3 3 HIS HA H 3 4.626 4.885 -0.259 1
1 5 . 6 1 1 A 3 3 HIS CA C 3 55.260 54.899 0.361 1
1 6 . 6 1 1 A 3 3 HIS CB C 3 29.250 30.502 -1.252 1
1 7 . 6 1 1 A 3 3 HIS N N 3 118.990 124.327 -5.337 1
1 8 . 6 1 1 A 4 4 HIS H H 4 8.528 8.024 0.504 1
1 9 . 6 1 1 A 4 4 HIS HA H 4 4.624 4.639 -0.015 1
1 12 . 6 1 1 A 4 4 HIS CA C 4 55.277 56.233 -0.956 1
1 13 . 6 1 1 A 4 4 HIS CB C 4 29.002 29.840 -0.838 1
1 14 . 6 1 1 A 4 4 HIS N N 4 118.990 120.045 -1.055 1
1 15 . 6 1 1 A 5 5 HIS H H 5 8.579 7.667 0.912 1
1 16 . 6 1 1 A 5 5 HIS HA H 5 4.737 4.427 0.310 1
1 19 . 6 1 1 A 5 5 HIS CA C 5 55.330 55.179 0.151 1
1 20 . 6 1 1 A 5 5 HIS CB C 5 29.257 29.277 -0.020 1
1 21 . 6 1 1 A 5 5 HIS N N 5 119.720 121.191 -1.471 1
1 22 . 6 1 1 A 6 6 HIS H H 6 8.603 7.855 0.748 1
1 23 . 6 1 1 A 6 6 HIS HA H 6 4.674 4.566 0.108 1
1 26 . 6 1 1 A 6 6 HIS CA C 6 55.150 55.042 0.108 1
1 27 . 6 1 1 A 6 6 HIS CB C 6 27.340 30.392 -3.052 1
1 28 . 6 1 1 A 6 6 HIS N N 6 121.420 121.619 -0.199 1
1 29 . 6 1 1 A 7 7 HIS H H 7 8.706 7.200 1.506 1
1 30 . 6 1 1 A 7 7 HIS HA H 7 4.658 4.287 0.371 1
1 33 . 6 1 1 A 7 7 HIS CA C 7 55.100 55.209 -0.109 1
1 34 . 6 1 1 A 7 7 HIS CB C 7 29.300 29.391 -0.091 1
1 35 . 6 1 1 A 7 7 HIS N N 7 121.200 120.587 0.613 1
1 36 . 6 1 1 A 8 8 HIS H H 8 8.706 8.427 0.279 1
1 37 . 6 1 1 A 8 8 HIS HA H 8 4.706 4.977 -0.271 1
1 40 . 6 1 1 A 8 8 HIS CA C 8 55.156 54.835 0.321 1
1 41 . 6 1 1 A 8 8 HIS CB C 8 29.396 31.316 -1.920 1
1 42 . 6 1 1 A 8 8 HIS N N 8 121.200 126.845 -5.645 1
1 43 . 6 1 1 A 9 9 SER H H 9 8.551 8.987 -0.436 1
1 44 . 6 1 1 A 9 9 SER HA H 9 4.450 4.818 -0.368 1
1 47 . 6 1 1 A 9 9 SER CA C 9 58.200 56.774 1.426 1
1 48 . 6 1 1 A 9 9 SER CB C 9 63.740 63.233 0.507 1
1 49 . 6 1 1 A 9 9 SER N N 9 118.046 120.181 -2.135 1
1 50 . 6 1 1 A 10 10 HIS H H 10 8.770 8.893 -0.123 1
1 51 . 6 1 1 A 10 10 HIS HA H 10 4.726 4.942 -0.216 1
1 54 . 6 1 1 A 10 10 HIS CA C 10 55.640 54.592 1.048 1
1 55 . 6 1 1 A 10 10 HIS CB C 10 29.172 32.274 -3.102 1
1 56 . 6 1 1 A 10 10 HIS N N 10 120.412 126.037 -5.625 1
1 57 . 6 1 1 A 11 11 MET H H 11 8.528 8.579 -0.051 1
1 58 . 6 1 1 A 11 11 MET HA H 11 4.658 4.110 0.548 1
1 66 . 6 1 1 A 11 11 MET CA C 11 55.438 56.180 -0.742 1
1 67 . 6 1 1 A 11 11 MET CB C 11 33.090 31.500 1.590 1
1 70 . 6 1 1 A 11 11 MET N N 11 122.400 121.579 0.821 1
1 71 . 6 1 1 A 12 12 THR H H 12 8.339 8.253 0.086 1
1 72 . 6 1 1 A 12 12 THR HA H 12 4.450 4.617 -0.167 1
1 77 . 6 1 1 A 12 12 THR CA C 12 61.810 61.397 0.413 1
1 78 . 6 1 1 A 12 12 THR CB C 12 70.450 68.742 1.708 1
1 80 . 6 1 1 A 12 12 THR N N 12 115.700 119.129 -3.429 1
1 81 . 6 1 1 A 13 13 GLY H H 13 8.426 8.434 -0.008 1
1 82 . 6 1 1 A 13 13 GLY HA2 H 13 4.287 3.945 0.342 1
1 83 . 6 1 1 A 13 13 GLY HA3 H 13 3.877 4.025 -0.148 1
1 84 . 6 1 1 A 13 13 GLY CA C 13 45.243 47.380 -2.137 1
1 85 . 6 1 1 A 13 13 GLY N N 13 110.872 111.942 -1.070 1
1 86 . 6 1 1 A 14 14 ASN H H 14 8.374 8.830 -0.456 1
1 87 . 6 1 1 A 14 14 ASN HA H 14 4.720 4.891 -0.171 1
1 92 . 6 1 1 A 14 14 ASN CA C 14 54.200 54.329 -0.129 1
1 93 . 6 1 1 A 14 14 ASN CB C 14 39.210 40.122 -0.912 1
1 94 . 6 1 1 A 14 14 ASN N N 14 117.789 119.005 -1.216 1
1 96 . 6 1 1 A 15 15 VAL H H 15 7.890 7.905 -0.015 1
1 97 . 6 1 1 A 15 15 VAL HA H 15 4.843 4.574 0.269 1
1 105 . 6 1 1 A 15 15 VAL CA C 15 61.759 61.532 0.227 1
1 106 . 6 1 1 A 15 15 VAL CB C 15 33.230 32.604 0.626 1
1 109 . 6 1 1 A 15 15 VAL N N 15 118.720 118.438 0.282 1
1 110 . 6 1 1 A 16 16 CYS H H 16 9.060 9.050 0.010 1
1 111 . 6 1 1 A 16 16 CYS HA H 16 4.899 5.330 -0.431 1
1 114 . 6 1 1 A 16 16 CYS CA C 16 54.620 56.470 -1.850 1
1 115 . 6 1 1 A 16 16 CYS CB C 16 30.900 31.695 -0.795 1
1 116 . 6 1 1 A 16 16 CYS N N 16 122.674 124.751 -2.077 1
1 117 . 6 1 1 A 17 17 ILE H H 17 8.845 8.852 -0.007 1
1 118 . 6 1 1 A 17 17 ILE HA H 17 4.153 4.051 0.102 1
1 128 . 6 1 1 A 17 17 ILE CA C 17 61.080 62.234 -1.154 1
1 129 . 6 1 1 A 17 17 ILE CB C 17 36.397 37.564 -1.167 1
1 133 . 6 1 1 A 17 17 ILE N N 17 122.609 123.106 -0.497 1
1 134 . 6 1 1 A 18 18 GLU H H 18 8.917 9.114 -0.197 1
1 135 . 6 1 1 A 18 18 GLU HA H 18 4.230 4.343 -0.113 1
1 140 . 6 1 1 A 18 18 GLU CA C 18 57.160 58.339 -1.179 1
1 141 . 6 1 1 A 18 18 GLU CB C 18 30.550 30.663 -0.113 1
1 143 . 6 1 1 A 18 18 GLU N N 18 130.894 129.234 1.660 1
1 144 . 6 1 1 A 19 19 GLU H H 19 7.853 7.867 -0.014 1
1 145 . 6 1 1 A 19 19 GLU HA H 19 4.470 4.910 -0.440 1
1 150 . 6 1 1 A 19 19 GLU CA C 19 56.110 55.511 0.599 1
1 151 . 6 1 1 A 19 19 GLU CB C 19 33.847 33.429 0.418 1
1 153 . 6 1 1 A 19 19 GLU N N 19 115.069 118.528 -3.459 1
1 154 . 6 1 1 A 20 20 ILE H H 20 8.744 9.033 -0.289 1
1 155 . 6 1 1 A 20 20 ILE HA H 20 4.080 4.571 -0.491 1
1 165 . 6 1 1 A 20 20 ILE CA C 20 60.619 60.279 0.340 1
1 166 . 6 1 1 A 20 20 ILE CB C 20 39.170 38.981 0.189 1
1 170 . 6 1 1 A 20 20 ILE N N 20 127.309 127.484 -0.175 1
1 171 . 6 1 1 A 21 21 ASP H H 21 7.468 8.358 -0.890 1
1 172 . 6 1 1 A 21 21 ASP HA H 21 3.949 4.545 -0.596 1
1 175 . 6 1 1 A 21 21 ASP CA C 21 54.970 54.484 0.486 1
1 176 . 6 1 1 A 21 21 ASP CB C 21 42.170 41.549 0.621 1
1 177 . 6 1 1 A 21 21 ASP N N 21 124.858 128.210 -3.352 1
1 178 . 6 1 1 A 22 22 VAL H H 22 8.650 8.728 -0.078 1
1 179 . 6 1 1 A 22 22 VAL HA H 22 3.998 4.438 -0.440 1
1 187 . 6 1 1 A 22 22 VAL CA C 22 64.445 63.512 0.933 1
1 188 . 6 1 1 A 22 22 VAL CB C 22 31.244 32.854 -1.610 1
1 191 . 6 1 1 A 22 22 VAL N N 22 130.172 125.874 4.298 1
1 192 . 6 1 1 A 23 23 ASP H H 23 7.482 7.829 -0.347 1
1 193 . 6 1 1 A 23 23 ASP HA H 23 4.711 4.606 0.105 1
1 196 . 6 1 1 A 23 23 ASP CA C 23 53.920 54.091 -0.171 1
1 197 . 6 1 1 A 23 23 ASP CB C 23 40.100 41.207 -1.107 1
1 198 . 6 1 1 A 23 23 ASP N N 23 118.547 120.277 -1.730 1
1 199 . 6 1 1 A 24 24 GLY H H 24 7.220 7.314 -0.094 1
1 200 . 6 1 1 A 24 24 GLY HA2 H 24 2.950 1.945 1.005 1
1 201 . 6 1 1 A 24 24 GLY HA3 H 24 2.407 3.328 -0.921 1
1 202 . 6 1 1 A 24 24 GLY CA C 24 45.040 44.728 0.312 1
1 203 . 6 1 1 A 24 24 GLY N N 24 105.293 106.533 -1.240 1
1 204 . 6 1 1 A 25 25 LYS H H 25 8.757 7.884 0.873 1
1 205 . 6 1 1 A 25 25 LYS HA H 25 3.964 4.187 -0.223 1
1 214 . 6 1 1 A 25 25 LYS CA C 25 56.590 56.806 -0.216 1
1 215 . 6 1 1 A 25 25 LYS CB C 25 33.660 34.935 -1.275 1
1 219 . 6 1 1 A 25 25 LYS N N 25 111.753 117.133 -5.380 1
1 220 . 6 1 1 A 26 26 PHE H H 26 6.380 7.791 -1.411 1
1 221 . 6 1 1 A 26 26 PHE HA H 26 5.753 5.503 0.250 1
1 229 . 6 1 1 A 26 26 PHE CA C 26 56.370 56.194 0.176 1
1 230 . 6 1 1 A 26 26 PHE CB C 26 40.030 42.542 -2.512 1
1 236 . 6 1 1 A 26 26 PHE N N 26 110.097 114.322 -4.225 1
1 237 . 6 1 1 A 27 27 ILE H H 27 8.601 9.060 -0.459 1
1 238 . 6 1 1 A 27 27 ILE HA H 27 4.506 4.732 -0.226 1
1 248 . 6 1 1 A 27 27 ILE CA C 27 60.905 60.905 0.000 1
1 249 . 6 1 1 A 27 27 ILE CB C 27 43.249 40.121 3.128 1
1 253 . 6 1 1 A 27 27 ILE N N 27 119.676 119.913 -0.237 1
1 254 . 6 1 1 A 28 28 ARG H H 28 9.290 9.158 0.132 1
1 255 . 6 1 1 A 28 28 ARG HA H 28 5.561 4.971 0.590 1
1 262 . 6 1 1 A 28 28 ARG CA C 28 54.650 55.688 -1.038 1
1 263 . 6 1 1 A 28 28 ARG CB C 28 34.180 31.687 2.493 1
1 266 . 6 1 1 A 28 28 ARG N N 28 127.516 129.535 -2.019 1
1 267 . 6 1 1 A 29 29 LEU H H 29 9.502 9.026 0.476 1
1 268 . 6 1 1 A 29 29 LEU HA H 29 5.306 4.867 0.439 1
1 278 . 6 1 1 A 29 29 LEU CA C 29 54.010 53.707 0.303 1
1 279 . 6 1 1 A 29 29 LEU CB C 29 44.020 42.706 1.314 1
1 283 . 6 1 1 A 29 29 LEU N N 29 126.696 128.091 -1.395 1
1 284 . 6 1 1 A 30 30 LYS H H 30 8.641 8.702 -0.061 1
1 285 . 6 1 1 A 30 30 LYS HA H 30 5.108 4.781 0.327 1
1 294 . 6 1 1 A 30 30 LYS CA C 30 54.660 55.843 -1.183 1
1 295 . 6 1 1 A 30 30 LYS CB C 30 38.070 36.382 1.688 1
1 299 . 6 1 1 A 30 30 LYS N N 30 118.761 120.832 -2.071 1
1 300 . 6 1 1 A 31 31 ASN H H 31 8.397 9.064 -0.667 1
1 301 . 6 1 1 A 31 31 ASN HA H 31 5.319 5.338 -0.019 1
1 306 . 6 1 1 A 31 31 ASN CA C 31 50.690 51.911 -1.221 1
1 307 . 6 1 1 A 31 31 ASN CB C 31 37.490 39.771 -2.281 1
1 308 . 6 1 1 A 31 31 ASN N N 31 123.996 124.570 -0.574 1
1 310 . 6 1 1 A 32 32 THR H H 32 8.455 8.774 -0.319 1
1 311 . 6 1 1 A 32 32 THR HA H 32 4.302 4.554 -0.252 1
1 316 . 6 1 1 A 32 32 THR CA C 32 61.492 61.454 0.038 1
1 317 . 6 1 1 A 32 32 THR CB C 32 68.110 68.892 -0.782 1
1 319 . 6 1 1 A 32 32 THR N N 32 115.755 121.574 -5.819 1
1 320 . 6 1 1 A 33 33 SER H H 33 8.487 7.718 0.769 1
1 321 . 6 1 1 A 33 33 SER HA H 33 4.793 4.270 0.523 1
1 324 . 6 1 1 A 33 33 SER CA C 33 57.500 58.308 -0.808 1
1 325 . 6 1 1 A 33 33 SER CB C 33 66.510 64.362 2.148 1
1 326 . 6 1 1 A 33 33 SER N N 33 120.037 116.557 3.480 1
1 327 . 6 1 1 A 34 34 GLU H H 34 8.355 8.829 -0.474 1
1 328 . 6 1 1 A 34 34 GLU HA H 34 4.335 4.364 -0.029 1
1 333 . 6 1 1 A 34 34 GLU CA C 34 55.840 57.198 -1.358 1
1 334 . 6 1 1 A 34 34 GLU CB C 34 28.930 30.318 -1.388 1
1 336 . 6 1 1 A 34 34 GLU N N 34 116.545 122.566 -6.021 1
1 337 . 6 1 1 A 35 35 GLN H H 35 8.634 7.622 1.012 1
1 338 . 6 1 1 A 35 35 GLN HA H 35 4.664 4.672 -0.008 1
1 345 . 6 1 1 A 35 35 GLN CA C 35 53.740 55.018 -1.278 1
1 346 . 6 1 1 A 35 35 GLN CB C 35 31.696 32.492 -0.796 1
1 348 . 6 1 1 A 35 35 GLN N N 35 120.013 119.555 0.458 1
1 350 . 6 1 1 A 36 36 ASP H H 36 8.859 8.680 0.179 1
1 351 . 6 1 1 A 36 36 ASP HA H 36 4.050 4.598 -0.548 1
1 354 . 6 1 1 A 36 36 ASP CA C 36 54.640 54.493 0.147 1
1 355 . 6 1 1 A 36 36 ASP CB C 36 40.120 40.632 -0.512 1
1 356 . 6 1 1 A 36 36 ASP N N 36 124.552 122.453 2.099 1
1 357 . 6 1 1 A 37 37 GLN H H 37 8.141 8.518 -0.377 1
1 358 . 6 1 1 A 37 37 GLN HA H 37 4.786 4.820 -0.034 1
1 365 . 6 1 1 A 37 37 GLN CA C 37 50.858 52.286 -1.428 1
1 366 . 6 1 1 A 37 37 GLN CB C 37 31.860 29.473 2.387 1
1 368 . 6 1 1 A 37 37 GLN N N 37 120.015 122.860 -2.845 1
1 370 . 6 1 1 A 38 38 PRO HA H 38 4.367 4.461 -0.094 1
1 377 . 6 1 1 A 38 38 PRO CA C 38 63.330 63.302 0.028 1
1 378 . 6 1 1 A 38 38 PRO CB C 38 31.750 32.371 -0.621 1
1 381 . 6 1 1 A 39 39 MET H H 39 8.392 8.255 0.137 1
1 382 . 6 1 1 A 39 39 MET HA H 39 2.792 3.963 -1.171 1
1 390 . 6 1 1 A 39 39 MET CA C 39 53.780 58.319 -4.539 1
1 391 . 6 1 1 A 39 39 MET CB C 39 34.410 32.724 1.686 1
1 394 . 6 1 1 A 39 39 MET N N 39 124.427 123.264 1.163 1
1 395 . 6 1 1 A 40 40 GLY H H 40 7.940 7.853 0.087 1
1 396 . 6 1 1 A 40 40 GLY HA2 H 40 4.154 4.088 0.066 1
1 397 . 6 1 1 A 40 40 GLY HA3 H 40 3.763 4.151 -0.388 1
1 398 . 6 1 1 A 40 40 GLY CA C 40 48.114 44.301 3.813 1
1 399 . 6 1 1 A 40 40 GLY N N 40 108.664 106.191 2.473 1
1 400 . 6 1 1 A 41 41 GLY H H 41 7.959 8.518 -0.559 1
1 401 . 6 1 1 A 41 41 GLY HA2 H 41 4.323 3.959 0.364 1
1 402 . 6 1 1 A 41 41 GLY HA3 H 41 3.769 4.029 -0.260 1
1 403 . 6 1 1 A 41 41 GLY CA C 41 46.020 46.584 -0.564 1
1 404 . 6 1 1 A 41 41 GLY N N 41 114.027 107.887 6.140 1
1 405 . 6 1 1 A 42 42 TRP H H 42 8.667 9.064 -0.397 1
1 406 . 6 1 1 A 42 42 TRP HA H 42 4.408 5.102 -0.694 1
1 415 . 6 1 1 A 42 42 TRP CA C 42 58.925 56.660 2.265 1
1 416 . 6 1 1 A 42 42 TRP CB C 42 28.120 31.560 -3.440 1
1 422 . 6 1 1 A 42 42 TRP N N 42 122.097 126.203 -4.106 1
1 424 . 6 1 1 A 43 43 GLU H H 43 8.740 9.144 -0.404 1
1 425 . 6 1 1 A 43 43 GLU HA H 43 5.462 5.266 0.196 1
1 430 . 6 1 1 A 43 43 GLU CA C 43 54.410 55.322 -0.912 1
1 431 . 6 1 1 A 43 43 GLU CB C 43 33.980 33.199 0.781 1
1 433 . 6 1 1 A 43 43 GLU N N 43 120.300 121.705 -1.405 1
1 434 . 6 1 1 A 44 44 MET H H 44 9.658 9.600 0.058 1
1 435 . 6 1 1 A 44 44 MET HA H 44 5.488 5.311 0.177 1
1 443 . 6 1 1 A 44 44 MET CA C 44 53.360 54.323 -0.963 1
1 444 . 6 1 1 A 44 44 MET CB C 44 37.490 34.084 3.406 1
1 447 . 6 1 1 A 44 44 MET N N 44 126.477 127.348 -0.871 1
1 448 . 6 1 1 A 45 45 ILE H H 45 9.658 9.432 0.226 1
1 449 . 6 1 1 A 45 45 ILE HA H 45 4.781 4.861 -0.080 1
1 459 . 6 1 1 A 45 45 ILE CA C 45 60.413 60.587 -0.174 1
1 460 . 6 1 1 A 45 45 ILE CB C 45 40.804 38.219 2.585 1
1 464 . 6 1 1 A 45 45 ILE N N 45 127.329 127.374 -0.045 1
1 465 . 6 1 1 A 46 46 ARG H H 46 9.217 9.483 -0.266 1
1 466 . 6 1 1 A 46 46 ARG HA H 46 5.083 5.010 0.073 1
1 474 . 6 1 1 A 46 46 ARG CA C 46 53.760 54.921 -1.161 1
1 475 . 6 1 1 A 46 46 ARG CB C 46 33.559 31.951 1.608 1
1 478 . 6 1 1 A 46 46 ARG N N 46 126.837 129.577 -2.740 1
1 480 . 6 1 1 A 47 47 LYS H H 47 9.876 9.182 0.694 1
1 481 . 6 1 1 A 47 47 LYS HA H 47 5.257 4.943 0.314 1
1 490 . 6 1 1 A 47 47 LYS CA C 47 55.260 54.856 0.404 1
1 491 . 6 1 1 A 47 47 LYS CB C 47 34.860 34.488 0.372 1
1 495 . 6 1 1 A 47 47 LYS N N 47 132.271 126.283 5.988 1
1 496 . 6 1 1 A 48 48 ILE H H 48 7.909 8.961 -1.052 1
1 497 . 6 1 1 A 48 48 ILE HA H 48 4.360 4.217 0.143 1
1 507 . 6 1 1 A 48 48 ILE CA C 48 61.132 62.208 -1.076 1
1 508 . 6 1 1 A 48 48 ILE CB C 48 40.316 39.591 0.725 1
1 512 . 6 1 1 A 48 48 ILE N N 48 125.793 127.210 -1.417 1
1 513 . 6 1 1 A 49 49 GLY H H 49 9.576 7.891 1.685 1
1 514 . 6 1 1 A 49 49 GLY HA2 H 49 4.021 4.077 -0.056 1
1 515 . 6 1 1 A 49 49 GLY HA3 H 49 3.730 4.079 -0.349 1
1 516 . 6 1 1 A 49 49 GLY CA C 49 46.910 45.241 1.669 1
1 517 . 6 1 1 A 49 49 GLY N N 49 120.665 109.315 11.350 1
1 518 . 6 1 1 A 50 50 ASP H H 50 8.935 8.344 0.591 1
1 519 . 6 1 1 A 50 50 ASP HA H 50 4.777 4.500 0.277 1
1 522 . 6 1 1 A 50 50 ASP CA C 50 54.000 56.225 -2.225 1
1 523 . 6 1 1 A 50 50 ASP CB C 50 40.520 41.410 -0.890 1
1 524 . 6 1 1 A 50 50 ASP N N 50 126.343 121.524 4.819 1
1 525 . 6 1 1 A 51 51 THR H H 51 8.253 7.547 0.706 1
1 526 . 6 1 1 A 51 51 THR HA H 51 4.638 4.308 0.330 1
1 531 . 6 1 1 A 51 51 THR CA C 51 61.690 62.713 -1.023 1
1 532 . 6 1 1 A 51 51 THR CB C 51 71.080 69.546 1.534 1
1 534 . 6 1 1 A 51 51 THR N N 51 115.167 114.954 0.213 1
1 535 . 6 1 1 A 52 52 SER H H 52 8.710 8.755 -0.045 1
1 536 . 6 1 1 A 52 52 SER HA H 52 5.318 5.343 -0.025 1
1 539 . 6 1 1 A 52 52 SER CA C 52 57.290 56.340 0.950 1
1 540 . 6 1 1 A 52 52 SER CB C 52 64.730 66.551 -1.821 1
1 541 . 6 1 1 A 52 52 SER N N 52 121.442 119.073 2.369 1
1 542 . 6 1 1 A 53 53 VAL H H 53 8.448 8.794 -0.346 1
1 543 . 6 1 1 A 53 53 VAL HA H 53 4.650 5.059 -0.409 1
1 551 . 6 1 1 A 53 53 VAL CA C 53 60.449 59.781 0.668 1
1 552 . 6 1 1 A 53 53 VAL CB C 53 35.105 35.862 -0.757 1
1 555 . 6 1 1 A 53 53 VAL N N 53 121.387 120.845 0.542 1
1 556 . 6 1 1 A 54 54 SER H H 54 8.761 9.154 -0.393 1
1 557 . 6 1 1 A 54 54 SER HA H 54 5.760 5.993 -0.233 1
1 560 . 6 1 1 A 54 54 SER CA C 54 57.180 56.087 1.093 1
1 561 . 6 1 1 A 54 54 SER CB C 54 65.910 66.034 -0.124 1
1 562 . 6 1 1 A 54 54 SER N N 54 118.025 122.410 -4.385 1
1 563 . 6 1 1 A 55 55 TYR H H 55 9.340 8.874 0.466 1
1 564 . 6 1 1 A 55 55 TYR HA H 55 4.175 5.003 -0.828 1
1 571 . 6 1 1 A 55 55 TYR CA C 55 57.100 58.384 -1.284 1
1 572 . 6 1 1 A 55 55 TYR CB C 55 39.870 41.171 -1.301 1
1 577 . 6 1 1 A 55 55 TYR N N 55 128.024 121.441 6.583 1
1 578 . 6 1 1 A 56 56 LYS H H 56 7.551 8.436 -0.885 1
1 579 . 6 1 1 A 56 56 LYS HA H 56 4.890 4.840 0.050 1
1 588 . 6 1 1 A 56 56 LYS CA C 56 54.117 55.704 -1.587 1
1 589 . 6 1 1 A 56 56 LYS CB C 56 33.610 33.438 0.172 1
1 593 . 6 1 1 A 56 56 LYS N N 56 127.706 129.623 -1.917 1
1 594 . 6 1 1 A 57 57 TYR H H 57 8.247 8.956 -0.709 1
1 595 . 6 1 1 A 57 57 TYR HA H 57 3.996 4.499 -0.503 1
1 602 . 6 1 1 A 57 57 TYR CA C 57 59.032 58.612 0.420 1
1 603 . 6 1 1 A 57 57 TYR CB C 57 39.390 38.519 0.871 1
1 608 . 6 1 1 A 57 57 TYR N N 57 124.225 127.478 -3.253 1
1 609 . 6 1 1 A 58 58 THR H H 58 8.722 8.612 0.110 1
1 610 . 6 1 1 A 58 58 THR HA H 58 4.259 4.398 -0.139 1
1 615 . 6 1 1 A 58 58 THR CA C 58 62.250 61.662 0.588 1
1 616 . 6 1 1 A 58 58 THR CB C 58 69.280 69.224 0.056 1
1 618 . 6 1 1 A 58 58 THR N N 58 116.096 119.175 -3.079 1
1 619 . 6 1 1 A 59 59 SER H H 59 8.402 8.935 -0.533 1
1 620 . 6 1 1 A 59 59 SER HA H 59 4.050 4.600 -0.550 1
1 623 . 6 1 1 A 59 59 SER CA C 59 61.680 58.162 3.518 1
1 624 . 6 1 1 A 59 59 SER CB C 59 63.210 63.087 0.123 1
1 625 . 6 1 1 A 59 59 SER N N 59 114.556 123.654 -9.098 1
1 626 . 6 1 1 A 60 60 ARG H H 60 8.176 8.105 0.071 1
1 627 . 6 1 1 A 60 60 ARG HA H 60 4.489 4.318 0.171 1
1 634 . 6 1 1 A 60 60 ARG CA C 60 54.960 57.621 -2.661 1
1 635 . 6 1 1 A 60 60 ARG CB C 60 29.846 30.062 -0.216 1
1 638 . 6 1 1 A 60 60 ARG N N 60 118.244 119.891 -1.647 1
1 639 . 6 1 1 A 61 61 TYR H H 61 7.617 7.503 0.114 1
1 640 . 6 1 1 A 61 61 TYR HA H 61 3.897 4.967 -1.070 1
1 647 . 6 1 1 A 61 61 TYR CA C 61 61.930 56.449 5.481 1
1 648 . 6 1 1 A 61 61 TYR CB C 61 38.670 40.123 -1.453 1
1 653 . 6 1 1 A 61 61 TYR N N 61 122.301 116.138 6.163 1
1 654 . 6 1 1 A 62 62 VAL H H 62 7.363 8.830 -1.467 1
1 655 . 6 1 1 A 62 62 VAL HA H 62 3.893 4.547 -0.654 1
1 663 . 6 1 1 A 62 62 VAL CA C 62 60.590 60.946 -0.356 1
1 664 . 6 1 1 A 62 62 VAL CB C 62 35.270 33.127 2.143 1
1 667 . 6 1 1 A 62 62 VAL N N 62 129.952 117.518 12.434 1
1 668 . 6 1 1 A 63 63 LEU H H 63 7.852 8.712 -0.860 1
1 669 . 6 1 1 A 63 63 LEU HA H 63 4.558 4.831 -0.273 1
1 679 . 6 1 1 A 63 63 LEU CA C 63 51.980 54.334 -2.354 1
1 680 . 6 1 1 A 63 63 LEU CB C 63 42.600 42.665 -0.065 1
1 684 . 6 1 1 A 63 63 LEU N N 63 128.635 128.104 0.531 1
1 685 . 6 1 1 A 64 64 LYS H H 64 8.770 8.504 0.266 1
1 686 . 6 1 1 A 64 64 LYS HA H 64 3.722 4.261 -0.539 1
1 695 . 6 1 1 A 64 64 LYS CA C 64 57.360 56.411 0.949 1
1 696 . 6 1 1 A 64 64 LYS CB C 64 32.381 33.075 -0.694 1
1 700 . 6 1 1 A 64 64 LYS N N 64 130.633 127.472 3.161 1
1 701 . 6 1 1 A 65 65 ALA H H 65 8.628 8.196 0.432 1
1 702 . 6 1 1 A 65 65 ALA HA H 65 3.557 3.968 -0.411 1
1 706 . 6 1 1 A 65 65 ALA CA C 65 53.700 53.752 -0.052 1
1 707 . 6 1 1 A 65 65 ALA CB C 65 18.660 18.492 0.168 1
1 708 . 6 1 1 A 65 65 ALA N N 65 123.214 125.395 -2.181 1
1 709 . 6 1 1 A 66 66 GLY H H 66 7.505 8.593 -1.088 1
1 710 . 6 1 1 A 66 66 GLY HA2 H 66 4.020 3.911 0.109 1
1 711 . 6 1 1 A 66 66 GLY HA3 H 66 4.020 3.913 0.107 1
1 712 . 6 1 1 A 66 66 GLY CA C 66 46.864 45.458 1.406 1
1 713 . 6 1 1 A 66 66 GLY N N 66 112.913 110.476 2.437 1
1 714 . 6 1 1 A 67 67 GLN H H 67 8.136 7.352 0.784 1
1 715 . 6 1 1 A 67 67 GLN HA H 67 4.436 4.479 -0.043 1
1 722 . 6 1 1 A 67 67 GLN CA C 67 55.029 55.581 -0.552 1
1 723 . 6 1 1 A 67 67 GLN CB C 67 29.700 29.786 -0.086 1
1 725 . 6 1 1 A 67 67 GLN N N 67 118.759 119.528 -0.769 1
1 727 . 6 1 1 A 68 68 THR H H 68 8.066 8.668 -0.602 1
1 728 . 6 1 1 A 68 68 THR HA H 68 5.414 4.852 0.562 1
1 733 . 6 1 1 A 68 68 THR CA C 68 60.050 60.764 -0.714 1
1 734 . 6 1 1 A 68 68 THR CB C 68 72.052 69.013 3.039 1
1 736 . 6 1 1 A 68 68 THR N N 68 111.842 116.351 -4.509 1
1 737 . 6 1 1 A 69 69 VAL H H 69 8.780 8.876 -0.096 1
1 738 . 6 1 1 A 69 69 VAL HA H 69 4.989 4.147 0.842 1
1 746 . 6 1 1 A 69 69 VAL CA C 69 59.265 63.292 -4.027 1
1 747 . 6 1 1 A 69 69 VAL CB C 69 33.600 31.909 1.691 1
1 750 . 6 1 1 A 69 69 VAL N N 69 120.958 127.298 -6.340 1
1 751 . 6 1 1 A 70 70 THR H H 70 8.660 8.776 -0.116 1
1 752 . 6 1 1 A 70 70 THR HA H 70 4.618 4.853 -0.235 1
1 757 . 6 1 1 A 70 70 THR CA C 70 61.730 62.321 -0.591 1
1 758 . 6 1 1 A 70 70 THR CB C 70 69.550 69.529 0.021 1
1 760 . 6 1 1 A 70 70 THR N N 70 125.533 125.239 0.294 1
1 761 . 6 1 1 A 71 71 ILE H H 71 8.994 9.332 -0.338 1
1 762 . 6 1 1 A 71 71 ILE HA H 71 4.369 5.120 -0.751 1
1 772 . 6 1 1 A 71 71 ILE CA C 71 59.162 61.032 -1.870 1
1 773 . 6 1 1 A 71 71 ILE CB C 71 36.826 37.833 -1.007 1
1 777 . 6 1 1 A 71 71 ILE N N 71 127.838 127.819 0.019 1
1 778 . 6 1 1 A 72 72 TRP H H 72 9.270 8.822 0.448 1
1 779 . 6 1 1 A 72 72 TRP HA H 72 5.167 5.030 0.137 1
1 788 . 6 1 1 A 72 72 TRP CA C 72 56.180 57.370 -1.190 1
1 789 . 6 1 1 A 72 72 TRP CB C 72 31.490 30.342 1.148 1
1 795 . 6 1 1 A 72 72 TRP N N 72 127.112 129.443 -2.331 1
1 797 . 6 1 1 A 73 73 ALA H H 73 9.010 8.869 0.141 1
1 798 . 6 1 1 A 73 73 ALA HA H 73 4.617 4.680 -0.063 1
1 802 . 6 1 1 A 73 73 ALA CA C 73 52.110 52.580 -0.470 1
1 803 . 6 1 1 A 73 73 ALA CB C 73 19.070 19.622 -0.552 1
1 804 . 6 1 1 A 73 73 ALA N N 73 122.140 125.349 -3.209 1
1 805 . 6 1 1 A 74 74 ALA H H 74 9.002 7.924 1.078 1
1 806 . 6 1 1 A 74 74 ALA HA H 74 4.042 4.309 -0.267 1
1 810 . 6 1 1 A 74 74 ALA CA C 74 54.650 55.213 -0.563 1
1 811 . 6 1 1 A 74 74 ALA CB C 74 18.070 18.298 -0.228 1
1 812 . 6 1 1 A 74 74 ALA N N 74 123.213 122.738 0.475 1
1 813 . 6 1 1 A 75 75 ASN H H 75 8.162 7.980 0.182 1
1 814 . 6 1 1 A 75 75 ASN HA H 75 5.015 4.837 0.178 1
1 819 . 6 1 1 A 75 75 ASN CA C 75 51.650 53.351 -1.701 1
1 820 . 6 1 1 A 75 75 ASN CB C 75 36.590 38.740 -2.150 1
1 821 . 6 1 1 A 75 75 ASN N N 75 112.259 115.306 -3.047 1
1 823 . 6 1 1 A 76 76 ALA H H 76 7.605 7.421 0.184 1
1 824 . 6 1 1 A 76 76 ALA HA H 76 4.281 4.393 -0.112 1
1 828 . 6 1 1 A 76 76 ALA CA C 76 53.203 53.156 0.047 1
1 829 . 6 1 1 A 76 76 ALA CB C 76 20.210 19.519 0.691 1
1 830 . 6 1 1 A 76 76 ALA N N 76 120.777 122.589 -1.812 1
1 831 . 6 1 1 A 77 77 GLY H H 77 8.449 8.135 0.314 1
1 832 . 6 1 1 A 77 77 GLY HA2 H 77 3.960 3.960 0.000 1
1 833 . 6 1 1 A 77 77 GLY HA3 H 77 3.537 3.964 -0.427 1
1 834 . 6 1 1 A 77 77 GLY CA C 77 45.410 45.335 0.075 1
1 835 . 6 1 1 A 77 77 GLY N N 77 107.064 107.525 -0.461 1
1 836 . 6 1 1 A 78 78 VAL H H 78 7.286 7.629 -0.343 1
1 837 . 6 1 1 A 78 78 VAL HA H 78 3.804 4.150 -0.346 1
1 845 . 6 1 1 A 78 78 VAL CA C 78 60.736 61.581 -0.845 1
1 846 . 6 1 1 A 78 78 VAL CB C 78 33.590 33.145 0.445 1
1 849 . 6 1 1 A 78 78 VAL N N 78 120.566 118.997 1.569 1
1 850 . 6 1 1 A 79 79 THR H H 79 8.148 8.194 -0.046 1
1 851 . 6 1 1 A 79 79 THR HA H 79 4.145 4.061 0.084 1
1 856 . 6 1 1 A 79 79 THR CA C 79 61.395 63.850 -2.455 1
1 857 . 6 1 1 A 79 79 THR CB C 79 69.620 68.103 1.517 1
1 859 . 6 1 1 A 79 79 THR N N 79 121.617 116.685 4.932 1
1 860 . 6 1 1 A 80 80 ALA H H 80 8.593 8.887 -0.294 1
1 861 . 6 1 1 A 80 80 ALA HA H 80 3.703 4.344 -0.641 1
1 865 . 6 1 1 A 80 80 ALA CA C 80 53.410 52.553 0.857 1
1 866 . 6 1 1 A 80 80 ALA CB C 80 19.180 19.555 -0.375 1
1 867 . 6 1 1 A 80 80 ALA N N 80 126.311 130.039 -3.728 1
1 868 . 6 1 1 A 81 81 SER H H 81 9.101 7.758 1.343 1
1 869 . 6 1 1 A 81 81 SER HA H 81 4.747 4.861 -0.114 1
1 872 . 6 1 1 A 81 81 SER CA C 81 55.046 54.622 0.424 1
1 873 . 6 1 1 A 81 81 SER CB C 81 62.680 64.935 -2.255 1
1 874 . 6 1 1 A 81 81 SER N N 81 114.816 114.092 0.724 1
1 875 . 6 1 1 A 82 82 PRO HA H 82 4.328 4.575 -0.247 1
1 882 . 6 1 1 A 82 82 PRO CA C 82 62.158 61.784 0.374 1
1 883 . 6 1 1 A 82 82 PRO CB C 82 30.480 32.495 -2.015 1
1 886 . 6 1 1 A 83 83 PRO HA H 83 4.821 4.396 0.425 1
1 893 . 6 1 1 A 83 83 PRO CA C 83 64.384 62.096 2.288 1
1 894 . 6 1 1 A 83 83 PRO CB C 83 34.750 31.451 3.299 1
1 897 . 6 1 1 A 84 84 THR H H 84 8.007 8.638 -0.631 1
1 898 . 6 1 1 A 84 84 THR HA H 84 4.567 4.565 0.002 1
1 903 . 6 1 1 A 84 84 THR CA C 84 64.770 60.324 4.446 1
1 904 . 6 1 1 A 84 84 THR CB C 84 69.370 70.298 -0.928 1
1 906 . 6 1 1 A 84 84 THR N N 84 114.629 116.239 -1.610 1
1 907 . 6 1 1 A 85 85 ASP H H 85 7.952 8.562 -0.610 1
1 908 . 6 1 1 A 85 85 ASP HA H 85 5.950 4.635 1.315 1
1 911 . 6 1 1 A 85 85 ASP CA C 85 54.110 54.735 -0.625 1
1 912 . 6 1 1 A 85 85 ASP CB C 85 43.510 40.401 3.109 1
1 913 . 6 1 1 A 85 85 ASP N N 85 124.539 123.263 1.276 1
1 914 . 6 1 1 A 86 86 LEU H H 86 9.271 8.504 0.767 1
1 915 . 6 1 1 A 86 86 LEU HA H 86 4.953 4.211 0.742 1
1 925 . 6 1 1 A 86 86 LEU CA C 86 52.230 55.723 -3.493 1
1 926 . 6 1 1 A 86 86 LEU CB C 86 44.070 41.663 2.407 1
1 930 . 6 1 1 A 86 86 LEU N N 86 124.265 125.043 -0.778 1
1 931 . 6 1 1 A 87 87 ILE H H 87 8.691 8.648 0.043 1
1 932 . 6 1 1 A 87 87 ILE HA H 87 4.802 4.337 0.465 1
1 942 . 6 1 1 A 87 87 ILE CA C 87 58.694 61.130 -2.436 1
1 943 . 6 1 1 A 87 87 ILE CB C 87 37.945 37.971 -0.026 1
1 947 . 6 1 1 A 87 87 ILE N N 87 119.475 125.365 -5.890 1
1 948 . 6 1 1 A 88 88 TRP H H 88 9.755 9.190 0.565 1
1 949 . 6 1 1 A 88 88 TRP HA H 88 4.918 4.216 0.702 1
1 958 . 6 1 1 A 88 88 TRP CA C 88 54.900 57.937 -3.037 1
1 959 . 6 1 1 A 88 88 TRP CB C 88 27.270 29.979 -2.709 1
1 965 . 6 1 1 A 88 88 TRP N N 88 132.610 130.240 2.370 1
1 967 . 6 1 1 A 89 89 LYS H H 89 8.282 9.126 -0.844 1
1 968 . 6 1 1 A 89 89 LYS HA H 89 3.996 4.587 -0.591 1
1 977 . 6 1 1 A 89 89 LYS CA C 89 58.847 55.430 3.417 1
1 978 . 6 1 1 A 89 89 LYS CB C 89 32.360 33.027 -0.667 1
1 982 . 6 1 1 A 89 89 LYS N N 89 125.513 127.519 -2.006 1
1 983 . 6 1 1 A 90 90 ASN H H 90 8.810 7.333 1.477 1
1 984 . 6 1 1 A 90 90 ASN HA H 90 4.434 4.793 -0.359 1
1 989 . 6 1 1 A 90 90 ASN CA C 90 54.010 53.747 0.263 1
1 990 . 6 1 1 A 90 90 ASN CB C 90 37.770 41.417 -3.647 1
1 991 . 6 1 1 A 90 90 ASN N N 90 114.946 115.537 -0.591 1
1 993 . 6 1 1 A 91 91 GLN H H 91 7.546 6.637 0.909 1
1 994 . 6 1 1 A 91 91 GLN HA H 91 4.412 4.626 -0.214 1
1 1001 . 6 1 1 A 91 91 GLN CA C 91 53.520 53.883 -0.363 1
1 1002 . 6 1 1 A 91 91 GLN CB C 91 28.470 31.700 -3.230 1
1 1004 . 6 1 1 A 91 91 GLN N N 91 117.746 117.712 0.034 1
1 1006 . 6 1 1 A 92 92 ASN H H 92 8.451 8.452 -0.001 1
1 1007 . 6 1 1 A 92 92 ASN HA H 92 4.876 5.014 -0.138 1
1 1012 . 6 1 1 A 92 92 ASN CA C 92 52.080 52.143 -0.063 1
1 1013 . 6 1 1 A 92 92 ASN CB C 92 39.400 40.031 -0.631 1
1 1014 . 6 1 1 A 92 92 ASN N N 92 123.697 123.828 -0.131 1
1 1016 . 6 1 1 A 93 93 SER H H 93 9.337 8.724 0.613 1
1 1017 . 6 1 1 A 93 93 SER HA H 93 3.977 4.295 -0.318 1
1 1020 . 6 1 1 A 93 93 SER CA C 93 58.940 59.756 -0.816 1
1 1021 . 6 1 1 A 93 93 SER CB C 93 62.940 63.657 -0.717 1
1 1022 . 6 1 1 A 93 93 SER N N 93 117.010 116.630 0.380 1
1 1023 . 6 1 1 A 94 94 TRP H H 94 7.857 8.344 -0.487 1
1 1024 . 6 1 1 A 94 94 TRP HA H 94 4.905 5.557 -0.652 1
1 1033 . 6 1 1 A 94 94 TRP CA C 94 56.770 55.105 1.665 1
1 1034 . 6 1 1 A 94 94 TRP CB C 94 27.900 31.259 -3.359 1
1 1039 . 6 1 1 A 94 94 TRP N N 94 120.449 124.285 -3.836 1
1 1041 . 6 1 1 A 95 95 GLY H H 95 7.795 8.794 -0.999 1
1 1042 . 6 1 1 A 95 95 GLY HA2 H 95 3.953 4.171 -0.218 1
1 1043 . 6 1 1 A 95 95 GLY HA3 H 95 3.763 4.172 -0.409 1
1 1044 . 6 1 1 A 95 95 GLY CA C 95 45.487 45.761 -0.274 1
1 1045 . 6 1 1 A 95 95 GLY N N 95 109.481 110.111 -0.630 1
1 1046 . 6 1 1 A 96 96 THR H H 96 8.028 8.846 -0.818 1
1 1047 . 6 1 1 A 96 96 THR HA H 96 4.696 4.643 0.053 1
1 1052 . 6 1 1 A 96 96 THR CA C 96 60.880 62.045 -1.165 1
1 1053 . 6 1 1 A 96 96 THR CB C 96 70.040 71.456 -1.416 1
1 1055 . 6 1 1 A 96 96 THR N N 96 112.538 114.693 -2.155 1
1 1056 . 6 1 1 A 97 97 GLY H H 97 8.443 8.416 0.027 1
1 1057 . 6 1 1 A 97 97 GLY HA2 H 97 3.482 3.956 -0.474 1
1 1058 . 6 1 1 A 97 97 GLY HA3 H 97 3.862 3.962 -0.100 1
1 1059 . 6 1 1 A 97 97 GLY CA C 97 45.945 45.648 0.297 1
1 1060 . 6 1 1 A 97 97 GLY N N 97 111.464 111.743 -0.279 1
1 1061 . 6 1 1 A 98 98 GLU H H 98 8.010 7.779 0.231 1
1 1062 . 6 1 1 A 98 98 GLU HA H 98 4.471 4.554 -0.083 1
1 1067 . 6 1 1 A 98 98 GLU CA C 98 54.730 55.198 -0.468 1
1 1068 . 6 1 1 A 98 98 GLU CB C 98 30.719 30.787 -0.068 1
1 1070 . 6 1 1 A 98 98 GLU N N 98 118.563 120.456 -1.893 1
1 1071 . 6 1 1 A 99 99 ASP H H 99 8.680 8.492 0.188 1
1 1072 . 6 1 1 A 99 99 ASP HA H 99 4.612 5.071 -0.459 1
1 1075 . 6 1 1 A 99 99 ASP CA C 99 54.451 54.374 0.077 1
1 1076 . 6 1 1 A 99 99 ASP CB C 99 39.540 40.797 -1.257 1
1 1077 . 6 1 1 A 99 99 ASP N N 99 122.219 122.451 -0.232 1
1 1078 . 6 1 1 A 100 100 VAL H H 100 8.215 8.231 -0.016 1
1 1079 . 6 1 1 A 100 100 VAL HA H 100 4.495 4.748 -0.253 1
1 1087 . 6 1 1 A 100 100 VAL CA C 100 60.920 59.947 0.973 1
1 1088 . 6 1 1 A 100 100 VAL CB C 100 34.150 34.009 0.141 1
1 1091 . 6 1 1 A 100 100 VAL N N 100 123.901 122.664 1.237 1
1 1092 . 6 1 1 A 101 101 LYS H H 101 8.600 8.949 -0.349 1
1 1093 . 6 1 1 A 101 101 LYS HA H 101 5.112 4.704 0.408 1
1 1102 . 6 1 1 A 101 101 LYS CA C 101 54.718 55.655 -0.937 1
1 1103 . 6 1 1 A 101 101 LYS CB C 101 35.326 33.567 1.759 1
1 1107 . 6 1 1 A 101 101 LYS N N 101 126.635 130.480 -3.845 1
1 1108 . 6 1 1 A 102 102 VAL H H 102 9.209 8.923 0.286 1
1 1109 . 6 1 1 A 102 102 VAL HA H 102 5.405 4.757 0.648 1
1 1117 . 6 1 1 A 102 102 VAL CA C 102 59.950 61.515 -1.565 1
1 1118 . 6 1 1 A 102 102 VAL CB C 102 34.420 33.152 1.268 1
1 1121 . 6 1 1 A 102 102 VAL N N 102 125.573 127.952 -2.379 1
1 1122 . 6 1 1 A 103 103 ILE H H 103 8.968 9.511 -0.543 1
1 1123 . 6 1 1 A 103 103 ILE HA H 103 4.671 4.833 -0.162 1
1 1133 . 6 1 1 A 103 103 ILE CA C 103 59.790 59.432 0.358 1
1 1134 . 6 1 1 A 103 103 ILE CB C 103 42.522 39.199 3.323 1
1 1138 . 6 1 1 A 103 103 ILE N N 103 125.593 128.893 -3.300 1
1 1139 . 6 1 1 A 104 104 LEU H H 104 9.017 9.247 -0.230 1
1 1140 . 6 1 1 A 104 104 LEU HA H 104 5.361 5.155 0.206 1
1 1150 . 6 1 1 A 104 104 LEU CA C 104 52.800 53.752 -0.952 1
1 1151 . 6 1 1 A 104 104 LEU CB C 104 46.200 42.885 3.315 1
1 1155 . 6 1 1 A 104 104 LEU N N 104 127.791 127.536 0.255 1
1 1156 . 6 1 1 A 105 105 LYS H H 105 9.674 9.088 0.586 1
1 1157 . 6 1 1 A 105 105 LYS HA H 105 5.194 5.203 -0.009 1
1 1166 . 6 1 1 A 105 105 LYS CA C 105 53.780 54.210 -0.430 1
1 1167 . 6 1 1 A 105 105 LYS CB C 105 36.330 35.588 0.742 1
1 1171 . 6 1 1 A 105 105 LYS N N 105 126.536 123.770 2.766 1
1 1172 . 6 1 1 A 106 106 ASN H H 106 7.774 8.568 -0.794 1
1 1173 . 6 1 1 A 106 106 ASN HA H 106 2.714 4.737 -2.023 1
1 1178 . 6 1 1 A 106 106 ASN CA C 106 49.530 51.208 -1.678 1
1 1179 . 6 1 1 A 106 106 ASN CB C 106 36.940 40.960 -4.020 1
1 1180 . 6 1 1 A 106 106 ASN N N 106 116.550 118.406 -1.856 1
1 1182 . 6 1 1 A 107 107 SER H H 107 6.988 8.423 -1.435 1
1 1183 . 6 1 1 A 107 107 SER HA H 107 4.092 4.098 -0.006 1
1 1186 . 6 1 1 A 107 107 SER CA C 107 60.490 60.868 -0.378 1
1 1187 . 6 1 1 A 107 107 SER CB C 107 62.510 62.814 -0.304 1
1 1188 . 6 1 1 A 107 107 SER N N 107 112.400 116.774 -4.374 1
1 1189 . 6 1 1 A 108 108 GLN H H 108 7.414 7.454 -0.040 1
1 1190 . 6 1 1 A 108 108 GLN HA H 108 4.404 4.341 0.063 1
1 1197 . 6 1 1 A 108 108 GLN CA C 108 55.470 55.523 -0.053 1
1 1198 . 6 1 1 A 108 108 GLN CB C 108 28.400 29.469 -1.069 1
1 1200 . 6 1 1 A 108 108 GLN N N 108 119.000 117.272 1.728 1
1 1202 . 6 1 1 A 109 109 GLY H H 109 7.835 8.027 -0.192 1
1 1203 . 6 1 1 A 109 109 GLY HA2 H 109 4.136 3.882 0.254 1
1 1204 . 6 1 1 A 109 109 GLY HA3 H 109 3.530 3.889 -0.359 1
1 1205 . 6 1 1 A 109 109 GLY CA C 109 45.549 45.360 0.189 1
1 1206 . 6 1 1 A 109 109 GLY N N 109 107.333 107.728 -0.395 1
1 1207 . 6 1 1 A 110 110 GLU H H 110 7.562 7.950 -0.388 1
1 1208 . 6 1 1 A 110 110 GLU HA H 110 4.209 4.290 -0.081 1
1 1213 . 6 1 1 A 110 110 GLU CA C 110 54.320 56.386 -2.066 1
1 1214 . 6 1 1 A 110 110 GLU CB C 110 29.760 29.821 -0.061 1
1 1216 . 6 1 1 A 110 110 GLU N N 110 120.137 121.241 -1.104 1
1 1217 . 6 1 1 A 111 111 GLU H H 111 8.799 8.596 0.203 1
1 1218 . 6 1 1 A 111 111 GLU HA H 111 4.194 4.394 -0.200 1
1 1223 . 6 1 1 A 111 111 GLU CA C 111 57.160 56.290 0.870 1
1 1224 . 6 1 1 A 111 111 GLU CB C 111 29.175 29.675 -0.500 1
1 1226 . 6 1 1 A 111 111 GLU N N 111 123.867 125.299 -1.432 1
1 1227 . 6 1 1 A 112 112 VAL H H 112 9.093 8.751 0.342 1
1 1228 . 6 1 1 A 112 112 VAL HA H 112 4.330 4.289 0.041 1
1 1236 . 6 1 1 A 112 112 VAL CA C 112 61.529 62.367 -0.838 1
1 1237 . 6 1 1 A 112 112 VAL CB C 112 33.230 32.917 0.313 1
1 1240 . 6 1 1 A 112 112 VAL N N 112 122.642 121.851 0.791 1
1 1241 . 6 1 1 A 113 113 ALA H H 113 7.793 7.284 0.509 1
1 1242 . 6 1 1 A 113 113 ALA HA H 113 4.770 4.707 0.063 1
1 1246 . 6 1 1 A 113 113 ALA CA C 113 52.449 51.145 1.304 1
1 1247 . 6 1 1 A 113 113 ALA CB C 113 22.400 21.898 0.502 1
1 1248 . 6 1 1 A 113 113 ALA N N 113 121.070 121.724 -0.654 1
1 1249 . 6 1 1 A 114 114 GLN H H 114 8.450 8.857 -0.407 1
1 1250 . 6 1 1 A 114 114 GLN HA H 114 5.404 5.312 0.092 1
1 1257 . 6 1 1 A 114 114 GLN CA C 114 54.830 53.969 0.861 1
1 1258 . 6 1 1 A 114 114 GLN CB C 114 32.307 32.241 0.066 1
1 1260 . 6 1 1 A 114 114 GLN N N 114 115.851 120.339 -4.488 1
1 1262 . 6 1 1 A 115 115 ARG H H 115 8.989 8.536 0.453 1
1 1263 . 6 1 1 A 115 115 ARG HA H 115 4.555 4.847 -0.292 1
1 1270 . 6 1 1 A 115 115 ARG CA C 115 56.350 55.585 0.765 1
1 1271 . 6 1 1 A 115 115 ARG CB C 115 33.730 34.410 -0.680 1
1 1274 . 6 1 1 A 115 115 ARG N N 115 122.920 121.790 1.130 1
1 1275 . 6 1 1 A 116 116 SER H H 116 8.511 8.431 0.080 1
1 1276 . 6 1 1 A 116 116 SER HA H 116 5.756 5.136 0.620 1
1 1279 . 6 1 1 A 116 116 SER CA C 116 56.400 56.833 -0.433 1
1 1280 . 6 1 1 A 116 116 SER CB C 116 65.770 66.510 -0.740 1
1 1281 . 6 1 1 A 116 116 SER N N 116 119.807 116.700 3.107 1
1 1282 . 6 1 1 A 117 117 THR H H 117 8.801 8.338 0.463 1
1 1283 . 6 1 1 A 117 117 THR HA H 117 4.378 4.369 0.009 1
1 1288 . 6 1 1 A 117 117 THR CA C 117 62.160 61.441 0.719 1
1 1289 . 6 1 1 A 117 117 THR CB C 117 70.010 70.960 -0.950 1
1 1291 . 6 1 1 A 117 117 THR N N 117 116.435 113.831 2.604 1
1 1292 . 6 1 1 A 118 118 VAL H H 118 8.165 8.577 -0.412 1
1 1293 . 6 1 1 A 118 118 VAL HA H 118 4.227 4.404 -0.177 1
1 1301 . 6 1 1 A 118 118 VAL CA C 118 61.320 61.319 0.001 1
1 1302 . 6 1 1 A 118 118 VAL CB C 118 32.931 32.652 0.279 1
1 1305 . 6 1 1 A 118 118 VAL N N 118 122.111 120.256 1.855 1
1 1306 . 6 1 1 A 119 119 PHE H H 119 8.580 8.144 0.436 1
1 1307 . 6 1 1 A 119 119 PHE HA H 119 4.655 4.100 0.555 1
1 1314 . 6 1 1 A 119 119 PHE CA C 119 57.520 58.209 -0.689 1
1 1315 . 6 1 1 A 119 119 PHE CB C 119 39.550 36.977 2.573 1
1 1320 . 6 1 1 A 119 119 PHE N N 119 126.006 124.795 1.211 1
1 1321 . 6 1 1 A 120 120 LYS H H 120 8.346 7.888 0.458 1
1 1322 . 6 1 1 A 120 120 LYS HA H 120 4.432 5.006 -0.574 1
1 1331 . 6 1 1 A 120 120 LYS CA C 120 55.740 54.519 1.221 1
1 1332 . 6 1 1 A 120 120 LYS CB C 120 33.290 35.058 -1.768 1
1 1336 . 6 1 1 A 120 120 LYS N N 120 124.095 120.252 3.843 1
1 1337 . 6 1 1 A 121 121 THR H H 121 8.294 8.914 -0.620 1
1 1338 . 6 1 1 A 121 121 THR HA H 121 4.394 4.716 -0.322 1
1 1343 . 6 1 1 A 121 121 THR CA C 121 61.610 60.467 1.143 1
1 1344 . 6 1 1 A 121 121 THR CB C 121 69.640 68.503 1.137 1
1 1346 . 6 1 1 A 121 121 THR N N 121 116.359 121.639 -5.280 1
1 1 . 7 1 1 A 3 3 HIS H H 3 8.528 8.117 0.411 1
1 2 . 7 1 1 A 3 3 HIS HA H 3 4.626 4.438 0.188 1
1 5 . 7 1 1 A 3 3 HIS CA C 3 55.260 56.127 -0.867 1
1 6 . 7 1 1 A 3 3 HIS CB C 3 29.250 29.840 -0.590 1
1 7 . 7 1 1 A 3 3 HIS N N 3 118.990 119.233 -0.243 1
1 8 . 7 1 1 A 4 4 HIS H H 4 8.528 8.746 -0.218 1
1 9 . 7 1 1 A 4 4 HIS HA H 4 4.624 4.902 -0.278 1
1 12 . 7 1 1 A 4 4 HIS CA C 4 55.277 54.498 0.779 1
1 13 . 7 1 1 A 4 4 HIS CB C 4 29.002 34.178 -5.176 1
1 14 . 7 1 1 A 4 4 HIS N N 4 118.990 119.512 -0.522 1
1 15 . 7 1 1 A 5 5 HIS H H 5 8.579 8.955 -0.376 1
1 16 . 7 1 1 A 5 5 HIS HA H 5 4.737 5.177 -0.440 1
1 19 . 7 1 1 A 5 5 HIS CA C 5 55.330 53.957 1.373 1
1 20 . 7 1 1 A 5 5 HIS CB C 5 29.257 32.372 -3.115 1
1 21 . 7 1 1 A 5 5 HIS N N 5 119.720 118.133 1.587 1
1 22 . 7 1 1 A 6 6 HIS H H 6 8.603 8.954 -0.351 1
1 23 . 7 1 1 A 6 6 HIS HA H 6 4.674 4.691 -0.017 1
1 26 . 7 1 1 A 6 6 HIS CA C 6 55.150 56.145 -0.995 1
1 27 . 7 1 1 A 6 6 HIS CB C 6 27.340 29.183 -1.843 1
1 28 . 7 1 1 A 6 6 HIS N N 6 121.420 120.847 0.573 1
1 29 . 7 1 1 A 7 7 HIS H H 7 8.706 8.682 0.024 1
1 30 . 7 1 1 A 7 7 HIS HA H 7 4.658 5.348 -0.690 1
1 33 . 7 1 1 A 7 7 HIS CA C 7 55.100 53.839 1.261 1
1 34 . 7 1 1 A 7 7 HIS CB C 7 29.300 32.819 -3.519 1
1 35 . 7 1 1 A 7 7 HIS N N 7 121.200 124.416 -3.216 1
1 36 . 7 1 1 A 8 8 HIS H H 8 8.706 8.562 0.144 1
1 37 . 7 1 1 A 8 8 HIS HA H 8 4.706 5.509 -0.803 1
1 40 . 7 1 1 A 8 8 HIS CA C 8 55.156 54.103 1.053 1
1 41 . 7 1 1 A 8 8 HIS CB C 8 29.396 33.523 -4.127 1
1 42 . 7 1 1 A 8 8 HIS N N 8 121.200 121.510 -0.310 1
1 43 . 7 1 1 A 9 9 SER H H 9 8.551 8.675 -0.124 1
1 44 . 7 1 1 A 9 9 SER HA H 9 4.450 4.832 -0.382 1
1 47 . 7 1 1 A 9 9 SER CA C 9 58.200 56.953 1.247 1
1 48 . 7 1 1 A 9 9 SER CB C 9 63.740 64.745 -1.005 1
1 49 . 7 1 1 A 9 9 SER N N 9 118.046 113.951 4.095 1
1 50 . 7 1 1 A 10 10 HIS H H 10 8.770 8.981 -0.211 1
1 51 . 7 1 1 A 10 10 HIS HA H 10 4.726 4.865 -0.139 1
1 54 . 7 1 1 A 10 10 HIS CA C 10 55.640 55.374 0.266 1
1 55 . 7 1 1 A 10 10 HIS CB C 10 29.172 28.840 0.332 1
1 56 . 7 1 1 A 10 10 HIS N N 10 120.412 121.897 -1.485 1
1 57 . 7 1 1 A 11 11 MET H H 11 8.528 8.728 -0.200 1
1 58 . 7 1 1 A 11 11 MET HA H 11 4.658 4.752 -0.094 1
1 66 . 7 1 1 A 11 11 MET CA C 11 55.438 54.334 1.104 1
1 67 . 7 1 1 A 11 11 MET CB C 11 33.090 33.532 -0.442 1
1 70 . 7 1 1 A 11 11 MET N N 11 122.400 124.875 -2.475 1
1 71 . 7 1 1 A 12 12 THR H H 12 8.339 8.931 -0.592 1
1 72 . 7 1 1 A 12 12 THR HA H 12 4.450 3.980 0.470 1
1 77 . 7 1 1 A 12 12 THR CA C 12 61.810 65.185 -3.375 1
1 78 . 7 1 1 A 12 12 THR CB C 12 70.450 69.575 0.875 1
1 80 . 7 1 1 A 12 12 THR N N 12 115.700 120.280 -4.580 1
1 81 . 7 1 1 A 13 13 GLY H H 13 8.426 7.719 0.707 1
1 82 . 7 1 1 A 13 13 GLY HA2 H 13 4.287 4.051 0.236 1
1 83 . 7 1 1 A 13 13 GLY HA3 H 13 3.877 4.139 -0.262 1
1 84 . 7 1 1 A 13 13 GLY CA C 13 45.243 46.821 -1.578 1
1 85 . 7 1 1 A 13 13 GLY N N 13 110.872 108.287 2.585 1
1 86 . 7 1 1 A 14 14 ASN H H 14 8.374 8.579 -0.205 1
1 87 . 7 1 1 A 14 14 ASN HA H 14 4.720 5.115 -0.395 1
1 92 . 7 1 1 A 14 14 ASN CA C 14 54.200 52.538 1.662 1
1 93 . 7 1 1 A 14 14 ASN CB C 14 39.210 39.618 -0.408 1
1 94 . 7 1 1 A 14 14 ASN N N 14 117.789 117.804 -0.015 1
1 96 . 7 1 1 A 15 15 VAL H H 15 7.890 7.406 0.484 1
1 97 . 7 1 1 A 15 15 VAL HA H 15 4.843 4.104 0.739 1
1 105 . 7 1 1 A 15 15 VAL CA C 15 61.759 62.364 -0.605 1
1 106 . 7 1 1 A 15 15 VAL CB C 15 33.230 30.056 3.174 1
1 109 . 7 1 1 A 15 15 VAL N N 15 118.720 120.406 -1.686 1
1 110 . 7 1 1 A 16 16 CYS H H 16 9.060 8.076 0.984 1
1 111 . 7 1 1 A 16 16 CYS HA H 16 4.899 5.208 -0.309 1
1 114 . 7 1 1 A 16 16 CYS CA C 16 54.620 57.055 -2.435 1
1 115 . 7 1 1 A 16 16 CYS CB C 16 30.900 30.004 0.896 1
1 116 . 7 1 1 A 16 16 CYS N N 16 122.674 125.270 -2.596 1
1 117 . 7 1 1 A 17 17 ILE H H 17 8.845 8.885 -0.040 1
1 118 . 7 1 1 A 17 17 ILE HA H 17 4.153 4.189 -0.036 1
1 128 . 7 1 1 A 17 17 ILE CA C 17 61.080 61.417 -0.337 1
1 129 . 7 1 1 A 17 17 ILE CB C 17 36.397 36.802 -0.405 1
1 133 . 7 1 1 A 17 17 ILE N N 17 122.609 123.855 -1.246 1
1 134 . 7 1 1 A 18 18 GLU H H 18 8.917 8.975 -0.058 1
1 135 . 7 1 1 A 18 18 GLU HA H 18 4.230 4.139 0.091 1
1 140 . 7 1 1 A 18 18 GLU CA C 18 57.160 58.979 -1.819 1
1 141 . 7 1 1 A 18 18 GLU CB C 18 30.550 30.286 0.264 1
1 143 . 7 1 1 A 18 18 GLU N N 18 130.894 129.984 0.910 1
1 144 . 7 1 1 A 19 19 GLU H H 19 7.853 7.382 0.471 1
1 145 . 7 1 1 A 19 19 GLU HA H 19 4.470 4.830 -0.360 1
1 150 . 7 1 1 A 19 19 GLU CA C 19 56.110 55.837 0.273 1
1 151 . 7 1 1 A 19 19 GLU CB C 19 33.847 33.164 0.683 1
1 153 . 7 1 1 A 19 19 GLU N N 19 115.069 118.096 -3.027 1
1 154 . 7 1 1 A 20 20 ILE H H 20 8.744 8.950 -0.206 1
1 155 . 7 1 1 A 20 20 ILE HA H 20 4.080 4.545 -0.465 1
1 165 . 7 1 1 A 20 20 ILE CA C 20 60.619 59.884 0.735 1
1 166 . 7 1 1 A 20 20 ILE CB C 20 39.170 40.411 -1.241 1
1 170 . 7 1 1 A 20 20 ILE N N 20 127.309 126.854 0.455 1
1 171 . 7 1 1 A 21 21 ASP H H 21 7.468 8.365 -0.897 1
1 172 . 7 1 1 A 21 21 ASP HA H 21 3.949 4.573 -0.624 1
1 175 . 7 1 1 A 21 21 ASP CA C 21 54.970 53.822 1.148 1
1 176 . 7 1 1 A 21 21 ASP CB C 21 42.170 41.029 1.141 1
1 177 . 7 1 1 A 21 21 ASP N N 21 124.858 126.892 -2.034 1
1 178 . 7 1 1 A 22 22 VAL H H 22 8.650 8.661 -0.011 1
1 179 . 7 1 1 A 22 22 VAL HA H 22 3.998 4.037 -0.039 1
1 187 . 7 1 1 A 22 22 VAL CA C 22 64.445 64.925 -0.480 1
1 188 . 7 1 1 A 22 22 VAL CB C 22 31.244 31.840 -0.596 1
1 191 . 7 1 1 A 22 22 VAL N N 22 130.172 126.989 3.183 1
1 192 . 7 1 1 A 23 23 ASP H H 23 7.482 7.860 -0.378 1
1 193 . 7 1 1 A 23 23 ASP HA H 23 4.711 4.390 0.321 1
1 196 . 7 1 1 A 23 23 ASP CA C 23 53.920 55.848 -1.928 1
1 197 . 7 1 1 A 23 23 ASP CB C 23 40.100 40.946 -0.846 1
1 198 . 7 1 1 A 23 23 ASP N N 23 118.547 120.383 -1.836 1
1 199 . 7 1 1 A 24 24 GLY H H 24 7.220 7.662 -0.442 1
1 200 . 7 1 1 A 24 24 GLY HA2 H 24 2.950 2.457 0.493 1
1 201 . 7 1 1 A 24 24 GLY HA3 H 24 2.407 3.464 -1.057 1
1 202 . 7 1 1 A 24 24 GLY CA C 24 45.040 44.195 0.845 1
1 203 . 7 1 1 A 24 24 GLY N N 24 105.293 107.062 -1.769 1
1 204 . 7 1 1 A 25 25 LYS H H 25 8.757 7.861 0.896 1
1 205 . 7 1 1 A 25 25 LYS HA H 25 3.964 4.132 -0.168 1
1 214 . 7 1 1 A 25 25 LYS CA C 25 56.590 57.591 -1.001 1
1 215 . 7 1 1 A 25 25 LYS CB C 25 33.660 33.200 0.460 1
1 219 . 7 1 1 A 25 25 LYS N N 25 111.753 117.798 -6.045 1
1 220 . 7 1 1 A 26 26 PHE H H 26 6.380 7.483 -1.103 1
1 221 . 7 1 1 A 26 26 PHE HA H 26 5.753 5.466 0.287 1
1 229 . 7 1 1 A 26 26 PHE CA C 26 56.370 55.880 0.490 1
1 230 . 7 1 1 A 26 26 PHE CB C 26 40.030 41.949 -1.919 1
1 236 . 7 1 1 A 26 26 PHE N N 26 110.097 113.759 -3.662 1
1 237 . 7 1 1 A 27 27 ILE H H 27 8.601 9.229 -0.628 1
1 238 . 7 1 1 A 27 27 ILE HA H 27 4.506 4.653 -0.147 1
1 248 . 7 1 1 A 27 27 ILE CA C 27 60.905 60.346 0.559 1
1 249 . 7 1 1 A 27 27 ILE CB C 27 43.249 39.872 3.377 1
1 253 . 7 1 1 A 27 27 ILE N N 27 119.676 120.285 -0.609 1
1 254 . 7 1 1 A 28 28 ARG H H 28 9.290 9.256 0.034 1
1 255 . 7 1 1 A 28 28 ARG HA H 28 5.561 4.949 0.612 1
1 262 . 7 1 1 A 28 28 ARG CA C 28 54.650 55.177 -0.527 1
1 263 . 7 1 1 A 28 28 ARG CB C 28 34.180 31.924 2.256 1
1 266 . 7 1 1 A 28 28 ARG N N 28 127.516 129.611 -2.095 1
1 267 . 7 1 1 A 29 29 LEU H H 29 9.502 9.219 0.283 1
1 268 . 7 1 1 A 29 29 LEU HA H 29 5.306 4.884 0.422 1
1 278 . 7 1 1 A 29 29 LEU CA C 29 54.010 53.551 0.459 1
1 279 . 7 1 1 A 29 29 LEU CB C 29 44.020 43.617 0.403 1
1 283 . 7 1 1 A 29 29 LEU N N 29 126.696 128.464 -1.768 1
1 284 . 7 1 1 A 30 30 LYS H H 30 8.641 8.921 -0.280 1
1 285 . 7 1 1 A 30 30 LYS HA H 30 5.108 4.755 0.353 1
1 294 . 7 1 1 A 30 30 LYS CA C 30 54.660 55.396 -0.736 1
1 295 . 7 1 1 A 30 30 LYS CB C 30 38.070 35.991 2.079 1
1 299 . 7 1 1 A 30 30 LYS N N 30 118.761 121.885 -3.124 1
1 300 . 7 1 1 A 31 31 ASN H H 31 8.397 8.911 -0.514 1
1 301 . 7 1 1 A 31 31 ASN HA H 31 5.319 5.017 0.302 1
1 306 . 7 1 1 A 31 31 ASN CA C 31 50.690 53.144 -2.454 1
1 307 . 7 1 1 A 31 31 ASN CB C 31 37.490 39.289 -1.799 1
1 308 . 7 1 1 A 31 31 ASN N N 31 123.996 124.695 -0.699 1
1 310 . 7 1 1 A 32 32 THR H H 32 8.455 8.654 -0.199 1
1 311 . 7 1 1 A 32 32 THR HA H 32 4.302 4.557 -0.255 1
1 316 . 7 1 1 A 32 32 THR CA C 32 61.492 61.529 -0.037 1
1 317 . 7 1 1 A 32 32 THR CB C 32 68.110 69.237 -1.127 1
1 319 . 7 1 1 A 32 32 THR N N 32 115.755 120.810 -5.055 1
1 320 . 7 1 1 A 33 33 SER H H 33 8.487 8.047 0.440 1
1 321 . 7 1 1 A 33 33 SER HA H 33 4.793 4.412 0.381 1
1 324 . 7 1 1 A 33 33 SER CA C 33 57.500 57.409 0.091 1
1 325 . 7 1 1 A 33 33 SER CB C 33 66.510 65.597 0.913 1
1 326 . 7 1 1 A 33 33 SER N N 33 120.037 116.725 3.312 1
1 327 . 7 1 1 A 34 34 GLU H H 34 8.355 8.815 -0.460 1
1 328 . 7 1 1 A 34 34 GLU HA H 34 4.335 4.288 0.047 1
1 333 . 7 1 1 A 34 34 GLU CA C 34 55.840 57.734 -1.894 1
1 334 . 7 1 1 A 34 34 GLU CB C 34 28.930 30.670 -1.740 1
1 336 . 7 1 1 A 34 34 GLU N N 34 116.545 120.737 -4.192 1
1 337 . 7 1 1 A 35 35 GLN H H 35 8.634 7.594 1.040 1
1 338 . 7 1 1 A 35 35 GLN HA H 35 4.664 4.832 -0.168 1
1 345 . 7 1 1 A 35 35 GLN CA C 35 53.740 53.854 -0.114 1
1 346 . 7 1 1 A 35 35 GLN CB C 35 31.696 32.072 -0.376 1
1 348 . 7 1 1 A 35 35 GLN N N 35 120.013 120.395 -0.382 1
1 350 . 7 1 1 A 36 36 ASP H H 36 8.859 8.645 0.214 1
1 351 . 7 1 1 A 36 36 ASP HA H 36 4.050 4.460 -0.410 1
1 354 . 7 1 1 A 36 36 ASP CA C 36 54.640 54.832 -0.192 1
1 355 . 7 1 1 A 36 36 ASP CB C 36 40.120 41.322 -1.202 1
1 356 . 7 1 1 A 36 36 ASP N N 36 124.552 123.304 1.248 1
1 357 . 7 1 1 A 37 37 GLN H H 37 8.141 8.669 -0.528 1
1 358 . 7 1 1 A 37 37 GLN HA H 37 4.786 4.813 -0.027 1
1 365 . 7 1 1 A 37 37 GLN CA C 37 50.858 52.059 -1.201 1
1 366 . 7 1 1 A 37 37 GLN CB C 37 31.860 29.485 2.375 1
1 368 . 7 1 1 A 37 37 GLN N N 37 120.015 122.190 -2.175 1
1 370 . 7 1 1 A 38 38 PRO HA H 38 4.367 4.595 -0.228 1
1 377 . 7 1 1 A 38 38 PRO CA C 38 63.330 62.730 0.600 1
1 378 . 7 1 1 A 38 38 PRO CB C 38 31.750 31.989 -0.239 1
1 381 . 7 1 1 A 39 39 MET H H 39 8.392 8.869 -0.477 1
1 382 . 7 1 1 A 39 39 MET HA H 39 2.792 3.872 -1.080 1
1 390 . 7 1 1 A 39 39 MET CA C 39 53.780 57.876 -4.096 1
1 391 . 7 1 1 A 39 39 MET CB C 39 34.410 32.614 1.796 1
1 394 . 7 1 1 A 39 39 MET N N 39 124.427 124.166 0.261 1
1 395 . 7 1 1 A 40 40 GLY H H 40 7.940 8.643 -0.703 1
1 396 . 7 1 1 A 40 40 GLY HA2 H 40 4.154 3.971 0.183 1
1 397 . 7 1 1 A 40 40 GLY HA3 H 40 3.763 4.015 -0.252 1
1 398 . 7 1 1 A 40 40 GLY CA C 40 48.114 45.812 2.302 1
1 399 . 7 1 1 A 40 40 GLY N N 40 108.664 107.167 1.497 1
1 400 . 7 1 1 A 41 41 GLY H H 41 7.959 8.297 -0.338 1
1 401 . 7 1 1 A 41 41 GLY HA2 H 41 4.323 4.158 0.165 1
1 402 . 7 1 1 A 41 41 GLY HA3 H 41 3.769 4.164 -0.395 1
1 403 . 7 1 1 A 41 41 GLY CA C 41 46.020 45.573 0.447 1
1 404 . 7 1 1 A 41 41 GLY N N 41 114.027 106.243 7.784 1
1 405 . 7 1 1 A 42 42 TRP H H 42 8.667 7.766 0.901 1
1 406 . 7 1 1 A 42 42 TRP HA H 42 4.408 4.596 -0.188 1
1 415 . 7 1 1 A 42 42 TRP CA C 42 58.925 57.791 1.134 1
1 416 . 7 1 1 A 42 42 TRP CB C 42 28.120 30.565 -2.445 1
1 422 . 7 1 1 A 42 42 TRP N N 42 122.097 121.055 1.042 1
1 424 . 7 1 1 A 43 43 GLU H H 43 8.740 9.170 -0.430 1
1 425 . 7 1 1 A 43 43 GLU HA H 43 5.462 5.077 0.385 1
1 430 . 7 1 1 A 43 43 GLU CA C 43 54.410 54.768 -0.358 1
1 431 . 7 1 1 A 43 43 GLU CB C 43 33.980 33.154 0.826 1
1 433 . 7 1 1 A 43 43 GLU N N 43 120.300 121.315 -1.015 1
1 434 . 7 1 1 A 44 44 MET H H 44 9.658 9.369 0.289 1
1 435 . 7 1 1 A 44 44 MET HA H 44 5.488 5.109 0.379 1
1 443 . 7 1 1 A 44 44 MET CA C 44 53.360 54.665 -1.305 1
1 444 . 7 1 1 A 44 44 MET CB C 44 37.490 33.161 4.329 1
1 447 . 7 1 1 A 44 44 MET N N 44 126.477 127.151 -0.674 1
1 448 . 7 1 1 A 45 45 ILE H H 45 9.658 8.857 0.801 1
1 449 . 7 1 1 A 45 45 ILE HA H 45 4.781 4.427 0.354 1
1 459 . 7 1 1 A 45 45 ILE CA C 45 60.413 61.339 -0.926 1
1 460 . 7 1 1 A 45 45 ILE CB C 45 40.804 36.659 4.145 1
1 464 . 7 1 1 A 45 45 ILE N N 45 127.329 127.879 -0.550 1
1 465 . 7 1 1 A 46 46 ARG H H 46 9.217 9.122 0.095 1
1 466 . 7 1 1 A 46 46 ARG HA H 46 5.083 4.840 0.243 1
1 474 . 7 1 1 A 46 46 ARG CA C 46 53.760 56.050 -2.290 1
1 475 . 7 1 1 A 46 46 ARG CB C 46 33.559 30.996 2.563 1
1 478 . 7 1 1 A 46 46 ARG N N 46 126.837 129.099 -2.262 1
1 480 . 7 1 1 A 47 47 LYS H H 47 9.876 9.068 0.808 1
1 481 . 7 1 1 A 47 47 LYS HA H 47 5.257 4.561 0.696 1
1 490 . 7 1 1 A 47 47 LYS CA C 47 55.260 55.481 -0.221 1
1 491 . 7 1 1 A 47 47 LYS CB C 47 34.860 34.064 0.796 1
1 495 . 7 1 1 A 47 47 LYS N N 47 132.271 127.581 4.690 1
1 496 . 7 1 1 A 48 48 ILE H H 48 7.909 8.721 -0.812 1
1 497 . 7 1 1 A 48 48 ILE HA H 48 4.360 4.295 0.065 1
1 507 . 7 1 1 A 48 48 ILE CA C 48 61.132 62.099 -0.967 1
1 508 . 7 1 1 A 48 48 ILE CB C 48 40.316 41.419 -1.103 1
1 512 . 7 1 1 A 48 48 ILE N N 48 125.793 121.425 4.368 1
1 513 . 7 1 1 A 49 49 GLY H H 49 9.576 7.511 2.065 1
1 514 . 7 1 1 A 49 49 GLY HA2 H 49 4.021 4.094 -0.073 1
1 515 . 7 1 1 A 49 49 GLY HA3 H 49 3.730 4.095 -0.365 1
1 516 . 7 1 1 A 49 49 GLY CA C 49 46.910 46.148 0.762 1
1 517 . 7 1 1 A 49 49 GLY N N 49 120.665 109.960 10.705 1
1 518 . 7 1 1 A 50 50 ASP H H 50 8.935 8.652 0.283 1
1 519 . 7 1 1 A 50 50 ASP HA H 50 4.777 4.663 0.114 1
1 522 . 7 1 1 A 50 50 ASP CA C 50 54.000 54.167 -0.167 1
1 523 . 7 1 1 A 50 50 ASP CB C 50 40.520 40.430 0.090 1
1 524 . 7 1 1 A 50 50 ASP N N 50 126.343 124.836 1.507 1
1 525 . 7 1 1 A 51 51 THR H H 51 8.253 7.542 0.711 1
1 526 . 7 1 1 A 51 51 THR HA H 51 4.638 4.623 0.015 1
1 531 . 7 1 1 A 51 51 THR CA C 51 61.690 60.939 0.751 1
1 532 . 7 1 1 A 51 51 THR CB C 51 71.080 70.290 0.790 1
1 534 . 7 1 1 A 51 51 THR N N 51 115.167 113.344 1.823 1
1 535 . 7 1 1 A 52 52 SER H H 52 8.710 8.626 0.084 1
1 536 . 7 1 1 A 52 52 SER HA H 52 5.318 5.626 -0.308 1
1 539 . 7 1 1 A 52 52 SER CA C 52 57.290 57.440 -0.150 1
1 540 . 7 1 1 A 52 52 SER CB C 52 64.730 66.451 -1.721 1
1 541 . 7 1 1 A 52 52 SER N N 52 121.442 117.810 3.632 1
1 542 . 7 1 1 A 53 53 VAL H H 53 8.448 8.977 -0.529 1
1 543 . 7 1 1 A 53 53 VAL HA H 53 4.650 5.036 -0.386 1
1 551 . 7 1 1 A 53 53 VAL CA C 53 60.449 59.761 0.688 1
1 552 . 7 1 1 A 53 53 VAL CB C 53 35.105 35.511 -0.406 1
1 555 . 7 1 1 A 53 53 VAL N N 53 121.387 120.759 0.628 1
1 556 . 7 1 1 A 54 54 SER H H 54 8.761 9.053 -0.292 1
1 557 . 7 1 1 A 54 54 SER HA H 54 5.760 5.233 0.527 1
1 560 . 7 1 1 A 54 54 SER CA C 54 57.180 58.285 -1.105 1
1 561 . 7 1 1 A 54 54 SER CB C 54 65.910 63.816 2.094 1
1 562 . 7 1 1 A 54 54 SER N N 54 118.025 125.115 -7.090 1
1 563 . 7 1 1 A 55 55 TYR H H 55 9.340 9.187 0.153 1
1 564 . 7 1 1 A 55 55 TYR HA H 55 4.175 5.150 -0.975 1
1 571 . 7 1 1 A 55 55 TYR CA C 55 57.100 56.461 0.639 1
1 572 . 7 1 1 A 55 55 TYR CB C 55 39.870 40.172 -0.302 1
1 577 . 7 1 1 A 55 55 TYR N N 55 128.024 128.125 -0.101 1
1 578 . 7 1 1 A 56 56 LYS H H 56 7.551 8.391 -0.840 1
1 579 . 7 1 1 A 56 56 LYS HA H 56 4.890 4.541 0.349 1
1 588 . 7 1 1 A 56 56 LYS CA C 56 54.117 54.628 -0.511 1
1 589 . 7 1 1 A 56 56 LYS CB C 56 33.610 33.779 -0.169 1
1 593 . 7 1 1 A 56 56 LYS N N 56 127.706 129.158 -1.452 1
1 594 . 7 1 1 A 57 57 TYR H H 57 8.247 8.671 -0.424 1
1 595 . 7 1 1 A 57 57 TYR HA H 57 3.996 4.310 -0.314 1
1 602 . 7 1 1 A 57 57 TYR CA C 57 59.032 59.171 -0.139 1
1 603 . 7 1 1 A 57 57 TYR CB C 57 39.390 38.693 0.697 1
1 608 . 7 1 1 A 57 57 TYR N N 57 124.225 126.681 -2.456 1
1 609 . 7 1 1 A 58 58 THR H H 58 8.722 8.663 0.059 1
1 610 . 7 1 1 A 58 58 THR HA H 58 4.259 4.399 -0.140 1
1 615 . 7 1 1 A 58 58 THR CA C 58 62.250 62.084 0.166 1
1 616 . 7 1 1 A 58 58 THR CB C 58 69.280 69.439 -0.159 1
1 618 . 7 1 1 A 58 58 THR N N 58 116.096 119.148 -3.052 1
1 619 . 7 1 1 A 59 59 SER H H 59 8.402 9.099 -0.697 1
1 620 . 7 1 1 A 59 59 SER HA H 59 4.050 4.199 -0.149 1
1 623 . 7 1 1 A 59 59 SER CA C 59 61.680 59.871 1.809 1
1 624 . 7 1 1 A 59 59 SER CB C 59 63.210 62.627 0.583 1
1 625 . 7 1 1 A 59 59 SER N N 59 114.556 124.413 -9.857 1
1 626 . 7 1 1 A 60 60 ARG H H 60 8.176 8.415 -0.239 1
1 627 . 7 1 1 A 60 60 ARG HA H 60 4.489 4.213 0.276 1
1 634 . 7 1 1 A 60 60 ARG CA C 60 54.960 57.724 -2.764 1
1 635 . 7 1 1 A 60 60 ARG CB C 60 29.846 29.977 -0.131 1
1 638 . 7 1 1 A 60 60 ARG N N 60 118.244 121.021 -2.777 1
1 639 . 7 1 1 A 61 61 TYR H H 61 7.617 7.466 0.151 1
1 640 . 7 1 1 A 61 61 TYR HA H 61 3.897 5.183 -1.286 1
1 647 . 7 1 1 A 61 61 TYR CA C 61 61.930 56.217 5.713 1
1 648 . 7 1 1 A 61 61 TYR CB C 61 38.670 41.195 -2.525 1
1 653 . 7 1 1 A 61 61 TYR N N 61 122.301 116.034 6.267 1
1 654 . 7 1 1 A 62 62 VAL H H 62 7.363 8.898 -1.535 1
1 655 . 7 1 1 A 62 62 VAL HA H 62 3.893 4.318 -0.425 1
1 663 . 7 1 1 A 62 62 VAL CA C 62 60.590 61.492 -0.902 1
1 664 . 7 1 1 A 62 62 VAL CB C 62 35.270 32.819 2.451 1
1 667 . 7 1 1 A 62 62 VAL N N 62 129.952 121.227 8.725 1
1 668 . 7 1 1 A 63 63 LEU H H 63 7.852 8.223 -0.371 1
1 669 . 7 1 1 A 63 63 LEU HA H 63 4.558 4.773 -0.215 1
1 679 . 7 1 1 A 63 63 LEU CA C 63 51.980 54.657 -2.677 1
1 680 . 7 1 1 A 63 63 LEU CB C 63 42.600 42.380 0.220 1
1 684 . 7 1 1 A 63 63 LEU N N 63 128.635 130.223 -1.588 1
1 685 . 7 1 1 A 64 64 LYS H H 64 8.770 8.456 0.314 1
1 686 . 7 1 1 A 64 64 LYS HA H 64 3.722 4.457 -0.735 1
1 695 . 7 1 1 A 64 64 LYS CA C 64 57.360 56.287 1.073 1
1 696 . 7 1 1 A 64 64 LYS CB C 64 32.381 33.419 -1.038 1
1 700 . 7 1 1 A 64 64 LYS N N 64 130.633 127.376 3.257 1
1 701 . 7 1 1 A 65 65 ALA H H 65 8.628 8.397 0.231 1
1 702 . 7 1 1 A 65 65 ALA HA H 65 3.557 3.956 -0.399 1
1 706 . 7 1 1 A 65 65 ALA CA C 65 53.700 53.809 -0.109 1
1 707 . 7 1 1 A 65 65 ALA CB C 65 18.660 18.243 0.417 1
1 708 . 7 1 1 A 65 65 ALA N N 65 123.214 125.113 -1.899 1
1 709 . 7 1 1 A 66 66 GLY H H 66 7.505 8.610 -1.105 1
1 710 . 7 1 1 A 66 66 GLY HA2 H 66 4.020 3.766 0.254 1
1 711 . 7 1 1 A 66 66 GLY HA3 H 66 4.020 3.768 0.252 1
1 712 . 7 1 1 A 66 66 GLY CA C 66 46.864 45.879 0.985 1
1 713 . 7 1 1 A 66 66 GLY N N 66 112.913 110.097 2.816 1
1 714 . 7 1 1 A 67 67 GLN H H 67 8.136 7.543 0.593 1
1 715 . 7 1 1 A 67 67 GLN HA H 67 4.436 4.566 -0.130 1
1 722 . 7 1 1 A 67 67 GLN CA C 67 55.029 55.073 -0.044 1
1 723 . 7 1 1 A 67 67 GLN CB C 67 29.700 30.387 -0.687 1
1 725 . 7 1 1 A 67 67 GLN N N 67 118.759 121.266 -2.507 1
1 727 . 7 1 1 A 68 68 THR H H 68 8.066 8.944 -0.878 1
1 728 . 7 1 1 A 68 68 THR HA H 68 5.414 5.433 -0.019 1
1 733 . 7 1 1 A 68 68 THR CA C 68 60.050 59.542 0.508 1
1 734 . 7 1 1 A 68 68 THR CB C 68 72.052 71.772 0.280 1
1 736 . 7 1 1 A 68 68 THR N N 68 111.842 114.071 -2.229 1
1 737 . 7 1 1 A 69 69 VAL H H 69 8.780 8.637 0.143 1
1 738 . 7 1 1 A 69 69 VAL HA H 69 4.989 4.775 0.214 1
1 746 . 7 1 1 A 69 69 VAL CA C 69 59.265 60.299 -1.034 1
1 747 . 7 1 1 A 69 69 VAL CB C 69 33.600 35.694 -2.094 1
1 750 . 7 1 1 A 69 69 VAL N N 69 120.958 121.353 -0.395 1
1 751 . 7 1 1 A 70 70 THR H H 70 8.660 8.820 -0.160 1
1 752 . 7 1 1 A 70 70 THR HA H 70 4.618 5.008 -0.390 1
1 757 . 7 1 1 A 70 70 THR CA C 70 61.730 61.876 -0.146 1
1 758 . 7 1 1 A 70 70 THR CB C 70 69.550 70.431 -0.881 1
1 760 . 7 1 1 A 70 70 THR N N 70 125.533 123.361 2.172 1
1 761 . 7 1 1 A 71 71 ILE H H 71 8.994 9.489 -0.495 1
1 762 . 7 1 1 A 71 71 ILE HA H 71 4.369 4.874 -0.505 1
1 772 . 7 1 1 A 71 71 ILE CA C 71 59.162 60.262 -1.100 1
1 773 . 7 1 1 A 71 71 ILE CB C 71 36.826 38.349 -1.523 1
1 777 . 7 1 1 A 71 71 ILE N N 71 127.838 128.066 -0.228 1
1 778 . 7 1 1 A 72 72 TRP H H 72 9.270 9.565 -0.295 1
1 779 . 7 1 1 A 72 72 TRP HA H 72 5.167 5.278 -0.111 1
1 788 . 7 1 1 A 72 72 TRP CA C 72 56.180 56.995 -0.815 1
1 789 . 7 1 1 A 72 72 TRP CB C 72 31.490 30.853 0.637 1
1 795 . 7 1 1 A 72 72 TRP N N 72 127.112 129.253 -2.141 1
1 797 . 7 1 1 A 73 73 ALA H H 73 9.010 8.679 0.331 1
1 798 . 7 1 1 A 73 73 ALA HA H 73 4.617 4.593 0.024 1
1 802 . 7 1 1 A 73 73 ALA CA C 73 52.110 51.011 1.099 1
1 803 . 7 1 1 A 73 73 ALA CB C 73 19.070 17.541 1.529 1
1 804 . 7 1 1 A 73 73 ALA N N 73 122.140 128.269 -6.129 1
1 805 . 7 1 1 A 74 74 ALA H H 74 9.002 8.826 0.176 1
1 806 . 7 1 1 A 74 74 ALA HA H 74 4.042 3.897 0.145 1
1 810 . 7 1 1 A 74 74 ALA CA C 74 54.650 55.005 -0.355 1
1 811 . 7 1 1 A 74 74 ALA CB C 74 18.070 17.812 0.258 1
1 812 . 7 1 1 A 74 74 ALA N N 74 123.213 124.205 -0.992 1
1 813 . 7 1 1 A 75 75 ASN H H 75 8.162 8.847 -0.685 1
1 814 . 7 1 1 A 75 75 ASN HA H 75 5.015 4.765 0.250 1
1 819 . 7 1 1 A 75 75 ASN CA C 75 51.650 53.346 -1.696 1
1 820 . 7 1 1 A 75 75 ASN CB C 75 36.590 38.094 -1.504 1
1 821 . 7 1 1 A 75 75 ASN N N 75 112.259 116.474 -4.215 1
1 823 . 7 1 1 A 76 76 ALA H H 76 7.605 7.878 -0.273 1
1 824 . 7 1 1 A 76 76 ALA HA H 76 4.281 4.292 -0.011 1
1 828 . 7 1 1 A 76 76 ALA CA C 76 53.203 53.286 -0.083 1
1 829 . 7 1 1 A 76 76 ALA CB C 76 20.210 19.410 0.800 1
1 830 . 7 1 1 A 76 76 ALA N N 76 120.777 121.575 -0.798 1
1 831 . 7 1 1 A 77 77 GLY H H 77 8.449 8.227 0.222 1
1 832 . 7 1 1 A 77 77 GLY HA2 H 77 3.960 3.867 0.093 1
1 833 . 7 1 1 A 77 77 GLY HA3 H 77 3.537 3.878 -0.341 1
1 834 . 7 1 1 A 77 77 GLY CA C 77 45.410 46.370 -0.960 1
1 835 . 7 1 1 A 77 77 GLY N N 77 107.064 106.679 0.385 1
1 836 . 7 1 1 A 78 78 VAL H H 78 7.286 7.626 -0.340 1
1 837 . 7 1 1 A 78 78 VAL HA H 78 3.804 4.363 -0.559 1
1 845 . 7 1 1 A 78 78 VAL CA C 78 60.736 59.996 0.740 1
1 846 . 7 1 1 A 78 78 VAL CB C 78 33.590 33.638 -0.048 1
1 849 . 7 1 1 A 78 78 VAL N N 78 120.566 116.588 3.978 1
1 850 . 7 1 1 A 79 79 THR H H 79 8.148 8.273 -0.125 1
1 851 . 7 1 1 A 79 79 THR HA H 79 4.145 4.076 0.069 1
1 856 . 7 1 1 A 79 79 THR CA C 79 61.395 62.934 -1.539 1
1 857 . 7 1 1 A 79 79 THR CB C 79 69.620 67.713 1.907 1
1 859 . 7 1 1 A 79 79 THR N N 79 121.617 119.025 2.592 1
1 860 . 7 1 1 A 80 80 ALA H H 80 8.593 8.330 0.263 1
1 861 . 7 1 1 A 80 80 ALA HA H 80 3.703 3.889 -0.186 1
1 865 . 7 1 1 A 80 80 ALA CA C 80 53.410 54.507 -1.097 1
1 866 . 7 1 1 A 80 80 ALA CB C 80 19.180 18.135 1.045 1
1 867 . 7 1 1 A 80 80 ALA N N 80 126.311 126.220 0.091 1
1 868 . 7 1 1 A 81 81 SER H H 81 9.101 7.884 1.217 1
1 869 . 7 1 1 A 81 81 SER HA H 81 4.747 4.723 0.024 1
1 872 . 7 1 1 A 81 81 SER CA C 81 55.046 55.782 -0.736 1
1 873 . 7 1 1 A 81 81 SER CB C 81 62.680 64.925 -2.245 1
1 874 . 7 1 1 A 81 81 SER N N 81 114.816 111.707 3.109 1
1 875 . 7 1 1 A 82 82 PRO HA H 82 4.328 4.485 -0.157 1
1 882 . 7 1 1 A 82 82 PRO CA C 82 62.158 62.621 -0.463 1
1 883 . 7 1 1 A 82 82 PRO CB C 82 30.480 32.393 -1.913 1
1 886 . 7 1 1 A 83 83 PRO HA H 83 4.821 3.949 0.872 1
1 893 . 7 1 1 A 83 83 PRO CA C 83 64.384 63.788 0.596 1
1 894 . 7 1 1 A 83 83 PRO CB C 83 34.750 30.154 4.596 1
1 897 . 7 1 1 A 84 84 THR H H 84 8.007 7.929 0.078 1
1 898 . 7 1 1 A 84 84 THR HA H 84 4.567 4.266 0.301 1
1 903 . 7 1 1 A 84 84 THR CA C 84 64.770 63.199 1.571 1
1 904 . 7 1 1 A 84 84 THR CB C 84 69.370 70.499 -1.129 1
1 906 . 7 1 1 A 84 84 THR N N 84 114.629 114.069 0.560 1
1 907 . 7 1 1 A 85 85 ASP H H 85 7.952 8.113 -0.161 1
1 908 . 7 1 1 A 85 85 ASP HA H 85 5.950 5.002 0.948 1
1 911 . 7 1 1 A 85 85 ASP CA C 85 54.110 53.798 0.312 1
1 912 . 7 1 1 A 85 85 ASP CB C 85 43.510 42.927 0.583 1
1 913 . 7 1 1 A 85 85 ASP N N 85 124.539 122.473 2.066 1
1 914 . 7 1 1 A 86 86 LEU H H 86 9.271 9.024 0.247 1
1 915 . 7 1 1 A 86 86 LEU HA H 86 4.953 5.104 -0.151 1
1 925 . 7 1 1 A 86 86 LEU CA C 86 52.230 53.653 -1.423 1
1 926 . 7 1 1 A 86 86 LEU CB C 86 44.070 45.799 -1.729 1
1 930 . 7 1 1 A 86 86 LEU N N 86 124.265 119.777 4.488 1
1 931 . 7 1 1 A 87 87 ILE H H 87 8.691 8.920 -0.229 1
1 932 . 7 1 1 A 87 87 ILE HA H 87 4.802 4.702 0.100 1
1 942 . 7 1 1 A 87 87 ILE CA C 87 58.694 60.787 -2.093 1
1 943 . 7 1 1 A 87 87 ILE CB C 87 37.945 38.068 -0.123 1
1 947 . 7 1 1 A 87 87 ILE N N 87 119.475 124.264 -4.789 1
1 948 . 7 1 1 A 88 88 TRP H H 88 9.755 9.314 0.441 1
1 949 . 7 1 1 A 88 88 TRP HA H 88 4.918 4.698 0.220 1
1 958 . 7 1 1 A 88 88 TRP CA C 88 54.900 56.112 -1.212 1
1 959 . 7 1 1 A 88 88 TRP CB C 88 27.270 29.140 -1.870 1
1 965 . 7 1 1 A 88 88 TRP N N 88 132.610 129.936 2.674 1
1 967 . 7 1 1 A 89 89 LYS H H 89 8.282 8.944 -0.662 1
1 968 . 7 1 1 A 89 89 LYS HA H 89 3.996 4.170 -0.174 1
1 977 . 7 1 1 A 89 89 LYS CA C 89 58.847 58.837 0.010 1
1 978 . 7 1 1 A 89 89 LYS CB C 89 32.360 32.401 -0.041 1
1 982 . 7 1 1 A 89 89 LYS N N 89 125.513 127.750 -2.237 1
1 983 . 7 1 1 A 90 90 ASN H H 90 8.810 8.248 0.562 1
1 984 . 7 1 1 A 90 90 ASN HA H 90 4.434 4.677 -0.243 1
1 989 . 7 1 1 A 90 90 ASN CA C 90 54.010 54.796 -0.786 1
1 990 . 7 1 1 A 90 90 ASN CB C 90 37.770 38.804 -1.034 1
1 991 . 7 1 1 A 90 90 ASN N N 90 114.946 116.269 -1.323 1
1 993 . 7 1 1 A 91 91 GLN H H 91 7.546 7.115 0.431 1
1 994 . 7 1 1 A 91 91 GLN HA H 91 4.412 4.630 -0.218 1
1 1001 . 7 1 1 A 91 91 GLN CA C 91 53.520 54.580 -1.060 1
1 1002 . 7 1 1 A 91 91 GLN CB C 91 28.470 31.223 -2.753 1
1 1004 . 7 1 1 A 91 91 GLN N N 91 117.746 118.247 -0.501 1
1 1006 . 7 1 1 A 92 92 ASN H H 92 8.451 8.436 0.015 1
1 1007 . 7 1 1 A 92 92 ASN HA H 92 4.876 4.949 -0.073 1
1 1012 . 7 1 1 A 92 92 ASN CA C 92 52.080 52.294 -0.214 1
1 1013 . 7 1 1 A 92 92 ASN CB C 92 39.400 39.945 -0.545 1
1 1014 . 7 1 1 A 92 92 ASN N N 92 123.697 124.399 -0.702 1
1 1016 . 7 1 1 A 93 93 SER H H 93 9.337 8.421 0.916 1
1 1017 . 7 1 1 A 93 93 SER HA H 93 3.977 4.320 -0.343 1
1 1020 . 7 1 1 A 93 93 SER CA C 93 58.940 58.505 0.435 1
1 1021 . 7 1 1 A 93 93 SER CB C 93 62.940 63.152 -0.212 1
1 1022 . 7 1 1 A 93 93 SER N N 93 117.010 113.735 3.275 1
1 1023 . 7 1 1 A 94 94 TRP H H 94 7.857 8.047 -0.190 1
1 1024 . 7 1 1 A 94 94 TRP HA H 94 4.905 4.395 0.510 1
1 1033 . 7 1 1 A 94 94 TRP CA C 94 56.770 59.495 -2.725 1
1 1034 . 7 1 1 A 94 94 TRP CB C 94 27.900 30.482 -2.582 1
1 1039 . 7 1 1 A 94 94 TRP N N 94 120.449 123.476 -3.027 1
1 1041 . 7 1 1 A 95 95 GLY H H 95 7.795 7.936 -0.141 1
1 1042 . 7 1 1 A 95 95 GLY HA2 H 95 3.953 3.809 0.144 1
1 1043 . 7 1 1 A 95 95 GLY HA3 H 95 3.763 3.853 -0.090 1
1 1044 . 7 1 1 A 95 95 GLY CA C 95 45.487 46.945 -1.458 1
1 1045 . 7 1 1 A 95 95 GLY N N 95 109.481 110.260 -0.779 1
1 1046 . 7 1 1 A 96 96 THR H H 96 8.028 8.062 -0.034 1
1 1047 . 7 1 1 A 96 96 THR HA H 96 4.696 4.678 0.018 1
1 1052 . 7 1 1 A 96 96 THR CA C 96 60.880 63.369 -2.489 1
1 1053 . 7 1 1 A 96 96 THR CB C 96 70.040 70.503 -0.463 1
1 1055 . 7 1 1 A 96 96 THR N N 96 112.538 112.494 0.044 1
1 1056 . 7 1 1 A 97 97 GLY H H 97 8.443 8.535 -0.092 1
1 1057 . 7 1 1 A 97 97 GLY HA2 H 97 3.482 3.928 -0.446 1
1 1058 . 7 1 1 A 97 97 GLY HA3 H 97 3.862 4.009 -0.147 1
1 1059 . 7 1 1 A 97 97 GLY CA C 97 45.945 45.827 0.118 1
1 1060 . 7 1 1 A 97 97 GLY N N 97 111.464 109.542 1.922 1
1 1061 . 7 1 1 A 98 98 GLU H H 98 8.010 7.824 0.186 1
1 1062 . 7 1 1 A 98 98 GLU HA H 98 4.471 4.806 -0.335 1
1 1067 . 7 1 1 A 98 98 GLU CA C 98 54.730 55.151 -0.421 1
1 1068 . 7 1 1 A 98 98 GLU CB C 98 30.719 27.766 2.953 1
1 1070 . 7 1 1 A 98 98 GLU N N 98 118.563 120.549 -1.986 1
1 1071 . 7 1 1 A 99 99 ASP H H 99 8.680 8.740 -0.060 1
1 1072 . 7 1 1 A 99 99 ASP HA H 99 4.612 4.268 0.344 1
1 1075 . 7 1 1 A 99 99 ASP CA C 99 54.451 55.278 -0.827 1
1 1076 . 7 1 1 A 99 99 ASP CB C 99 39.540 40.171 -0.631 1
1 1077 . 7 1 1 A 99 99 ASP N N 99 122.219 120.186 2.033 1
1 1078 . 7 1 1 A 100 100 VAL H H 100 8.215 7.757 0.458 1
1 1079 . 7 1 1 A 100 100 VAL HA H 100 4.495 3.873 0.622 1
1 1087 . 7 1 1 A 100 100 VAL CA C 100 60.920 62.582 -1.662 1
1 1088 . 7 1 1 A 100 100 VAL CB C 100 34.150 32.052 2.098 1
1 1091 . 7 1 1 A 100 100 VAL N N 100 123.901 119.624 4.277 1
1 1092 . 7 1 1 A 101 101 LYS H H 101 8.600 8.927 -0.327 1
1 1093 . 7 1 1 A 101 101 LYS HA H 101 5.112 5.086 0.026 1
1 1102 . 7 1 1 A 101 101 LYS CA C 101 54.718 54.583 0.135 1
1 1103 . 7 1 1 A 101 101 LYS CB C 101 35.326 35.123 0.203 1
1 1107 . 7 1 1 A 101 101 LYS N N 101 126.635 130.157 -3.522 1
1 1108 . 7 1 1 A 102 102 VAL H H 102 9.209 9.152 0.057 1
1 1109 . 7 1 1 A 102 102 VAL HA H 102 5.405 4.365 1.040 1
1 1117 . 7 1 1 A 102 102 VAL CA C 102 59.950 62.536 -2.586 1
1 1118 . 7 1 1 A 102 102 VAL CB C 102 34.420 32.084 2.336 1
1 1121 . 7 1 1 A 102 102 VAL N N 102 125.573 127.260 -1.687 1
1 1122 . 7 1 1 A 103 103 ILE H H 103 8.968 8.837 0.131 1
1 1123 . 7 1 1 A 103 103 ILE HA H 103 4.671 4.815 -0.144 1
1 1133 . 7 1 1 A 103 103 ILE CA C 103 59.790 60.406 -0.616 1
1 1134 . 7 1 1 A 103 103 ILE CB C 103 42.522 38.752 3.770 1
1 1138 . 7 1 1 A 103 103 ILE N N 103 125.593 129.151 -3.558 1
1 1139 . 7 1 1 A 104 104 LEU H H 104 9.017 9.240 -0.223 1
1 1140 . 7 1 1 A 104 104 LEU HA H 104 5.361 5.014 0.347 1
1 1150 . 7 1 1 A 104 104 LEU CA C 104 52.800 54.319 -1.519 1
1 1151 . 7 1 1 A 104 104 LEU CB C 104 46.200 41.740 4.460 1
1 1155 . 7 1 1 A 104 104 LEU N N 104 127.791 128.822 -1.031 1
1 1156 . 7 1 1 A 105 105 LYS H H 105 9.674 8.570 1.104 1
1 1157 . 7 1 1 A 105 105 LYS HA H 105 5.194 4.853 0.341 1
1 1166 . 7 1 1 A 105 105 LYS CA C 105 53.780 53.912 -0.132 1
1 1167 . 7 1 1 A 105 105 LYS CB C 105 36.330 35.085 1.245 1
1 1171 . 7 1 1 A 105 105 LYS N N 105 126.536 123.961 2.575 1
1 1172 . 7 1 1 A 106 106 ASN H H 106 7.774 8.892 -1.118 1
1 1173 . 7 1 1 A 106 106 ASN HA H 106 2.714 4.640 -1.926 1
1 1178 . 7 1 1 A 106 106 ASN CA C 106 49.530 51.637 -2.107 1
1 1179 . 7 1 1 A 106 106 ASN CB C 106 36.940 39.745 -2.805 1
1 1180 . 7 1 1 A 106 106 ASN N N 106 116.550 120.913 -4.363 1
1 1182 . 7 1 1 A 107 107 SER H H 107 6.988 8.735 -1.747 1
1 1183 . 7 1 1 A 107 107 SER HA H 107 4.092 4.135 -0.043 1
1 1186 . 7 1 1 A 107 107 SER CA C 107 60.490 61.462 -0.972 1
1 1187 . 7 1 1 A 107 107 SER CB C 107 62.510 62.900 -0.390 1
1 1188 . 7 1 1 A 107 107 SER N N 107 112.400 117.315 -4.915 1
1 1189 . 7 1 1 A 108 108 GLN H H 108 7.414 7.683 -0.269 1
1 1190 . 7 1 1 A 108 108 GLN HA H 108 4.404 4.182 0.222 1
1 1197 . 7 1 1 A 108 108 GLN CA C 108 55.470 57.469 -1.999 1
1 1198 . 7 1 1 A 108 108 GLN CB C 108 28.400 29.850 -1.450 1
1 1200 . 7 1 1 A 108 108 GLN N N 108 119.000 118.357 0.643 1
1 1202 . 7 1 1 A 109 109 GLY H H 109 7.835 7.350 0.485 1
1 1203 . 7 1 1 A 109 109 GLY HA2 H 109 4.136 4.032 0.104 1
1 1204 . 7 1 1 A 109 109 GLY HA3 H 109 3.530 4.037 -0.507 1
1 1205 . 7 1 1 A 109 109 GLY CA C 109 45.549 45.281 0.268 1
1 1206 . 7 1 1 A 109 109 GLY N N 109 107.333 104.538 2.795 1
1 1207 . 7 1 1 A 110 110 GLU H H 110 7.562 7.804 -0.242 1
1 1208 . 7 1 1 A 110 110 GLU HA H 110 4.209 4.588 -0.379 1
1 1213 . 7 1 1 A 110 110 GLU CA C 110 54.320 55.540 -1.220 1
1 1214 . 7 1 1 A 110 110 GLU CB C 110 29.760 31.357 -1.597 1
1 1216 . 7 1 1 A 110 110 GLU N N 110 120.137 118.745 1.392 1
1 1217 . 7 1 1 A 111 111 GLU H H 111 8.799 8.645 0.154 1
1 1218 . 7 1 1 A 111 111 GLU HA H 111 4.194 4.669 -0.475 1
1 1223 . 7 1 1 A 111 111 GLU CA C 111 57.160 55.315 1.845 1
1 1224 . 7 1 1 A 111 111 GLU CB C 111 29.175 31.488 -2.313 1
1 1226 . 7 1 1 A 111 111 GLU N N 111 123.867 124.267 -0.400 1
1 1227 . 7 1 1 A 112 112 VAL H H 112 9.093 8.909 0.184 1
1 1228 . 7 1 1 A 112 112 VAL HA H 112 4.330 3.934 0.396 1
1 1236 . 7 1 1 A 112 112 VAL CA C 112 61.529 63.970 -2.441 1
1 1237 . 7 1 1 A 112 112 VAL CB C 112 33.230 32.185 1.045 1
1 1240 . 7 1 1 A 112 112 VAL N N 112 122.642 127.571 -4.929 1
1 1241 . 7 1 1 A 113 113 ALA H H 113 7.793 7.406 0.387 1
1 1242 . 7 1 1 A 113 113 ALA HA H 113 4.770 4.562 0.208 1
1 1246 . 7 1 1 A 113 113 ALA CA C 113 52.449 51.606 0.843 1
1 1247 . 7 1 1 A 113 113 ALA CB C 113 22.400 22.521 -0.121 1
1 1248 . 7 1 1 A 113 113 ALA N N 113 121.070 118.122 2.948 1
1 1249 . 7 1 1 A 114 114 GLN H H 114 8.450 8.925 -0.475 1
1 1250 . 7 1 1 A 114 114 GLN HA H 114 5.404 5.416 -0.012 1
1 1257 . 7 1 1 A 114 114 GLN CA C 114 54.830 53.852 0.978 1
1 1258 . 7 1 1 A 114 114 GLN CB C 114 32.307 32.897 -0.590 1
1 1260 . 7 1 1 A 114 114 GLN N N 114 115.851 115.929 -0.078 1
1 1262 . 7 1 1 A 115 115 ARG H H 115 8.989 8.854 0.135 1
1 1263 . 7 1 1 A 115 115 ARG HA H 115 4.555 4.965 -0.410 1
1 1270 . 7 1 1 A 115 115 ARG CA C 115 56.350 55.324 1.026 1
1 1271 . 7 1 1 A 115 115 ARG CB C 115 33.730 34.376 -0.646 1
1 1274 . 7 1 1 A 115 115 ARG N N 115 122.920 120.868 2.052 1
1 1275 . 7 1 1 A 116 116 SER H H 116 8.511 8.440 0.071 1
1 1276 . 7 1 1 A 116 116 SER HA H 116 5.756 5.042 0.714 1
1 1279 . 7 1 1 A 116 116 SER CA C 116 56.400 57.163 -0.763 1
1 1280 . 7 1 1 A 116 116 SER CB C 116 65.770 65.949 -0.179 1
1 1281 . 7 1 1 A 116 116 SER N N 116 119.807 116.630 3.177 1
1 1282 . 7 1 1 A 117 117 THR H H 117 8.801 7.890 0.911 1
1 1283 . 7 1 1 A 117 117 THR HA H 117 4.378 4.151 0.227 1
1 1288 . 7 1 1 A 117 117 THR CA C 117 62.160 62.027 0.133 1
1 1289 . 7 1 1 A 117 117 THR CB C 117 70.010 68.617 1.393 1
1 1291 . 7 1 1 A 117 117 THR N N 117 116.435 114.255 2.180 1
1 1292 . 7 1 1 A 118 118 VAL H H 118 8.165 8.214 -0.049 1
1 1293 . 7 1 1 A 118 118 VAL HA H 118 4.227 4.031 0.196 1
1 1301 . 7 1 1 A 118 118 VAL CA C 118 61.320 62.284 -0.964 1
1 1302 . 7 1 1 A 118 118 VAL CB C 118 32.931 32.719 0.212 1
1 1305 . 7 1 1 A 118 118 VAL N N 118 122.111 126.975 -4.864 1
1 1306 . 7 1 1 A 119 119 PHE H H 119 8.580 8.874 -0.294 1
1 1307 . 7 1 1 A 119 119 PHE HA H 119 4.655 4.704 -0.049 1
1 1314 . 7 1 1 A 119 119 PHE CA C 119 57.520 57.053 0.467 1
1 1315 . 7 1 1 A 119 119 PHE CB C 119 39.550 37.474 2.076 1
1 1320 . 7 1 1 A 119 119 PHE N N 119 126.006 128.538 -2.532 1
1 1321 . 7 1 1 A 120 120 LYS H H 120 8.346 8.049 0.297 1
1 1322 . 7 1 1 A 120 120 LYS HA H 120 4.432 4.427 0.005 1
1 1331 . 7 1 1 A 120 120 LYS CA C 120 55.740 58.113 -2.373 1
1 1332 . 7 1 1 A 120 120 LYS CB C 120 33.290 32.838 0.452 1
1 1336 . 7 1 1 A 120 120 LYS N N 120 124.095 121.043 3.052 1
1 1337 . 7 1 1 A 121 121 THR H H 121 8.294 8.099 0.195 1
1 1338 . 7 1 1 A 121 121 THR HA H 121 4.394 4.072 0.322 1
1 1343 . 7 1 1 A 121 121 THR CA C 121 61.610 62.378 -0.768 1
1 1344 . 7 1 1 A 121 121 THR CB C 121 69.640 67.500 2.140 1
1 1346 . 7 1 1 A 121 121 THR N N 121 116.359 110.830 5.529 1
1 1 . 8 1 1 A 3 3 HIS H H 3 8.528 8.156 0.372 1
1 2 . 8 1 1 A 3 3 HIS HA H 3 4.626 5.424 -0.798 1
1 5 . 8 1 1 A 3 3 HIS CA C 3 55.260 54.408 0.852 1
1 6 . 8 1 1 A 3 3 HIS CB C 3 29.250 34.382 -5.132 1
1 7 . 8 1 1 A 3 3 HIS N N 3 118.990 117.698 1.292 1
1 8 . 8 1 1 A 4 4 HIS H H 4 8.528 8.685 -0.157 1
1 9 . 8 1 1 A 4 4 HIS HA H 4 4.624 5.126 -0.502 1
1 12 . 8 1 1 A 4 4 HIS CA C 4 55.277 54.604 0.673 1
1 13 . 8 1 1 A 4 4 HIS CB C 4 29.002 31.685 -2.683 1
1 14 . 8 1 1 A 4 4 HIS N N 4 118.990 117.784 1.206 1
1 15 . 8 1 1 A 5 5 HIS H H 5 8.579 9.032 -0.453 1
1 16 . 8 1 1 A 5 5 HIS HA H 5 4.737 4.963 -0.226 1
1 19 . 8 1 1 A 5 5 HIS CA C 5 55.330 54.857 0.473 1
1 20 . 8 1 1 A 5 5 HIS CB C 5 29.257 33.655 -4.398 1
1 21 . 8 1 1 A 5 5 HIS N N 5 119.720 121.822 -2.102 1
1 22 . 8 1 1 A 6 6 HIS H H 6 8.603 9.220 -0.617 1
1 23 . 8 1 1 A 6 6 HIS HA H 6 4.674 4.886 -0.212 1
1 26 . 8 1 1 A 6 6 HIS CA C 6 55.150 55.092 0.058 1
1 27 . 8 1 1 A 6 6 HIS CB C 6 27.340 31.102 -3.762 1
1 28 . 8 1 1 A 6 6 HIS N N 6 121.420 123.856 -2.436 1
1 29 . 8 1 1 A 7 7 HIS H H 7 8.706 8.236 0.470 1
1 30 . 8 1 1 A 7 7 HIS HA H 7 4.658 5.309 -0.651 1
1 33 . 8 1 1 A 7 7 HIS CA C 7 55.100 53.797 1.303 1
1 34 . 8 1 1 A 7 7 HIS CB C 7 29.300 32.580 -3.280 1
1 35 . 8 1 1 A 7 7 HIS N N 7 121.200 121.572 -0.372 1
1 36 . 8 1 1 A 8 8 HIS H H 8 8.706 8.854 -0.148 1
1 37 . 8 1 1 A 8 8 HIS HA H 8 4.706 5.205 -0.499 1
1 40 . 8 1 1 A 8 8 HIS CA C 8 55.156 53.945 1.211 1
1 41 . 8 1 1 A 8 8 HIS CB C 8 29.396 32.751 -3.355 1
1 42 . 8 1 1 A 8 8 HIS N N 8 121.200 124.523 -3.323 1
1 43 . 8 1 1 A 9 9 SER H H 9 8.551 8.522 0.029 1
1 44 . 8 1 1 A 9 9 SER HA H 9 4.450 4.847 -0.397 1
1 47 . 8 1 1 A 9 9 SER CA C 9 58.200 57.243 0.957 1
1 48 . 8 1 1 A 9 9 SER CB C 9 63.740 67.180 -3.440 1
1 49 . 8 1 1 A 9 9 SER N N 9 118.046 123.474 -5.428 1
1 50 . 8 1 1 A 10 10 HIS H H 10 8.770 8.623 0.147 1
1 51 . 8 1 1 A 10 10 HIS HA H 10 4.726 4.590 0.136 1
1 54 . 8 1 1 A 10 10 HIS CA C 10 55.640 57.183 -1.543 1
1 55 . 8 1 1 A 10 10 HIS CB C 10 29.172 30.330 -1.158 1
1 56 . 8 1 1 A 10 10 HIS N N 10 120.412 119.863 0.549 1
1 57 . 8 1 1 A 11 11 MET H H 11 8.528 7.703 0.825 1
1 58 . 8 1 1 A 11 11 MET HA H 11 4.658 4.424 0.234 1
1 66 . 8 1 1 A 11 11 MET CA C 11 55.438 54.670 0.768 1
1 67 . 8 1 1 A 11 11 MET CB C 11 33.090 32.639 0.451 1
1 70 . 8 1 1 A 11 11 MET N N 11 122.400 118.900 3.500 1
1 71 . 8 1 1 A 12 12 THR H H 12 8.339 8.764 -0.425 1
1 72 . 8 1 1 A 12 12 THR HA H 12 4.450 4.423 0.027 1
1 77 . 8 1 1 A 12 12 THR CA C 12 61.810 63.236 -1.426 1
1 78 . 8 1 1 A 12 12 THR CB C 12 70.450 69.217 1.233 1
1 80 . 8 1 1 A 12 12 THR N N 12 115.700 116.186 -0.486 1
1 81 . 8 1 1 A 13 13 GLY H H 13 8.426 8.014 0.412 1
1 82 . 8 1 1 A 13 13 GLY HA2 H 13 4.287 4.045 0.242 1
1 83 . 8 1 1 A 13 13 GLY HA3 H 13 3.877 4.071 -0.194 1
1 84 . 8 1 1 A 13 13 GLY CA C 13 45.243 44.794 0.449 1
1 85 . 8 1 1 A 13 13 GLY N N 13 110.872 110.086 0.786 1
1 86 . 8 1 1 A 14 14 ASN H H 14 8.374 8.730 -0.356 1
1 87 . 8 1 1 A 14 14 ASN HA H 14 4.720 5.094 -0.374 1
1 92 . 8 1 1 A 14 14 ASN CA C 14 54.200 53.023 1.177 1
1 93 . 8 1 1 A 14 14 ASN CB C 14 39.210 38.915 0.295 1
1 94 . 8 1 1 A 14 14 ASN N N 14 117.789 121.972 -4.183 1
1 96 . 8 1 1 A 15 15 VAL H H 15 7.890 8.871 -0.981 1
1 97 . 8 1 1 A 15 15 VAL HA H 15 4.843 4.748 0.095 1
1 105 . 8 1 1 A 15 15 VAL CA C 15 61.759 61.392 0.367 1
1 106 . 8 1 1 A 15 15 VAL CB C 15 33.230 32.802 0.428 1
1 109 . 8 1 1 A 15 15 VAL N N 15 118.720 126.308 -7.588 1
1 110 . 8 1 1 A 16 16 CYS H H 16 9.060 8.912 0.148 1
1 111 . 8 1 1 A 16 16 CYS HA H 16 4.899 5.351 -0.452 1
1 114 . 8 1 1 A 16 16 CYS CA C 16 54.620 57.566 -2.946 1
1 115 . 8 1 1 A 16 16 CYS CB C 16 30.900 32.259 -1.359 1
1 116 . 8 1 1 A 16 16 CYS N N 16 122.674 126.115 -3.441 1
1 117 . 8 1 1 A 17 17 ILE H H 17 8.845 8.902 -0.057 1
1 118 . 8 1 1 A 17 17 ILE HA H 17 4.153 4.238 -0.085 1
1 128 . 8 1 1 A 17 17 ILE CA C 17 61.080 61.031 0.049 1
1 129 . 8 1 1 A 17 17 ILE CB C 17 36.397 37.910 -1.513 1
1 133 . 8 1 1 A 17 17 ILE N N 17 122.609 125.317 -2.708 1
1 134 . 8 1 1 A 18 18 GLU H H 18 8.917 9.068 -0.151 1
1 135 . 8 1 1 A 18 18 GLU HA H 18 4.230 4.420 -0.190 1
1 140 . 8 1 1 A 18 18 GLU CA C 18 57.160 57.525 -0.365 1
1 141 . 8 1 1 A 18 18 GLU CB C 18 30.550 31.723 -1.173 1
1 143 . 8 1 1 A 18 18 GLU N N 18 130.894 128.394 2.500 1
1 144 . 8 1 1 A 19 19 GLU H H 19 7.853 7.460 0.393 1
1 145 . 8 1 1 A 19 19 GLU HA H 19 4.470 4.898 -0.428 1
1 150 . 8 1 1 A 19 19 GLU CA C 19 56.110 55.657 0.453 1
1 151 . 8 1 1 A 19 19 GLU CB C 19 33.847 33.217 0.630 1
1 153 . 8 1 1 A 19 19 GLU N N 19 115.069 117.794 -2.725 1
1 154 . 8 1 1 A 20 20 ILE H H 20 8.744 8.839 -0.095 1
1 155 . 8 1 1 A 20 20 ILE HA H 20 4.080 4.619 -0.539 1
1 165 . 8 1 1 A 20 20 ILE CA C 20 60.619 59.942 0.677 1
1 166 . 8 1 1 A 20 20 ILE CB C 20 39.170 41.922 -2.752 1
1 170 . 8 1 1 A 20 20 ILE N N 20 127.309 125.573 1.736 1
1 171 . 8 1 1 A 21 21 ASP H H 21 7.468 8.242 -0.774 1
1 172 . 8 1 1 A 21 21 ASP HA H 21 3.949 4.515 -0.566 1
1 175 . 8 1 1 A 21 21 ASP CA C 21 54.970 54.385 0.585 1
1 176 . 8 1 1 A 21 21 ASP CB C 21 42.170 41.971 0.199 1
1 177 . 8 1 1 A 21 21 ASP N N 21 124.858 127.307 -2.449 1
1 178 . 8 1 1 A 22 22 VAL H H 22 8.650 8.666 -0.016 1
1 179 . 8 1 1 A 22 22 VAL HA H 22 3.998 4.353 -0.355 1
1 187 . 8 1 1 A 22 22 VAL CA C 22 64.445 63.678 0.767 1
1 188 . 8 1 1 A 22 22 VAL CB C 22 31.244 33.102 -1.858 1
1 191 . 8 1 1 A 22 22 VAL N N 22 130.172 125.203 4.969 1
1 192 . 8 1 1 A 23 23 ASP H H 23 7.482 7.978 -0.496 1
1 193 . 8 1 1 A 23 23 ASP HA H 23 4.711 4.397 0.314 1
1 196 . 8 1 1 A 23 23 ASP CA C 23 53.920 56.157 -2.237 1
1 197 . 8 1 1 A 23 23 ASP CB C 23 40.100 41.470 -1.370 1
1 198 . 8 1 1 A 23 23 ASP N N 23 118.547 121.266 -2.719 1
1 199 . 8 1 1 A 24 24 GLY H H 24 7.220 7.661 -0.441 1
1 200 . 8 1 1 A 24 24 GLY HA2 H 24 2.950 1.912 1.038 1
1 201 . 8 1 1 A 24 24 GLY HA3 H 24 2.407 3.305 -0.898 1
1 202 . 8 1 1 A 24 24 GLY CA C 24 45.040 44.214 0.826 1
1 203 . 8 1 1 A 24 24 GLY N N 24 105.293 106.591 -1.298 1
1 204 . 8 1 1 A 25 25 LYS H H 25 8.757 8.000 0.757 1
1 205 . 8 1 1 A 25 25 LYS HA H 25 3.964 4.457 -0.493 1
1 214 . 8 1 1 A 25 25 LYS CA C 25 56.590 57.230 -0.640 1
1 215 . 8 1 1 A 25 25 LYS CB C 25 33.660 34.792 -1.132 1
1 219 . 8 1 1 A 25 25 LYS N N 25 111.753 117.100 -5.347 1
1 220 . 8 1 1 A 26 26 PHE H H 26 6.380 7.753 -1.373 1
1 221 . 8 1 1 A 26 26 PHE HA H 26 5.753 5.510 0.243 1
1 229 . 8 1 1 A 26 26 PHE CA C 26 56.370 56.144 0.226 1
1 230 . 8 1 1 A 26 26 PHE CB C 26 40.030 41.012 -0.982 1
1 236 . 8 1 1 A 26 26 PHE N N 26 110.097 114.119 -4.022 1
1 237 . 8 1 1 A 27 27 ILE H H 27 8.601 8.772 -0.171 1
1 238 . 8 1 1 A 27 27 ILE HA H 27 4.506 4.828 -0.322 1
1 248 . 8 1 1 A 27 27 ILE CA C 27 60.905 60.356 0.549 1
1 249 . 8 1 1 A 27 27 ILE CB C 27 43.249 41.293 1.956 1
1 253 . 8 1 1 A 27 27 ILE N N 27 119.676 119.773 -0.097 1
1 254 . 8 1 1 A 28 28 ARG H H 28 9.290 8.947 0.343 1
1 255 . 8 1 1 A 28 28 ARG HA H 28 5.561 4.785 0.776 1
1 262 . 8 1 1 A 28 28 ARG CA C 28 54.650 55.248 -0.598 1
1 263 . 8 1 1 A 28 28 ARG CB C 28 34.180 31.634 2.546 1
1 266 . 8 1 1 A 28 28 ARG N N 28 127.516 128.247 -0.731 1
1 267 . 8 1 1 A 29 29 LEU H H 29 9.502 8.761 0.741 1
1 268 . 8 1 1 A 29 29 LEU HA H 29 5.306 4.706 0.600 1
1 278 . 8 1 1 A 29 29 LEU CA C 29 54.010 53.907 0.103 1
1 279 . 8 1 1 A 29 29 LEU CB C 29 44.020 42.986 1.034 1
1 283 . 8 1 1 A 29 29 LEU N N 29 126.696 128.130 -1.434 1
1 284 . 8 1 1 A 30 30 LYS H H 30 8.641 8.837 -0.196 1
1 285 . 8 1 1 A 30 30 LYS HA H 30 5.108 4.823 0.285 1
1 294 . 8 1 1 A 30 30 LYS CA C 30 54.660 55.004 -0.344 1
1 295 . 8 1 1 A 30 30 LYS CB C 30 38.070 36.178 1.892 1
1 299 . 8 1 1 A 30 30 LYS N N 30 118.761 121.741 -2.980 1
1 300 . 8 1 1 A 31 31 ASN H H 31 8.397 8.801 -0.404 1
1 301 . 8 1 1 A 31 31 ASN HA H 31 5.319 4.814 0.505 1
1 306 . 8 1 1 A 31 31 ASN CA C 31 50.690 52.457 -1.767 1
1 307 . 8 1 1 A 31 31 ASN CB C 31 37.490 38.424 -0.934 1
1 308 . 8 1 1 A 31 31 ASN N N 31 123.996 124.471 -0.475 1
1 310 . 8 1 1 A 32 32 THR H H 32 8.455 8.656 -0.201 1
1 311 . 8 1 1 A 32 32 THR HA H 32 4.302 4.485 -0.183 1
1 316 . 8 1 1 A 32 32 THR CA C 32 61.492 62.585 -1.093 1
1 317 . 8 1 1 A 32 32 THR CB C 32 68.110 69.138 -1.028 1
1 319 . 8 1 1 A 32 32 THR N N 32 115.755 122.089 -6.334 1
1 320 . 8 1 1 A 33 33 SER H H 33 8.487 7.490 0.997 1
1 321 . 8 1 1 A 33 33 SER HA H 33 4.793 4.449 0.344 1
1 324 . 8 1 1 A 33 33 SER CA C 33 57.500 57.831 -0.331 1
1 325 . 8 1 1 A 33 33 SER CB C 33 66.510 64.551 1.959 1
1 326 . 8 1 1 A 33 33 SER N N 33 120.037 118.750 1.287 1
1 327 . 8 1 1 A 34 34 GLU H H 34 8.355 8.926 -0.571 1
1 328 . 8 1 1 A 34 34 GLU HA H 34 4.335 4.444 -0.109 1
1 333 . 8 1 1 A 34 34 GLU CA C 34 55.840 56.357 -0.517 1
1 334 . 8 1 1 A 34 34 GLU CB C 34 28.930 29.100 -0.170 1
1 336 . 8 1 1 A 34 34 GLU N N 34 116.545 123.742 -7.197 1
1 337 . 8 1 1 A 35 35 GLN H H 35 8.634 7.391 1.243 1
1 338 . 8 1 1 A 35 35 GLN HA H 35 4.664 4.554 0.110 1
1 345 . 8 1 1 A 35 35 GLN CA C 35 53.740 55.297 -1.557 1
1 346 . 8 1 1 A 35 35 GLN CB C 35 31.696 32.851 -1.155 1
1 348 . 8 1 1 A 35 35 GLN N N 35 120.013 119.905 0.108 1
1 350 . 8 1 1 A 36 36 ASP H H 36 8.859 8.639 0.220 1
1 351 . 8 1 1 A 36 36 ASP HA H 36 4.050 5.083 -1.033 1
1 354 . 8 1 1 A 36 36 ASP CA C 36 54.640 54.312 0.328 1
1 355 . 8 1 1 A 36 36 ASP CB C 36 40.120 40.540 -0.420 1
1 356 . 8 1 1 A 36 36 ASP N N 36 124.552 123.428 1.124 1
1 357 . 8 1 1 A 37 37 GLN H H 37 8.141 8.629 -0.488 1
1 358 . 8 1 1 A 37 37 GLN HA H 37 4.786 4.779 0.007 1
1 365 . 8 1 1 A 37 37 GLN CA C 37 50.858 52.216 -1.358 1
1 366 . 8 1 1 A 37 37 GLN CB C 37 31.860 29.297 2.563 1
1 368 . 8 1 1 A 37 37 GLN N N 37 120.015 123.244 -3.229 1
1 370 . 8 1 1 A 38 38 PRO HA H 38 4.367 4.500 -0.133 1
1 377 . 8 1 1 A 38 38 PRO CA C 38 63.330 62.776 0.554 1
1 378 . 8 1 1 A 38 38 PRO CB C 38 31.750 31.579 0.171 1
1 381 . 8 1 1 A 39 39 MET H H 39 8.392 7.787 0.605 1
1 382 . 8 1 1 A 39 39 MET HA H 39 2.792 4.252 -1.460 1
1 390 . 8 1 1 A 39 39 MET CA C 39 53.780 54.323 -0.543 1
1 391 . 8 1 1 A 39 39 MET CB C 39 34.410 31.325 3.085 1
1 394 . 8 1 1 A 39 39 MET N N 39 124.427 122.514 1.913 1
1 395 . 8 1 1 A 40 40 GLY H H 40 7.940 8.490 -0.550 1
1 396 . 8 1 1 A 40 40 GLY HA2 H 40 4.154 4.074 0.080 1
1 397 . 8 1 1 A 40 40 GLY HA3 H 40 3.763 4.079 -0.316 1
1 398 . 8 1 1 A 40 40 GLY CA C 40 48.114 46.465 1.649 1
1 399 . 8 1 1 A 40 40 GLY N N 40 108.664 112.431 -3.767 1
1 400 . 8 1 1 A 41 41 GLY H H 41 7.959 8.216 -0.257 1
1 401 . 8 1 1 A 41 41 GLY HA2 H 41 4.323 3.829 0.494 1
1 402 . 8 1 1 A 41 41 GLY HA3 H 41 3.769 3.875 -0.106 1
1 403 . 8 1 1 A 41 41 GLY CA C 41 46.020 46.357 -0.337 1
1 404 . 8 1 1 A 41 41 GLY N N 41 114.027 107.689 6.338 1
1 405 . 8 1 1 A 42 42 TRP H H 42 8.667 7.873 0.794 1
1 406 . 8 1 1 A 42 42 TRP HA H 42 4.408 5.214 -0.806 1
1 415 . 8 1 1 A 42 42 TRP CA C 42 58.925 55.843 3.082 1
1 416 . 8 1 1 A 42 42 TRP CB C 42 28.120 33.567 -5.447 1
1 422 . 8 1 1 A 42 42 TRP N N 42 122.097 118.936 3.161 1
1 424 . 8 1 1 A 43 43 GLU H H 43 8.740 9.197 -0.457 1
1 425 . 8 1 1 A 43 43 GLU HA H 43 5.462 5.014 0.448 1
1 430 . 8 1 1 A 43 43 GLU CA C 43 54.410 55.051 -0.641 1
1 431 . 8 1 1 A 43 43 GLU CB C 43 33.980 33.325 0.655 1
1 433 . 8 1 1 A 43 43 GLU N N 43 120.300 123.087 -2.787 1
1 434 . 8 1 1 A 44 44 MET H H 44 9.658 9.086 0.572 1
1 435 . 8 1 1 A 44 44 MET HA H 44 5.488 5.364 0.124 1
1 443 . 8 1 1 A 44 44 MET CA C 44 53.360 53.909 -0.549 1
1 444 . 8 1 1 A 44 44 MET CB C 44 37.490 35.625 1.865 1
1 447 . 8 1 1 A 44 44 MET N N 44 126.477 126.774 -0.297 1
1 448 . 8 1 1 A 45 45 ILE H H 45 9.658 9.259 0.399 1
1 449 . 8 1 1 A 45 45 ILE HA H 45 4.781 5.122 -0.341 1
1 459 . 8 1 1 A 45 45 ILE CA C 45 60.413 60.494 -0.081 1
1 460 . 8 1 1 A 45 45 ILE CB C 45 40.804 40.446 0.358 1
1 464 . 8 1 1 A 45 45 ILE N N 45 127.329 126.669 0.660 1
1 465 . 8 1 1 A 46 46 ARG H H 46 9.217 9.533 -0.316 1
1 466 . 8 1 1 A 46 46 ARG HA H 46 5.083 5.039 0.044 1
1 474 . 8 1 1 A 46 46 ARG CA C 46 53.760 54.935 -1.175 1
1 475 . 8 1 1 A 46 46 ARG CB C 46 33.559 32.308 1.251 1
1 478 . 8 1 1 A 46 46 ARG N N 46 126.837 129.630 -2.793 1
1 480 . 8 1 1 A 47 47 LYS H H 47 9.876 9.022 0.854 1
1 481 . 8 1 1 A 47 47 LYS HA H 47 5.257 4.991 0.266 1
1 490 . 8 1 1 A 47 47 LYS CA C 47 55.260 55.154 0.106 1
1 491 . 8 1 1 A 47 47 LYS CB C 47 34.860 34.620 0.240 1
1 495 . 8 1 1 A 47 47 LYS N N 47 132.271 126.325 5.946 1
1 496 . 8 1 1 A 48 48 ILE H H 48 7.909 8.822 -0.913 1
1 497 . 8 1 1 A 48 48 ILE HA H 48 4.360 4.424 -0.064 1
1 507 . 8 1 1 A 48 48 ILE CA C 48 61.132 59.346 1.786 1
1 508 . 8 1 1 A 48 48 ILE CB C 48 40.316 39.116 1.200 1
1 512 . 8 1 1 A 48 48 ILE N N 48 125.793 123.404 2.389 1
1 513 . 8 1 1 A 49 49 GLY H H 49 9.576 8.936 0.640 1
1 514 . 8 1 1 A 49 49 GLY HA2 H 49 4.021 3.838 0.183 1
1 515 . 8 1 1 A 49 49 GLY HA3 H 49 3.730 3.838 -0.108 1
1 516 . 8 1 1 A 49 49 GLY CA C 49 46.910 47.315 -0.405 1
1 517 . 8 1 1 A 49 49 GLY N N 49 120.665 118.547 2.118 1
1 518 . 8 1 1 A 50 50 ASP H H 50 8.935 8.720 0.215 1
1 519 . 8 1 1 A 50 50 ASP HA H 50 4.777 4.486 0.291 1
1 522 . 8 1 1 A 50 50 ASP CA C 50 54.000 56.238 -2.238 1
1 523 . 8 1 1 A 50 50 ASP CB C 50 40.520 41.349 -0.829 1
1 524 . 8 1 1 A 50 50 ASP N N 50 126.343 125.155 1.188 1
1 525 . 8 1 1 A 51 51 THR H H 51 8.253 7.955 0.298 1
1 526 . 8 1 1 A 51 51 THR HA H 51 4.638 4.564 0.074 1
1 531 . 8 1 1 A 51 51 THR CA C 51 61.690 60.179 1.511 1
1 532 . 8 1 1 A 51 51 THR CB C 51 71.080 70.589 0.491 1
1 534 . 8 1 1 A 51 51 THR N N 51 115.167 113.643 1.524 1
1 535 . 8 1 1 A 52 52 SER H H 52 8.710 8.744 -0.034 1
1 536 . 8 1 1 A 52 52 SER HA H 52 5.318 5.315 0.003 1
1 539 . 8 1 1 A 52 52 SER CA C 52 57.290 57.035 0.255 1
1 540 . 8 1 1 A 52 52 SER CB C 52 64.730 66.632 -1.902 1
1 541 . 8 1 1 A 52 52 SER N N 52 121.442 116.103 5.339 1
1 542 . 8 1 1 A 53 53 VAL H H 53 8.448 9.052 -0.604 1
1 543 . 8 1 1 A 53 53 VAL HA H 53 4.650 5.089 -0.439 1
1 551 . 8 1 1 A 53 53 VAL CA C 53 60.449 59.588 0.861 1
1 552 . 8 1 1 A 53 53 VAL CB C 53 35.105 35.441 -0.336 1
1 555 . 8 1 1 A 53 53 VAL N N 53 121.387 120.916 0.471 1
1 556 . 8 1 1 A 54 54 SER H H 54 8.761 9.128 -0.367 1
1 557 . 8 1 1 A 54 54 SER HA H 54 5.760 6.011 -0.251 1
1 560 . 8 1 1 A 54 54 SER CA C 54 57.180 55.693 1.487 1
1 561 . 8 1 1 A 54 54 SER CB C 54 65.910 66.461 -0.551 1
1 562 . 8 1 1 A 54 54 SER N N 54 118.025 122.526 -4.501 1
1 563 . 8 1 1 A 55 55 TYR H H 55 9.340 8.813 0.527 1
1 564 . 8 1 1 A 55 55 TYR HA H 55 4.175 4.736 -0.561 1
1 571 . 8 1 1 A 55 55 TYR CA C 55 57.100 58.107 -1.007 1
1 572 . 8 1 1 A 55 55 TYR CB C 55 39.870 40.797 -0.927 1
1 577 . 8 1 1 A 55 55 TYR N N 55 128.024 121.603 6.421 1
1 578 . 8 1 1 A 56 56 LYS H H 56 7.551 8.371 -0.820 1
1 579 . 8 1 1 A 56 56 LYS HA H 56 4.890 4.136 0.754 1
1 588 . 8 1 1 A 56 56 LYS CA C 56 54.117 54.872 -0.755 1
1 589 . 8 1 1 A 56 56 LYS CB C 56 33.610 33.468 0.142 1
1 593 . 8 1 1 A 56 56 LYS N N 56 127.706 129.165 -1.459 1
1 594 . 8 1 1 A 57 57 TYR H H 57 8.247 8.976 -0.729 1
1 595 . 8 1 1 A 57 57 TYR HA H 57 3.996 4.899 -0.903 1
1 602 . 8 1 1 A 57 57 TYR CA C 57 59.032 57.270 1.762 1
1 603 . 8 1 1 A 57 57 TYR CB C 57 39.390 40.895 -1.505 1
1 608 . 8 1 1 A 57 57 TYR N N 57 124.225 124.719 -0.494 1
1 609 . 8 1 1 A 58 58 THR H H 58 8.722 8.981 -0.259 1
1 610 . 8 1 1 A 58 58 THR HA H 58 4.259 5.157 -0.898 1
1 615 . 8 1 1 A 58 58 THR CA C 58 62.250 59.786 2.464 1
1 616 . 8 1 1 A 58 58 THR CB C 58 69.280 71.617 -2.337 1
1 618 . 8 1 1 A 58 58 THR N N 58 116.096 115.242 0.854 1
1 619 . 8 1 1 A 59 59 SER H H 59 8.402 8.922 -0.520 1
1 620 . 8 1 1 A 59 59 SER HA H 59 4.050 4.310 -0.260 1
1 623 . 8 1 1 A 59 59 SER CA C 59 61.680 57.568 4.112 1
1 624 . 8 1 1 A 59 59 SER CB C 59 63.210 62.483 0.727 1
1 625 . 8 1 1 A 59 59 SER N N 59 114.556 123.570 -9.014 1
1 626 . 8 1 1 A 60 60 ARG H H 60 8.176 8.504 -0.328 1
1 627 . 8 1 1 A 60 60 ARG HA H 60 4.489 4.630 -0.141 1
1 634 . 8 1 1 A 60 60 ARG CA C 60 54.960 55.498 -0.538 1
1 635 . 8 1 1 A 60 60 ARG CB C 60 29.846 31.748 -1.902 1
1 638 . 8 1 1 A 60 60 ARG N N 60 118.244 124.328 -6.084 1
1 639 . 8 1 1 A 61 61 TYR H H 61 7.617 7.411 0.206 1
1 640 . 8 1 1 A 61 61 TYR HA H 61 3.897 5.051 -1.154 1
1 647 . 8 1 1 A 61 61 TYR CA C 61 61.930 56.501 5.429 1
1 648 . 8 1 1 A 61 61 TYR CB C 61 38.670 40.271 -1.601 1
1 653 . 8 1 1 A 61 61 TYR N N 61 122.301 116.137 6.164 1
1 654 . 8 1 1 A 62 62 VAL H H 62 7.363 8.824 -1.461 1
1 655 . 8 1 1 A 62 62 VAL HA H 62 3.893 4.697 -0.804 1
1 663 . 8 1 1 A 62 62 VAL CA C 62 60.590 60.056 0.534 1
1 664 . 8 1 1 A 62 62 VAL CB C 62 35.270 34.379 0.891 1
1 667 . 8 1 1 A 62 62 VAL N N 62 129.952 117.761 12.191 1
1 668 . 8 1 1 A 63 63 LEU H H 63 7.852 8.957 -1.105 1
1 669 . 8 1 1 A 63 63 LEU HA H 63 4.558 4.629 -0.071 1
1 679 . 8 1 1 A 63 63 LEU CA C 63 51.980 53.997 -2.017 1
1 680 . 8 1 1 A 63 63 LEU CB C 63 42.600 41.584 1.016 1
1 684 . 8 1 1 A 63 63 LEU N N 63 128.635 127.054 1.581 1
1 685 . 8 1 1 A 64 64 LYS H H 64 8.770 8.545 0.225 1
1 686 . 8 1 1 A 64 64 LYS HA H 64 3.722 4.300 -0.578 1
1 695 . 8 1 1 A 64 64 LYS CA C 64 57.360 56.215 1.145 1
1 696 . 8 1 1 A 64 64 LYS CB C 64 32.381 33.225 -0.844 1
1 700 . 8 1 1 A 64 64 LYS N N 64 130.633 125.030 5.603 1
1 701 . 8 1 1 A 65 65 ALA H H 65 8.628 8.407 0.221 1
1 702 . 8 1 1 A 65 65 ALA HA H 65 3.557 4.228 -0.671 1
1 706 . 8 1 1 A 65 65 ALA CA C 65 53.700 53.910 -0.210 1
1 707 . 8 1 1 A 65 65 ALA CB C 65 18.660 18.335 0.325 1
1 708 . 8 1 1 A 65 65 ALA N N 65 123.214 124.792 -1.578 1
1 709 . 8 1 1 A 66 66 GLY H H 66 7.505 9.027 -1.522 1
1 710 . 8 1 1 A 66 66 GLY HA2 H 66 4.020 3.858 0.162 1
1 711 . 8 1 1 A 66 66 GLY HA3 H 66 4.020 3.863 0.157 1
1 712 . 8 1 1 A 66 66 GLY CA C 66 46.864 45.434 1.430 1
1 713 . 8 1 1 A 66 66 GLY N N 66 112.913 111.894 1.019 1
1 714 . 8 1 1 A 67 67 GLN H H 67 8.136 8.025 0.111 1
1 715 . 8 1 1 A 67 67 GLN HA H 67 4.436 4.386 0.050 1
1 722 . 8 1 1 A 67 67 GLN CA C 67 55.029 55.565 -0.536 1
1 723 . 8 1 1 A 67 67 GLN CB C 67 29.700 29.732 -0.032 1
1 725 . 8 1 1 A 67 67 GLN N N 67 118.759 121.501 -2.742 1
1 727 . 8 1 1 A 68 68 THR H H 68 8.066 8.514 -0.448 1
1 728 . 8 1 1 A 68 68 THR HA H 68 5.414 5.417 -0.003 1
1 733 . 8 1 1 A 68 68 THR CA C 68 60.050 60.202 -0.152 1
1 734 . 8 1 1 A 68 68 THR CB C 68 72.052 70.410 1.642 1
1 736 . 8 1 1 A 68 68 THR N N 68 111.842 115.604 -3.762 1
1 737 . 8 1 1 A 69 69 VAL H H 69 8.780 9.236 -0.456 1
1 738 . 8 1 1 A 69 69 VAL HA H 69 4.989 4.920 0.069 1
1 746 . 8 1 1 A 69 69 VAL CA C 69 59.265 59.752 -0.487 1
1 747 . 8 1 1 A 69 69 VAL CB C 69 33.600 34.236 -0.636 1
1 750 . 8 1 1 A 69 69 VAL N N 69 120.958 123.478 -2.520 1
1 751 . 8 1 1 A 70 70 THR H H 70 8.660 9.050 -0.390 1
1 752 . 8 1 1 A 70 70 THR HA H 70 4.618 4.857 -0.239 1
1 757 . 8 1 1 A 70 70 THR CA C 70 61.730 62.071 -0.341 1
1 758 . 8 1 1 A 70 70 THR CB C 70 69.550 68.862 0.688 1
1 760 . 8 1 1 A 70 70 THR N N 70 125.533 124.823 0.710 1
1 761 . 8 1 1 A 71 71 ILE H H 71 8.994 8.849 0.145 1
1 762 . 8 1 1 A 71 71 ILE HA H 71 4.369 4.789 -0.420 1
1 772 . 8 1 1 A 71 71 ILE CA C 71 59.162 60.930 -1.768 1
1 773 . 8 1 1 A 71 71 ILE CB C 71 36.826 37.332 -0.506 1
1 777 . 8 1 1 A 71 71 ILE N N 71 127.838 127.568 0.270 1
1 778 . 8 1 1 A 72 72 TRP H H 72 9.270 9.150 0.120 1
1 779 . 8 1 1 A 72 72 TRP HA H 72 5.167 5.313 -0.146 1
1 788 . 8 1 1 A 72 72 TRP CA C 72 56.180 57.659 -1.479 1
1 789 . 8 1 1 A 72 72 TRP CB C 72 31.490 30.637 0.853 1
1 795 . 8 1 1 A 72 72 TRP N N 72 127.112 129.519 -2.407 1
1 797 . 8 1 1 A 73 73 ALA H H 73 9.010 9.260 -0.250 1
1 798 . 8 1 1 A 73 73 ALA HA H 73 4.617 4.643 -0.026 1
1 802 . 8 1 1 A 73 73 ALA CA C 73 52.110 51.691 0.419 1
1 803 . 8 1 1 A 73 73 ALA CB C 73 19.070 20.285 -1.215 1
1 804 . 8 1 1 A 73 73 ALA N N 73 122.140 124.077 -1.937 1
1 805 . 8 1 1 A 74 74 ALA H H 74 9.002 8.917 0.085 1
1 806 . 8 1 1 A 74 74 ALA HA H 74 4.042 4.048 -0.006 1
1 810 . 8 1 1 A 74 74 ALA CA C 74 54.650 55.045 -0.395 1
1 811 . 8 1 1 A 74 74 ALA CB C 74 18.070 18.303 -0.233 1
1 812 . 8 1 1 A 74 74 ALA N N 74 123.213 122.167 1.046 1
1 813 . 8 1 1 A 75 75 ASN H H 75 8.162 7.919 0.243 1
1 814 . 8 1 1 A 75 75 ASN HA H 75 5.015 4.957 0.058 1
1 819 . 8 1 1 A 75 75 ASN CA C 75 51.650 53.197 -1.547 1
1 820 . 8 1 1 A 75 75 ASN CB C 75 36.590 39.044 -2.454 1
1 821 . 8 1 1 A 75 75 ASN N N 75 112.259 114.748 -2.489 1
1 823 . 8 1 1 A 76 76 ALA H H 76 7.605 7.375 0.230 1
1 824 . 8 1 1 A 76 76 ALA HA H 76 4.281 4.180 0.101 1
1 828 . 8 1 1 A 76 76 ALA CA C 76 53.203 53.279 -0.076 1
1 829 . 8 1 1 A 76 76 ALA CB C 76 20.210 19.420 0.790 1
1 830 . 8 1 1 A 76 76 ALA N N 76 120.777 123.145 -2.368 1
1 831 . 8 1 1 A 77 77 GLY H H 77 8.449 8.695 -0.246 1
1 832 . 8 1 1 A 77 77 GLY HA2 H 77 3.960 3.850 0.110 1
1 833 . 8 1 1 A 77 77 GLY HA3 H 77 3.537 3.867 -0.330 1
1 834 . 8 1 1 A 77 77 GLY CA C 77 45.410 46.124 -0.714 1
1 835 . 8 1 1 A 77 77 GLY N N 77 107.064 108.041 -0.977 1
1 836 . 8 1 1 A 78 78 VAL H H 78 7.286 7.583 -0.297 1
1 837 . 8 1 1 A 78 78 VAL HA H 78 3.804 4.676 -0.872 1
1 845 . 8 1 1 A 78 78 VAL CA C 78 60.736 59.302 1.434 1
1 846 . 8 1 1 A 78 78 VAL CB C 78 33.590 35.109 -1.519 1
1 849 . 8 1 1 A 78 78 VAL N N 78 120.566 115.128 5.438 1
1 850 . 8 1 1 A 79 79 THR H H 79 8.148 8.303 -0.155 1
1 851 . 8 1 1 A 79 79 THR HA H 79 4.145 4.142 0.003 1
1 856 . 8 1 1 A 79 79 THR CA C 79 61.395 63.651 -2.256 1
1 857 . 8 1 1 A 79 79 THR CB C 79 69.620 68.066 1.554 1
1 859 . 8 1 1 A 79 79 THR N N 79 121.617 117.276 4.341 1
1 860 . 8 1 1 A 80 80 ALA H H 80 8.593 8.647 -0.054 1
1 861 . 8 1 1 A 80 80 ALA HA H 80 3.703 4.455 -0.752 1
1 865 . 8 1 1 A 80 80 ALA CA C 80 53.410 51.952 1.458 1
1 866 . 8 1 1 A 80 80 ALA CB C 80 19.180 18.575 0.605 1
1 867 . 8 1 1 A 80 80 ALA N N 80 126.311 130.340 -4.029 1
1 868 . 8 1 1 A 81 81 SER H H 81 9.101 7.428 1.673 1
1 869 . 8 1 1 A 81 81 SER HA H 81 4.747 4.935 -0.188 1
1 872 . 8 1 1 A 81 81 SER CA C 81 55.046 55.816 -0.770 1
1 873 . 8 1 1 A 81 81 SER CB C 81 62.680 66.300 -3.620 1
1 874 . 8 1 1 A 81 81 SER N N 81 114.816 114.199 0.617 1
1 875 . 8 1 1 A 82 82 PRO HA H 82 4.328 4.458 -0.130 1
1 882 . 8 1 1 A 82 82 PRO CA C 82 62.158 62.586 -0.428 1
1 883 . 8 1 1 A 82 82 PRO CB C 82 30.480 32.817 -2.337 1
1 886 . 8 1 1 A 83 83 PRO HA H 83 4.821 4.263 0.558 1
1 893 . 8 1 1 A 83 83 PRO CA C 83 64.384 66.153 -1.769 1
1 894 . 8 1 1 A 83 83 PRO CB C 83 34.750 31.203 3.547 1
1 897 . 8 1 1 A 84 84 THR H H 84 8.007 7.580 0.427 1
1 898 . 8 1 1 A 84 84 THR HA H 84 4.567 3.991 0.576 1
1 903 . 8 1 1 A 84 84 THR CA C 84 64.770 64.076 0.694 1
1 904 . 8 1 1 A 84 84 THR CB C 84 69.370 69.923 -0.553 1
1 906 . 8 1 1 A 84 84 THR N N 84 114.629 110.045 4.584 1
1 907 . 8 1 1 A 85 85 ASP H H 85 7.952 7.893 0.059 1
1 908 . 8 1 1 A 85 85 ASP HA H 85 5.950 4.443 1.507 1
1 911 . 8 1 1 A 85 85 ASP CA C 85 54.110 54.574 -0.464 1
1 912 . 8 1 1 A 85 85 ASP CB C 85 43.510 41.309 2.201 1
1 913 . 8 1 1 A 85 85 ASP N N 85 124.539 120.945 3.594 1
1 914 . 8 1 1 A 86 86 LEU H H 86 9.271 8.828 0.443 1
1 915 . 8 1 1 A 86 86 LEU HA H 86 4.953 4.794 0.159 1
1 925 . 8 1 1 A 86 86 LEU CA C 86 52.230 54.107 -1.877 1
1 926 . 8 1 1 A 86 86 LEU CB C 86 44.070 41.560 2.510 1
1 930 . 8 1 1 A 86 86 LEU N N 86 124.265 125.534 -1.269 1
1 931 . 8 1 1 A 87 87 ILE H H 87 8.691 8.667 0.024 1
1 932 . 8 1 1 A 87 87 ILE HA H 87 4.802 4.296 0.506 1
1 942 . 8 1 1 A 87 87 ILE CA C 87 58.694 61.973 -3.279 1
1 943 . 8 1 1 A 87 87 ILE CB C 87 37.945 37.914 0.031 1
1 947 . 8 1 1 A 87 87 ILE N N 87 119.475 125.523 -6.048 1
1 948 . 8 1 1 A 88 88 TRP H H 88 9.755 9.152 0.603 1
1 949 . 8 1 1 A 88 88 TRP HA H 88 4.918 4.158 0.760 1
1 958 . 8 1 1 A 88 88 TRP CA C 88 54.900 55.434 -0.534 1
1 959 . 8 1 1 A 88 88 TRP CB C 88 27.270 28.446 -1.176 1
1 965 . 8 1 1 A 88 88 TRP N N 88 132.610 129.938 2.672 1
1 967 . 8 1 1 A 89 89 LYS H H 89 8.282 8.601 -0.319 1
1 968 . 8 1 1 A 89 89 LYS HA H 89 3.996 4.469 -0.473 1
1 977 . 8 1 1 A 89 89 LYS CA C 89 58.847 56.914 1.933 1
1 978 . 8 1 1 A 89 89 LYS CB C 89 32.360 32.251 0.109 1
1 982 . 8 1 1 A 89 89 LYS N N 89 125.513 126.300 -0.787 1
1 983 . 8 1 1 A 90 90 ASN H H 90 8.810 8.135 0.675 1
1 984 . 8 1 1 A 90 90 ASN HA H 90 4.434 5.101 -0.667 1
1 989 . 8 1 1 A 90 90 ASN CA C 90 54.010 53.264 0.746 1
1 990 . 8 1 1 A 90 90 ASN CB C 90 37.770 40.685 -2.915 1
1 991 . 8 1 1 A 90 90 ASN N N 90 114.946 116.636 -1.690 1
1 993 . 8 1 1 A 91 91 GLN H H 91 7.546 7.089 0.457 1
1 994 . 8 1 1 A 91 91 GLN HA H 91 4.412 4.771 -0.359 1
1 1001 . 8 1 1 A 91 91 GLN CA C 91 53.520 55.121 -1.601 1
1 1002 . 8 1 1 A 91 91 GLN CB C 91 28.470 31.360 -2.890 1
1 1004 . 8 1 1 A 91 91 GLN N N 91 117.746 119.308 -1.562 1
1 1006 . 8 1 1 A 92 92 ASN H H 92 8.451 8.626 -0.175 1
1 1007 . 8 1 1 A 92 92 ASN HA H 92 4.876 4.871 0.005 1
1 1012 . 8 1 1 A 92 92 ASN CA C 92 52.080 53.073 -0.993 1
1 1013 . 8 1 1 A 92 92 ASN CB C 92 39.400 39.542 -0.142 1
1 1014 . 8 1 1 A 92 92 ASN N N 92 123.697 125.173 -1.476 1
1 1016 . 8 1 1 A 93 93 SER H H 93 9.337 8.337 1.000 1
1 1017 . 8 1 1 A 93 93 SER HA H 93 3.977 4.208 -0.231 1
1 1020 . 8 1 1 A 93 93 SER CA C 93 58.940 57.848 1.092 1
1 1021 . 8 1 1 A 93 93 SER CB C 93 62.940 63.849 -0.909 1
1 1022 . 8 1 1 A 93 93 SER N N 93 117.010 115.642 1.368 1
1 1023 . 8 1 1 A 94 94 TRP H H 94 7.857 8.285 -0.428 1
1 1024 . 8 1 1 A 94 94 TRP HA H 94 4.905 4.336 0.569 1
1 1033 . 8 1 1 A 94 94 TRP CA C 94 56.770 59.966 -3.196 1
1 1034 . 8 1 1 A 94 94 TRP CB C 94 27.900 29.059 -1.159 1
1 1039 . 8 1 1 A 94 94 TRP N N 94 120.449 127.847 -7.398 1
1 1041 . 8 1 1 A 95 95 GLY H H 95 7.795 7.340 0.455 1
1 1042 . 8 1 1 A 95 95 GLY HA2 H 95 3.953 3.793 0.160 1
1 1043 . 8 1 1 A 95 95 GLY HA3 H 95 3.763 3.848 -0.085 1
1 1044 . 8 1 1 A 95 95 GLY CA C 95 45.487 46.466 -0.979 1
1 1045 . 8 1 1 A 95 95 GLY N N 95 109.481 109.515 -0.034 1
1 1046 . 8 1 1 A 96 96 THR H H 96 8.028 8.669 -0.641 1
1 1047 . 8 1 1 A 96 96 THR HA H 96 4.696 4.307 0.389 1
1 1052 . 8 1 1 A 96 96 THR CA C 96 60.880 63.420 -2.540 1
1 1053 . 8 1 1 A 96 96 THR CB C 96 70.040 70.504 -0.464 1
1 1055 . 8 1 1 A 96 96 THR N N 96 112.538 114.973 -2.435 1
1 1056 . 8 1 1 A 97 97 GLY H H 97 8.443 8.617 -0.174 1
1 1057 . 8 1 1 A 97 97 GLY HA2 H 97 3.482 4.051 -0.569 1
1 1058 . 8 1 1 A 97 97 GLY HA3 H 97 3.862 4.103 -0.241 1
1 1059 . 8 1 1 A 97 97 GLY CA C 97 45.945 45.926 0.019 1
1 1060 . 8 1 1 A 97 97 GLY N N 97 111.464 112.393 -0.929 1
1 1061 . 8 1 1 A 98 98 GLU H H 98 8.010 7.670 0.340 1
1 1062 . 8 1 1 A 98 98 GLU HA H 98 4.471 4.766 -0.295 1
1 1067 . 8 1 1 A 98 98 GLU CA C 98 54.730 55.282 -0.552 1
1 1068 . 8 1 1 A 98 98 GLU CB C 98 30.719 31.780 -1.061 1
1 1070 . 8 1 1 A 98 98 GLU N N 98 118.563 119.935 -1.372 1
1 1071 . 8 1 1 A 99 99 ASP H H 99 8.680 9.002 -0.322 1
1 1072 . 8 1 1 A 99 99 ASP HA H 99 4.612 4.811 -0.199 1
1 1075 . 8 1 1 A 99 99 ASP CA C 99 54.451 57.114 -2.663 1
1 1076 . 8 1 1 A 99 99 ASP CB C 99 39.540 40.141 -0.601 1
1 1077 . 8 1 1 A 99 99 ASP N N 99 122.219 121.667 0.552 1
1 1078 . 8 1 1 A 100 100 VAL H H 100 8.215 7.887 0.328 1
1 1079 . 8 1 1 A 100 100 VAL HA H 100 4.495 3.797 0.698 1
1 1087 . 8 1 1 A 100 100 VAL CA C 100 60.920 62.864 -1.944 1
1 1088 . 8 1 1 A 100 100 VAL CB C 100 34.150 30.020 4.130 1
1 1091 . 8 1 1 A 100 100 VAL N N 100 123.901 119.059 4.842 1
1 1092 . 8 1 1 A 101 101 LYS H H 101 8.600 7.911 0.689 1
1 1093 . 8 1 1 A 101 101 LYS HA H 101 5.112 4.627 0.485 1
1 1102 . 8 1 1 A 101 101 LYS CA C 101 54.718 55.991 -1.273 1
1 1103 . 8 1 1 A 101 101 LYS CB C 101 35.326 33.535 1.791 1
1 1107 . 8 1 1 A 101 101 LYS N N 101 126.635 130.373 -3.738 1
1 1108 . 8 1 1 A 102 102 VAL H H 102 9.209 8.882 0.327 1
1 1109 . 8 1 1 A 102 102 VAL HA H 102 5.405 4.852 0.553 1
1 1117 . 8 1 1 A 102 102 VAL CA C 102 59.950 60.186 -0.236 1
1 1118 . 8 1 1 A 102 102 VAL CB C 102 34.420 34.092 0.328 1
1 1121 . 8 1 1 A 102 102 VAL N N 102 125.573 125.859 -0.286 1
1 1122 . 8 1 1 A 103 103 ILE H H 103 8.968 9.414 -0.446 1
1 1123 . 8 1 1 A 103 103 ILE HA H 103 4.671 4.901 -0.230 1
1 1133 . 8 1 1 A 103 103 ILE CA C 103 59.790 59.706 0.084 1
1 1134 . 8 1 1 A 103 103 ILE CB C 103 42.522 41.655 0.867 1
1 1138 . 8 1 1 A 103 103 ILE N N 103 125.593 128.113 -2.520 1
1 1139 . 8 1 1 A 104 104 LEU H H 104 9.017 9.015 0.002 1
1 1140 . 8 1 1 A 104 104 LEU HA H 104 5.361 5.267 0.094 1
1 1150 . 8 1 1 A 104 104 LEU CA C 104 52.800 53.484 -0.684 1
1 1151 . 8 1 1 A 104 104 LEU CB C 104 46.200 43.052 3.148 1
1 1155 . 8 1 1 A 104 104 LEU N N 104 127.791 126.976 0.815 1
1 1156 . 8 1 1 A 105 105 LYS H H 105 9.674 8.965 0.709 1
1 1157 . 8 1 1 A 105 105 LYS HA H 105 5.194 5.227 -0.033 1
1 1166 . 8 1 1 A 105 105 LYS CA C 105 53.780 54.077 -0.297 1
1 1167 . 8 1 1 A 105 105 LYS CB C 105 36.330 35.160 1.170 1
1 1171 . 8 1 1 A 105 105 LYS N N 105 126.536 124.073 2.463 1
1 1172 . 8 1 1 A 106 106 ASN H H 106 7.774 8.474 -0.700 1
1 1173 . 8 1 1 A 106 106 ASN HA H 106 2.714 4.462 -1.748 1
1 1178 . 8 1 1 A 106 106 ASN CA C 106 49.530 52.144 -2.614 1
1 1179 . 8 1 1 A 106 106 ASN CB C 106 36.940 39.313 -2.373 1
1 1180 . 8 1 1 A 106 106 ASN N N 106 116.550 120.763 -4.213 1
1 1182 . 8 1 1 A 107 107 SER H H 107 6.988 8.251 -1.263 1
1 1183 . 8 1 1 A 107 107 SER HA H 107 4.092 4.036 0.056 1
1 1186 . 8 1 1 A 107 107 SER CA C 107 60.490 61.613 -1.123 1
1 1187 . 8 1 1 A 107 107 SER CB C 107 62.510 62.378 0.132 1
1 1188 . 8 1 1 A 107 107 SER N N 107 112.400 116.426 -4.026 1
1 1189 . 8 1 1 A 108 108 GLN H H 108 7.414 7.734 -0.320 1
1 1190 . 8 1 1 A 108 108 GLN HA H 108 4.404 4.286 0.118 1
1 1197 . 8 1 1 A 108 108 GLN CA C 108 55.470 55.608 -0.138 1
1 1198 . 8 1 1 A 108 108 GLN CB C 108 28.400 28.904 -0.504 1
1 1200 . 8 1 1 A 108 108 GLN N N 108 119.000 117.995 1.005 1
1 1202 . 8 1 1 A 109 109 GLY H H 109 7.835 8.048 -0.213 1
1 1203 . 8 1 1 A 109 109 GLY HA2 H 109 4.136 3.869 0.267 1
1 1204 . 8 1 1 A 109 109 GLY HA3 H 109 3.530 3.877 -0.347 1
1 1205 . 8 1 1 A 109 109 GLY CA C 109 45.549 45.460 0.089 1
1 1206 . 8 1 1 A 109 109 GLY N N 109 107.333 108.954 -1.621 1
1 1207 . 8 1 1 A 110 110 GLU H H 110 7.562 7.865 -0.303 1
1 1208 . 8 1 1 A 110 110 GLU HA H 110 4.209 4.530 -0.321 1
1 1213 . 8 1 1 A 110 110 GLU CA C 110 54.320 54.704 -0.384 1
1 1214 . 8 1 1 A 110 110 GLU CB C 110 29.760 31.164 -1.404 1
1 1216 . 8 1 1 A 110 110 GLU N N 110 120.137 120.101 0.036 1
1 1217 . 8 1 1 A 111 111 GLU H H 111 8.799 8.516 0.283 1
1 1218 . 8 1 1 A 111 111 GLU HA H 111 4.194 4.666 -0.472 1
1 1223 . 8 1 1 A 111 111 GLU CA C 111 57.160 56.599 0.561 1
1 1224 . 8 1 1 A 111 111 GLU CB C 111 29.175 31.261 -2.086 1
1 1226 . 8 1 1 A 111 111 GLU N N 111 123.867 121.934 1.933 1
1 1227 . 8 1 1 A 112 112 VAL H H 112 9.093 8.894 0.199 1
1 1228 . 8 1 1 A 112 112 VAL HA H 112 4.330 4.186 0.144 1
1 1236 . 8 1 1 A 112 112 VAL CA C 112 61.529 63.651 -2.122 1
1 1237 . 8 1 1 A 112 112 VAL CB C 112 33.230 32.881 0.349 1
1 1240 . 8 1 1 A 112 112 VAL N N 112 122.642 127.336 -4.694 1
1 1241 . 8 1 1 A 113 113 ALA H H 113 7.793 7.622 0.171 1
1 1242 . 8 1 1 A 113 113 ALA HA H 113 4.770 4.704 0.066 1
1 1246 . 8 1 1 A 113 113 ALA CA C 113 52.449 51.795 0.654 1
1 1247 . 8 1 1 A 113 113 ALA CB C 113 22.400 22.667 -0.267 1
1 1248 . 8 1 1 A 113 113 ALA N N 113 121.070 118.408 2.662 1
1 1249 . 8 1 1 A 114 114 GLN H H 114 8.450 8.853 -0.403 1
1 1250 . 8 1 1 A 114 114 GLN HA H 114 5.404 5.275 0.129 1
1 1257 . 8 1 1 A 114 114 GLN CA C 114 54.830 54.643 0.187 1
1 1258 . 8 1 1 A 114 114 GLN CB C 114 32.307 33.169 -0.862 1
1 1260 . 8 1 1 A 114 114 GLN N N 114 115.851 115.629 0.222 1
1 1262 . 8 1 1 A 115 115 ARG H H 115 8.989 8.457 0.532 1
1 1263 . 8 1 1 A 115 115 ARG HA H 115 4.555 4.771 -0.216 1
1 1270 . 8 1 1 A 115 115 ARG CA C 115 56.350 55.667 0.683 1
1 1271 . 8 1 1 A 115 115 ARG CB C 115 33.730 34.318 -0.588 1
1 1274 . 8 1 1 A 115 115 ARG N N 115 122.920 120.646 2.274 1
1 1275 . 8 1 1 A 116 116 SER H H 116 8.511 8.883 -0.372 1
1 1276 . 8 1 1 A 116 116 SER HA H 116 5.756 5.064 0.692 1
1 1279 . 8 1 1 A 116 116 SER CA C 116 56.400 56.206 0.194 1
1 1280 . 8 1 1 A 116 116 SER CB C 116 65.770 65.608 0.162 1
1 1281 . 8 1 1 A 116 116 SER N N 116 119.807 118.652 1.155 1
1 1282 . 8 1 1 A 117 117 THR H H 117 8.801 8.318 0.483 1
1 1283 . 8 1 1 A 117 117 THR HA H 117 4.378 4.170 0.208 1
1 1288 . 8 1 1 A 117 117 THR CA C 117 62.160 61.229 0.931 1
1 1289 . 8 1 1 A 117 117 THR CB C 117 70.010 68.870 1.140 1
1 1291 . 8 1 1 A 117 117 THR N N 117 116.435 112.808 3.627 1
1 1292 . 8 1 1 A 118 118 VAL H H 118 8.165 8.559 -0.394 1
1 1293 . 8 1 1 A 118 118 VAL HA H 118 4.227 4.251 -0.024 1
1 1301 . 8 1 1 A 118 118 VAL CA C 118 61.320 62.212 -0.892 1
1 1302 . 8 1 1 A 118 118 VAL CB C 118 32.931 31.873 1.058 1
1 1305 . 8 1 1 A 118 118 VAL N N 118 122.111 126.646 -4.535 1
1 1306 . 8 1 1 A 119 119 PHE H H 119 8.580 8.949 -0.369 1
1 1307 . 8 1 1 A 119 119 PHE HA H 119 4.655 4.714 -0.059 1
1 1314 . 8 1 1 A 119 119 PHE CA C 119 57.520 56.460 1.060 1
1 1315 . 8 1 1 A 119 119 PHE CB C 119 39.550 36.732 2.818 1
1 1320 . 8 1 1 A 119 119 PHE N N 119 126.006 128.372 -2.366 1
1 1321 . 8 1 1 A 120 120 LYS H H 120 8.346 8.468 -0.122 1
1 1322 . 8 1 1 A 120 120 LYS HA H 120 4.432 4.256 0.176 1
1 1331 . 8 1 1 A 120 120 LYS CA C 120 55.740 58.650 -2.910 1
1 1332 . 8 1 1 A 120 120 LYS CB C 120 33.290 33.039 0.251 1
1 1336 . 8 1 1 A 120 120 LYS N N 120 124.095 123.692 0.403 1
1 1337 . 8 1 1 A 121 121 THR H H 121 8.294 8.036 0.258 1
1 1338 . 8 1 1 A 121 121 THR HA H 121 4.394 4.173 0.221 1
1 1343 . 8 1 1 A 121 121 THR CA C 121 61.610 62.413 -0.803 1
1 1344 . 8 1 1 A 121 121 THR CB C 121 69.640 67.866 1.774 1
1 1346 . 8 1 1 A 121 121 THR N N 121 116.359 112.236 4.123 1
1 1 . 9 1 1 A 3 3 HIS H H 3 8.528 7.801 0.727 1
1 2 . 9 1 1 A 3 3 HIS HA H 3 4.626 4.573 0.053 1
1 5 . 9 1 1 A 3 3 HIS CA C 3 55.260 55.503 -0.243 1
1 6 . 9 1 1 A 3 3 HIS CB C 3 29.250 28.517 0.733 1
1 7 . 9 1 1 A 3 3 HIS N N 3 118.990 118.933 0.057 1
1 8 . 9 1 1 A 4 4 HIS H H 4 8.528 7.945 0.583 1
1 9 . 9 1 1 A 4 4 HIS HA H 4 4.624 5.074 -0.450 1
1 12 . 9 1 1 A 4 4 HIS CA C 4 55.277 54.473 0.804 1
1 13 . 9 1 1 A 4 4 HIS CB C 4 29.002 30.997 -1.995 1
1 14 . 9 1 1 A 4 4 HIS N N 4 118.990 120.492 -1.502 1
1 15 . 9 1 1 A 5 5 HIS H H 5 8.579 8.481 0.098 1
1 16 . 9 1 1 A 5 5 HIS HA H 5 4.737 5.273 -0.536 1
1 19 . 9 1 1 A 5 5 HIS CA C 5 55.330 53.418 1.912 1
1 20 . 9 1 1 A 5 5 HIS CB C 5 29.257 30.584 -1.327 1
1 21 . 9 1 1 A 5 5 HIS N N 5 119.720 117.551 2.169 1
1 22 . 9 1 1 A 6 6 HIS H H 6 8.603 9.034 -0.431 1
1 23 . 9 1 1 A 6 6 HIS HA H 6 4.674 5.029 -0.355 1
1 26 . 9 1 1 A 6 6 HIS CA C 6 55.150 54.299 0.851 1
1 27 . 9 1 1 A 6 6 HIS CB C 6 27.340 31.315 -3.975 1
1 28 . 9 1 1 A 6 6 HIS N N 6 121.420 123.124 -1.704 1
1 29 . 9 1 1 A 7 7 HIS H H 7 8.706 8.785 -0.079 1
1 30 . 9 1 1 A 7 7 HIS HA H 7 4.658 4.588 0.070 1
1 33 . 9 1 1 A 7 7 HIS CA C 7 55.100 56.282 -1.182 1
1 34 . 9 1 1 A 7 7 HIS CB C 7 29.300 30.015 -0.715 1
1 35 . 9 1 1 A 7 7 HIS N N 7 121.200 123.139 -1.939 1
1 36 . 9 1 1 A 8 8 HIS H H 8 8.706 7.771 0.935 1
1 37 . 9 1 1 A 8 8 HIS HA H 8 4.706 4.633 0.073 1
1 40 . 9 1 1 A 8 8 HIS CA C 8 55.156 55.565 -0.409 1
1 41 . 9 1 1 A 8 8 HIS CB C 8 29.396 29.538 -0.142 1
1 42 . 9 1 1 A 8 8 HIS N N 8 121.200 118.586 2.614 1
1 43 . 9 1 1 A 9 9 SER H H 9 8.551 9.111 -0.560 1
1 44 . 9 1 1 A 9 9 SER HA H 9 4.450 4.817 -0.367 1
1 47 . 9 1 1 A 9 9 SER CA C 9 58.200 58.158 0.042 1
1 48 . 9 1 1 A 9 9 SER CB C 9 63.740 62.957 0.783 1
1 49 . 9 1 1 A 9 9 SER N N 9 118.046 122.170 -4.124 1
1 50 . 9 1 1 A 10 10 HIS H H 10 8.770 8.891 -0.121 1
1 51 . 9 1 1 A 10 10 HIS HA H 10 4.726 5.030 -0.304 1
1 54 . 9 1 1 A 10 10 HIS CA C 10 55.640 54.286 1.354 1
1 55 . 9 1 1 A 10 10 HIS CB C 10 29.172 30.554 -1.382 1
1 56 . 9 1 1 A 10 10 HIS N N 10 120.412 124.463 -4.051 1
1 57 . 9 1 1 A 11 11 MET H H 11 8.528 8.570 -0.042 1
1 58 . 9 1 1 A 11 11 MET HA H 11 4.658 4.981 -0.323 1
1 66 . 9 1 1 A 11 11 MET CA C 11 55.438 54.269 1.169 1
1 67 . 9 1 1 A 11 11 MET CB C 11 33.090 33.881 -0.791 1
1 70 . 9 1 1 A 11 11 MET N N 11 122.400 124.213 -1.813 1
1 71 . 9 1 1 A 12 12 THR H H 12 8.339 8.638 -0.299 1
1 72 . 9 1 1 A 12 12 THR HA H 12 4.450 4.885 -0.435 1
1 77 . 9 1 1 A 12 12 THR CA C 12 61.810 60.190 1.620 1
1 78 . 9 1 1 A 12 12 THR CB C 12 70.450 71.449 -0.999 1
1 80 . 9 1 1 A 12 12 THR N N 12 115.700 115.613 0.087 1
1 81 . 9 1 1 A 13 13 GLY H H 13 8.426 9.215 -0.789 1
1 82 . 9 1 1 A 13 13 GLY HA2 H 13 4.287 4.234 0.053 1
1 83 . 9 1 1 A 13 13 GLY HA3 H 13 3.877 4.257 -0.380 1
1 84 . 9 1 1 A 13 13 GLY CA C 13 45.243 45.979 -0.736 1
1 85 . 9 1 1 A 13 13 GLY N N 13 110.872 116.277 -5.405 1
1 86 . 9 1 1 A 14 14 ASN H H 14 8.374 8.800 -0.426 1
1 87 . 9 1 1 A 14 14 ASN HA H 14 4.720 5.109 -0.389 1
1 92 . 9 1 1 A 14 14 ASN CA C 14 54.200 53.128 1.072 1
1 93 . 9 1 1 A 14 14 ASN CB C 14 39.210 39.143 0.067 1
1 94 . 9 1 1 A 14 14 ASN N N 14 117.789 124.002 -6.213 1
1 96 . 9 1 1 A 15 15 VAL H H 15 7.890 7.363 0.527 1
1 97 . 9 1 1 A 15 15 VAL HA H 15 4.843 3.898 0.945 1
1 105 . 9 1 1 A 15 15 VAL CA C 15 61.759 62.770 -1.011 1
1 106 . 9 1 1 A 15 15 VAL CB C 15 33.230 30.825 2.405 1
1 109 . 9 1 1 A 15 15 VAL N N 15 118.720 120.949 -2.229 1
1 110 . 9 1 1 A 16 16 CYS H H 16 9.060 8.834 0.226 1
1 111 . 9 1 1 A 16 16 CYS HA H 16 4.899 5.037 -0.138 1
1 114 . 9 1 1 A 16 16 CYS CA C 16 54.620 56.433 -1.813 1
1 115 . 9 1 1 A 16 16 CYS CB C 16 30.900 31.809 -0.909 1
1 116 . 9 1 1 A 16 16 CYS N N 16 122.674 124.260 -1.586 1
1 117 . 9 1 1 A 17 17 ILE H H 17 8.845 8.789 0.056 1
1 118 . 9 1 1 A 17 17 ILE HA H 17 4.153 4.210 -0.057 1
1 128 . 9 1 1 A 17 17 ILE CA C 17 61.080 61.209 -0.129 1
1 129 . 9 1 1 A 17 17 ILE CB C 17 36.397 37.624 -1.227 1
1 133 . 9 1 1 A 17 17 ILE N N 17 122.609 121.431 1.178 1
1 134 . 9 1 1 A 18 18 GLU H H 18 8.917 8.902 0.015 1
1 135 . 9 1 1 A 18 18 GLU HA H 18 4.230 4.242 -0.012 1
1 140 . 9 1 1 A 18 18 GLU CA C 18 57.160 58.363 -1.203 1
1 141 . 9 1 1 A 18 18 GLU CB C 18 30.550 30.653 -0.103 1
1 143 . 9 1 1 A 18 18 GLU N N 18 130.894 129.194 1.700 1
1 144 . 9 1 1 A 19 19 GLU H H 19 7.853 7.837 0.016 1
1 145 . 9 1 1 A 19 19 GLU HA H 19 4.470 4.662 -0.192 1
1 150 . 9 1 1 A 19 19 GLU CA C 19 56.110 56.125 -0.015 1
1 151 . 9 1 1 A 19 19 GLU CB C 19 33.847 33.503 0.344 1
1 153 . 9 1 1 A 19 19 GLU N N 19 115.069 117.967 -2.898 1
1 154 . 9 1 1 A 20 20 ILE H H 20 8.744 8.962 -0.218 1
1 155 . 9 1 1 A 20 20 ILE HA H 20 4.080 4.573 -0.493 1
1 165 . 9 1 1 A 20 20 ILE CA C 20 60.619 59.910 0.709 1
1 166 . 9 1 1 A 20 20 ILE CB C 20 39.170 39.100 0.070 1
1 170 . 9 1 1 A 20 20 ILE N N 20 127.309 127.907 -0.598 1
1 171 . 9 1 1 A 21 21 ASP H H 21 7.468 8.163 -0.695 1
1 172 . 9 1 1 A 21 21 ASP HA H 21 3.949 4.451 -0.502 1
1 175 . 9 1 1 A 21 21 ASP CA C 21 54.970 54.085 0.885 1
1 176 . 9 1 1 A 21 21 ASP CB C 21 42.170 41.393 0.777 1
1 177 . 9 1 1 A 21 21 ASP N N 21 124.858 127.294 -2.436 1
1 178 . 9 1 1 A 22 22 VAL H H 22 8.650 8.672 -0.022 1
1 179 . 9 1 1 A 22 22 VAL HA H 22 3.998 3.955 0.043 1
1 187 . 9 1 1 A 22 22 VAL CA C 22 64.445 64.593 -0.148 1
1 188 . 9 1 1 A 22 22 VAL CB C 22 31.244 31.937 -0.693 1
1 191 . 9 1 1 A 22 22 VAL N N 22 130.172 127.251 2.921 1
1 192 . 9 1 1 A 23 23 ASP H H 23 7.482 7.706 -0.224 1
1 193 . 9 1 1 A 23 23 ASP HA H 23 4.711 4.523 0.188 1
1 196 . 9 1 1 A 23 23 ASP CA C 23 53.920 54.549 -0.629 1
1 197 . 9 1 1 A 23 23 ASP CB C 23 40.100 41.169 -1.069 1
1 198 . 9 1 1 A 23 23 ASP N N 23 118.547 119.726 -1.179 1
1 199 . 9 1 1 A 24 24 GLY H H 24 7.220 7.369 -0.149 1
1 200 . 9 1 1 A 24 24 GLY HA2 H 24 2.950 2.687 0.263 1
1 201 . 9 1 1 A 24 24 GLY HA3 H 24 2.407 3.011 -0.604 1
1 202 . 9 1 1 A 24 24 GLY CA C 24 45.040 44.456 0.584 1
1 203 . 9 1 1 A 24 24 GLY N N 24 105.293 106.594 -1.301 1
1 204 . 9 1 1 A 25 25 LYS H H 25 8.757 7.912 0.845 1
1 205 . 9 1 1 A 25 25 LYS HA H 25 3.964 4.471 -0.507 1
1 214 . 9 1 1 A 25 25 LYS CA C 25 56.590 56.966 -0.376 1
1 215 . 9 1 1 A 25 25 LYS CB C 25 33.660 33.955 -0.295 1
1 219 . 9 1 1 A 25 25 LYS N N 25 111.753 117.558 -5.805 1
1 220 . 9 1 1 A 26 26 PHE H H 26 6.380 7.378 -0.998 1
1 221 . 9 1 1 A 26 26 PHE HA H 26 5.753 5.231 0.522 1
1 229 . 9 1 1 A 26 26 PHE CA C 26 56.370 56.370 0.000 1
1 230 . 9 1 1 A 26 26 PHE CB C 26 40.030 40.739 -0.709 1
1 236 . 9 1 1 A 26 26 PHE N N 26 110.097 114.286 -4.189 1
1 237 . 9 1 1 A 27 27 ILE H H 27 8.601 8.955 -0.354 1
1 238 . 9 1 1 A 27 27 ILE HA H 27 4.506 4.662 -0.156 1
1 248 . 9 1 1 A 27 27 ILE CA C 27 60.905 60.321 0.584 1
1 249 . 9 1 1 A 27 27 ILE CB C 27 43.249 39.789 3.460 1
1 253 . 9 1 1 A 27 27 ILE N N 27 119.676 120.415 -0.739 1
1 254 . 9 1 1 A 28 28 ARG H H 28 9.290 9.172 0.118 1
1 255 . 9 1 1 A 28 28 ARG HA H 28 5.561 4.891 0.670 1
1 262 . 9 1 1 A 28 28 ARG CA C 28 54.650 55.271 -0.621 1
1 263 . 9 1 1 A 28 28 ARG CB C 28 34.180 31.915 2.265 1
1 266 . 9 1 1 A 28 28 ARG N N 28 127.516 129.367 -1.851 1
1 267 . 9 1 1 A 29 29 LEU H H 29 9.502 9.289 0.213 1
1 268 . 9 1 1 A 29 29 LEU HA H 29 5.306 4.825 0.481 1
1 278 . 9 1 1 A 29 29 LEU CA C 29 54.010 53.510 0.500 1
1 279 . 9 1 1 A 29 29 LEU CB C 29 44.020 42.895 1.125 1
1 283 . 9 1 1 A 29 29 LEU N N 29 126.696 128.176 -1.480 1
1 284 . 9 1 1 A 30 30 LYS H H 30 8.641 8.846 -0.205 1
1 285 . 9 1 1 A 30 30 LYS HA H 30 5.108 4.717 0.391 1
1 294 . 9 1 1 A 30 30 LYS CA C 30 54.660 55.897 -1.237 1
1 295 . 9 1 1 A 30 30 LYS CB C 30 38.070 36.253 1.817 1
1 299 . 9 1 1 A 30 30 LYS N N 30 118.761 120.609 -1.848 1
1 300 . 9 1 1 A 31 31 ASN H H 31 8.397 9.004 -0.607 1
1 301 . 9 1 1 A 31 31 ASN HA H 31 5.319 5.049 0.270 1
1 306 . 9 1 1 A 31 31 ASN CA C 31 50.690 51.845 -1.155 1
1 307 . 9 1 1 A 31 31 ASN CB C 31 37.490 39.434 -1.944 1
1 308 . 9 1 1 A 31 31 ASN N N 31 123.996 125.088 -1.092 1
1 310 . 9 1 1 A 32 32 THR H H 32 8.455 8.565 -0.110 1
1 311 . 9 1 1 A 32 32 THR HA H 32 4.302 4.953 -0.651 1
1 316 . 9 1 1 A 32 32 THR CA C 32 61.492 60.475 1.017 1
1 317 . 9 1 1 A 32 32 THR CB C 32 68.110 69.954 -1.844 1
1 319 . 9 1 1 A 32 32 THR N N 32 115.755 122.424 -6.669 1
1 320 . 9 1 1 A 33 33 SER H H 33 8.487 8.480 0.007 1
1 321 . 9 1 1 A 33 33 SER HA H 33 4.793 4.689 0.104 1
1 324 . 9 1 1 A 33 33 SER CA C 33 57.500 57.269 0.231 1
1 325 . 9 1 1 A 33 33 SER CB C 33 66.510 65.788 0.722 1
1 326 . 9 1 1 A 33 33 SER N N 33 120.037 121.069 -1.032 1
1 327 . 9 1 1 A 34 34 GLU H H 34 8.355 8.540 -0.185 1
1 328 . 9 1 1 A 34 34 GLU HA H 34 4.335 4.573 -0.238 1
1 333 . 9 1 1 A 34 34 GLU CA C 34 55.840 56.540 -0.700 1
1 334 . 9 1 1 A 34 34 GLU CB C 34 28.930 30.322 -1.392 1
1 336 . 9 1 1 A 34 34 GLU N N 34 116.545 117.367 -0.822 1
1 337 . 9 1 1 A 35 35 GLN H H 35 8.634 7.494 1.140 1
1 338 . 9 1 1 A 35 35 GLN HA H 35 4.664 4.932 -0.268 1
1 345 . 9 1 1 A 35 35 GLN CA C 35 53.740 54.406 -0.666 1
1 346 . 9 1 1 A 35 35 GLN CB C 35 31.696 32.242 -0.546 1
1 348 . 9 1 1 A 35 35 GLN N N 35 120.013 121.134 -1.121 1
1 350 . 9 1 1 A 36 36 ASP H H 36 8.859 8.766 0.093 1
1 351 . 9 1 1 A 36 36 ASP HA H 36 4.050 4.671 -0.621 1
1 354 . 9 1 1 A 36 36 ASP CA C 36 54.640 54.416 0.224 1
1 355 . 9 1 1 A 36 36 ASP CB C 36 40.120 41.359 -1.239 1
1 356 . 9 1 1 A 36 36 ASP N N 36 124.552 125.533 -0.981 1
1 357 . 9 1 1 A 37 37 GLN H H 37 8.141 8.899 -0.758 1
1 358 . 9 1 1 A 37 37 GLN HA H 37 4.786 4.740 0.046 1
1 365 . 9 1 1 A 37 37 GLN CA C 37 50.858 52.450 -1.592 1
1 366 . 9 1 1 A 37 37 GLN CB C 37 31.860 29.168 2.692 1
1 368 . 9 1 1 A 37 37 GLN N N 37 120.015 122.733 -2.718 1
1 370 . 9 1 1 A 38 38 PRO HA H 38 4.367 4.421 -0.054 1
1 377 . 9 1 1 A 38 38 PRO CA C 38 63.330 63.479 -0.149 1
1 378 . 9 1 1 A 38 38 PRO CB C 38 31.750 32.448 -0.698 1
1 381 . 9 1 1 A 39 39 MET H H 39 8.392 8.178 0.214 1
1 382 . 9 1 1 A 39 39 MET HA H 39 2.792 4.176 -1.384 1
1 390 . 9 1 1 A 39 39 MET CA C 39 53.780 57.004 -3.224 1
1 391 . 9 1 1 A 39 39 MET CB C 39 34.410 32.730 1.680 1
1 394 . 9 1 1 A 39 39 MET N N 39 124.427 118.952 5.475 1
1 395 . 9 1 1 A 40 40 GLY H H 40 7.940 8.703 -0.763 1
1 396 . 9 1 1 A 40 40 GLY HA2 H 40 4.154 3.968 0.186 1
1 397 . 9 1 1 A 40 40 GLY HA3 H 40 3.763 3.993 -0.230 1
1 398 . 9 1 1 A 40 40 GLY CA C 40 48.114 47.077 1.037 1
1 399 . 9 1 1 A 40 40 GLY N N 40 108.664 107.327 1.337 1
1 400 . 9 1 1 A 41 41 GLY H H 41 7.959 7.970 -0.011 1
1 401 . 9 1 1 A 41 41 GLY HA2 H 41 4.323 4.163 0.160 1
1 402 . 9 1 1 A 41 41 GLY HA3 H 41 3.769 4.233 -0.464 1
1 403 . 9 1 1 A 41 41 GLY CA C 41 46.020 45.574 0.446 1
1 404 . 9 1 1 A 41 41 GLY N N 41 114.027 106.019 8.008 1
1 405 . 9 1 1 A 42 42 TRP H H 42 8.667 9.358 -0.691 1
1 406 . 9 1 1 A 42 42 TRP HA H 42 4.408 5.437 -1.029 1
1 415 . 9 1 1 A 42 42 TRP CA C 42 58.925 56.313 2.612 1
1 416 . 9 1 1 A 42 42 TRP CB C 42 28.120 33.620 -5.500 1
1 422 . 9 1 1 A 42 42 TRP N N 42 122.097 126.975 -4.878 1
1 424 . 9 1 1 A 43 43 GLU H H 43 8.740 9.361 -0.621 1
1 425 . 9 1 1 A 43 43 GLU HA H 43 5.462 5.240 0.222 1
1 430 . 9 1 1 A 43 43 GLU CA C 43 54.410 55.323 -0.913 1
1 431 . 9 1 1 A 43 43 GLU CB C 43 33.980 33.518 0.462 1
1 433 . 9 1 1 A 43 43 GLU N N 43 120.300 121.421 -1.121 1
1 434 . 9 1 1 A 44 44 MET H H 44 9.658 9.301 0.357 1
1 435 . 9 1 1 A 44 44 MET HA H 44 5.488 5.164 0.324 1
1 443 . 9 1 1 A 44 44 MET CA C 44 53.360 53.935 -0.575 1
1 444 . 9 1 1 A 44 44 MET CB C 44 37.490 34.103 3.387 1
1 447 . 9 1 1 A 44 44 MET N N 44 126.477 126.421 0.056 1
1 448 . 9 1 1 A 45 45 ILE H H 45 9.658 9.376 0.282 1
1 449 . 9 1 1 A 45 45 ILE HA H 45 4.781 4.664 0.117 1
1 459 . 9 1 1 A 45 45 ILE CA C 45 60.413 60.638 -0.225 1
1 460 . 9 1 1 A 45 45 ILE CB C 45 40.804 37.620 3.184 1
1 464 . 9 1 1 A 45 45 ILE N N 45 127.329 127.038 0.291 1
1 465 . 9 1 1 A 46 46 ARG H H 46 9.217 9.112 0.105 1
1 466 . 9 1 1 A 46 46 ARG HA H 46 5.083 4.623 0.460 1
1 474 . 9 1 1 A 46 46 ARG CA C 46 53.760 55.686 -1.926 1
1 475 . 9 1 1 A 46 46 ARG CB C 46 33.559 30.955 2.604 1
1 478 . 9 1 1 A 46 46 ARG N N 46 126.837 128.660 -1.823 1
1 480 . 9 1 1 A 47 47 LYS H H 47 9.876 9.082 0.794 1
1 481 . 9 1 1 A 47 47 LYS HA H 47 5.257 4.809 0.448 1
1 490 . 9 1 1 A 47 47 LYS CA C 47 55.260 55.740 -0.480 1
1 491 . 9 1 1 A 47 47 LYS CB C 47 34.860 33.243 1.617 1
1 495 . 9 1 1 A 47 47 LYS N N 47 132.271 127.389 4.882 1
1 496 . 9 1 1 A 48 48 ILE H H 48 7.909 8.519 -0.610 1
1 497 . 9 1 1 A 48 48 ILE HA H 48 4.360 4.523 -0.163 1
1 507 . 9 1 1 A 48 48 ILE CA C 48 61.132 60.014 1.118 1
1 508 . 9 1 1 A 48 48 ILE CB C 48 40.316 40.511 -0.195 1
1 512 . 9 1 1 A 48 48 ILE N N 48 125.793 124.367 1.426 1
1 513 . 9 1 1 A 49 49 GLY H H 49 9.576 8.985 0.591 1
1 514 . 9 1 1 A 49 49 GLY HA2 H 49 4.021 3.824 0.197 1
1 515 . 9 1 1 A 49 49 GLY HA3 H 49 3.730 3.829 -0.099 1
1 516 . 9 1 1 A 49 49 GLY CA C 49 46.910 47.357 -0.447 1
1 517 . 9 1 1 A 49 49 GLY N N 49 120.665 118.988 1.677 1
1 518 . 9 1 1 A 50 50 ASP H H 50 8.935 8.604 0.331 1
1 519 . 9 1 1 A 50 50 ASP HA H 50 4.777 4.744 0.033 1
1 522 . 9 1 1 A 50 50 ASP CA C 50 54.000 53.865 0.135 1
1 523 . 9 1 1 A 50 50 ASP CB C 50 40.520 41.677 -1.157 1
1 524 . 9 1 1 A 50 50 ASP N N 50 126.343 126.260 0.083 1
1 525 . 9 1 1 A 51 51 THR H H 51 8.253 7.373 0.880 1
1 526 . 9 1 1 A 51 51 THR HA H 51 4.638 4.587 0.051 1
1 531 . 9 1 1 A 51 51 THR CA C 51 61.690 60.745 0.945 1
1 532 . 9 1 1 A 51 51 THR CB C 51 71.080 70.183 0.897 1
1 534 . 9 1 1 A 51 51 THR N N 51 115.167 114.449 0.718 1
1 535 . 9 1 1 A 52 52 SER H H 52 8.710 8.579 0.131 1
1 536 . 9 1 1 A 52 52 SER HA H 52 5.318 5.688 -0.370 1
1 539 . 9 1 1 A 52 52 SER CA C 52 57.290 57.818 -0.528 1
1 540 . 9 1 1 A 52 52 SER CB C 52 64.730 65.536 -0.806 1
1 541 . 9 1 1 A 52 52 SER N N 52 121.442 118.698 2.744 1
1 542 . 9 1 1 A 53 53 VAL H H 53 8.448 9.021 -0.573 1
1 543 . 9 1 1 A 53 53 VAL HA H 53 4.650 5.119 -0.469 1
1 551 . 9 1 1 A 53 53 VAL CA C 53 60.449 59.657 0.792 1
1 552 . 9 1 1 A 53 53 VAL CB C 53 35.105 34.422 0.683 1
1 555 . 9 1 1 A 53 53 VAL N N 53 121.387 126.541 -5.154 1
1 556 . 9 1 1 A 54 54 SER H H 54 8.761 9.137 -0.376 1
1 557 . 9 1 1 A 54 54 SER HA H 54 5.760 5.485 0.275 1
1 560 . 9 1 1 A 54 54 SER CA C 54 57.180 57.743 -0.563 1
1 561 . 9 1 1 A 54 54 SER CB C 54 65.910 64.594 1.316 1
1 562 . 9 1 1 A 54 54 SER N N 54 118.025 124.890 -6.865 1
1 563 . 9 1 1 A 55 55 TYR H H 55 9.340 9.177 0.163 1
1 564 . 9 1 1 A 55 55 TYR HA H 55 4.175 5.318 -1.143 1
1 571 . 9 1 1 A 55 55 TYR CA C 55 57.100 56.438 0.662 1
1 572 . 9 1 1 A 55 55 TYR CB C 55 39.870 40.859 -0.989 1
1 577 . 9 1 1 A 55 55 TYR N N 55 128.024 127.762 0.262 1
1 578 . 9 1 1 A 56 56 LYS H H 56 7.551 8.344 -0.793 1
1 579 . 9 1 1 A 56 56 LYS HA H 56 4.890 4.624 0.266 1
1 588 . 9 1 1 A 56 56 LYS CA C 56 54.117 56.044 -1.927 1
1 589 . 9 1 1 A 56 56 LYS CB C 56 33.610 32.960 0.650 1
1 593 . 9 1 1 A 56 56 LYS N N 56 127.706 129.234 -1.528 1
1 594 . 9 1 1 A 57 57 TYR H H 57 8.247 8.657 -0.410 1
1 595 . 9 1 1 A 57 57 TYR HA H 57 3.996 4.320 -0.324 1
1 602 . 9 1 1 A 57 57 TYR CA C 57 59.032 59.199 -0.167 1
1 603 . 9 1 1 A 57 57 TYR CB C 57 39.390 39.285 0.105 1
1 608 . 9 1 1 A 57 57 TYR N N 57 124.225 126.530 -2.305 1
1 609 . 9 1 1 A 58 58 THR H H 58 8.722 8.703 0.019 1
1 610 . 9 1 1 A 58 58 THR HA H 58 4.259 4.814 -0.555 1
1 615 . 9 1 1 A 58 58 THR CA C 58 62.250 60.544 1.706 1
1 616 . 9 1 1 A 58 58 THR CB C 58 69.280 70.215 -0.935 1
1 618 . 9 1 1 A 58 58 THR N N 58 116.096 118.423 -2.327 1
1 619 . 9 1 1 A 59 59 SER H H 59 8.402 8.685 -0.283 1
1 620 . 9 1 1 A 59 59 SER HA H 59 4.050 4.419 -0.369 1
1 623 . 9 1 1 A 59 59 SER CA C 59 61.680 57.062 4.618 1
1 624 . 9 1 1 A 59 59 SER CB C 59 63.210 61.615 1.595 1
1 625 . 9 1 1 A 59 59 SER N N 59 114.556 124.871 -10.315 1
1 626 . 9 1 1 A 60 60 ARG H H 60 8.176 8.413 -0.237 1
1 627 . 9 1 1 A 60 60 ARG HA H 60 4.489 4.369 0.120 1
1 634 . 9 1 1 A 60 60 ARG CA C 60 54.960 57.262 -2.302 1
1 635 . 9 1 1 A 60 60 ARG CB C 60 29.846 31.028 -1.182 1
1 638 . 9 1 1 A 60 60 ARG N N 60 118.244 123.963 -5.719 1
1 639 . 9 1 1 A 61 61 TYR H H 61 7.617 7.562 0.055 1
1 640 . 9 1 1 A 61 61 TYR HA H 61 3.897 5.039 -1.142 1
1 647 . 9 1 1 A 61 61 TYR CA C 61 61.930 56.249 5.681 1
1 648 . 9 1 1 A 61 61 TYR CB C 61 38.670 40.156 -1.486 1
1 653 . 9 1 1 A 61 61 TYR N N 61 122.301 116.304 5.997 1
1 654 . 9 1 1 A 62 62 VAL H H 62 7.363 8.853 -1.490 1
1 655 . 9 1 1 A 62 62 VAL HA H 62 3.893 4.262 -0.369 1
1 663 . 9 1 1 A 62 62 VAL CA C 62 60.590 62.260 -1.670 1
1 664 . 9 1 1 A 62 62 VAL CB C 62 35.270 32.621 2.649 1
1 667 . 9 1 1 A 62 62 VAL N N 62 129.952 120.377 9.575 1
1 668 . 9 1 1 A 63 63 LEU H H 63 7.852 8.348 -0.496 1
1 669 . 9 1 1 A 63 63 LEU HA H 63 4.558 4.527 0.031 1
1 679 . 9 1 1 A 63 63 LEU CA C 63 51.980 54.424 -2.444 1
1 680 . 9 1 1 A 63 63 LEU CB C 63 42.600 41.193 1.407 1
1 684 . 9 1 1 A 63 63 LEU N N 63 128.635 130.348 -1.713 1
1 685 . 9 1 1 A 64 64 LYS H H 64 8.770 8.154 0.616 1
1 686 . 9 1 1 A 64 64 LYS HA H 64 3.722 4.290 -0.568 1
1 695 . 9 1 1 A 64 64 LYS CA C 64 57.360 56.410 0.950 1
1 696 . 9 1 1 A 64 64 LYS CB C 64 32.381 33.250 -0.869 1
1 700 . 9 1 1 A 64 64 LYS N N 64 130.633 126.849 3.784 1
1 701 . 9 1 1 A 65 65 ALA H H 65 8.628 8.498 0.130 1
1 702 . 9 1 1 A 65 65 ALA HA H 65 3.557 3.947 -0.390 1
1 706 . 9 1 1 A 65 65 ALA CA C 65 53.700 53.911 -0.211 1
1 707 . 9 1 1 A 65 65 ALA CB C 65 18.660 18.246 0.414 1
1 708 . 9 1 1 A 65 65 ALA N N 65 123.214 125.472 -2.258 1
1 709 . 9 1 1 A 66 66 GLY H H 66 7.505 9.095 -1.590 1
1 710 . 9 1 1 A 66 66 GLY HA2 H 66 4.020 4.000 0.020 1
1 711 . 9 1 1 A 66 66 GLY HA3 H 66 4.020 4.005 0.015 1
1 712 . 9 1 1 A 66 66 GLY CA C 66 46.864 45.129 1.735 1
1 713 . 9 1 1 A 66 66 GLY N N 66 112.913 111.202 1.711 1
1 714 . 9 1 1 A 67 67 GLN H H 67 8.136 7.691 0.445 1
1 715 . 9 1 1 A 67 67 GLN HA H 67 4.436 4.419 0.017 1
1 722 . 9 1 1 A 67 67 GLN CA C 67 55.029 55.670 -0.641 1
1 723 . 9 1 1 A 67 67 GLN CB C 67 29.700 30.032 -0.332 1
1 725 . 9 1 1 A 67 67 GLN N N 67 118.759 121.490 -2.731 1
1 727 . 9 1 1 A 68 68 THR H H 68 8.066 8.553 -0.487 1
1 728 . 9 1 1 A 68 68 THR HA H 68 5.414 5.031 0.383 1
1 733 . 9 1 1 A 68 68 THR CA C 68 60.050 60.873 -0.823 1
1 734 . 9 1 1 A 68 68 THR CB C 68 72.052 70.323 1.729 1
1 736 . 9 1 1 A 68 68 THR N N 68 111.842 116.924 -5.082 1
1 737 . 9 1 1 A 69 69 VAL H H 69 8.780 8.837 -0.057 1
1 738 . 9 1 1 A 69 69 VAL HA H 69 4.989 4.260 0.729 1
1 746 . 9 1 1 A 69 69 VAL CA C 69 59.265 62.976 -3.711 1
1 747 . 9 1 1 A 69 69 VAL CB C 69 33.600 32.309 1.291 1
1 750 . 9 1 1 A 69 69 VAL N N 69 120.958 127.424 -6.466 1
1 751 . 9 1 1 A 70 70 THR H H 70 8.660 8.976 -0.316 1
1 752 . 9 1 1 A 70 70 THR HA H 70 4.618 4.730 -0.112 1
1 757 . 9 1 1 A 70 70 THR CA C 70 61.730 61.899 -0.169 1
1 758 . 9 1 1 A 70 70 THR CB C 70 69.550 69.293 0.257 1
1 760 . 9 1 1 A 70 70 THR N N 70 125.533 125.128 0.405 1
1 761 . 9 1 1 A 71 71 ILE H H 71 8.994 9.278 -0.284 1
1 762 . 9 1 1 A 71 71 ILE HA H 71 4.369 4.768 -0.399 1
1 772 . 9 1 1 A 71 71 ILE CA C 71 59.162 60.645 -1.483 1
1 773 . 9 1 1 A 71 71 ILE CB C 71 36.826 37.359 -0.533 1
1 777 . 9 1 1 A 71 71 ILE N N 71 127.838 128.025 -0.187 1
1 778 . 9 1 1 A 72 72 TRP H H 72 9.270 8.965 0.305 1
1 779 . 9 1 1 A 72 72 TRP HA H 72 5.167 5.067 0.100 1
1 788 . 9 1 1 A 72 72 TRP CA C 72 56.180 57.056 -0.876 1
1 789 . 9 1 1 A 72 72 TRP CB C 72 31.490 30.015 1.475 1
1 795 . 9 1 1 A 72 72 TRP N N 72 127.112 129.660 -2.548 1
1 797 . 9 1 1 A 73 73 ALA H H 73 9.010 8.599 0.411 1
1 798 . 9 1 1 A 73 73 ALA HA H 73 4.617 4.876 -0.259 1
1 802 . 9 1 1 A 73 73 ALA CA C 73 52.110 51.404 0.706 1
1 803 . 9 1 1 A 73 73 ALA CB C 73 19.070 17.584 1.486 1
1 804 . 9 1 1 A 73 73 ALA N N 73 122.140 128.641 -6.501 1
1 805 . 9 1 1 A 74 74 ALA H H 74 9.002 8.852 0.150 1
1 806 . 9 1 1 A 74 74 ALA HA H 74 4.042 3.905 0.137 1
1 810 . 9 1 1 A 74 74 ALA CA C 74 54.650 54.983 -0.333 1
1 811 . 9 1 1 A 74 74 ALA CB C 74 18.070 17.927 0.143 1
1 812 . 9 1 1 A 74 74 ALA N N 74 123.213 120.821 2.392 1
1 813 . 9 1 1 A 75 75 ASN H H 75 8.162 8.888 -0.726 1
1 814 . 9 1 1 A 75 75 ASN HA H 75 5.015 4.949 0.066 1
1 819 . 9 1 1 A 75 75 ASN CA C 75 51.650 52.819 -1.169 1
1 820 . 9 1 1 A 75 75 ASN CB C 75 36.590 37.897 -1.307 1
1 821 . 9 1 1 A 75 75 ASN N N 75 112.259 117.037 -4.778 1
1 823 . 9 1 1 A 76 76 ALA H H 76 7.605 8.577 -0.972 1
1 824 . 9 1 1 A 76 76 ALA HA H 76 4.281 4.503 -0.222 1
1 828 . 9 1 1 A 76 76 ALA CA C 76 53.203 51.360 1.843 1
1 829 . 9 1 1 A 76 76 ALA CB C 76 20.210 20.758 -0.548 1
1 830 . 9 1 1 A 76 76 ALA N N 76 120.777 125.708 -4.931 1
1 831 . 9 1 1 A 77 77 GLY H H 77 8.449 8.215 0.234 1
1 832 . 9 1 1 A 77 77 GLY HA2 H 77 3.960 3.852 0.108 1
1 833 . 9 1 1 A 77 77 GLY HA3 H 77 3.537 3.887 -0.350 1
1 834 . 9 1 1 A 77 77 GLY CA C 77 45.410 45.343 0.067 1
1 835 . 9 1 1 A 77 77 GLY N N 77 107.064 108.107 -1.043 1
1 836 . 9 1 1 A 78 78 VAL H H 78 7.286 7.191 0.095 1
1 837 . 9 1 1 A 78 78 VAL HA H 78 3.804 3.752 0.052 1
1 845 . 9 1 1 A 78 78 VAL CA C 78 60.736 62.200 -1.464 1
1 846 . 9 1 1 A 78 78 VAL CB C 78 33.590 31.686 1.904 1
1 849 . 9 1 1 A 78 78 VAL N N 78 120.566 120.272 0.294 1
1 850 . 9 1 1 A 79 79 THR H H 79 8.148 8.168 -0.020 1
1 851 . 9 1 1 A 79 79 THR HA H 79 4.145 4.397 -0.252 1
1 856 . 9 1 1 A 79 79 THR CA C 79 61.395 62.161 -0.766 1
1 857 . 9 1 1 A 79 79 THR CB C 79 69.620 69.357 0.263 1
1 859 . 9 1 1 A 79 79 THR N N 79 121.617 119.849 1.768 1
1 860 . 9 1 1 A 80 80 ALA H H 80 8.593 8.358 0.235 1
1 861 . 9 1 1 A 80 80 ALA HA H 80 3.703 4.369 -0.666 1
1 865 . 9 1 1 A 80 80 ALA CA C 80 53.410 50.987 2.423 1
1 866 . 9 1 1 A 80 80 ALA CB C 80 19.180 17.215 1.965 1
1 867 . 9 1 1 A 80 80 ALA N N 80 126.311 127.761 -1.450 1
1 868 . 9 1 1 A 81 81 SER H H 81 9.101 8.810 0.291 1
1 869 . 9 1 1 A 81 81 SER HA H 81 4.747 4.311 0.436 1
1 872 . 9 1 1 A 81 81 SER CA C 81 55.046 58.906 -3.860 1
1 873 . 9 1 1 A 81 81 SER CB C 81 62.680 62.118 0.562 1
1 874 . 9 1 1 A 81 81 SER N N 81 114.816 113.240 1.576 1
1 875 . 9 1 1 A 82 82 PRO HA H 82 4.328 4.399 -0.071 1
1 882 . 9 1 1 A 82 82 PRO CA C 82 62.158 62.575 -0.417 1
1 883 . 9 1 1 A 82 82 PRO CB C 82 30.480 32.667 -2.187 1
1 886 . 9 1 1 A 83 83 PRO HA H 83 4.821 3.643 1.178 1
1 893 . 9 1 1 A 83 83 PRO CA C 83 64.384 63.574 0.810 1
1 894 . 9 1 1 A 83 83 PRO CB C 83 34.750 29.922 4.828 1
1 897 . 9 1 1 A 84 84 THR H H 84 8.007 7.392 0.615 1
1 898 . 9 1 1 A 84 84 THR HA H 84 4.567 4.234 0.333 1
1 903 . 9 1 1 A 84 84 THR CA C 84 64.770 62.680 2.090 1
1 904 . 9 1 1 A 84 84 THR CB C 84 69.370 70.553 -1.183 1
1 906 . 9 1 1 A 84 84 THR N N 84 114.629 114.298 0.331 1
1 907 . 9 1 1 A 85 85 ASP H H 85 7.952 8.063 -0.111 1
1 908 . 9 1 1 A 85 85 ASP HA H 85 5.950 5.214 0.736 1
1 911 . 9 1 1 A 85 85 ASP CA C 85 54.110 53.127 0.983 1
1 912 . 9 1 1 A 85 85 ASP CB C 85 43.510 43.594 -0.084 1
1 913 . 9 1 1 A 85 85 ASP N N 85 124.539 121.747 2.792 1
1 914 . 9 1 1 A 86 86 LEU H H 86 9.271 8.840 0.431 1
1 915 . 9 1 1 A 86 86 LEU HA H 86 4.953 5.125 -0.172 1
1 925 . 9 1 1 A 86 86 LEU CA C 86 52.230 53.706 -1.476 1
1 926 . 9 1 1 A 86 86 LEU CB C 86 44.070 46.428 -2.358 1
1 930 . 9 1 1 A 86 86 LEU N N 86 124.265 119.805 4.460 1
1 931 . 9 1 1 A 87 87 ILE H H 87 8.691 8.593 0.098 1
1 932 . 9 1 1 A 87 87 ILE HA H 87 4.802 4.914 -0.112 1
1 942 . 9 1 1 A 87 87 ILE CA C 87 58.694 60.766 -2.072 1
1 943 . 9 1 1 A 87 87 ILE CB C 87 37.945 38.678 -0.733 1
1 947 . 9 1 1 A 87 87 ILE N N 87 119.475 123.070 -3.595 1
1 948 . 9 1 1 A 88 88 TRP H H 88 9.755 9.455 0.300 1
1 949 . 9 1 1 A 88 88 TRP HA H 88 4.918 4.629 0.289 1
1 958 . 9 1 1 A 88 88 TRP CA C 88 54.900 55.858 -0.958 1
1 959 . 9 1 1 A 88 88 TRP CB C 88 27.270 29.933 -2.663 1
1 965 . 9 1 1 A 88 88 TRP N N 88 132.610 129.940 2.670 1
1 967 . 9 1 1 A 89 89 LYS H H 89 8.282 8.628 -0.346 1
1 968 . 9 1 1 A 89 89 LYS HA H 89 3.996 4.271 -0.275 1
1 977 . 9 1 1 A 89 89 LYS CA C 89 58.847 56.454 2.393 1
1 978 . 9 1 1 A 89 89 LYS CB C 89 32.360 32.181 0.179 1
1 982 . 9 1 1 A 89 89 LYS N N 89 125.513 127.325 -1.812 1
1 983 . 9 1 1 A 90 90 ASN H H 90 8.810 7.188 1.622 1
1 984 . 9 1 1 A 90 90 ASN HA H 90 4.434 4.401 0.033 1
1 989 . 9 1 1 A 90 90 ASN CA C 90 54.010 54.822 -0.812 1
1 990 . 9 1 1 A 90 90 ASN CB C 90 37.770 39.040 -1.270 1
1 991 . 9 1 1 A 90 90 ASN N N 90 114.946 114.943 0.003 1
1 993 . 9 1 1 A 91 91 GLN H H 91 7.546 6.441 1.105 1
1 994 . 9 1 1 A 91 91 GLN HA H 91 4.412 4.525 -0.113 1
1 1001 . 9 1 1 A 91 91 GLN CA C 91 53.520 54.389 -0.869 1
1 1002 . 9 1 1 A 91 91 GLN CB C 91 28.470 31.882 -3.412 1
1 1004 . 9 1 1 A 91 91 GLN N N 91 117.746 115.008 2.738 1
1 1006 . 9 1 1 A 92 92 ASN H H 92 8.451 8.571 -0.120 1
1 1007 . 9 1 1 A 92 92 ASN HA H 92 4.876 5.099 -0.223 1
1 1012 . 9 1 1 A 92 92 ASN CA C 92 52.080 52.323 -0.243 1
1 1013 . 9 1 1 A 92 92 ASN CB C 92 39.400 40.021 -0.621 1
1 1014 . 9 1 1 A 92 92 ASN N N 92 123.697 121.964 1.733 1
1 1016 . 9 1 1 A 93 93 SER H H 93 9.337 8.366 0.971 1
1 1017 . 9 1 1 A 93 93 SER HA H 93 3.977 4.565 -0.588 1
1 1020 . 9 1 1 A 93 93 SER CA C 93 58.940 58.509 0.431 1
1 1021 . 9 1 1 A 93 93 SER CB C 93 62.940 63.308 -0.368 1
1 1022 . 9 1 1 A 93 93 SER N N 93 117.010 116.480 0.530 1
1 1023 . 9 1 1 A 94 94 TRP H H 94 7.857 8.751 -0.894 1
1 1024 . 9 1 1 A 94 94 TRP HA H 94 4.905 5.495 -0.590 1
1 1033 . 9 1 1 A 94 94 TRP CA C 94 56.770 55.236 1.534 1
1 1034 . 9 1 1 A 94 94 TRP CB C 94 27.900 32.348 -4.448 1
1 1039 . 9 1 1 A 94 94 TRP N N 94 120.449 124.471 -4.022 1
1 1041 . 9 1 1 A 95 95 GLY H H 95 7.795 8.846 -1.051 1
1 1042 . 9 1 1 A 95 95 GLY HA2 H 95 3.953 4.135 -0.182 1
1 1043 . 9 1 1 A 95 95 GLY HA3 H 95 3.763 4.213 -0.450 1
1 1044 . 9 1 1 A 95 95 GLY CA C 95 45.487 45.281 0.206 1
1 1045 . 9 1 1 A 95 95 GLY N N 95 109.481 106.751 2.730 1
1 1046 . 9 1 1 A 96 96 THR H H 96 8.028 8.749 -0.721 1
1 1047 . 9 1 1 A 96 96 THR HA H 96 4.696 4.963 -0.267 1
1 1052 . 9 1 1 A 96 96 THR CA C 96 60.880 60.523 0.357 1
1 1053 . 9 1 1 A 96 96 THR CB C 96 70.040 69.947 0.093 1
1 1055 . 9 1 1 A 96 96 THR N N 96 112.538 118.979 -6.441 1
1 1056 . 9 1 1 A 97 97 GLY H H 97 8.443 8.672 -0.229 1
1 1057 . 9 1 1 A 97 97 GLY HA2 H 97 3.482 4.002 -0.520 1
1 1058 . 9 1 1 A 97 97 GLY HA3 H 97 3.862 4.030 -0.168 1
1 1059 . 9 1 1 A 97 97 GLY CA C 97 45.945 45.425 0.520 1
1 1060 . 9 1 1 A 97 97 GLY N N 97 111.464 114.355 -2.891 1
1 1061 . 9 1 1 A 98 98 GLU H H 98 8.010 7.566 0.444 1
1 1062 . 9 1 1 A 98 98 GLU HA H 98 4.471 4.378 0.093 1
1 1067 . 9 1 1 A 98 98 GLU CA C 98 54.730 56.272 -1.542 1
1 1068 . 9 1 1 A 98 98 GLU CB C 98 30.719 30.616 0.103 1
1 1070 . 9 1 1 A 98 98 GLU N N 98 118.563 120.535 -1.972 1
1 1071 . 9 1 1 A 99 99 ASP H H 99 8.680 8.671 0.009 1
1 1072 . 9 1 1 A 99 99 ASP HA H 99 4.612 4.688 -0.076 1
1 1075 . 9 1 1 A 99 99 ASP CA C 99 54.451 54.163 0.288 1
1 1076 . 9 1 1 A 99 99 ASP CB C 99 39.540 39.444 0.096 1
1 1077 . 9 1 1 A 99 99 ASP N N 99 122.219 122.387 -0.168 1
1 1078 . 9 1 1 A 100 100 VAL H H 100 8.215 8.834 -0.619 1
1 1079 . 9 1 1 A 100 100 VAL HA H 100 4.495 4.246 0.249 1
1 1087 . 9 1 1 A 100 100 VAL CA C 100 60.920 61.668 -0.748 1
1 1088 . 9 1 1 A 100 100 VAL CB C 100 34.150 30.555 3.595 1
1 1091 . 9 1 1 A 100 100 VAL N N 100 123.901 125.875 -1.974 1
1 1092 . 9 1 1 A 101 101 LYS H H 101 8.600 8.861 -0.261 1
1 1093 . 9 1 1 A 101 101 LYS HA H 101 5.112 4.858 0.254 1
1 1102 . 9 1 1 A 101 101 LYS CA C 101 54.718 55.738 -1.020 1
1 1103 . 9 1 1 A 101 101 LYS CB C 101 35.326 33.293 2.033 1
1 1107 . 9 1 1 A 101 101 LYS N N 101 126.635 130.655 -4.020 1
1 1108 . 9 1 1 A 102 102 VAL H H 102 9.209 8.716 0.493 1
1 1109 . 9 1 1 A 102 102 VAL HA H 102 5.405 4.548 0.857 1
1 1117 . 9 1 1 A 102 102 VAL CA C 102 59.950 62.291 -2.341 1
1 1118 . 9 1 1 A 102 102 VAL CB C 102 34.420 31.924 2.496 1
1 1121 . 9 1 1 A 102 102 VAL N N 102 125.573 127.815 -2.242 1
1 1122 . 9 1 1 A 103 103 ILE H H 103 8.968 9.529 -0.561 1
1 1123 . 9 1 1 A 103 103 ILE HA H 103 4.671 4.902 -0.231 1
1 1133 . 9 1 1 A 103 103 ILE CA C 103 59.790 60.029 -0.239 1
1 1134 . 9 1 1 A 103 103 ILE CB C 103 42.522 38.884 3.638 1
1 1138 . 9 1 1 A 103 103 ILE N N 103 125.593 129.467 -3.874 1
1 1139 . 9 1 1 A 104 104 LEU H H 104 9.017 9.375 -0.358 1
1 1140 . 9 1 1 A 104 104 LEU HA H 104 5.361 5.075 0.286 1
1 1150 . 9 1 1 A 104 104 LEU CA C 104 52.800 54.102 -1.302 1
1 1151 . 9 1 1 A 104 104 LEU CB C 104 46.200 42.280 3.920 1
1 1155 . 9 1 1 A 104 104 LEU N N 104 127.791 128.796 -1.005 1
1 1156 . 9 1 1 A 105 105 LYS H H 105 9.674 9.077 0.597 1
1 1157 . 9 1 1 A 105 105 LYS HA H 105 5.194 5.078 0.116 1
1 1166 . 9 1 1 A 105 105 LYS CA C 105 53.780 54.131 -0.351 1
1 1167 . 9 1 1 A 105 105 LYS CB C 105 36.330 36.597 -0.267 1
1 1171 . 9 1 1 A 105 105 LYS N N 105 126.536 123.020 3.516 1
1 1172 . 9 1 1 A 106 106 ASN H H 106 7.774 8.632 -0.858 1
1 1173 . 9 1 1 A 106 106 ASN HA H 106 2.714 4.549 -1.835 1
1 1178 . 9 1 1 A 106 106 ASN CA C 106 49.530 51.786 -2.256 1
1 1179 . 9 1 1 A 106 106 ASN CB C 106 36.940 39.630 -2.690 1
1 1180 . 9 1 1 A 106 106 ASN N N 106 116.550 119.114 -2.564 1
1 1182 . 9 1 1 A 107 107 SER H H 107 6.988 8.767 -1.779 1
1 1183 . 9 1 1 A 107 107 SER HA H 107 4.092 4.117 -0.025 1
1 1186 . 9 1 1 A 107 107 SER CA C 107 60.490 61.156 -0.666 1
1 1187 . 9 1 1 A 107 107 SER CB C 107 62.510 62.868 -0.358 1
1 1188 . 9 1 1 A 107 107 SER N N 107 112.400 116.863 -4.463 1
1 1189 . 9 1 1 A 108 108 GLN H H 108 7.414 7.691 -0.277 1
1 1190 . 9 1 1 A 108 108 GLN HA H 108 4.404 4.321 0.083 1
1 1197 . 9 1 1 A 108 108 GLN CA C 108 55.470 55.574 -0.104 1
1 1198 . 9 1 1 A 108 108 GLN CB C 108 28.400 28.982 -0.582 1
1 1200 . 9 1 1 A 108 108 GLN N N 108 119.000 116.810 2.190 1
1 1202 . 9 1 1 A 109 109 GLY H H 109 7.835 8.173 -0.338 1
1 1203 . 9 1 1 A 109 109 GLY HA2 H 109 4.136 3.859 0.277 1
1 1204 . 9 1 1 A 109 109 GLY HA3 H 109 3.530 3.862 -0.332 1
1 1205 . 9 1 1 A 109 109 GLY CA C 109 45.549 46.031 -0.482 1
1 1206 . 9 1 1 A 109 109 GLY N N 109 107.333 108.451 -1.118 1
1 1207 . 9 1 1 A 110 110 GLU H H 110 7.562 7.919 -0.357 1
1 1208 . 9 1 1 A 110 110 GLU HA H 110 4.209 4.585 -0.376 1
1 1213 . 9 1 1 A 110 110 GLU CA C 110 54.320 55.555 -1.235 1
1 1214 . 9 1 1 A 110 110 GLU CB C 110 29.760 30.731 -0.971 1
1 1216 . 9 1 1 A 110 110 GLU N N 110 120.137 118.518 1.619 1
1 1217 . 9 1 1 A 111 111 GLU H H 111 8.799 8.665 0.134 1
1 1218 . 9 1 1 A 111 111 GLU HA H 111 4.194 4.409 -0.215 1
1 1223 . 9 1 1 A 111 111 GLU CA C 111 57.160 57.218 -0.058 1
1 1224 . 9 1 1 A 111 111 GLU CB C 111 29.175 30.642 -1.467 1
1 1226 . 9 1 1 A 111 111 GLU N N 111 123.867 125.497 -1.630 1
1 1227 . 9 1 1 A 112 112 VAL H H 112 9.093 9.246 -0.153 1
1 1228 . 9 1 1 A 112 112 VAL HA H 112 4.330 4.149 0.181 1
1 1236 . 9 1 1 A 112 112 VAL CA C 112 61.529 63.608 -2.079 1
1 1237 . 9 1 1 A 112 112 VAL CB C 112 33.230 32.795 0.435 1
1 1240 . 9 1 1 A 112 112 VAL N N 112 122.642 127.073 -4.431 1
1 1241 . 9 1 1 A 113 113 ALA H H 113 7.793 7.368 0.425 1
1 1242 . 9 1 1 A 113 113 ALA HA H 113 4.770 4.785 -0.015 1
1 1246 . 9 1 1 A 113 113 ALA CA C 113 52.449 51.320 1.129 1
1 1247 . 9 1 1 A 113 113 ALA CB C 113 22.400 23.341 -0.941 1
1 1248 . 9 1 1 A 113 113 ALA N N 113 121.070 118.744 2.326 1
1 1249 . 9 1 1 A 114 114 GLN H H 114 8.450 8.924 -0.474 1
1 1250 . 9 1 1 A 114 114 GLN HA H 114 5.404 5.486 -0.082 1
1 1257 . 9 1 1 A 114 114 GLN CA C 114 54.830 54.365 0.465 1
1 1258 . 9 1 1 A 114 114 GLN CB C 114 32.307 32.951 -0.644 1
1 1260 . 9 1 1 A 114 114 GLN N N 114 115.851 115.882 -0.031 1
1 1262 . 9 1 1 A 115 115 ARG H H 115 8.989 8.500 0.489 1
1 1263 . 9 1 1 A 115 115 ARG HA H 115 4.555 4.858 -0.303 1
1 1270 . 9 1 1 A 115 115 ARG CA C 115 56.350 55.516 0.834 1
1 1271 . 9 1 1 A 115 115 ARG CB C 115 33.730 34.464 -0.734 1
1 1274 . 9 1 1 A 115 115 ARG N N 115 122.920 121.323 1.597 1
1 1275 . 9 1 1 A 116 116 SER H H 116 8.511 8.568 -0.057 1
1 1276 . 9 1 1 A 116 116 SER HA H 116 5.756 5.152 0.604 1
1 1279 . 9 1 1 A 116 116 SER CA C 116 56.400 57.157 -0.757 1
1 1280 . 9 1 1 A 116 116 SER CB C 116 65.770 66.018 -0.248 1
1 1281 . 9 1 1 A 116 116 SER N N 116 119.807 116.310 3.497 1
1 1282 . 9 1 1 A 117 117 THR H H 117 8.801 8.585 0.216 1
1 1283 . 9 1 1 A 117 117 THR HA H 117 4.378 4.382 -0.004 1
1 1288 . 9 1 1 A 117 117 THR CA C 117 62.160 62.164 -0.004 1
1 1289 . 9 1 1 A 117 117 THR CB C 117 70.010 68.091 1.919 1
1 1291 . 9 1 1 A 117 117 THR N N 117 116.435 113.102 3.333 1
1 1292 . 9 1 1 A 118 118 VAL H H 118 8.165 8.385 -0.220 1
1 1293 . 9 1 1 A 118 118 VAL HA H 118 4.227 3.926 0.301 1
1 1301 . 9 1 1 A 118 118 VAL CA C 118 61.320 62.824 -1.504 1
1 1302 . 9 1 1 A 118 118 VAL CB C 118 32.931 30.392 2.539 1
1 1305 . 9 1 1 A 118 118 VAL N N 118 122.111 127.435 -5.324 1
1 1306 . 9 1 1 A 119 119 PHE H H 119 8.580 7.534 1.046 1
1 1307 . 9 1 1 A 119 119 PHE HA H 119 4.655 4.472 0.183 1
1 1314 . 9 1 1 A 119 119 PHE CA C 119 57.520 57.956 -0.436 1
1 1315 . 9 1 1 A 119 119 PHE CB C 119 39.550 39.057 0.493 1
1 1320 . 9 1 1 A 119 119 PHE N N 119 126.006 123.636 2.370 1
1 1321 . 9 1 1 A 120 120 LYS H H 120 8.346 7.219 1.127 1
1 1322 . 9 1 1 A 120 120 LYS HA H 120 4.432 4.941 -0.509 1
1 1331 . 9 1 1 A 120 120 LYS CA C 120 55.740 55.370 0.370 1
1 1332 . 9 1 1 A 120 120 LYS CB C 120 33.290 35.849 -2.559 1
1 1336 . 9 1 1 A 120 120 LYS N N 120 124.095 121.348 2.747 1
1 1337 . 9 1 1 A 121 121 THR H H 121 8.294 8.893 -0.599 1
1 1338 . 9 1 1 A 121 121 THR HA H 121 4.394 4.752 -0.358 1
1 1343 . 9 1 1 A 121 121 THR CA C 121 61.610 60.931 0.679 1
1 1344 . 9 1 1 A 121 121 THR CB C 121 69.640 69.982 -0.342 1
1 1346 . 9 1 1 A 121 121 THR N N 121 116.359 120.371 -4.012 1
1 1 . 10 1 1 A 3 3 HIS H H 3 8.528 8.177 0.351 1
1 2 . 10 1 1 A 3 3 HIS HA H 3 4.626 5.024 -0.398 1
1 5 . 10 1 1 A 3 3 HIS CA C 3 55.260 54.983 0.277 1
1 6 . 10 1 1 A 3 3 HIS CB C 3 29.250 31.001 -1.751 1
1 7 . 10 1 1 A 3 3 HIS N N 3 118.990 114.999 3.991 1
1 8 . 10 1 1 A 4 4 HIS H H 4 8.528 7.678 0.850 1
1 9 . 10 1 1 A 4 4 HIS HA H 4 4.624 4.850 -0.226 1
1 12 . 10 1 1 A 4 4 HIS CA C 4 55.277 54.576 0.701 1
1 13 . 10 1 1 A 4 4 HIS CB C 4 29.002 29.302 -0.300 1
1 14 . 10 1 1 A 4 4 HIS N N 4 118.990 119.487 -0.497 1
1 15 . 10 1 1 A 5 5 HIS H H 5 8.579 8.679 -0.100 1
1 16 . 10 1 1 A 5 5 HIS HA H 5 4.737 4.600 0.137 1
1 19 . 10 1 1 A 5 5 HIS CA C 5 55.330 56.614 -1.284 1
1 20 . 10 1 1 A 5 5 HIS CB C 5 29.257 31.352 -2.095 1
1 21 . 10 1 1 A 5 5 HIS N N 5 119.720 121.896 -2.176 1
1 22 . 10 1 1 A 6 6 HIS H H 6 8.603 7.734 0.869 1
1 23 . 10 1 1 A 6 6 HIS HA H 6 4.674 4.523 0.151 1
1 26 . 10 1 1 A 6 6 HIS CA C 6 55.150 54.905 0.245 1
1 27 . 10 1 1 A 6 6 HIS CB C 6 27.340 28.006 -0.666 1
1 28 . 10 1 1 A 6 6 HIS N N 6 121.420 117.532 3.888 1
1 29 . 10 1 1 A 7 7 HIS H H 7 8.706 8.785 -0.079 1
1 30 . 10 1 1 A 7 7 HIS HA H 7 4.658 5.041 -0.383 1
1 33 . 10 1 1 A 7 7 HIS CA C 7 55.100 54.485 0.615 1
1 34 . 10 1 1 A 7 7 HIS CB C 7 29.300 31.785 -2.485 1
1 35 . 10 1 1 A 7 7 HIS N N 7 121.200 121.670 -0.470 1
1 36 . 10 1 1 A 8 8 HIS H H 8 8.706 8.777 -0.071 1
1 37 . 10 1 1 A 8 8 HIS HA H 8 4.706 5.548 -0.842 1
1 40 . 10 1 1 A 8 8 HIS CA C 8 55.156 53.690 1.466 1
1 41 . 10 1 1 A 8 8 HIS CB C 8 29.396 32.229 -2.833 1
1 42 . 10 1 1 A 8 8 HIS N N 8 121.200 120.319 0.881 1
1 43 . 10 1 1 A 9 9 SER H H 9 8.551 9.014 -0.463 1
1 44 . 10 1 1 A 9 9 SER HA H 9 4.450 4.255 0.195 1
1 47 . 10 1 1 A 9 9 SER CA C 9 58.200 57.716 0.484 1
1 48 . 10 1 1 A 9 9 SER CB C 9 63.740 62.308 1.432 1
1 49 . 10 1 1 A 9 9 SER N N 9 118.046 117.955 0.091 1
1 50 . 10 1 1 A 10 10 HIS H H 10 8.770 7.874 0.896 1
1 51 . 10 1 1 A 10 10 HIS HA H 10 4.726 4.948 -0.222 1
1 54 . 10 1 1 A 10 10 HIS CA C 10 55.640 54.323 1.317 1
1 55 . 10 1 1 A 10 10 HIS CB C 10 29.172 30.641 -1.469 1
1 56 . 10 1 1 A 10 10 HIS N N 10 120.412 120.236 0.176 1
1 57 . 10 1 1 A 11 11 MET H H 11 8.528 8.621 -0.093 1
1 58 . 10 1 1 A 11 11 MET HA H 11 4.658 5.205 -0.547 1
1 66 . 10 1 1 A 11 11 MET CA C 11 55.438 54.560 0.878 1
1 67 . 10 1 1 A 11 11 MET CB C 11 33.090 37.567 -4.477 1
1 70 . 10 1 1 A 11 11 MET N N 11 122.400 122.972 -0.572 1
1 71 . 10 1 1 A 12 12 THR H H 12 8.339 8.859 -0.520 1
1 72 . 10 1 1 A 12 12 THR HA H 12 4.450 4.807 -0.357 1
1 77 . 10 1 1 A 12 12 THR CA C 12 61.810 59.207 2.603 1
1 78 . 10 1 1 A 12 12 THR CB C 12 70.450 71.866 -1.416 1
1 80 . 10 1 1 A 12 12 THR N N 12 115.700 115.336 0.364 1
1 81 . 10 1 1 A 13 13 GLY H H 13 8.426 8.572 -0.146 1
1 82 . 10 1 1 A 13 13 GLY HA2 H 13 4.287 4.174 0.113 1
1 83 . 10 1 1 A 13 13 GLY HA3 H 13 3.877 4.195 -0.318 1
1 84 . 10 1 1 A 13 13 GLY CA C 13 45.243 45.682 -0.439 1
1 85 . 10 1 1 A 13 13 GLY N N 13 110.872 112.871 -1.999 1
1 86 . 10 1 1 A 14 14 ASN H H 14 8.374 9.136 -0.762 1
1 87 . 10 1 1 A 14 14 ASN HA H 14 4.720 4.981 -0.261 1
1 92 . 10 1 1 A 14 14 ASN CA C 14 54.200 54.224 -0.024 1
1 93 . 10 1 1 A 14 14 ASN CB C 14 39.210 40.764 -1.554 1
1 94 . 10 1 1 A 14 14 ASN N N 14 117.789 122.112 -4.323 1
1 96 . 10 1 1 A 15 15 VAL H H 15 7.890 7.628 0.262 1
1 97 . 10 1 1 A 15 15 VAL HA H 15 4.843 3.881 0.962 1
1 105 . 10 1 1 A 15 15 VAL CA C 15 61.759 62.961 -1.202 1
1 106 . 10 1 1 A 15 15 VAL CB C 15 33.230 31.683 1.547 1
1 109 . 10 1 1 A 15 15 VAL N N 15 118.720 118.018 0.702 1
1 110 . 10 1 1 A 16 16 CYS H H 16 9.060 8.675 0.385 1
1 111 . 10 1 1 A 16 16 CYS HA H 16 4.899 4.939 -0.040 1
1 114 . 10 1 1 A 16 16 CYS CA C 16 54.620 57.600 -2.980 1
1 115 . 10 1 1 A 16 16 CYS CB C 16 30.900 32.292 -1.392 1
1 116 . 10 1 1 A 16 16 CYS N N 16 122.674 124.378 -1.704 1
1 117 . 10 1 1 A 17 17 ILE H H 17 8.845 8.763 0.082 1
1 118 . 10 1 1 A 17 17 ILE HA H 17 4.153 4.087 0.066 1
1 128 . 10 1 1 A 17 17 ILE CA C 17 61.080 61.591 -0.511 1
1 129 . 10 1 1 A 17 17 ILE CB C 17 36.397 37.595 -1.198 1
1 133 . 10 1 1 A 17 17 ILE N N 17 122.609 123.838 -1.229 1
1 134 . 10 1 1 A 18 18 GLU H H 18 8.917 8.735 0.182 1
1 135 . 10 1 1 A 18 18 GLU HA H 18 4.230 4.247 -0.017 1
1 140 . 10 1 1 A 18 18 GLU CA C 18 57.160 58.396 -1.236 1
1 141 . 10 1 1 A 18 18 GLU CB C 18 30.550 30.660 -0.110 1
1 143 . 10 1 1 A 18 18 GLU N N 18 130.894 129.044 1.850 1
1 144 . 10 1 1 A 19 19 GLU H H 19 7.853 7.704 0.149 1
1 145 . 10 1 1 A 19 19 GLU HA H 19 4.470 4.629 -0.159 1
1 150 . 10 1 1 A 19 19 GLU CA C 19 56.110 56.117 -0.007 1
1 151 . 10 1 1 A 19 19 GLU CB C 19 33.847 33.372 0.475 1
1 153 . 10 1 1 A 19 19 GLU N N 19 115.069 117.740 -2.671 1
1 154 . 10 1 1 A 20 20 ILE H H 20 8.744 8.709 0.035 1
1 155 . 10 1 1 A 20 20 ILE HA H 20 4.080 4.182 -0.102 1
1 165 . 10 1 1 A 20 20 ILE CA C 20 60.619 60.978 -0.359 1
1 166 . 10 1 1 A 20 20 ILE CB C 20 39.170 38.291 0.879 1
1 170 . 10 1 1 A 20 20 ILE N N 20 127.309 125.084 2.225 1
1 171 . 10 1 1 A 21 21 ASP H H 21 7.468 8.127 -0.659 1
1 172 . 10 1 1 A 21 21 ASP HA H 21 3.949 4.100 -0.151 1
1 175 . 10 1 1 A 21 21 ASP CA C 21 54.970 53.941 1.029 1
1 176 . 10 1 1 A 21 21 ASP CB C 21 42.170 41.907 0.263 1
1 177 . 10 1 1 A 21 21 ASP N N 21 124.858 124.716 0.142 1
1 178 . 10 1 1 A 22 22 VAL H H 22 8.650 8.415 0.235 1
1 179 . 10 1 1 A 22 22 VAL HA H 22 3.998 3.878 0.120 1
1 187 . 10 1 1 A 22 22 VAL CA C 22 64.445 64.951 -0.506 1
1 188 . 10 1 1 A 22 22 VAL CB C 22 31.244 31.715 -0.471 1
1 191 . 10 1 1 A 22 22 VAL N N 22 130.172 125.484 4.688 1
1 192 . 10 1 1 A 23 23 ASP H H 23 7.482 7.560 -0.078 1
1 193 . 10 1 1 A 23 23 ASP HA H 23 4.711 4.609 0.102 1
1 196 . 10 1 1 A 23 23 ASP CA C 23 53.920 54.206 -0.286 1
1 197 . 10 1 1 A 23 23 ASP CB C 23 40.100 41.404 -1.304 1
1 198 . 10 1 1 A 23 23 ASP N N 23 118.547 119.046 -0.499 1
1 199 . 10 1 1 A 24 24 GLY H H 24 7.220 7.659 -0.439 1
1 200 . 10 1 1 A 24 24 GLY HA2 H 24 2.950 3.727 -0.777 1
1 201 . 10 1 1 A 24 24 GLY HA3 H 24 2.407 3.862 -1.455 1
1 202 . 10 1 1 A 24 24 GLY CA C 24 45.040 45.456 -0.416 1
1 203 . 10 1 1 A 24 24 GLY N N 24 105.293 106.954 -1.661 1
1 204 . 10 1 1 A 25 25 LYS H H 25 8.757 7.927 0.830 1
1 205 . 10 1 1 A 25 25 LYS HA H 25 3.964 3.936 0.028 1
1 214 . 10 1 1 A 25 25 LYS CA C 25 56.590 56.338 0.252 1
1 215 . 10 1 1 A 25 25 LYS CB C 25 33.660 33.482 0.178 1
1 219 . 10 1 1 A 25 25 LYS N N 25 111.753 117.118 -5.365 1
1 220 . 10 1 1 A 26 26 PHE H H 26 6.380 7.280 -0.900 1
1 221 . 10 1 1 A 26 26 PHE HA H 26 5.753 5.261 0.492 1
1 229 . 10 1 1 A 26 26 PHE CA C 26 56.370 56.159 0.211 1
1 230 . 10 1 1 A 26 26 PHE CB C 26 40.030 40.172 -0.142 1
1 236 . 10 1 1 A 26 26 PHE N N 26 110.097 114.729 -4.632 1
1 237 . 10 1 1 A 27 27 ILE H H 27 8.601 9.089 -0.488 1
1 238 . 10 1 1 A 27 27 ILE HA H 27 4.506 5.050 -0.544 1
1 248 . 10 1 1 A 27 27 ILE CA C 27 60.905 59.962 0.943 1
1 249 . 10 1 1 A 27 27 ILE CB C 27 43.249 40.915 2.334 1
1 253 . 10 1 1 A 27 27 ILE N N 27 119.676 119.767 -0.091 1
1 254 . 10 1 1 A 28 28 ARG H H 28 9.290 8.653 0.637 1
1 255 . 10 1 1 A 28 28 ARG HA H 28 5.561 5.046 0.515 1
1 262 . 10 1 1 A 28 28 ARG CA C 28 54.650 54.782 -0.132 1
1 263 . 10 1 1 A 28 28 ARG CB C 28 34.180 32.723 1.457 1
1 266 . 10 1 1 A 28 28 ARG N N 28 127.516 127.720 -0.204 1
1 267 . 10 1 1 A 29 29 LEU H H 29 9.502 9.019 0.483 1
1 268 . 10 1 1 A 29 29 LEU HA H 29 5.306 5.012 0.294 1
1 278 . 10 1 1 A 29 29 LEU CA C 29 54.010 53.147 0.863 1
1 279 . 10 1 1 A 29 29 LEU CB C 29 44.020 44.538 -0.518 1
1 283 . 10 1 1 A 29 29 LEU N N 29 126.696 128.027 -1.331 1
1 284 . 10 1 1 A 30 30 LYS H H 30 8.641 8.804 -0.163 1
1 285 . 10 1 1 A 30 30 LYS HA H 30 5.108 4.761 0.347 1
1 294 . 10 1 1 A 30 30 LYS CA C 30 54.660 55.239 -0.579 1
1 295 . 10 1 1 A 30 30 LYS CB C 30 38.070 36.547 1.523 1
1 299 . 10 1 1 A 30 30 LYS N N 30 118.761 121.005 -2.244 1
1 300 . 10 1 1 A 31 31 ASN H H 31 8.397 8.771 -0.374 1
1 301 . 10 1 1 A 31 31 ASN HA H 31 5.319 4.700 0.619 1
1 306 . 10 1 1 A 31 31 ASN CA C 31 50.690 52.383 -1.693 1
1 307 . 10 1 1 A 31 31 ASN CB C 31 37.490 37.741 -0.251 1
1 308 . 10 1 1 A 31 31 ASN N N 31 123.996 124.179 -0.183 1
1 310 . 10 1 1 A 32 32 THR H H 32 8.455 8.013 0.442 1
1 311 . 10 1 1 A 32 32 THR HA H 32 4.302 4.579 -0.277 1
1 316 . 10 1 1 A 32 32 THR CA C 32 61.492 61.616 -0.124 1
1 317 . 10 1 1 A 32 32 THR CB C 32 68.110 68.312 -0.202 1
1 319 . 10 1 1 A 32 32 THR N N 32 115.755 117.208 -1.453 1
1 320 . 10 1 1 A 33 33 SER H H 33 8.487 7.981 0.506 1
1 321 . 10 1 1 A 33 33 SER HA H 33 4.793 4.704 0.089 1
1 324 . 10 1 1 A 33 33 SER CA C 33 57.500 57.209 0.291 1
1 325 . 10 1 1 A 33 33 SER CB C 33 66.510 65.451 1.059 1
1 326 . 10 1 1 A 33 33 SER N N 33 120.037 119.087 0.950 1
1 327 . 10 1 1 A 34 34 GLU H H 34 8.355 8.646 -0.291 1
1 328 . 10 1 1 A 34 34 GLU HA H 34 4.335 4.513 -0.178 1
1 333 . 10 1 1 A 34 34 GLU CA C 34 55.840 56.879 -1.039 1
1 334 . 10 1 1 A 34 34 GLU CB C 34 28.930 30.574 -1.644 1
1 336 . 10 1 1 A 34 34 GLU N N 34 116.545 117.619 -1.074 1
1 337 . 10 1 1 A 35 35 GLN H H 35 8.634 7.608 1.026 1
1 338 . 10 1 1 A 35 35 GLN HA H 35 4.664 4.702 -0.038 1
1 345 . 10 1 1 A 35 35 GLN CA C 35 53.740 54.804 -1.064 1
1 346 . 10 1 1 A 35 35 GLN CB C 35 31.696 32.366 -0.670 1
1 348 . 10 1 1 A 35 35 GLN N N 35 120.013 119.423 0.590 1
1 350 . 10 1 1 A 36 36 ASP H H 36 8.859 8.540 0.319 1
1 351 . 10 1 1 A 36 36 ASP HA H 36 4.050 4.696 -0.646 1
1 354 . 10 1 1 A 36 36 ASP CA C 36 54.640 54.923 -0.283 1
1 355 . 10 1 1 A 36 36 ASP CB C 36 40.120 40.532 -0.412 1
1 356 . 10 1 1 A 36 36 ASP N N 36 124.552 121.986 2.566 1
1 357 . 10 1 1 A 37 37 GLN H H 37 8.141 8.712 -0.571 1
1 358 . 10 1 1 A 37 37 GLN HA H 37 4.786 4.810 -0.024 1
1 365 . 10 1 1 A 37 37 GLN CA C 37 50.858 52.129 -1.271 1
1 366 . 10 1 1 A 37 37 GLN CB C 37 31.860 30.179 1.681 1
1 368 . 10 1 1 A 37 37 GLN N N 37 120.015 123.104 -3.089 1
1 370 . 10 1 1 A 38 38 PRO HA H 38 4.367 4.484 -0.117 1
1 377 . 10 1 1 A 38 38 PRO CA C 38 63.330 62.794 0.536 1
1 378 . 10 1 1 A 38 38 PRO CB C 38 31.750 32.207 -0.457 1
1 381 . 10 1 1 A 39 39 MET H H 39 8.392 8.686 -0.294 1
1 382 . 10 1 1 A 39 39 MET HA H 39 2.792 3.888 -1.096 1
1 390 . 10 1 1 A 39 39 MET CA C 39 53.780 58.038 -4.258 1
1 391 . 10 1 1 A 39 39 MET CB C 39 34.410 32.190 2.220 1
1 394 . 10 1 1 A 39 39 MET N N 39 124.427 123.508 0.919 1
1 395 . 10 1 1 A 40 40 GLY H H 40 7.940 7.983 -0.043 1
1 396 . 10 1 1 A 40 40 GLY HA2 H 40 4.154 3.853 0.301 1
1 397 . 10 1 1 A 40 40 GLY HA3 H 40 3.763 3.899 -0.136 1
1 398 . 10 1 1 A 40 40 GLY CA C 40 48.114 47.337 0.777 1
1 399 . 10 1 1 A 40 40 GLY N N 40 108.664 107.339 1.325 1
1 400 . 10 1 1 A 41 41 GLY H H 41 7.959 8.679 -0.720 1
1 401 . 10 1 1 A 41 41 GLY HA2 H 41 4.323 3.841 0.482 1
1 402 . 10 1 1 A 41 41 GLY HA3 H 41 3.769 3.889 -0.120 1
1 403 . 10 1 1 A 41 41 GLY CA C 41 46.020 46.026 -0.006 1
1 404 . 10 1 1 A 41 41 GLY N N 41 114.027 111.182 2.845 1
1 405 . 10 1 1 A 42 42 TRP H H 42 8.667 7.851 0.816 1
1 406 . 10 1 1 A 42 42 TRP HA H 42 4.408 5.165 -0.757 1
1 415 . 10 1 1 A 42 42 TRP CA C 42 58.925 56.111 2.814 1
1 416 . 10 1 1 A 42 42 TRP CB C 42 28.120 32.178 -4.058 1
1 422 . 10 1 1 A 42 42 TRP N N 42 122.097 119.113 2.984 1
1 424 . 10 1 1 A 43 43 GLU H H 43 8.740 9.436 -0.696 1
1 425 . 10 1 1 A 43 43 GLU HA H 43 5.462 4.995 0.467 1
1 430 . 10 1 1 A 43 43 GLU CA C 43 54.410 54.982 -0.572 1
1 431 . 10 1 1 A 43 43 GLU CB C 43 33.980 31.704 2.276 1
1 433 . 10 1 1 A 43 43 GLU N N 43 120.300 122.996 -2.696 1
1 434 . 10 1 1 A 44 44 MET H H 44 9.658 9.511 0.147 1
1 435 . 10 1 1 A 44 44 MET HA H 44 5.488 5.108 0.380 1
1 443 . 10 1 1 A 44 44 MET CA C 44 53.360 54.528 -1.168 1
1 444 . 10 1 1 A 44 44 MET CB C 44 37.490 33.834 3.656 1
1 447 . 10 1 1 A 44 44 MET N N 44 126.477 127.790 -1.313 1
1 448 . 10 1 1 A 45 45 ILE H H 45 9.658 9.389 0.269 1
1 449 . 10 1 1 A 45 45 ILE HA H 45 4.781 4.608 0.173 1
1 459 . 10 1 1 A 45 45 ILE CA C 45 60.413 60.466 -0.053 1
1 460 . 10 1 1 A 45 45 ILE CB C 45 40.804 38.050 2.754 1
1 464 . 10 1 1 A 45 45 ILE N N 45 127.329 127.918 -0.589 1
1 465 . 10 1 1 A 46 46 ARG H H 46 9.217 8.775 0.442 1
1 466 . 10 1 1 A 46 46 ARG HA H 46 5.083 4.723 0.360 1
1 474 . 10 1 1 A 46 46 ARG CA C 46 53.760 55.595 -1.835 1
1 475 . 10 1 1 A 46 46 ARG CB C 46 33.559 31.145 2.414 1
1 478 . 10 1 1 A 46 46 ARG N N 46 126.837 128.699 -1.862 1
1 480 . 10 1 1 A 47 47 LYS H H 47 9.876 9.068 0.808 1
1 481 . 10 1 1 A 47 47 LYS HA H 47 5.257 4.741 0.516 1
1 490 . 10 1 1 A 47 47 LYS CA C 47 55.260 55.547 -0.287 1
1 491 . 10 1 1 A 47 47 LYS CB C 47 34.860 34.645 0.215 1
1 495 . 10 1 1 A 47 47 LYS N N 47 132.271 127.341 4.930 1
1 496 . 10 1 1 A 48 48 ILE H H 48 7.909 8.735 -0.826 1
1 497 . 10 1 1 A 48 48 ILE HA H 48 4.360 4.810 -0.450 1
1 507 . 10 1 1 A 48 48 ILE CA C 48 61.132 62.856 -1.724 1
1 508 . 10 1 1 A 48 48 ILE CB C 48 40.316 40.103 0.213 1
1 512 . 10 1 1 A 48 48 ILE N N 48 125.793 121.473 4.320 1
1 513 . 10 1 1 A 49 49 GLY H H 49 9.576 7.631 1.945 1
1 514 . 10 1 1 A 49 49 GLY HA2 H 49 4.021 4.143 -0.122 1
1 515 . 10 1 1 A 49 49 GLY HA3 H 49 3.730 4.148 -0.418 1
1 516 . 10 1 1 A 49 49 GLY CA C 49 46.910 45.391 1.519 1
1 517 . 10 1 1 A 49 49 GLY N N 49 120.665 108.247 12.418 1
1 518 . 10 1 1 A 50 50 ASP H H 50 8.935 9.121 -0.186 1
1 519 . 10 1 1 A 50 50 ASP HA H 50 4.777 4.448 0.329 1
1 522 . 10 1 1 A 50 50 ASP CA C 50 54.000 56.708 -2.708 1
1 523 . 10 1 1 A 50 50 ASP CB C 50 40.520 40.205 0.315 1
1 524 . 10 1 1 A 50 50 ASP N N 50 126.343 124.012 2.331 1
1 525 . 10 1 1 A 51 51 THR H H 51 8.253 7.973 0.280 1
1 526 . 10 1 1 A 51 51 THR HA H 51 4.638 4.735 -0.097 1
1 531 . 10 1 1 A 51 51 THR CA C 51 61.690 61.709 -0.019 1
1 532 . 10 1 1 A 51 51 THR CB C 51 71.080 69.837 1.243 1
1 534 . 10 1 1 A 51 51 THR N N 51 115.167 114.915 0.252 1
1 535 . 10 1 1 A 52 52 SER H H 52 8.710 8.767 -0.057 1
1 536 . 10 1 1 A 52 52 SER HA H 52 5.318 5.249 0.069 1
1 539 . 10 1 1 A 52 52 SER CA C 52 57.290 56.733 0.557 1
1 540 . 10 1 1 A 52 52 SER CB C 52 64.730 66.565 -1.835 1
1 541 . 10 1 1 A 52 52 SER N N 52 121.442 121.227 0.215 1
1 542 . 10 1 1 A 53 53 VAL H H 53 8.448 8.510 -0.062 1
1 543 . 10 1 1 A 53 53 VAL HA H 53 4.650 5.049 -0.399 1
1 551 . 10 1 1 A 53 53 VAL CA C 53 60.449 59.736 0.713 1
1 552 . 10 1 1 A 53 53 VAL CB C 53 35.105 36.002 -0.897 1
1 555 . 10 1 1 A 53 53 VAL N N 53 121.387 120.884 0.503 1
1 556 . 10 1 1 A 54 54 SER H H 54 8.761 9.052 -0.291 1
1 557 . 10 1 1 A 54 54 SER HA H 54 5.760 5.880 -0.120 1
1 560 . 10 1 1 A 54 54 SER CA C 54 57.180 55.641 1.539 1
1 561 . 10 1 1 A 54 54 SER CB C 54 65.910 66.150 -0.240 1
1 562 . 10 1 1 A 54 54 SER N N 54 118.025 121.724 -3.699 1
1 563 . 10 1 1 A 55 55 TYR H H 55 9.340 8.725 0.615 1
1 564 . 10 1 1 A 55 55 TYR HA H 55 4.175 4.925 -0.750 1
1 571 . 10 1 1 A 55 55 TYR CA C 55 57.100 57.951 -0.851 1
1 572 . 10 1 1 A 55 55 TYR CB C 55 39.870 41.727 -1.857 1
1 577 . 10 1 1 A 55 55 TYR N N 55 128.024 121.456 6.568 1
1 578 . 10 1 1 A 56 56 LYS H H 56 7.551 8.201 -0.650 1
1 579 . 10 1 1 A 56 56 LYS HA H 56 4.890 4.735 0.155 1
1 588 . 10 1 1 A 56 56 LYS CA C 56 54.117 54.242 -0.125 1
1 589 . 10 1 1 A 56 56 LYS CB C 56 33.610 33.979 -0.369 1
1 593 . 10 1 1 A 56 56 LYS N N 56 127.706 127.738 -0.032 1
1 594 . 10 1 1 A 57 57 TYR H H 57 8.247 8.566 -0.319 1
1 595 . 10 1 1 A 57 57 TYR HA H 57 3.996 4.513 -0.517 1
1 602 . 10 1 1 A 57 57 TYR CA C 57 59.032 58.860 0.172 1
1 603 . 10 1 1 A 57 57 TYR CB C 57 39.390 38.958 0.432 1
1 608 . 10 1 1 A 57 57 TYR N N 57 124.225 126.234 -2.009 1
1 609 . 10 1 1 A 58 58 THR H H 58 8.722 8.650 0.072 1
1 610 . 10 1 1 A 58 58 THR HA H 58 4.259 4.610 -0.351 1
1 615 . 10 1 1 A 58 58 THR CA C 58 62.250 61.487 0.763 1
1 616 . 10 1 1 A 58 58 THR CB C 58 69.280 69.632 -0.352 1
1 618 . 10 1 1 A 58 58 THR N N 58 116.096 118.046 -1.950 1
1 619 . 10 1 1 A 59 59 SER H H 59 8.402 8.882 -0.480 1
1 620 . 10 1 1 A 59 59 SER HA H 59 4.050 4.553 -0.503 1
1 623 . 10 1 1 A 59 59 SER CA C 59 61.680 58.020 3.660 1
1 624 . 10 1 1 A 59 59 SER CB C 59 63.210 61.283 1.927 1
1 625 . 10 1 1 A 59 59 SER N N 59 114.556 125.220 -10.664 1
1 626 . 10 1 1 A 60 60 ARG H H 60 8.176 8.416 -0.240 1
1 627 . 10 1 1 A 60 60 ARG HA H 60 4.489 4.724 -0.235 1
1 634 . 10 1 1 A 60 60 ARG CA C 60 54.960 55.508 -0.548 1
1 635 . 10 1 1 A 60 60 ARG CB C 60 29.846 31.556 -1.710 1
1 638 . 10 1 1 A 60 60 ARG N N 60 118.244 120.564 -2.320 1
1 639 . 10 1 1 A 61 61 TYR H H 61 7.617 7.433 0.184 1
1 640 . 10 1 1 A 61 61 TYR HA H 61 3.897 4.962 -1.065 1
1 647 . 10 1 1 A 61 61 TYR CA C 61 61.930 56.578 5.352 1
1 648 . 10 1 1 A 61 61 TYR CB C 61 38.670 39.920 -1.250 1
1 653 . 10 1 1 A 61 61 TYR N N 61 122.301 116.394 5.907 1
1 654 . 10 1 1 A 62 62 VAL H H 62 7.363 8.771 -1.408 1
1 655 . 10 1 1 A 62 62 VAL HA H 62 3.893 4.452 -0.559 1
1 663 . 10 1 1 A 62 62 VAL CA C 62 60.590 61.349 -0.759 1
1 664 . 10 1 1 A 62 62 VAL CB C 62 35.270 32.721 2.549 1
1 667 . 10 1 1 A 62 62 VAL N N 62 129.952 120.760 9.192 1
1 668 . 10 1 1 A 63 63 LEU H H 63 7.852 8.824 -0.972 1
1 669 . 10 1 1 A 63 63 LEU HA H 63 4.558 4.907 -0.349 1
1 679 . 10 1 1 A 63 63 LEU CA C 63 51.980 54.763 -2.783 1
1 680 . 10 1 1 A 63 63 LEU CB C 63 42.600 42.774 -0.174 1
1 684 . 10 1 1 A 63 63 LEU N N 63 128.635 130.515 -1.880 1
1 685 . 10 1 1 A 64 64 LYS H H 64 8.770 8.548 0.222 1
1 686 . 10 1 1 A 64 64 LYS HA H 64 3.722 4.510 -0.788 1
1 695 . 10 1 1 A 64 64 LYS CA C 64 57.360 56.831 0.529 1
1 696 . 10 1 1 A 64 64 LYS CB C 64 32.381 32.920 -0.539 1
1 700 . 10 1 1 A 64 64 LYS N N 64 130.633 127.097 3.536 1
1 701 . 10 1 1 A 65 65 ALA H H 65 8.628 8.117 0.511 1
1 702 . 10 1 1 A 65 65 ALA HA H 65 3.557 3.983 -0.426 1
1 706 . 10 1 1 A 65 65 ALA CA C 65 53.700 53.908 -0.208 1
1 707 . 10 1 1 A 65 65 ALA CB C 65 18.660 18.303 0.357 1
1 708 . 10 1 1 A 65 65 ALA N N 65 123.214 125.502 -2.288 1
1 709 . 10 1 1 A 66 66 GLY H H 66 7.505 8.845 -1.340 1
1 710 . 10 1 1 A 66 66 GLY HA2 H 66 4.020 3.921 0.099 1
1 711 . 10 1 1 A 66 66 GLY HA3 H 66 4.020 3.926 0.094 1
1 712 . 10 1 1 A 66 66 GLY CA C 66 46.864 45.384 1.480 1
1 713 . 10 1 1 A 66 66 GLY N N 66 112.913 110.671 2.242 1
1 714 . 10 1 1 A 67 67 GLN H H 67 8.136 7.694 0.442 1
1 715 . 10 1 1 A 67 67 GLN HA H 67 4.436 4.509 -0.073 1
1 722 . 10 1 1 A 67 67 GLN CA C 67 55.029 55.123 -0.094 1
1 723 . 10 1 1 A 67 67 GLN CB C 67 29.700 30.127 -0.427 1
1 725 . 10 1 1 A 67 67 GLN N N 67 118.759 121.236 -2.477 1
1 727 . 10 1 1 A 68 68 THR H H 68 8.066 8.307 -0.241 1
1 728 . 10 1 1 A 68 68 THR HA H 68 5.414 5.251 0.163 1
1 733 . 10 1 1 A 68 68 THR CA C 68 60.050 59.810 0.240 1
1 734 . 10 1 1 A 68 68 THR CB C 68 72.052 71.042 1.010 1
1 736 . 10 1 1 A 68 68 THR N N 68 111.842 115.325 -3.483 1
1 737 . 10 1 1 A 69 69 VAL H H 69 8.780 9.019 -0.239 1
1 738 . 10 1 1 A 69 69 VAL HA H 69 4.989 5.034 -0.045 1
1 746 . 10 1 1 A 69 69 VAL CA C 69 59.265 59.863 -0.598 1
1 747 . 10 1 1 A 69 69 VAL CB C 69 33.600 34.614 -1.014 1
1 750 . 10 1 1 A 69 69 VAL N N 69 120.958 121.419 -0.461 1
1 751 . 10 1 1 A 70 70 THR H H 70 8.660 8.979 -0.319 1
1 752 . 10 1 1 A 70 70 THR HA H 70 4.618 4.951 -0.333 1
1 757 . 10 1 1 A 70 70 THR CA C 70 61.730 62.053 -0.323 1
1 758 . 10 1 1 A 70 70 THR CB C 70 69.550 69.446 0.104 1
1 760 . 10 1 1 A 70 70 THR N N 70 125.533 123.866 1.667 1
1 761 . 10 1 1 A 71 71 ILE H H 71 8.994 9.416 -0.422 1
1 762 . 10 1 1 A 71 71 ILE HA H 71 4.369 5.212 -0.843 1
1 772 . 10 1 1 A 71 71 ILE CA C 71 59.162 60.338 -1.176 1
1 773 . 10 1 1 A 71 71 ILE CB C 71 36.826 38.014 -1.188 1
1 777 . 10 1 1 A 71 71 ILE N N 71 127.838 127.772 0.066 1
1 778 . 10 1 1 A 72 72 TRP H H 72 9.270 9.350 -0.080 1
1 779 . 10 1 1 A 72 72 TRP HA H 72 5.167 5.124 0.043 1
1 788 . 10 1 1 A 72 72 TRP CA C 72 56.180 57.568 -1.388 1
1 789 . 10 1 1 A 72 72 TRP CB C 72 31.490 30.966 0.524 1
1 795 . 10 1 1 A 72 72 TRP N N 72 127.112 129.218 -2.106 1
1 797 . 10 1 1 A 73 73 ALA H H 73 9.010 9.066 -0.056 1
1 798 . 10 1 1 A 73 73 ALA HA H 73 4.617 4.887 -0.270 1
1 802 . 10 1 1 A 73 73 ALA CA C 73 52.110 50.717 1.393 1
1 803 . 10 1 1 A 73 73 ALA CB C 73 19.070 21.243 -2.173 1
1 804 . 10 1 1 A 73 73 ALA N N 73 122.140 124.083 -1.943 1
1 805 . 10 1 1 A 74 74 ALA H H 74 9.002 8.906 0.096 1
1 806 . 10 1 1 A 74 74 ALA HA H 74 4.042 4.071 -0.029 1
1 810 . 10 1 1 A 74 74 ALA CA C 74 54.650 55.366 -0.716 1
1 811 . 10 1 1 A 74 74 ALA CB C 74 18.070 18.397 -0.327 1
1 812 . 10 1 1 A 74 74 ALA N N 74 123.213 121.940 1.273 1
1 813 . 10 1 1 A 75 75 ASN H H 75 8.162 7.553 0.609 1
1 814 . 10 1 1 A 75 75 ASN HA H 75 5.015 5.056 -0.041 1
1 819 . 10 1 1 A 75 75 ASN CA C 75 51.650 52.822 -1.172 1
1 820 . 10 1 1 A 75 75 ASN CB C 75 36.590 39.264 -2.674 1
1 821 . 10 1 1 A 75 75 ASN N N 75 112.259 114.469 -2.210 1
1 823 . 10 1 1 A 76 76 ALA H H 76 7.605 7.535 0.070 1
1 824 . 10 1 1 A 76 76 ALA HA H 76 4.281 4.264 0.017 1
1 828 . 10 1 1 A 76 76 ALA CA C 76 53.203 53.299 -0.096 1
1 829 . 10 1 1 A 76 76 ALA CB C 76 20.210 19.339 0.871 1
1 830 . 10 1 1 A 76 76 ALA N N 76 120.777 122.795 -2.018 1
1 831 . 10 1 1 A 77 77 GLY H H 77 8.449 8.016 0.433 1
1 832 . 10 1 1 A 77 77 GLY HA2 H 77 3.960 3.851 0.109 1
1 833 . 10 1 1 A 77 77 GLY HA3 H 77 3.537 3.878 -0.341 1
1 834 . 10 1 1 A 77 77 GLY CA C 77 45.410 44.835 0.575 1
1 835 . 10 1 1 A 77 77 GLY N N 77 107.064 107.101 -0.037 1
1 836 . 10 1 1 A 78 78 VAL H H 78 7.286 7.449 -0.163 1
1 837 . 10 1 1 A 78 78 VAL HA H 78 3.804 4.035 -0.231 1
1 845 . 10 1 1 A 78 78 VAL CA C 78 60.736 61.679 -0.943 1
1 846 . 10 1 1 A 78 78 VAL CB C 78 33.590 32.613 0.977 1
1 849 . 10 1 1 A 78 78 VAL N N 78 120.566 118.919 1.647 1
1 850 . 10 1 1 A 79 79 THR H H 79 8.148 8.295 -0.147 1
1 851 . 10 1 1 A 79 79 THR HA H 79 4.145 4.154 -0.009 1
1 856 . 10 1 1 A 79 79 THR CA C 79 61.395 64.086 -2.691 1
1 857 . 10 1 1 A 79 79 THR CB C 79 69.620 68.846 0.774 1
1 859 . 10 1 1 A 79 79 THR N N 79 121.617 118.518 3.099 1
1 860 . 10 1 1 A 80 80 ALA H H 80 8.593 8.539 0.054 1
1 861 . 10 1 1 A 80 80 ALA HA H 80 3.703 4.074 -0.371 1
1 865 . 10 1 1 A 80 80 ALA CA C 80 53.410 54.869 -1.459 1
1 866 . 10 1 1 A 80 80 ALA CB C 80 19.180 18.782 0.398 1
1 867 . 10 1 1 A 80 80 ALA N N 80 126.311 128.374 -2.063 1
1 868 . 10 1 1 A 81 81 SER H H 81 9.101 7.850 1.251 1
1 869 . 10 1 1 A 81 81 SER HA H 81 4.747 4.809 -0.062 1
1 872 . 10 1 1 A 81 81 SER CA C 81 55.046 55.911 -0.865 1
1 873 . 10 1 1 A 81 81 SER CB C 81 62.680 63.623 -0.943 1
1 874 . 10 1 1 A 81 81 SER N N 81 114.816 111.159 3.657 1
1 875 . 10 1 1 A 82 82 PRO HA H 82 4.328 4.316 0.012 1
1 882 . 10 1 1 A 82 82 PRO CA C 82 62.158 65.067 -2.909 1
1 883 . 10 1 1 A 82 82 PRO CB C 82 30.480 31.800 -1.320 1
1 886 . 10 1 1 A 83 83 PRO HA H 83 4.821 4.603 0.218 1
1 893 . 10 1 1 A 83 83 PRO CA C 83 64.384 63.348 1.036 1
1 894 . 10 1 1 A 83 83 PRO CB C 83 34.750 31.927 2.823 1
1 897 . 10 1 1 A 84 84 THR H H 84 8.007 8.112 -0.105 1
1 898 . 10 1 1 A 84 84 THR HA H 84 4.567 3.955 0.612 1
1 903 . 10 1 1 A 84 84 THR CA C 84 64.770 65.082 -0.312 1
1 904 . 10 1 1 A 84 84 THR CB C 84 69.370 68.369 1.001 1
1 906 . 10 1 1 A 84 84 THR N N 84 114.629 112.445 2.184 1
1 907 . 10 1 1 A 85 85 ASP H H 85 7.952 7.891 0.061 1
1 908 . 10 1 1 A 85 85 ASP HA H 85 5.950 5.091 0.859 1
1 911 . 10 1 1 A 85 85 ASP CA C 85 54.110 53.430 0.680 1
1 912 . 10 1 1 A 85 85 ASP CB C 85 43.510 42.508 1.002 1
1 913 . 10 1 1 A 85 85 ASP N N 85 124.539 120.360 4.179 1
1 914 . 10 1 1 A 86 86 LEU H H 86 9.271 9.232 0.039 1
1 915 . 10 1 1 A 86 86 LEU HA H 86 4.953 4.995 -0.042 1
1 925 . 10 1 1 A 86 86 LEU CA C 86 52.230 54.377 -2.147 1
1 926 . 10 1 1 A 86 86 LEU CB C 86 44.070 44.324 -0.254 1
1 930 . 10 1 1 A 86 86 LEU N N 86 124.265 119.890 4.375 1
1 931 . 10 1 1 A 87 87 ILE H H 87 8.691 8.838 -0.147 1
1 932 . 10 1 1 A 87 87 ILE HA H 87 4.802 4.741 0.061 1
1 942 . 10 1 1 A 87 87 ILE CA C 87 58.694 60.755 -2.061 1
1 943 . 10 1 1 A 87 87 ILE CB C 87 37.945 38.048 -0.103 1
1 947 . 10 1 1 A 87 87 ILE N N 87 119.475 125.776 -6.301 1
1 948 . 10 1 1 A 88 88 TRP H H 88 9.755 9.366 0.389 1
1 949 . 10 1 1 A 88 88 TRP HA H 88 4.918 4.451 0.467 1
1 958 . 10 1 1 A 88 88 TRP CA C 88 54.900 55.789 -0.889 1
1 959 . 10 1 1 A 88 88 TRP CB C 88 27.270 28.983 -1.713 1
1 965 . 10 1 1 A 88 88 TRP N N 88 132.610 130.370 2.240 1
1 967 . 10 1 1 A 89 89 LYS H H 89 8.282 8.584 -0.302 1
1 968 . 10 1 1 A 89 89 LYS HA H 89 3.996 4.380 -0.384 1
1 977 . 10 1 1 A 89 89 LYS CA C 89 58.847 55.970 2.877 1
1 978 . 10 1 1 A 89 89 LYS CB C 89 32.360 32.144 0.216 1
1 982 . 10 1 1 A 89 89 LYS N N 89 125.513 127.521 -2.008 1
1 983 . 10 1 1 A 90 90 ASN H H 90 8.810 7.587 1.223 1
1 984 . 10 1 1 A 90 90 ASN HA H 90 4.434 4.657 -0.223 1
1 989 . 10 1 1 A 90 90 ASN CA C 90 54.010 53.814 0.196 1
1 990 . 10 1 1 A 90 90 ASN CB C 90 37.770 39.145 -1.375 1
1 991 . 10 1 1 A 90 90 ASN N N 90 114.946 115.730 -0.784 1
1 993 . 10 1 1 A 91 91 GLN H H 91 7.546 7.066 0.480 1
1 994 . 10 1 1 A 91 91 GLN HA H 91 4.412 4.521 -0.109 1
1 1001 . 10 1 1 A 91 91 GLN CA C 91 53.520 54.786 -1.266 1
1 1002 . 10 1 1 A 91 91 GLN CB C 91 28.470 30.838 -2.368 1
1 1004 . 10 1 1 A 91 91 GLN N N 91 117.746 117.849 -0.103 1
1 1006 . 10 1 1 A 92 92 ASN H H 92 8.451 8.648 -0.197 1
1 1007 . 10 1 1 A 92 92 ASN HA H 92 4.876 4.449 0.427 1
1 1012 . 10 1 1 A 92 92 ASN CA C 92 52.080 56.006 -3.926 1
1 1013 . 10 1 1 A 92 92 ASN CB C 92 39.400 39.709 -0.309 1
1 1014 . 10 1 1 A 92 92 ASN N N 92 123.697 122.961 0.736 1
1 1016 . 10 1 1 A 93 93 SER H H 93 9.337 7.502 1.835 1
1 1017 . 10 1 1 A 93 93 SER HA H 93 3.977 4.685 -0.708 1
1 1020 . 10 1 1 A 93 93 SER CA C 93 58.940 57.006 1.934 1
1 1021 . 10 1 1 A 93 93 SER CB C 93 62.940 64.415 -1.475 1
1 1022 . 10 1 1 A 93 93 SER N N 93 117.010 108.448 8.562 1
1 1023 . 10 1 1 A 94 94 TRP H H 94 7.857 8.036 -0.179 1
1 1024 . 10 1 1 A 94 94 TRP HA H 94 4.905 4.711 0.194 1
1 1033 . 10 1 1 A 94 94 TRP CA C 94 56.770 57.759 -0.989 1
1 1034 . 10 1 1 A 94 94 TRP CB C 94 27.900 30.132 -2.232 1
1 1039 . 10 1 1 A 94 94 TRP N N 94 120.449 121.010 -0.561 1
1 1041 . 10 1 1 A 95 95 GLY H H 95 7.795 7.645 0.150 1
1 1042 . 10 1 1 A 95 95 GLY HA2 H 95 3.953 3.700 0.253 1
1 1043 . 10 1 1 A 95 95 GLY HA3 H 95 3.763 3.800 -0.037 1
1 1044 . 10 1 1 A 95 95 GLY CA C 95 45.487 47.039 -1.552 1
1 1045 . 10 1 1 A 95 95 GLY N N 95 109.481 109.967 -0.486 1
1 1046 . 10 1 1 A 96 96 THR H H 96 8.028 7.808 0.220 1
1 1047 . 10 1 1 A 96 96 THR HA H 96 4.696 4.625 0.071 1
1 1052 . 10 1 1 A 96 96 THR CA C 96 60.880 60.186 0.694 1
1 1053 . 10 1 1 A 96 96 THR CB C 96 70.040 71.707 -1.667 1
1 1055 . 10 1 1 A 96 96 THR N N 96 112.538 113.435 -0.897 1
1 1056 . 10 1 1 A 97 97 GLY H H 97 8.443 8.703 -0.260 1
1 1057 . 10 1 1 A 97 97 GLY HA2 H 97 3.482 3.922 -0.440 1
1 1058 . 10 1 1 A 97 97 GLY HA3 H 97 3.862 3.922 -0.060 1
1 1059 . 10 1 1 A 97 97 GLY CA C 97 45.945 47.383 -1.438 1
1 1060 . 10 1 1 A 97 97 GLY N N 97 111.464 116.861 -5.397 1
1 1061 . 10 1 1 A 98 98 GLU H H 98 8.010 8.157 -0.147 1
1 1062 . 10 1 1 A 98 98 GLU HA H 98 4.471 4.660 -0.189 1
1 1067 . 10 1 1 A 98 98 GLU CA C 98 54.730 55.844 -1.114 1
1 1068 . 10 1 1 A 98 98 GLU CB C 98 30.719 31.291 -0.572 1
1 1070 . 10 1 1 A 98 98 GLU N N 98 118.563 123.830 -5.267 1
1 1071 . 10 1 1 A 99 99 ASP H H 99 8.680 8.649 0.031 1
1 1072 . 10 1 1 A 99 99 ASP HA H 99 4.612 4.496 0.116 1
1 1075 . 10 1 1 A 99 99 ASP CA C 99 54.451 54.063 0.388 1
1 1076 . 10 1 1 A 99 99 ASP CB C 99 39.540 40.839 -1.299 1
1 1077 . 10 1 1 A 99 99 ASP N N 99 122.219 121.903 0.316 1
1 1078 . 10 1 1 A 100 100 VAL H H 100 8.215 8.545 -0.330 1
1 1079 . 10 1 1 A 100 100 VAL HA H 100 4.495 4.586 -0.091 1
1 1087 . 10 1 1 A 100 100 VAL CA C 100 60.920 62.208 -1.288 1
1 1088 . 10 1 1 A 100 100 VAL CB C 100 34.150 32.586 1.564 1
1 1091 . 10 1 1 A 100 100 VAL N N 100 123.901 124.298 -0.397 1
1 1092 . 10 1 1 A 101 101 LYS H H 101 8.600 8.692 -0.092 1
1 1093 . 10 1 1 A 101 101 LYS HA H 101 5.112 5.006 0.106 1
1 1102 . 10 1 1 A 101 101 LYS CA C 101 54.718 54.594 0.124 1
1 1103 . 10 1 1 A 101 101 LYS CB C 101 35.326 35.898 -0.572 1
1 1107 . 10 1 1 A 101 101 LYS N N 101 126.635 128.935 -2.300 1
1 1108 . 10 1 1 A 102 102 VAL H H 102 9.209 8.877 0.332 1
1 1109 . 10 1 1 A 102 102 VAL HA H 102 5.405 4.576 0.829 1
1 1117 . 10 1 1 A 102 102 VAL CA C 102 59.950 61.732 -1.782 1
1 1118 . 10 1 1 A 102 102 VAL CB C 102 34.420 32.963 1.457 1
1 1121 . 10 1 1 A 102 102 VAL N N 102 125.573 127.530 -1.957 1
1 1122 . 10 1 1 A 103 103 ILE H H 103 8.968 9.251 -0.283 1
1 1123 . 10 1 1 A 103 103 ILE HA H 103 4.671 4.792 -0.121 1
1 1133 . 10 1 1 A 103 103 ILE CA C 103 59.790 59.786 0.004 1
1 1134 . 10 1 1 A 103 103 ILE CB C 103 42.522 40.129 2.393 1
1 1138 . 10 1 1 A 103 103 ILE N N 103 125.593 128.109 -2.516 1
1 1139 . 10 1 1 A 104 104 LEU H H 104 9.017 9.047 -0.030 1
1 1140 . 10 1 1 A 104 104 LEU HA H 104 5.361 5.173 0.188 1
1 1150 . 10 1 1 A 104 104 LEU CA C 104 52.800 53.820 -1.020 1
1 1151 . 10 1 1 A 104 104 LEU CB C 104 46.200 43.179 3.021 1
1 1155 . 10 1 1 A 104 104 LEU N N 104 127.791 127.203 0.588 1
1 1156 . 10 1 1 A 105 105 LYS H H 105 9.674 9.054 0.620 1
1 1157 . 10 1 1 A 105 105 LYS HA H 105 5.194 4.996 0.198 1
1 1166 . 10 1 1 A 105 105 LYS CA C 105 53.780 54.183 -0.403 1
1 1167 . 10 1 1 A 105 105 LYS CB C 105 36.330 35.383 0.947 1
1 1171 . 10 1 1 A 105 105 LYS N N 105 126.536 124.455 2.081 1
1 1172 . 10 1 1 A 106 106 ASN H H 106 7.774 8.933 -1.159 1
1 1173 . 10 1 1 A 106 106 ASN HA H 106 2.714 4.777 -2.063 1
1 1178 . 10 1 1 A 106 106 ASN CA C 106 49.530 51.250 -1.720 1
1 1179 . 10 1 1 A 106 106 ASN CB C 106 36.940 38.855 -1.915 1
1 1180 . 10 1 1 A 106 106 ASN N N 106 116.550 119.483 -2.933 1
1 1182 . 10 1 1 A 107 107 SER H H 107 6.988 8.790 -1.802 1
1 1183 . 10 1 1 A 107 107 SER HA H 107 4.092 4.233 -0.141 1
1 1186 . 10 1 1 A 107 107 SER CA C 107 60.490 60.822 -0.332 1
1 1187 . 10 1 1 A 107 107 SER CB C 107 62.510 62.700 -0.190 1
1 1188 . 10 1 1 A 107 107 SER N N 107 112.400 120.119 -7.719 1
1 1189 . 10 1 1 A 108 108 GLN H H 108 7.414 8.568 -1.154 1
1 1190 . 10 1 1 A 108 108 GLN HA H 108 4.404 4.072 0.332 1
1 1197 . 10 1 1 A 108 108 GLN CA C 108 55.470 56.980 -1.510 1
1 1198 . 10 1 1 A 108 108 GLN CB C 108 28.400 29.238 -0.838 1
1 1200 . 10 1 1 A 108 108 GLN N N 108 119.000 119.348 -0.348 1
1 1202 . 10 1 1 A 109 109 GLY H H 109 7.835 7.401 0.434 1
1 1203 . 10 1 1 A 109 109 GLY HA2 H 109 4.136 4.011 0.125 1
1 1204 . 10 1 1 A 109 109 GLY HA3 H 109 3.530 4.013 -0.483 1
1 1205 . 10 1 1 A 109 109 GLY CA C 109 45.549 45.342 0.207 1
1 1206 . 10 1 1 A 109 109 GLY N N 109 107.333 106.195 1.138 1
1 1207 . 10 1 1 A 110 110 GLU H H 110 7.562 8.014 -0.452 1
1 1208 . 10 1 1 A 110 110 GLU HA H 110 4.209 4.320 -0.111 1
1 1213 . 10 1 1 A 110 110 GLU CA C 110 54.320 56.583 -2.263 1
1 1214 . 10 1 1 A 110 110 GLU CB C 110 29.760 30.146 -0.386 1
1 1216 . 10 1 1 A 110 110 GLU N N 110 120.137 120.400 -0.263 1
1 1217 . 10 1 1 A 111 111 GLU H H 111 8.799 8.397 0.402 1
1 1218 . 10 1 1 A 111 111 GLU HA H 111 4.194 5.101 -0.907 1
1 1223 . 10 1 1 A 111 111 GLU CA C 111 57.160 54.895 2.265 1
1 1224 . 10 1 1 A 111 111 GLU CB C 111 29.175 32.987 -3.812 1
1 1226 . 10 1 1 A 111 111 GLU N N 111 123.867 123.685 0.182 1
1 1227 . 10 1 1 A 112 112 VAL H H 112 9.093 8.971 0.122 1
1 1228 . 10 1 1 A 112 112 VAL HA H 112 4.330 4.037 0.293 1
1 1236 . 10 1 1 A 112 112 VAL CA C 112 61.529 64.001 -2.472 1
1 1237 . 10 1 1 A 112 112 VAL CB C 112 33.230 32.222 1.008 1
1 1240 . 10 1 1 A 112 112 VAL N N 112 122.642 126.574 -3.932 1
1 1241 . 10 1 1 A 113 113 ALA H H 113 7.793 7.813 -0.020 1
1 1242 . 10 1 1 A 113 113 ALA HA H 113 4.770 4.767 0.003 1
1 1246 . 10 1 1 A 113 113 ALA CA C 113 52.449 50.824 1.625 1
1 1247 . 10 1 1 A 113 113 ALA CB C 113 22.400 23.570 -1.170 1
1 1248 . 10 1 1 A 113 113 ALA N N 113 121.070 118.761 2.309 1
1 1249 . 10 1 1 A 114 114 GLN H H 114 8.450 8.986 -0.536 1
1 1250 . 10 1 1 A 114 114 GLN HA H 114 5.404 5.543 -0.139 1
1 1257 . 10 1 1 A 114 114 GLN CA C 114 54.830 54.291 0.539 1
1 1258 . 10 1 1 A 114 114 GLN CB C 114 32.307 32.812 -0.505 1
1 1260 . 10 1 1 A 114 114 GLN N N 114 115.851 115.706 0.145 1
1 1262 . 10 1 1 A 115 115 ARG H H 115 8.989 8.488 0.501 1
1 1263 . 10 1 1 A 115 115 ARG HA H 115 4.555 4.836 -0.281 1
1 1270 . 10 1 1 A 115 115 ARG CA C 115 56.350 55.487 0.863 1
1 1271 . 10 1 1 A 115 115 ARG CB C 115 33.730 34.511 -0.781 1
1 1274 . 10 1 1 A 115 115 ARG N N 115 122.920 121.623 1.297 1
1 1275 . 10 1 1 A 116 116 SER H H 116 8.511 9.054 -0.543 1
1 1276 . 10 1 1 A 116 116 SER HA H 116 5.756 5.300 0.456 1
1 1279 . 10 1 1 A 116 116 SER CA C 116 56.400 56.550 -0.150 1
1 1280 . 10 1 1 A 116 116 SER CB C 116 65.770 65.404 0.366 1
1 1281 . 10 1 1 A 116 116 SER N N 116 119.807 118.881 0.926 1
1 1282 . 10 1 1 A 117 117 THR H H 117 8.801 8.455 0.346 1
1 1283 . 10 1 1 A 117 117 THR HA H 117 4.378 4.842 -0.464 1
1 1288 . 10 1 1 A 117 117 THR CA C 117 62.160 59.879 2.281 1
1 1289 . 10 1 1 A 117 117 THR CB C 117 70.010 71.783 -1.773 1
1 1291 . 10 1 1 A 117 117 THR N N 117 116.435 108.911 7.524 1
1 1292 . 10 1 1 A 118 118 VAL H H 118 8.165 8.588 -0.423 1
1 1293 . 10 1 1 A 118 118 VAL HA H 118 4.227 4.123 0.104 1
1 1301 . 10 1 1 A 118 118 VAL CA C 118 61.320 62.499 -1.179 1
1 1302 . 10 1 1 A 118 118 VAL CB C 118 32.931 32.019 0.912 1
1 1305 . 10 1 1 A 118 118 VAL N N 118 122.111 121.049 1.062 1
1 1306 . 10 1 1 A 119 119 PHE H H 119 8.580 8.947 -0.367 1
1 1307 . 10 1 1 A 119 119 PHE HA H 119 4.655 4.766 -0.111 1
1 1314 . 10 1 1 A 119 119 PHE CA C 119 57.520 58.430 -0.910 1
1 1315 . 10 1 1 A 119 119 PHE CB C 119 39.550 39.693 -0.143 1
1 1320 . 10 1 1 A 119 119 PHE N N 119 126.006 125.540 0.466 1
1 1321 . 10 1 1 A 120 120 LYS H H 120 8.346 8.965 -0.619 1
1 1322 . 10 1 1 A 120 120 LYS HA H 120 4.432 4.871 -0.439 1
1 1331 . 10 1 1 A 120 120 LYS CA C 120 55.740 54.888 0.852 1
1 1332 . 10 1 1 A 120 120 LYS CB C 120 33.290 34.969 -1.679 1
1 1336 . 10 1 1 A 120 120 LYS N N 120 124.095 123.327 0.768 1
1 1337 . 10 1 1 A 121 121 THR H H 121 8.294 8.700 -0.406 1
1 1338 . 10 1 1 A 121 121 THR HA H 121 4.394 4.503 -0.109 1
1 1343 . 10 1 1 A 121 121 THR CA C 121 61.610 62.182 -0.572 1
1 1344 . 10 1 1 A 121 121 THR CB C 121 69.640 67.213 2.427 1
1 1346 . 10 1 1 A 121 121 THR N N 121 116.359 119.557 -3.198 1
1 1 . 11 1 1 A 3 3 HIS H H 3 8.528 7.978 0.550 1
1 2 . 11 1 1 A 3 3 HIS HA H 3 4.626 4.980 -0.354 1
1 5 . 11 1 1 A 3 3 HIS CA C 3 55.260 53.964 1.296 1
1 6 . 11 1 1 A 3 3 HIS CB C 3 29.250 31.337 -2.087 1
1 7 . 11 1 1 A 3 3 HIS N N 3 118.990 120.040 -1.050 1
1 8 . 11 1 1 A 4 4 HIS H H 4 8.528 8.055 0.473 1
1 9 . 11 1 1 A 4 4 HIS HA H 4 4.624 5.221 -0.597 1
1 12 . 11 1 1 A 4 4 HIS CA C 4 55.277 53.644 1.633 1
1 13 . 11 1 1 A 4 4 HIS CB C 4 29.002 33.016 -4.014 1
1 14 . 11 1 1 A 4 4 HIS N N 4 118.990 121.275 -2.285 1
1 15 . 11 1 1 A 5 5 HIS H H 5 8.579 8.850 -0.271 1
1 16 . 11 1 1 A 5 5 HIS HA H 5 4.737 4.929 -0.192 1
1 19 . 11 1 1 A 5 5 HIS CA C 5 55.330 54.265 1.065 1
1 20 . 11 1 1 A 5 5 HIS CB C 5 29.257 32.037 -2.780 1
1 21 . 11 1 1 A 5 5 HIS N N 5 119.720 116.332 3.388 1
1 22 . 11 1 1 A 6 6 HIS H H 6 8.603 8.776 -0.173 1
1 23 . 11 1 1 A 6 6 HIS HA H 6 4.674 4.607 0.067 1
1 26 . 11 1 1 A 6 6 HIS CA C 6 55.150 56.068 -0.918 1
1 27 . 11 1 1 A 6 6 HIS CB C 6 27.340 30.068 -2.728 1
1 28 . 11 1 1 A 6 6 HIS N N 6 121.420 122.147 -0.727 1
1 29 . 11 1 1 A 7 7 HIS H H 7 8.706 8.859 -0.153 1
1 30 . 11 1 1 A 7 7 HIS HA H 7 4.658 5.149 -0.491 1
1 33 . 11 1 1 A 7 7 HIS CA C 7 55.100 55.129 -0.029 1
1 34 . 11 1 1 A 7 7 HIS CB C 7 29.300 33.499 -4.199 1
1 35 . 11 1 1 A 7 7 HIS N N 7 121.200 123.444 -2.244 1
1 36 . 11 1 1 A 8 8 HIS H H 8 8.706 8.728 -0.022 1
1 37 . 11 1 1 A 8 8 HIS HA H 8 4.706 5.669 -0.963 1
1 40 . 11 1 1 A 8 8 HIS CA C 8 55.156 54.057 1.099 1
1 41 . 11 1 1 A 8 8 HIS CB C 8 29.396 33.741 -4.345 1
1 42 . 11 1 1 A 8 8 HIS N N 8 121.200 120.244 0.956 1
1 43 . 11 1 1 A 9 9 SER H H 9 8.551 8.674 -0.123 1
1 44 . 11 1 1 A 9 9 SER HA H 9 4.450 4.904 -0.454 1
1 47 . 11 1 1 A 9 9 SER CA C 9 58.200 57.858 0.342 1
1 48 . 11 1 1 A 9 9 SER CB C 9 63.740 65.973 -2.233 1
1 49 . 11 1 1 A 9 9 SER N N 9 118.046 113.479 4.567 1
1 50 . 11 1 1 A 10 10 HIS H H 10 8.770 8.791 -0.021 1
1 51 . 11 1 1 A 10 10 HIS HA H 10 4.726 4.790 -0.064 1
1 54 . 11 1 1 A 10 10 HIS CA C 10 55.640 55.617 0.023 1
1 55 . 11 1 1 A 10 10 HIS CB C 10 29.172 28.741 0.431 1
1 56 . 11 1 1 A 10 10 HIS N N 10 120.412 124.462 -4.050 1
1 57 . 11 1 1 A 11 11 MET H H 11 8.528 8.558 -0.030 1
1 58 . 11 1 1 A 11 11 MET HA H 11 4.658 4.733 -0.075 1
1 66 . 11 1 1 A 11 11 MET CA C 11 55.438 53.789 1.649 1
1 67 . 11 1 1 A 11 11 MET CB C 11 33.090 33.692 -0.602 1
1 70 . 11 1 1 A 11 11 MET N N 11 122.400 124.392 -1.992 1
1 71 . 11 1 1 A 12 12 THR H H 12 8.339 8.902 -0.563 1
1 72 . 11 1 1 A 12 12 THR HA H 12 4.450 3.958 0.492 1
1 77 . 11 1 1 A 12 12 THR CA C 12 61.810 64.691 -2.881 1
1 78 . 11 1 1 A 12 12 THR CB C 12 70.450 69.704 0.746 1
1 80 . 11 1 1 A 12 12 THR N N 12 115.700 119.429 -3.729 1
1 81 . 11 1 1 A 13 13 GLY H H 13 8.426 8.032 0.394 1
1 82 . 11 1 1 A 13 13 GLY HA2 H 13 4.287 4.076 0.211 1
1 83 . 11 1 1 A 13 13 GLY HA3 H 13 3.877 4.218 -0.341 1
1 84 . 11 1 1 A 13 13 GLY CA C 13 45.243 46.911 -1.668 1
1 85 . 11 1 1 A 13 13 GLY N N 13 110.872 109.269 1.603 1
1 86 . 11 1 1 A 14 14 ASN H H 14 8.374 8.164 0.210 1
1 87 . 11 1 1 A 14 14 ASN HA H 14 4.720 5.007 -0.287 1
1 92 . 11 1 1 A 14 14 ASN CA C 14 54.200 52.612 1.588 1
1 93 . 11 1 1 A 14 14 ASN CB C 14 39.210 37.774 1.436 1
1 94 . 11 1 1 A 14 14 ASN N N 14 117.789 119.348 -1.559 1
1 96 . 11 1 1 A 15 15 VAL H H 15 7.890 8.499 -0.609 1
1 97 . 11 1 1 A 15 15 VAL HA H 15 4.843 4.816 0.027 1
1 105 . 11 1 1 A 15 15 VAL CA C 15 61.759 60.323 1.436 1
1 106 . 11 1 1 A 15 15 VAL CB C 15 33.230 34.929 -1.699 1
1 109 . 11 1 1 A 15 15 VAL N N 15 118.720 124.294 -5.574 1
1 110 . 11 1 1 A 16 16 CYS H H 16 9.060 9.145 -0.085 1
1 111 . 11 1 1 A 16 16 CYS HA H 16 4.899 5.254 -0.355 1
1 114 . 11 1 1 A 16 16 CYS CA C 16 54.620 57.751 -3.131 1
1 115 . 11 1 1 A 16 16 CYS CB C 16 30.900 31.785 -0.885 1
1 116 . 11 1 1 A 16 16 CYS N N 16 122.674 124.060 -1.386 1
1 117 . 11 1 1 A 17 17 ILE H H 17 8.845 8.911 -0.066 1
1 118 . 11 1 1 A 17 17 ILE HA H 17 4.153 4.364 -0.211 1
1 128 . 11 1 1 A 17 17 ILE CA C 17 61.080 60.999 0.081 1
1 129 . 11 1 1 A 17 17 ILE CB C 17 36.397 38.278 -1.881 1
1 133 . 11 1 1 A 17 17 ILE N N 17 122.609 123.451 -0.842 1
1 134 . 11 1 1 A 18 18 GLU H H 18 8.917 8.672 0.245 1
1 135 . 11 1 1 A 18 18 GLU HA H 18 4.230 4.299 -0.069 1
1 140 . 11 1 1 A 18 18 GLU CA C 18 57.160 58.349 -1.189 1
1 141 . 11 1 1 A 18 18 GLU CB C 18 30.550 30.119 0.431 1
1 143 . 11 1 1 A 18 18 GLU N N 18 130.894 128.777 2.117 1
1 144 . 11 1 1 A 19 19 GLU H H 19 7.853 7.267 0.586 1
1 145 . 11 1 1 A 19 19 GLU HA H 19 4.470 4.650 -0.180 1
1 150 . 11 1 1 A 19 19 GLU CA C 19 56.110 56.002 0.108 1
1 151 . 11 1 1 A 19 19 GLU CB C 19 33.847 33.134 0.713 1
1 153 . 11 1 1 A 19 19 GLU N N 19 115.069 118.022 -2.953 1
1 154 . 11 1 1 A 20 20 ILE H H 20 8.744 8.873 -0.129 1
1 155 . 11 1 1 A 20 20 ILE HA H 20 4.080 4.497 -0.417 1
1 165 . 11 1 1 A 20 20 ILE CA C 20 60.619 60.001 0.618 1
1 166 . 11 1 1 A 20 20 ILE CB C 20 39.170 38.836 0.334 1
1 170 . 11 1 1 A 20 20 ILE N N 20 127.309 125.267 2.042 1
1 171 . 11 1 1 A 21 21 ASP H H 21 7.468 8.315 -0.847 1
1 172 . 11 1 1 A 21 21 ASP HA H 21 3.949 4.242 -0.293 1
1 175 . 11 1 1 A 21 21 ASP CA C 21 54.970 54.206 0.764 1
1 176 . 11 1 1 A 21 21 ASP CB C 21 42.170 41.567 0.603 1
1 177 . 11 1 1 A 21 21 ASP N N 21 124.858 127.017 -2.159 1
1 178 . 11 1 1 A 22 22 VAL H H 22 8.650 8.501 0.149 1
1 179 . 11 1 1 A 22 22 VAL HA H 22 3.998 3.914 0.084 1
1 187 . 11 1 1 A 22 22 VAL CA C 22 64.445 64.609 -0.164 1
1 188 . 11 1 1 A 22 22 VAL CB C 22 31.244 31.785 -0.541 1
1 191 . 11 1 1 A 22 22 VAL N N 22 130.172 126.446 3.726 1
1 192 . 11 1 1 A 23 23 ASP H H 23 7.482 7.571 -0.089 1
1 193 . 11 1 1 A 23 23 ASP HA H 23 4.711 4.534 0.177 1
1 196 . 11 1 1 A 23 23 ASP CA C 23 53.920 54.253 -0.333 1
1 197 . 11 1 1 A 23 23 ASP CB C 23 40.100 41.346 -1.246 1
1 198 . 11 1 1 A 23 23 ASP N N 23 118.547 119.638 -1.091 1
1 199 . 11 1 1 A 24 24 GLY H H 24 7.220 7.352 -0.132 1
1 200 . 11 1 1 A 24 24 GLY HA2 H 24 2.950 2.931 0.019 1
1 201 . 11 1 1 A 24 24 GLY HA3 H 24 2.407 3.147 -0.740 1
1 202 . 11 1 1 A 24 24 GLY CA C 24 45.040 44.480 0.560 1
1 203 . 11 1 1 A 24 24 GLY N N 24 105.293 106.658 -1.365 1
1 204 . 11 1 1 A 25 25 LYS H H 25 8.757 7.906 0.851 1
1 205 . 11 1 1 A 25 25 LYS HA H 25 3.964 4.065 -0.101 1
1 214 . 11 1 1 A 25 25 LYS CA C 25 56.590 57.009 -0.419 1
1 215 . 11 1 1 A 25 25 LYS CB C 25 33.660 32.786 0.874 1
1 219 . 11 1 1 A 25 25 LYS N N 25 111.753 118.183 -6.430 1
1 220 . 11 1 1 A 26 26 PHE H H 26 6.380 7.144 -0.764 1
1 221 . 11 1 1 A 26 26 PHE HA H 26 5.753 5.395 0.358 1
1 229 . 11 1 1 A 26 26 PHE CA C 26 56.370 56.196 0.174 1
1 230 . 11 1 1 A 26 26 PHE CB C 26 40.030 40.239 -0.209 1
1 236 . 11 1 1 A 26 26 PHE N N 26 110.097 114.908 -4.811 1
1 237 . 11 1 1 A 27 27 ILE H H 27 8.601 8.880 -0.279 1
1 238 . 11 1 1 A 27 27 ILE HA H 27 4.506 4.855 -0.349 1
1 248 . 11 1 1 A 27 27 ILE CA C 27 60.905 60.847 0.058 1
1 249 . 11 1 1 A 27 27 ILE CB C 27 43.249 40.105 3.144 1
1 253 . 11 1 1 A 27 27 ILE N N 27 119.676 119.926 -0.250 1
1 254 . 11 1 1 A 28 28 ARG H H 28 9.290 8.647 0.643 1
1 255 . 11 1 1 A 28 28 ARG HA H 28 5.561 4.887 0.674 1
1 262 . 11 1 1 A 28 28 ARG CA C 28 54.650 55.452 -0.802 1
1 263 . 11 1 1 A 28 28 ARG CB C 28 34.180 31.677 2.503 1
1 266 . 11 1 1 A 28 28 ARG N N 28 127.516 129.199 -1.683 1
1 267 . 11 1 1 A 29 29 LEU H H 29 9.502 9.337 0.165 1
1 268 . 11 1 1 A 29 29 LEU HA H 29 5.306 5.040 0.266 1
1 278 . 11 1 1 A 29 29 LEU CA C 29 54.010 53.290 0.720 1
1 279 . 11 1 1 A 29 29 LEU CB C 29 44.020 44.450 -0.430 1
1 283 . 11 1 1 A 29 29 LEU N N 29 126.696 128.761 -2.065 1
1 284 . 11 1 1 A 30 30 LYS H H 30 8.641 9.070 -0.429 1
1 285 . 11 1 1 A 30 30 LYS HA H 30 5.108 4.929 0.179 1
1 294 . 11 1 1 A 30 30 LYS CA C 30 54.660 54.654 0.006 1
1 295 . 11 1 1 A 30 30 LYS CB C 30 38.070 35.149 2.921 1
1 299 . 11 1 1 A 30 30 LYS N N 30 118.761 123.164 -4.403 1
1 300 . 11 1 1 A 31 31 ASN H H 31 8.397 8.745 -0.348 1
1 301 . 11 1 1 A 31 31 ASN HA H 31 5.319 4.880 0.439 1
1 306 . 11 1 1 A 31 31 ASN CA C 31 50.690 52.945 -2.255 1
1 307 . 11 1 1 A 31 31 ASN CB C 31 37.490 38.573 -1.083 1
1 308 . 11 1 1 A 31 31 ASN N N 31 123.996 125.273 -1.277 1
1 310 . 11 1 1 A 32 32 THR H H 32 8.455 8.591 -0.136 1
1 311 . 11 1 1 A 32 32 THR HA H 32 4.302 4.565 -0.263 1
1 316 . 11 1 1 A 32 32 THR CA C 32 61.492 61.480 0.012 1
1 317 . 11 1 1 A 32 32 THR CB C 32 68.110 69.104 -0.994 1
1 319 . 11 1 1 A 32 32 THR N N 32 115.755 117.262 -1.507 1
1 320 . 11 1 1 A 33 33 SER H H 33 8.487 8.001 0.486 1
1 321 . 11 1 1 A 33 33 SER HA H 33 4.793 4.423 0.370 1
1 324 . 11 1 1 A 33 33 SER CA C 33 57.500 57.759 -0.259 1
1 325 . 11 1 1 A 33 33 SER CB C 33 66.510 65.130 1.380 1
1 326 . 11 1 1 A 33 33 SER N N 33 120.037 119.244 0.793 1
1 327 . 11 1 1 A 34 34 GLU H H 34 8.355 8.827 -0.472 1
1 328 . 11 1 1 A 34 34 GLU HA H 34 4.335 4.306 0.029 1
1 333 . 11 1 1 A 34 34 GLU CA C 34 55.840 57.737 -1.897 1
1 334 . 11 1 1 A 34 34 GLU CB C 34 28.930 30.881 -1.951 1
1 336 . 11 1 1 A 34 34 GLU N N 34 116.545 121.312 -4.767 1
1 337 . 11 1 1 A 35 35 GLN H H 35 8.634 7.644 0.990 1
1 338 . 11 1 1 A 35 35 GLN HA H 35 4.664 4.810 -0.146 1
1 345 . 11 1 1 A 35 35 GLN CA C 35 53.740 54.398 -0.658 1
1 346 . 11 1 1 A 35 35 GLN CB C 35 31.696 32.418 -0.722 1
1 348 . 11 1 1 A 35 35 GLN N N 35 120.013 119.583 0.430 1
1 350 . 11 1 1 A 36 36 ASP H H 36 8.859 8.598 0.261 1
1 351 . 11 1 1 A 36 36 ASP HA H 36 4.050 4.699 -0.649 1
1 354 . 11 1 1 A 36 36 ASP CA C 36 54.640 55.103 -0.463 1
1 355 . 11 1 1 A 36 36 ASP CB C 36 40.120 40.921 -0.801 1
1 356 . 11 1 1 A 36 36 ASP N N 36 124.552 122.546 2.006 1
1 357 . 11 1 1 A 37 37 GLN H H 37 8.141 8.639 -0.498 1
1 358 . 11 1 1 A 37 37 GLN HA H 37 4.786 4.775 0.011 1
1 365 . 11 1 1 A 37 37 GLN CA C 37 50.858 52.275 -1.417 1
1 366 . 11 1 1 A 37 37 GLN CB C 37 31.860 31.012 0.848 1
1 368 . 11 1 1 A 37 37 GLN N N 37 120.015 122.327 -2.312 1
1 370 . 11 1 1 A 38 38 PRO HA H 38 4.367 4.446 -0.079 1
1 377 . 11 1 1 A 38 38 PRO CA C 38 63.330 63.416 -0.086 1
1 378 . 11 1 1 A 38 38 PRO CB C 38 31.750 32.286 -0.536 1
1 381 . 11 1 1 A 39 39 MET H H 39 8.392 8.226 0.166 1
1 382 . 11 1 1 A 39 39 MET HA H 39 2.792 4.199 -1.407 1
1 390 . 11 1 1 A 39 39 MET CA C 39 53.780 56.971 -3.191 1
1 391 . 11 1 1 A 39 39 MET CB C 39 34.410 32.666 1.744 1
1 394 . 11 1 1 A 39 39 MET N N 39 124.427 118.205 6.222 1
1 395 . 11 1 1 A 40 40 GLY H H 40 7.940 8.116 -0.176 1
1 396 . 11 1 1 A 40 40 GLY HA2 H 40 4.154 4.112 0.042 1
1 397 . 11 1 1 A 40 40 GLY HA3 H 40 3.763 4.212 -0.449 1
1 398 . 11 1 1 A 40 40 GLY CA C 40 48.114 43.660 4.454 1
1 399 . 11 1 1 A 40 40 GLY N N 40 108.664 106.875 1.789 1
1 400 . 11 1 1 A 41 41 GLY H H 41 7.959 8.583 -0.624 1
1 401 . 11 1 1 A 41 41 GLY HA2 H 41 4.323 4.108 0.215 1
1 402 . 11 1 1 A 41 41 GLY HA3 H 41 3.769 4.173 -0.404 1
1 403 . 11 1 1 A 41 41 GLY CA C 41 46.020 46.444 -0.424 1
1 404 . 11 1 1 A 41 41 GLY N N 41 114.027 108.426 5.601 1
1 405 . 11 1 1 A 42 42 TRP H H 42 8.667 8.886 -0.219 1
1 406 . 11 1 1 A 42 42 TRP HA H 42 4.408 5.046 -0.638 1
1 415 . 11 1 1 A 42 42 TRP CA C 42 58.925 56.783 2.142 1
1 416 . 11 1 1 A 42 42 TRP CB C 42 28.120 31.350 -3.230 1
1 422 . 11 1 1 A 42 42 TRP N N 42 122.097 126.495 -4.398 1
1 424 . 11 1 1 A 43 43 GLU H H 43 8.740 8.902 -0.162 1
1 425 . 11 1 1 A 43 43 GLU HA H 43 5.462 4.994 0.468 1
1 430 . 11 1 1 A 43 43 GLU CA C 43 54.410 54.991 -0.581 1
1 431 . 11 1 1 A 43 43 GLU CB C 43 33.980 32.138 1.842 1
1 433 . 11 1 1 A 43 43 GLU N N 43 120.300 122.572 -2.272 1
1 434 . 11 1 1 A 44 44 MET H H 44 9.658 9.481 0.177 1
1 435 . 11 1 1 A 44 44 MET HA H 44 5.488 5.330 0.158 1
1 443 . 11 1 1 A 44 44 MET CA C 44 53.360 54.022 -0.662 1
1 444 . 11 1 1 A 44 44 MET CB C 44 37.490 33.926 3.564 1
1 447 . 11 1 1 A 44 44 MET N N 44 126.477 127.730 -1.253 1
1 448 . 11 1 1 A 45 45 ILE H H 45 9.658 9.191 0.467 1
1 449 . 11 1 1 A 45 45 ILE HA H 45 4.781 4.520 0.261 1
1 459 . 11 1 1 A 45 45 ILE CA C 45 60.413 60.653 -0.240 1
1 460 . 11 1 1 A 45 45 ILE CB C 45 40.804 38.100 2.704 1
1 464 . 11 1 1 A 45 45 ILE N N 45 127.329 127.106 0.223 1
1 465 . 11 1 1 A 46 46 ARG H H 46 9.217 9.158 0.059 1
1 466 . 11 1 1 A 46 46 ARG HA H 46 5.083 4.661 0.422 1
1 474 . 11 1 1 A 46 46 ARG CA C 46 53.760 55.068 -1.308 1
1 475 . 11 1 1 A 46 46 ARG CB C 46 33.559 31.311 2.248 1
1 478 . 11 1 1 A 46 46 ARG N N 46 126.837 128.923 -2.086 1
1 480 . 11 1 1 A 47 47 LYS H H 47 9.876 8.762 1.114 1
1 481 . 11 1 1 A 47 47 LYS HA H 47 5.257 4.770 0.487 1
1 490 . 11 1 1 A 47 47 LYS CA C 47 55.260 55.717 -0.457 1
1 491 . 11 1 1 A 47 47 LYS CB C 47 34.860 31.359 3.501 1
1 495 . 11 1 1 A 47 47 LYS N N 47 132.271 127.200 5.071 1
1 496 . 11 1 1 A 48 48 ILE H H 48 7.909 8.305 -0.396 1
1 497 . 11 1 1 A 48 48 ILE HA H 48 4.360 4.536 -0.176 1
1 507 . 11 1 1 A 48 48 ILE CA C 48 61.132 60.028 1.104 1
1 508 . 11 1 1 A 48 48 ILE CB C 48 40.316 39.517 0.799 1
1 512 . 11 1 1 A 48 48 ILE N N 48 125.793 125.164 0.629 1
1 513 . 11 1 1 A 49 49 GLY H H 49 9.576 9.020 0.556 1
1 514 . 11 1 1 A 49 49 GLY HA2 H 49 4.021 3.916 0.105 1
1 515 . 11 1 1 A 49 49 GLY HA3 H 49 3.730 3.919 -0.189 1
1 516 . 11 1 1 A 49 49 GLY CA C 49 46.910 46.289 0.621 1
1 517 . 11 1 1 A 49 49 GLY N N 49 120.665 116.768 3.897 1
1 518 . 11 1 1 A 50 50 ASP H H 50 8.935 8.558 0.377 1
1 519 . 11 1 1 A 50 50 ASP HA H 50 4.777 4.600 0.177 1
1 522 . 11 1 1 A 50 50 ASP CA C 50 54.000 56.123 -2.123 1
1 523 . 11 1 1 A 50 50 ASP CB C 50 40.520 40.480 0.040 1
1 524 . 11 1 1 A 50 50 ASP N N 50 126.343 116.952 9.391 1
1 525 . 11 1 1 A 51 51 THR H H 51 8.253 8.012 0.241 1
1 526 . 11 1 1 A 51 51 THR HA H 51 4.638 4.299 0.339 1
1 531 . 11 1 1 A 51 51 THR CA C 51 61.690 62.805 -1.115 1
1 532 . 11 1 1 A 51 51 THR CB C 51 71.080 69.533 1.547 1
1 534 . 11 1 1 A 51 51 THR N N 51 115.167 116.641 -1.474 1
1 535 . 11 1 1 A 52 52 SER H H 52 8.710 8.564 0.146 1
1 536 . 11 1 1 A 52 52 SER HA H 52 5.318 5.552 -0.234 1
1 539 . 11 1 1 A 52 52 SER CA C 52 57.290 56.413 0.877 1
1 540 . 11 1 1 A 52 52 SER CB C 52 64.730 65.718 -0.988 1
1 541 . 11 1 1 A 52 52 SER N N 52 121.442 118.863 2.579 1
1 542 . 11 1 1 A 53 53 VAL H H 53 8.448 8.923 -0.475 1
1 543 . 11 1 1 A 53 53 VAL HA H 53 4.650 5.101 -0.451 1
1 551 . 11 1 1 A 53 53 VAL CA C 53 60.449 59.432 1.017 1
1 552 . 11 1 1 A 53 53 VAL CB C 53 35.105 34.893 0.212 1
1 555 . 11 1 1 A 53 53 VAL N N 53 121.387 122.644 -1.257 1
1 556 . 11 1 1 A 54 54 SER H H 54 8.761 9.271 -0.510 1
1 557 . 11 1 1 A 54 54 SER HA H 54 5.760 6.039 -0.279 1
1 560 . 11 1 1 A 54 54 SER CA C 54 57.180 55.730 1.450 1
1 561 . 11 1 1 A 54 54 SER CB C 54 65.910 66.272 -0.362 1
1 562 . 11 1 1 A 54 54 SER N N 54 118.025 123.145 -5.120 1
1 563 . 11 1 1 A 55 55 TYR H H 55 9.340 8.723 0.617 1
1 564 . 11 1 1 A 55 55 TYR HA H 55 4.175 4.893 -0.718 1
1 571 . 11 1 1 A 55 55 TYR CA C 55 57.100 56.088 1.012 1
1 572 . 11 1 1 A 55 55 TYR CB C 55 39.870 40.547 -0.677 1
1 577 . 11 1 1 A 55 55 TYR N N 55 128.024 125.114 2.910 1
1 578 . 11 1 1 A 56 56 LYS H H 56 7.551 8.487 -0.936 1
1 579 . 11 1 1 A 56 56 LYS HA H 56 4.890 4.725 0.165 1
1 588 . 11 1 1 A 56 56 LYS CA C 56 54.117 54.763 -0.646 1
1 589 . 11 1 1 A 56 56 LYS CB C 56 33.610 33.897 -0.287 1
1 593 . 11 1 1 A 56 56 LYS N N 56 127.706 129.379 -1.673 1
1 594 . 11 1 1 A 57 57 TYR H H 57 8.247 9.199 -0.952 1
1 595 . 11 1 1 A 57 57 TYR HA H 57 3.996 4.523 -0.527 1
1 602 . 11 1 1 A 57 57 TYR CA C 57 59.032 58.022 1.010 1
1 603 . 11 1 1 A 57 57 TYR CB C 57 39.390 40.203 -0.813 1
1 608 . 11 1 1 A 57 57 TYR N N 57 124.225 126.497 -2.272 1
1 609 . 11 1 1 A 58 58 THR H H 58 8.722 8.656 0.066 1
1 610 . 11 1 1 A 58 58 THR HA H 58 4.259 4.830 -0.571 1
1 615 . 11 1 1 A 58 58 THR CA C 58 62.250 60.192 2.058 1
1 616 . 11 1 1 A 58 58 THR CB C 58 69.280 70.602 -1.322 1
1 618 . 11 1 1 A 58 58 THR N N 58 116.096 115.232 0.864 1
1 619 . 11 1 1 A 59 59 SER H H 59 8.402 8.936 -0.534 1
1 620 . 11 1 1 A 59 59 SER HA H 59 4.050 4.735 -0.685 1
1 623 . 11 1 1 A 59 59 SER CA C 59 61.680 56.516 5.164 1
1 624 . 11 1 1 A 59 59 SER CB C 59 63.210 64.300 -1.090 1
1 625 . 11 1 1 A 59 59 SER N N 59 114.556 118.735 -4.179 1
1 626 . 11 1 1 A 60 60 ARG H H 60 8.176 8.719 -0.543 1
1 627 . 11 1 1 A 60 60 ARG HA H 60 4.489 4.723 -0.234 1
1 634 . 11 1 1 A 60 60 ARG CA C 60 54.960 55.419 -0.459 1
1 635 . 11 1 1 A 60 60 ARG CB C 60 29.846 31.351 -1.505 1
1 638 . 11 1 1 A 60 60 ARG N N 60 118.244 123.917 -5.673 1
1 639 . 11 1 1 A 61 61 TYR H H 61 7.617 7.239 0.378 1
1 640 . 11 1 1 A 61 61 TYR HA H 61 3.897 4.933 -1.036 1
1 647 . 11 1 1 A 61 61 TYR CA C 61 61.930 56.388 5.542 1
1 648 . 11 1 1 A 61 61 TYR CB C 61 38.670 40.223 -1.553 1
1 653 . 11 1 1 A 61 61 TYR N N 61 122.301 116.671 5.630 1
1 654 . 11 1 1 A 62 62 VAL H H 62 7.363 8.523 -1.160 1
1 655 . 11 1 1 A 62 62 VAL HA H 62 3.893 4.480 -0.587 1
1 663 . 11 1 1 A 62 62 VAL CA C 62 60.590 61.125 -0.535 1
1 664 . 11 1 1 A 62 62 VAL CB C 62 35.270 33.654 1.616 1
1 667 . 11 1 1 A 62 62 VAL N N 62 129.952 119.489 10.463 1
1 668 . 11 1 1 A 63 63 LEU H H 63 7.852 9.047 -1.195 1
1 669 . 11 1 1 A 63 63 LEU HA H 63 4.558 4.645 -0.087 1
1 679 . 11 1 1 A 63 63 LEU CA C 63 51.980 55.521 -3.541 1
1 680 . 11 1 1 A 63 63 LEU CB C 63 42.600 42.969 -0.369 1
1 684 . 11 1 1 A 63 63 LEU N N 63 128.635 130.866 -2.231 1
1 685 . 11 1 1 A 64 64 LYS H H 64 8.770 8.558 0.212 1
1 686 . 11 1 1 A 64 64 LYS HA H 64 3.722 4.545 -0.823 1
1 695 . 11 1 1 A 64 64 LYS CA C 64 57.360 56.350 1.010 1
1 696 . 11 1 1 A 64 64 LYS CB C 64 32.381 32.841 -0.460 1
1 700 . 11 1 1 A 64 64 LYS N N 64 130.633 126.186 4.447 1
1 701 . 11 1 1 A 65 65 ALA H H 65 8.628 8.467 0.161 1
1 702 . 11 1 1 A 65 65 ALA HA H 65 3.557 4.012 -0.455 1
1 706 . 11 1 1 A 65 65 ALA CA C 65 53.700 53.517 0.183 1
1 707 . 11 1 1 A 65 65 ALA CB C 65 18.660 18.125 0.535 1
1 708 . 11 1 1 A 65 65 ALA N N 65 123.214 126.067 -2.853 1
1 709 . 11 1 1 A 66 66 GLY H H 66 7.505 8.656 -1.151 1
1 710 . 11 1 1 A 66 66 GLY HA2 H 66 4.020 3.904 0.116 1
1 711 . 11 1 1 A 66 66 GLY HA3 H 66 4.020 3.904 0.116 1
1 712 . 11 1 1 A 66 66 GLY CA C 66 46.864 45.534 1.330 1
1 713 . 11 1 1 A 66 66 GLY N N 66 112.913 110.643 2.270 1
1 714 . 11 1 1 A 67 67 GLN H H 67 8.136 7.907 0.229 1
1 715 . 11 1 1 A 67 67 GLN HA H 67 4.436 4.413 0.023 1
1 722 . 11 1 1 A 67 67 GLN CA C 67 55.029 55.574 -0.545 1
1 723 . 11 1 1 A 67 67 GLN CB C 67 29.700 30.081 -0.381 1
1 725 . 11 1 1 A 67 67 GLN N N 67 118.759 121.515 -2.756 1
1 727 . 11 1 1 A 68 68 THR H H 68 8.066 8.376 -0.310 1
1 728 . 11 1 1 A 68 68 THR HA H 68 5.414 4.997 0.417 1
1 733 . 11 1 1 A 68 68 THR CA C 68 60.050 60.639 -0.589 1
1 734 . 11 1 1 A 68 68 THR CB C 68 72.052 70.191 1.861 1
1 736 . 11 1 1 A 68 68 THR N N 68 111.842 115.810 -3.968 1
1 737 . 11 1 1 A 69 69 VAL H H 69 8.780 9.164 -0.384 1
1 738 . 11 1 1 A 69 69 VAL HA H 69 4.989 4.846 0.143 1
1 746 . 11 1 1 A 69 69 VAL CA C 69 59.265 59.956 -0.691 1
1 747 . 11 1 1 A 69 69 VAL CB C 69 33.600 34.044 -0.444 1
1 750 . 11 1 1 A 69 69 VAL N N 69 120.958 124.599 -3.641 1
1 751 . 11 1 1 A 70 70 THR H H 70 8.660 8.937 -0.277 1
1 752 . 11 1 1 A 70 70 THR HA H 70 4.618 4.669 -0.051 1
1 757 . 11 1 1 A 70 70 THR CA C 70 61.730 62.037 -0.307 1
1 758 . 11 1 1 A 70 70 THR CB C 70 69.550 69.292 0.258 1
1 760 . 11 1 1 A 70 70 THR N N 70 125.533 125.160 0.373 1
1 761 . 11 1 1 A 71 71 ILE H H 71 8.994 9.285 -0.291 1
1 762 . 11 1 1 A 71 71 ILE HA H 71 4.369 5.253 -0.884 1
1 772 . 11 1 1 A 71 71 ILE CA C 71 59.162 60.313 -1.151 1
1 773 . 11 1 1 A 71 71 ILE CB C 71 36.826 37.558 -0.732 1
1 777 . 11 1 1 A 71 71 ILE N N 71 127.838 128.132 -0.294 1
1 778 . 11 1 1 A 72 72 TRP H H 72 9.270 9.180 0.090 1
1 779 . 11 1 1 A 72 72 TRP HA H 72 5.167 5.065 0.102 1
1 788 . 11 1 1 A 72 72 TRP CA C 72 56.180 57.441 -1.261 1
1 789 . 11 1 1 A 72 72 TRP CB C 72 31.490 31.100 0.390 1
1 795 . 11 1 1 A 72 72 TRP N N 72 127.112 129.327 -2.215 1
1 797 . 11 1 1 A 73 73 ALA H H 73 9.010 8.923 0.087 1
1 798 . 11 1 1 A 73 73 ALA HA H 73 4.617 4.724 -0.107 1
1 802 . 11 1 1 A 73 73 ALA CA C 73 52.110 51.331 0.779 1
1 803 . 11 1 1 A 73 73 ALA CB C 73 19.070 20.912 -1.842 1
1 804 . 11 1 1 A 73 73 ALA N N 73 122.140 124.147 -2.007 1
1 805 . 11 1 1 A 74 74 ALA H H 74 9.002 8.947 0.055 1
1 806 . 11 1 1 A 74 74 ALA HA H 74 4.042 4.073 -0.031 1
1 810 . 11 1 1 A 74 74 ALA CA C 74 54.650 55.683 -1.033 1
1 811 . 11 1 1 A 74 74 ALA CB C 74 18.070 18.521 -0.451 1
1 812 . 11 1 1 A 74 74 ALA N N 74 123.213 121.702 1.511 1
1 813 . 11 1 1 A 75 75 ASN H H 75 8.162 7.989 0.173 1
1 814 . 11 1 1 A 75 75 ASN HA H 75 5.015 5.091 -0.076 1
1 819 . 11 1 1 A 75 75 ASN CA C 75 51.650 52.990 -1.340 1
1 820 . 11 1 1 A 75 75 ASN CB C 75 36.590 38.969 -2.379 1
1 821 . 11 1 1 A 75 75 ASN N N 75 112.259 114.290 -2.031 1
1 823 . 11 1 1 A 76 76 ALA H H 76 7.605 7.449 0.156 1
1 824 . 11 1 1 A 76 76 ALA HA H 76 4.281 4.367 -0.086 1
1 828 . 11 1 1 A 76 76 ALA CA C 76 53.203 52.180 1.023 1
1 829 . 11 1 1 A 76 76 ALA CB C 76 20.210 19.562 0.648 1
1 830 . 11 1 1 A 76 76 ALA N N 76 120.777 121.673 -0.896 1
1 831 . 11 1 1 A 77 77 GLY H H 77 8.449 8.084 0.365 1
1 832 . 11 1 1 A 77 77 GLY HA2 H 77 3.960 3.908 0.052 1
1 833 . 11 1 1 A 77 77 GLY HA3 H 77 3.537 3.923 -0.386 1
1 834 . 11 1 1 A 77 77 GLY CA C 77 45.410 45.079 0.331 1
1 835 . 11 1 1 A 77 77 GLY N N 77 107.064 107.079 -0.015 1
1 836 . 11 1 1 A 78 78 VAL H H 78 7.286 7.569 -0.283 1
1 837 . 11 1 1 A 78 78 VAL HA H 78 3.804 3.997 -0.193 1
1 845 . 11 1 1 A 78 78 VAL CA C 78 60.736 61.716 -0.980 1
1 846 . 11 1 1 A 78 78 VAL CB C 78 33.590 32.444 1.146 1
1 849 . 11 1 1 A 78 78 VAL N N 78 120.566 119.391 1.175 1
1 850 . 11 1 1 A 79 79 THR H H 79 8.148 8.143 0.005 1
1 851 . 11 1 1 A 79 79 THR HA H 79 4.145 4.009 0.136 1
1 856 . 11 1 1 A 79 79 THR CA C 79 61.395 64.296 -2.901 1
1 857 . 11 1 1 A 79 79 THR CB C 79 69.620 69.338 0.282 1
1 859 . 11 1 1 A 79 79 THR N N 79 121.617 117.456 4.161 1
1 860 . 11 1 1 A 80 80 ALA H H 80 8.593 8.629 -0.036 1
1 861 . 11 1 1 A 80 80 ALA HA H 80 3.703 4.381 -0.678 1
1 865 . 11 1 1 A 80 80 ALA CA C 80 53.410 52.842 0.568 1
1 866 . 11 1 1 A 80 80 ALA CB C 80 19.180 19.060 0.120 1
1 867 . 11 1 1 A 80 80 ALA N N 80 126.311 129.064 -2.753 1
1 868 . 11 1 1 A 81 81 SER H H 81 9.101 7.688 1.413 1
1 869 . 11 1 1 A 81 81 SER HA H 81 4.747 4.858 -0.111 1
1 872 . 11 1 1 A 81 81 SER CA C 81 55.046 55.096 -0.050 1
1 873 . 11 1 1 A 81 81 SER CB C 81 62.680 65.800 -3.120 1
1 874 . 11 1 1 A 81 81 SER N N 81 114.816 111.965 2.851 1
1 875 . 11 1 1 A 82 82 PRO HA H 82 4.328 4.584 -0.256 1
1 882 . 11 1 1 A 82 82 PRO CA C 82 62.158 61.881 0.277 1
1 883 . 11 1 1 A 82 82 PRO CB C 82 30.480 32.789 -2.309 1
1 886 . 11 1 1 A 83 83 PRO HA H 83 4.821 4.635 0.186 1
1 893 . 11 1 1 A 83 83 PRO CA C 83 64.384 62.216 2.168 1
1 894 . 11 1 1 A 83 83 PRO CB C 83 34.750 31.040 3.710 1
1 897 . 11 1 1 A 84 84 THR H H 84 8.007 8.492 -0.485 1
1 898 . 11 1 1 A 84 84 THR HA H 84 4.567 4.472 0.095 1
1 903 . 11 1 1 A 84 84 THR CA C 84 64.770 62.056 2.714 1
1 904 . 11 1 1 A 84 84 THR CB C 84 69.370 70.019 -0.649 1
1 906 . 11 1 1 A 84 84 THR N N 84 114.629 113.315 1.314 1
1 907 . 11 1 1 A 85 85 ASP H H 85 7.952 7.878 0.074 1
1 908 . 11 1 1 A 85 85 ASP HA H 85 5.950 5.094 0.856 1
1 911 . 11 1 1 A 85 85 ASP CA C 85 54.110 52.827 1.283 1
1 912 . 11 1 1 A 85 85 ASP CB C 85 43.510 44.414 -0.904 1
1 913 . 11 1 1 A 85 85 ASP N N 85 124.539 119.783 4.756 1
1 914 . 11 1 1 A 86 86 LEU H H 86 9.271 8.817 0.454 1
1 915 . 11 1 1 A 86 86 LEU HA H 86 4.953 4.977 -0.024 1
1 925 . 11 1 1 A 86 86 LEU CA C 86 52.230 54.185 -1.955 1
1 926 . 11 1 1 A 86 86 LEU CB C 86 44.070 44.016 0.054 1
1 930 . 11 1 1 A 86 86 LEU N N 86 124.265 120.017 4.248 1
1 931 . 11 1 1 A 87 87 ILE H H 87 8.691 9.161 -0.470 1
1 932 . 11 1 1 A 87 87 ILE HA H 87 4.802 4.794 0.008 1
1 942 . 11 1 1 A 87 87 ILE CA C 87 58.694 60.329 -1.635 1
1 943 . 11 1 1 A 87 87 ILE CB C 87 37.945 38.359 -0.414 1
1 947 . 11 1 1 A 87 87 ILE N N 87 119.475 125.324 -5.849 1
1 948 . 11 1 1 A 88 88 TRP H H 88 9.755 9.241 0.514 1
1 949 . 11 1 1 A 88 88 TRP HA H 88 4.918 4.584 0.334 1
1 958 . 11 1 1 A 88 88 TRP CA C 88 54.900 55.578 -0.678 1
1 959 . 11 1 1 A 88 88 TRP CB C 88 27.270 28.398 -1.128 1
1 965 . 11 1 1 A 88 88 TRP N N 88 132.610 129.918 2.692 1
1 967 . 11 1 1 A 89 89 LYS H H 89 8.282 8.442 -0.160 1
1 968 . 11 1 1 A 89 89 LYS HA H 89 3.996 4.257 -0.261 1
1 977 . 11 1 1 A 89 89 LYS CA C 89 58.847 57.874 0.973 1
1 978 . 11 1 1 A 89 89 LYS CB C 89 32.360 32.041 0.319 1
1 982 . 11 1 1 A 89 89 LYS N N 89 125.513 126.336 -0.823 1
1 983 . 11 1 1 A 90 90 ASN H H 90 8.810 7.897 0.913 1
1 984 . 11 1 1 A 90 90 ASN HA H 90 4.434 4.712 -0.278 1
1 989 . 11 1 1 A 90 90 ASN CA C 90 54.010 53.917 0.093 1
1 990 . 11 1 1 A 90 90 ASN CB C 90 37.770 39.479 -1.709 1
1 991 . 11 1 1 A 90 90 ASN N N 90 114.946 115.196 -0.250 1
1 993 . 11 1 1 A 91 91 GLN H H 91 7.546 6.738 0.808 1
1 994 . 11 1 1 A 91 91 GLN HA H 91 4.412 4.503 -0.091 1
1 1001 . 11 1 1 A 91 91 GLN CA C 91 53.520 54.500 -0.980 1
1 1002 . 11 1 1 A 91 91 GLN CB C 91 28.470 31.564 -3.094 1
1 1004 . 11 1 1 A 91 91 GLN N N 91 117.746 117.572 0.174 1
1 1006 . 11 1 1 A 92 92 ASN H H 92 8.451 8.636 -0.185 1
1 1007 . 11 1 1 A 92 92 ASN HA H 92 4.876 5.086 -0.210 1
1 1012 . 11 1 1 A 92 92 ASN CA C 92 52.080 51.719 0.361 1
1 1013 . 11 1 1 A 92 92 ASN CB C 92 39.400 40.984 -1.584 1
1 1014 . 11 1 1 A 92 92 ASN N N 92 123.697 120.813 2.884 1
1 1016 . 11 1 1 A 93 93 SER H H 93 9.337 8.564 0.773 1
1 1017 . 11 1 1 A 93 93 SER HA H 93 3.977 4.603 -0.626 1
1 1020 . 11 1 1 A 93 93 SER CA C 93 58.940 58.958 -0.018 1
1 1021 . 11 1 1 A 93 93 SER CB C 93 62.940 63.917 -0.977 1
1 1022 . 11 1 1 A 93 93 SER N N 93 117.010 114.927 2.083 1
1 1023 . 11 1 1 A 94 94 TRP H H 94 7.857 7.994 -0.137 1
1 1024 . 11 1 1 A 94 94 TRP HA H 94 4.905 5.806 -0.901 1
1 1033 . 11 1 1 A 94 94 TRP CA C 94 56.770 54.933 1.837 1
1 1034 . 11 1 1 A 94 94 TRP CB C 94 27.900 32.696 -4.796 1
1 1039 . 11 1 1 A 94 94 TRP N N 94 120.449 120.858 -0.409 1
1 1041 . 11 1 1 A 95 95 GLY H H 95 7.795 8.685 -0.890 1
1 1042 . 11 1 1 A 95 95 GLY HA2 H 95 3.953 4.305 -0.352 1
1 1043 . 11 1 1 A 95 95 GLY HA3 H 95 3.763 4.332 -0.569 1
1 1044 . 11 1 1 A 95 95 GLY CA C 95 45.487 45.816 -0.329 1
1 1045 . 11 1 1 A 95 95 GLY N N 95 109.481 107.049 2.432 1
1 1046 . 11 1 1 A 96 96 THR H H 96 8.028 7.969 0.059 1
1 1047 . 11 1 1 A 96 96 THR HA H 96 4.696 4.363 0.333 1
1 1052 . 11 1 1 A 96 96 THR CA C 96 60.880 64.004 -3.124 1
1 1053 . 11 1 1 A 96 96 THR CB C 96 70.040 69.981 0.059 1
1 1055 . 11 1 1 A 96 96 THR N N 96 112.538 115.152 -2.614 1
1 1056 . 11 1 1 A 97 97 GLY H H 97 8.443 8.199 0.244 1
1 1057 . 11 1 1 A 97 97 GLY HA2 H 97 3.482 3.989 -0.507 1
1 1058 . 11 1 1 A 97 97 GLY HA3 H 97 3.862 3.990 -0.128 1
1 1059 . 11 1 1 A 97 97 GLY CA C 97 45.945 45.190 0.755 1
1 1060 . 11 1 1 A 97 97 GLY N N 97 111.464 109.710 1.754 1
1 1061 . 11 1 1 A 98 98 GLU H H 98 8.010 7.923 0.087 1
1 1062 . 11 1 1 A 98 98 GLU HA H 98 4.471 4.646 -0.175 1
1 1067 . 11 1 1 A 98 98 GLU CA C 98 54.730 55.685 -0.955 1
1 1068 . 11 1 1 A 98 98 GLU CB C 98 30.719 31.391 -0.672 1
1 1070 . 11 1 1 A 98 98 GLU N N 98 118.563 120.722 -2.159 1
1 1071 . 11 1 1 A 99 99 ASP H H 99 8.680 8.600 0.080 1
1 1072 . 11 1 1 A 99 99 ASP HA H 99 4.612 4.611 0.001 1
1 1075 . 11 1 1 A 99 99 ASP CA C 99 54.451 53.528 0.923 1
1 1076 . 11 1 1 A 99 99 ASP CB C 99 39.540 41.652 -2.112 1
1 1077 . 11 1 1 A 99 99 ASP N N 99 122.219 121.841 0.378 1
1 1078 . 11 1 1 A 100 100 VAL H H 100 8.215 8.418 -0.203 1
1 1079 . 11 1 1 A 100 100 VAL HA H 100 4.495 4.771 -0.276 1
1 1087 . 11 1 1 A 100 100 VAL CA C 100 60.920 59.611 1.309 1
1 1088 . 11 1 1 A 100 100 VAL CB C 100 34.150 35.610 -1.460 1
1 1091 . 11 1 1 A 100 100 VAL N N 100 123.901 119.354 4.547 1
1 1092 . 11 1 1 A 101 101 LYS H H 101 8.600 8.501 0.099 1
1 1093 . 11 1 1 A 101 101 LYS HA H 101 5.112 5.075 0.037 1
1 1102 . 11 1 1 A 101 101 LYS CA C 101 54.718 55.061 -0.343 1
1 1103 . 11 1 1 A 101 101 LYS CB C 101 35.326 35.120 0.206 1
1 1107 . 11 1 1 A 101 101 LYS N N 101 126.635 127.853 -1.218 1
1 1108 . 11 1 1 A 102 102 VAL H H 102 9.209 9.211 -0.002 1
1 1109 . 11 1 1 A 102 102 VAL HA H 102 5.405 5.290 0.115 1
1 1117 . 11 1 1 A 102 102 VAL CA C 102 59.950 59.850 0.100 1
1 1118 . 11 1 1 A 102 102 VAL CB C 102 34.420 34.145 0.275 1
1 1121 . 11 1 1 A 102 102 VAL N N 102 125.573 126.326 -0.753 1
1 1122 . 11 1 1 A 103 103 ILE H H 103 8.968 9.324 -0.356 1
1 1123 . 11 1 1 A 103 103 ILE HA H 103 4.671 4.942 -0.271 1
1 1133 . 11 1 1 A 103 103 ILE CA C 103 59.790 59.951 -0.161 1
1 1134 . 11 1 1 A 103 103 ILE CB C 103 42.522 40.714 1.808 1
1 1138 . 11 1 1 A 103 103 ILE N N 103 125.593 129.146 -3.553 1
1 1139 . 11 1 1 A 104 104 LEU H H 104 9.017 8.580 0.437 1
1 1140 . 11 1 1 A 104 104 LEU HA H 104 5.361 5.045 0.316 1
1 1150 . 11 1 1 A 104 104 LEU CA C 104 52.800 53.817 -1.017 1
1 1151 . 11 1 1 A 104 104 LEU CB C 104 46.200 44.040 2.160 1
1 1155 . 11 1 1 A 104 104 LEU N N 104 127.791 126.663 1.128 1
1 1156 . 11 1 1 A 105 105 LYS H H 105 9.674 8.772 0.902 1
1 1157 . 11 1 1 A 105 105 LYS HA H 105 5.194 4.713 0.481 1
1 1166 . 11 1 1 A 105 105 LYS CA C 105 53.780 54.390 -0.610 1
1 1167 . 11 1 1 A 105 105 LYS CB C 105 36.330 35.366 0.964 1
1 1171 . 11 1 1 A 105 105 LYS N N 105 126.536 124.499 2.037 1
1 1172 . 11 1 1 A 106 106 ASN H H 106 7.774 9.022 -1.248 1
1 1173 . 11 1 1 A 106 106 ASN HA H 106 2.714 4.443 -1.729 1
1 1178 . 11 1 1 A 106 106 ASN CA C 106 49.530 52.136 -2.606 1
1 1179 . 11 1 1 A 106 106 ASN CB C 106 36.940 37.624 -0.684 1
1 1180 . 11 1 1 A 106 106 ASN N N 106 116.550 122.543 -5.993 1
1 1182 . 11 1 1 A 107 107 SER H H 107 6.988 8.719 -1.731 1
1 1183 . 11 1 1 A 107 107 SER HA H 107 4.092 4.350 -0.258 1
1 1186 . 11 1 1 A 107 107 SER CA C 107 60.490 60.523 -0.033 1
1 1187 . 11 1 1 A 107 107 SER CB C 107 62.510 62.819 -0.309 1
1 1188 . 11 1 1 A 107 107 SER N N 107 112.400 120.503 -8.103 1
1 1189 . 11 1 1 A 108 108 GLN H H 108 7.414 8.578 -1.164 1
1 1190 . 11 1 1 A 108 108 GLN HA H 108 4.404 4.222 0.182 1
1 1197 . 11 1 1 A 108 108 GLN CA C 108 55.470 58.156 -2.686 1
1 1198 . 11 1 1 A 108 108 GLN CB C 108 28.400 29.252 -0.852 1
1 1200 . 11 1 1 A 108 108 GLN N N 108 119.000 119.575 -0.575 1
1 1202 . 11 1 1 A 109 109 GLY H H 109 7.835 7.429 0.406 1
1 1203 . 11 1 1 A 109 109 GLY HA2 H 109 4.136 3.973 0.163 1
1 1204 . 11 1 1 A 109 109 GLY HA3 H 109 3.530 3.982 -0.452 1
1 1205 . 11 1 1 A 109 109 GLY CA C 109 45.549 45.568 -0.019 1
1 1206 . 11 1 1 A 109 109 GLY N N 109 107.333 104.984 2.349 1
1 1207 . 11 1 1 A 110 110 GLU H H 110 7.562 7.868 -0.306 1
1 1208 . 11 1 1 A 110 110 GLU HA H 110 4.209 4.251 -0.042 1
1 1213 . 11 1 1 A 110 110 GLU CA C 110 54.320 56.630 -2.310 1
1 1214 . 11 1 1 A 110 110 GLU CB C 110 29.760 29.848 -0.088 1
1 1216 . 11 1 1 A 110 110 GLU N N 110 120.137 120.180 -0.043 1
1 1217 . 11 1 1 A 111 111 GLU H H 111 8.799 8.475 0.324 1
1 1218 . 11 1 1 A 111 111 GLU HA H 111 4.194 4.726 -0.532 1
1 1223 . 11 1 1 A 111 111 GLU CA C 111 57.160 54.893 2.267 1
1 1224 . 11 1 1 A 111 111 GLU CB C 111 29.175 32.509 -3.334 1
1 1226 . 11 1 1 A 111 111 GLU N N 111 123.867 124.157 -0.290 1
1 1227 . 11 1 1 A 112 112 VAL H H 112 9.093 8.623 0.470 1
1 1228 . 11 1 1 A 112 112 VAL HA H 112 4.330 4.182 0.148 1
1 1236 . 11 1 1 A 112 112 VAL CA C 112 61.529 62.890 -1.361 1
1 1237 . 11 1 1 A 112 112 VAL CB C 112 33.230 32.525 0.705 1
1 1240 . 11 1 1 A 112 112 VAL N N 112 122.642 122.046 0.596 1
1 1241 . 11 1 1 A 113 113 ALA H H 113 7.793 7.418 0.375 1
1 1242 . 11 1 1 A 113 113 ALA HA H 113 4.770 4.615 0.155 1
1 1246 . 11 1 1 A 113 113 ALA CA C 113 52.449 51.672 0.777 1
1 1247 . 11 1 1 A 113 113 ALA CB C 113 22.400 22.357 0.043 1
1 1248 . 11 1 1 A 113 113 ALA N N 113 121.070 120.944 0.126 1
1 1249 . 11 1 1 A 114 114 GLN H H 114 8.450 8.765 -0.315 1
1 1250 . 11 1 1 A 114 114 GLN HA H 114 5.404 5.244 0.160 1
1 1257 . 11 1 1 A 114 114 GLN CA C 114 54.830 54.153 0.677 1
1 1258 . 11 1 1 A 114 114 GLN CB C 114 32.307 32.086 0.221 1
1 1260 . 11 1 1 A 114 114 GLN N N 114 115.851 116.759 -0.908 1
1 1262 . 11 1 1 A 115 115 ARG H H 115 8.989 8.731 0.258 1
1 1263 . 11 1 1 A 115 115 ARG HA H 115 4.555 5.076 -0.521 1
1 1270 . 11 1 1 A 115 115 ARG CA C 115 56.350 54.516 1.834 1
1 1271 . 11 1 1 A 115 115 ARG CB C 115 33.730 34.118 -0.388 1
1 1274 . 11 1 1 A 115 115 ARG N N 115 122.920 123.849 -0.929 1
1 1275 . 11 1 1 A 116 116 SER H H 116 8.511 8.630 -0.119 1
1 1276 . 11 1 1 A 116 116 SER HA H 116 5.756 5.201 0.555 1
1 1279 . 11 1 1 A 116 116 SER CA C 116 56.400 56.313 0.087 1
1 1280 . 11 1 1 A 116 116 SER CB C 116 65.770 65.660 0.110 1
1 1281 . 11 1 1 A 116 116 SER N N 116 119.807 118.293 1.514 1
1 1282 . 11 1 1 A 117 117 THR H H 117 8.801 8.264 0.537 1
1 1283 . 11 1 1 A 117 117 THR HA H 117 4.378 4.733 -0.355 1
1 1288 . 11 1 1 A 117 117 THR CA C 117 62.160 61.304 0.856 1
1 1289 . 11 1 1 A 117 117 THR CB C 117 70.010 69.580 0.430 1
1 1291 . 11 1 1 A 117 117 THR N N 117 116.435 112.672 3.763 1
1 1292 . 11 1 1 A 118 118 VAL H H 118 8.165 8.311 -0.146 1
1 1293 . 11 1 1 A 118 118 VAL HA H 118 4.227 3.885 0.342 1
1 1301 . 11 1 1 A 118 118 VAL CA C 118 61.320 62.905 -1.585 1
1 1302 . 11 1 1 A 118 118 VAL CB C 118 32.931 32.052 0.879 1
1 1305 . 11 1 1 A 118 118 VAL N N 118 122.111 125.091 -2.980 1
1 1306 . 11 1 1 A 119 119 PHE H H 119 8.580 8.609 -0.029 1
1 1307 . 11 1 1 A 119 119 PHE HA H 119 4.655 4.658 -0.003 1
1 1314 . 11 1 1 A 119 119 PHE CA C 119 57.520 57.406 0.114 1
1 1315 . 11 1 1 A 119 119 PHE CB C 119 39.550 37.773 1.777 1
1 1320 . 11 1 1 A 119 119 PHE N N 119 126.006 127.020 -1.014 1
1 1321 . 11 1 1 A 120 120 LYS H H 120 8.346 8.362 -0.016 1
1 1322 . 11 1 1 A 120 120 LYS HA H 120 4.432 4.601 -0.169 1
1 1331 . 11 1 1 A 120 120 LYS CA C 120 55.740 55.661 0.079 1
1 1332 . 11 1 1 A 120 120 LYS CB C 120 33.290 32.999 0.291 1
1 1336 . 11 1 1 A 120 120 LYS N N 120 124.095 125.968 -1.873 1
1 1337 . 11 1 1 A 121 121 THR H H 121 8.294 8.656 -0.362 1
1 1338 . 11 1 1 A 121 121 THR HA H 121 4.394 4.402 -0.008 1
1 1343 . 11 1 1 A 121 121 THR CA C 121 61.610 62.813 -1.203 1
1 1344 . 11 1 1 A 121 121 THR CB C 121 69.640 69.101 0.539 1
1 1346 . 11 1 1 A 121 121 THR N N 121 116.359 118.157 -1.798 1
1 1 . 12 1 1 A 3 3 HIS H H 3 8.528 8.909 -0.381 1
1 2 . 12 1 1 A 3 3 HIS HA H 3 4.626 5.454 -0.828 1
1 5 . 12 1 1 A 3 3 HIS CA C 3 55.260 53.890 1.370 1
1 6 . 12 1 1 A 3 3 HIS CB C 3 29.250 32.665 -3.415 1
1 7 . 12 1 1 A 3 3 HIS N N 3 118.990 119.094 -0.104 1
1 8 . 12 1 1 A 4 4 HIS H H 4 8.528 9.042 -0.514 1
1 9 . 12 1 1 A 4 4 HIS HA H 4 4.624 4.406 0.218 1
1 12 . 12 1 1 A 4 4 HIS CA C 4 55.277 55.481 -0.204 1
1 13 . 12 1 1 A 4 4 HIS CB C 4 29.002 28.543 0.459 1
1 14 . 12 1 1 A 4 4 HIS N N 4 118.990 119.857 -0.867 1
1 15 . 12 1 1 A 5 5 HIS H H 5 8.579 8.419 0.160 1
1 16 . 12 1 1 A 5 5 HIS HA H 5 4.737 4.635 0.102 1
1 19 . 12 1 1 A 5 5 HIS CA C 5 55.330 55.487 -0.157 1
1 20 . 12 1 1 A 5 5 HIS CB C 5 29.257 30.784 -1.527 1
1 21 . 12 1 1 A 5 5 HIS N N 5 119.720 124.725 -5.005 1
1 22 . 12 1 1 A 6 6 HIS H H 6 8.603 8.944 -0.341 1
1 23 . 12 1 1 A 6 6 HIS HA H 6 4.674 4.886 -0.212 1
1 26 . 12 1 1 A 6 6 HIS CA C 6 55.150 54.657 0.493 1
1 27 . 12 1 1 A 6 6 HIS CB C 6 27.340 33.380 -6.040 1
1 28 . 12 1 1 A 6 6 HIS N N 6 121.420 124.982 -3.562 1
1 29 . 12 1 1 A 7 7 HIS H H 7 8.706 8.287 0.419 1
1 30 . 12 1 1 A 7 7 HIS HA H 7 4.658 4.756 -0.098 1
1 33 . 12 1 1 A 7 7 HIS CA C 7 55.100 53.726 1.374 1
1 34 . 12 1 1 A 7 7 HIS CB C 7 29.300 31.969 -2.669 1
1 35 . 12 1 1 A 7 7 HIS N N 7 121.200 116.522 4.678 1
1 36 . 12 1 1 A 8 8 HIS H H 8 8.706 8.436 0.270 1
1 37 . 12 1 1 A 8 8 HIS HA H 8 4.706 4.140 0.566 1
1 40 . 12 1 1 A 8 8 HIS CA C 8 55.156 57.267 -2.111 1
1 41 . 12 1 1 A 8 8 HIS CB C 8 29.396 26.980 2.416 1
1 42 . 12 1 1 A 8 8 HIS N N 8 121.200 115.410 5.790 1
1 43 . 12 1 1 A 9 9 SER H H 9 8.551 7.852 0.699 1
1 44 . 12 1 1 A 9 9 SER HA H 9 4.450 4.435 0.015 1
1 47 . 12 1 1 A 9 9 SER CA C 9 58.200 57.454 0.746 1
1 48 . 12 1 1 A 9 9 SER CB C 9 63.740 62.717 1.023 1
1 49 . 12 1 1 A 9 9 SER N N 9 118.046 113.805 4.241 1
1 50 . 12 1 1 A 10 10 HIS H H 10 8.770 8.265 0.505 1
1 51 . 12 1 1 A 10 10 HIS HA H 10 4.726 5.035 -0.309 1
1 54 . 12 1 1 A 10 10 HIS CA C 10 55.640 54.806 0.834 1
1 55 . 12 1 1 A 10 10 HIS CB C 10 29.172 33.477 -4.305 1
1 56 . 12 1 1 A 10 10 HIS N N 10 120.412 123.381 -2.969 1
1 57 . 12 1 1 A 11 11 MET H H 11 8.528 8.902 -0.374 1
1 58 . 12 1 1 A 11 11 MET HA H 11 4.658 5.075 -0.417 1
1 66 . 12 1 1 A 11 11 MET CA C 11 55.438 54.319 1.119 1
1 67 . 12 1 1 A 11 11 MET CB C 11 33.090 36.786 -3.696 1
1 70 . 12 1 1 A 11 11 MET N N 11 122.400 122.674 -0.274 1
1 71 . 12 1 1 A 12 12 THR H H 12 8.339 8.799 -0.460 1
1 72 . 12 1 1 A 12 12 THR HA H 12 4.450 4.176 0.274 1
1 77 . 12 1 1 A 12 12 THR CA C 12 61.810 64.118 -2.308 1
1 78 . 12 1 1 A 12 12 THR CB C 12 70.450 68.421 2.029 1
1 80 . 12 1 1 A 12 12 THR N N 12 115.700 115.002 0.698 1
1 81 . 12 1 1 A 13 13 GLY H H 13 8.426 7.557 0.869 1
1 82 . 12 1 1 A 13 13 GLY HA2 H 13 4.287 4.228 0.059 1
1 83 . 12 1 1 A 13 13 GLY HA3 H 13 3.877 4.324 -0.447 1
1 84 . 12 1 1 A 13 13 GLY CA C 13 45.243 45.410 -0.167 1
1 85 . 12 1 1 A 13 13 GLY N N 13 110.872 107.536 3.336 1
1 86 . 12 1 1 A 14 14 ASN H H 14 8.374 9.211 -0.837 1
1 87 . 12 1 1 A 14 14 ASN HA H 14 4.720 4.917 -0.197 1
1 92 . 12 1 1 A 14 14 ASN CA C 14 54.200 54.366 -0.166 1
1 93 . 12 1 1 A 14 14 ASN CB C 14 39.210 39.870 -0.660 1
1 94 . 12 1 1 A 14 14 ASN N N 14 117.789 121.947 -4.158 1
1 96 . 12 1 1 A 15 15 VAL H H 15 7.890 7.598 0.292 1
1 97 . 12 1 1 A 15 15 VAL HA H 15 4.843 4.006 0.837 1
1 105 . 12 1 1 A 15 15 VAL CA C 15 61.759 61.970 -0.211 1
1 106 . 12 1 1 A 15 15 VAL CB C 15 33.230 30.464 2.766 1
1 109 . 12 1 1 A 15 15 VAL N N 15 118.720 120.051 -1.331 1
1 110 . 12 1 1 A 16 16 CYS H H 16 9.060 8.404 0.656 1
1 111 . 12 1 1 A 16 16 CYS HA H 16 4.899 5.065 -0.166 1
1 114 . 12 1 1 A 16 16 CYS CA C 16 54.620 57.323 -2.703 1
1 115 . 12 1 1 A 16 16 CYS CB C 16 30.900 31.341 -0.441 1
1 116 . 12 1 1 A 16 16 CYS N N 16 122.674 126.309 -3.635 1
1 117 . 12 1 1 A 17 17 ILE H H 17 8.845 8.772 0.073 1
1 118 . 12 1 1 A 17 17 ILE HA H 17 4.153 4.004 0.149 1
1 128 . 12 1 1 A 17 17 ILE CA C 17 61.080 62.443 -1.363 1
1 129 . 12 1 1 A 17 17 ILE CB C 17 36.397 37.551 -1.154 1
1 133 . 12 1 1 A 17 17 ILE N N 17 122.609 125.764 -3.155 1
1 134 . 12 1 1 A 18 18 GLU H H 18 8.917 9.133 -0.216 1
1 135 . 12 1 1 A 18 18 GLU HA H 18 4.230 4.269 -0.039 1
1 140 . 12 1 1 A 18 18 GLU CA C 18 57.160 58.239 -1.079 1
1 141 . 12 1 1 A 18 18 GLU CB C 18 30.550 30.619 -0.069 1
1 143 . 12 1 1 A 18 18 GLU N N 18 130.894 128.840 2.054 1
1 144 . 12 1 1 A 19 19 GLU H H 19 7.853 7.420 0.433 1
1 145 . 12 1 1 A 19 19 GLU HA H 19 4.470 4.724 -0.254 1
1 150 . 12 1 1 A 19 19 GLU CA C 19 56.110 55.702 0.408 1
1 151 . 12 1 1 A 19 19 GLU CB C 19 33.847 33.140 0.707 1
1 153 . 12 1 1 A 19 19 GLU N N 19 115.069 118.211 -3.142 1
1 154 . 12 1 1 A 20 20 ILE H H 20 8.744 8.750 -0.006 1
1 155 . 12 1 1 A 20 20 ILE HA H 20 4.080 4.443 -0.363 1
1 165 . 12 1 1 A 20 20 ILE CA C 20 60.619 60.073 0.546 1
1 166 . 12 1 1 A 20 20 ILE CB C 20 39.170 39.103 0.067 1
1 170 . 12 1 1 A 20 20 ILE N N 20 127.309 127.917 -0.608 1
1 171 . 12 1 1 A 21 21 ASP H H 21 7.468 8.370 -0.902 1
1 172 . 12 1 1 A 21 21 ASP HA H 21 3.949 4.200 -0.251 1
1 175 . 12 1 1 A 21 21 ASP CA C 21 54.970 54.134 0.836 1
1 176 . 12 1 1 A 21 21 ASP CB C 21 42.170 41.077 1.093 1
1 177 . 12 1 1 A 21 21 ASP N N 21 124.858 126.809 -1.951 1
1 178 . 12 1 1 A 22 22 VAL H H 22 8.650 8.632 0.018 1
1 179 . 12 1 1 A 22 22 VAL HA H 22 3.998 3.748 0.250 1
1 187 . 12 1 1 A 22 22 VAL CA C 22 64.445 64.373 0.072 1
1 188 . 12 1 1 A 22 22 VAL CB C 22 31.244 31.876 -0.632 1
1 191 . 12 1 1 A 22 22 VAL N N 22 130.172 126.281 3.891 1
1 192 . 12 1 1 A 23 23 ASP H H 23 7.482 7.434 0.048 1
1 193 . 12 1 1 A 23 23 ASP HA H 23 4.711 4.558 0.153 1
1 196 . 12 1 1 A 23 23 ASP CA C 23 53.920 54.483 -0.563 1
1 197 . 12 1 1 A 23 23 ASP CB C 23 40.100 41.194 -1.094 1
1 198 . 12 1 1 A 23 23 ASP N N 23 118.547 119.794 -1.247 1
1 199 . 12 1 1 A 24 24 GLY H H 24 7.220 7.269 -0.049 1
1 200 . 12 1 1 A 24 24 GLY HA2 H 24 2.950 2.901 0.049 1
1 201 . 12 1 1 A 24 24 GLY HA3 H 24 2.407 3.206 -0.799 1
1 202 . 12 1 1 A 24 24 GLY CA C 24 45.040 45.141 -0.101 1
1 203 . 12 1 1 A 24 24 GLY N N 24 105.293 106.212 -0.919 1
1 204 . 12 1 1 A 25 25 LYS H H 25 8.757 7.679 1.078 1
1 205 . 12 1 1 A 25 25 LYS HA H 25 3.964 4.087 -0.123 1
1 214 . 12 1 1 A 25 25 LYS CA C 25 56.590 55.479 1.111 1
1 215 . 12 1 1 A 25 25 LYS CB C 25 33.660 34.600 -0.940 1
1 219 . 12 1 1 A 25 25 LYS N N 25 111.753 117.103 -5.350 1
1 220 . 12 1 1 A 26 26 PHE H H 26 6.380 7.112 -0.732 1
1 221 . 12 1 1 A 26 26 PHE HA H 26 5.753 5.145 0.608 1
1 229 . 12 1 1 A 26 26 PHE CA C 26 56.370 56.144 0.226 1
1 230 . 12 1 1 A 26 26 PHE CB C 26 40.030 39.893 0.137 1
1 236 . 12 1 1 A 26 26 PHE N N 26 110.097 116.349 -6.252 1
1 237 . 12 1 1 A 27 27 ILE H H 27 8.601 8.572 0.029 1
1 238 . 12 1 1 A 27 27 ILE HA H 27 4.506 4.771 -0.265 1
1 248 . 12 1 1 A 27 27 ILE CA C 27 60.905 60.739 0.166 1
1 249 . 12 1 1 A 27 27 ILE CB C 27 43.249 40.704 2.545 1
1 253 . 12 1 1 A 27 27 ILE N N 27 119.676 119.988 -0.312 1
1 254 . 12 1 1 A 28 28 ARG H H 28 9.290 8.906 0.384 1
1 255 . 12 1 1 A 28 28 ARG HA H 28 5.561 4.869 0.692 1
1 262 . 12 1 1 A 28 28 ARG CA C 28 54.650 55.432 -0.782 1
1 263 . 12 1 1 A 28 28 ARG CB C 28 34.180 31.660 2.520 1
1 266 . 12 1 1 A 28 28 ARG N N 28 127.516 129.173 -1.657 1
1 267 . 12 1 1 A 29 29 LEU H H 29 9.502 9.313 0.189 1
1 268 . 12 1 1 A 29 29 LEU HA H 29 5.306 4.868 0.438 1
1 278 . 12 1 1 A 29 29 LEU CA C 29 54.010 53.222 0.788 1
1 279 . 12 1 1 A 29 29 LEU CB C 29 44.020 43.707 0.313 1
1 283 . 12 1 1 A 29 29 LEU N N 29 126.696 128.571 -1.875 1
1 284 . 12 1 1 A 30 30 LYS H H 30 8.641 9.057 -0.416 1
1 285 . 12 1 1 A 30 30 LYS HA H 30 5.108 5.101 0.007 1
1 294 . 12 1 1 A 30 30 LYS CA C 30 54.660 54.597 0.063 1
1 295 . 12 1 1 A 30 30 LYS CB C 30 38.070 35.634 2.436 1
1 299 . 12 1 1 A 30 30 LYS N N 30 118.761 123.448 -4.687 1
1 300 . 12 1 1 A 31 31 ASN H H 31 8.397 8.917 -0.520 1
1 301 . 12 1 1 A 31 31 ASN HA H 31 5.319 4.752 0.567 1
1 306 . 12 1 1 A 31 31 ASN CA C 31 50.690 53.443 -2.753 1
1 307 . 12 1 1 A 31 31 ASN CB C 31 37.490 39.258 -1.768 1
1 308 . 12 1 1 A 31 31 ASN N N 31 123.996 124.978 -0.982 1
1 310 . 12 1 1 A 32 32 THR H H 32 8.455 8.941 -0.486 1
1 311 . 12 1 1 A 32 32 THR HA H 32 4.302 4.322 -0.020 1
1 316 . 12 1 1 A 32 32 THR CA C 32 61.492 62.467 -0.975 1
1 317 . 12 1 1 A 32 32 THR CB C 32 68.110 69.639 -1.529 1
1 319 . 12 1 1 A 32 32 THR N N 32 115.755 117.323 -1.568 1
1 320 . 12 1 1 A 33 33 SER H H 33 8.487 7.382 1.105 1
1 321 . 12 1 1 A 33 33 SER HA H 33 4.793 4.345 0.448 1
1 324 . 12 1 1 A 33 33 SER CA C 33 57.500 58.309 -0.809 1
1 325 . 12 1 1 A 33 33 SER CB C 33 66.510 63.853 2.657 1
1 326 . 12 1 1 A 33 33 SER N N 33 120.037 119.303 0.734 1
1 327 . 12 1 1 A 34 34 GLU H H 34 8.355 8.940 -0.585 1
1 328 . 12 1 1 A 34 34 GLU HA H 34 4.335 4.435 -0.100 1
1 333 . 12 1 1 A 34 34 GLU CA C 34 55.840 56.781 -0.941 1
1 334 . 12 1 1 A 34 34 GLU CB C 34 28.930 30.273 -1.343 1
1 336 . 12 1 1 A 34 34 GLU N N 34 116.545 124.230 -7.685 1
1 337 . 12 1 1 A 35 35 GLN H H 35 8.634 7.407 1.227 1
1 338 . 12 1 1 A 35 35 GLN HA H 35 4.664 4.839 -0.175 1
1 345 . 12 1 1 A 35 35 GLN CA C 35 53.740 54.955 -1.215 1
1 346 . 12 1 1 A 35 35 GLN CB C 35 31.696 32.468 -0.772 1
1 348 . 12 1 1 A 35 35 GLN N N 35 120.013 120.370 -0.357 1
1 350 . 12 1 1 A 36 36 ASP H H 36 8.859 8.720 0.139 1
1 351 . 12 1 1 A 36 36 ASP HA H 36 4.050 4.965 -0.915 1
1 354 . 12 1 1 A 36 36 ASP CA C 36 54.640 54.512 0.128 1
1 355 . 12 1 1 A 36 36 ASP CB C 36 40.120 40.530 -0.410 1
1 356 . 12 1 1 A 36 36 ASP N N 36 124.552 124.637 -0.085 1
1 357 . 12 1 1 A 37 37 GLN H H 37 8.141 8.912 -0.771 1
1 358 . 12 1 1 A 37 37 GLN HA H 37 4.786 4.795 -0.009 1
1 365 . 12 1 1 A 37 37 GLN CA C 37 50.858 52.320 -1.462 1
1 366 . 12 1 1 A 37 37 GLN CB C 37 31.860 29.309 2.551 1
1 368 . 12 1 1 A 37 37 GLN N N 37 120.015 124.664 -4.649 1
1 370 . 12 1 1 A 38 38 PRO HA H 38 4.367 4.568 -0.201 1
1 377 . 12 1 1 A 38 38 PRO CA C 38 63.330 62.942 0.388 1
1 378 . 12 1 1 A 38 38 PRO CB C 38 31.750 30.197 1.553 1
1 381 . 12 1 1 A 39 39 MET H H 39 8.392 8.583 -0.191 1
1 382 . 12 1 1 A 39 39 MET HA H 39 2.792 4.297 -1.505 1
1 390 . 12 1 1 A 39 39 MET CA C 39 53.780 57.145 -3.365 1
1 391 . 12 1 1 A 39 39 MET CB C 39 34.410 32.763 1.647 1
1 394 . 12 1 1 A 39 39 MET N N 39 124.427 118.487 5.940 1
1 395 . 12 1 1 A 40 40 GLY H H 40 7.940 8.583 -0.643 1
1 396 . 12 1 1 A 40 40 GLY HA2 H 40 4.154 3.999 0.155 1
1 397 . 12 1 1 A 40 40 GLY HA3 H 40 3.763 4.049 -0.286 1
1 398 . 12 1 1 A 40 40 GLY CA C 40 48.114 45.343 2.771 1
1 399 . 12 1 1 A 40 40 GLY N N 40 108.664 107.366 1.298 1
1 400 . 12 1 1 A 41 41 GLY H H 41 7.959 8.680 -0.721 1
1 401 . 12 1 1 A 41 41 GLY HA2 H 41 4.323 4.046 0.277 1
1 402 . 12 1 1 A 41 41 GLY HA3 H 41 3.769 4.105 -0.336 1
1 403 . 12 1 1 A 41 41 GLY CA C 41 46.020 46.044 -0.024 1
1 404 . 12 1 1 A 41 41 GLY N N 41 114.027 107.566 6.461 1
1 405 . 12 1 1 A 42 42 TRP H H 42 8.667 8.719 -0.052 1
1 406 . 12 1 1 A 42 42 TRP HA H 42 4.408 5.364 -0.956 1
1 415 . 12 1 1 A 42 42 TRP CA C 42 58.925 56.205 2.720 1
1 416 . 12 1 1 A 42 42 TRP CB C 42 28.120 33.854 -5.734 1
1 422 . 12 1 1 A 42 42 TRP N N 42 122.097 123.899 -1.802 1
1 424 . 12 1 1 A 43 43 GLU H H 43 8.740 8.942 -0.202 1
1 425 . 12 1 1 A 43 43 GLU HA H 43 5.462 5.442 0.020 1
1 430 . 12 1 1 A 43 43 GLU CA C 43 54.410 55.358 -0.948 1
1 431 . 12 1 1 A 43 43 GLU CB C 43 33.980 33.282 0.698 1
1 433 . 12 1 1 A 43 43 GLU N N 43 120.300 121.326 -1.026 1
1 434 . 12 1 1 A 44 44 MET H H 44 9.658 9.604 0.054 1
1 435 . 12 1 1 A 44 44 MET HA H 44 5.488 5.224 0.264 1
1 443 . 12 1 1 A 44 44 MET CA C 44 53.360 54.140 -0.780 1
1 444 . 12 1 1 A 44 44 MET CB C 44 37.490 35.062 2.428 1
1 447 . 12 1 1 A 44 44 MET N N 44 126.477 127.123 -0.646 1
1 448 . 12 1 1 A 45 45 ILE H H 45 9.658 9.615 0.043 1
1 449 . 12 1 1 A 45 45 ILE HA H 45 4.781 4.605 0.176 1
1 459 . 12 1 1 A 45 45 ILE CA C 45 60.413 60.461 -0.048 1
1 460 . 12 1 1 A 45 45 ILE CB C 45 40.804 38.054 2.750 1
1 464 . 12 1 1 A 45 45 ILE N N 45 127.329 127.707 -0.378 1
1 465 . 12 1 1 A 46 46 ARG H H 46 9.217 8.980 0.237 1
1 466 . 12 1 1 A 46 46 ARG HA H 46 5.083 4.532 0.551 1
1 474 . 12 1 1 A 46 46 ARG CA C 46 53.760 55.715 -1.955 1
1 475 . 12 1 1 A 46 46 ARG CB C 46 33.559 30.817 2.742 1
1 478 . 12 1 1 A 46 46 ARG N N 46 126.837 128.810 -1.973 1
1 480 . 12 1 1 A 47 47 LYS H H 47 9.876 8.480 1.396 1
1 481 . 12 1 1 A 47 47 LYS HA H 47 5.257 5.099 0.158 1
1 490 . 12 1 1 A 47 47 LYS CA C 47 55.260 54.871 0.389 1
1 491 . 12 1 1 A 47 47 LYS CB C 47 34.860 35.319 -0.459 1
1 495 . 12 1 1 A 47 47 LYS N N 47 132.271 127.174 5.097 1
1 496 . 12 1 1 A 48 48 ILE H H 48 7.909 8.646 -0.737 1
1 497 . 12 1 1 A 48 48 ILE HA H 48 4.360 4.295 0.065 1
1 507 . 12 1 1 A 48 48 ILE CA C 48 61.132 62.190 -1.058 1
1 508 . 12 1 1 A 48 48 ILE CB C 48 40.316 40.658 -0.342 1
1 512 . 12 1 1 A 48 48 ILE N N 48 125.793 123.021 2.772 1
1 513 . 12 1 1 A 49 49 GLY H H 49 9.576 8.010 1.566 1
1 514 . 12 1 1 A 49 49 GLY HA2 H 49 4.021 4.090 -0.069 1
1 515 . 12 1 1 A 49 49 GLY HA3 H 49 3.730 4.096 -0.366 1
1 516 . 12 1 1 A 49 49 GLY CA C 49 46.910 44.390 2.520 1
1 517 . 12 1 1 A 49 49 GLY N N 49 120.665 110.275 10.390 1
1 518 . 12 1 1 A 50 50 ASP H H 50 8.935 8.521 0.414 1
1 519 . 12 1 1 A 50 50 ASP HA H 50 4.777 4.697 0.080 1
1 522 . 12 1 1 A 50 50 ASP CA C 50 54.000 54.508 -0.508 1
1 523 . 12 1 1 A 50 50 ASP CB C 50 40.520 41.212 -0.692 1
1 524 . 12 1 1 A 50 50 ASP N N 50 126.343 120.105 6.238 1
1 525 . 12 1 1 A 51 51 THR H H 51 8.253 7.497 0.756 1
1 526 . 12 1 1 A 51 51 THR HA H 51 4.638 4.699 -0.061 1
1 531 . 12 1 1 A 51 51 THR CA C 51 61.690 60.490 1.200 1
1 532 . 12 1 1 A 51 51 THR CB C 51 71.080 70.521 0.559 1
1 534 . 12 1 1 A 51 51 THR N N 51 115.167 113.494 1.673 1
1 535 . 12 1 1 A 52 52 SER H H 52 8.710 9.021 -0.311 1
1 536 . 12 1 1 A 52 52 SER HA H 52 5.318 5.456 -0.138 1
1 539 . 12 1 1 A 52 52 SER CA C 52 57.290 56.190 1.100 1
1 540 . 12 1 1 A 52 52 SER CB C 52 64.730 66.808 -2.078 1
1 541 . 12 1 1 A 52 52 SER N N 52 121.442 117.830 3.612 1
1 542 . 12 1 1 A 53 53 VAL H H 53 8.448 8.500 -0.052 1
1 543 . 12 1 1 A 53 53 VAL HA H 53 4.650 4.673 -0.023 1
1 551 . 12 1 1 A 53 53 VAL CA C 53 60.449 60.508 -0.059 1
1 552 . 12 1 1 A 53 53 VAL CB C 53 35.105 35.555 -0.450 1
1 555 . 12 1 1 A 53 53 VAL N N 53 121.387 120.203 1.184 1
1 556 . 12 1 1 A 54 54 SER H H 54 8.761 8.898 -0.137 1
1 557 . 12 1 1 A 54 54 SER HA H 54 5.760 5.651 0.109 1
1 560 . 12 1 1 A 54 54 SER CA C 54 57.180 57.056 0.124 1
1 561 . 12 1 1 A 54 54 SER CB C 54 65.910 66.073 -0.163 1
1 562 . 12 1 1 A 54 54 SER N N 54 118.025 125.114 -7.089 1
1 563 . 12 1 1 A 55 55 TYR H H 55 9.340 9.001 0.339 1
1 564 . 12 1 1 A 55 55 TYR HA H 55 4.175 5.210 -1.035 1
1 571 . 12 1 1 A 55 55 TYR CA C 55 57.100 57.780 -0.680 1
1 572 . 12 1 1 A 55 55 TYR CB C 55 39.870 41.783 -1.913 1
1 577 . 12 1 1 A 55 55 TYR N N 55 128.024 125.125 2.899 1
1 578 . 12 1 1 A 56 56 LYS H H 56 7.551 8.383 -0.832 1
1 579 . 12 1 1 A 56 56 LYS HA H 56 4.890 4.704 0.186 1
1 588 . 12 1 1 A 56 56 LYS CA C 56 54.117 55.094 -0.977 1
1 589 . 12 1 1 A 56 56 LYS CB C 56 33.610 33.816 -0.206 1
1 593 . 12 1 1 A 56 56 LYS N N 56 127.706 129.377 -1.671 1
1 594 . 12 1 1 A 57 57 TYR H H 57 8.247 9.130 -0.883 1
1 595 . 12 1 1 A 57 57 TYR HA H 57 3.996 4.680 -0.684 1
1 602 . 12 1 1 A 57 57 TYR CA C 57 59.032 58.482 0.550 1
1 603 . 12 1 1 A 57 57 TYR CB C 57 39.390 39.196 0.194 1
1 608 . 12 1 1 A 57 57 TYR N N 57 124.225 126.762 -2.537 1
1 609 . 12 1 1 A 58 58 THR H H 58 8.722 8.622 0.100 1
1 610 . 12 1 1 A 58 58 THR HA H 58 4.259 5.000 -0.741 1
1 615 . 12 1 1 A 58 58 THR CA C 58 62.250 59.639 2.611 1
1 616 . 12 1 1 A 58 58 THR CB C 58 69.280 71.472 -2.192 1
1 618 . 12 1 1 A 58 58 THR N N 58 116.096 114.509 1.587 1
1 619 . 12 1 1 A 59 59 SER H H 59 8.402 8.382 0.020 1
1 620 . 12 1 1 A 59 59 SER HA H 59 4.050 4.364 -0.314 1
1 623 . 12 1 1 A 59 59 SER CA C 59 61.680 57.204 4.476 1
1 624 . 12 1 1 A 59 59 SER CB C 59 63.210 63.151 0.059 1
1 625 . 12 1 1 A 59 59 SER N N 59 114.556 120.675 -6.119 1
1 626 . 12 1 1 A 60 60 ARG H H 60 8.176 8.003 0.173 1
1 627 . 12 1 1 A 60 60 ARG HA H 60 4.489 4.175 0.314 1
1 634 . 12 1 1 A 60 60 ARG CA C 60 54.960 58.603 -3.643 1
1 635 . 12 1 1 A 60 60 ARG CB C 60 29.846 30.116 -0.270 1
1 638 . 12 1 1 A 60 60 ARG N N 60 118.244 119.103 -0.859 1
1 639 . 12 1 1 A 61 61 TYR H H 61 7.617 7.116 0.501 1
1 640 . 12 1 1 A 61 61 TYR HA H 61 3.897 5.024 -1.127 1
1 647 . 12 1 1 A 61 61 TYR CA C 61 61.930 55.756 6.174 1
1 648 . 12 1 1 A 61 61 TYR CB C 61 38.670 40.963 -2.293 1
1 653 . 12 1 1 A 61 61 TYR N N 61 122.301 116.408 5.893 1
1 654 . 12 1 1 A 62 62 VAL H H 62 7.363 9.126 -1.763 1
1 655 . 12 1 1 A 62 62 VAL HA H 62 3.893 4.537 -0.644 1
1 663 . 12 1 1 A 62 62 VAL CA C 62 60.590 61.635 -1.045 1
1 664 . 12 1 1 A 62 62 VAL CB C 62 35.270 33.052 2.218 1
1 667 . 12 1 1 A 62 62 VAL N N 62 129.952 121.890 8.062 1
1 668 . 12 1 1 A 63 63 LEU H H 63 7.852 9.250 -1.398 1
1 669 . 12 1 1 A 63 63 LEU HA H 63 4.558 4.706 -0.148 1
1 679 . 12 1 1 A 63 63 LEU CA C 63 51.980 54.313 -2.333 1
1 680 . 12 1 1 A 63 63 LEU CB C 63 42.600 40.969 1.631 1
1 684 . 12 1 1 A 63 63 LEU N N 63 128.635 128.943 -0.308 1
1 685 . 12 1 1 A 64 64 LYS H H 64 8.770 8.044 0.726 1
1 686 . 12 1 1 A 64 64 LYS HA H 64 3.722 4.341 -0.619 1
1 695 . 12 1 1 A 64 64 LYS CA C 64 57.360 56.218 1.142 1
1 696 . 12 1 1 A 64 64 LYS CB C 64 32.381 33.254 -0.873 1
1 700 . 12 1 1 A 64 64 LYS N N 64 130.633 124.966 5.667 1
1 701 . 12 1 1 A 65 65 ALA H H 65 8.628 8.419 0.209 1
1 702 . 12 1 1 A 65 65 ALA HA H 65 3.557 4.173 -0.616 1
1 706 . 12 1 1 A 65 65 ALA CA C 65 53.700 53.915 -0.215 1
1 707 . 12 1 1 A 65 65 ALA CB C 65 18.660 18.380 0.280 1
1 708 . 12 1 1 A 65 65 ALA N N 65 123.214 124.883 -1.669 1
1 709 . 12 1 1 A 66 66 GLY H H 66 7.505 8.935 -1.430 1
1 710 . 12 1 1 A 66 66 GLY HA2 H 66 4.020 3.881 0.139 1
1 711 . 12 1 1 A 66 66 GLY HA3 H 66 4.020 3.885 0.135 1
1 712 . 12 1 1 A 66 66 GLY CA C 66 46.864 45.361 1.503 1
1 713 . 12 1 1 A 66 66 GLY N N 66 112.913 112.082 0.831 1
1 714 . 12 1 1 A 67 67 GLN H H 67 8.136 8.085 0.051 1
1 715 . 12 1 1 A 67 67 GLN HA H 67 4.436 4.258 0.178 1
1 722 . 12 1 1 A 67 67 GLN CA C 67 55.029 56.454 -1.425 1
1 723 . 12 1 1 A 67 67 GLN CB C 67 29.700 29.330 0.370 1
1 725 . 12 1 1 A 67 67 GLN N N 67 118.759 121.697 -2.938 1
1 727 . 12 1 1 A 68 68 THR H H 68 8.066 8.465 -0.399 1
1 728 . 12 1 1 A 68 68 THR HA H 68 5.414 5.303 0.111 1
1 733 . 12 1 1 A 68 68 THR CA C 68 60.050 60.936 -0.886 1
1 734 . 12 1 1 A 68 68 THR CB C 68 72.052 70.066 1.986 1
1 736 . 12 1 1 A 68 68 THR N N 68 111.842 116.927 -5.085 1
1 737 . 12 1 1 A 69 69 VAL H H 69 8.780 9.195 -0.415 1
1 738 . 12 1 1 A 69 69 VAL HA H 69 4.989 4.883 0.106 1
1 746 . 12 1 1 A 69 69 VAL CA C 69 59.265 60.363 -1.098 1
1 747 . 12 1 1 A 69 69 VAL CB C 69 33.600 33.911 -0.311 1
1 750 . 12 1 1 A 69 69 VAL N N 69 120.958 122.495 -1.537 1
1 751 . 12 1 1 A 70 70 THR H H 70 8.660 9.082 -0.422 1
1 752 . 12 1 1 A 70 70 THR HA H 70 4.618 5.243 -0.625 1
1 757 . 12 1 1 A 70 70 THR CA C 70 61.730 61.939 -0.209 1
1 758 . 12 1 1 A 70 70 THR CB C 70 69.550 69.829 -0.279 1
1 760 . 12 1 1 A 70 70 THR N N 70 125.533 121.809 3.724 1
1 761 . 12 1 1 A 71 71 ILE H H 71 8.994 9.267 -0.273 1
1 762 . 12 1 1 A 71 71 ILE HA H 71 4.369 4.777 -0.408 1
1 772 . 12 1 1 A 71 71 ILE CA C 71 59.162 60.347 -1.185 1
1 773 . 12 1 1 A 71 71 ILE CB C 71 36.826 37.859 -1.033 1
1 777 . 12 1 1 A 71 71 ILE N N 71 127.838 128.039 -0.201 1
1 778 . 12 1 1 A 72 72 TRP H H 72 9.270 9.458 -0.188 1
1 779 . 12 1 1 A 72 72 TRP HA H 72 5.167 5.107 0.060 1
1 788 . 12 1 1 A 72 72 TRP CA C 72 56.180 57.468 -1.288 1
1 789 . 12 1 1 A 72 72 TRP CB C 72 31.490 31.276 0.214 1
1 795 . 12 1 1 A 72 72 TRP N N 72 127.112 129.225 -2.113 1
1 797 . 12 1 1 A 73 73 ALA H H 73 9.010 9.142 -0.132 1
1 798 . 12 1 1 A 73 73 ALA HA H 73 4.617 4.987 -0.370 1
1 802 . 12 1 1 A 73 73 ALA CA C 73 52.110 51.332 0.778 1
1 803 . 12 1 1 A 73 73 ALA CB C 73 19.070 20.791 -1.721 1
1 804 . 12 1 1 A 73 73 ALA N N 73 122.140 124.558 -2.418 1
1 805 . 12 1 1 A 74 74 ALA H H 74 9.002 8.489 0.513 1
1 806 . 12 1 1 A 74 74 ALA HA H 74 4.042 4.036 0.006 1
1 810 . 12 1 1 A 74 74 ALA CA C 74 54.650 54.872 -0.222 1
1 811 . 12 1 1 A 74 74 ALA CB C 74 18.070 18.296 -0.226 1
1 812 . 12 1 1 A 74 74 ALA N N 74 123.213 121.385 1.828 1
1 813 . 12 1 1 A 75 75 ASN H H 75 8.162 7.920 0.242 1
1 814 . 12 1 1 A 75 75 ASN HA H 75 5.015 5.106 -0.091 1
1 819 . 12 1 1 A 75 75 ASN CA C 75 51.650 52.720 -1.070 1
1 820 . 12 1 1 A 75 75 ASN CB C 75 36.590 39.194 -2.604 1
1 821 . 12 1 1 A 75 75 ASN N N 75 112.259 114.498 -2.239 1
1 823 . 12 1 1 A 76 76 ALA H H 76 7.605 7.717 -0.112 1
1 824 . 12 1 1 A 76 76 ALA HA H 76 4.281 4.379 -0.098 1
1 828 . 12 1 1 A 76 76 ALA CA C 76 53.203 54.646 -1.443 1
1 829 . 12 1 1 A 76 76 ALA CB C 76 20.210 19.486 0.724 1
1 830 . 12 1 1 A 76 76 ALA N N 76 120.777 123.422 -2.645 1
1 831 . 12 1 1 A 77 77 GLY H H 77 8.449 7.910 0.539 1
1 832 . 12 1 1 A 77 77 GLY HA2 H 77 3.960 3.866 0.094 1
1 833 . 12 1 1 A 77 77 GLY HA3 H 77 3.537 3.902 -0.365 1
1 834 . 12 1 1 A 77 77 GLY CA C 77 45.410 44.995 0.415 1
1 835 . 12 1 1 A 77 77 GLY N N 77 107.064 106.905 0.159 1
1 836 . 12 1 1 A 78 78 VAL H H 78 7.286 7.429 -0.143 1
1 837 . 12 1 1 A 78 78 VAL HA H 78 3.804 4.041 -0.237 1
1 845 . 12 1 1 A 78 78 VAL CA C 78 60.736 61.421 -0.685 1
1 846 . 12 1 1 A 78 78 VAL CB C 78 33.590 32.377 1.213 1
1 849 . 12 1 1 A 78 78 VAL N N 78 120.566 118.843 1.723 1
1 850 . 12 1 1 A 79 79 THR H H 79 8.148 8.323 -0.175 1
1 851 . 12 1 1 A 79 79 THR HA H 79 4.145 4.387 -0.242 1
1 856 . 12 1 1 A 79 79 THR CA C 79 61.395 62.236 -0.841 1
1 857 . 12 1 1 A 79 79 THR CB C 79 69.620 69.403 0.217 1
1 859 . 12 1 1 A 79 79 THR N N 79 121.617 116.543 5.074 1
1 860 . 12 1 1 A 80 80 ALA H H 80 8.593 8.407 0.186 1
1 861 . 12 1 1 A 80 80 ALA HA H 80 3.703 4.324 -0.621 1
1 865 . 12 1 1 A 80 80 ALA CA C 80 53.410 51.671 1.739 1
1 866 . 12 1 1 A 80 80 ALA CB C 80 19.180 18.505 0.675 1
1 867 . 12 1 1 A 80 80 ALA N N 80 126.311 128.013 -1.702 1
1 868 . 12 1 1 A 81 81 SER H H 81 9.101 8.591 0.510 1
1 869 . 12 1 1 A 81 81 SER HA H 81 4.747 4.158 0.589 1
1 872 . 12 1 1 A 81 81 SER CA C 81 55.046 58.633 -3.587 1
1 873 . 12 1 1 A 81 81 SER CB C 81 62.680 61.903 0.777 1
1 874 . 12 1 1 A 81 81 SER N N 81 114.816 116.478 -1.662 1
1 875 . 12 1 1 A 82 82 PRO HA H 82 4.328 4.367 -0.039 1
1 882 . 12 1 1 A 82 82 PRO CA C 82 62.158 64.930 -2.772 1
1 883 . 12 1 1 A 82 82 PRO CB C 82 30.480 31.706 -1.226 1
1 886 . 12 1 1 A 83 83 PRO HA H 83 4.821 4.700 0.121 1
1 893 . 12 1 1 A 83 83 PRO CA C 83 64.384 62.215 2.169 1
1 894 . 12 1 1 A 83 83 PRO CB C 83 34.750 32.352 2.398 1
1 897 . 12 1 1 A 84 84 THR H H 84 8.007 8.585 -0.578 1
1 898 . 12 1 1 A 84 84 THR HA H 84 4.567 4.440 0.127 1
1 903 . 12 1 1 A 84 84 THR CA C 84 64.770 62.982 1.788 1
1 904 . 12 1 1 A 84 84 THR CB C 84 69.370 71.275 -1.905 1
1 906 . 12 1 1 A 84 84 THR N N 84 114.629 115.547 -0.918 1
1 907 . 12 1 1 A 85 85 ASP H H 85 7.952 8.216 -0.264 1
1 908 . 12 1 1 A 85 85 ASP HA H 85 5.950 5.010 0.940 1
1 911 . 12 1 1 A 85 85 ASP CA C 85 54.110 53.968 0.142 1
1 912 . 12 1 1 A 85 85 ASP CB C 85 43.510 41.292 2.218 1
1 913 . 12 1 1 A 85 85 ASP N N 85 124.539 121.168 3.371 1
1 914 . 12 1 1 A 86 86 LEU H H 86 9.271 9.327 -0.056 1
1 915 . 12 1 1 A 86 86 LEU HA H 86 4.953 4.869 0.084 1
1 925 . 12 1 1 A 86 86 LEU CA C 86 52.230 53.991 -1.761 1
1 926 . 12 1 1 A 86 86 LEU CB C 86 44.070 42.097 1.973 1
1 930 . 12 1 1 A 86 86 LEU N N 86 124.265 125.956 -1.691 1
1 931 . 12 1 1 A 87 87 ILE H H 87 8.691 8.894 -0.203 1
1 932 . 12 1 1 A 87 87 ILE HA H 87 4.802 4.672 0.130 1
1 942 . 12 1 1 A 87 87 ILE CA C 87 58.694 61.100 -2.406 1
1 943 . 12 1 1 A 87 87 ILE CB C 87 37.945 36.986 0.959 1
1 947 . 12 1 1 A 87 87 ILE N N 87 119.475 125.197 -5.722 1
1 948 . 12 1 1 A 88 88 TRP H H 88 9.755 9.284 0.471 1
1 949 . 12 1 1 A 88 88 TRP HA H 88 4.918 4.597 0.321 1
1 958 . 12 1 1 A 88 88 TRP CA C 88 54.900 55.648 -0.748 1
1 959 . 12 1 1 A 88 88 TRP CB C 88 27.270 28.710 -1.440 1
1 965 . 12 1 1 A 88 88 TRP N N 88 132.610 130.501 2.109 1
1 967 . 12 1 1 A 89 89 LYS H H 89 8.282 8.232 0.050 1
1 968 . 12 1 1 A 89 89 LYS HA H 89 3.996 4.167 -0.171 1
1 977 . 12 1 1 A 89 89 LYS CA C 89 58.847 57.144 1.703 1
1 978 . 12 1 1 A 89 89 LYS CB C 89 32.360 31.825 0.535 1
1 982 . 12 1 1 A 89 89 LYS N N 89 125.513 126.137 -0.624 1
1 983 . 12 1 1 A 90 90 ASN H H 90 8.810 7.272 1.538 1
1 984 . 12 1 1 A 90 90 ASN HA H 90 4.434 4.321 0.113 1
1 989 . 12 1 1 A 90 90 ASN CA C 90 54.010 54.935 -0.925 1
1 990 . 12 1 1 A 90 90 ASN CB C 90 37.770 39.065 -1.295 1
1 991 . 12 1 1 A 90 90 ASN N N 90 114.946 115.098 -0.152 1
1 993 . 12 1 1 A 91 91 GLN H H 91 7.546 6.744 0.802 1
1 994 . 12 1 1 A 91 91 GLN HA H 91 4.412 4.457 -0.045 1
1 1001 . 12 1 1 A 91 91 GLN CA C 91 53.520 54.870 -1.350 1
1 1002 . 12 1 1 A 91 91 GLN CB C 91 28.470 32.188 -3.718 1
1 1004 . 12 1 1 A 91 91 GLN N N 91 117.746 116.215 1.531 1
1 1006 . 12 1 1 A 92 92 ASN H H 92 8.451 8.711 -0.260 1
1 1007 . 12 1 1 A 92 92 ASN HA H 92 4.876 4.944 -0.068 1
1 1012 . 12 1 1 A 92 92 ASN CA C 92 52.080 52.916 -0.836 1
1 1013 . 12 1 1 A 92 92 ASN CB C 92 39.400 39.743 -0.343 1
1 1014 . 12 1 1 A 92 92 ASN N N 92 123.697 122.216 1.481 1
1 1016 . 12 1 1 A 93 93 SER H H 93 9.337 8.793 0.544 1
1 1017 . 12 1 1 A 93 93 SER HA H 93 3.977 4.614 -0.637 1
1 1020 . 12 1 1 A 93 93 SER CA C 93 58.940 58.881 0.059 1
1 1021 . 12 1 1 A 93 93 SER CB C 93 62.940 64.026 -1.086 1
1 1022 . 12 1 1 A 93 93 SER N N 93 117.010 115.352 1.658 1
1 1023 . 12 1 1 A 94 94 TRP H H 94 7.857 7.851 0.006 1
1 1024 . 12 1 1 A 94 94 TRP HA H 94 4.905 5.726 -0.821 1
1 1033 . 12 1 1 A 94 94 TRP CA C 94 56.770 55.249 1.521 1
1 1034 . 12 1 1 A 94 94 TRP CB C 94 27.900 33.061 -5.161 1
1 1039 . 12 1 1 A 94 94 TRP N N 94 120.449 119.099 1.350 1
1 1041 . 12 1 1 A 95 95 GLY H H 95 7.795 8.691 -0.896 1
1 1042 . 12 1 1 A 95 95 GLY HA2 H 95 3.953 4.243 -0.290 1
1 1043 . 12 1 1 A 95 95 GLY HA3 H 95 3.763 4.347 -0.584 1
1 1044 . 12 1 1 A 95 95 GLY CA C 95 45.487 45.742 -0.255 1
1 1045 . 12 1 1 A 95 95 GLY N N 95 109.481 107.173 2.308 1
1 1046 . 12 1 1 A 96 96 THR H H 96 8.028 8.131 -0.103 1
1 1047 . 12 1 1 A 96 96 THR HA H 96 4.696 4.517 0.179 1
1 1052 . 12 1 1 A 96 96 THR CA C 96 60.880 61.993 -1.113 1
1 1053 . 12 1 1 A 96 96 THR CB C 96 70.040 68.916 1.124 1
1 1055 . 12 1 1 A 96 96 THR N N 96 112.538 115.679 -3.141 1
1 1056 . 12 1 1 A 97 97 GLY H H 97 8.443 8.229 0.214 1
1 1057 . 12 1 1 A 97 97 GLY HA2 H 97 3.482 3.877 -0.395 1
1 1058 . 12 1 1 A 97 97 GLY HA3 H 97 3.862 3.921 -0.059 1
1 1059 . 12 1 1 A 97 97 GLY CA C 97 45.945 45.144 0.801 1
1 1060 . 12 1 1 A 97 97 GLY N N 97 111.464 110.452 1.012 1
1 1061 . 12 1 1 A 98 98 GLU H H 98 8.010 7.938 0.072 1
1 1062 . 12 1 1 A 98 98 GLU HA H 98 4.471 4.631 -0.160 1
1 1067 . 12 1 1 A 98 98 GLU CA C 98 54.730 55.466 -0.736 1
1 1068 . 12 1 1 A 98 98 GLU CB C 98 30.719 31.311 -0.592 1
1 1070 . 12 1 1 A 98 98 GLU N N 98 118.563 120.854 -2.291 1
1 1071 . 12 1 1 A 99 99 ASP H H 99 8.680 8.765 -0.085 1
1 1072 . 12 1 1 A 99 99 ASP HA H 99 4.612 5.032 -0.420 1
1 1075 . 12 1 1 A 99 99 ASP CA C 99 54.451 54.637 -0.186 1
1 1076 . 12 1 1 A 99 99 ASP CB C 99 39.540 41.086 -1.546 1
1 1077 . 12 1 1 A 99 99 ASP N N 99 122.219 122.102 0.117 1
1 1078 . 12 1 1 A 100 100 VAL H H 100 8.215 7.846 0.369 1
1 1079 . 12 1 1 A 100 100 VAL HA H 100 4.495 4.386 0.109 1
1 1087 . 12 1 1 A 100 100 VAL CA C 100 60.920 62.087 -1.167 1
1 1088 . 12 1 1 A 100 100 VAL CB C 100 34.150 31.948 2.202 1
1 1091 . 12 1 1 A 100 100 VAL N N 100 123.901 124.023 -0.122 1
1 1092 . 12 1 1 A 101 101 LYS H H 101 8.600 8.488 0.112 1
1 1093 . 12 1 1 A 101 101 LYS HA H 101 5.112 4.659 0.453 1
1 1102 . 12 1 1 A 101 101 LYS CA C 101 54.718 55.502 -0.784 1
1 1103 . 12 1 1 A 101 101 LYS CB C 101 35.326 33.398 1.928 1
1 1107 . 12 1 1 A 101 101 LYS N N 101 126.635 129.896 -3.261 1
1 1108 . 12 1 1 A 102 102 VAL H H 102 9.209 8.579 0.630 1
1 1109 . 12 1 1 A 102 102 VAL HA H 102 5.405 4.253 1.152 1
1 1117 . 12 1 1 A 102 102 VAL CA C 102 59.950 62.182 -2.232 1
1 1118 . 12 1 1 A 102 102 VAL CB C 102 34.420 32.069 2.351 1
1 1121 . 12 1 1 A 102 102 VAL N N 102 125.573 127.467 -1.894 1
1 1122 . 12 1 1 A 103 103 ILE H H 103 8.968 9.301 -0.333 1
1 1123 . 12 1 1 A 103 103 ILE HA H 103 4.671 4.848 -0.177 1
1 1133 . 12 1 1 A 103 103 ILE CA C 103 59.790 59.807 -0.017 1
1 1134 . 12 1 1 A 103 103 ILE CB C 103 42.522 39.518 3.004 1
1 1138 . 12 1 1 A 103 103 ILE N N 103 125.593 129.618 -4.025 1
1 1139 . 12 1 1 A 104 104 LEU H H 104 9.017 9.195 -0.178 1
1 1140 . 12 1 1 A 104 104 LEU HA H 104 5.361 5.086 0.275 1
1 1150 . 12 1 1 A 104 104 LEU CA C 104 52.800 53.911 -1.111 1
1 1151 . 12 1 1 A 104 104 LEU CB C 104 46.200 42.882 3.318 1
1 1155 . 12 1 1 A 104 104 LEU N N 104 127.791 127.955 -0.164 1
1 1156 . 12 1 1 A 105 105 LYS H H 105 9.674 9.021 0.653 1
1 1157 . 12 1 1 A 105 105 LYS HA H 105 5.194 4.833 0.361 1
1 1166 . 12 1 1 A 105 105 LYS CA C 105 53.780 53.432 0.348 1
1 1167 . 12 1 1 A 105 105 LYS CB C 105 36.330 34.536 1.794 1
1 1171 . 12 1 1 A 105 105 LYS N N 105 126.536 124.225 2.311 1
1 1172 . 12 1 1 A 106 106 ASN H H 106 7.774 8.714 -0.940 1
1 1173 . 12 1 1 A 106 106 ASN HA H 106 2.714 4.529 -1.815 1
1 1178 . 12 1 1 A 106 106 ASN CA C 106 49.530 52.513 -2.983 1
1 1179 . 12 1 1 A 106 106 ASN CB C 106 36.940 39.167 -2.227 1
1 1180 . 12 1 1 A 106 106 ASN N N 106 116.550 119.510 -2.960 1
1 1182 . 12 1 1 A 107 107 SER H H 107 6.988 8.285 -1.297 1
1 1183 . 12 1 1 A 107 107 SER HA H 107 4.092 4.473 -0.381 1
1 1186 . 12 1 1 A 107 107 SER CA C 107 60.490 58.839 1.651 1
1 1187 . 12 1 1 A 107 107 SER CB C 107 62.510 62.822 -0.312 1
1 1188 . 12 1 1 A 107 107 SER N N 107 112.400 116.891 -4.491 1
1 1189 . 12 1 1 A 108 108 GLN H H 108 7.414 7.819 -0.405 1
1 1190 . 12 1 1 A 108 108 GLN HA H 108 4.404 4.534 -0.130 1
1 1197 . 12 1 1 A 108 108 GLN CA C 108 55.470 55.803 -0.333 1
1 1198 . 12 1 1 A 108 108 GLN CB C 108 28.400 31.490 -3.090 1
1 1200 . 12 1 1 A 108 108 GLN N N 108 119.000 120.341 -1.341 1
1 1202 . 12 1 1 A 109 109 GLY H H 109 7.835 7.822 0.013 1
1 1203 . 12 1 1 A 109 109 GLY HA2 H 109 4.136 4.005 0.131 1
1 1204 . 12 1 1 A 109 109 GLY HA3 H 109 3.530 4.007 -0.477 1
1 1205 . 12 1 1 A 109 109 GLY CA C 109 45.549 45.340 0.209 1
1 1206 . 12 1 1 A 109 109 GLY N N 109 107.333 106.795 0.538 1
1 1207 . 12 1 1 A 110 110 GLU H H 110 7.562 8.002 -0.440 1
1 1208 . 12 1 1 A 110 110 GLU HA H 110 4.209 4.370 -0.161 1
1 1213 . 12 1 1 A 110 110 GLU CA C 110 54.320 56.250 -1.930 1
1 1214 . 12 1 1 A 110 110 GLU CB C 110 29.760 30.567 -0.807 1
1 1216 . 12 1 1 A 110 110 GLU N N 110 120.137 120.462 -0.325 1
1 1217 . 12 1 1 A 111 111 GLU H H 111 8.799 8.438 0.361 1
1 1218 . 12 1 1 A 111 111 GLU HA H 111 4.194 4.936 -0.742 1
1 1223 . 12 1 1 A 111 111 GLU CA C 111 57.160 55.068 2.092 1
1 1224 . 12 1 1 A 111 111 GLU CB C 111 29.175 33.146 -3.971 1
1 1226 . 12 1 1 A 111 111 GLU N N 111 123.867 122.594 1.273 1
1 1227 . 12 1 1 A 112 112 VAL H H 112 9.093 8.819 0.274 1
1 1228 . 12 1 1 A 112 112 VAL HA H 112 4.330 4.400 -0.070 1
1 1236 . 12 1 1 A 112 112 VAL CA C 112 61.529 62.065 -0.536 1
1 1237 . 12 1 1 A 112 112 VAL CB C 112 33.230 33.533 -0.303 1
1 1240 . 12 1 1 A 112 112 VAL N N 112 122.642 121.493 1.149 1
1 1241 . 12 1 1 A 113 113 ALA H H 113 7.793 7.333 0.460 1
1 1242 . 12 1 1 A 113 113 ALA HA H 113 4.770 4.797 -0.027 1
1 1246 . 12 1 1 A 113 113 ALA CA C 113 52.449 51.558 0.891 1
1 1247 . 12 1 1 A 113 113 ALA CB C 113 22.400 22.776 -0.376 1
1 1248 . 12 1 1 A 113 113 ALA N N 113 121.070 121.890 -0.820 1
1 1249 . 12 1 1 A 114 114 GLN H H 114 8.450 8.777 -0.327 1
1 1250 . 12 1 1 A 114 114 GLN HA H 114 5.404 5.404 0.000 1
1 1257 . 12 1 1 A 114 114 GLN CA C 114 54.830 54.530 0.300 1
1 1258 . 12 1 1 A 114 114 GLN CB C 114 32.307 32.731 -0.424 1
1 1260 . 12 1 1 A 114 114 GLN N N 114 115.851 115.490 0.361 1
1 1262 . 12 1 1 A 115 115 ARG H H 115 8.989 8.432 0.557 1
1 1263 . 12 1 1 A 115 115 ARG HA H 115 4.555 4.712 -0.157 1
1 1270 . 12 1 1 A 115 115 ARG CA C 115 56.350 55.519 0.831 1
1 1271 . 12 1 1 A 115 115 ARG CB C 115 33.730 34.465 -0.735 1
1 1274 . 12 1 1 A 115 115 ARG N N 115 122.920 121.914 1.006 1
1 1275 . 12 1 1 A 116 116 SER H H 116 8.511 8.804 -0.293 1
1 1276 . 12 1 1 A 116 116 SER HA H 116 5.756 5.374 0.382 1
1 1279 . 12 1 1 A 116 116 SER CA C 116 56.400 56.544 -0.144 1
1 1280 . 12 1 1 A 116 116 SER CB C 116 65.770 66.935 -1.165 1
1 1281 . 12 1 1 A 116 116 SER N N 116 119.807 115.617 4.190 1
1 1282 . 12 1 1 A 117 117 THR H H 117 8.801 8.310 0.491 1
1 1283 . 12 1 1 A 117 117 THR HA H 117 4.378 4.341 0.037 1
1 1288 . 12 1 1 A 117 117 THR CA C 117 62.160 60.997 1.163 1
1 1289 . 12 1 1 A 117 117 THR CB C 117 70.010 69.633 0.377 1
1 1291 . 12 1 1 A 117 117 THR N N 117 116.435 112.747 3.688 1
1 1292 . 12 1 1 A 118 118 VAL H H 118 8.165 8.713 -0.548 1
1 1293 . 12 1 1 A 118 118 VAL HA H 118 4.227 4.527 -0.300 1
1 1301 . 12 1 1 A 118 118 VAL CA C 118 61.320 61.682 -0.362 1
1 1302 . 12 1 1 A 118 118 VAL CB C 118 32.931 31.630 1.301 1
1 1305 . 12 1 1 A 118 118 VAL N N 118 122.111 126.176 -4.065 1
1 1306 . 12 1 1 A 119 119 PHE H H 119 8.580 8.934 -0.354 1
1 1307 . 12 1 1 A 119 119 PHE HA H 119 4.655 4.663 -0.008 1
1 1314 . 12 1 1 A 119 119 PHE CA C 119 57.520 58.538 -1.018 1
1 1315 . 12 1 1 A 119 119 PHE CB C 119 39.550 38.790 0.760 1
1 1320 . 12 1 1 A 119 119 PHE N N 119 126.006 127.816 -1.810 1
1 1321 . 12 1 1 A 120 120 LYS H H 120 8.346 8.808 -0.462 1
1 1322 . 12 1 1 A 120 120 LYS HA H 120 4.432 4.721 -0.289 1
1 1331 . 12 1 1 A 120 120 LYS CA C 120 55.740 56.013 -0.273 1
1 1332 . 12 1 1 A 120 120 LYS CB C 120 33.290 32.886 0.404 1
1 1336 . 12 1 1 A 120 120 LYS N N 120 124.095 125.144 -1.049 1
1 1337 . 12 1 1 A 121 121 THR H H 121 8.294 8.740 -0.446 1
1 1338 . 12 1 1 A 121 121 THR HA H 121 4.394 4.492 -0.098 1
1 1343 . 12 1 1 A 121 121 THR CA C 121 61.610 63.415 -1.805 1
1 1344 . 12 1 1 A 121 121 THR CB C 121 69.640 68.346 1.294 1
1 1346 . 12 1 1 A 121 121 THR N N 121 116.359 121.356 -4.997 1
1 1 . 13 1 1 A 3 3 HIS H H 3 8.528 7.913 0.615 1
1 2 . 13 1 1 A 3 3 HIS HA H 3 4.626 4.493 0.133 1
1 5 . 13 1 1 A 3 3 HIS CA C 3 55.260 55.421 -0.161 1
1 6 . 13 1 1 A 3 3 HIS CB C 3 29.250 28.373 0.877 1
1 7 . 13 1 1 A 3 3 HIS N N 3 118.990 119.156 -0.166 1
1 8 . 13 1 1 A 4 4 HIS H H 4 8.528 7.506 1.022 1
1 9 . 13 1 1 A 4 4 HIS HA H 4 4.624 4.890 -0.266 1
1 12 . 13 1 1 A 4 4 HIS CA C 4 55.277 54.526 0.751 1
1 13 . 13 1 1 A 4 4 HIS CB C 4 29.002 31.677 -2.675 1
1 14 . 13 1 1 A 4 4 HIS N N 4 118.990 118.362 0.628 1
1 15 . 13 1 1 A 5 5 HIS H H 5 8.579 8.762 -0.183 1
1 16 . 13 1 1 A 5 5 HIS HA H 5 4.737 4.941 -0.204 1
1 19 . 13 1 1 A 5 5 HIS CA C 5 55.330 54.412 0.918 1
1 20 . 13 1 1 A 5 5 HIS CB C 5 29.257 33.166 -3.909 1
1 21 . 13 1 1 A 5 5 HIS N N 5 119.720 121.175 -1.455 1
1 22 . 13 1 1 A 6 6 HIS H H 6 8.603 8.862 -0.259 1
1 23 . 13 1 1 A 6 6 HIS HA H 6 4.674 5.204 -0.530 1
1 26 . 13 1 1 A 6 6 HIS CA C 6 55.150 54.805 0.345 1
1 27 . 13 1 1 A 6 6 HIS CB C 6 27.340 33.763 -6.423 1
1 28 . 13 1 1 A 6 6 HIS N N 6 121.420 118.041 3.379 1
1 29 . 13 1 1 A 7 7 HIS H H 7 8.706 8.938 -0.232 1
1 30 . 13 1 1 A 7 7 HIS HA H 7 4.658 5.370 -0.712 1
1 33 . 13 1 1 A 7 7 HIS CA C 7 55.100 53.772 1.328 1
1 34 . 13 1 1 A 7 7 HIS CB C 7 29.300 32.417 -3.117 1
1 35 . 13 1 1 A 7 7 HIS N N 7 121.200 121.580 -0.380 1
1 36 . 13 1 1 A 8 8 HIS H H 8 8.706 8.951 -0.245 1
1 37 . 13 1 1 A 8 8 HIS HA H 8 4.706 4.588 0.118 1
1 40 . 13 1 1 A 8 8 HIS CA C 8 55.156 55.994 -0.838 1
1 41 . 13 1 1 A 8 8 HIS CB C 8 29.396 29.473 -0.077 1
1 42 . 13 1 1 A 8 8 HIS N N 8 121.200 126.359 -5.159 1
1 43 . 13 1 1 A 9 9 SER H H 9 8.551 8.895 -0.344 1
1 44 . 13 1 1 A 9 9 SER HA H 9 4.450 5.097 -0.647 1
1 47 . 13 1 1 A 9 9 SER CA C 9 58.200 57.703 0.497 1
1 48 . 13 1 1 A 9 9 SER CB C 9 63.740 65.397 -1.657 1
1 49 . 13 1 1 A 9 9 SER N N 9 118.046 121.348 -3.302 1
1 50 . 13 1 1 A 10 10 HIS H H 10 8.770 9.235 -0.465 1
1 51 . 13 1 1 A 10 10 HIS HA H 10 4.726 5.045 -0.319 1
1 54 . 13 1 1 A 10 10 HIS CA C 10 55.640 54.461 1.179 1
1 55 . 13 1 1 A 10 10 HIS CB C 10 29.172 30.634 -1.462 1
1 56 . 13 1 1 A 10 10 HIS N N 10 120.412 119.427 0.985 1
1 57 . 13 1 1 A 11 11 MET H H 11 8.528 8.818 -0.290 1
1 58 . 13 1 1 A 11 11 MET HA H 11 4.658 4.965 -0.307 1
1 66 . 13 1 1 A 11 11 MET CA C 11 55.438 54.770 0.668 1
1 67 . 13 1 1 A 11 11 MET CB C 11 33.090 35.285 -2.195 1
1 70 . 13 1 1 A 11 11 MET N N 11 122.400 124.166 -1.766 1
1 71 . 13 1 1 A 12 12 THR H H 12 8.339 8.966 -0.627 1
1 72 . 13 1 1 A 12 12 THR HA H 12 4.450 3.953 0.497 1
1 77 . 13 1 1 A 12 12 THR CA C 12 61.810 65.045 -3.235 1
1 78 . 13 1 1 A 12 12 THR CB C 12 70.450 69.962 0.488 1
1 80 . 13 1 1 A 12 12 THR N N 12 115.700 120.900 -5.200 1
1 81 . 13 1 1 A 13 13 GLY H H 13 8.426 7.799 0.627 1
1 82 . 13 1 1 A 13 13 GLY HA2 H 13 4.287 4.012 0.275 1
1 83 . 13 1 1 A 13 13 GLY HA3 H 13 3.877 4.040 -0.163 1
1 84 . 13 1 1 A 13 13 GLY CA C 13 45.243 44.816 0.427 1
1 85 . 13 1 1 A 13 13 GLY N N 13 110.872 108.299 2.573 1
1 86 . 13 1 1 A 14 14 ASN H H 14 8.374 8.045 0.329 1
1 87 . 13 1 1 A 14 14 ASN HA H 14 4.720 5.442 -0.722 1
1 92 . 13 1 1 A 14 14 ASN CA C 14 54.200 52.551 1.649 1
1 93 . 13 1 1 A 14 14 ASN CB C 14 39.210 40.027 -0.817 1
1 94 . 13 1 1 A 14 14 ASN N N 14 117.789 116.882 0.907 1
1 96 . 13 1 1 A 15 15 VAL H H 15 7.890 8.935 -1.045 1
1 97 . 13 1 1 A 15 15 VAL HA H 15 4.843 4.682 0.161 1
1 105 . 13 1 1 A 15 15 VAL CA C 15 61.759 61.221 0.538 1
1 106 . 13 1 1 A 15 15 VAL CB C 15 33.230 31.635 1.595 1
1 109 . 13 1 1 A 15 15 VAL N N 15 118.720 124.502 -5.782 1
1 110 . 13 1 1 A 16 16 CYS H H 16 9.060 8.860 0.200 1
1 111 . 13 1 1 A 16 16 CYS HA H 16 4.899 5.289 -0.390 1
1 114 . 13 1 1 A 16 16 CYS CA C 16 54.620 56.513 -1.893 1
1 115 . 13 1 1 A 16 16 CYS CB C 16 30.900 31.139 -0.239 1
1 116 . 13 1 1 A 16 16 CYS N N 16 122.674 125.797 -3.123 1
1 117 . 13 1 1 A 17 17 ILE H H 17 8.845 8.828 0.017 1
1 118 . 13 1 1 A 17 17 ILE HA H 17 4.153 4.106 0.047 1
1 128 . 13 1 1 A 17 17 ILE CA C 17 61.080 61.503 -0.423 1
1 129 . 13 1 1 A 17 17 ILE CB C 17 36.397 37.288 -0.891 1
1 133 . 13 1 1 A 17 17 ILE N N 17 122.609 123.290 -0.681 1
1 134 . 13 1 1 A 18 18 GLU H H 18 8.917 9.264 -0.347 1
1 135 . 13 1 1 A 18 18 GLU HA H 18 4.230 4.261 -0.031 1
1 140 . 13 1 1 A 18 18 GLU CA C 18 57.160 58.097 -0.937 1
1 141 . 13 1 1 A 18 18 GLU CB C 18 30.550 31.245 -0.695 1
1 143 . 13 1 1 A 18 18 GLU N N 18 130.894 129.630 1.264 1
1 144 . 13 1 1 A 19 19 GLU H H 19 7.853 7.366 0.487 1
1 145 . 13 1 1 A 19 19 GLU HA H 19 4.470 4.601 -0.131 1
1 150 . 13 1 1 A 19 19 GLU CA C 19 56.110 56.171 -0.061 1
1 151 . 13 1 1 A 19 19 GLU CB C 19 33.847 33.537 0.310 1
1 153 . 13 1 1 A 19 19 GLU N N 19 115.069 117.553 -2.484 1
1 154 . 13 1 1 A 20 20 ILE H H 20 8.744 8.879 -0.135 1
1 155 . 13 1 1 A 20 20 ILE HA H 20 4.080 4.591 -0.511 1
1 165 . 13 1 1 A 20 20 ILE CA C 20 60.619 59.891 0.728 1
1 166 . 13 1 1 A 20 20 ILE CB C 20 39.170 40.483 -1.313 1
1 170 . 13 1 1 A 20 20 ILE N N 20 127.309 126.550 0.759 1
1 171 . 13 1 1 A 21 21 ASP H H 21 7.468 8.328 -0.860 1
1 172 . 13 1 1 A 21 21 ASP HA H 21 3.949 4.511 -0.562 1
1 175 . 13 1 1 A 21 21 ASP CA C 21 54.970 54.471 0.499 1
1 176 . 13 1 1 A 21 21 ASP CB C 21 42.170 41.362 0.808 1
1 177 . 13 1 1 A 21 21 ASP N N 21 124.858 127.357 -2.499 1
1 178 . 13 1 1 A 22 22 VAL H H 22 8.650 8.890 -0.240 1
1 179 . 13 1 1 A 22 22 VAL HA H 22 3.998 4.287 -0.289 1
1 187 . 13 1 1 A 22 22 VAL CA C 22 64.445 63.126 1.319 1
1 188 . 13 1 1 A 22 22 VAL CB C 22 31.244 31.628 -0.384 1
1 191 . 13 1 1 A 22 22 VAL N N 22 130.172 126.624 3.548 1
1 192 . 13 1 1 A 23 23 ASP H H 23 7.482 8.212 -0.730 1
1 193 . 13 1 1 A 23 23 ASP HA H 23 4.711 4.823 -0.112 1
1 196 . 13 1 1 A 23 23 ASP CA C 23 53.920 55.469 -1.549 1
1 197 . 13 1 1 A 23 23 ASP CB C 23 40.100 43.374 -3.274 1
1 198 . 13 1 1 A 23 23 ASP N N 23 118.547 121.679 -3.132 1
1 199 . 13 1 1 A 24 24 GLY H H 24 7.220 7.636 -0.416 1
1 200 . 13 1 1 A 24 24 GLY HA2 H 24 2.950 2.442 0.508 1
1 201 . 13 1 1 A 24 24 GLY HA3 H 24 2.407 2.871 -0.464 1
1 202 . 13 1 1 A 24 24 GLY CA C 24 45.040 44.103 0.937 1
1 203 . 13 1 1 A 24 24 GLY N N 24 105.293 107.720 -2.427 1
1 204 . 13 1 1 A 25 25 LYS H H 25 8.757 7.913 0.844 1
1 205 . 13 1 1 A 25 25 LYS HA H 25 3.964 4.112 -0.148 1
1 214 . 13 1 1 A 25 25 LYS CA C 25 56.590 57.888 -1.298 1
1 215 . 13 1 1 A 25 25 LYS CB C 25 33.660 33.031 0.629 1
1 219 . 13 1 1 A 25 25 LYS N N 25 111.753 118.208 -6.455 1
1 220 . 13 1 1 A 26 26 PHE H H 26 6.380 7.226 -0.846 1
1 221 . 13 1 1 A 26 26 PHE HA H 26 5.753 5.199 0.554 1
1 229 . 13 1 1 A 26 26 PHE CA C 26 56.370 56.310 0.060 1
1 230 . 13 1 1 A 26 26 PHE CB C 26 40.030 40.490 -0.460 1
1 236 . 13 1 1 A 26 26 PHE N N 26 110.097 113.750 -3.653 1
1 237 . 13 1 1 A 27 27 ILE H H 27 8.601 9.054 -0.453 1
1 238 . 13 1 1 A 27 27 ILE HA H 27 4.506 4.664 -0.158 1
1 248 . 13 1 1 A 27 27 ILE CA C 27 60.905 60.124 0.781 1
1 249 . 13 1 1 A 27 27 ILE CB C 27 43.249 39.881 3.368 1
1 253 . 13 1 1 A 27 27 ILE N N 27 119.676 120.444 -0.768 1
1 254 . 13 1 1 A 28 28 ARG H H 28 9.290 9.190 0.100 1
1 255 . 13 1 1 A 28 28 ARG HA H 28 5.561 4.854 0.707 1
1 262 . 13 1 1 A 28 28 ARG CA C 28 54.650 55.568 -0.918 1
1 263 . 13 1 1 A 28 28 ARG CB C 28 34.180 31.461 2.719 1
1 266 . 13 1 1 A 28 28 ARG N N 28 127.516 128.629 -1.113 1
1 267 . 13 1 1 A 29 29 LEU H H 29 9.502 9.158 0.344 1
1 268 . 13 1 1 A 29 29 LEU HA H 29 5.306 5.019 0.287 1
1 278 . 13 1 1 A 29 29 LEU CA C 29 54.010 53.188 0.822 1
1 279 . 13 1 1 A 29 29 LEU CB C 29 44.020 44.272 -0.252 1
1 283 . 13 1 1 A 29 29 LEU N N 29 126.696 128.598 -1.902 1
1 284 . 13 1 1 A 30 30 LYS H H 30 8.641 8.684 -0.043 1
1 285 . 13 1 1 A 30 30 LYS HA H 30 5.108 4.813 0.295 1
1 294 . 13 1 1 A 30 30 LYS CA C 30 54.660 55.691 -1.031 1
1 295 . 13 1 1 A 30 30 LYS CB C 30 38.070 36.346 1.724 1
1 299 . 13 1 1 A 30 30 LYS N N 30 118.761 121.303 -2.542 1
1 300 . 13 1 1 A 31 31 ASN H H 31 8.397 8.749 -0.352 1
1 301 . 13 1 1 A 31 31 ASN HA H 31 5.319 5.028 0.291 1
1 306 . 13 1 1 A 31 31 ASN CA C 31 50.690 52.277 -1.587 1
1 307 . 13 1 1 A 31 31 ASN CB C 31 37.490 38.650 -1.160 1
1 308 . 13 1 1 A 31 31 ASN N N 31 123.996 124.540 -0.544 1
1 310 . 13 1 1 A 32 32 THR H H 32 8.455 8.837 -0.382 1
1 311 . 13 1 1 A 32 32 THR HA H 32 4.302 4.533 -0.231 1
1 316 . 13 1 1 A 32 32 THR CA C 32 61.492 61.371 0.121 1
1 317 . 13 1 1 A 32 32 THR CB C 32 68.110 69.005 -0.895 1
1 319 . 13 1 1 A 32 32 THR N N 32 115.755 122.125 -6.370 1
1 320 . 13 1 1 A 33 33 SER H H 33 8.487 7.596 0.891 1
1 321 . 13 1 1 A 33 33 SER HA H 33 4.793 4.491 0.302 1
1 324 . 13 1 1 A 33 33 SER CA C 33 57.500 57.391 0.109 1
1 325 . 13 1 1 A 33 33 SER CB C 33 66.510 64.846 1.664 1
1 326 . 13 1 1 A 33 33 SER N N 33 120.037 118.796 1.241 1
1 327 . 13 1 1 A 34 34 GLU H H 34 8.355 8.785 -0.430 1
1 328 . 13 1 1 A 34 34 GLU HA H 34 4.335 4.320 0.015 1
1 333 . 13 1 1 A 34 34 GLU CA C 34 55.840 58.289 -2.449 1
1 334 . 13 1 1 A 34 34 GLU CB C 34 28.930 31.003 -2.073 1
1 336 . 13 1 1 A 34 34 GLU N N 34 116.545 122.669 -6.124 1
1 337 . 13 1 1 A 35 35 GLN H H 35 8.634 7.693 0.941 1
1 338 . 13 1 1 A 35 35 GLN HA H 35 4.664 4.752 -0.088 1
1 345 . 13 1 1 A 35 35 GLN CA C 35 53.740 54.007 -0.267 1
1 346 . 13 1 1 A 35 35 GLN CB C 35 31.696 32.148 -0.452 1
1 348 . 13 1 1 A 35 35 GLN N N 35 120.013 118.602 1.411 1
1 350 . 13 1 1 A 36 36 ASP H H 36 8.859 8.618 0.241 1
1 351 . 13 1 1 A 36 36 ASP HA H 36 4.050 4.429 -0.379 1
1 354 . 13 1 1 A 36 36 ASP CA C 36 54.640 54.510 0.130 1
1 355 . 13 1 1 A 36 36 ASP CB C 36 40.120 40.306 -0.186 1
1 356 . 13 1 1 A 36 36 ASP N N 36 124.552 121.646 2.906 1
1 357 . 13 1 1 A 37 37 GLN H H 37 8.141 8.833 -0.692 1
1 358 . 13 1 1 A 37 37 GLN HA H 37 4.786 4.737 0.049 1
1 365 . 13 1 1 A 37 37 GLN CA C 37 50.858 53.118 -2.260 1
1 366 . 13 1 1 A 37 37 GLN CB C 37 31.860 28.615 3.245 1
1 368 . 13 1 1 A 37 37 GLN N N 37 120.015 123.397 -3.382 1
1 370 . 13 1 1 A 38 38 PRO HA H 38 4.367 4.543 -0.176 1
1 377 . 13 1 1 A 38 38 PRO CA C 38 63.330 62.951 0.379 1
1 378 . 13 1 1 A 38 38 PRO CB C 38 31.750 31.705 0.045 1
1 381 . 13 1 1 A 39 39 MET H H 39 8.392 8.791 -0.399 1
1 382 . 13 1 1 A 39 39 MET HA H 39 2.792 4.142 -1.350 1
1 390 . 13 1 1 A 39 39 MET CA C 39 53.780 57.820 -4.040 1
1 391 . 13 1 1 A 39 39 MET CB C 39 34.410 32.569 1.841 1
1 394 . 13 1 1 A 39 39 MET N N 39 124.427 124.383 0.044 1
1 395 . 13 1 1 A 40 40 GLY H H 40 7.940 8.055 -0.115 1
1 396 . 13 1 1 A 40 40 GLY HA2 H 40 4.154 3.867 0.287 1
1 397 . 13 1 1 A 40 40 GLY HA3 H 40 3.763 3.902 -0.139 1
1 398 . 13 1 1 A 40 40 GLY CA C 40 48.114 47.110 1.004 1
1 399 . 13 1 1 A 40 40 GLY N N 40 108.664 105.988 2.676 1
1 400 . 13 1 1 A 41 41 GLY H H 41 7.959 8.435 -0.476 1
1 401 . 13 1 1 A 41 41 GLY HA2 H 41 4.323 4.107 0.216 1
1 402 . 13 1 1 A 41 41 GLY HA3 H 41 3.769 4.114 -0.345 1
1 403 . 13 1 1 A 41 41 GLY CA C 41 46.020 45.475 0.545 1
1 404 . 13 1 1 A 41 41 GLY N N 41 114.027 109.239 4.788 1
1 405 . 13 1 1 A 42 42 TRP H H 42 8.667 8.066 0.601 1
1 406 . 13 1 1 A 42 42 TRP HA H 42 4.408 5.242 -0.834 1
1 415 . 13 1 1 A 42 42 TRP CA C 42 58.925 55.951 2.974 1
1 416 . 13 1 1 A 42 42 TRP CB C 42 28.120 33.545 -5.425 1
1 422 . 13 1 1 A 42 42 TRP N N 42 122.097 120.028 2.069 1
1 424 . 13 1 1 A 43 43 GLU H H 43 8.740 9.099 -0.359 1
1 425 . 13 1 1 A 43 43 GLU HA H 43 5.462 5.277 0.185 1
1 430 . 13 1 1 A 43 43 GLU CA C 43 54.410 55.432 -1.022 1
1 431 . 13 1 1 A 43 43 GLU CB C 43 33.980 33.561 0.419 1
1 433 . 13 1 1 A 43 43 GLU N N 43 120.300 121.576 -1.276 1
1 434 . 13 1 1 A 44 44 MET H H 44 9.658 9.445 0.213 1
1 435 . 13 1 1 A 44 44 MET HA H 44 5.488 5.207 0.281 1
1 443 . 13 1 1 A 44 44 MET CA C 44 53.360 54.036 -0.676 1
1 444 . 13 1 1 A 44 44 MET CB C 44 37.490 35.085 2.405 1
1 447 . 13 1 1 A 44 44 MET N N 44 126.477 126.305 0.172 1
1 448 . 13 1 1 A 45 45 ILE H H 45 9.658 9.423 0.235 1
1 449 . 13 1 1 A 45 45 ILE HA H 45 4.781 5.068 -0.287 1
1 459 . 13 1 1 A 45 45 ILE CA C 45 60.413 60.571 -0.158 1
1 460 . 13 1 1 A 45 45 ILE CB C 45 40.804 39.583 1.221 1
1 464 . 13 1 1 A 45 45 ILE N N 45 127.329 127.187 0.142 1
1 465 . 13 1 1 A 46 46 ARG H H 46 9.217 9.057 0.160 1
1 466 . 13 1 1 A 46 46 ARG HA H 46 5.083 4.855 0.228 1
1 474 . 13 1 1 A 46 46 ARG CA C 46 53.760 55.301 -1.541 1
1 475 . 13 1 1 A 46 46 ARG CB C 46 33.559 31.486 2.073 1
1 478 . 13 1 1 A 46 46 ARG N N 46 126.837 128.819 -1.982 1
1 480 . 13 1 1 A 47 47 LYS H H 47 9.876 8.309 1.567 1
1 481 . 13 1 1 A 47 47 LYS HA H 47 5.257 5.059 0.198 1
1 490 . 13 1 1 A 47 47 LYS CA C 47 55.260 54.587 0.673 1
1 491 . 13 1 1 A 47 47 LYS CB C 47 34.860 36.070 -1.210 1
1 495 . 13 1 1 A 47 47 LYS N N 47 132.271 125.341 6.930 1
1 496 . 13 1 1 A 48 48 ILE H H 48 7.909 8.555 -0.646 1
1 497 . 13 1 1 A 48 48 ILE HA H 48 4.360 4.277 0.083 1
1 507 . 13 1 1 A 48 48 ILE CA C 48 61.132 62.092 -0.960 1
1 508 . 13 1 1 A 48 48 ILE CB C 48 40.316 41.055 -0.739 1
1 512 . 13 1 1 A 48 48 ILE N N 48 125.793 123.402 2.391 1
1 513 . 13 1 1 A 49 49 GLY H H 49 9.576 7.978 1.598 1
1 514 . 13 1 1 A 49 49 GLY HA2 H 49 4.021 4.051 -0.030 1
1 515 . 13 1 1 A 49 49 GLY HA3 H 49 3.730 4.054 -0.324 1
1 516 . 13 1 1 A 49 49 GLY CA C 49 46.910 45.019 1.891 1
1 517 . 13 1 1 A 49 49 GLY N N 49 120.665 109.458 11.207 1
1 518 . 13 1 1 A 50 50 ASP H H 50 8.935 8.602 0.333 1
1 519 . 13 1 1 A 50 50 ASP HA H 50 4.777 4.722 0.055 1
1 522 . 13 1 1 A 50 50 ASP CA C 50 54.000 53.568 0.432 1
1 523 . 13 1 1 A 50 50 ASP CB C 50 40.520 38.761 1.759 1
1 524 . 13 1 1 A 50 50 ASP N N 50 126.343 122.136 4.207 1
1 525 . 13 1 1 A 51 51 THR H H 51 8.253 8.443 -0.190 1
1 526 . 13 1 1 A 51 51 THR HA H 51 4.638 4.770 -0.132 1
1 531 . 13 1 1 A 51 51 THR CA C 51 61.690 60.893 0.797 1
1 532 . 13 1 1 A 51 51 THR CB C 51 71.080 69.886 1.194 1
1 534 . 13 1 1 A 51 51 THR N N 51 115.167 117.761 -2.594 1
1 535 . 13 1 1 A 52 52 SER H H 52 8.710 8.618 0.092 1
1 536 . 13 1 1 A 52 52 SER HA H 52 5.318 5.457 -0.139 1
1 539 . 13 1 1 A 52 52 SER CA C 52 57.290 57.953 -0.663 1
1 540 . 13 1 1 A 52 52 SER CB C 52 64.730 65.379 -0.649 1
1 541 . 13 1 1 A 52 52 SER N N 52 121.442 118.493 2.949 1
1 542 . 13 1 1 A 53 53 VAL H H 53 8.448 8.939 -0.491 1
1 543 . 13 1 1 A 53 53 VAL HA H 53 4.650 4.999 -0.349 1
1 551 . 13 1 1 A 53 53 VAL CA C 53 60.449 60.027 0.422 1
1 552 . 13 1 1 A 53 53 VAL CB C 53 35.105 34.295 0.810 1
1 555 . 13 1 1 A 53 53 VAL N N 53 121.387 127.596 -6.209 1
1 556 . 13 1 1 A 54 54 SER H H 54 8.761 8.767 -0.006 1
1 557 . 13 1 1 A 54 54 SER HA H 54 5.760 5.834 -0.074 1
1 560 . 13 1 1 A 54 54 SER CA C 54 57.180 57.006 0.174 1
1 561 . 13 1 1 A 54 54 SER CB C 54 65.910 66.314 -0.404 1
1 562 . 13 1 1 A 54 54 SER N N 54 118.025 125.141 -7.116 1
1 563 . 13 1 1 A 55 55 TYR H H 55 9.340 8.777 0.563 1
1 564 . 13 1 1 A 55 55 TYR HA H 55 4.175 5.034 -0.859 1
1 571 . 13 1 1 A 55 55 TYR CA C 55 57.100 58.017 -0.917 1
1 572 . 13 1 1 A 55 55 TYR CB C 55 39.870 40.855 -0.985 1
1 577 . 13 1 1 A 55 55 TYR N N 55 128.024 125.093 2.931 1
1 578 . 13 1 1 A 56 56 LYS H H 56 7.551 8.453 -0.902 1
1 579 . 13 1 1 A 56 56 LYS HA H 56 4.890 4.372 0.518 1
1 588 . 13 1 1 A 56 56 LYS CA C 56 54.117 55.970 -1.853 1
1 589 . 13 1 1 A 56 56 LYS CB C 56 33.610 33.278 0.332 1
1 593 . 13 1 1 A 56 56 LYS N N 56 127.706 129.416 -1.710 1
1 594 . 13 1 1 A 57 57 TYR H H 57 8.247 8.942 -0.695 1
1 595 . 13 1 1 A 57 57 TYR HA H 57 3.996 4.582 -0.586 1
1 602 . 13 1 1 A 57 57 TYR CA C 57 59.032 58.238 0.794 1
1 603 . 13 1 1 A 57 57 TYR CB C 57 39.390 39.065 0.325 1
1 608 . 13 1 1 A 57 57 TYR N N 57 124.225 127.334 -3.109 1
1 609 . 13 1 1 A 58 58 THR H H 58 8.722 8.531 0.191 1
1 610 . 13 1 1 A 58 58 THR HA H 58 4.259 4.513 -0.254 1
1 615 . 13 1 1 A 58 58 THR CA C 58 62.250 62.184 0.066 1
1 616 . 13 1 1 A 58 58 THR CB C 58 69.280 69.648 -0.368 1
1 618 . 13 1 1 A 58 58 THR N N 58 116.096 119.342 -3.246 1
1 619 . 13 1 1 A 59 59 SER H H 59 8.402 8.543 -0.141 1
1 620 . 13 1 1 A 59 59 SER HA H 59 4.050 4.595 -0.545 1
1 623 . 13 1 1 A 59 59 SER CA C 59 61.680 57.126 4.554 1
1 624 . 13 1 1 A 59 59 SER CB C 59 63.210 63.504 -0.294 1
1 625 . 13 1 1 A 59 59 SER N N 59 114.556 121.400 -6.844 1
1 626 . 13 1 1 A 60 60 ARG H H 60 8.176 7.776 0.400 1
1 627 . 13 1 1 A 60 60 ARG HA H 60 4.489 4.197 0.292 1
1 634 . 13 1 1 A 60 60 ARG CA C 60 54.960 58.556 -3.596 1
1 635 . 13 1 1 A 60 60 ARG CB C 60 29.846 30.368 -0.522 1
1 638 . 13 1 1 A 60 60 ARG N N 60 118.244 120.568 -2.324 1
1 639 . 13 1 1 A 61 61 TYR H H 61 7.617 7.604 0.013 1
1 640 . 13 1 1 A 61 61 TYR HA H 61 3.897 5.285 -1.388 1
1 647 . 13 1 1 A 61 61 TYR CA C 61 61.930 56.088 5.842 1
1 648 . 13 1 1 A 61 61 TYR CB C 61 38.670 41.512 -2.842 1
1 653 . 13 1 1 A 61 61 TYR N N 61 122.301 115.584 6.717 1
1 654 . 13 1 1 A 62 62 VAL H H 62 7.363 8.909 -1.546 1
1 655 . 13 1 1 A 62 62 VAL HA H 62 3.893 4.310 -0.417 1
1 663 . 13 1 1 A 62 62 VAL CA C 62 60.590 61.884 -1.294 1
1 664 . 13 1 1 A 62 62 VAL CB C 62 35.270 32.831 2.439 1
1 667 . 13 1 1 A 62 62 VAL N N 62 129.952 121.192 8.760 1
1 668 . 13 1 1 A 63 63 LEU H H 63 7.852 8.761 -0.909 1
1 669 . 13 1 1 A 63 63 LEU HA H 63 4.558 4.845 -0.287 1
1 679 . 13 1 1 A 63 63 LEU CA C 63 51.980 54.290 -2.310 1
1 680 . 13 1 1 A 63 63 LEU CB C 63 42.600 42.604 -0.004 1
1 684 . 13 1 1 A 63 63 LEU N N 63 128.635 129.094 -0.459 1
1 685 . 13 1 1 A 64 64 LYS H H 64 8.770 8.486 0.284 1
1 686 . 13 1 1 A 64 64 LYS HA H 64 3.722 4.347 -0.625 1
1 695 . 13 1 1 A 64 64 LYS CA C 64 57.360 56.254 1.106 1
1 696 . 13 1 1 A 64 64 LYS CB C 64 32.381 33.417 -1.036 1
1 700 . 13 1 1 A 64 64 LYS N N 64 130.633 127.204 3.429 1
1 701 . 13 1 1 A 65 65 ALA H H 65 8.628 8.462 0.166 1
1 702 . 13 1 1 A 65 65 ALA HA H 65 3.557 3.960 -0.403 1
1 706 . 13 1 1 A 65 65 ALA CA C 65 53.700 53.886 -0.186 1
1 707 . 13 1 1 A 65 65 ALA CB C 65 18.660 18.493 0.167 1
1 708 . 13 1 1 A 65 65 ALA N N 65 123.214 124.924 -1.710 1
1 709 . 13 1 1 A 66 66 GLY H H 66 7.505 8.842 -1.337 1
1 710 . 13 1 1 A 66 66 GLY HA2 H 66 4.020 3.834 0.186 1
1 711 . 13 1 1 A 66 66 GLY HA3 H 66 4.020 3.839 0.181 1
1 712 . 13 1 1 A 66 66 GLY CA C 66 46.864 45.702 1.162 1
1 713 . 13 1 1 A 66 66 GLY N N 66 112.913 110.468 2.445 1
1 714 . 13 1 1 A 67 67 GLN H H 67 8.136 7.627 0.509 1
1 715 . 13 1 1 A 67 67 GLN HA H 67 4.436 4.377 0.059 1
1 722 . 13 1 1 A 67 67 GLN CA C 67 55.029 55.692 -0.663 1
1 723 . 13 1 1 A 67 67 GLN CB C 67 29.700 29.061 0.639 1
1 725 . 13 1 1 A 67 67 GLN N N 67 118.759 121.357 -2.598 1
1 727 . 13 1 1 A 68 68 THR H H 68 8.066 8.572 -0.506 1
1 728 . 13 1 1 A 68 68 THR HA H 68 5.414 4.948 0.466 1
1 733 . 13 1 1 A 68 68 THR CA C 68 60.050 61.343 -1.293 1
1 734 . 13 1 1 A 68 68 THR CB C 68 72.052 68.878 3.174 1
1 736 . 13 1 1 A 68 68 THR N N 68 111.842 117.925 -6.083 1
1 737 . 13 1 1 A 69 69 VAL H H 69 8.780 8.814 -0.034 1
1 738 . 13 1 1 A 69 69 VAL HA H 69 4.989 4.507 0.482 1
1 746 . 13 1 1 A 69 69 VAL CA C 69 59.265 62.364 -3.099 1
1 747 . 13 1 1 A 69 69 VAL CB C 69 33.600 32.498 1.102 1
1 750 . 13 1 1 A 69 69 VAL N N 69 120.958 127.820 -6.862 1
1 751 . 13 1 1 A 70 70 THR H H 70 8.660 9.301 -0.641 1
1 752 . 13 1 1 A 70 70 THR HA H 70 4.618 4.753 -0.135 1
1 757 . 13 1 1 A 70 70 THR CA C 70 61.730 61.871 -0.141 1
1 758 . 13 1 1 A 70 70 THR CB C 70 69.550 69.133 0.417 1
1 760 . 13 1 1 A 70 70 THR N N 70 125.533 125.340 0.193 1
1 761 . 13 1 1 A 71 71 ILE H H 71 8.994 9.086 -0.092 1
1 762 . 13 1 1 A 71 71 ILE HA H 71 4.369 4.877 -0.508 1
1 772 . 13 1 1 A 71 71 ILE CA C 71 59.162 61.668 -2.506 1
1 773 . 13 1 1 A 71 71 ILE CB C 71 36.826 36.985 -0.159 1
1 777 . 13 1 1 A 71 71 ILE N N 71 127.838 127.779 0.059 1
1 778 . 13 1 1 A 72 72 TRP H H 72 9.270 8.768 0.502 1
1 779 . 13 1 1 A 72 72 TRP HA H 72 5.167 5.023 0.144 1
1 788 . 13 1 1 A 72 72 TRP CA C 72 56.180 57.392 -1.212 1
1 789 . 13 1 1 A 72 72 TRP CB C 72 31.490 30.184 1.306 1
1 795 . 13 1 1 A 72 72 TRP N N 72 127.112 129.694 -2.582 1
1 797 . 13 1 1 A 73 73 ALA H H 73 9.010 8.891 0.119 1
1 798 . 13 1 1 A 73 73 ALA HA H 73 4.617 4.497 0.120 1
1 802 . 13 1 1 A 73 73 ALA CA C 73 52.110 52.547 -0.437 1
1 803 . 13 1 1 A 73 73 ALA CB C 73 19.070 19.640 -0.570 1
1 804 . 13 1 1 A 73 73 ALA N N 73 122.140 127.409 -5.269 1
1 805 . 13 1 1 A 74 74 ALA H H 74 9.002 8.044 0.958 1
1 806 . 13 1 1 A 74 74 ALA HA H 74 4.042 3.945 0.097 1
1 810 . 13 1 1 A 74 74 ALA CA C 74 54.650 55.017 -0.367 1
1 811 . 13 1 1 A 74 74 ALA CB C 74 18.070 18.176 -0.106 1
1 812 . 13 1 1 A 74 74 ALA N N 74 123.213 122.469 0.744 1
1 813 . 13 1 1 A 75 75 ASN H H 75 8.162 7.905 0.257 1
1 814 . 13 1 1 A 75 75 ASN HA H 75 5.015 5.055 -0.040 1
1 819 . 13 1 1 A 75 75 ASN CA C 75 51.650 52.906 -1.256 1
1 820 . 13 1 1 A 75 75 ASN CB C 75 36.590 39.088 -2.498 1
1 821 . 13 1 1 A 75 75 ASN N N 75 112.259 114.719 -2.460 1
1 823 . 13 1 1 A 76 76 ALA H H 76 7.605 7.534 0.071 1
1 824 . 13 1 1 A 76 76 ALA HA H 76 4.281 4.297 -0.016 1
1 828 . 13 1 1 A 76 76 ALA CA C 76 53.203 53.002 0.201 1
1 829 . 13 1 1 A 76 76 ALA CB C 76 20.210 19.474 0.736 1
1 830 . 13 1 1 A 76 76 ALA N N 76 120.777 123.197 -2.420 1
1 831 . 13 1 1 A 77 77 GLY H H 77 8.449 8.592 -0.143 1
1 832 . 13 1 1 A 77 77 GLY HA2 H 77 3.960 3.860 0.100 1
1 833 . 13 1 1 A 77 77 GLY HA3 H 77 3.537 3.874 -0.337 1
1 834 . 13 1 1 A 77 77 GLY CA C 77 45.410 45.709 -0.299 1
1 835 . 13 1 1 A 77 77 GLY N N 77 107.064 107.941 -0.877 1
1 836 . 13 1 1 A 78 78 VAL H H 78 7.286 7.644 -0.358 1
1 837 . 13 1 1 A 78 78 VAL HA H 78 3.804 4.623 -0.819 1
1 845 . 13 1 1 A 78 78 VAL CA C 78 60.736 59.502 1.234 1
1 846 . 13 1 1 A 78 78 VAL CB C 78 33.590 34.486 -0.896 1
1 849 . 13 1 1 A 78 78 VAL N N 78 120.566 117.130 3.436 1
1 850 . 13 1 1 A 79 79 THR H H 79 8.148 8.467 -0.319 1
1 851 . 13 1 1 A 79 79 THR HA H 79 4.145 4.331 -0.186 1
1 856 . 13 1 1 A 79 79 THR CA C 79 61.395 62.920 -1.525 1
1 857 . 13 1 1 A 79 79 THR CB C 79 69.620 69.214 0.406 1
1 859 . 13 1 1 A 79 79 THR N N 79 121.617 117.289 4.328 1
1 860 . 13 1 1 A 80 80 ALA H H 80 8.593 8.463 0.130 1
1 861 . 13 1 1 A 80 80 ALA HA H 80 3.703 4.334 -0.631 1
1 865 . 13 1 1 A 80 80 ALA CA C 80 53.410 51.393 2.017 1
1 866 . 13 1 1 A 80 80 ALA CB C 80 19.180 17.527 1.653 1
1 867 . 13 1 1 A 80 80 ALA N N 80 126.311 129.077 -2.766 1
1 868 . 13 1 1 A 81 81 SER H H 81 9.101 8.575 0.526 1
1 869 . 13 1 1 A 81 81 SER HA H 81 4.747 4.131 0.616 1
1 872 . 13 1 1 A 81 81 SER CA C 81 55.046 59.164 -4.118 1
1 873 . 13 1 1 A 81 81 SER CB C 81 62.680 61.521 1.159 1
1 874 . 13 1 1 A 81 81 SER N N 81 114.816 117.549 -2.733 1
1 875 . 13 1 1 A 82 82 PRO HA H 82 4.328 4.304 0.024 1
1 882 . 13 1 1 A 82 82 PRO CA C 82 62.158 64.677 -2.519 1
1 883 . 13 1 1 A 82 82 PRO CB C 82 30.480 31.948 -1.468 1
1 886 . 13 1 1 A 83 83 PRO HA H 83 4.821 4.667 0.154 1
1 893 . 13 1 1 A 83 83 PRO CA C 83 64.384 62.291 2.093 1
1 894 . 13 1 1 A 83 83 PRO CB C 83 34.750 32.951 1.799 1
1 897 . 13 1 1 A 84 84 THR H H 84 8.007 8.565 -0.558 1
1 898 . 13 1 1 A 84 84 THR HA H 84 4.567 4.324 0.243 1
1 903 . 13 1 1 A 84 84 THR CA C 84 64.770 62.796 1.974 1
1 904 . 13 1 1 A 84 84 THR CB C 84 69.370 71.332 -1.962 1
1 906 . 13 1 1 A 84 84 THR N N 84 114.629 114.605 0.024 1
1 907 . 13 1 1 A 85 85 ASP H H 85 7.952 7.882 0.070 1
1 908 . 13 1 1 A 85 85 ASP HA H 85 5.950 5.498 0.452 1
1 911 . 13 1 1 A 85 85 ASP CA C 85 54.110 52.901 1.209 1
1 912 . 13 1 1 A 85 85 ASP CB C 85 43.510 45.855 -2.345 1
1 913 . 13 1 1 A 85 85 ASP N N 85 124.539 119.485 5.054 1
1 914 . 13 1 1 A 86 86 LEU H H 86 9.271 8.882 0.389 1
1 915 . 13 1 1 A 86 86 LEU HA H 86 4.953 5.272 -0.319 1
1 925 . 13 1 1 A 86 86 LEU CA C 86 52.230 53.560 -1.330 1
1 926 . 13 1 1 A 86 86 LEU CB C 86 44.070 45.204 -1.134 1
1 930 . 13 1 1 A 86 86 LEU N N 86 124.265 120.357 3.908 1
1 931 . 13 1 1 A 87 87 ILE H H 87 8.691 9.100 -0.409 1
1 932 . 13 1 1 A 87 87 ILE HA H 87 4.802 5.097 -0.295 1
1 942 . 13 1 1 A 87 87 ILE CA C 87 58.694 60.460 -1.766 1
1 943 . 13 1 1 A 87 87 ILE CB C 87 37.945 38.538 -0.593 1
1 947 . 13 1 1 A 87 87 ILE N N 87 119.475 124.404 -4.929 1
1 948 . 13 1 1 A 88 88 TRP H H 88 9.755 9.325 0.430 1
1 949 . 13 1 1 A 88 88 TRP HA H 88 4.918 4.151 0.767 1
1 958 . 13 1 1 A 88 88 TRP CA C 88 54.900 55.523 -0.623 1
1 959 . 13 1 1 A 88 88 TRP CB C 88 27.270 28.614 -1.344 1
1 965 . 13 1 1 A 88 88 TRP N N 88 132.610 129.928 2.682 1
1 967 . 13 1 1 A 89 89 LYS H H 89 8.282 8.272 0.010 1
1 968 . 13 1 1 A 89 89 LYS HA H 89 3.996 4.208 -0.212 1
1 977 . 13 1 1 A 89 89 LYS CA C 89 58.847 57.628 1.219 1
1 978 . 13 1 1 A 89 89 LYS CB C 89 32.360 32.231 0.129 1
1 982 . 13 1 1 A 89 89 LYS N N 89 125.513 126.703 -1.190 1
1 983 . 13 1 1 A 90 90 ASN H H 90 8.810 7.872 0.938 1
1 984 . 13 1 1 A 90 90 ASN HA H 90 4.434 4.600 -0.166 1
1 989 . 13 1 1 A 90 90 ASN CA C 90 54.010 54.348 -0.338 1
1 990 . 13 1 1 A 90 90 ASN CB C 90 37.770 39.345 -1.575 1
1 991 . 13 1 1 A 90 90 ASN N N 90 114.946 115.158 -0.212 1
1 993 . 13 1 1 A 91 91 GLN H H 91 7.546 6.698 0.848 1
1 994 . 13 1 1 A 91 91 GLN HA H 91 4.412 4.477 -0.065 1
1 1001 . 13 1 1 A 91 91 GLN CA C 91 53.520 54.766 -1.246 1
1 1002 . 13 1 1 A 91 91 GLN CB C 91 28.470 31.700 -3.230 1
1 1004 . 13 1 1 A 91 91 GLN N N 91 117.746 117.770 -0.024 1
1 1006 . 13 1 1 A 92 92 ASN H H 92 8.451 8.556 -0.105 1
1 1007 . 13 1 1 A 92 92 ASN HA H 92 4.876 4.748 0.128 1
1 1012 . 13 1 1 A 92 92 ASN CA C 92 52.080 53.266 -1.186 1
1 1013 . 13 1 1 A 92 92 ASN CB C 92 39.400 39.581 -0.181 1
1 1014 . 13 1 1 A 92 92 ASN N N 92 123.697 123.686 0.011 1
1 1016 . 13 1 1 A 93 93 SER H H 93 9.337 8.508 0.829 1
1 1017 . 13 1 1 A 93 93 SER HA H 93 3.977 4.503 -0.526 1
1 1020 . 13 1 1 A 93 93 SER CA C 93 58.940 58.179 0.761 1
1 1021 . 13 1 1 A 93 93 SER CB C 93 62.940 62.984 -0.044 1
1 1022 . 13 1 1 A 93 93 SER N N 93 117.010 113.550 3.460 1
1 1023 . 13 1 1 A 94 94 TRP H H 94 7.857 8.636 -0.779 1
1 1024 . 13 1 1 A 94 94 TRP HA H 94 4.905 4.336 0.569 1
1 1033 . 13 1 1 A 94 94 TRP CA C 94 56.770 59.787 -3.017 1
1 1034 . 13 1 1 A 94 94 TRP CB C 94 27.900 29.902 -2.002 1
1 1039 . 13 1 1 A 94 94 TRP N N 94 120.449 123.604 -3.155 1
1 1041 . 13 1 1 A 95 95 GLY H H 95 7.795 7.607 0.188 1
1 1042 . 13 1 1 A 95 95 GLY HA2 H 95 3.953 3.690 0.263 1
1 1043 . 13 1 1 A 95 95 GLY HA3 H 95 3.763 3.791 -0.028 1
1 1044 . 13 1 1 A 95 95 GLY CA C 95 45.487 46.955 -1.468 1
1 1045 . 13 1 1 A 95 95 GLY N N 95 109.481 110.418 -0.937 1
1 1046 . 13 1 1 A 96 96 THR H H 96 8.028 8.239 -0.211 1
1 1047 . 13 1 1 A 96 96 THR HA H 96 4.696 4.677 0.019 1
1 1052 . 13 1 1 A 96 96 THR CA C 96 60.880 61.475 -0.595 1
1 1053 . 13 1 1 A 96 96 THR CB C 96 70.040 69.983 0.057 1
1 1055 . 13 1 1 A 96 96 THR N N 96 112.538 114.517 -1.979 1
1 1056 . 13 1 1 A 97 97 GLY H H 97 8.443 8.075 0.368 1
1 1057 . 13 1 1 A 97 97 GLY HA2 H 97 3.482 3.980 -0.498 1
1 1058 . 13 1 1 A 97 97 GLY HA3 H 97 3.862 4.026 -0.164 1
1 1059 . 13 1 1 A 97 97 GLY CA C 97 45.945 47.101 -1.156 1
1 1060 . 13 1 1 A 97 97 GLY N N 97 111.464 110.455 1.009 1
1 1061 . 13 1 1 A 98 98 GLU H H 98 8.010 8.749 -0.739 1
1 1062 . 13 1 1 A 98 98 GLU HA H 98 4.471 4.353 0.118 1
1 1067 . 13 1 1 A 98 98 GLU CA C 98 54.730 58.498 -3.768 1
1 1068 . 13 1 1 A 98 98 GLU CB C 98 30.719 28.557 2.162 1
1 1070 . 13 1 1 A 98 98 GLU N N 98 118.563 121.223 -2.660 1
1 1071 . 13 1 1 A 99 99 ASP H H 99 8.680 8.638 0.042 1
1 1072 . 13 1 1 A 99 99 ASP HA H 99 4.612 5.513 -0.901 1
1 1075 . 13 1 1 A 99 99 ASP CA C 99 54.451 53.139 1.312 1
1 1076 . 13 1 1 A 99 99 ASP CB C 99 39.540 40.640 -1.100 1
1 1077 . 13 1 1 A 99 99 ASP N N 99 122.219 120.428 1.791 1
1 1078 . 13 1 1 A 100 100 VAL H H 100 8.215 8.429 -0.214 1
1 1079 . 13 1 1 A 100 100 VAL HA H 100 4.495 4.609 -0.114 1
1 1087 . 13 1 1 A 100 100 VAL CA C 100 60.920 60.260 0.660 1
1 1088 . 13 1 1 A 100 100 VAL CB C 100 34.150 33.541 0.609 1
1 1091 . 13 1 1 A 100 100 VAL N N 100 123.901 125.777 -1.876 1
1 1092 . 13 1 1 A 101 101 LYS H H 101 8.600 8.690 -0.090 1
1 1093 . 13 1 1 A 101 101 LYS HA H 101 5.112 5.182 -0.070 1
1 1102 . 13 1 1 A 101 101 LYS CA C 101 54.718 54.719 -0.001 1
1 1103 . 13 1 1 A 101 101 LYS CB C 101 35.326 35.225 0.101 1
1 1107 . 13 1 1 A 101 101 LYS N N 101 126.635 129.571 -2.936 1
1 1108 . 13 1 1 A 102 102 VAL H H 102 9.209 9.274 -0.065 1
1 1109 . 13 1 1 A 102 102 VAL HA H 102 5.405 4.655 0.750 1
1 1117 . 13 1 1 A 102 102 VAL CA C 102 59.950 61.539 -1.589 1
1 1118 . 13 1 1 A 102 102 VAL CB C 102 34.420 33.455 0.965 1
1 1121 . 13 1 1 A 102 102 VAL N N 102 125.573 126.916 -1.343 1
1 1122 . 13 1 1 A 103 103 ILE H H 103 8.968 9.506 -0.538 1
1 1123 . 13 1 1 A 103 103 ILE HA H 103 4.671 4.844 -0.173 1
1 1133 . 13 1 1 A 103 103 ILE CA C 103 59.790 59.850 -0.060 1
1 1134 . 13 1 1 A 103 103 ILE CB C 103 42.522 38.562 3.960 1
1 1138 . 13 1 1 A 103 103 ILE N N 103 125.593 128.029 -2.436 1
1 1139 . 13 1 1 A 104 104 LEU H H 104 9.017 9.212 -0.195 1
1 1140 . 13 1 1 A 104 104 LEU HA H 104 5.361 5.164 0.197 1
1 1150 . 13 1 1 A 104 104 LEU CA C 104 52.800 53.763 -0.963 1
1 1151 . 13 1 1 A 104 104 LEU CB C 104 46.200 43.053 3.147 1
1 1155 . 13 1 1 A 104 104 LEU N N 104 127.791 128.233 -0.442 1
1 1156 . 13 1 1 A 105 105 LYS H H 105 9.674 8.882 0.792 1
1 1157 . 13 1 1 A 105 105 LYS HA H 105 5.194 4.943 0.251 1
1 1166 . 13 1 1 A 105 105 LYS CA C 105 53.780 54.219 -0.439 1
1 1167 . 13 1 1 A 105 105 LYS CB C 105 36.330 36.082 0.248 1
1 1171 . 13 1 1 A 105 105 LYS N N 105 126.536 123.300 3.236 1
1 1172 . 13 1 1 A 106 106 ASN H H 106 7.774 8.548 -0.774 1
1 1173 . 13 1 1 A 106 106 ASN HA H 106 2.714 4.565 -1.851 1
1 1178 . 13 1 1 A 106 106 ASN CA C 106 49.530 52.149 -2.619 1
1 1179 . 13 1 1 A 106 106 ASN CB C 106 36.940 39.096 -2.156 1
1 1180 . 13 1 1 A 106 106 ASN N N 106 116.550 120.136 -3.586 1
1 1182 . 13 1 1 A 107 107 SER H H 107 6.988 8.801 -1.813 1
1 1183 . 13 1 1 A 107 107 SER HA H 107 4.092 4.061 0.031 1
1 1186 . 13 1 1 A 107 107 SER CA C 107 60.490 61.520 -1.030 1
1 1187 . 13 1 1 A 107 107 SER CB C 107 62.510 62.409 0.101 1
1 1188 . 13 1 1 A 107 107 SER N N 107 112.400 117.806 -5.406 1
1 1189 . 13 1 1 A 108 108 GLN H H 108 7.414 7.734 -0.320 1
1 1190 . 13 1 1 A 108 108 GLN HA H 108 4.404 4.332 0.072 1
1 1197 . 13 1 1 A 108 108 GLN CA C 108 55.470 55.842 -0.372 1
1 1198 . 13 1 1 A 108 108 GLN CB C 108 28.400 29.004 -0.604 1
1 1200 . 13 1 1 A 108 108 GLN N N 108 119.000 118.184 0.816 1
1 1202 . 13 1 1 A 109 109 GLY H H 109 7.835 7.582 0.253 1
1 1203 . 13 1 1 A 109 109 GLY HA2 H 109 4.136 3.990 0.146 1
1 1204 . 13 1 1 A 109 109 GLY HA3 H 109 3.530 3.991 -0.461 1
1 1205 . 13 1 1 A 109 109 GLY CA C 109 45.549 45.364 0.185 1
1 1206 . 13 1 1 A 109 109 GLY N N 109 107.333 106.397 0.936 1
1 1207 . 13 1 1 A 110 110 GLU H H 110 7.562 7.963 -0.401 1
1 1208 . 13 1 1 A 110 110 GLU HA H 110 4.209 4.358 -0.149 1
1 1213 . 13 1 1 A 110 110 GLU CA C 110 54.320 55.840 -1.520 1
1 1214 . 13 1 1 A 110 110 GLU CB C 110 29.760 30.637 -0.877 1
1 1216 . 13 1 1 A 110 110 GLU N N 110 120.137 119.847 0.290 1
1 1217 . 13 1 1 A 111 111 GLU H H 111 8.799 8.461 0.338 1
1 1218 . 13 1 1 A 111 111 GLU HA H 111 4.194 4.713 -0.519 1
1 1223 . 13 1 1 A 111 111 GLU CA C 111 57.160 56.063 1.097 1
1 1224 . 13 1 1 A 111 111 GLU CB C 111 29.175 31.515 -2.340 1
1 1226 . 13 1 1 A 111 111 GLU N N 111 123.867 122.808 1.059 1
1 1227 . 13 1 1 A 112 112 VAL H H 112 9.093 9.403 -0.310 1
1 1228 . 13 1 1 A 112 112 VAL HA H 112 4.330 4.026 0.304 1
1 1236 . 13 1 1 A 112 112 VAL CA C 112 61.529 63.943 -2.414 1
1 1237 . 13 1 1 A 112 112 VAL CB C 112 33.230 32.397 0.833 1
1 1240 . 13 1 1 A 112 112 VAL N N 112 122.642 126.349 -3.707 1
1 1241 . 13 1 1 A 113 113 ALA H H 113 7.793 6.980 0.813 1
1 1242 . 13 1 1 A 113 113 ALA HA H 113 4.770 4.622 0.148 1
1 1246 . 13 1 1 A 113 113 ALA CA C 113 52.449 51.609 0.840 1
1 1247 . 13 1 1 A 113 113 ALA CB C 113 22.400 22.453 -0.053 1
1 1248 . 13 1 1 A 113 113 ALA N N 113 121.070 117.896 3.174 1
1 1249 . 13 1 1 A 114 114 GLN H H 114 8.450 8.807 -0.357 1
1 1250 . 13 1 1 A 114 114 GLN HA H 114 5.404 5.471 -0.067 1
1 1257 . 13 1 1 A 114 114 GLN CA C 114 54.830 53.698 1.132 1
1 1258 . 13 1 1 A 114 114 GLN CB C 114 32.307 32.885 -0.578 1
1 1260 . 13 1 1 A 114 114 GLN N N 114 115.851 117.230 -1.379 1
1 1262 . 13 1 1 A 115 115 ARG H H 115 8.989 8.510 0.479 1
1 1263 . 13 1 1 A 115 115 ARG HA H 115 4.555 4.819 -0.264 1
1 1270 . 13 1 1 A 115 115 ARG CA C 115 56.350 55.497 0.853 1
1 1271 . 13 1 1 A 115 115 ARG CB C 115 33.730 34.308 -0.578 1
1 1274 . 13 1 1 A 115 115 ARG N N 115 122.920 121.166 1.754 1
1 1275 . 13 1 1 A 116 116 SER H H 116 8.511 8.768 -0.257 1
1 1276 . 13 1 1 A 116 116 SER HA H 116 5.756 5.372 0.384 1
1 1279 . 13 1 1 A 116 116 SER CA C 116 56.400 55.860 0.540 1
1 1280 . 13 1 1 A 116 116 SER CB C 116 65.770 65.650 0.120 1
1 1281 . 13 1 1 A 116 116 SER N N 116 119.807 119.386 0.421 1
1 1282 . 13 1 1 A 117 117 THR H H 117 8.801 8.081 0.720 1
1 1283 . 13 1 1 A 117 117 THR HA H 117 4.378 4.397 -0.019 1
1 1288 . 13 1 1 A 117 117 THR CA C 117 62.160 61.578 0.582 1
1 1289 . 13 1 1 A 117 117 THR CB C 117 70.010 71.159 -1.149 1
1 1291 . 13 1 1 A 117 117 THR N N 117 116.435 112.538 3.897 1
1 1292 . 13 1 1 A 118 118 VAL H H 118 8.165 8.333 -0.168 1
1 1293 . 13 1 1 A 118 118 VAL HA H 118 4.227 3.857 0.370 1
1 1301 . 13 1 1 A 118 118 VAL CA C 118 61.320 62.825 -1.505 1
1 1302 . 13 1 1 A 118 118 VAL CB C 118 32.931 31.625 1.306 1
1 1305 . 13 1 1 A 118 118 VAL N N 118 122.111 121.007 1.104 1
1 1306 . 13 1 1 A 119 119 PHE H H 119 8.580 8.423 0.157 1
1 1307 . 13 1 1 A 119 119 PHE HA H 119 4.655 4.623 0.032 1
1 1314 . 13 1 1 A 119 119 PHE CA C 119 57.520 58.523 -1.003 1
1 1315 . 13 1 1 A 119 119 PHE CB C 119 39.550 38.618 0.932 1
1 1320 . 13 1 1 A 119 119 PHE N N 119 126.006 127.714 -1.708 1
1 1321 . 13 1 1 A 120 120 LYS H H 120 8.346 8.808 -0.462 1
1 1322 . 13 1 1 A 120 120 LYS HA H 120 4.432 4.993 -0.561 1
1 1331 . 13 1 1 A 120 120 LYS CA C 120 55.740 55.147 0.593 1
1 1332 . 13 1 1 A 120 120 LYS CB C 120 33.290 35.211 -1.921 1
1 1336 . 13 1 1 A 120 120 LYS N N 120 124.095 126.029 -1.934 1
1 1337 . 13 1 1 A 121 121 THR H H 121 8.294 9.278 -0.984 1
1 1338 . 13 1 1 A 121 121 THR HA H 121 4.394 4.762 -0.368 1
1 1343 . 13 1 1 A 121 121 THR CA C 121 61.610 62.136 -0.526 1
1 1344 . 13 1 1 A 121 121 THR CB C 121 69.640 69.229 0.411 1
1 1346 . 13 1 1 A 121 121 THR N N 121 116.359 122.126 -5.767 1
1 1 . 14 1 1 A 3 3 HIS H H 3 8.528 8.001 0.527 1
1 2 . 14 1 1 A 3 3 HIS HA H 3 4.626 4.097 0.529 1
1 5 . 14 1 1 A 3 3 HIS CA C 3 55.260 58.807 -3.547 1
1 6 . 14 1 1 A 3 3 HIS CB C 3 29.250 30.361 -1.111 1
1 7 . 14 1 1 A 3 3 HIS N N 3 118.990 120.241 -1.251 1
1 8 . 14 1 1 A 4 4 HIS H H 4 8.528 7.797 0.731 1
1 9 . 14 1 1 A 4 4 HIS HA H 4 4.624 4.458 0.166 1
1 12 . 14 1 1 A 4 4 HIS CA C 4 55.277 56.028 -0.751 1
1 13 . 14 1 1 A 4 4 HIS CB C 4 29.002 30.262 -1.260 1
1 14 . 14 1 1 A 4 4 HIS N N 4 118.990 114.256 4.734 1
1 15 . 14 1 1 A 5 5 HIS H H 5 8.579 8.727 -0.148 1
1 16 . 14 1 1 A 5 5 HIS HA H 5 4.737 4.549 0.188 1
1 19 . 14 1 1 A 5 5 HIS CA C 5 55.330 56.007 -0.677 1
1 20 . 14 1 1 A 5 5 HIS CB C 5 29.257 31.070 -1.813 1
1 21 . 14 1 1 A 5 5 HIS N N 5 119.720 122.435 -2.715 1
1 22 . 14 1 1 A 6 6 HIS H H 6 8.603 8.576 0.027 1
1 23 . 14 1 1 A 6 6 HIS HA H 6 4.674 3.977 0.697 1
1 26 . 14 1 1 A 6 6 HIS CA C 6 55.150 56.224 -1.074 1
1 27 . 14 1 1 A 6 6 HIS CB C 6 27.340 28.015 -0.675 1
1 28 . 14 1 1 A 6 6 HIS N N 6 121.420 115.774 5.646 1
1 29 . 14 1 1 A 7 7 HIS H H 7 8.706 8.327 0.379 1
1 30 . 14 1 1 A 7 7 HIS HA H 7 4.658 4.877 -0.219 1
1 33 . 14 1 1 A 7 7 HIS CA C 7 55.100 55.270 -0.170 1
1 34 . 14 1 1 A 7 7 HIS CB C 7 29.300 30.908 -1.608 1
1 35 . 14 1 1 A 7 7 HIS N N 7 121.200 118.745 2.455 1
1 36 . 14 1 1 A 8 8 HIS H H 8 8.706 8.909 -0.203 1
1 37 . 14 1 1 A 8 8 HIS HA H 8 4.706 4.761 -0.055 1
1 40 . 14 1 1 A 8 8 HIS CA C 8 55.156 54.047 1.109 1
1 41 . 14 1 1 A 8 8 HIS CB C 8 29.396 32.849 -3.453 1
1 42 . 14 1 1 A 8 8 HIS N N 8 121.200 124.798 -3.598 1
1 43 . 14 1 1 A 9 9 SER H H 9 8.551 8.714 -0.163 1
1 44 . 14 1 1 A 9 9 SER HA H 9 4.450 4.706 -0.256 1
1 47 . 14 1 1 A 9 9 SER CA C 9 58.200 57.935 0.265 1
1 48 . 14 1 1 A 9 9 SER CB C 9 63.740 62.217 1.523 1
1 49 . 14 1 1 A 9 9 SER N N 9 118.046 120.309 -2.263 1
1 50 . 14 1 1 A 10 10 HIS H H 10 8.770 8.671 0.099 1
1 51 . 14 1 1 A 10 10 HIS HA H 10 4.726 5.135 -0.409 1
1 54 . 14 1 1 A 10 10 HIS CA C 10 55.640 54.788 0.852 1
1 55 . 14 1 1 A 10 10 HIS CB C 10 29.172 32.268 -3.096 1
1 56 . 14 1 1 A 10 10 HIS N N 10 120.412 122.972 -2.560 1
1 57 . 14 1 1 A 11 11 MET H H 11 8.528 8.819 -0.291 1
1 58 . 14 1 1 A 11 11 MET HA H 11 4.658 5.003 -0.345 1
1 66 . 14 1 1 A 11 11 MET CA C 11 55.438 54.266 1.172 1
1 67 . 14 1 1 A 11 11 MET CB C 11 33.090 33.311 -0.221 1
1 70 . 14 1 1 A 11 11 MET N N 11 122.400 124.423 -2.023 1
1 71 . 14 1 1 A 12 12 THR H H 12 8.339 8.699 -0.360 1
1 72 . 14 1 1 A 12 12 THR HA H 12 4.450 5.234 -0.784 1
1 77 . 14 1 1 A 12 12 THR CA C 12 61.810 60.734 1.076 1
1 78 . 14 1 1 A 12 12 THR CB C 12 70.450 70.405 0.045 1
1 80 . 14 1 1 A 12 12 THR N N 12 115.700 116.079 -0.379 1
1 81 . 14 1 1 A 13 13 GLY H H 13 8.426 8.870 -0.444 1
1 82 . 14 1 1 A 13 13 GLY HA2 H 13 4.287 3.742 0.545 1
1 83 . 14 1 1 A 13 13 GLY HA3 H 13 3.877 3.755 0.122 1
1 84 . 14 1 1 A 13 13 GLY CA C 13 45.243 47.313 -2.070 1
1 85 . 14 1 1 A 13 13 GLY N N 13 110.872 112.590 -1.718 1
1 86 . 14 1 1 A 14 14 ASN H H 14 8.374 8.164 0.210 1
1 87 . 14 1 1 A 14 14 ASN HA H 14 4.720 4.810 -0.090 1
1 92 . 14 1 1 A 14 14 ASN CA C 14 54.200 53.147 1.053 1
1 93 . 14 1 1 A 14 14 ASN CB C 14 39.210 39.004 0.206 1
1 94 . 14 1 1 A 14 14 ASN N N 14 117.789 119.246 -1.457 1
1 96 . 14 1 1 A 15 15 VAL H H 15 7.890 7.552 0.338 1
1 97 . 14 1 1 A 15 15 VAL HA H 15 4.843 4.478 0.365 1
1 105 . 14 1 1 A 15 15 VAL CA C 15 61.759 61.923 -0.164 1
1 106 . 14 1 1 A 15 15 VAL CB C 15 33.230 32.100 1.130 1
1 109 . 14 1 1 A 15 15 VAL N N 15 118.720 120.476 -1.756 1
1 110 . 14 1 1 A 16 16 CYS H H 16 9.060 9.002 0.058 1
1 111 . 14 1 1 A 16 16 CYS HA H 16 4.899 5.340 -0.441 1
1 114 . 14 1 1 A 16 16 CYS CA C 16 54.620 56.786 -2.166 1
1 115 . 14 1 1 A 16 16 CYS CB C 16 30.900 30.425 0.475 1
1 116 . 14 1 1 A 16 16 CYS N N 16 122.674 126.735 -4.061 1
1 117 . 14 1 1 A 17 17 ILE H H 17 8.845 8.873 -0.028 1
1 118 . 14 1 1 A 17 17 ILE HA H 17 4.153 4.087 0.066 1
1 128 . 14 1 1 A 17 17 ILE CA C 17 61.080 61.644 -0.564 1
1 129 . 14 1 1 A 17 17 ILE CB C 17 36.397 37.041 -0.644 1
1 133 . 14 1 1 A 17 17 ILE N N 17 122.609 123.886 -1.277 1
1 134 . 14 1 1 A 18 18 GLU H H 18 8.917 9.122 -0.205 1
1 135 . 14 1 1 A 18 18 GLU HA H 18 4.230 4.288 -0.058 1
1 140 . 14 1 1 A 18 18 GLU CA C 18 57.160 58.140 -0.980 1
1 141 . 14 1 1 A 18 18 GLU CB C 18 30.550 31.263 -0.713 1
1 143 . 14 1 1 A 18 18 GLU N N 18 130.894 130.221 0.673 1
1 144 . 14 1 1 A 19 19 GLU H H 19 7.853 7.812 0.041 1
1 145 . 14 1 1 A 19 19 GLU HA H 19 4.470 4.846 -0.376 1
1 150 . 14 1 1 A 19 19 GLU CA C 19 56.110 56.013 0.097 1
1 151 . 14 1 1 A 19 19 GLU CB C 19 33.847 33.418 0.429 1
1 153 . 14 1 1 A 19 19 GLU N N 19 115.069 117.824 -2.755 1
1 154 . 14 1 1 A 20 20 ILE H H 20 8.744 8.918 -0.174 1
1 155 . 14 1 1 A 20 20 ILE HA H 20 4.080 4.774 -0.694 1
1 165 . 14 1 1 A 20 20 ILE CA C 20 60.619 60.127 0.492 1
1 166 . 14 1 1 A 20 20 ILE CB C 20 39.170 41.277 -2.107 1
1 170 . 14 1 1 A 20 20 ILE N N 20 127.309 125.385 1.924 1
1 171 . 14 1 1 A 21 21 ASP H H 21 7.468 8.400 -0.932 1
1 172 . 14 1 1 A 21 21 ASP HA H 21 3.949 4.509 -0.560 1
1 175 . 14 1 1 A 21 21 ASP CA C 21 54.970 54.415 0.555 1
1 176 . 14 1 1 A 21 21 ASP CB C 21 42.170 41.644 0.526 1
1 177 . 14 1 1 A 21 21 ASP N N 21 124.858 127.606 -2.748 1
1 178 . 14 1 1 A 22 22 VAL H H 22 8.650 8.716 -0.066 1
1 179 . 14 1 1 A 22 22 VAL HA H 22 3.998 4.209 -0.211 1
1 187 . 14 1 1 A 22 22 VAL CA C 22 64.445 63.797 0.648 1
1 188 . 14 1 1 A 22 22 VAL CB C 22 31.244 32.484 -1.240 1
1 191 . 14 1 1 A 22 22 VAL N N 22 130.172 125.924 4.248 1
1 192 . 14 1 1 A 23 23 ASP H H 23 7.482 7.781 -0.299 1
1 193 . 14 1 1 A 23 23 ASP HA H 23 4.711 4.499 0.212 1
1 196 . 14 1 1 A 23 23 ASP CA C 23 53.920 54.624 -0.704 1
1 197 . 14 1 1 A 23 23 ASP CB C 23 40.100 41.316 -1.216 1
1 198 . 14 1 1 A 23 23 ASP N N 23 118.547 120.453 -1.906 1
1 199 . 14 1 1 A 24 24 GLY H H 24 7.220 7.496 -0.276 1
1 200 . 14 1 1 A 24 24 GLY HA2 H 24 2.950 1.913 1.037 1
1 201 . 14 1 1 A 24 24 GLY HA3 H 24 2.407 3.103 -0.696 1
1 202 . 14 1 1 A 24 24 GLY CA C 24 45.040 45.008 0.032 1
1 203 . 14 1 1 A 24 24 GLY N N 24 105.293 106.165 -0.872 1
1 204 . 14 1 1 A 25 25 LYS H H 25 8.757 7.745 1.012 1
1 205 . 14 1 1 A 25 25 LYS HA H 25 3.964 4.229 -0.265 1
1 214 . 14 1 1 A 25 25 LYS CA C 25 56.590 56.218 0.372 1
1 215 . 14 1 1 A 25 25 LYS CB C 25 33.660 35.114 -1.454 1
1 219 . 14 1 1 A 25 25 LYS N N 25 111.753 116.872 -5.119 1
1 220 . 14 1 1 A 26 26 PHE H H 26 6.380 7.681 -1.301 1
1 221 . 14 1 1 A 26 26 PHE HA H 26 5.753 5.441 0.312 1
1 229 . 14 1 1 A 26 26 PHE CA C 26 56.370 56.509 -0.139 1
1 230 . 14 1 1 A 26 26 PHE CB C 26 40.030 40.559 -0.529 1
1 236 . 14 1 1 A 26 26 PHE N N 26 110.097 115.255 -5.158 1
1 237 . 14 1 1 A 27 27 ILE H H 27 8.601 8.750 -0.149 1
1 238 . 14 1 1 A 27 27 ILE HA H 27 4.506 4.843 -0.337 1
1 248 . 14 1 1 A 27 27 ILE CA C 27 60.905 60.824 0.081 1
1 249 . 14 1 1 A 27 27 ILE CB C 27 43.249 40.739 2.510 1
1 253 . 14 1 1 A 27 27 ILE N N 27 119.676 120.771 -1.095 1
1 254 . 14 1 1 A 28 28 ARG H H 28 9.290 9.311 -0.021 1
1 255 . 14 1 1 A 28 28 ARG HA H 28 5.561 4.929 0.632 1
1 262 . 14 1 1 A 28 28 ARG CA C 28 54.650 55.362 -0.712 1
1 263 . 14 1 1 A 28 28 ARG CB C 28 34.180 31.857 2.323 1
1 266 . 14 1 1 A 28 28 ARG N N 28 127.516 128.991 -1.475 1
1 267 . 14 1 1 A 29 29 LEU H H 29 9.502 9.196 0.306 1
1 268 . 14 1 1 A 29 29 LEU HA H 29 5.306 5.046 0.260 1
1 278 . 14 1 1 A 29 29 LEU CA C 29 54.010 53.298 0.712 1
1 279 . 14 1 1 A 29 29 LEU CB C 29 44.020 44.182 -0.162 1
1 283 . 14 1 1 A 29 29 LEU N N 29 126.696 128.544 -1.848 1
1 284 . 14 1 1 A 30 30 LYS H H 30 8.641 8.811 -0.170 1
1 285 . 14 1 1 A 30 30 LYS HA H 30 5.108 4.906 0.202 1
1 294 . 14 1 1 A 30 30 LYS CA C 30 54.660 55.162 -0.502 1
1 295 . 14 1 1 A 30 30 LYS CB C 30 38.070 36.328 1.742 1
1 299 . 14 1 1 A 30 30 LYS N N 30 118.761 121.283 -2.522 1
1 300 . 14 1 1 A 31 31 ASN H H 31 8.397 8.858 -0.461 1
1 301 . 14 1 1 A 31 31 ASN HA H 31 5.319 5.031 0.288 1
1 306 . 14 1 1 A 31 31 ASN CA C 31 50.690 52.245 -1.555 1
1 307 . 14 1 1 A 31 31 ASN CB C 31 37.490 40.365 -2.875 1
1 308 . 14 1 1 A 31 31 ASN N N 31 123.996 124.127 -0.131 1
1 310 . 14 1 1 A 32 32 THR H H 32 8.455 8.796 -0.341 1
1 311 . 14 1 1 A 32 32 THR HA H 32 4.302 4.539 -0.237 1
1 316 . 14 1 1 A 32 32 THR CA C 32 61.492 61.222 0.270 1
1 317 . 14 1 1 A 32 32 THR CB C 32 68.110 69.273 -1.163 1
1 319 . 14 1 1 A 32 32 THR N N 32 115.755 121.296 -5.541 1
1 320 . 14 1 1 A 33 33 SER H H 33 8.487 7.513 0.974 1
1 321 . 14 1 1 A 33 33 SER HA H 33 4.793 4.338 0.455 1
1 324 . 14 1 1 A 33 33 SER CA C 33 57.500 59.465 -1.965 1
1 325 . 14 1 1 A 33 33 SER CB C 33 66.510 63.891 2.619 1
1 326 . 14 1 1 A 33 33 SER N N 33 120.037 117.778 2.259 1
1 327 . 14 1 1 A 34 34 GLU H H 34 8.355 8.715 -0.360 1
1 328 . 14 1 1 A 34 34 GLU HA H 34 4.335 4.201 0.134 1
1 333 . 14 1 1 A 34 34 GLU CA C 34 55.840 58.350 -2.510 1
1 334 . 14 1 1 A 34 34 GLU CB C 34 28.930 30.511 -1.581 1
1 336 . 14 1 1 A 34 34 GLU N N 34 116.545 124.555 -8.010 1
1 337 . 14 1 1 A 35 35 GLN H H 35 8.634 7.579 1.055 1
1 338 . 14 1 1 A 35 35 GLN HA H 35 4.664 4.753 -0.089 1
1 345 . 14 1 1 A 35 35 GLN CA C 35 53.740 53.848 -0.108 1
1 346 . 14 1 1 A 35 35 GLN CB C 35 31.696 31.926 -0.230 1
1 348 . 14 1 1 A 35 35 GLN N N 35 120.013 119.981 0.032 1
1 350 . 14 1 1 A 36 36 ASP H H 36 8.859 8.564 0.295 1
1 351 . 14 1 1 A 36 36 ASP HA H 36 4.050 4.515 -0.465 1
1 354 . 14 1 1 A 36 36 ASP CA C 36 54.640 54.681 -0.041 1
1 355 . 14 1 1 A 36 36 ASP CB C 36 40.120 40.984 -0.864 1
1 356 . 14 1 1 A 36 36 ASP N N 36 124.552 121.961 2.591 1
1 357 . 14 1 1 A 37 37 GLN H H 37 8.141 8.796 -0.655 1
1 358 . 14 1 1 A 37 37 GLN HA H 37 4.786 4.760 0.026 1
1 365 . 14 1 1 A 37 37 GLN CA C 37 50.858 51.938 -1.080 1
1 366 . 14 1 1 A 37 37 GLN CB C 37 31.860 29.914 1.946 1
1 368 . 14 1 1 A 37 37 GLN N N 37 120.015 122.650 -2.635 1
1 370 . 14 1 1 A 38 38 PRO HA H 38 4.367 4.453 -0.086 1
1 377 . 14 1 1 A 38 38 PRO CA C 38 63.330 62.581 0.749 1
1 378 . 14 1 1 A 38 38 PRO CB C 38 31.750 31.578 0.172 1
1 381 . 14 1 1 A 39 39 MET H H 39 8.392 8.081 0.311 1
1 382 . 14 1 1 A 39 39 MET HA H 39 2.792 3.680 -0.888 1
1 390 . 14 1 1 A 39 39 MET CA C 39 53.780 57.230 -3.450 1
1 391 . 14 1 1 A 39 39 MET CB C 39 34.410 33.030 1.380 1
1 394 . 14 1 1 A 39 39 MET N N 39 124.427 123.881 0.546 1
1 395 . 14 1 1 A 40 40 GLY H H 40 7.940 8.230 -0.290 1
1 396 . 14 1 1 A 40 40 GLY HA2 H 40 4.154 3.457 0.697 1
1 397 . 14 1 1 A 40 40 GLY HA3 H 40 3.763 3.613 0.150 1
1 398 . 14 1 1 A 40 40 GLY CA C 40 48.114 46.964 1.150 1
1 399 . 14 1 1 A 40 40 GLY N N 40 108.664 107.396 1.268 1
1 400 . 14 1 1 A 41 41 GLY H H 41 7.959 7.151 0.808 1
1 401 . 14 1 1 A 41 41 GLY HA2 H 41 4.323 4.004 0.319 1
1 402 . 14 1 1 A 41 41 GLY HA3 H 41 3.769 4.032 -0.263 1
1 403 . 14 1 1 A 41 41 GLY CA C 41 46.020 45.295 0.725 1
1 404 . 14 1 1 A 41 41 GLY N N 41 114.027 106.435 7.592 1
1 405 . 14 1 1 A 42 42 TRP H H 42 8.667 7.478 1.189 1
1 406 . 14 1 1 A 42 42 TRP HA H 42 4.408 4.686 -0.278 1
1 415 . 14 1 1 A 42 42 TRP CA C 42 58.925 57.524 1.401 1
1 416 . 14 1 1 A 42 42 TRP CB C 42 28.120 30.184 -2.064 1
1 422 . 14 1 1 A 42 42 TRP N N 42 122.097 120.395 1.702 1
1 424 . 14 1 1 A 43 43 GLU H H 43 8.740 8.856 -0.116 1
1 425 . 14 1 1 A 43 43 GLU HA H 43 5.462 4.805 0.657 1
1 430 . 14 1 1 A 43 43 GLU CA C 43 54.410 54.930 -0.520 1
1 431 . 14 1 1 A 43 43 GLU CB C 43 33.980 31.246 2.734 1
1 433 . 14 1 1 A 43 43 GLU N N 43 120.300 122.402 -2.102 1
1 434 . 14 1 1 A 44 44 MET H H 44 9.658 9.283 0.375 1
1 435 . 14 1 1 A 44 44 MET HA H 44 5.488 5.180 0.308 1
1 443 . 14 1 1 A 44 44 MET CA C 44 53.360 54.319 -0.959 1
1 444 . 14 1 1 A 44 44 MET CB C 44 37.490 34.545 2.945 1
1 447 . 14 1 1 A 44 44 MET N N 44 126.477 127.360 -0.883 1
1 448 . 14 1 1 A 45 45 ILE H H 45 9.658 9.346 0.312 1
1 449 . 14 1 1 A 45 45 ILE HA H 45 4.781 4.739 0.042 1
1 459 . 14 1 1 A 45 45 ILE CA C 45 60.413 60.547 -0.134 1
1 460 . 14 1 1 A 45 45 ILE CB C 45 40.804 39.859 0.945 1
1 464 . 14 1 1 A 45 45 ILE N N 45 127.329 127.306 0.023 1
1 465 . 14 1 1 A 46 46 ARG H H 46 9.217 9.242 -0.025 1
1 466 . 14 1 1 A 46 46 ARG HA H 46 5.083 4.800 0.283 1
1 474 . 14 1 1 A 46 46 ARG CA C 46 53.760 55.698 -1.938 1
1 475 . 14 1 1 A 46 46 ARG CB C 46 33.559 31.310 2.249 1
1 478 . 14 1 1 A 46 46 ARG N N 46 126.837 128.912 -2.075 1
1 480 . 14 1 1 A 47 47 LYS H H 47 9.876 9.187 0.689 1
1 481 . 14 1 1 A 47 47 LYS HA H 47 5.257 4.818 0.439 1
1 490 . 14 1 1 A 47 47 LYS CA C 47 55.260 55.621 -0.361 1
1 491 . 14 1 1 A 47 47 LYS CB C 47 34.860 34.139 0.721 1
1 495 . 14 1 1 A 47 47 LYS N N 47 132.271 127.202 5.069 1
1 496 . 14 1 1 A 48 48 ILE H H 48 7.909 8.658 -0.749 1
1 497 . 14 1 1 A 48 48 ILE HA H 48 4.360 4.438 -0.078 1
1 507 . 14 1 1 A 48 48 ILE CA C 48 61.132 59.542 1.590 1
1 508 . 14 1 1 A 48 48 ILE CB C 48 40.316 39.425 0.891 1
1 512 . 14 1 1 A 48 48 ILE N N 48 125.793 124.485 1.308 1
1 513 . 14 1 1 A 49 49 GLY H H 49 9.576 8.993 0.583 1
1 514 . 14 1 1 A 49 49 GLY HA2 H 49 4.021 3.831 0.190 1
1 515 . 14 1 1 A 49 49 GLY HA3 H 49 3.730 3.834 -0.104 1
1 516 . 14 1 1 A 49 49 GLY CA C 49 46.910 47.344 -0.434 1
1 517 . 14 1 1 A 49 49 GLY N N 49 120.665 118.952 1.713 1
1 518 . 14 1 1 A 50 50 ASP H H 50 8.935 8.713 0.222 1
1 519 . 14 1 1 A 50 50 ASP HA H 50 4.777 4.704 0.073 1
1 522 . 14 1 1 A 50 50 ASP CA C 50 54.000 54.601 -0.601 1
1 523 . 14 1 1 A 50 50 ASP CB C 50 40.520 42.327 -1.807 1
1 524 . 14 1 1 A 50 50 ASP N N 50 126.343 126.494 -0.151 1
1 525 . 14 1 1 A 51 51 THR H H 51 8.253 7.152 1.101 1
1 526 . 14 1 1 A 51 51 THR HA H 51 4.638 4.553 0.085 1
1 531 . 14 1 1 A 51 51 THR CA C 51 61.690 60.764 0.926 1
1 532 . 14 1 1 A 51 51 THR CB C 51 71.080 70.353 0.727 1
1 534 . 14 1 1 A 51 51 THR N N 51 115.167 114.502 0.665 1
1 535 . 14 1 1 A 52 52 SER H H 52 8.710 8.680 0.030 1
1 536 . 14 1 1 A 52 52 SER HA H 52 5.318 5.483 -0.165 1
1 539 . 14 1 1 A 52 52 SER CA C 52 57.290 57.340 -0.050 1
1 540 . 14 1 1 A 52 52 SER CB C 52 64.730 66.263 -1.533 1
1 541 . 14 1 1 A 52 52 SER N N 52 121.442 118.048 3.394 1
1 542 . 14 1 1 A 53 53 VAL H H 53 8.448 8.902 -0.454 1
1 543 . 14 1 1 A 53 53 VAL HA H 53 4.650 5.029 -0.379 1
1 551 . 14 1 1 A 53 53 VAL CA C 53 60.449 59.825 0.624 1
1 552 . 14 1 1 A 53 53 VAL CB C 53 35.105 35.794 -0.689 1
1 555 . 14 1 1 A 53 53 VAL N N 53 121.387 120.708 0.679 1
1 556 . 14 1 1 A 54 54 SER H H 54 8.761 9.149 -0.388 1
1 557 . 14 1 1 A 54 54 SER HA H 54 5.760 5.872 -0.112 1
1 560 . 14 1 1 A 54 54 SER CA C 54 57.180 55.837 1.343 1
1 561 . 14 1 1 A 54 54 SER CB C 54 65.910 66.244 -0.334 1
1 562 . 14 1 1 A 54 54 SER N N 54 118.025 122.922 -4.897 1
1 563 . 14 1 1 A 55 55 TYR H H 55 9.340 8.889 0.451 1
1 564 . 14 1 1 A 55 55 TYR HA H 55 4.175 4.784 -0.609 1
1 571 . 14 1 1 A 55 55 TYR CA C 55 57.100 57.995 -0.895 1
1 572 . 14 1 1 A 55 55 TYR CB C 55 39.870 40.658 -0.788 1
1 577 . 14 1 1 A 55 55 TYR N N 55 128.024 122.306 5.718 1
1 578 . 14 1 1 A 56 56 LYS H H 56 7.551 8.196 -0.645 1
1 579 . 14 1 1 A 56 56 LYS HA H 56 4.890 4.575 0.315 1
1 588 . 14 1 1 A 56 56 LYS CA C 56 54.117 55.058 -0.941 1
1 589 . 14 1 1 A 56 56 LYS CB C 56 33.610 33.637 -0.027 1
1 593 . 14 1 1 A 56 56 LYS N N 56 127.706 129.373 -1.667 1
1 594 . 14 1 1 A 57 57 TYR H H 57 8.247 8.723 -0.476 1
1 595 . 14 1 1 A 57 57 TYR HA H 57 3.996 4.628 -0.632 1
1 602 . 14 1 1 A 57 57 TYR CA C 57 59.032 58.342 0.690 1
1 603 . 14 1 1 A 57 57 TYR CB C 57 39.390 39.010 0.380 1
1 608 . 14 1 1 A 57 57 TYR N N 57 124.225 126.442 -2.217 1
1 609 . 14 1 1 A 58 58 THR H H 58 8.722 8.571 0.151 1
1 610 . 14 1 1 A 58 58 THR HA H 58 4.259 4.914 -0.655 1
1 615 . 14 1 1 A 58 58 THR CA C 58 62.250 60.121 2.129 1
1 616 . 14 1 1 A 58 58 THR CB C 58 69.280 71.685 -2.405 1
1 618 . 14 1 1 A 58 58 THR N N 58 116.096 114.931 1.165 1
1 619 . 14 1 1 A 59 59 SER H H 59 8.402 8.619 -0.217 1
1 620 . 14 1 1 A 59 59 SER HA H 59 4.050 4.350 -0.300 1
1 623 . 14 1 1 A 59 59 SER CA C 59 61.680 56.849 4.831 1
1 624 . 14 1 1 A 59 59 SER CB C 59 63.210 62.168 1.042 1
1 625 . 14 1 1 A 59 59 SER N N 59 114.556 122.971 -8.415 1
1 626 . 14 1 1 A 60 60 ARG H H 60 8.176 8.152 0.024 1
1 627 . 14 1 1 A 60 60 ARG HA H 60 4.489 4.654 -0.165 1
1 634 . 14 1 1 A 60 60 ARG CA C 60 54.960 55.784 -0.824 1
1 635 . 14 1 1 A 60 60 ARG CB C 60 29.846 31.496 -1.650 1
1 638 . 14 1 1 A 60 60 ARG N N 60 118.244 124.509 -6.265 1
1 639 . 14 1 1 A 61 61 TYR H H 61 7.617 7.408 0.209 1
1 640 . 14 1 1 A 61 61 TYR HA H 61 3.897 5.204 -1.307 1
1 647 . 14 1 1 A 61 61 TYR CA C 61 61.930 56.566 5.364 1
1 648 . 14 1 1 A 61 61 TYR CB C 61 38.670 40.979 -2.309 1
1 653 . 14 1 1 A 61 61 TYR N N 61 122.301 116.340 5.961 1
1 654 . 14 1 1 A 62 62 VAL H H 62 7.363 8.748 -1.385 1
1 655 . 14 1 1 A 62 62 VAL HA H 62 3.893 4.443 -0.550 1
1 663 . 14 1 1 A 62 62 VAL CA C 62 60.590 61.293 -0.703 1
1 664 . 14 1 1 A 62 62 VAL CB C 62 35.270 33.190 2.080 1
1 667 . 14 1 1 A 62 62 VAL N N 62 129.952 121.146 8.806 1
1 668 . 14 1 1 A 63 63 LEU H H 63 7.852 9.052 -1.200 1
1 669 . 14 1 1 A 63 63 LEU HA H 63 4.558 5.020 -0.462 1
1 679 . 14 1 1 A 63 63 LEU CA C 63 51.980 53.800 -1.820 1
1 680 . 14 1 1 A 63 63 LEU CB C 63 42.600 43.793 -1.193 1
1 684 . 14 1 1 A 63 63 LEU N N 63 128.635 130.075 -1.440 1
1 685 . 14 1 1 A 64 64 LYS H H 64 8.770 8.512 0.258 1
1 686 . 14 1 1 A 64 64 LYS HA H 64 3.722 4.496 -0.774 1
1 695 . 14 1 1 A 64 64 LYS CA C 64 57.360 55.830 1.530 1
1 696 . 14 1 1 A 64 64 LYS CB C 64 32.381 33.625 -1.244 1
1 700 . 14 1 1 A 64 64 LYS N N 64 130.633 126.204 4.429 1
1 701 . 14 1 1 A 65 65 ALA H H 65 8.628 8.387 0.241 1
1 702 . 14 1 1 A 65 65 ALA HA H 65 3.557 4.220 -0.663 1
1 706 . 14 1 1 A 65 65 ALA CA C 65 53.700 53.288 0.412 1
1 707 . 14 1 1 A 65 65 ALA CB C 65 18.660 19.410 -0.750 1
1 708 . 14 1 1 A 65 65 ALA N N 65 123.214 123.131 0.083 1
1 709 . 14 1 1 A 66 66 GLY H H 66 7.505 8.774 -1.269 1
1 710 . 14 1 1 A 66 66 GLY HA2 H 66 4.020 3.844 0.176 1
1 711 . 14 1 1 A 66 66 GLY HA3 H 66 4.020 3.846 0.174 1
1 712 . 14 1 1 A 66 66 GLY CA C 66 46.864 45.791 1.073 1
1 713 . 14 1 1 A 66 66 GLY N N 66 112.913 110.485 2.428 1
1 714 . 14 1 1 A 67 67 GLN H H 67 8.136 7.687 0.449 1
1 715 . 14 1 1 A 67 67 GLN HA H 67 4.436 4.711 -0.275 1
1 722 . 14 1 1 A 67 67 GLN CA C 67 55.029 54.309 0.720 1
1 723 . 14 1 1 A 67 67 GLN CB C 67 29.700 31.072 -1.372 1
1 725 . 14 1 1 A 67 67 GLN N N 67 118.759 120.514 -1.755 1
1 727 . 14 1 1 A 68 68 THR H H 68 8.066 8.584 -0.518 1
1 728 . 14 1 1 A 68 68 THR HA H 68 5.414 5.313 0.101 1
1 733 . 14 1 1 A 68 68 THR CA C 68 60.050 60.091 -0.041 1
1 734 . 14 1 1 A 68 68 THR CB C 68 72.052 70.528 1.524 1
1 736 . 14 1 1 A 68 68 THR N N 68 111.842 115.581 -3.739 1
1 737 . 14 1 1 A 69 69 VAL H H 69 8.780 9.221 -0.441 1
1 738 . 14 1 1 A 69 69 VAL HA H 69 4.989 4.975 0.014 1
1 746 . 14 1 1 A 69 69 VAL CA C 69 59.265 59.936 -0.671 1
1 747 . 14 1 1 A 69 69 VAL CB C 69 33.600 34.236 -0.636 1
1 750 . 14 1 1 A 69 69 VAL N N 69 120.958 123.145 -2.187 1
1 751 . 14 1 1 A 70 70 THR H H 70 8.660 9.204 -0.544 1
1 752 . 14 1 1 A 70 70 THR HA H 70 4.618 4.933 -0.315 1
1 757 . 14 1 1 A 70 70 THR CA C 70 61.730 61.832 -0.102 1
1 758 . 14 1 1 A 70 70 THR CB C 70 69.550 69.680 -0.130 1
1 760 . 14 1 1 A 70 70 THR N N 70 125.533 124.318 1.215 1
1 761 . 14 1 1 A 71 71 ILE H H 71 8.994 9.370 -0.376 1
1 762 . 14 1 1 A 71 71 ILE HA H 71 4.369 5.274 -0.905 1
1 772 . 14 1 1 A 71 71 ILE CA C 71 59.162 60.312 -1.150 1
1 773 . 14 1 1 A 71 71 ILE CB C 71 36.826 38.143 -1.317 1
1 777 . 14 1 1 A 71 71 ILE N N 71 127.838 127.678 0.160 1
1 778 . 14 1 1 A 72 72 TRP H H 72 9.270 9.005 0.265 1
1 779 . 14 1 1 A 72 72 TRP HA H 72 5.167 5.171 -0.004 1
1 788 . 14 1 1 A 72 72 TRP CA C 72 56.180 57.363 -1.183 1
1 789 . 14 1 1 A 72 72 TRP CB C 72 31.490 30.632 0.858 1
1 795 . 14 1 1 A 72 72 TRP N N 72 127.112 129.309 -2.197 1
1 797 . 14 1 1 A 73 73 ALA H H 73 9.010 9.054 -0.044 1
1 798 . 14 1 1 A 73 73 ALA HA H 73 4.617 4.529 0.088 1
1 802 . 14 1 1 A 73 73 ALA CA C 73 52.110 52.556 -0.446 1
1 803 . 14 1 1 A 73 73 ALA CB C 73 19.070 19.291 -0.221 1
1 804 . 14 1 1 A 73 73 ALA N N 73 122.140 126.740 -4.600 1
1 805 . 14 1 1 A 74 74 ALA H H 74 9.002 8.171 0.831 1
1 806 . 14 1 1 A 74 74 ALA HA H 74 4.042 4.046 -0.004 1
1 810 . 14 1 1 A 74 74 ALA CA C 74 54.650 55.378 -0.728 1
1 811 . 14 1 1 A 74 74 ALA CB C 74 18.070 18.476 -0.406 1
1 812 . 14 1 1 A 74 74 ALA N N 74 123.213 123.191 0.022 1
1 813 . 14 1 1 A 75 75 ASN H H 75 8.162 7.754 0.408 1
1 814 . 14 1 1 A 75 75 ASN HA H 75 5.015 4.659 0.356 1
1 819 . 14 1 1 A 75 75 ASN CA C 75 51.650 53.992 -2.342 1
1 820 . 14 1 1 A 75 75 ASN CB C 75 36.590 38.384 -1.794 1
1 821 . 14 1 1 A 75 75 ASN N N 75 112.259 115.193 -2.934 1
1 823 . 14 1 1 A 76 76 ALA H H 76 7.605 7.816 -0.211 1
1 824 . 14 1 1 A 76 76 ALA HA H 76 4.281 4.280 0.001 1
1 828 . 14 1 1 A 76 76 ALA CA C 76 53.203 52.867 0.336 1
1 829 . 14 1 1 A 76 76 ALA CB C 76 20.210 19.646 0.564 1
1 830 . 14 1 1 A 76 76 ALA N N 76 120.777 121.048 -0.271 1
1 831 . 14 1 1 A 77 77 GLY H H 77 8.449 8.068 0.381 1
1 832 . 14 1 1 A 77 77 GLY HA2 H 77 3.960 3.937 0.023 1
1 833 . 14 1 1 A 77 77 GLY HA3 H 77 3.537 3.947 -0.410 1
1 834 . 14 1 1 A 77 77 GLY CA C 77 45.410 45.571 -0.161 1
1 835 . 14 1 1 A 77 77 GLY N N 77 107.064 107.609 -0.545 1
1 836 . 14 1 1 A 78 78 VAL H H 78 7.286 7.549 -0.263 1
1 837 . 14 1 1 A 78 78 VAL HA H 78 3.804 4.071 -0.267 1
1 845 . 14 1 1 A 78 78 VAL CA C 78 60.736 61.252 -0.516 1
1 846 . 14 1 1 A 78 78 VAL CB C 78 33.590 32.691 0.899 1
1 849 . 14 1 1 A 78 78 VAL N N 78 120.566 118.984 1.582 1
1 850 . 14 1 1 A 79 79 THR H H 79 8.148 8.378 -0.230 1
1 851 . 14 1 1 A 79 79 THR HA H 79 4.145 4.092 0.053 1
1 856 . 14 1 1 A 79 79 THR CA C 79 61.395 63.788 -2.393 1
1 857 . 14 1 1 A 79 79 THR CB C 79 69.620 68.764 0.856 1
1 859 . 14 1 1 A 79 79 THR N N 79 121.617 118.151 3.466 1
1 860 . 14 1 1 A 80 80 ALA H H 80 8.593 8.721 -0.128 1
1 861 . 14 1 1 A 80 80 ALA HA H 80 3.703 4.122 -0.419 1
1 865 . 14 1 1 A 80 80 ALA CA C 80 53.410 54.052 -0.642 1
1 866 . 14 1 1 A 80 80 ALA CB C 80 19.180 18.931 0.249 1
1 867 . 14 1 1 A 80 80 ALA N N 80 126.311 128.713 -2.402 1
1 868 . 14 1 1 A 81 81 SER H H 81 9.101 7.797 1.304 1
1 869 . 14 1 1 A 81 81 SER HA H 81 4.747 4.832 -0.085 1
1 872 . 14 1 1 A 81 81 SER CA C 81 55.046 55.953 -0.907 1
1 873 . 14 1 1 A 81 81 SER CB C 81 62.680 63.528 -0.848 1
1 874 . 14 1 1 A 81 81 SER N N 81 114.816 112.929 1.887 1
1 875 . 14 1 1 A 82 82 PRO HA H 82 4.328 4.330 -0.002 1
1 882 . 14 1 1 A 82 82 PRO CA C 82 62.158 64.817 -2.659 1
1 883 . 14 1 1 A 82 82 PRO CB C 82 30.480 31.652 -1.172 1
1 886 . 14 1 1 A 83 83 PRO HA H 83 4.821 4.705 0.116 1
1 893 . 14 1 1 A 83 83 PRO CA C 83 64.384 62.293 2.091 1
1 894 . 14 1 1 A 83 83 PRO CB C 83 34.750 32.145 2.605 1
1 897 . 14 1 1 A 84 84 THR H H 84 8.007 8.534 -0.527 1
1 898 . 14 1 1 A 84 84 THR HA H 84 4.567 4.226 0.341 1
1 903 . 14 1 1 A 84 84 THR CA C 84 64.770 62.583 2.187 1
1 904 . 14 1 1 A 84 84 THR CB C 84 69.370 71.247 -1.877 1
1 906 . 14 1 1 A 84 84 THR N N 84 114.629 115.488 -0.859 1
1 907 . 14 1 1 A 85 85 ASP H H 85 7.952 8.243 -0.291 1
1 908 . 14 1 1 A 85 85 ASP HA H 85 5.950 4.916 1.034 1
1 911 . 14 1 1 A 85 85 ASP CA C 85 54.110 53.470 0.640 1
1 912 . 14 1 1 A 85 85 ASP CB C 85 43.510 42.485 1.025 1
1 913 . 14 1 1 A 85 85 ASP N N 85 124.539 120.975 3.564 1
1 914 . 14 1 1 A 86 86 LEU H H 86 9.271 8.618 0.653 1
1 915 . 14 1 1 A 86 86 LEU HA H 86 4.953 5.169 -0.216 1
1 925 . 14 1 1 A 86 86 LEU CA C 86 52.230 53.476 -1.246 1
1 926 . 14 1 1 A 86 86 LEU CB C 86 44.070 45.557 -1.487 1
1 930 . 14 1 1 A 86 86 LEU N N 86 124.265 119.734 4.531 1
1 931 . 14 1 1 A 87 87 ILE H H 87 8.691 8.962 -0.271 1
1 932 . 14 1 1 A 87 87 ILE HA H 87 4.802 5.104 -0.302 1
1 942 . 14 1 1 A 87 87 ILE CA C 87 58.694 60.461 -1.767 1
1 943 . 14 1 1 A 87 87 ILE CB C 87 37.945 38.481 -0.536 1
1 947 . 14 1 1 A 87 87 ILE N N 87 119.475 124.279 -4.804 1
1 948 . 14 1 1 A 88 88 TRP H H 88 9.755 9.207 0.548 1
1 949 . 14 1 1 A 88 88 TRP HA H 88 4.918 4.102 0.816 1
1 958 . 14 1 1 A 88 88 TRP CA C 88 54.900 55.877 -0.977 1
1 959 . 14 1 1 A 88 88 TRP CB C 88 27.270 28.936 -1.666 1
1 965 . 14 1 1 A 88 88 TRP N N 88 132.610 129.823 2.787 1
1 967 . 14 1 1 A 89 89 LYS H H 89 8.282 8.464 -0.182 1
1 968 . 14 1 1 A 89 89 LYS HA H 89 3.996 4.273 -0.277 1
1 977 . 14 1 1 A 89 89 LYS CA C 89 58.847 58.811 0.036 1
1 978 . 14 1 1 A 89 89 LYS CB C 89 32.360 32.521 -0.161 1
1 982 . 14 1 1 A 89 89 LYS N N 89 125.513 127.178 -1.665 1
1 983 . 14 1 1 A 90 90 ASN H H 90 8.810 8.624 0.186 1
1 984 . 14 1 1 A 90 90 ASN HA H 90 4.434 4.690 -0.256 1
1 989 . 14 1 1 A 90 90 ASN CA C 90 54.010 55.917 -1.907 1
1 990 . 14 1 1 A 90 90 ASN CB C 90 37.770 38.854 -1.084 1
1 991 . 14 1 1 A 90 90 ASN N N 90 114.946 116.506 -1.560 1
1 993 . 14 1 1 A 91 91 GLN H H 91 7.546 7.575 -0.029 1
1 994 . 14 1 1 A 91 91 GLN HA H 91 4.412 4.580 -0.168 1
1 1001 . 14 1 1 A 91 91 GLN CA C 91 53.520 54.149 -0.629 1
1 1002 . 14 1 1 A 91 91 GLN CB C 91 28.470 30.702 -2.232 1
1 1004 . 14 1 1 A 91 91 GLN N N 91 117.746 118.619 -0.873 1
1 1006 . 14 1 1 A 92 92 ASN H H 92 8.451 8.669 -0.218 1
1 1007 . 14 1 1 A 92 92 ASN HA H 92 4.876 4.476 0.400 1
1 1012 . 14 1 1 A 92 92 ASN CA C 92 52.080 56.099 -4.019 1
1 1013 . 14 1 1 A 92 92 ASN CB C 92 39.400 39.835 -0.435 1
1 1014 . 14 1 1 A 92 92 ASN N N 92 123.697 124.080 -0.383 1
1 1016 . 14 1 1 A 93 93 SER H H 93 9.337 7.513 1.824 1
1 1017 . 14 1 1 A 93 93 SER HA H 93 3.977 4.587 -0.610 1
1 1020 . 14 1 1 A 93 93 SER CA C 93 58.940 56.920 2.020 1
1 1021 . 14 1 1 A 93 93 SER CB C 93 62.940 64.398 -1.458 1
1 1022 . 14 1 1 A 93 93 SER N N 93 117.010 108.678 8.332 1
1 1023 . 14 1 1 A 94 94 TRP H H 94 7.857 8.310 -0.453 1
1 1024 . 14 1 1 A 94 94 TRP HA H 94 4.905 5.366 -0.461 1
1 1033 . 14 1 1 A 94 94 TRP CA C 94 56.770 55.458 1.312 1
1 1034 . 14 1 1 A 94 94 TRP CB C 94 27.900 32.536 -4.636 1
1 1039 . 14 1 1 A 94 94 TRP N N 94 120.449 119.642 0.807 1
1 1041 . 14 1 1 A 95 95 GLY H H 95 7.795 8.720 -0.925 1
1 1042 . 14 1 1 A 95 95 GLY HA2 H 95 3.953 4.057 -0.104 1
1 1043 . 14 1 1 A 95 95 GLY HA3 H 95 3.763 4.147 -0.384 1
1 1044 . 14 1 1 A 95 95 GLY CA C 95 45.487 45.270 0.217 1
1 1045 . 14 1 1 A 95 95 GLY N N 95 109.481 107.411 2.070 1
1 1046 . 14 1 1 A 96 96 THR H H 96 8.028 8.092 -0.064 1
1 1047 . 14 1 1 A 96 96 THR HA H 96 4.696 4.353 0.343 1
1 1052 . 14 1 1 A 96 96 THR CA C 96 60.880 63.093 -2.213 1
1 1053 . 14 1 1 A 96 96 THR CB C 96 70.040 70.325 -0.285 1
1 1055 . 14 1 1 A 96 96 THR N N 96 112.538 114.491 -1.953 1
1 1056 . 14 1 1 A 97 97 GLY H H 97 8.443 8.061 0.382 1
1 1057 . 14 1 1 A 97 97 GLY HA2 H 97 3.482 3.948 -0.466 1
1 1058 . 14 1 1 A 97 97 GLY HA3 H 97 3.862 3.969 -0.107 1
1 1059 . 14 1 1 A 97 97 GLY CA C 97 45.945 44.995 0.950 1
1 1060 . 14 1 1 A 97 97 GLY N N 97 111.464 111.096 0.368 1
1 1061 . 14 1 1 A 98 98 GLU H H 98 8.010 7.426 0.584 1
1 1062 . 14 1 1 A 98 98 GLU HA H 98 4.471 4.244 0.227 1
1 1067 . 14 1 1 A 98 98 GLU CA C 98 54.730 55.753 -1.023 1
1 1068 . 14 1 1 A 98 98 GLU CB C 98 30.719 31.115 -0.396 1
1 1070 . 14 1 1 A 98 98 GLU N N 98 118.563 120.525 -1.962 1
1 1071 . 14 1 1 A 99 99 ASP H H 99 8.680 8.475 0.205 1
1 1072 . 14 1 1 A 99 99 ASP HA H 99 4.612 4.605 0.007 1
1 1075 . 14 1 1 A 99 99 ASP CA C 99 54.451 54.339 0.112 1
1 1076 . 14 1 1 A 99 99 ASP CB C 99 39.540 40.811 -1.271 1
1 1077 . 14 1 1 A 99 99 ASP N N 99 122.219 121.764 0.455 1
1 1078 . 14 1 1 A 100 100 VAL H H 100 8.215 8.094 0.121 1
1 1079 . 14 1 1 A 100 100 VAL HA H 100 4.495 4.834 -0.339 1
1 1087 . 14 1 1 A 100 100 VAL CA C 100 60.920 59.740 1.180 1
1 1088 . 14 1 1 A 100 100 VAL CB C 100 34.150 35.369 -1.219 1
1 1091 . 14 1 1 A 100 100 VAL N N 100 123.901 122.661 1.240 1
1 1092 . 14 1 1 A 101 101 LYS H H 101 8.600 9.394 -0.794 1
1 1093 . 14 1 1 A 101 101 LYS HA H 101 5.112 5.132 -0.020 1
1 1102 . 14 1 1 A 101 101 LYS CA C 101 54.718 54.561 0.157 1
1 1103 . 14 1 1 A 101 101 LYS CB C 101 35.326 36.075 -0.749 1
1 1107 . 14 1 1 A 101 101 LYS N N 101 126.635 128.304 -1.669 1
1 1108 . 14 1 1 A 102 102 VAL H H 102 9.209 9.177 0.032 1
1 1109 . 14 1 1 A 102 102 VAL HA H 102 5.405 4.778 0.627 1
1 1117 . 14 1 1 A 102 102 VAL CA C 102 59.950 61.267 -1.317 1
1 1118 . 14 1 1 A 102 102 VAL CB C 102 34.420 33.329 1.091 1
1 1121 . 14 1 1 A 102 102 VAL N N 102 125.573 126.215 -0.642 1
1 1122 . 14 1 1 A 103 103 ILE H H 103 8.968 9.545 -0.577 1
1 1123 . 14 1 1 A 103 103 ILE HA H 103 4.671 4.829 -0.158 1
1 1133 . 14 1 1 A 103 103 ILE CA C 103 59.790 59.761 0.029 1
1 1134 . 14 1 1 A 103 103 ILE CB C 103 42.522 39.790 2.732 1
1 1138 . 14 1 1 A 103 103 ILE N N 103 125.593 128.612 -3.019 1
1 1139 . 14 1 1 A 104 104 LEU H H 104 9.017 9.046 -0.029 1
1 1140 . 14 1 1 A 104 104 LEU HA H 104 5.361 5.019 0.342 1
1 1150 . 14 1 1 A 104 104 LEU CA C 104 52.800 53.871 -1.071 1
1 1151 . 14 1 1 A 104 104 LEU CB C 104 46.200 42.638 3.562 1
1 1155 . 14 1 1 A 104 104 LEU N N 104 127.791 127.705 0.086 1
1 1156 . 14 1 1 A 105 105 LYS H H 105 9.674 8.852 0.822 1
1 1157 . 14 1 1 A 105 105 LYS HA H 105 5.194 4.649 0.545 1
1 1166 . 14 1 1 A 105 105 LYS CA C 105 53.780 54.630 -0.850 1
1 1167 . 14 1 1 A 105 105 LYS CB C 105 36.330 34.811 1.519 1
1 1171 . 14 1 1 A 105 105 LYS N N 105 126.536 124.550 1.986 1
1 1172 . 14 1 1 A 106 106 ASN H H 106 7.774 8.932 -1.158 1
1 1173 . 14 1 1 A 106 106 ASN HA H 106 2.714 4.720 -2.006 1
1 1178 . 14 1 1 A 106 106 ASN CA C 106 49.530 53.731 -4.201 1
1 1179 . 14 1 1 A 106 106 ASN CB C 106 36.940 39.871 -2.931 1
1 1180 . 14 1 1 A 106 106 ASN N N 106 116.550 122.310 -5.760 1
1 1182 . 14 1 1 A 107 107 SER H H 107 6.988 9.121 -2.133 1
1 1183 . 14 1 1 A 107 107 SER HA H 107 4.092 4.218 -0.126 1
1 1186 . 14 1 1 A 107 107 SER CA C 107 60.490 61.141 -0.651 1
1 1187 . 14 1 1 A 107 107 SER CB C 107 62.510 62.831 -0.321 1
1 1188 . 14 1 1 A 107 107 SER N N 107 112.400 116.799 -4.399 1
1 1189 . 14 1 1 A 108 108 GLN H H 108 7.414 7.770 -0.356 1
1 1190 . 14 1 1 A 108 108 GLN HA H 108 4.404 4.460 -0.056 1
1 1197 . 14 1 1 A 108 108 GLN CA C 108 55.470 55.406 0.064 1
1 1198 . 14 1 1 A 108 108 GLN CB C 108 28.400 29.309 -0.909 1
1 1200 . 14 1 1 A 108 108 GLN N N 108 119.000 118.280 0.720 1
1 1202 . 14 1 1 A 109 109 GLY H H 109 7.835 8.378 -0.543 1
1 1203 . 14 1 1 A 109 109 GLY HA2 H 109 4.136 3.981 0.155 1
1 1204 . 14 1 1 A 109 109 GLY HA3 H 109 3.530 3.984 -0.454 1
1 1205 . 14 1 1 A 109 109 GLY CA C 109 45.549 45.071 0.478 1
1 1206 . 14 1 1 A 109 109 GLY N N 109 107.333 107.652 -0.319 1
1 1207 . 14 1 1 A 110 110 GLU H H 110 7.562 8.013 -0.451 1
1 1208 . 14 1 1 A 110 110 GLU HA H 110 4.209 4.379 -0.170 1
1 1213 . 14 1 1 A 110 110 GLU CA C 110 54.320 55.671 -1.351 1
1 1214 . 14 1 1 A 110 110 GLU CB C 110 29.760 30.958 -1.198 1
1 1216 . 14 1 1 A 110 110 GLU N N 110 120.137 120.619 -0.482 1
1 1217 . 14 1 1 A 111 111 GLU H H 111 8.799 8.446 0.353 1
1 1218 . 14 1 1 A 111 111 GLU HA H 111 4.194 4.852 -0.658 1
1 1223 . 14 1 1 A 111 111 GLU CA C 111 57.160 54.648 2.512 1
1 1224 . 14 1 1 A 111 111 GLU CB C 111 29.175 33.314 -4.139 1
1 1226 . 14 1 1 A 111 111 GLU N N 111 123.867 121.773 2.094 1
1 1227 . 14 1 1 A 112 112 VAL H H 112 9.093 8.656 0.437 1
1 1228 . 14 1 1 A 112 112 VAL HA H 112 4.330 4.337 -0.007 1
1 1236 . 14 1 1 A 112 112 VAL CA C 112 61.529 61.985 -0.456 1
1 1237 . 14 1 1 A 112 112 VAL CB C 112 33.230 33.506 -0.276 1
1 1240 . 14 1 1 A 112 112 VAL N N 112 122.642 121.449 1.193 1
1 1241 . 14 1 1 A 113 113 ALA H H 113 7.793 7.170 0.623 1
1 1242 . 14 1 1 A 113 113 ALA HA H 113 4.770 4.777 -0.007 1
1 1246 . 14 1 1 A 113 113 ALA CA C 113 52.449 50.784 1.665 1
1 1247 . 14 1 1 A 113 113 ALA CB C 113 22.400 22.732 -0.332 1
1 1248 . 14 1 1 A 113 113 ALA N N 113 121.070 122.538 -1.468 1
1 1249 . 14 1 1 A 114 114 GLN H H 114 8.450 8.762 -0.312 1
1 1250 . 14 1 1 A 114 114 GLN HA H 114 5.404 4.762 0.642 1
1 1257 . 14 1 1 A 114 114 GLN CA C 114 54.830 55.006 -0.176 1
1 1258 . 14 1 1 A 114 114 GLN CB C 114 32.307 28.741 3.566 1
1 1260 . 14 1 1 A 114 114 GLN N N 114 115.851 116.566 -0.715 1
1 1262 . 14 1 1 A 115 115 ARG H H 115 8.989 7.865 1.124 1
1 1263 . 14 1 1 A 115 115 ARG HA H 115 4.555 4.515 0.040 1
1 1270 . 14 1 1 A 115 115 ARG CA C 115 56.350 56.503 -0.153 1
1 1271 . 14 1 1 A 115 115 ARG CB C 115 33.730 31.112 2.618 1
1 1274 . 14 1 1 A 115 115 ARG N N 115 122.920 122.352 0.568 1
1 1275 . 14 1 1 A 116 116 SER H H 116 8.511 8.640 -0.129 1
1 1276 . 14 1 1 A 116 116 SER HA H 116 5.756 5.186 0.570 1
1 1279 . 14 1 1 A 116 116 SER CA C 116 56.400 56.167 0.233 1
1 1280 . 14 1 1 A 116 116 SER CB C 116 65.770 65.631 0.139 1
1 1281 . 14 1 1 A 116 116 SER N N 116 119.807 116.039 3.768 1
1 1282 . 14 1 1 A 117 117 THR H H 117 8.801 8.322 0.479 1
1 1283 . 14 1 1 A 117 117 THR HA H 117 4.378 4.687 -0.309 1
1 1288 . 14 1 1 A 117 117 THR CA C 117 62.160 61.389 0.771 1
1 1289 . 14 1 1 A 117 117 THR CB C 117 70.010 70.978 -0.968 1
1 1291 . 14 1 1 A 117 117 THR N N 117 116.435 112.742 3.693 1
1 1292 . 14 1 1 A 118 118 VAL H H 118 8.165 8.670 -0.505 1
1 1293 . 14 1 1 A 118 118 VAL HA H 118 4.227 4.975 -0.748 1
1 1301 . 14 1 1 A 118 118 VAL CA C 118 61.320 59.405 1.915 1
1 1302 . 14 1 1 A 118 118 VAL CB C 118 32.931 34.686 -1.755 1
1 1305 . 14 1 1 A 118 118 VAL N N 118 122.111 120.990 1.121 1
1 1306 . 14 1 1 A 119 119 PHE H H 119 8.580 8.559 0.021 1
1 1307 . 14 1 1 A 119 119 PHE HA H 119 4.655 5.621 -0.966 1
1 1314 . 14 1 1 A 119 119 PHE CA C 119 57.520 55.363 2.157 1
1 1315 . 14 1 1 A 119 119 PHE CB C 119 39.550 41.540 -1.990 1
1 1320 . 14 1 1 A 119 119 PHE N N 119 126.006 124.215 1.791 1
1 1321 . 14 1 1 A 120 120 LYS H H 120 8.346 8.627 -0.281 1
1 1322 . 14 1 1 A 120 120 LYS HA H 120 4.432 4.595 -0.163 1
1 1331 . 14 1 1 A 120 120 LYS CA C 120 55.740 55.223 0.517 1
1 1332 . 14 1 1 A 120 120 LYS CB C 120 33.290 33.560 -0.270 1
1 1336 . 14 1 1 A 120 120 LYS N N 120 124.095 121.907 2.188 1
1 1337 . 14 1 1 A 121 121 THR H H 121 8.294 8.130 0.164 1
1 1338 . 14 1 1 A 121 121 THR HA H 121 4.394 4.086 0.308 1
1 1343 . 14 1 1 A 121 121 THR CA C 121 61.610 62.896 -1.286 1
1 1344 . 14 1 1 A 121 121 THR CB C 121 69.640 66.479 3.161 1
1 1346 . 14 1 1 A 121 121 THR N N 121 116.359 112.594 3.765 1
1 1 . 15 1 1 A 3 3 HIS H H 3 8.528 8.678 -0.150 1
1 2 . 15 1 1 A 3 3 HIS HA H 3 4.626 4.779 -0.153 1
1 5 . 15 1 1 A 3 3 HIS CA C 3 55.260 55.751 -0.491 1
1 6 . 15 1 1 A 3 3 HIS CB C 3 29.250 30.419 -1.169 1
1 7 . 15 1 1 A 3 3 HIS N N 3 118.990 118.515 0.475 1
1 8 . 15 1 1 A 4 4 HIS H H 4 8.528 9.093 -0.565 1
1 9 . 15 1 1 A 4 4 HIS HA H 4 4.624 4.165 0.459 1
1 12 . 15 1 1 A 4 4 HIS CA C 4 55.277 59.419 -4.142 1
1 13 . 15 1 1 A 4 4 HIS CB C 4 29.002 29.930 -0.928 1
1 14 . 15 1 1 A 4 4 HIS N N 4 118.990 121.719 -2.729 1
1 15 . 15 1 1 A 5 5 HIS H H 5 8.579 8.221 0.358 1
1 16 . 15 1 1 A 5 5 HIS HA H 5 4.737 4.137 0.600 1
1 19 . 15 1 1 A 5 5 HIS CA C 5 55.330 56.717 -1.387 1
1 20 . 15 1 1 A 5 5 HIS CB C 5 29.257 28.332 0.925 1
1 21 . 15 1 1 A 5 5 HIS N N 5 119.720 117.394 2.326 1
1 22 . 15 1 1 A 6 6 HIS H H 6 8.603 7.729 0.874 1
1 23 . 15 1 1 A 6 6 HIS HA H 6 4.674 5.051 -0.377 1
1 26 . 15 1 1 A 6 6 HIS CA C 6 55.150 54.284 0.866 1
1 27 . 15 1 1 A 6 6 HIS CB C 6 27.340 31.736 -4.396 1
1 28 . 15 1 1 A 6 6 HIS N N 6 121.420 117.629 3.791 1
1 29 . 15 1 1 A 7 7 HIS H H 7 8.706 8.760 -0.054 1
1 30 . 15 1 1 A 7 7 HIS HA H 7 4.658 4.897 -0.239 1
1 33 . 15 1 1 A 7 7 HIS CA C 7 55.100 54.764 0.336 1
1 34 . 15 1 1 A 7 7 HIS CB C 7 29.300 31.691 -2.391 1
1 35 . 15 1 1 A 7 7 HIS N N 7 121.200 122.642 -1.442 1
1 36 . 15 1 1 A 8 8 HIS H H 8 8.706 8.238 0.468 1
1 37 . 15 1 1 A 8 8 HIS HA H 8 4.706 4.422 0.284 1
1 40 . 15 1 1 A 8 8 HIS CA C 8 55.156 55.919 -0.763 1
1 41 . 15 1 1 A 8 8 HIS CB C 8 29.396 29.697 -0.301 1
1 42 . 15 1 1 A 8 8 HIS N N 8 121.200 123.668 -2.468 1
1 43 . 15 1 1 A 9 9 SER H H 9 8.551 7.221 1.330 1
1 44 . 15 1 1 A 9 9 SER HA H 9 4.450 3.979 0.471 1
1 47 . 15 1 1 A 9 9 SER CA C 9 58.200 58.134 0.066 1
1 48 . 15 1 1 A 9 9 SER CB C 9 63.740 63.680 0.060 1
1 49 . 15 1 1 A 9 9 SER N N 9 118.046 117.168 0.878 1
1 50 . 15 1 1 A 10 10 HIS H H 10 8.770 8.525 0.245 1
1 51 . 15 1 1 A 10 10 HIS HA H 10 4.726 4.732 -0.006 1
1 54 . 15 1 1 A 10 10 HIS CA C 10 55.640 56.140 -0.500 1
1 55 . 15 1 1 A 10 10 HIS CB C 10 29.172 29.570 -0.398 1
1 56 . 15 1 1 A 10 10 HIS N N 10 120.412 125.486 -5.074 1
1 57 . 15 1 1 A 11 11 MET H H 11 8.528 7.285 1.243 1
1 58 . 15 1 1 A 11 11 MET HA H 11 4.658 4.319 0.339 1
1 66 . 15 1 1 A 11 11 MET CA C 11 55.438 54.249 1.189 1
1 67 . 15 1 1 A 11 11 MET CB C 11 33.090 32.788 0.302 1
1 70 . 15 1 1 A 11 11 MET N N 11 122.400 119.673 2.727 1
1 71 . 15 1 1 A 12 12 THR H H 12 8.339 8.603 -0.264 1
1 72 . 15 1 1 A 12 12 THR HA H 12 4.450 4.489 -0.039 1
1 77 . 15 1 1 A 12 12 THR CA C 12 61.810 61.140 0.670 1
1 78 . 15 1 1 A 12 12 THR CB C 12 70.450 70.035 0.415 1
1 80 . 15 1 1 A 12 12 THR N N 12 115.700 117.582 -1.882 1
1 81 . 15 1 1 A 13 13 GLY H H 13 8.426 8.667 -0.241 1
1 82 . 15 1 1 A 13 13 GLY HA2 H 13 4.287 4.130 0.157 1
1 83 . 15 1 1 A 13 13 GLY HA3 H 13 3.877 4.284 -0.407 1
1 84 . 15 1 1 A 13 13 GLY CA C 13 45.243 47.466 -2.223 1
1 85 . 15 1 1 A 13 13 GLY N N 13 110.872 109.093 1.779 1
1 86 . 15 1 1 A 14 14 ASN H H 14 8.374 8.473 -0.099 1
1 87 . 15 1 1 A 14 14 ASN HA H 14 4.720 4.859 -0.139 1
1 92 . 15 1 1 A 14 14 ASN CA C 14 54.200 52.458 1.742 1
1 93 . 15 1 1 A 14 14 ASN CB C 14 39.210 36.592 2.618 1
1 94 . 15 1 1 A 14 14 ASN N N 14 117.789 122.403 -4.614 1
1 96 . 15 1 1 A 15 15 VAL H H 15 7.890 7.678 0.212 1
1 97 . 15 1 1 A 15 15 VAL HA H 15 4.843 4.427 0.416 1
1 105 . 15 1 1 A 15 15 VAL CA C 15 61.759 61.447 0.312 1
1 106 . 15 1 1 A 15 15 VAL CB C 15 33.230 32.850 0.380 1
1 109 . 15 1 1 A 15 15 VAL N N 15 118.720 121.573 -2.853 1
1 110 . 15 1 1 A 16 16 CYS H H 16 9.060 8.894 0.166 1
1 111 . 15 1 1 A 16 16 CYS HA H 16 4.899 5.009 -0.110 1
1 114 . 15 1 1 A 16 16 CYS CA C 16 54.620 57.577 -2.957 1
1 115 . 15 1 1 A 16 16 CYS CB C 16 30.900 28.806 2.094 1
1 116 . 15 1 1 A 16 16 CYS N N 16 122.674 125.759 -3.085 1
1 117 . 15 1 1 A 17 17 ILE H H 17 8.845 8.951 -0.106 1
1 118 . 15 1 1 A 17 17 ILE HA H 17 4.153 4.284 -0.131 1
1 128 . 15 1 1 A 17 17 ILE CA C 17 61.080 61.251 -0.171 1
1 129 . 15 1 1 A 17 17 ILE CB C 17 36.397 37.281 -0.884 1
1 133 . 15 1 1 A 17 17 ILE N N 17 122.609 124.100 -1.491 1
1 134 . 15 1 1 A 18 18 GLU H H 18 8.917 9.105 -0.188 1
1 135 . 15 1 1 A 18 18 GLU HA H 18 4.230 4.270 -0.040 1
1 140 . 15 1 1 A 18 18 GLU CA C 18 57.160 58.480 -1.320 1
1 141 . 15 1 1 A 18 18 GLU CB C 18 30.550 30.452 0.098 1
1 143 . 15 1 1 A 18 18 GLU N N 18 130.894 130.130 0.764 1
1 144 . 15 1 1 A 19 19 GLU H H 19 7.853 7.398 0.455 1
1 145 . 15 1 1 A 19 19 GLU HA H 19 4.470 4.714 -0.244 1
1 150 . 15 1 1 A 19 19 GLU CA C 19 56.110 55.998 0.112 1
1 151 . 15 1 1 A 19 19 GLU CB C 19 33.847 33.346 0.501 1
1 153 . 15 1 1 A 19 19 GLU N N 19 115.069 118.080 -3.011 1
1 154 . 15 1 1 A 20 20 ILE H H 20 8.744 9.039 -0.295 1
1 155 . 15 1 1 A 20 20 ILE HA H 20 4.080 4.550 -0.470 1
1 165 . 15 1 1 A 20 20 ILE CA C 20 60.619 59.915 0.704 1
1 166 . 15 1 1 A 20 20 ILE CB C 20 39.170 40.157 -0.987 1
1 170 . 15 1 1 A 20 20 ILE N N 20 127.309 126.425 0.884 1
1 171 . 15 1 1 A 21 21 ASP H H 21 7.468 8.252 -0.784 1
1 172 . 15 1 1 A 21 21 ASP HA H 21 3.949 4.537 -0.588 1
1 175 . 15 1 1 A 21 21 ASP CA C 21 54.970 54.468 0.502 1
1 176 . 15 1 1 A 21 21 ASP CB C 21 42.170 41.935 0.235 1
1 177 . 15 1 1 A 21 21 ASP N N 21 124.858 127.585 -2.727 1
1 178 . 15 1 1 A 22 22 VAL H H 22 8.650 8.669 -0.019 1
1 179 . 15 1 1 A 22 22 VAL HA H 22 3.998 4.262 -0.264 1
1 187 . 15 1 1 A 22 22 VAL CA C 22 64.445 63.284 1.161 1
1 188 . 15 1 1 A 22 22 VAL CB C 22 31.244 32.839 -1.595 1
1 191 . 15 1 1 A 22 22 VAL N N 22 130.172 125.247 4.925 1
1 192 . 15 1 1 A 23 23 ASP H H 23 7.482 7.700 -0.218 1
1 193 . 15 1 1 A 23 23 ASP HA H 23 4.711 4.545 0.166 1
1 196 . 15 1 1 A 23 23 ASP CA C 23 53.920 54.351 -0.431 1
1 197 . 15 1 1 A 23 23 ASP CB C 23 40.100 41.275 -1.175 1
1 198 . 15 1 1 A 23 23 ASP N N 23 118.547 120.445 -1.898 1
1 199 . 15 1 1 A 24 24 GLY H H 24 7.220 7.550 -0.330 1
1 200 . 15 1 1 A 24 24 GLY HA2 H 24 2.950 2.810 0.140 1
1 201 . 15 1 1 A 24 24 GLY HA3 H 24 2.407 3.449 -1.042 1
1 202 . 15 1 1 A 24 24 GLY CA C 24 45.040 45.482 -0.442 1
1 203 . 15 1 1 A 24 24 GLY N N 24 105.293 106.727 -1.434 1
1 204 . 15 1 1 A 25 25 LYS H H 25 8.757 7.907 0.850 1
1 205 . 15 1 1 A 25 25 LYS HA H 25 3.964 4.337 -0.373 1
1 214 . 15 1 1 A 25 25 LYS CA C 25 56.590 56.696 -0.106 1
1 215 . 15 1 1 A 25 25 LYS CB C 25 33.660 35.569 -1.909 1
1 219 . 15 1 1 A 25 25 LYS N N 25 111.753 117.027 -5.274 1
1 220 . 15 1 1 A 26 26 PHE H H 26 6.380 7.788 -1.408 1
1 221 . 15 1 1 A 26 26 PHE HA H 26 5.753 5.592 0.161 1
1 229 . 15 1 1 A 26 26 PHE CA C 26 56.370 56.313 0.057 1
1 230 . 15 1 1 A 26 26 PHE CB C 26 40.030 40.440 -0.410 1
1 236 . 15 1 1 A 26 26 PHE N N 26 110.097 114.651 -4.554 1
1 237 . 15 1 1 A 27 27 ILE H H 27 8.601 8.503 0.098 1
1 238 . 15 1 1 A 27 27 ILE HA H 27 4.506 4.886 -0.380 1
1 248 . 15 1 1 A 27 27 ILE CA C 27 60.905 59.830 1.075 1
1 249 . 15 1 1 A 27 27 ILE CB C 27 43.249 42.346 0.903 1
1 253 . 15 1 1 A 27 27 ILE N N 27 119.676 119.751 -0.075 1
1 254 . 15 1 1 A 28 28 ARG H H 28 9.290 8.806 0.484 1
1 255 . 15 1 1 A 28 28 ARG HA H 28 5.561 5.257 0.304 1
1 262 . 15 1 1 A 28 28 ARG CA C 28 54.650 54.560 0.090 1
1 263 . 15 1 1 A 28 28 ARG CB C 28 34.180 32.949 1.231 1
1 266 . 15 1 1 A 28 28 ARG N N 28 127.516 127.356 0.160 1
1 267 . 15 1 1 A 29 29 LEU H H 29 9.502 9.067 0.435 1
1 268 . 15 1 1 A 29 29 LEU HA H 29 5.306 5.120 0.186 1
1 278 . 15 1 1 A 29 29 LEU CA C 29 54.010 53.147 0.863 1
1 279 . 15 1 1 A 29 29 LEU CB C 29 44.020 44.738 -0.718 1
1 283 . 15 1 1 A 29 29 LEU N N 29 126.696 127.970 -1.274 1
1 284 . 15 1 1 A 30 30 LYS H H 30 8.641 8.744 -0.103 1
1 285 . 15 1 1 A 30 30 LYS HA H 30 5.108 5.125 -0.017 1
1 294 . 15 1 1 A 30 30 LYS CA C 30 54.660 54.986 -0.326 1
1 295 . 15 1 1 A 30 30 LYS CB C 30 38.070 36.078 1.992 1
1 299 . 15 1 1 A 30 30 LYS N N 30 118.761 121.768 -3.007 1
1 300 . 15 1 1 A 31 31 ASN H H 31 8.397 8.890 -0.493 1
1 301 . 15 1 1 A 31 31 ASN HA H 31 5.319 4.884 0.435 1
1 306 . 15 1 1 A 31 31 ASN CA C 31 50.690 52.861 -2.171 1
1 307 . 15 1 1 A 31 31 ASN CB C 31 37.490 39.964 -2.474 1
1 308 . 15 1 1 A 31 31 ASN N N 31 123.996 124.488 -0.492 1
1 310 . 15 1 1 A 32 32 THR H H 32 8.455 8.754 -0.299 1
1 311 . 15 1 1 A 32 32 THR HA H 32 4.302 4.625 -0.323 1
1 316 . 15 1 1 A 32 32 THR CA C 32 61.492 60.957 0.535 1
1 317 . 15 1 1 A 32 32 THR CB C 32 68.110 69.683 -1.573 1
1 319 . 15 1 1 A 32 32 THR N N 32 115.755 116.284 -0.529 1
1 320 . 15 1 1 A 33 33 SER H H 33 8.487 7.879 0.608 1
1 321 . 15 1 1 A 33 33 SER HA H 33 4.793 4.371 0.422 1
1 324 . 15 1 1 A 33 33 SER CA C 33 57.500 57.882 -0.382 1
1 325 . 15 1 1 A 33 33 SER CB C 33 66.510 65.012 1.498 1
1 326 . 15 1 1 A 33 33 SER N N 33 120.037 119.626 0.411 1
1 327 . 15 1 1 A 34 34 GLU H H 34 8.355 8.562 -0.207 1
1 328 . 15 1 1 A 34 34 GLU HA H 34 4.335 4.181 0.154 1
1 333 . 15 1 1 A 34 34 GLU CA C 34 55.840 58.908 -3.068 1
1 334 . 15 1 1 A 34 34 GLU CB C 34 28.930 30.442 -1.512 1
1 336 . 15 1 1 A 34 34 GLU N N 34 116.545 122.180 -5.635 1
1 337 . 15 1 1 A 35 35 GLN H H 35 8.634 7.680 0.954 1
1 338 . 15 1 1 A 35 35 GLN HA H 35 4.664 4.824 -0.160 1
1 345 . 15 1 1 A 35 35 GLN CA C 35 53.740 54.188 -0.448 1
1 346 . 15 1 1 A 35 35 GLN CB C 35 31.696 32.066 -0.370 1
1 348 . 15 1 1 A 35 35 GLN N N 35 120.013 119.750 0.263 1
1 350 . 15 1 1 A 36 36 ASP H H 36 8.859 8.677 0.182 1
1 351 . 15 1 1 A 36 36 ASP HA H 36 4.050 4.494 -0.444 1
1 354 . 15 1 1 A 36 36 ASP CA C 36 54.640 54.763 -0.123 1
1 355 . 15 1 1 A 36 36 ASP CB C 36 40.120 40.977 -0.857 1
1 356 . 15 1 1 A 36 36 ASP N N 36 124.552 124.952 -0.400 1
1 357 . 15 1 1 A 37 37 GLN H H 37 8.141 8.304 -0.163 1
1 358 . 15 1 1 A 37 37 GLN HA H 37 4.786 4.749 0.037 1
1 365 . 15 1 1 A 37 37 GLN CA C 37 50.858 52.460 -1.602 1
1 366 . 15 1 1 A 37 37 GLN CB C 37 31.860 29.024 2.836 1
1 368 . 15 1 1 A 37 37 GLN N N 37 120.015 122.309 -2.294 1
1 370 . 15 1 1 A 38 38 PRO HA H 38 4.367 4.274 0.093 1
1 377 . 15 1 1 A 38 38 PRO CA C 38 63.330 62.945 0.385 1
1 378 . 15 1 1 A 38 38 PRO CB C 38 31.750 31.401 0.349 1
1 381 . 15 1 1 A 39 39 MET H H 39 8.392 7.916 0.476 1
1 382 . 15 1 1 A 39 39 MET HA H 39 2.792 4.220 -1.428 1
1 390 . 15 1 1 A 39 39 MET CA C 39 53.780 54.138 -0.358 1
1 391 . 15 1 1 A 39 39 MET CB C 39 34.410 31.515 2.895 1
1 394 . 15 1 1 A 39 39 MET N N 39 124.427 122.276 2.151 1
1 395 . 15 1 1 A 40 40 GLY H H 40 7.940 8.038 -0.098 1
1 396 . 15 1 1 A 40 40 GLY HA2 H 40 4.154 4.005 0.149 1
1 397 . 15 1 1 A 40 40 GLY HA3 H 40 3.763 4.048 -0.285 1
1 398 . 15 1 1 A 40 40 GLY CA C 40 48.114 45.879 2.235 1
1 399 . 15 1 1 A 40 40 GLY N N 40 108.664 113.082 -4.418 1
1 400 . 15 1 1 A 41 41 GLY H H 41 7.959 7.972 -0.013 1
1 401 . 15 1 1 A 41 41 GLY HA2 H 41 4.323 3.889 0.434 1
1 402 . 15 1 1 A 41 41 GLY HA3 H 41 3.769 3.914 -0.145 1
1 403 . 15 1 1 A 41 41 GLY CA C 41 46.020 46.506 -0.486 1
1 404 . 15 1 1 A 41 41 GLY N N 41 114.027 107.630 6.397 1
1 405 . 15 1 1 A 42 42 TRP H H 42 8.667 7.731 0.936 1
1 406 . 15 1 1 A 42 42 TRP HA H 42 4.408 5.296 -0.888 1
1 415 . 15 1 1 A 42 42 TRP CA C 42 58.925 55.834 3.091 1
1 416 . 15 1 1 A 42 42 TRP CB C 42 28.120 33.943 -5.823 1
1 422 . 15 1 1 A 42 42 TRP N N 42 122.097 119.207 2.890 1
1 424 . 15 1 1 A 43 43 GLU H H 43 8.740 9.247 -0.507 1
1 425 . 15 1 1 A 43 43 GLU HA H 43 5.462 5.199 0.263 1
1 430 . 15 1 1 A 43 43 GLU CA C 43 54.410 54.935 -0.525 1
1 431 . 15 1 1 A 43 43 GLU CB C 43 33.980 33.166 0.814 1
1 433 . 15 1 1 A 43 43 GLU N N 43 120.300 123.338 -3.038 1
1 434 . 15 1 1 A 44 44 MET H H 44 9.658 9.292 0.366 1
1 435 . 15 1 1 A 44 44 MET HA H 44 5.488 5.530 -0.042 1
1 443 . 15 1 1 A 44 44 MET CA C 44 53.360 53.893 -0.533 1
1 444 . 15 1 1 A 44 44 MET CB C 44 37.490 34.687 2.803 1
1 447 . 15 1 1 A 44 44 MET N N 44 126.477 126.739 -0.262 1
1 448 . 15 1 1 A 45 45 ILE H H 45 9.658 9.185 0.473 1
1 449 . 15 1 1 A 45 45 ILE HA H 45 4.781 5.121 -0.340 1
1 459 . 15 1 1 A 45 45 ILE CA C 45 60.413 59.972 0.441 1
1 460 . 15 1 1 A 45 45 ILE CB C 45 40.804 40.590 0.214 1
1 464 . 15 1 1 A 45 45 ILE N N 45 127.329 127.079 0.250 1
1 465 . 15 1 1 A 46 46 ARG H H 46 9.217 8.887 0.330 1
1 466 . 15 1 1 A 46 46 ARG HA H 46 5.083 5.065 0.018 1
1 474 . 15 1 1 A 46 46 ARG CA C 46 53.760 55.584 -1.824 1
1 475 . 15 1 1 A 46 46 ARG CB C 46 33.559 34.055 -0.496 1
1 478 . 15 1 1 A 46 46 ARG N N 46 126.837 124.931 1.906 1
1 480 . 15 1 1 A 47 47 LYS H H 47 9.876 8.748 1.128 1
1 481 . 15 1 1 A 47 47 LYS HA H 47 5.257 5.181 0.076 1
1 490 . 15 1 1 A 47 47 LYS CA C 47 55.260 54.747 0.513 1
1 491 . 15 1 1 A 47 47 LYS CB C 47 34.860 35.942 -1.082 1
1 495 . 15 1 1 A 47 47 LYS N N 47 132.271 125.262 7.009 1
1 496 . 15 1 1 A 48 48 ILE H H 48 7.909 8.544 -0.635 1
1 497 . 15 1 1 A 48 48 ILE HA H 48 4.360 4.509 -0.149 1
1 507 . 15 1 1 A 48 48 ILE CA C 48 61.132 59.730 1.402 1
1 508 . 15 1 1 A 48 48 ILE CB C 48 40.316 40.014 0.302 1
1 512 . 15 1 1 A 48 48 ILE N N 48 125.793 122.751 3.042 1
1 513 . 15 1 1 A 49 49 GLY H H 49 9.576 9.047 0.529 1
1 514 . 15 1 1 A 49 49 GLY HA2 H 49 4.021 3.873 0.148 1
1 515 . 15 1 1 A 49 49 GLY HA3 H 49 3.730 3.874 -0.144 1
1 516 . 15 1 1 A 49 49 GLY CA C 49 46.910 47.329 -0.419 1
1 517 . 15 1 1 A 49 49 GLY N N 49 120.665 118.941 1.724 1
1 518 . 15 1 1 A 50 50 ASP H H 50 8.935 8.535 0.400 1
1 519 . 15 1 1 A 50 50 ASP HA H 50 4.777 4.942 -0.165 1
1 522 . 15 1 1 A 50 50 ASP CA C 50 54.000 54.449 -0.449 1
1 523 . 15 1 1 A 50 50 ASP CB C 50 40.520 42.976 -2.456 1
1 524 . 15 1 1 A 50 50 ASP N N 50 126.343 122.109 4.234 1
1 525 . 15 1 1 A 51 51 THR H H 51 8.253 7.749 0.504 1
1 526 . 15 1 1 A 51 51 THR HA H 51 4.638 4.298 0.340 1
1 531 . 15 1 1 A 51 51 THR CA C 51 61.690 63.365 -1.675 1
1 532 . 15 1 1 A 51 51 THR CB C 51 71.080 69.716 1.364 1
1 534 . 15 1 1 A 51 51 THR N N 51 115.167 116.105 -0.938 1
1 535 . 15 1 1 A 52 52 SER H H 52 8.710 8.650 0.060 1
1 536 . 15 1 1 A 52 52 SER HA H 52 5.318 5.755 -0.437 1
1 539 . 15 1 1 A 52 52 SER CA C 52 57.290 55.942 1.348 1
1 540 . 15 1 1 A 52 52 SER CB C 52 64.730 66.586 -1.856 1
1 541 . 15 1 1 A 52 52 SER N N 52 121.442 119.991 1.451 1
1 542 . 15 1 1 A 53 53 VAL H H 53 8.448 9.070 -0.622 1
1 543 . 15 1 1 A 53 53 VAL HA H 53 4.650 4.978 -0.328 1
1 551 . 15 1 1 A 53 53 VAL CA C 53 60.449 59.944 0.505 1
1 552 . 15 1 1 A 53 53 VAL CB C 53 35.105 35.917 -0.812 1
1 555 . 15 1 1 A 53 53 VAL N N 53 121.387 121.046 0.341 1
1 556 . 15 1 1 A 54 54 SER H H 54 8.761 9.184 -0.423 1
1 557 . 15 1 1 A 54 54 SER HA H 54 5.760 5.788 -0.028 1
1 560 . 15 1 1 A 54 54 SER CA C 54 57.180 56.819 0.361 1
1 561 . 15 1 1 A 54 54 SER CB C 54 65.910 66.950 -1.040 1
1 562 . 15 1 1 A 54 54 SER N N 54 118.025 120.843 -2.818 1
1 563 . 15 1 1 A 55 55 TYR H H 55 9.340 8.703 0.637 1
1 564 . 15 1 1 A 55 55 TYR HA H 55 4.175 4.669 -0.494 1
1 571 . 15 1 1 A 55 55 TYR CA C 55 57.100 57.876 -0.776 1
1 572 . 15 1 1 A 55 55 TYR CB C 55 39.870 40.383 -0.513 1
1 577 . 15 1 1 A 55 55 TYR N N 55 128.024 121.248 6.776 1
1 578 . 15 1 1 A 56 56 LYS H H 56 7.551 8.130 -0.579 1
1 579 . 15 1 1 A 56 56 LYS HA H 56 4.890 4.484 0.406 1
1 588 . 15 1 1 A 56 56 LYS CA C 56 54.117 55.303 -1.186 1
1 589 . 15 1 1 A 56 56 LYS CB C 56 33.610 33.525 0.085 1
1 593 . 15 1 1 A 56 56 LYS N N 56 127.706 129.595 -1.889 1
1 594 . 15 1 1 A 57 57 TYR H H 57 8.247 8.731 -0.484 1
1 595 . 15 1 1 A 57 57 TYR HA H 57 3.996 4.660 -0.664 1
1 602 . 15 1 1 A 57 57 TYR CA C 57 59.032 58.826 0.206 1
1 603 . 15 1 1 A 57 57 TYR CB C 57 39.390 39.232 0.158 1
1 608 . 15 1 1 A 57 57 TYR N N 57 124.225 126.553 -2.328 1
1 609 . 15 1 1 A 58 58 THR H H 58 8.722 8.735 -0.013 1
1 610 . 15 1 1 A 58 58 THR HA H 58 4.259 5.154 -0.895 1
1 615 . 15 1 1 A 58 58 THR CA C 58 62.250 59.716 2.534 1
1 616 . 15 1 1 A 58 58 THR CB C 58 69.280 71.350 -2.070 1
1 618 . 15 1 1 A 58 58 THR N N 58 116.096 115.535 0.561 1
1 619 . 15 1 1 A 59 59 SER H H 59 8.402 8.796 -0.394 1
1 620 . 15 1 1 A 59 59 SER HA H 59 4.050 4.620 -0.570 1
1 623 . 15 1 1 A 59 59 SER CA C 59 61.680 57.595 4.085 1
1 624 . 15 1 1 A 59 59 SER CB C 59 63.210 62.325 0.885 1
1 625 . 15 1 1 A 59 59 SER N N 59 114.556 124.110 -9.554 1
1 626 . 15 1 1 A 60 60 ARG H H 60 8.176 8.602 -0.426 1
1 627 . 15 1 1 A 60 60 ARG HA H 60 4.489 4.724 -0.235 1
1 634 . 15 1 1 A 60 60 ARG CA C 60 54.960 55.855 -0.895 1
1 635 . 15 1 1 A 60 60 ARG CB C 60 29.846 31.571 -1.725 1
1 638 . 15 1 1 A 60 60 ARG N N 60 118.244 124.428 -6.184 1
1 639 . 15 1 1 A 61 61 TYR H H 61 7.617 7.496 0.121 1
1 640 . 15 1 1 A 61 61 TYR HA H 61 3.897 4.893 -0.996 1
1 647 . 15 1 1 A 61 61 TYR CA C 61 61.930 56.569 5.361 1
1 648 . 15 1 1 A 61 61 TYR CB C 61 38.670 39.920 -1.250 1
1 653 . 15 1 1 A 61 61 TYR N N 61 122.301 116.399 5.902 1
1 654 . 15 1 1 A 62 62 VAL H H 62 7.363 8.916 -1.553 1
1 655 . 15 1 1 A 62 62 VAL HA H 62 3.893 4.563 -0.670 1
1 663 . 15 1 1 A 62 62 VAL CA C 62 60.590 60.325 0.265 1
1 664 . 15 1 1 A 62 62 VAL CB C 62 35.270 34.189 1.081 1
1 667 . 15 1 1 A 62 62 VAL N N 62 129.952 117.144 12.808 1
1 668 . 15 1 1 A 63 63 LEU H H 63 7.852 8.813 -0.961 1
1 669 . 15 1 1 A 63 63 LEU HA H 63 4.558 4.628 -0.070 1
1 679 . 15 1 1 A 63 63 LEU CA C 63 51.980 55.009 -3.029 1
1 680 . 15 1 1 A 63 63 LEU CB C 63 42.600 42.341 0.259 1
1 684 . 15 1 1 A 63 63 LEU N N 63 128.635 128.222 0.413 1
1 685 . 15 1 1 A 64 64 LYS H H 64 8.770 8.468 0.302 1
1 686 . 15 1 1 A 64 64 LYS HA H 64 3.722 4.531 -0.809 1
1 695 . 15 1 1 A 64 64 LYS CA C 64 57.360 57.399 -0.039 1
1 696 . 15 1 1 A 64 64 LYS CB C 64 32.381 32.248 0.133 1
1 700 . 15 1 1 A 64 64 LYS N N 64 130.633 127.073 3.560 1
1 701 . 15 1 1 A 65 65 ALA H H 65 8.628 8.575 0.053 1
1 702 . 15 1 1 A 65 65 ALA HA H 65 3.557 4.007 -0.450 1
1 706 . 15 1 1 A 65 65 ALA CA C 65 53.700 53.693 0.007 1
1 707 . 15 1 1 A 65 65 ALA CB C 65 18.660 18.296 0.364 1
1 708 . 15 1 1 A 65 65 ALA N N 65 123.214 126.784 -3.570 1
1 709 . 15 1 1 A 66 66 GLY H H 66 7.505 8.689 -1.184 1
1 710 . 15 1 1 A 66 66 GLY HA2 H 66 4.020 3.851 0.169 1
1 711 . 15 1 1 A 66 66 GLY HA3 H 66 4.020 3.854 0.166 1
1 712 . 15 1 1 A 66 66 GLY CA C 66 46.864 46.148 0.716 1
1 713 . 15 1 1 A 66 66 GLY N N 66 112.913 110.633 2.280 1
1 714 . 15 1 1 A 67 67 GLN H H 67 8.136 7.237 0.899 1
1 715 . 15 1 1 A 67 67 GLN HA H 67 4.436 4.848 -0.412 1
1 722 . 15 1 1 A 67 67 GLN CA C 67 55.029 54.231 0.798 1
1 723 . 15 1 1 A 67 67 GLN CB C 67 29.700 31.864 -2.164 1
1 725 . 15 1 1 A 67 67 GLN N N 67 118.759 119.345 -0.586 1
1 727 . 15 1 1 A 68 68 THR H H 68 8.066 8.461 -0.395 1
1 728 . 15 1 1 A 68 68 THR HA H 68 5.414 5.367 0.047 1
1 733 . 15 1 1 A 68 68 THR CA C 68 60.050 60.378 -0.328 1
1 734 . 15 1 1 A 68 68 THR CB C 68 72.052 70.273 1.779 1
1 736 . 15 1 1 A 68 68 THR N N 68 111.842 115.942 -4.100 1
1 737 . 15 1 1 A 69 69 VAL H H 69 8.780 9.091 -0.311 1
1 738 . 15 1 1 A 69 69 VAL HA H 69 4.989 5.020 -0.031 1
1 746 . 15 1 1 A 69 69 VAL CA C 69 59.265 59.625 -0.360 1
1 747 . 15 1 1 A 69 69 VAL CB C 69 33.600 34.249 -0.649 1
1 750 . 15 1 1 A 69 69 VAL N N 69 120.958 124.526 -3.568 1
1 751 . 15 1 1 A 70 70 THR H H 70 8.660 8.987 -0.327 1
1 752 . 15 1 1 A 70 70 THR HA H 70 4.618 5.217 -0.599 1
1 757 . 15 1 1 A 70 70 THR CA C 70 61.730 61.888 -0.158 1
1 758 . 15 1 1 A 70 70 THR CB C 70 69.550 69.626 -0.076 1
1 760 . 15 1 1 A 70 70 THR N N 70 125.533 123.199 2.334 1
1 761 . 15 1 1 A 71 71 ILE H H 71 8.994 9.527 -0.533 1
1 762 . 15 1 1 A 71 71 ILE HA H 71 4.369 5.212 -0.843 1
1 772 . 15 1 1 A 71 71 ILE CA C 71 59.162 60.436 -1.274 1
1 773 . 15 1 1 A 71 71 ILE CB C 71 36.826 37.865 -1.039 1
1 777 . 15 1 1 A 71 71 ILE N N 71 127.838 128.196 -0.358 1
1 778 . 15 1 1 A 72 72 TRP H H 72 9.270 9.235 0.035 1
1 779 . 15 1 1 A 72 72 TRP HA H 72 5.167 5.200 -0.033 1
1 788 . 15 1 1 A 72 72 TRP CA C 72 56.180 57.076 -0.896 1
1 789 . 15 1 1 A 72 72 TRP CB C 72 31.490 30.375 1.115 1
1 795 . 15 1 1 A 72 72 TRP N N 72 127.112 129.301 -2.189 1
1 797 . 15 1 1 A 73 73 ALA H H 73 9.010 9.080 -0.070 1
1 798 . 15 1 1 A 73 73 ALA HA H 73 4.617 4.646 -0.029 1
1 802 . 15 1 1 A 73 73 ALA CA C 73 52.110 51.594 0.516 1
1 803 . 15 1 1 A 73 73 ALA CB C 73 19.070 20.186 -1.116 1
1 804 . 15 1 1 A 73 73 ALA N N 73 122.140 127.230 -5.090 1
1 805 . 15 1 1 A 74 74 ALA H H 74 9.002 9.115 -0.113 1
1 806 . 15 1 1 A 74 74 ALA HA H 74 4.042 4.064 -0.022 1
1 810 . 15 1 1 A 74 74 ALA CA C 74 54.650 54.659 -0.009 1
1 811 . 15 1 1 A 74 74 ALA CB C 74 18.070 18.382 -0.312 1
1 812 . 15 1 1 A 74 74 ALA N N 74 123.213 120.951 2.262 1
1 813 . 15 1 1 A 75 75 ASN H H 75 8.162 7.962 0.200 1
1 814 . 15 1 1 A 75 75 ASN HA H 75 5.015 5.022 -0.007 1
1 819 . 15 1 1 A 75 75 ASN CA C 75 51.650 53.142 -1.492 1
1 820 . 15 1 1 A 75 75 ASN CB C 75 36.590 39.022 -2.432 1
1 821 . 15 1 1 A 75 75 ASN N N 75 112.259 115.226 -2.967 1
1 823 . 15 1 1 A 76 76 ALA H H 76 7.605 7.753 -0.148 1
1 824 . 15 1 1 A 76 76 ALA HA H 76 4.281 4.357 -0.076 1
1 828 . 15 1 1 A 76 76 ALA CA C 76 53.203 54.759 -1.556 1
1 829 . 15 1 1 A 76 76 ALA CB C 76 20.210 18.751 1.459 1
1 830 . 15 1 1 A 76 76 ALA N N 76 120.777 123.917 -3.140 1
1 831 . 15 1 1 A 77 77 GLY H H 77 8.449 8.529 -0.080 1
1 832 . 15 1 1 A 77 77 GLY HA2 H 77 3.960 3.871 0.089 1
1 833 . 15 1 1 A 77 77 GLY HA3 H 77 3.537 3.877 -0.340 1
1 834 . 15 1 1 A 77 77 GLY CA C 77 45.410 46.171 -0.761 1
1 835 . 15 1 1 A 77 77 GLY N N 77 107.064 106.378 0.686 1
1 836 . 15 1 1 A 78 78 VAL H H 78 7.286 7.546 -0.260 1
1 837 . 15 1 1 A 78 78 VAL HA H 78 3.804 4.560 -0.756 1
1 845 . 15 1 1 A 78 78 VAL CA C 78 60.736 59.162 1.574 1
1 846 . 15 1 1 A 78 78 VAL CB C 78 33.590 34.697 -1.107 1
1 849 . 15 1 1 A 78 78 VAL N N 78 120.566 115.040 5.526 1
1 850 . 15 1 1 A 79 79 THR H H 79 8.148 8.381 -0.233 1
1 851 . 15 1 1 A 79 79 THR HA H 79 4.145 4.289 -0.144 1
1 856 . 15 1 1 A 79 79 THR CA C 79 61.395 62.251 -0.856 1
1 857 . 15 1 1 A 79 79 THR CB C 79 69.620 69.488 0.132 1
1 859 . 15 1 1 A 79 79 THR N N 79 121.617 113.795 7.822 1
1 860 . 15 1 1 A 80 80 ALA H H 80 8.593 8.696 -0.103 1
1 861 . 15 1 1 A 80 80 ALA HA H 80 3.703 4.386 -0.683 1
1 865 . 15 1 1 A 80 80 ALA CA C 80 53.410 52.817 0.593 1
1 866 . 15 1 1 A 80 80 ALA CB C 80 19.180 19.084 0.096 1
1 867 . 15 1 1 A 80 80 ALA N N 80 126.311 126.343 -0.032 1
1 868 . 15 1 1 A 81 81 SER H H 81 9.101 7.647 1.454 1
1 869 . 15 1 1 A 81 81 SER HA H 81 4.747 4.893 -0.146 1
1 872 . 15 1 1 A 81 81 SER CA C 81 55.046 54.846 0.200 1
1 873 . 15 1 1 A 81 81 SER CB C 81 62.680 65.646 -2.966 1
1 874 . 15 1 1 A 81 81 SER N N 81 114.816 113.584 1.232 1
1 875 . 15 1 1 A 82 82 PRO HA H 82 4.328 4.443 -0.115 1
1 882 . 15 1 1 A 82 82 PRO CA C 82 62.158 62.256 -0.098 1
1 883 . 15 1 1 A 82 82 PRO CB C 82 30.480 32.022 -1.542 1
1 886 . 15 1 1 A 83 83 PRO HA H 83 4.821 4.222 0.599 1
1 893 . 15 1 1 A 83 83 PRO CA C 83 64.384 63.801 0.583 1
1 894 . 15 1 1 A 83 83 PRO CB C 83 34.750 31.735 3.015 1
1 897 . 15 1 1 A 84 84 THR H H 84 8.007 8.434 -0.427 1
1 898 . 15 1 1 A 84 84 THR HA H 84 4.567 3.782 0.785 1
1 903 . 15 1 1 A 84 84 THR CA C 84 64.770 64.200 0.570 1
1 904 . 15 1 1 A 84 84 THR CB C 84 69.370 68.614 0.756 1
1 906 . 15 1 1 A 84 84 THR N N 84 114.629 118.547 -3.918 1
1 907 . 15 1 1 A 85 85 ASP H H 85 7.952 8.339 -0.387 1
1 908 . 15 1 1 A 85 85 ASP HA H 85 5.950 4.792 1.158 1
1 911 . 15 1 1 A 85 85 ASP CA C 85 54.110 54.330 -0.220 1
1 912 . 15 1 1 A 85 85 ASP CB C 85 43.510 42.225 1.285 1
1 913 . 15 1 1 A 85 85 ASP N N 85 124.539 121.596 2.943 1
1 914 . 15 1 1 A 86 86 LEU H H 86 9.271 8.660 0.611 1
1 915 . 15 1 1 A 86 86 LEU HA H 86 4.953 5.006 -0.053 1
1 925 . 15 1 1 A 86 86 LEU CA C 86 52.230 53.792 -1.562 1
1 926 . 15 1 1 A 86 86 LEU CB C 86 44.070 46.472 -2.402 1
1 930 . 15 1 1 A 86 86 LEU N N 86 124.265 119.688 4.577 1
1 931 . 15 1 1 A 87 87 ILE H H 87 8.691 9.111 -0.420 1
1 932 . 15 1 1 A 87 87 ILE HA H 87 4.802 5.259 -0.457 1
1 942 . 15 1 1 A 87 87 ILE CA C 87 58.694 60.506 -1.812 1
1 943 . 15 1 1 A 87 87 ILE CB C 87 37.945 39.205 -1.260 1
1 947 . 15 1 1 A 87 87 ILE N N 87 119.475 123.443 -3.968 1
1 948 . 15 1 1 A 88 88 TRP H H 88 9.755 9.164 0.591 1
1 949 . 15 1 1 A 88 88 TRP HA H 88 4.918 3.774 1.144 1
1 958 . 15 1 1 A 88 88 TRP CA C 88 54.900 55.284 -0.384 1
1 959 . 15 1 1 A 88 88 TRP CB C 88 27.270 28.502 -1.232 1
1 965 . 15 1 1 A 88 88 TRP N N 88 132.610 129.925 2.685 1
1 967 . 15 1 1 A 89 89 LYS H H 89 8.282 8.363 -0.081 1
1 968 . 15 1 1 A 89 89 LYS HA H 89 3.996 4.489 -0.493 1
1 977 . 15 1 1 A 89 89 LYS CA C 89 58.847 57.518 1.329 1
1 978 . 15 1 1 A 89 89 LYS CB C 89 32.360 32.968 -0.608 1
1 982 . 15 1 1 A 89 89 LYS N N 89 125.513 127.546 -2.033 1
1 983 . 15 1 1 A 90 90 ASN H H 90 8.810 8.360 0.450 1
1 984 . 15 1 1 A 90 90 ASN HA H 90 4.434 5.102 -0.668 1
1 989 . 15 1 1 A 90 90 ASN CA C 90 54.010 53.278 0.732 1
1 990 . 15 1 1 A 90 90 ASN CB C 90 37.770 40.492 -2.722 1
1 991 . 15 1 1 A 90 90 ASN N N 90 114.946 118.147 -3.201 1
1 993 . 15 1 1 A 91 91 GLN H H 91 7.546 7.106 0.440 1
1 994 . 15 1 1 A 91 91 GLN HA H 91 4.412 4.803 -0.391 1
1 1001 . 15 1 1 A 91 91 GLN CA C 91 53.520 54.800 -1.280 1
1 1002 . 15 1 1 A 91 91 GLN CB C 91 28.470 31.757 -3.287 1
1 1004 . 15 1 1 A 91 91 GLN N N 91 117.746 118.906 -1.160 1
1 1006 . 15 1 1 A 92 92 ASN H H 92 8.451 8.733 -0.282 1
1 1007 . 15 1 1 A 92 92 ASN HA H 92 4.876 4.981 -0.105 1
1 1012 . 15 1 1 A 92 92 ASN CA C 92 52.080 51.829 0.251 1
1 1013 . 15 1 1 A 92 92 ASN CB C 92 39.400 39.745 -0.345 1
1 1014 . 15 1 1 A 92 92 ASN N N 92 123.697 123.687 0.010 1
1 1016 . 15 1 1 A 93 93 SER H H 93 9.337 8.422 0.915 1
1 1017 . 15 1 1 A 93 93 SER HA H 93 3.977 4.069 -0.092 1
1 1020 . 15 1 1 A 93 93 SER CA C 93 58.940 58.583 0.357 1
1 1021 . 15 1 1 A 93 93 SER CB C 93 62.940 63.478 -0.538 1
1 1022 . 15 1 1 A 93 93 SER N N 93 117.010 114.757 2.253 1
1 1023 . 15 1 1 A 94 94 TRP H H 94 7.857 8.110 -0.253 1
1 1024 . 15 1 1 A 94 94 TRP HA H 94 4.905 4.221 0.684 1
1 1033 . 15 1 1 A 94 94 TRP CA C 94 56.770 58.123 -1.353 1
1 1034 . 15 1 1 A 94 94 TRP CB C 94 27.900 27.088 0.812 1
1 1039 . 15 1 1 A 94 94 TRP N N 94 120.449 122.059 -1.610 1
1 1041 . 15 1 1 A 95 95 GLY H H 95 7.795 8.168 -0.373 1
1 1042 . 15 1 1 A 95 95 GLY HA2 H 95 3.953 4.037 -0.084 1
1 1043 . 15 1 1 A 95 95 GLY HA3 H 95 3.763 4.090 -0.327 1
1 1044 . 15 1 1 A 95 95 GLY CA C 95 45.487 43.891 1.596 1
1 1045 . 15 1 1 A 95 95 GLY N N 95 109.481 109.560 -0.079 1
1 1046 . 15 1 1 A 96 96 THR H H 96 8.028 8.294 -0.266 1
1 1047 . 15 1 1 A 96 96 THR HA H 96 4.696 4.465 0.231 1
1 1052 . 15 1 1 A 96 96 THR CA C 96 60.880 63.076 -2.196 1
1 1053 . 15 1 1 A 96 96 THR CB C 96 70.040 71.547 -1.507 1
1 1055 . 15 1 1 A 96 96 THR N N 96 112.538 117.430 -4.892 1
1 1056 . 15 1 1 A 97 97 GLY H H 97 8.443 7.428 1.015 1
1 1057 . 15 1 1 A 97 97 GLY HA2 H 97 3.482 4.109 -0.627 1
1 1058 . 15 1 1 A 97 97 GLY HA3 H 97 3.862 4.125 -0.263 1
1 1059 . 15 1 1 A 97 97 GLY CA C 97 45.945 45.757 0.188 1
1 1060 . 15 1 1 A 97 97 GLY N N 97 111.464 108.327 3.137 1
1 1061 . 15 1 1 A 98 98 GLU H H 98 8.010 7.853 0.157 1
1 1062 . 15 1 1 A 98 98 GLU HA H 98 4.471 4.646 -0.175 1
1 1067 . 15 1 1 A 98 98 GLU CA C 98 54.730 55.508 -0.778 1
1 1068 . 15 1 1 A 98 98 GLU CB C 98 30.719 30.734 -0.015 1
1 1070 . 15 1 1 A 98 98 GLU N N 98 118.563 119.698 -1.135 1
1 1071 . 15 1 1 A 99 99 ASP H H 99 8.680 8.824 -0.144 1
1 1072 . 15 1 1 A 99 99 ASP HA H 99 4.612 4.815 -0.203 1
1 1075 . 15 1 1 A 99 99 ASP CA C 99 54.451 53.777 0.674 1
1 1076 . 15 1 1 A 99 99 ASP CB C 99 39.540 39.970 -0.430 1
1 1077 . 15 1 1 A 99 99 ASP N N 99 122.219 121.267 0.952 1
1 1078 . 15 1 1 A 100 100 VAL H H 100 8.215 7.533 0.682 1
1 1079 . 15 1 1 A 100 100 VAL HA H 100 4.495 4.024 0.471 1
1 1087 . 15 1 1 A 100 100 VAL CA C 100 60.920 62.642 -1.722 1
1 1088 . 15 1 1 A 100 100 VAL CB C 100 34.150 32.558 1.592 1
1 1091 . 15 1 1 A 100 100 VAL N N 100 123.901 120.846 3.055 1
1 1092 . 15 1 1 A 101 101 LYS H H 101 8.600 8.355 0.245 1
1 1093 . 15 1 1 A 101 101 LYS HA H 101 5.112 5.066 0.046 1
1 1102 . 15 1 1 A 101 101 LYS CA C 101 54.718 54.551 0.167 1
1 1103 . 15 1 1 A 101 101 LYS CB C 101 35.326 36.356 -1.030 1
1 1107 . 15 1 1 A 101 101 LYS N N 101 126.635 129.002 -2.367 1
1 1108 . 15 1 1 A 102 102 VAL H H 102 9.209 8.970 0.239 1
1 1109 . 15 1 1 A 102 102 VAL HA H 102 5.405 5.168 0.237 1
1 1117 . 15 1 1 A 102 102 VAL CA C 102 59.950 59.538 0.412 1
1 1118 . 15 1 1 A 102 102 VAL CB C 102 34.420 35.503 -1.083 1
1 1121 . 15 1 1 A 102 102 VAL N N 102 125.573 123.358 2.215 1
1 1122 . 15 1 1 A 103 103 ILE H H 103 8.968 9.292 -0.324 1
1 1123 . 15 1 1 A 103 103 ILE HA H 103 4.671 4.932 -0.261 1
1 1133 . 15 1 1 A 103 103 ILE CA C 103 59.790 59.712 0.078 1
1 1134 . 15 1 1 A 103 103 ILE CB C 103 42.522 42.008 0.514 1
1 1138 . 15 1 1 A 103 103 ILE N N 103 125.593 126.402 -0.809 1
1 1139 . 15 1 1 A 104 104 LEU H H 104 9.017 9.098 -0.081 1
1 1140 . 15 1 1 A 104 104 LEU HA H 104 5.361 5.245 0.116 1
1 1150 . 15 1 1 A 104 104 LEU CA C 104 52.800 53.777 -0.977 1
1 1151 . 15 1 1 A 104 104 LEU CB C 104 46.200 43.423 2.777 1
1 1155 . 15 1 1 A 104 104 LEU N N 104 127.791 127.068 0.723 1
1 1156 . 15 1 1 A 105 105 LYS H H 105 9.674 8.754 0.920 1
1 1157 . 15 1 1 A 105 105 LYS HA H 105 5.194 5.079 0.115 1
1 1166 . 15 1 1 A 105 105 LYS CA C 105 53.780 54.201 -0.421 1
1 1167 . 15 1 1 A 105 105 LYS CB C 105 36.330 35.763 0.567 1
1 1171 . 15 1 1 A 105 105 LYS N N 105 126.536 123.671 2.865 1
1 1172 . 15 1 1 A 106 106 ASN H H 106 7.774 8.664 -0.890 1
1 1173 . 15 1 1 A 106 106 ASN HA H 106 2.714 4.633 -1.919 1
1 1178 . 15 1 1 A 106 106 ASN CA C 106 49.530 51.882 -2.352 1
1 1179 . 15 1 1 A 106 106 ASN CB C 106 36.940 39.191 -2.251 1
1 1180 . 15 1 1 A 106 106 ASN N N 106 116.550 120.137 -3.587 1
1 1182 . 15 1 1 A 107 107 SER H H 107 6.988 8.606 -1.618 1
1 1183 . 15 1 1 A 107 107 SER HA H 107 4.092 4.123 -0.031 1
1 1186 . 15 1 1 A 107 107 SER CA C 107 60.490 61.188 -0.698 1
1 1187 . 15 1 1 A 107 107 SER CB C 107 62.510 62.692 -0.182 1
1 1188 . 15 1 1 A 107 107 SER N N 107 112.400 116.469 -4.069 1
1 1189 . 15 1 1 A 108 108 GLN H H 108 7.414 7.645 -0.231 1
1 1190 . 15 1 1 A 108 108 GLN HA H 108 4.404 4.333 0.071 1
1 1197 . 15 1 1 A 108 108 GLN CA C 108 55.470 55.625 -0.155 1
1 1198 . 15 1 1 A 108 108 GLN CB C 108 28.400 29.182 -0.782 1
1 1200 . 15 1 1 A 108 108 GLN N N 108 119.000 118.629 0.371 1
1 1202 . 15 1 1 A 109 109 GLY H H 109 7.835 8.326 -0.491 1
1 1203 . 15 1 1 A 109 109 GLY HA2 H 109 4.136 3.906 0.230 1
1 1204 . 15 1 1 A 109 109 GLY HA3 H 109 3.530 3.912 -0.382 1
1 1205 . 15 1 1 A 109 109 GLY CA C 109 45.549 44.927 0.622 1
1 1206 . 15 1 1 A 109 109 GLY N N 109 107.333 108.105 -0.772 1
1 1207 . 15 1 1 A 110 110 GLU H H 110 7.562 7.883 -0.321 1
1 1208 . 15 1 1 A 110 110 GLU HA H 110 4.209 4.319 -0.110 1
1 1213 . 15 1 1 A 110 110 GLU CA C 110 54.320 56.298 -1.978 1
1 1214 . 15 1 1 A 110 110 GLU CB C 110 29.760 30.791 -1.031 1
1 1216 . 15 1 1 A 110 110 GLU N N 110 120.137 120.649 -0.512 1
1 1217 . 15 1 1 A 111 111 GLU H H 111 8.799 8.444 0.355 1
1 1218 . 15 1 1 A 111 111 GLU HA H 111 4.194 4.597 -0.403 1
1 1223 . 15 1 1 A 111 111 GLU CA C 111 57.160 55.602 1.558 1
1 1224 . 15 1 1 A 111 111 GLU CB C 111 29.175 31.465 -2.290 1
1 1226 . 15 1 1 A 111 111 GLU N N 111 123.867 123.506 0.361 1
1 1227 . 15 1 1 A 112 112 VAL H H 112 9.093 8.861 0.232 1
1 1228 . 15 1 1 A 112 112 VAL HA H 112 4.330 3.990 0.340 1
1 1236 . 15 1 1 A 112 112 VAL CA C 112 61.529 64.240 -2.711 1
1 1237 . 15 1 1 A 112 112 VAL CB C 112 33.230 32.537 0.693 1
1 1240 . 15 1 1 A 112 112 VAL N N 112 122.642 127.691 -5.049 1
1 1241 . 15 1 1 A 113 113 ALA H H 113 7.793 7.095 0.698 1
1 1242 . 15 1 1 A 113 113 ALA HA H 113 4.770 4.697 0.073 1
1 1246 . 15 1 1 A 113 113 ALA CA C 113 52.449 51.785 0.664 1
1 1247 . 15 1 1 A 113 113 ALA CB C 113 22.400 22.893 -0.493 1
1 1248 . 15 1 1 A 113 113 ALA N N 113 121.070 118.308 2.762 1
1 1249 . 15 1 1 A 114 114 GLN H H 114 8.450 8.898 -0.448 1
1 1250 . 15 1 1 A 114 114 GLN HA H 114 5.404 5.281 0.123 1
1 1257 . 15 1 1 A 114 114 GLN CA C 114 54.830 54.430 0.400 1
1 1258 . 15 1 1 A 114 114 GLN CB C 114 32.307 32.904 -0.597 1
1 1260 . 15 1 1 A 114 114 GLN N N 114 115.851 115.723 0.128 1
1 1262 . 15 1 1 A 115 115 ARG H H 115 8.989 8.349 0.640 1
1 1263 . 15 1 1 A 115 115 ARG HA H 115 4.555 4.790 -0.235 1
1 1270 . 15 1 1 A 115 115 ARG CA C 115 56.350 55.497 0.853 1
1 1271 . 15 1 1 A 115 115 ARG CB C 115 33.730 34.575 -0.845 1
1 1274 . 15 1 1 A 115 115 ARG N N 115 122.920 121.074 1.846 1
1 1275 . 15 1 1 A 116 116 SER H H 116 8.511 9.004 -0.493 1
1 1276 . 15 1 1 A 116 116 SER HA H 116 5.756 5.082 0.674 1
1 1279 . 15 1 1 A 116 116 SER CA C 116 56.400 56.246 0.154 1
1 1280 . 15 1 1 A 116 116 SER CB C 116 65.770 65.649 0.121 1
1 1281 . 15 1 1 A 116 116 SER N N 116 119.807 117.635 2.172 1
1 1282 . 15 1 1 A 117 117 THR H H 117 8.801 8.038 0.763 1
1 1283 . 15 1 1 A 117 117 THR HA H 117 4.378 4.495 -0.117 1
1 1288 . 15 1 1 A 117 117 THR CA C 117 62.160 61.616 0.544 1
1 1289 . 15 1 1 A 117 117 THR CB C 117 70.010 69.732 0.278 1
1 1291 . 15 1 1 A 117 117 THR N N 117 116.435 112.647 3.788 1
1 1292 . 15 1 1 A 118 118 VAL H H 118 8.165 8.628 -0.463 1
1 1293 . 15 1 1 A 118 118 VAL HA H 118 4.227 4.466 -0.239 1
1 1301 . 15 1 1 A 118 118 VAL CA C 118 61.320 61.164 0.156 1
1 1302 . 15 1 1 A 118 118 VAL CB C 118 32.931 33.932 -1.001 1
1 1305 . 15 1 1 A 118 118 VAL N N 118 122.111 122.346 -0.235 1
1 1306 . 15 1 1 A 119 119 PHE H H 119 8.580 8.942 -0.362 1
1 1307 . 15 1 1 A 119 119 PHE HA H 119 4.655 4.607 0.048 1
1 1314 . 15 1 1 A 119 119 PHE CA C 119 57.520 57.667 -0.147 1
1 1315 . 15 1 1 A 119 119 PHE CB C 119 39.550 38.880 0.670 1
1 1320 . 15 1 1 A 119 119 PHE N N 119 126.006 127.672 -1.666 1
1 1321 . 15 1 1 A 120 120 LYS H H 120 8.346 8.702 -0.356 1
1 1322 . 15 1 1 A 120 120 LYS HA H 120 4.432 4.868 -0.436 1
1 1331 . 15 1 1 A 120 120 LYS CA C 120 55.740 54.452 1.288 1
1 1332 . 15 1 1 A 120 120 LYS CB C 120 33.290 35.543 -2.253 1
1 1336 . 15 1 1 A 120 120 LYS N N 120 124.095 126.633 -2.538 1
1 1337 . 15 1 1 A 121 121 THR H H 121 8.294 8.602 -0.308 1
1 1338 . 15 1 1 A 121 121 THR HA H 121 4.394 4.507 -0.113 1
1 1343 . 15 1 1 A 121 121 THR CA C 121 61.610 60.854 0.756 1
1 1344 . 15 1 1 A 121 121 THR CB C 121 69.640 70.071 -0.431 1
1 1346 . 15 1 1 A 121 121 THR N N 121 116.359 118.091 -1.732 1
1 1 . 16 1 1 A 3 3 HIS H H 3 8.528 8.645 -0.117 1
1 2 . 16 1 1 A 3 3 HIS HA H 3 4.626 4.566 0.060 1
1 5 . 16 1 1 A 3 3 HIS CA C 3 55.260 56.063 -0.803 1
1 6 . 16 1 1 A 3 3 HIS CB C 3 29.250 29.147 0.103 1
1 7 . 16 1 1 A 3 3 HIS N N 3 118.990 119.196 -0.206 1
1 8 . 16 1 1 A 4 4 HIS H H 4 8.528 7.447 1.081 1
1 9 . 16 1 1 A 4 4 HIS HA H 4 4.624 4.545 0.079 1
1 12 . 16 1 1 A 4 4 HIS CA C 4 55.277 54.263 1.014 1
1 13 . 16 1 1 A 4 4 HIS CB C 4 29.002 28.121 0.881 1
1 14 . 16 1 1 A 4 4 HIS N N 4 118.990 120.700 -1.710 1
1 15 . 16 1 1 A 5 5 HIS H H 5 8.579 8.791 -0.212 1
1 16 . 16 1 1 A 5 5 HIS HA H 5 4.737 5.230 -0.493 1
1 19 . 16 1 1 A 5 5 HIS CA C 5 55.330 54.234 1.096 1
1 20 . 16 1 1 A 5 5 HIS CB C 5 29.257 31.013 -1.756 1
1 21 . 16 1 1 A 5 5 HIS N N 5 119.720 124.693 -4.973 1
1 22 . 16 1 1 A 6 6 HIS H H 6 8.603 8.937 -0.334 1
1 23 . 16 1 1 A 6 6 HIS HA H 6 4.674 4.898 -0.224 1
1 26 . 16 1 1 A 6 6 HIS CA C 6 55.150 54.382 0.768 1
1 27 . 16 1 1 A 6 6 HIS CB C 6 27.340 34.444 -7.104 1
1 28 . 16 1 1 A 6 6 HIS N N 6 121.420 120.945 0.475 1
1 29 . 16 1 1 A 7 7 HIS H H 7 8.706 8.781 -0.075 1
1 30 . 16 1 1 A 7 7 HIS HA H 7 4.658 4.828 -0.170 1
1 33 . 16 1 1 A 7 7 HIS CA C 7 55.100 55.530 -0.430 1
1 34 . 16 1 1 A 7 7 HIS CB C 7 29.300 30.280 -0.980 1
1 35 . 16 1 1 A 7 7 HIS N N 7 121.200 118.473 2.727 1
1 36 . 16 1 1 A 8 8 HIS H H 8 8.706 9.317 -0.611 1
1 37 . 16 1 1 A 8 8 HIS HA H 8 4.706 4.840 -0.134 1
1 40 . 16 1 1 A 8 8 HIS CA C 8 55.156 56.392 -1.236 1
1 41 . 16 1 1 A 8 8 HIS CB C 8 29.396 31.376 -1.980 1
1 42 . 16 1 1 A 8 8 HIS N N 8 121.200 122.966 -1.766 1
1 43 . 16 1 1 A 9 9 SER H H 9 8.551 8.742 -0.191 1
1 44 . 16 1 1 A 9 9 SER HA H 9 4.450 5.218 -0.768 1
1 47 . 16 1 1 A 9 9 SER CA C 9 58.200 57.067 1.133 1
1 48 . 16 1 1 A 9 9 SER CB C 9 63.740 65.430 -1.690 1
1 49 . 16 1 1 A 9 9 SER N N 9 118.046 116.555 1.491 1
1 50 . 16 1 1 A 10 10 HIS H H 10 8.770 9.165 -0.395 1
1 51 . 16 1 1 A 10 10 HIS HA H 10 4.726 5.185 -0.459 1
1 54 . 16 1 1 A 10 10 HIS CA C 10 55.640 55.313 0.327 1
1 55 . 16 1 1 A 10 10 HIS CB C 10 29.172 30.911 -1.739 1
1 56 . 16 1 1 A 10 10 HIS N N 10 120.412 123.495 -3.083 1
1 57 . 16 1 1 A 11 11 MET H H 11 8.528 9.099 -0.571 1
1 58 . 16 1 1 A 11 11 MET HA H 11 4.658 5.167 -0.509 1
1 66 . 16 1 1 A 11 11 MET CA C 11 55.438 54.078 1.360 1
1 67 . 16 1 1 A 11 11 MET CB C 11 33.090 36.228 -3.138 1
1 70 . 16 1 1 A 11 11 MET N N 11 122.400 122.381 0.019 1
1 71 . 16 1 1 A 12 12 THR H H 12 8.339 8.745 -0.406 1
1 72 . 16 1 1 A 12 12 THR HA H 12 4.450 4.362 0.088 1
1 77 . 16 1 1 A 12 12 THR CA C 12 61.810 63.189 -1.379 1
1 78 . 16 1 1 A 12 12 THR CB C 12 70.450 69.739 0.711 1
1 80 . 16 1 1 A 12 12 THR N N 12 115.700 114.253 1.447 1
1 81 . 16 1 1 A 13 13 GLY H H 13 8.426 8.078 0.348 1
1 82 . 16 1 1 A 13 13 GLY HA2 H 13 4.287 4.116 0.171 1
1 83 . 16 1 1 A 13 13 GLY HA3 H 13 3.877 4.389 -0.512 1
1 84 . 16 1 1 A 13 13 GLY CA C 13 45.243 45.305 -0.062 1
1 85 . 16 1 1 A 13 13 GLY N N 13 110.872 110.269 0.603 1
1 86 . 16 1 1 A 14 14 ASN H H 14 8.374 8.712 -0.338 1
1 87 . 16 1 1 A 14 14 ASN HA H 14 4.720 5.086 -0.366 1
1 92 . 16 1 1 A 14 14 ASN CA C 14 54.200 52.399 1.801 1
1 93 . 16 1 1 A 14 14 ASN CB C 14 39.210 38.129 1.081 1
1 94 . 16 1 1 A 14 14 ASN N N 14 117.789 122.426 -4.637 1
1 96 . 16 1 1 A 15 15 VAL H H 15 7.890 8.770 -0.880 1
1 97 . 16 1 1 A 15 15 VAL HA H 15 4.843 4.864 -0.021 1
1 105 . 16 1 1 A 15 15 VAL CA C 15 61.759 59.563 2.196 1
1 106 . 16 1 1 A 15 15 VAL CB C 15 33.230 35.797 -2.567 1
1 109 . 16 1 1 A 15 15 VAL N N 15 118.720 122.527 -3.807 1
1 110 . 16 1 1 A 16 16 CYS H H 16 9.060 8.556 0.504 1
1 111 . 16 1 1 A 16 16 CYS HA H 16 4.899 5.318 -0.419 1
1 114 . 16 1 1 A 16 16 CYS CA C 16 54.620 56.714 -2.094 1
1 115 . 16 1 1 A 16 16 CYS CB C 16 30.900 31.703 -0.803 1
1 116 . 16 1 1 A 16 16 CYS N N 16 122.674 124.348 -1.674 1
1 117 . 16 1 1 A 17 17 ILE H H 17 8.845 8.970 -0.125 1
1 118 . 16 1 1 A 17 17 ILE HA H 17 4.153 4.103 0.050 1
1 128 . 16 1 1 A 17 17 ILE CA C 17 61.080 61.635 -0.555 1
1 129 . 16 1 1 A 17 17 ILE CB C 17 36.397 36.908 -0.511 1
1 133 . 16 1 1 A 17 17 ILE N N 17 122.609 124.251 -1.642 1
1 134 . 16 1 1 A 18 18 GLU H H 18 8.917 8.594 0.323 1
1 135 . 16 1 1 A 18 18 GLU HA H 18 4.230 4.105 0.125 1
1 140 . 16 1 1 A 18 18 GLU CA C 18 57.160 58.993 -1.833 1
1 141 . 16 1 1 A 18 18 GLU CB C 18 30.550 30.756 -0.206 1
1 143 . 16 1 1 A 18 18 GLU N N 18 130.894 130.258 0.636 1
1 144 . 16 1 1 A 19 19 GLU H H 19 7.853 7.843 0.010 1
1 145 . 16 1 1 A 19 19 GLU HA H 19 4.470 4.741 -0.271 1
1 150 . 16 1 1 A 19 19 GLU CA C 19 56.110 56.112 -0.002 1
1 151 . 16 1 1 A 19 19 GLU CB C 19 33.847 33.372 0.475 1
1 153 . 16 1 1 A 19 19 GLU N N 19 115.069 118.097 -3.028 1
1 154 . 16 1 1 A 20 20 ILE H H 20 8.744 8.998 -0.254 1
1 155 . 16 1 1 A 20 20 ILE HA H 20 4.080 4.656 -0.576 1
1 165 . 16 1 1 A 20 20 ILE CA C 20 60.619 60.125 0.494 1
1 166 . 16 1 1 A 20 20 ILE CB C 20 39.170 40.236 -1.066 1
1 170 . 16 1 1 A 20 20 ILE N N 20 127.309 126.300 1.009 1
1 171 . 16 1 1 A 21 21 ASP H H 21 7.468 8.292 -0.824 1
1 172 . 16 1 1 A 21 21 ASP HA H 21 3.949 4.198 -0.249 1
1 175 . 16 1 1 A 21 21 ASP CA C 21 54.970 54.597 0.373 1
1 176 . 16 1 1 A 21 21 ASP CB C 21 42.170 41.339 0.831 1
1 177 . 16 1 1 A 21 21 ASP N N 21 124.858 127.958 -3.100 1
1 178 . 16 1 1 A 22 22 VAL H H 22 8.650 8.557 0.093 1
1 179 . 16 1 1 A 22 22 VAL HA H 22 3.998 3.971 0.027 1
1 187 . 16 1 1 A 22 22 VAL CA C 22 64.445 64.396 0.049 1
1 188 . 16 1 1 A 22 22 VAL CB C 22 31.244 31.901 -0.657 1
1 191 . 16 1 1 A 22 22 VAL N N 22 130.172 126.882 3.290 1
1 192 . 16 1 1 A 23 23 ASP H H 23 7.482 7.600 -0.118 1
1 193 . 16 1 1 A 23 23 ASP HA H 23 4.711 4.595 0.116 1
1 196 . 16 1 1 A 23 23 ASP CA C 23 53.920 54.137 -0.217 1
1 197 . 16 1 1 A 23 23 ASP CB C 23 40.100 41.350 -1.250 1
1 198 . 16 1 1 A 23 23 ASP N N 23 118.547 119.722 -1.175 1
1 199 . 16 1 1 A 24 24 GLY H H 24 7.220 7.389 -0.169 1
1 200 . 16 1 1 A 24 24 GLY HA2 H 24 2.950 3.163 -0.213 1
1 201 . 16 1 1 A 24 24 GLY HA3 H 24 2.407 3.300 -0.893 1
1 202 . 16 1 1 A 24 24 GLY CA C 24 45.040 44.886 0.154 1
1 203 . 16 1 1 A 24 24 GLY N N 24 105.293 106.741 -1.448 1
1 204 . 16 1 1 A 25 25 LYS H H 25 8.757 7.877 0.880 1
1 205 . 16 1 1 A 25 25 LYS HA H 25 3.964 4.075 -0.111 1
1 214 . 16 1 1 A 25 25 LYS CA C 25 56.590 56.394 0.196 1
1 215 . 16 1 1 A 25 25 LYS CB C 25 33.660 33.470 0.190 1
1 219 . 16 1 1 A 25 25 LYS N N 25 111.753 117.689 -5.936 1
1 220 . 16 1 1 A 26 26 PHE H H 26 6.380 7.281 -0.901 1
1 221 . 16 1 1 A 26 26 PHE HA H 26 5.753 5.347 0.406 1
1 229 . 16 1 1 A 26 26 PHE CA C 26 56.370 56.356 0.014 1
1 230 . 16 1 1 A 26 26 PHE CB C 26 40.030 40.537 -0.507 1
1 236 . 16 1 1 A 26 26 PHE N N 26 110.097 115.019 -4.922 1
1 237 . 16 1 1 A 27 27 ILE H H 27 8.601 8.850 -0.249 1
1 238 . 16 1 1 A 27 27 ILE HA H 27 4.506 5.104 -0.598 1
1 248 . 16 1 1 A 27 27 ILE CA C 27 60.905 59.613 1.292 1
1 249 . 16 1 1 A 27 27 ILE CB C 27 43.249 41.506 1.743 1
1 253 . 16 1 1 A 27 27 ILE N N 27 119.676 119.841 -0.165 1
1 254 . 16 1 1 A 28 28 ARG H H 28 9.290 9.162 0.128 1
1 255 . 16 1 1 A 28 28 ARG HA H 28 5.561 5.371 0.190 1
1 262 . 16 1 1 A 28 28 ARG CA C 28 54.650 54.551 0.099 1
1 263 . 16 1 1 A 28 28 ARG CB C 28 34.180 33.267 0.913 1
1 266 . 16 1 1 A 28 28 ARG N N 28 127.516 126.336 1.180 1
1 267 . 16 1 1 A 29 29 LEU H H 29 9.502 9.118 0.384 1
1 268 . 16 1 1 A 29 29 LEU HA H 29 5.306 5.203 0.103 1
1 278 . 16 1 1 A 29 29 LEU CA C 29 54.010 53.203 0.807 1
1 279 . 16 1 1 A 29 29 LEU CB C 29 44.020 45.291 -1.271 1
1 283 . 16 1 1 A 29 29 LEU N N 29 126.696 127.855 -1.159 1
1 284 . 16 1 1 A 30 30 LYS H H 30 8.641 8.929 -0.288 1
1 285 . 16 1 1 A 30 30 LYS HA H 30 5.108 5.119 -0.011 1
1 294 . 16 1 1 A 30 30 LYS CA C 30 54.660 54.686 -0.026 1
1 295 . 16 1 1 A 30 30 LYS CB C 30 38.070 35.393 2.677 1
1 299 . 16 1 1 A 30 30 LYS N N 30 118.761 123.350 -4.589 1
1 300 . 16 1 1 A 31 31 ASN H H 31 8.397 8.869 -0.472 1
1 301 . 16 1 1 A 31 31 ASN HA H 31 5.319 4.814 0.505 1
1 306 . 16 1 1 A 31 31 ASN CA C 31 50.690 52.589 -1.899 1
1 307 . 16 1 1 A 31 31 ASN CB C 31 37.490 38.110 -0.620 1
1 308 . 16 1 1 A 31 31 ASN N N 31 123.996 125.099 -1.103 1
1 310 . 16 1 1 A 32 32 THR H H 32 8.455 8.305 0.150 1
1 311 . 16 1 1 A 32 32 THR HA H 32 4.302 4.416 -0.114 1
1 316 . 16 1 1 A 32 32 THR CA C 32 61.492 63.585 -2.093 1
1 317 . 16 1 1 A 32 32 THR CB C 32 68.110 69.036 -0.926 1
1 319 . 16 1 1 A 32 32 THR N N 32 115.755 122.150 -6.395 1
1 320 . 16 1 1 A 33 33 SER H H 33 8.487 7.452 1.035 1
1 321 . 16 1 1 A 33 33 SER HA H 33 4.793 4.320 0.473 1
1 324 . 16 1 1 A 33 33 SER CA C 33 57.500 60.008 -2.508 1
1 325 . 16 1 1 A 33 33 SER CB C 33 66.510 63.571 2.939 1
1 326 . 16 1 1 A 33 33 SER N N 33 120.037 117.767 2.270 1
1 327 . 16 1 1 A 34 34 GLU H H 34 8.355 8.782 -0.427 1
1 328 . 16 1 1 A 34 34 GLU HA H 34 4.335 4.463 -0.128 1
1 333 . 16 1 1 A 34 34 GLU CA C 34 55.840 56.347 -0.507 1
1 334 . 16 1 1 A 34 34 GLU CB C 34 28.930 27.952 0.978 1
1 336 . 16 1 1 A 34 34 GLU N N 34 116.545 125.656 -9.111 1
1 337 . 16 1 1 A 35 35 GLN H H 35 8.634 7.881 0.753 1
1 338 . 16 1 1 A 35 35 GLN HA H 35 4.664 4.538 0.126 1
1 345 . 16 1 1 A 35 35 GLN CA C 35 53.740 55.306 -1.566 1
1 346 . 16 1 1 A 35 35 GLN CB C 35 31.696 32.592 -0.896 1
1 348 . 16 1 1 A 35 35 GLN N N 35 120.013 121.993 -1.980 1
1 350 . 16 1 1 A 36 36 ASP H H 36 8.859 8.611 0.248 1
1 351 . 16 1 1 A 36 36 ASP HA H 36 4.050 4.913 -0.863 1
1 354 . 16 1 1 A 36 36 ASP CA C 36 54.640 54.396 0.244 1
1 355 . 16 1 1 A 36 36 ASP CB C 36 40.120 40.406 -0.286 1
1 356 . 16 1 1 A 36 36 ASP N N 36 124.552 122.513 2.039 1
1 357 . 16 1 1 A 37 37 GLN H H 37 8.141 8.648 -0.507 1
1 358 . 16 1 1 A 37 37 GLN HA H 37 4.786 4.718 0.068 1
1 365 . 16 1 1 A 37 37 GLN CA C 37 50.858 52.162 -1.304 1
1 366 . 16 1 1 A 37 37 GLN CB C 37 31.860 29.482 2.378 1
1 368 . 16 1 1 A 37 37 GLN N N 37 120.015 123.584 -3.569 1
1 370 . 16 1 1 A 38 38 PRO HA H 38 4.367 4.587 -0.220 1
1 377 . 16 1 1 A 38 38 PRO CA C 38 63.330 62.743 0.587 1
1 378 . 16 1 1 A 38 38 PRO CB C 38 31.750 32.058 -0.308 1
1 381 . 16 1 1 A 39 39 MET H H 39 8.392 8.898 -0.506 1
1 382 . 16 1 1 A 39 39 MET HA H 39 2.792 3.711 -0.919 1
1 390 . 16 1 1 A 39 39 MET CA C 39 53.780 57.023 -3.243 1
1 391 . 16 1 1 A 39 39 MET CB C 39 34.410 33.261 1.149 1
1 394 . 16 1 1 A 39 39 MET N N 39 124.427 123.812 0.615 1
1 395 . 16 1 1 A 40 40 GLY H H 40 7.940 7.809 0.131 1
1 396 . 16 1 1 A 40 40 GLY HA2 H 40 4.154 3.807 0.347 1
1 397 . 16 1 1 A 40 40 GLY HA3 H 40 3.763 3.828 -0.065 1
1 398 . 16 1 1 A 40 40 GLY CA C 40 48.114 47.178 0.936 1
1 399 . 16 1 1 A 40 40 GLY N N 40 108.664 107.438 1.226 1
1 400 . 16 1 1 A 41 41 GLY H H 41 7.959 8.499 -0.540 1
1 401 . 16 1 1 A 41 41 GLY HA2 H 41 4.323 4.128 0.195 1
1 402 . 16 1 1 A 41 41 GLY HA3 H 41 3.769 4.155 -0.386 1
1 403 . 16 1 1 A 41 41 GLY CA C 41 46.020 45.858 0.162 1
1 404 . 16 1 1 A 41 41 GLY N N 41 114.027 112.834 1.193 1
1 405 . 16 1 1 A 42 42 TRP H H 42 8.667 8.375 0.292 1
1 406 . 16 1 1 A 42 42 TRP HA H 42 4.408 4.684 -0.276 1
1 415 . 16 1 1 A 42 42 TRP CA C 42 58.925 57.463 1.462 1
1 416 . 16 1 1 A 42 42 TRP CB C 42 28.120 30.350 -2.230 1
1 422 . 16 1 1 A 42 42 TRP N N 42 122.097 121.047 1.050 1
1 424 . 16 1 1 A 43 43 GLU H H 43 8.740 8.938 -0.198 1
1 425 . 16 1 1 A 43 43 GLU HA H 43 5.462 5.196 0.266 1
1 430 . 16 1 1 A 43 43 GLU CA C 43 54.410 54.944 -0.534 1
1 431 . 16 1 1 A 43 43 GLU CB C 43 33.980 33.346 0.634 1
1 433 . 16 1 1 A 43 43 GLU N N 43 120.300 121.044 -0.744 1
1 434 . 16 1 1 A 44 44 MET H H 44 9.658 9.170 0.488 1
1 435 . 16 1 1 A 44 44 MET HA H 44 5.488 5.346 0.142 1
1 443 . 16 1 1 A 44 44 MET CA C 44 53.360 54.081 -0.721 1
1 444 . 16 1 1 A 44 44 MET CB C 44 37.490 34.770 2.720 1
1 447 . 16 1 1 A 44 44 MET N N 44 126.477 127.086 -0.609 1
1 448 . 16 1 1 A 45 45 ILE H H 45 9.658 9.292 0.366 1
1 449 . 16 1 1 A 45 45 ILE HA H 45 4.781 4.945 -0.164 1
1 459 . 16 1 1 A 45 45 ILE CA C 45 60.413 60.169 0.244 1
1 460 . 16 1 1 A 45 45 ILE CB C 45 40.804 39.550 1.254 1
1 464 . 16 1 1 A 45 45 ILE N N 45 127.329 127.339 -0.010 1
1 465 . 16 1 1 A 46 46 ARG H H 46 9.217 9.258 -0.041 1
1 466 . 16 1 1 A 46 46 ARG HA H 46 5.083 5.119 -0.036 1
1 474 . 16 1 1 A 46 46 ARG CA C 46 53.760 54.490 -0.730 1
1 475 . 16 1 1 A 46 46 ARG CB C 46 33.559 33.599 -0.040 1
1 478 . 16 1 1 A 46 46 ARG N N 46 126.837 128.716 -1.879 1
1 480 . 16 1 1 A 47 47 LYS H H 47 9.876 8.983 0.893 1
1 481 . 16 1 1 A 47 47 LYS HA H 47 5.257 5.349 -0.092 1
1 490 . 16 1 1 A 47 47 LYS CA C 47 55.260 54.840 0.420 1
1 491 . 16 1 1 A 47 47 LYS CB C 47 34.860 35.520 -0.660 1
1 495 . 16 1 1 A 47 47 LYS N N 47 132.271 126.081 6.190 1
1 496 . 16 1 1 A 48 48 ILE H H 48 7.909 8.715 -0.806 1
1 497 . 16 1 1 A 48 48 ILE HA H 48 4.360 4.389 -0.029 1
1 507 . 16 1 1 A 48 48 ILE CA C 48 61.132 62.262 -1.130 1
1 508 . 16 1 1 A 48 48 ILE CB C 48 40.316 41.386 -1.070 1
1 512 . 16 1 1 A 48 48 ILE N N 48 125.793 123.845 1.948 1
1 513 . 16 1 1 A 49 49 GLY H H 49 9.576 7.709 1.867 1
1 514 . 16 1 1 A 49 49 GLY HA2 H 49 4.021 4.150 -0.129 1
1 515 . 16 1 1 A 49 49 GLY HA3 H 49 3.730 4.152 -0.422 1
1 516 . 16 1 1 A 49 49 GLY CA C 49 46.910 45.410 1.500 1
1 517 . 16 1 1 A 49 49 GLY N N 49 120.665 109.596 11.069 1
1 518 . 16 1 1 A 50 50 ASP H H 50 8.935 8.697 0.238 1
1 519 . 16 1 1 A 50 50 ASP HA H 50 4.777 4.201 0.576 1
1 522 . 16 1 1 A 50 50 ASP CA C 50 54.000 55.652 -1.652 1
1 523 . 16 1 1 A 50 50 ASP CB C 50 40.520 39.352 1.168 1
1 524 . 16 1 1 A 50 50 ASP N N 50 126.343 124.158 2.185 1
1 525 . 16 1 1 A 51 51 THR H H 51 8.253 7.819 0.434 1
1 526 . 16 1 1 A 51 51 THR HA H 51 4.638 4.699 -0.061 1
1 531 . 16 1 1 A 51 51 THR CA C 51 61.690 60.238 1.452 1
1 532 . 16 1 1 A 51 51 THR CB C 51 71.080 70.611 0.469 1
1 534 . 16 1 1 A 51 51 THR N N 51 115.167 112.707 2.460 1
1 535 . 16 1 1 A 52 52 SER H H 52 8.710 8.481 0.229 1
1 536 . 16 1 1 A 52 52 SER HA H 52 5.318 5.034 0.284 1
1 539 . 16 1 1 A 52 52 SER CA C 52 57.290 57.233 0.057 1
1 540 . 16 1 1 A 52 52 SER CB C 52 64.730 63.073 1.657 1
1 541 . 16 1 1 A 52 52 SER N N 52 121.442 120.492 0.950 1
1 542 . 16 1 1 A 53 53 VAL H H 53 8.448 7.170 1.278 1
1 543 . 16 1 1 A 53 53 VAL HA H 53 4.650 4.020 0.630 1
1 551 . 16 1 1 A 53 53 VAL CA C 53 60.449 63.264 -2.815 1
1 552 . 16 1 1 A 53 53 VAL CB C 53 35.105 31.905 3.200 1
1 555 . 16 1 1 A 53 53 VAL N N 53 121.387 123.168 -1.781 1
1 556 . 16 1 1 A 54 54 SER H H 54 8.761 8.808 -0.047 1
1 557 . 16 1 1 A 54 54 SER HA H 54 5.760 5.928 -0.168 1
1 560 . 16 1 1 A 54 54 SER CA C 54 57.180 55.783 1.397 1
1 561 . 16 1 1 A 54 54 SER CB C 54 65.910 66.331 -0.421 1
1 562 . 16 1 1 A 54 54 SER N N 54 118.025 121.407 -3.382 1
1 563 . 16 1 1 A 55 55 TYR H H 55 9.340 8.694 0.646 1
1 564 . 16 1 1 A 55 55 TYR HA H 55 4.175 4.875 -0.700 1
1 571 . 16 1 1 A 55 55 TYR CA C 55 57.100 57.256 -0.156 1
1 572 . 16 1 1 A 55 55 TYR CB C 55 39.870 40.569 -0.699 1
1 577 . 16 1 1 A 55 55 TYR N N 55 128.024 122.361 5.663 1
1 578 . 16 1 1 A 56 56 LYS H H 56 7.551 8.236 -0.685 1
1 579 . 16 1 1 A 56 56 LYS HA H 56 4.890 4.527 0.363 1
1 588 . 16 1 1 A 56 56 LYS CA C 56 54.117 56.230 -2.113 1
1 589 . 16 1 1 A 56 56 LYS CB C 56 33.610 32.748 0.862 1
1 593 . 16 1 1 A 56 56 LYS N N 56 127.706 129.291 -1.585 1
1 594 . 16 1 1 A 57 57 TYR H H 57 8.247 8.842 -0.595 1
1 595 . 16 1 1 A 57 57 TYR HA H 57 3.996 4.382 -0.386 1
1 602 . 16 1 1 A 57 57 TYR CA C 57 59.032 58.628 0.404 1
1 603 . 16 1 1 A 57 57 TYR CB C 57 39.390 39.200 0.190 1
1 608 . 16 1 1 A 57 57 TYR N N 57 124.225 126.877 -2.652 1
1 609 . 16 1 1 A 58 58 THR H H 58 8.722 8.568 0.154 1
1 610 . 16 1 1 A 58 58 THR HA H 58 4.259 5.000 -0.741 1
1 615 . 16 1 1 A 58 58 THR CA C 58 62.250 59.712 2.538 1
1 616 . 16 1 1 A 58 58 THR CB C 58 69.280 71.094 -1.814 1
1 618 . 16 1 1 A 58 58 THR N N 58 116.096 115.196 0.900 1
1 619 . 16 1 1 A 59 59 SER H H 59 8.402 8.620 -0.218 1
1 620 . 16 1 1 A 59 59 SER HA H 59 4.050 4.420 -0.370 1
1 623 . 16 1 1 A 59 59 SER CA C 59 61.680 57.435 4.245 1
1 624 . 16 1 1 A 59 59 SER CB C 59 63.210 62.879 0.331 1
1 625 . 16 1 1 A 59 59 SER N N 59 114.556 123.993 -9.437 1
1 626 . 16 1 1 A 60 60 ARG H H 60 8.176 7.794 0.382 1
1 627 . 16 1 1 A 60 60 ARG HA H 60 4.489 4.157 0.332 1
1 634 . 16 1 1 A 60 60 ARG CA C 60 54.960 58.049 -3.089 1
1 635 . 16 1 1 A 60 60 ARG CB C 60 29.846 30.188 -0.342 1
1 638 . 16 1 1 A 60 60 ARG N N 60 118.244 121.932 -3.688 1
1 639 . 16 1 1 A 61 61 TYR H H 61 7.617 7.455 0.162 1
1 640 . 16 1 1 A 61 61 TYR HA H 61 3.897 5.215 -1.318 1
1 647 . 16 1 1 A 61 61 TYR CA C 61 61.930 56.031 5.899 1
1 648 . 16 1 1 A 61 61 TYR CB C 61 38.670 41.209 -2.539 1
1 653 . 16 1 1 A 61 61 TYR N N 61 122.301 115.615 6.686 1
1 654 . 16 1 1 A 62 62 VAL H H 62 7.363 8.844 -1.481 1
1 655 . 16 1 1 A 62 62 VAL HA H 62 3.893 4.302 -0.409 1
1 663 . 16 1 1 A 62 62 VAL CA C 62 60.590 62.484 -1.894 1
1 664 . 16 1 1 A 62 62 VAL CB C 62 35.270 32.321 2.949 1
1 667 . 16 1 1 A 62 62 VAL N N 62 129.952 121.576 8.376 1
1 668 . 16 1 1 A 63 63 LEU H H 63 7.852 8.476 -0.624 1
1 669 . 16 1 1 A 63 63 LEU HA H 63 4.558 4.541 0.017 1
1 679 . 16 1 1 A 63 63 LEU CA C 63 51.980 55.686 -3.706 1
1 680 . 16 1 1 A 63 63 LEU CB C 63 42.600 43.151 -0.551 1
1 684 . 16 1 1 A 63 63 LEU N N 63 128.635 130.622 -1.987 1
1 685 . 16 1 1 A 64 64 LYS H H 64 8.770 8.597 0.173 1
1 686 . 16 1 1 A 64 64 LYS HA H 64 3.722 4.337 -0.615 1
1 695 . 16 1 1 A 64 64 LYS CA C 64 57.360 56.252 1.108 1
1 696 . 16 1 1 A 64 64 LYS CB C 64 32.381 33.122 -0.741 1
1 700 . 16 1 1 A 64 64 LYS N N 64 130.633 125.337 5.296 1
1 701 . 16 1 1 A 65 65 ALA H H 65 8.628 8.508 0.120 1
1 702 . 16 1 1 A 65 65 ALA HA H 65 3.557 4.063 -0.506 1
1 706 . 16 1 1 A 65 65 ALA CA C 65 53.700 53.868 -0.168 1
1 707 . 16 1 1 A 65 65 ALA CB C 65 18.660 18.351 0.309 1
1 708 . 16 1 1 A 65 65 ALA N N 65 123.214 125.198 -1.984 1
1 709 . 16 1 1 A 66 66 GLY H H 66 7.505 8.348 -0.843 1
1 710 . 16 1 1 A 66 66 GLY HA2 H 66 4.020 3.834 0.186 1
1 711 . 16 1 1 A 66 66 GLY HA3 H 66 4.020 3.835 0.185 1
1 712 . 16 1 1 A 66 66 GLY CA C 66 46.864 46.042 0.822 1
1 713 . 16 1 1 A 66 66 GLY N N 66 112.913 110.593 2.320 1
1 714 . 16 1 1 A 67 67 GLN H H 67 8.136 7.459 0.677 1
1 715 . 16 1 1 A 67 67 GLN HA H 67 4.436 4.437 -0.001 1
1 722 . 16 1 1 A 67 67 GLN CA C 67 55.029 55.329 -0.300 1
1 723 . 16 1 1 A 67 67 GLN CB C 67 29.700 29.821 -0.121 1
1 725 . 16 1 1 A 67 67 GLN N N 67 118.759 121.328 -2.569 1
1 727 . 16 1 1 A 68 68 THR H H 68 8.066 8.532 -0.466 1
1 728 . 16 1 1 A 68 68 THR HA H 68 5.414 5.080 0.334 1
1 733 . 16 1 1 A 68 68 THR CA C 68 60.050 60.935 -0.885 1
1 734 . 16 1 1 A 68 68 THR CB C 68 72.052 69.936 2.116 1
1 736 . 16 1 1 A 68 68 THR N N 68 111.842 117.073 -5.231 1
1 737 . 16 1 1 A 69 69 VAL H H 69 8.780 8.986 -0.206 1
1 738 . 16 1 1 A 69 69 VAL HA H 69 4.989 4.753 0.236 1
1 746 . 16 1 1 A 69 69 VAL CA C 69 59.265 60.001 -0.736 1
1 747 . 16 1 1 A 69 69 VAL CB C 69 33.600 34.000 -0.400 1
1 750 . 16 1 1 A 69 69 VAL N N 69 120.958 127.181 -6.223 1
1 751 . 16 1 1 A 70 70 THR H H 70 8.660 9.277 -0.617 1
1 752 . 16 1 1 A 70 70 THR HA H 70 4.618 5.049 -0.431 1
1 757 . 16 1 1 A 70 70 THR CA C 70 61.730 61.951 -0.221 1
1 758 . 16 1 1 A 70 70 THR CB C 70 69.550 69.437 0.113 1
1 760 . 16 1 1 A 70 70 THR N N 70 125.533 123.364 2.169 1
1 761 . 16 1 1 A 71 71 ILE H H 71 8.994 9.284 -0.290 1
1 762 . 16 1 1 A 71 71 ILE HA H 71 4.369 4.887 -0.518 1
1 772 . 16 1 1 A 71 71 ILE CA C 71 59.162 61.201 -2.039 1
1 773 . 16 1 1 A 71 71 ILE CB C 71 36.826 37.705 -0.879 1
1 777 . 16 1 1 A 71 71 ILE N N 71 127.838 127.421 0.417 1
1 778 . 16 1 1 A 72 72 TRP H H 72 9.270 9.264 0.006 1
1 779 . 16 1 1 A 72 72 TRP HA H 72 5.167 5.110 0.057 1
1 788 . 16 1 1 A 72 72 TRP CA C 72 56.180 57.641 -1.461 1
1 789 . 16 1 1 A 72 72 TRP CB C 72 31.490 30.599 0.891 1
1 795 . 16 1 1 A 72 72 TRP N N 72 127.112 129.516 -2.404 1
1 797 . 16 1 1 A 73 73 ALA H H 73 9.010 8.773 0.237 1
1 798 . 16 1 1 A 73 73 ALA HA H 73 4.617 4.866 -0.249 1
1 802 . 16 1 1 A 73 73 ALA CA C 73 52.110 50.101 2.009 1
1 803 . 16 1 1 A 73 73 ALA CB C 73 19.070 21.400 -2.330 1
1 804 . 16 1 1 A 73 73 ALA N N 73 122.140 124.497 -2.357 1
1 805 . 16 1 1 A 74 74 ALA H H 74 9.002 9.147 -0.145 1
1 806 . 16 1 1 A 74 74 ALA HA H 74 4.042 4.074 -0.032 1
1 810 . 16 1 1 A 74 74 ALA CA C 74 54.650 54.917 -0.267 1
1 811 . 16 1 1 A 74 74 ALA CB C 74 18.070 18.283 -0.213 1
1 812 . 16 1 1 A 74 74 ALA N N 74 123.213 120.903 2.310 1
1 813 . 16 1 1 A 75 75 ASN H H 75 8.162 7.969 0.193 1
1 814 . 16 1 1 A 75 75 ASN HA H 75 5.015 4.990 0.025 1
1 819 . 16 1 1 A 75 75 ASN CA C 75 51.650 53.342 -1.692 1
1 820 . 16 1 1 A 75 75 ASN CB C 75 36.590 39.101 -2.511 1
1 821 . 16 1 1 A 75 75 ASN N N 75 112.259 114.958 -2.699 1
1 823 . 16 1 1 A 76 76 ALA H H 76 7.605 7.665 -0.060 1
1 824 . 16 1 1 A 76 76 ALA HA H 76 4.281 4.427 -0.146 1
1 828 . 16 1 1 A 76 76 ALA CA C 76 53.203 53.024 0.179 1
1 829 . 16 1 1 A 76 76 ALA CB C 76 20.210 19.552 0.658 1
1 830 . 16 1 1 A 76 76 ALA N N 76 120.777 123.122 -2.345 1
1 831 . 16 1 1 A 77 77 GLY H H 77 8.449 8.148 0.301 1
1 832 . 16 1 1 A 77 77 GLY HA2 H 77 3.960 3.914 0.046 1
1 833 . 16 1 1 A 77 77 GLY HA3 H 77 3.537 3.928 -0.391 1
1 834 . 16 1 1 A 77 77 GLY CA C 77 45.410 45.303 0.107 1
1 835 . 16 1 1 A 77 77 GLY N N 77 107.064 107.467 -0.403 1
1 836 . 16 1 1 A 78 78 VAL H H 78 7.286 7.539 -0.253 1
1 837 . 16 1 1 A 78 78 VAL HA H 78 3.804 4.082 -0.278 1
1 845 . 16 1 1 A 78 78 VAL CA C 78 60.736 61.617 -0.881 1
1 846 . 16 1 1 A 78 78 VAL CB C 78 33.590 32.832 0.758 1
1 849 . 16 1 1 A 78 78 VAL N N 78 120.566 118.958 1.608 1
1 850 . 16 1 1 A 79 79 THR H H 79 8.148 8.420 -0.272 1
1 851 . 16 1 1 A 79 79 THR HA H 79 4.145 4.489 -0.344 1
1 856 . 16 1 1 A 79 79 THR CA C 79 61.395 60.728 0.667 1
1 857 . 16 1 1 A 79 79 THR CB C 79 69.620 70.989 -1.369 1
1 859 . 16 1 1 A 79 79 THR N N 79 121.617 113.514 8.103 1
1 860 . 16 1 1 A 80 80 ALA H H 80 8.593 8.574 0.019 1
1 861 . 16 1 1 A 80 80 ALA HA H 80 3.703 4.227 -0.524 1
1 865 . 16 1 1 A 80 80 ALA CA C 80 53.410 53.324 0.086 1
1 866 . 16 1 1 A 80 80 ALA CB C 80 19.180 18.924 0.256 1
1 867 . 16 1 1 A 80 80 ALA N N 80 126.311 123.820 2.491 1
1 868 . 16 1 1 A 81 81 SER H H 81 9.101 7.637 1.464 1
1 869 . 16 1 1 A 81 81 SER HA H 81 4.747 4.829 -0.082 1
1 872 . 16 1 1 A 81 81 SER CA C 81 55.046 55.845 -0.799 1
1 873 . 16 1 1 A 81 81 SER CB C 81 62.680 63.697 -1.017 1
1 874 . 16 1 1 A 81 81 SER N N 81 114.816 113.729 1.087 1
1 875 . 16 1 1 A 82 82 PRO HA H 82 4.328 4.249 0.079 1
1 882 . 16 1 1 A 82 82 PRO CA C 82 62.158 65.215 -3.057 1
1 883 . 16 1 1 A 82 82 PRO CB C 82 30.480 31.695 -1.215 1
1 886 . 16 1 1 A 83 83 PRO HA H 83 4.821 4.484 0.337 1
1 893 . 16 1 1 A 83 83 PRO CA C 83 64.384 63.750 0.634 1
1 894 . 16 1 1 A 83 83 PRO CB C 83 34.750 32.950 1.800 1
1 897 . 16 1 1 A 84 84 THR H H 84 8.007 7.896 0.111 1
1 898 . 16 1 1 A 84 84 THR HA H 84 4.567 3.833 0.734 1
1 903 . 16 1 1 A 84 84 THR CA C 84 64.770 65.049 -0.279 1
1 904 . 16 1 1 A 84 84 THR CB C 84 69.370 68.322 1.048 1
1 906 . 16 1 1 A 84 84 THR N N 84 114.629 111.421 3.208 1
1 907 . 16 1 1 A 85 85 ASP H H 85 7.952 7.822 0.130 1
1 908 . 16 1 1 A 85 85 ASP HA H 85 5.950 5.204 0.746 1
1 911 . 16 1 1 A 85 85 ASP CA C 85 54.110 53.135 0.975 1
1 912 . 16 1 1 A 85 85 ASP CB C 85 43.510 43.129 0.381 1
1 913 . 16 1 1 A 85 85 ASP N N 85 124.539 120.164 4.375 1
1 914 . 16 1 1 A 86 86 LEU H H 86 9.271 8.604 0.667 1
1 915 . 16 1 1 A 86 86 LEU HA H 86 4.953 5.185 -0.232 1
1 925 . 16 1 1 A 86 86 LEU CA C 86 52.230 53.689 -1.459 1
1 926 . 16 1 1 A 86 86 LEU CB C 86 44.070 45.673 -1.603 1
1 930 . 16 1 1 A 86 86 LEU N N 86 124.265 119.615 4.650 1
1 931 . 16 1 1 A 87 87 ILE H H 87 8.691 9.036 -0.345 1
1 932 . 16 1 1 A 87 87 ILE HA H 87 4.802 4.873 -0.071 1
1 942 . 16 1 1 A 87 87 ILE CA C 87 58.694 60.361 -1.667 1
1 943 . 16 1 1 A 87 87 ILE CB C 87 37.945 38.538 -0.593 1
1 947 . 16 1 1 A 87 87 ILE N N 87 119.475 125.035 -5.560 1
1 948 . 16 1 1 A 88 88 TRP H H 88 9.755 9.293 0.462 1
1 949 . 16 1 1 A 88 88 TRP HA H 88 4.918 4.476 0.442 1
1 958 . 16 1 1 A 88 88 TRP CA C 88 54.900 55.794 -0.894 1
1 959 . 16 1 1 A 88 88 TRP CB C 88 27.270 28.604 -1.334 1
1 965 . 16 1 1 A 88 88 TRP N N 88 132.610 129.983 2.627 1
1 967 . 16 1 1 A 89 89 LYS H H 89 8.282 8.395 -0.113 1
1 968 . 16 1 1 A 89 89 LYS HA H 89 3.996 4.228 -0.232 1
1 977 . 16 1 1 A 89 89 LYS CA C 89 58.847 58.928 -0.081 1
1 978 . 16 1 1 A 89 89 LYS CB C 89 32.360 32.187 0.173 1
1 982 . 16 1 1 A 89 89 LYS N N 89 125.513 126.747 -1.234 1
1 983 . 16 1 1 A 90 90 ASN H H 90 8.810 8.197 0.613 1
1 984 . 16 1 1 A 90 90 ASN HA H 90 4.434 4.652 -0.218 1
1 989 . 16 1 1 A 90 90 ASN CA C 90 54.010 54.850 -0.840 1
1 990 . 16 1 1 A 90 90 ASN CB C 90 37.770 38.367 -0.597 1
1 991 . 16 1 1 A 90 90 ASN N N 90 114.946 115.618 -0.672 1
1 993 . 16 1 1 A 91 91 GLN H H 91 7.546 6.843 0.703 1
1 994 . 16 1 1 A 91 91 GLN HA H 91 4.412 4.674 -0.262 1
1 1001 . 16 1 1 A 91 91 GLN CA C 91 53.520 54.593 -1.073 1
1 1002 . 16 1 1 A 91 91 GLN CB C 91 28.470 31.647 -3.177 1
1 1004 . 16 1 1 A 91 91 GLN N N 91 117.746 118.206 -0.460 1
1 1006 . 16 1 1 A 92 92 ASN H H 92 8.451 8.555 -0.104 1
1 1007 . 16 1 1 A 92 92 ASN HA H 92 4.876 5.039 -0.163 1
1 1012 . 16 1 1 A 92 92 ASN CA C 92 52.080 52.375 -0.295 1
1 1013 . 16 1 1 A 92 92 ASN CB C 92 39.400 39.889 -0.489 1
1 1014 . 16 1 1 A 92 92 ASN N N 92 123.697 124.186 -0.489 1
1 1016 . 16 1 1 A 93 93 SER H H 93 9.337 8.548 0.789 1
1 1017 . 16 1 1 A 93 93 SER HA H 93 3.977 4.459 -0.482 1
1 1020 . 16 1 1 A 93 93 SER CA C 93 58.940 58.540 0.400 1
1 1021 . 16 1 1 A 93 93 SER CB C 93 62.940 63.407 -0.467 1
1 1022 . 16 1 1 A 93 93 SER N N 93 117.010 114.154 2.856 1
1 1023 . 16 1 1 A 94 94 TRP H H 94 7.857 7.835 0.022 1
1 1024 . 16 1 1 A 94 94 TRP HA H 94 4.905 5.030 -0.125 1
1 1033 . 16 1 1 A 94 94 TRP CA C 94 56.770 56.990 -0.220 1
1 1034 . 16 1 1 A 94 94 TRP CB C 94 27.900 29.866 -1.966 1
1 1039 . 16 1 1 A 94 94 TRP N N 94 120.449 122.719 -2.270 1
1 1041 . 16 1 1 A 95 95 GLY H H 95 7.795 7.664 0.131 1
1 1042 . 16 1 1 A 95 95 GLY HA2 H 95 3.953 3.838 0.115 1
1 1043 . 16 1 1 A 95 95 GLY HA3 H 95 3.763 3.924 -0.161 1
1 1044 . 16 1 1 A 95 95 GLY CA C 95 45.487 45.451 0.036 1
1 1045 . 16 1 1 A 95 95 GLY N N 95 109.481 109.884 -0.403 1
1 1046 . 16 1 1 A 96 96 THR H H 96 8.028 8.349 -0.321 1
1 1047 . 16 1 1 A 96 96 THR HA H 96 4.696 4.189 0.507 1
1 1052 . 16 1 1 A 96 96 THR CA C 96 60.880 64.891 -4.011 1
1 1053 . 16 1 1 A 96 96 THR CB C 96 70.040 66.623 3.417 1
1 1055 . 16 1 1 A 96 96 THR N N 96 112.538 110.177 2.361 1
1 1056 . 16 1 1 A 97 97 GLY H H 97 8.443 8.235 0.208 1
1 1057 . 16 1 1 A 97 97 GLY HA2 H 97 3.482 3.881 -0.399 1
1 1058 . 16 1 1 A 97 97 GLY HA3 H 97 3.862 3.950 -0.088 1
1 1059 . 16 1 1 A 97 97 GLY CA C 97 45.945 46.788 -0.843 1
1 1060 . 16 1 1 A 97 97 GLY N N 97 111.464 108.426 3.038 1
1 1061 . 16 1 1 A 98 98 GLU H H 98 8.010 7.655 0.355 1
1 1062 . 16 1 1 A 98 98 GLU HA H 98 4.471 4.404 0.067 1
1 1067 . 16 1 1 A 98 98 GLU CA C 98 54.730 56.260 -1.530 1
1 1068 . 16 1 1 A 98 98 GLU CB C 98 30.719 29.371 1.348 1
1 1070 . 16 1 1 A 98 98 GLU N N 98 118.563 118.134 0.429 1
1 1071 . 16 1 1 A 99 99 ASP H H 99 8.680 7.984 0.696 1
1 1072 . 16 1 1 A 99 99 ASP HA H 99 4.612 4.640 -0.028 1
1 1075 . 16 1 1 A 99 99 ASP CA C 99 54.451 54.949 -0.498 1
1 1076 . 16 1 1 A 99 99 ASP CB C 99 39.540 39.323 0.217 1
1 1077 . 16 1 1 A 99 99 ASP N N 99 122.219 119.166 3.053 1
1 1078 . 16 1 1 A 100 100 VAL H H 100 8.215 8.065 0.150 1
1 1079 . 16 1 1 A 100 100 VAL HA H 100 4.495 4.445 0.050 1
1 1087 . 16 1 1 A 100 100 VAL CA C 100 60.920 62.152 -1.232 1
1 1088 . 16 1 1 A 100 100 VAL CB C 100 34.150 32.054 2.096 1
1 1091 . 16 1 1 A 100 100 VAL N N 100 123.901 121.534 2.367 1
1 1092 . 16 1 1 A 101 101 LYS H H 101 8.600 8.714 -0.114 1
1 1093 . 16 1 1 A 101 101 LYS HA H 101 5.112 4.860 0.252 1
1 1102 . 16 1 1 A 101 101 LYS CA C 101 54.718 55.324 -0.606 1
1 1103 . 16 1 1 A 101 101 LYS CB C 101 35.326 34.344 0.982 1
1 1107 . 16 1 1 A 101 101 LYS N N 101 126.635 130.263 -3.628 1
1 1108 . 16 1 1 A 102 102 VAL H H 102 9.209 9.098 0.111 1
1 1109 . 16 1 1 A 102 102 VAL HA H 102 5.405 4.774 0.631 1
1 1117 . 16 1 1 A 102 102 VAL CA C 102 59.950 61.628 -1.678 1
1 1118 . 16 1 1 A 102 102 VAL CB C 102 34.420 33.193 1.227 1
1 1121 . 16 1 1 A 102 102 VAL N N 102 125.573 127.050 -1.477 1
1 1122 . 16 1 1 A 103 103 ILE H H 103 8.968 9.632 -0.664 1
1 1123 . 16 1 1 A 103 103 ILE HA H 103 4.671 4.857 -0.186 1
1 1133 . 16 1 1 A 103 103 ILE CA C 103 59.790 59.590 0.200 1
1 1134 . 16 1 1 A 103 103 ILE CB C 103 42.522 39.264 3.258 1
1 1138 . 16 1 1 A 103 103 ILE N N 103 125.593 128.710 -3.117 1
1 1139 . 16 1 1 A 104 104 LEU H H 104 9.017 9.043 -0.026 1
1 1140 . 16 1 1 A 104 104 LEU HA H 104 5.361 5.083 0.278 1
1 1150 . 16 1 1 A 104 104 LEU CA C 104 52.800 53.849 -1.049 1
1 1151 . 16 1 1 A 104 104 LEU CB C 104 46.200 42.656 3.544 1
1 1155 . 16 1 1 A 104 104 LEU N N 104 127.791 128.655 -0.864 1
1 1156 . 16 1 1 A 105 105 LYS H H 105 9.674 8.444 1.230 1
1 1157 . 16 1 1 A 105 105 LYS HA H 105 5.194 4.858 0.336 1
1 1166 . 16 1 1 A 105 105 LYS CA C 105 53.780 54.274 -0.494 1
1 1167 . 16 1 1 A 105 105 LYS CB C 105 36.330 35.637 0.693 1
1 1171 . 16 1 1 A 105 105 LYS N N 105 126.536 124.127 2.409 1
1 1172 . 16 1 1 A 106 106 ASN H H 106 7.774 8.646 -0.872 1
1 1173 . 16 1 1 A 106 106 ASN HA H 106 2.714 3.890 -1.176 1
1 1178 . 16 1 1 A 106 106 ASN CA C 106 49.530 52.699 -3.169 1
1 1179 . 16 1 1 A 106 106 ASN CB C 106 36.940 38.964 -2.024 1
1 1180 . 16 1 1 A 106 106 ASN N N 106 116.550 120.783 -4.233 1
1 1182 . 16 1 1 A 107 107 SER H H 107 6.988 8.617 -1.629 1
1 1183 . 16 1 1 A 107 107 SER HA H 107 4.092 4.147 -0.055 1
1 1186 . 16 1 1 A 107 107 SER CA C 107 60.490 61.200 -0.710 1
1 1187 . 16 1 1 A 107 107 SER CB C 107 62.510 62.880 -0.370 1
1 1188 . 16 1 1 A 107 107 SER N N 107 112.400 115.203 -2.803 1
1 1189 . 16 1 1 A 108 108 GLN H H 108 7.414 7.657 -0.243 1
1 1190 . 16 1 1 A 108 108 GLN HA H 108 4.404 4.335 0.069 1
1 1197 . 16 1 1 A 108 108 GLN CA C 108 55.470 55.646 -0.176 1
1 1198 . 16 1 1 A 108 108 GLN CB C 108 28.400 28.970 -0.570 1
1 1200 . 16 1 1 A 108 108 GLN N N 108 119.000 118.215 0.785 1
1 1202 . 16 1 1 A 109 109 GLY H H 109 7.835 8.204 -0.369 1
1 1203 . 16 1 1 A 109 109 GLY HA2 H 109 4.136 3.902 0.234 1
1 1204 . 16 1 1 A 109 109 GLY HA3 H 109 3.530 3.909 -0.379 1
1 1205 . 16 1 1 A 109 109 GLY CA C 109 45.549 44.942 0.607 1
1 1206 . 16 1 1 A 109 109 GLY N N 109 107.333 107.970 -0.637 1
1 1207 . 16 1 1 A 110 110 GLU H H 110 7.562 7.883 -0.321 1
1 1208 . 16 1 1 A 110 110 GLU HA H 110 4.209 4.352 -0.143 1
1 1213 . 16 1 1 A 110 110 GLU CA C 110 54.320 55.778 -1.458 1
1 1214 . 16 1 1 A 110 110 GLU CB C 110 29.760 30.847 -1.087 1
1 1216 . 16 1 1 A 110 110 GLU N N 110 120.137 120.522 -0.385 1
1 1217 . 16 1 1 A 111 111 GLU H H 111 8.799 8.449 0.350 1
1 1218 . 16 1 1 A 111 111 GLU HA H 111 4.194 4.887 -0.693 1
1 1223 . 16 1 1 A 111 111 GLU CA C 111 57.160 55.366 1.794 1
1 1224 . 16 1 1 A 111 111 GLU CB C 111 29.175 32.049 -2.874 1
1 1226 . 16 1 1 A 111 111 GLU N N 111 123.867 123.232 0.635 1
1 1227 . 16 1 1 A 112 112 VAL H H 112 9.093 9.162 -0.069 1
1 1228 . 16 1 1 A 112 112 VAL HA H 112 4.330 3.930 0.400 1
1 1236 . 16 1 1 A 112 112 VAL CA C 112 61.529 64.135 -2.606 1
1 1237 . 16 1 1 A 112 112 VAL CB C 112 33.230 32.462 0.768 1
1 1240 . 16 1 1 A 112 112 VAL N N 112 122.642 126.801 -4.159 1
1 1241 . 16 1 1 A 113 113 ALA H H 113 7.793 6.846 0.947 1
1 1242 . 16 1 1 A 113 113 ALA HA H 113 4.770 4.593 0.177 1
1 1246 . 16 1 1 A 113 113 ALA CA C 113 52.449 51.660 0.789 1
1 1247 . 16 1 1 A 113 113 ALA CB C 113 22.400 22.244 0.156 1
1 1248 . 16 1 1 A 113 113 ALA N N 113 121.070 118.216 2.854 1
1 1249 . 16 1 1 A 114 114 GLN H H 114 8.450 8.887 -0.437 1
1 1250 . 16 1 1 A 114 114 GLN HA H 114 5.404 5.426 -0.022 1
1 1257 . 16 1 1 A 114 114 GLN CA C 114 54.830 54.059 0.771 1
1 1258 . 16 1 1 A 114 114 GLN CB C 114 32.307 32.750 -0.443 1
1 1260 . 16 1 1 A 114 114 GLN N N 114 115.851 116.092 -0.241 1
1 1262 . 16 1 1 A 115 115 ARG H H 115 8.989 8.552 0.437 1
1 1263 . 16 1 1 A 115 115 ARG HA H 115 4.555 4.846 -0.291 1
1 1270 . 16 1 1 A 115 115 ARG CA C 115 56.350 55.347 1.003 1
1 1271 . 16 1 1 A 115 115 ARG CB C 115 33.730 34.476 -0.746 1
1 1274 . 16 1 1 A 115 115 ARG N N 115 122.920 121.733 1.187 1
1 1275 . 16 1 1 A 116 116 SER H H 116 8.511 8.903 -0.392 1
1 1276 . 16 1 1 A 116 116 SER HA H 116 5.756 5.580 0.176 1
1 1279 . 16 1 1 A 116 116 SER CA C 116 56.400 56.621 -0.221 1
1 1280 . 16 1 1 A 116 116 SER CB C 116 65.770 65.724 0.046 1
1 1281 . 16 1 1 A 116 116 SER N N 116 119.807 118.561 1.246 1
1 1282 . 16 1 1 A 117 117 THR H H 117 8.801 8.333 0.468 1
1 1283 . 16 1 1 A 117 117 THR HA H 117 4.378 5.008 -0.630 1
1 1288 . 16 1 1 A 117 117 THR CA C 117 62.160 60.768 1.392 1
1 1289 . 16 1 1 A 117 117 THR CB C 117 70.010 70.306 -0.296 1
1 1291 . 16 1 1 A 117 117 THR N N 117 116.435 111.645 4.790 1
1 1292 . 16 1 1 A 118 118 VAL H H 118 8.165 8.717 -0.552 1
1 1293 . 16 1 1 A 118 118 VAL HA H 118 4.227 4.158 0.069 1
1 1301 . 16 1 1 A 118 118 VAL CA C 118 61.320 62.610 -1.290 1
1 1302 . 16 1 1 A 118 118 VAL CB C 118 32.931 31.059 1.872 1
1 1305 . 16 1 1 A 118 118 VAL N N 118 122.111 126.702 -4.591 1
1 1306 . 16 1 1 A 119 119 PHE H H 119 8.580 8.004 0.576 1
1 1307 . 16 1 1 A 119 119 PHE HA H 119 4.655 4.465 0.190 1
1 1314 . 16 1 1 A 119 119 PHE CA C 119 57.520 58.201 -0.681 1
1 1315 . 16 1 1 A 119 119 PHE CB C 119 39.550 39.034 0.516 1
1 1320 . 16 1 1 A 119 119 PHE N N 119 126.006 126.715 -0.709 1
1 1321 . 16 1 1 A 120 120 LYS H H 120 8.346 8.814 -0.468 1
1 1322 . 16 1 1 A 120 120 LYS HA H 120 4.432 5.064 -0.632 1
1 1331 . 16 1 1 A 120 120 LYS CA C 120 55.740 54.376 1.364 1
1 1332 . 16 1 1 A 120 120 LYS CB C 120 33.290 35.781 -2.491 1
1 1336 . 16 1 1 A 120 120 LYS N N 120 124.095 124.396 -0.301 1
1 1337 . 16 1 1 A 121 121 THR H H 121 8.294 8.622 -0.328 1
1 1338 . 16 1 1 A 121 121 THR HA H 121 4.394 5.000 -0.606 1
1 1343 . 16 1 1 A 121 121 THR CA C 121 61.610 61.868 -0.258 1
1 1344 . 16 1 1 A 121 121 THR CB C 121 69.640 70.777 -1.137 1
1 1346 . 16 1 1 A 121 121 THR N N 121 116.359 116.780 -0.421 1
1 1 . 17 1 1 A 3 3 HIS H H 3 8.528 8.393 0.135 1
1 2 . 17 1 1 A 3 3 HIS HA H 3 4.626 4.949 -0.323 1
1 5 . 17 1 1 A 3 3 HIS CA C 3 55.260 55.960 -0.700 1
1 6 . 17 1 1 A 3 3 HIS CB C 3 29.250 32.223 -2.973 1
1 7 . 17 1 1 A 3 3 HIS N N 3 118.990 118.377 0.613 1
1 8 . 17 1 1 A 4 4 HIS H H 4 8.528 8.598 -0.070 1
1 9 . 17 1 1 A 4 4 HIS HA H 4 4.624 5.482 -0.858 1
1 12 . 17 1 1 A 4 4 HIS CA C 4 55.277 53.688 1.589 1
1 13 . 17 1 1 A 4 4 HIS CB C 4 29.002 32.676 -3.674 1
1 14 . 17 1 1 A 4 4 HIS N N 4 118.990 118.097 0.893 1
1 15 . 17 1 1 A 5 5 HIS H H 5 8.579 8.957 -0.378 1
1 16 . 17 1 1 A 5 5 HIS HA H 5 4.737 4.634 0.103 1
1 19 . 17 1 1 A 5 5 HIS CA C 5 55.330 57.089 -1.759 1
1 20 . 17 1 1 A 5 5 HIS CB C 5 29.257 30.334 -1.077 1
1 21 . 17 1 1 A 5 5 HIS N N 5 119.720 123.087 -3.367 1
1 22 . 17 1 1 A 6 6 HIS H H 6 8.603 9.126 -0.523 1
1 23 . 17 1 1 A 6 6 HIS HA H 6 4.674 5.110 -0.436 1
1 26 . 17 1 1 A 6 6 HIS CA C 6 55.150 55.103 0.047 1
1 27 . 17 1 1 A 6 6 HIS CB C 6 27.340 33.544 -6.204 1
1 28 . 17 1 1 A 6 6 HIS N N 6 121.420 122.517 -1.097 1
1 29 . 17 1 1 A 7 7 HIS H H 7 8.706 8.259 0.447 1
1 30 . 17 1 1 A 7 7 HIS HA H 7 4.658 3.864 0.794 1
1 33 . 17 1 1 A 7 7 HIS CA C 7 55.100 57.037 -1.937 1
1 34 . 17 1 1 A 7 7 HIS CB C 7 29.300 26.570 2.730 1
1 35 . 17 1 1 A 7 7 HIS N N 7 121.200 118.717 2.483 1
1 36 . 17 1 1 A 8 8 HIS H H 8 8.706 7.947 0.759 1
1 37 . 17 1 1 A 8 8 HIS HA H 8 4.706 4.506 0.200 1
1 40 . 17 1 1 A 8 8 HIS CA C 8 55.156 54.105 1.051 1
1 41 . 17 1 1 A 8 8 HIS CB C 8 29.396 28.395 1.001 1
1 42 . 17 1 1 A 8 8 HIS N N 8 121.200 119.365 1.835 1
1 43 . 17 1 1 A 9 9 SER H H 9 8.551 8.609 -0.058 1
1 44 . 17 1 1 A 9 9 SER HA H 9 4.450 4.562 -0.112 1
1 47 . 17 1 1 A 9 9 SER CA C 9 58.200 55.608 2.592 1
1 48 . 17 1 1 A 9 9 SER CB C 9 63.740 64.950 -1.210 1
1 49 . 17 1 1 A 9 9 SER N N 9 118.046 121.374 -3.328 1
1 50 . 17 1 1 A 10 10 HIS H H 10 8.770 8.756 0.014 1
1 51 . 17 1 1 A 10 10 HIS HA H 10 4.726 5.166 -0.440 1
1 54 . 17 1 1 A 10 10 HIS CA C 10 55.640 54.593 1.047 1
1 55 . 17 1 1 A 10 10 HIS CB C 10 29.172 32.952 -3.780 1
1 56 . 17 1 1 A 10 10 HIS N N 10 120.412 119.110 1.302 1
1 57 . 17 1 1 A 11 11 MET H H 11 8.528 8.852 -0.324 1
1 58 . 17 1 1 A 11 11 MET HA H 11 4.658 5.188 -0.530 1
1 66 . 17 1 1 A 11 11 MET CA C 11 55.438 54.663 0.775 1
1 67 . 17 1 1 A 11 11 MET CB C 11 33.090 36.076 -2.986 1
1 70 . 17 1 1 A 11 11 MET N N 11 122.400 122.301 0.099 1
1 71 . 17 1 1 A 12 12 THR H H 12 8.339 8.978 -0.639 1
1 72 . 17 1 1 A 12 12 THR HA H 12 4.450 4.555 -0.105 1
1 77 . 17 1 1 A 12 12 THR CA C 12 61.810 59.591 2.219 1
1 78 . 17 1 1 A 12 12 THR CB C 12 70.450 70.925 -0.475 1
1 80 . 17 1 1 A 12 12 THR N N 12 115.700 119.332 -3.632 1
1 81 . 17 1 1 A 13 13 GLY H H 13 8.426 8.572 -0.146 1
1 82 . 17 1 1 A 13 13 GLY HA2 H 13 4.287 3.223 1.064 1
1 83 . 17 1 1 A 13 13 GLY HA3 H 13 3.877 3.353 0.524 1
1 84 . 17 1 1 A 13 13 GLY CA C 13 45.243 46.712 -1.469 1
1 85 . 17 1 1 A 13 13 GLY N N 13 110.872 111.254 -0.382 1
1 86 . 17 1 1 A 14 14 ASN H H 14 8.374 8.204 0.170 1
1 87 . 17 1 1 A 14 14 ASN HA H 14 4.720 4.705 0.015 1
1 92 . 17 1 1 A 14 14 ASN CA C 14 54.200 52.694 1.506 1
1 93 . 17 1 1 A 14 14 ASN CB C 14 39.210 37.670 1.540 1
1 94 . 17 1 1 A 14 14 ASN N N 14 117.789 119.485 -1.696 1
1 96 . 17 1 1 A 15 15 VAL H H 15 7.890 7.167 0.723 1
1 97 . 17 1 1 A 15 15 VAL HA H 15 4.843 4.139 0.704 1
1 105 . 17 1 1 A 15 15 VAL CA C 15 61.759 61.963 -0.204 1
1 106 . 17 1 1 A 15 15 VAL CB C 15 33.230 30.674 2.556 1
1 109 . 17 1 1 A 15 15 VAL N N 15 118.720 120.838 -2.118 1
1 110 . 17 1 1 A 16 16 CYS H H 16 9.060 8.273 0.787 1
1 111 . 17 1 1 A 16 16 CYS HA H 16 4.899 4.917 -0.018 1
1 114 . 17 1 1 A 16 16 CYS CA C 16 54.620 57.093 -2.473 1
1 115 . 17 1 1 A 16 16 CYS CB C 16 30.900 29.537 1.363 1
1 116 . 17 1 1 A 16 16 CYS N N 16 122.674 126.614 -3.940 1
1 117 . 17 1 1 A 17 17 ILE H H 17 8.845 8.722 0.123 1
1 118 . 17 1 1 A 17 17 ILE HA H 17 4.153 4.011 0.142 1
1 128 . 17 1 1 A 17 17 ILE CA C 17 61.080 62.411 -1.331 1
1 129 . 17 1 1 A 17 17 ILE CB C 17 36.397 37.683 -1.286 1
1 133 . 17 1 1 A 17 17 ILE N N 17 122.609 123.707 -1.098 1
1 134 . 17 1 1 A 18 18 GLU H H 18 8.917 9.130 -0.213 1
1 135 . 17 1 1 A 18 18 GLU HA H 18 4.230 4.340 -0.110 1
1 140 . 17 1 1 A 18 18 GLU CA C 18 57.160 58.003 -0.843 1
1 141 . 17 1 1 A 18 18 GLU CB C 18 30.550 30.976 -0.426 1
1 143 . 17 1 1 A 18 18 GLU N N 18 130.894 129.679 1.215 1
1 144 . 17 1 1 A 19 19 GLU H H 19 7.853 7.636 0.217 1
1 145 . 17 1 1 A 19 19 GLU HA H 19 4.470 4.737 -0.267 1
1 150 . 17 1 1 A 19 19 GLU CA C 19 56.110 55.865 0.245 1
1 151 . 17 1 1 A 19 19 GLU CB C 19 33.847 33.062 0.785 1
1 153 . 17 1 1 A 19 19 GLU N N 19 115.069 118.012 -2.943 1
1 154 . 17 1 1 A 20 20 ILE H H 20 8.744 8.613 0.131 1
1 155 . 17 1 1 A 20 20 ILE HA H 20 4.080 4.731 -0.651 1
1 165 . 17 1 1 A 20 20 ILE CA C 20 60.619 59.278 1.341 1
1 166 . 17 1 1 A 20 20 ILE CB C 20 39.170 41.620 -2.450 1
1 170 . 17 1 1 A 20 20 ILE N N 20 127.309 123.887 3.422 1
1 171 . 17 1 1 A 21 21 ASP H H 21 7.468 8.518 -1.050 1
1 172 . 17 1 1 A 21 21 ASP HA H 21 3.949 4.150 -0.201 1
1 175 . 17 1 1 A 21 21 ASP CA C 21 54.970 54.499 0.471 1
1 176 . 17 1 1 A 21 21 ASP CB C 21 42.170 41.681 0.489 1
1 177 . 17 1 1 A 21 21 ASP N N 21 124.858 126.966 -2.108 1
1 178 . 17 1 1 A 22 22 VAL H H 22 8.650 8.494 0.156 1
1 179 . 17 1 1 A 22 22 VAL HA H 22 3.998 3.934 0.064 1
1 187 . 17 1 1 A 22 22 VAL CA C 22 64.445 64.877 -0.432 1
1 188 . 17 1 1 A 22 22 VAL CB C 22 31.244 31.850 -0.606 1
1 191 . 17 1 1 A 22 22 VAL N N 22 130.172 126.207 3.965 1
1 192 . 17 1 1 A 23 23 ASP H H 23 7.482 7.693 -0.211 1
1 193 . 17 1 1 A 23 23 ASP HA H 23 4.711 4.463 0.248 1
1 196 . 17 1 1 A 23 23 ASP CA C 23 53.920 55.957 -2.037 1
1 197 . 17 1 1 A 23 23 ASP CB C 23 40.100 41.240 -1.140 1
1 198 . 17 1 1 A 23 23 ASP N N 23 118.547 120.741 -2.194 1
1 199 . 17 1 1 A 24 24 GLY H H 24 7.220 7.368 -0.148 1
1 200 . 17 1 1 A 24 24 GLY HA2 H 24 2.950 2.712 0.238 1
1 201 . 17 1 1 A 24 24 GLY HA3 H 24 2.407 3.045 -0.638 1
1 202 . 17 1 1 A 24 24 GLY CA C 24 45.040 44.093 0.947 1
1 203 . 17 1 1 A 24 24 GLY N N 24 105.293 106.439 -1.146 1
1 204 . 17 1 1 A 25 25 LYS H H 25 8.757 7.901 0.856 1
1 205 . 17 1 1 A 25 25 LYS HA H 25 3.964 4.125 -0.161 1
1 214 . 17 1 1 A 25 25 LYS CA C 25 56.590 57.221 -0.631 1
1 215 . 17 1 1 A 25 25 LYS CB C 25 33.660 33.206 0.454 1
1 219 . 17 1 1 A 25 25 LYS N N 25 111.753 117.178 -5.425 1
1 220 . 17 1 1 A 26 26 PHE H H 26 6.380 7.431 -1.051 1
1 221 . 17 1 1 A 26 26 PHE HA H 26 5.753 5.652 0.101 1
1 229 . 17 1 1 A 26 26 PHE CA C 26 56.370 55.971 0.399 1
1 230 . 17 1 1 A 26 26 PHE CB C 26 40.030 42.187 -2.157 1
1 236 . 17 1 1 A 26 26 PHE N N 26 110.097 113.629 -3.532 1
1 237 . 17 1 1 A 27 27 ILE H H 27 8.601 8.875 -0.274 1
1 238 . 17 1 1 A 27 27 ILE HA H 27 4.506 5.043 -0.537 1
1 248 . 17 1 1 A 27 27 ILE CA C 27 60.905 60.023 0.882 1
1 249 . 17 1 1 A 27 27 ILE CB C 27 43.249 41.044 2.205 1
1 253 . 17 1 1 A 27 27 ILE N N 27 119.676 120.296 -0.620 1
1 254 . 17 1 1 A 28 28 ARG H H 28 9.290 9.345 -0.055 1
1 255 . 17 1 1 A 28 28 ARG HA H 28 5.561 5.297 0.264 1
1 262 . 17 1 1 A 28 28 ARG CA C 28 54.650 54.738 -0.088 1
1 263 . 17 1 1 A 28 28 ARG CB C 28 34.180 32.985 1.195 1
1 266 . 17 1 1 A 28 28 ARG N N 28 127.516 128.092 -0.576 1
1 267 . 17 1 1 A 29 29 LEU H H 29 9.502 9.007 0.495 1
1 268 . 17 1 1 A 29 29 LEU HA H 29 5.306 5.120 0.186 1
1 278 . 17 1 1 A 29 29 LEU CA C 29 54.010 53.143 0.867 1
1 279 . 17 1 1 A 29 29 LEU CB C 29 44.020 44.993 -0.973 1
1 283 . 17 1 1 A 29 29 LEU N N 29 126.696 128.216 -1.520 1
1 284 . 17 1 1 A 30 30 LYS H H 30 8.641 9.230 -0.589 1
1 285 . 17 1 1 A 30 30 LYS HA H 30 5.108 5.104 0.004 1
1 294 . 17 1 1 A 30 30 LYS CA C 30 54.660 54.628 0.032 1
1 295 . 17 1 1 A 30 30 LYS CB C 30 38.070 36.123 1.947 1
1 299 . 17 1 1 A 30 30 LYS N N 30 118.761 123.366 -4.605 1
1 300 . 17 1 1 A 31 31 ASN H H 31 8.397 8.683 -0.286 1
1 301 . 17 1 1 A 31 31 ASN HA H 31 5.319 4.881 0.438 1
1 306 . 17 1 1 A 31 31 ASN CA C 31 50.690 52.520 -1.830 1
1 307 . 17 1 1 A 31 31 ASN CB C 31 37.490 38.433 -0.943 1
1 308 . 17 1 1 A 31 31 ASN N N 31 123.996 124.404 -0.408 1
1 310 . 17 1 1 A 32 32 THR H H 32 8.455 8.220 0.235 1
1 311 . 17 1 1 A 32 32 THR HA H 32 4.302 4.499 -0.197 1
1 316 . 17 1 1 A 32 32 THR CA C 32 61.492 62.034 -0.542 1
1 317 . 17 1 1 A 32 32 THR CB C 32 68.110 69.015 -0.905 1
1 319 . 17 1 1 A 32 32 THR N N 32 115.755 121.850 -6.095 1
1 320 . 17 1 1 A 33 33 SER H H 33 8.487 7.649 0.838 1
1 321 . 17 1 1 A 33 33 SER HA H 33 4.793 4.568 0.225 1
1 324 . 17 1 1 A 33 33 SER CA C 33 57.500 56.606 0.894 1
1 325 . 17 1 1 A 33 33 SER CB C 33 66.510 65.165 1.345 1
1 326 . 17 1 1 A 33 33 SER N N 33 120.037 118.714 1.323 1
1 327 . 17 1 1 A 34 34 GLU H H 34 8.355 8.791 -0.436 1
1 328 . 17 1 1 A 34 34 GLU HA H 34 4.335 4.438 -0.103 1
1 333 . 17 1 1 A 34 34 GLU CA C 34 55.840 56.768 -0.928 1
1 334 . 17 1 1 A 34 34 GLU CB C 34 28.930 31.012 -2.082 1
1 336 . 17 1 1 A 34 34 GLU N N 34 116.545 122.043 -5.498 1
1 337 . 17 1 1 A 35 35 GLN H H 35 8.634 7.250 1.384 1
1 338 . 17 1 1 A 35 35 GLN HA H 35 4.664 4.762 -0.098 1
1 345 . 17 1 1 A 35 35 GLN CA C 35 53.740 54.564 -0.824 1
1 346 . 17 1 1 A 35 35 GLN CB C 35 31.696 31.199 0.497 1
1 348 . 17 1 1 A 35 35 GLN N N 35 120.013 120.953 -0.940 1
1 350 . 17 1 1 A 36 36 ASP H H 36 8.859 8.637 0.222 1
1 351 . 17 1 1 A 36 36 ASP HA H 36 4.050 4.711 -0.661 1
1 354 . 17 1 1 A 36 36 ASP CA C 36 54.640 54.196 0.444 1
1 355 . 17 1 1 A 36 36 ASP CB C 36 40.120 39.613 0.507 1
1 356 . 17 1 1 A 36 36 ASP N N 36 124.552 123.559 0.993 1
1 357 . 17 1 1 A 37 37 GLN H H 37 8.141 8.499 -0.358 1
1 358 . 17 1 1 A 37 37 GLN HA H 37 4.786 4.662 0.124 1
1 365 . 17 1 1 A 37 37 GLN CA C 37 50.858 53.493 -2.635 1
1 366 . 17 1 1 A 37 37 GLN CB C 37 31.860 29.201 2.659 1
1 368 . 17 1 1 A 37 37 GLN N N 37 120.015 123.696 -3.681 1
1 370 . 17 1 1 A 38 38 PRO HA H 38 4.367 4.601 -0.234 1
1 377 . 17 1 1 A 38 38 PRO CA C 38 63.330 62.870 0.460 1
1 378 . 17 1 1 A 38 38 PRO CB C 38 31.750 32.706 -0.956 1
1 381 . 17 1 1 A 39 39 MET H H 39 8.392 8.795 -0.403 1
1 382 . 17 1 1 A 39 39 MET HA H 39 2.792 3.839 -1.047 1
1 390 . 17 1 1 A 39 39 MET CA C 39 53.780 57.761 -3.981 1
1 391 . 17 1 1 A 39 39 MET CB C 39 34.410 33.221 1.189 1
1 394 . 17 1 1 A 39 39 MET N N 39 124.427 123.345 1.082 1
1 395 . 17 1 1 A 40 40 GLY H H 40 7.940 8.032 -0.092 1
1 396 . 17 1 1 A 40 40 GLY HA2 H 40 4.154 3.220 0.934 1
1 397 . 17 1 1 A 40 40 GLY HA3 H 40 3.763 3.576 0.187 1
1 398 . 17 1 1 A 40 40 GLY CA C 40 48.114 46.851 1.263 1
1 399 . 17 1 1 A 40 40 GLY N N 40 108.664 107.199 1.465 1
1 400 . 17 1 1 A 41 41 GLY H H 41 7.959 7.243 0.716 1
1 401 . 17 1 1 A 41 41 GLY HA2 H 41 4.323 3.946 0.377 1
1 402 . 17 1 1 A 41 41 GLY HA3 H 41 3.769 3.977 -0.208 1
1 403 . 17 1 1 A 41 41 GLY CA C 41 46.020 45.281 0.739 1
1 404 . 17 1 1 A 41 41 GLY N N 41 114.027 109.990 4.037 1
1 405 . 17 1 1 A 42 42 TRP H H 42 8.667 7.528 1.139 1
1 406 . 17 1 1 A 42 42 TRP HA H 42 4.408 4.648 -0.240 1
1 415 . 17 1 1 A 42 42 TRP CA C 42 58.925 57.326 1.599 1
1 416 . 17 1 1 A 42 42 TRP CB C 42 28.120 30.539 -2.419 1
1 422 . 17 1 1 A 42 42 TRP N N 42 122.097 119.971 2.126 1
1 424 . 17 1 1 A 43 43 GLU H H 43 8.740 9.150 -0.410 1
1 425 . 17 1 1 A 43 43 GLU HA H 43 5.462 4.766 0.696 1
1 430 . 17 1 1 A 43 43 GLU CA C 43 54.410 55.500 -1.090 1
1 431 . 17 1 1 A 43 43 GLU CB C 43 33.980 31.320 2.660 1
1 433 . 17 1 1 A 43 43 GLU N N 43 120.300 123.590 -3.290 1
1 434 . 17 1 1 A 44 44 MET H H 44 9.658 9.518 0.140 1
1 435 . 17 1 1 A 44 44 MET HA H 44 5.488 5.222 0.266 1
1 443 . 17 1 1 A 44 44 MET CA C 44 53.360 54.000 -0.640 1
1 444 . 17 1 1 A 44 44 MET CB C 44 37.490 33.871 3.619 1
1 447 . 17 1 1 A 44 44 MET N N 44 126.477 127.893 -1.416 1
1 448 . 17 1 1 A 45 45 ILE H H 45 9.658 9.002 0.656 1
1 449 . 17 1 1 A 45 45 ILE HA H 45 4.781 4.633 0.148 1
1 459 . 17 1 1 A 45 45 ILE CA C 45 60.413 60.861 -0.448 1
1 460 . 17 1 1 A 45 45 ILE CB C 45 40.804 38.050 2.754 1
1 464 . 17 1 1 A 45 45 ILE N N 45 127.329 127.241 0.088 1
1 465 . 17 1 1 A 46 46 ARG H H 46 9.217 9.414 -0.197 1
1 466 . 17 1 1 A 46 46 ARG HA H 46 5.083 5.042 0.041 1
1 474 . 17 1 1 A 46 46 ARG CA C 46 53.760 54.352 -0.592 1
1 475 . 17 1 1 A 46 46 ARG CB C 46 33.559 33.599 -0.040 1
1 478 . 17 1 1 A 46 46 ARG N N 46 126.837 129.802 -2.965 1
1 480 . 17 1 1 A 47 47 LYS H H 47 9.876 8.848 1.028 1
1 481 . 17 1 1 A 47 47 LYS HA H 47 5.257 5.326 -0.069 1
1 490 . 17 1 1 A 47 47 LYS CA C 47 55.260 54.809 0.451 1
1 491 . 17 1 1 A 47 47 LYS CB C 47 34.860 35.520 -0.660 1
1 495 . 17 1 1 A 47 47 LYS N N 47 132.271 126.793 5.478 1
1 496 . 17 1 1 A 48 48 ILE H H 48 7.909 8.659 -0.750 1
1 497 . 17 1 1 A 48 48 ILE HA H 48 4.360 4.567 -0.207 1
1 507 . 17 1 1 A 48 48 ILE CA C 48 61.132 59.467 1.665 1
1 508 . 17 1 1 A 48 48 ILE CB C 48 40.316 39.751 0.565 1
1 512 . 17 1 1 A 48 48 ILE N N 48 125.793 127.783 -1.990 1
1 513 . 17 1 1 A 49 49 GLY H H 49 9.576 8.946 0.630 1
1 514 . 17 1 1 A 49 49 GLY HA2 H 49 4.021 3.824 0.197 1
1 515 . 17 1 1 A 49 49 GLY HA3 H 49 3.730 3.827 -0.097 1
1 516 . 17 1 1 A 49 49 GLY CA C 49 46.910 47.310 -0.400 1
1 517 . 17 1 1 A 49 49 GLY N N 49 120.665 119.237 1.428 1
1 518 . 17 1 1 A 50 50 ASP H H 50 8.935 8.591 0.344 1
1 519 . 17 1 1 A 50 50 ASP HA H 50 4.777 4.902 -0.125 1
1 522 . 17 1 1 A 50 50 ASP CA C 50 54.000 54.184 -0.184 1
1 523 . 17 1 1 A 50 50 ASP CB C 50 40.520 43.848 -3.328 1
1 524 . 17 1 1 A 50 50 ASP N N 50 126.343 123.477 2.866 1
1 525 . 17 1 1 A 51 51 THR H H 51 8.253 7.225 1.028 1
1 526 . 17 1 1 A 51 51 THR HA H 51 4.638 4.348 0.290 1
1 531 . 17 1 1 A 51 51 THR CA C 51 61.690 62.963 -1.273 1
1 532 . 17 1 1 A 51 51 THR CB C 51 71.080 69.762 1.318 1
1 534 . 17 1 1 A 51 51 THR N N 51 115.167 114.563 0.604 1
1 535 . 17 1 1 A 52 52 SER H H 52 8.710 8.795 -0.085 1
1 536 . 17 1 1 A 52 52 SER HA H 52 5.318 5.772 -0.454 1
1 539 . 17 1 1 A 52 52 SER CA C 52 57.290 55.995 1.295 1
1 540 . 17 1 1 A 52 52 SER CB C 52 64.730 66.611 -1.881 1
1 541 . 17 1 1 A 52 52 SER N N 52 121.442 120.545 0.897 1
1 542 . 17 1 1 A 53 53 VAL H H 53 8.448 8.901 -0.453 1
1 543 . 17 1 1 A 53 53 VAL HA H 53 4.650 4.796 -0.146 1
1 551 . 17 1 1 A 53 53 VAL CA C 53 60.449 60.312 0.137 1
1 552 . 17 1 1 A 53 53 VAL CB C 53 35.105 35.625 -0.520 1
1 555 . 17 1 1 A 53 53 VAL N N 53 121.387 120.842 0.545 1
1 556 . 17 1 1 A 54 54 SER H H 54 8.761 9.087 -0.326 1
1 557 . 17 1 1 A 54 54 SER HA H 54 5.760 5.900 -0.140 1
1 560 . 17 1 1 A 54 54 SER CA C 54 57.180 56.508 0.672 1
1 561 . 17 1 1 A 54 54 SER CB C 54 65.910 65.841 0.069 1
1 562 . 17 1 1 A 54 54 SER N N 54 118.025 122.077 -4.052 1
1 563 . 17 1 1 A 55 55 TYR H H 55 9.340 8.840 0.500 1
1 564 . 17 1 1 A 55 55 TYR HA H 55 4.175 5.271 -1.096 1
1 571 . 17 1 1 A 55 55 TYR CA C 55 57.100 56.354 0.746 1
1 572 . 17 1 1 A 55 55 TYR CB C 55 39.870 41.531 -1.661 1
1 577 . 17 1 1 A 55 55 TYR N N 55 128.024 126.046 1.978 1
1 578 . 17 1 1 A 56 56 LYS H H 56 7.551 8.437 -0.886 1
1 579 . 17 1 1 A 56 56 LYS HA H 56 4.890 5.015 -0.125 1
1 588 . 17 1 1 A 56 56 LYS CA C 56 54.117 54.189 -0.072 1
1 589 . 17 1 1 A 56 56 LYS CB C 56 33.610 34.514 -0.904 1
1 593 . 17 1 1 A 56 56 LYS N N 56 127.706 128.409 -0.703 1
1 594 . 17 1 1 A 57 57 TYR H H 57 8.247 8.940 -0.693 1
1 595 . 17 1 1 A 57 57 TYR HA H 57 3.996 4.570 -0.574 1
1 602 . 17 1 1 A 57 57 TYR CA C 57 59.032 57.026 2.006 1
1 603 . 17 1 1 A 57 57 TYR CB C 57 39.390 37.293 2.097 1
1 608 . 17 1 1 A 57 57 TYR N N 57 124.225 127.115 -2.890 1
1 609 . 17 1 1 A 58 58 THR H H 58 8.722 8.569 0.153 1
1 610 . 17 1 1 A 58 58 THR HA H 58 4.259 4.220 0.039 1
1 615 . 17 1 1 A 58 58 THR CA C 58 62.250 62.351 -0.101 1
1 616 . 17 1 1 A 58 58 THR CB C 58 69.280 69.789 -0.509 1
1 618 . 17 1 1 A 58 58 THR N N 58 116.096 120.958 -4.862 1
1 619 . 17 1 1 A 59 59 SER H H 59 8.402 8.095 0.307 1
1 620 . 17 1 1 A 59 59 SER HA H 59 4.050 4.380 -0.330 1
1 623 . 17 1 1 A 59 59 SER CA C 59 61.680 57.760 3.920 1
1 624 . 17 1 1 A 59 59 SER CB C 59 63.210 62.141 1.069 1
1 625 . 17 1 1 A 59 59 SER N N 59 114.556 121.468 -6.912 1
1 626 . 17 1 1 A 60 60 ARG H H 60 8.176 8.310 -0.134 1
1 627 . 17 1 1 A 60 60 ARG HA H 60 4.489 4.604 -0.115 1
1 634 . 17 1 1 A 60 60 ARG CA C 60 54.960 56.407 -1.447 1
1 635 . 17 1 1 A 60 60 ARG CB C 60 29.846 31.716 -1.870 1
1 638 . 17 1 1 A 60 60 ARG N N 60 118.244 121.719 -3.475 1
1 639 . 17 1 1 A 61 61 TYR H H 61 7.617 7.421 0.196 1
1 640 . 17 1 1 A 61 61 TYR HA H 61 3.897 5.025 -1.128 1
1 647 . 17 1 1 A 61 61 TYR CA C 61 61.930 56.347 5.583 1
1 648 . 17 1 1 A 61 61 TYR CB C 61 38.670 40.363 -1.693 1
1 653 . 17 1 1 A 61 61 TYR N N 61 122.301 116.403 5.898 1
1 654 . 17 1 1 A 62 62 VAL H H 62 7.363 9.033 -1.670 1
1 655 . 17 1 1 A 62 62 VAL HA H 62 3.893 4.926 -1.033 1
1 663 . 17 1 1 A 62 62 VAL CA C 62 60.590 59.407 1.183 1
1 664 . 17 1 1 A 62 62 VAL CB C 62 35.270 34.873 0.397 1
1 667 . 17 1 1 A 62 62 VAL N N 62 129.952 115.896 14.056 1
1 668 . 17 1 1 A 63 63 LEU H H 63 7.852 9.277 -1.425 1
1 669 . 17 1 1 A 63 63 LEU HA H 63 4.558 5.102 -0.544 1
1 679 . 17 1 1 A 63 63 LEU CA C 63 51.980 53.666 -1.686 1
1 680 . 17 1 1 A 63 63 LEU CB C 63 42.600 45.706 -3.106 1
1 684 . 17 1 1 A 63 63 LEU N N 63 128.635 125.002 3.633 1
1 685 . 17 1 1 A 64 64 LYS H H 64 8.770 8.565 0.205 1
1 686 . 17 1 1 A 64 64 LYS HA H 64 3.722 4.383 -0.661 1
1 695 . 17 1 1 A 64 64 LYS CA C 64 57.360 55.678 1.682 1
1 696 . 17 1 1 A 64 64 LYS CB C 64 32.381 33.406 -1.025 1
1 700 . 17 1 1 A 64 64 LYS N N 64 130.633 128.383 2.250 1
1 701 . 17 1 1 A 65 65 ALA H H 65 8.628 8.423 0.205 1
1 702 . 17 1 1 A 65 65 ALA HA H 65 3.557 4.018 -0.461 1
1 706 . 17 1 1 A 65 65 ALA CA C 65 53.700 53.814 -0.114 1
1 707 . 17 1 1 A 65 65 ALA CB C 65 18.660 18.469 0.191 1
1 708 . 17 1 1 A 65 65 ALA N N 65 123.214 126.098 -2.884 1
1 709 . 17 1 1 A 66 66 GLY H H 66 7.505 8.973 -1.468 1
1 710 . 17 1 1 A 66 66 GLY HA2 H 66 4.020 3.995 0.025 1
1 711 . 17 1 1 A 66 66 GLY HA3 H 66 4.020 3.998 0.022 1
1 712 . 17 1 1 A 66 66 GLY CA C 66 46.864 45.197 1.667 1
1 713 . 17 1 1 A 66 66 GLY N N 66 112.913 110.781 2.132 1
1 714 . 17 1 1 A 67 67 GLN H H 67 8.136 7.902 0.234 1
1 715 . 17 1 1 A 67 67 GLN HA H 67 4.436 4.375 0.061 1
1 722 . 17 1 1 A 67 67 GLN CA C 67 55.029 55.898 -0.869 1
1 723 . 17 1 1 A 67 67 GLN CB C 67 29.700 29.806 -0.106 1
1 725 . 17 1 1 A 67 67 GLN N N 67 118.759 121.633 -2.874 1
1 727 . 17 1 1 A 68 68 THR H H 68 8.066 8.542 -0.476 1
1 728 . 17 1 1 A 68 68 THR HA H 68 5.414 5.508 -0.094 1
1 733 . 17 1 1 A 68 68 THR CA C 68 60.050 60.584 -0.534 1
1 734 . 17 1 1 A 68 68 THR CB C 68 72.052 70.468 1.584 1
1 736 . 17 1 1 A 68 68 THR N N 68 111.842 115.455 -3.613 1
1 737 . 17 1 1 A 69 69 VAL H H 69 8.780 9.284 -0.504 1
1 738 . 17 1 1 A 69 69 VAL HA H 69 4.989 4.768 0.221 1
1 746 . 17 1 1 A 69 69 VAL CA C 69 59.265 60.096 -0.831 1
1 747 . 17 1 1 A 69 69 VAL CB C 69 33.600 33.956 -0.356 1
1 750 . 17 1 1 A 69 69 VAL N N 69 120.958 125.429 -4.471 1
1 751 . 17 1 1 A 70 70 THR H H 70 8.660 9.093 -0.433 1
1 752 . 17 1 1 A 70 70 THR HA H 70 4.618 5.009 -0.391 1
1 757 . 17 1 1 A 70 70 THR CA C 70 61.730 62.006 -0.276 1
1 758 . 17 1 1 A 70 70 THR CB C 70 69.550 69.761 -0.211 1
1 760 . 17 1 1 A 70 70 THR N N 70 125.533 122.843 2.690 1
1 761 . 17 1 1 A 71 71 ILE H H 71 8.994 9.543 -0.549 1
1 762 . 17 1 1 A 71 71 ILE HA H 71 4.369 4.849 -0.480 1
1 772 . 17 1 1 A 71 71 ILE CA C 71 59.162 60.528 -1.366 1
1 773 . 17 1 1 A 71 71 ILE CB C 71 36.826 38.312 -1.486 1
1 777 . 17 1 1 A 71 71 ILE N N 71 127.838 128.442 -0.604 1
1 778 . 17 1 1 A 72 72 TRP H H 72 9.270 9.432 -0.162 1
1 779 . 17 1 1 A 72 72 TRP HA H 72 5.167 5.101 0.066 1
1 788 . 17 1 1 A 72 72 TRP CA C 72 56.180 57.122 -0.942 1
1 789 . 17 1 1 A 72 72 TRP CB C 72 31.490 30.291 1.199 1
1 795 . 17 1 1 A 72 72 TRP N N 72 127.112 129.586 -2.474 1
1 797 . 17 1 1 A 73 73 ALA H H 73 9.010 9.030 -0.020 1
1 798 . 17 1 1 A 73 73 ALA HA H 73 4.617 4.648 -0.031 1
1 802 . 17 1 1 A 73 73 ALA CA C 73 52.110 51.161 0.949 1
1 803 . 17 1 1 A 73 73 ALA CB C 73 19.070 17.774 1.296 1
1 804 . 17 1 1 A 73 73 ALA N N 73 122.140 128.372 -6.232 1
1 805 . 17 1 1 A 74 74 ALA H H 74 9.002 8.805 0.197 1
1 806 . 17 1 1 A 74 74 ALA HA H 74 4.042 3.897 0.145 1
1 810 . 17 1 1 A 74 74 ALA CA C 74 54.650 55.032 -0.382 1
1 811 . 17 1 1 A 74 74 ALA CB C 74 18.070 17.802 0.268 1
1 812 . 17 1 1 A 74 74 ALA N N 74 123.213 122.512 0.701 1
1 813 . 17 1 1 A 75 75 ASN H H 75 8.162 8.962 -0.800 1
1 814 . 17 1 1 A 75 75 ASN HA H 75 5.015 4.966 0.049 1
1 819 . 17 1 1 A 75 75 ASN CA C 75 51.650 52.260 -0.610 1
1 820 . 17 1 1 A 75 75 ASN CB C 75 36.590 36.487 0.103 1
1 821 . 17 1 1 A 75 75 ASN N N 75 112.259 115.841 -3.582 1
1 823 . 17 1 1 A 76 76 ALA H H 76 7.605 8.443 -0.838 1
1 824 . 17 1 1 A 76 76 ALA HA H 76 4.281 4.244 0.037 1
1 828 . 17 1 1 A 76 76 ALA CA C 76 53.203 52.577 0.626 1
1 829 . 17 1 1 A 76 76 ALA CB C 76 20.210 20.513 -0.303 1
1 830 . 17 1 1 A 76 76 ALA N N 76 120.777 125.370 -4.593 1
1 831 . 17 1 1 A 77 77 GLY H H 77 8.449 8.064 0.385 1
1 832 . 17 1 1 A 77 77 GLY HA2 H 77 3.960 3.886 0.074 1
1 833 . 17 1 1 A 77 77 GLY HA3 H 77 3.537 3.911 -0.374 1
1 834 . 17 1 1 A 77 77 GLY CA C 77 45.410 45.156 0.254 1
1 835 . 17 1 1 A 77 77 GLY N N 77 107.064 107.749 -0.685 1
1 836 . 17 1 1 A 78 78 VAL H H 78 7.286 7.579 -0.293 1
1 837 . 17 1 1 A 78 78 VAL HA H 78 3.804 4.109 -0.305 1
1 845 . 17 1 1 A 78 78 VAL CA C 78 60.736 61.554 -0.818 1
1 846 . 17 1 1 A 78 78 VAL CB C 78 33.590 33.088 0.502 1
1 849 . 17 1 1 A 78 78 VAL N N 78 120.566 118.856 1.710 1
1 850 . 17 1 1 A 79 79 THR H H 79 8.148 8.246 -0.098 1
1 851 . 17 1 1 A 79 79 THR HA H 79 4.145 4.106 0.039 1
1 856 . 17 1 1 A 79 79 THR CA C 79 61.395 63.953 -2.558 1
1 857 . 17 1 1 A 79 79 THR CB C 79 69.620 68.857 0.763 1
1 859 . 17 1 1 A 79 79 THR N N 79 121.617 116.854 4.763 1
1 860 . 17 1 1 A 80 80 ALA H H 80 8.593 8.503 0.090 1
1 861 . 17 1 1 A 80 80 ALA HA H 80 3.703 4.279 -0.576 1
1 865 . 17 1 1 A 80 80 ALA CA C 80 53.410 52.422 0.988 1
1 866 . 17 1 1 A 80 80 ALA CB C 80 19.180 18.381 0.799 1
1 867 . 17 1 1 A 80 80 ALA N N 80 126.311 130.375 -4.064 1
1 868 . 17 1 1 A 81 81 SER H H 81 9.101 8.516 0.585 1
1 869 . 17 1 1 A 81 81 SER HA H 81 4.747 4.164 0.583 1
1 872 . 17 1 1 A 81 81 SER CA C 81 55.046 59.146 -4.100 1
1 873 . 17 1 1 A 81 81 SER CB C 81 62.680 61.715 0.965 1
1 874 . 17 1 1 A 81 81 SER N N 81 114.816 117.876 -3.060 1
1 875 . 17 1 1 A 82 82 PRO HA H 82 4.328 4.474 -0.146 1
1 882 . 17 1 1 A 82 82 PRO CA C 82 62.158 62.222 -0.064 1
1 883 . 17 1 1 A 82 82 PRO CB C 82 30.480 32.568 -2.088 1
1 886 . 17 1 1 A 83 83 PRO HA H 83 4.821 3.443 1.378 1
1 893 . 17 1 1 A 83 83 PRO CA C 83 64.384 64.070 0.314 1
1 894 . 17 1 1 A 83 83 PRO CB C 83 34.750 29.776 4.974 1
1 897 . 17 1 1 A 84 84 THR H H 84 8.007 6.997 1.010 1
1 898 . 17 1 1 A 84 84 THR HA H 84 4.567 4.144 0.423 1
1 903 . 17 1 1 A 84 84 THR CA C 84 64.770 62.590 2.180 1
1 904 . 17 1 1 A 84 84 THR CB C 84 69.370 70.848 -1.478 1
1 906 . 17 1 1 A 84 84 THR N N 84 114.629 110.334 4.295 1
1 907 . 17 1 1 A 85 85 ASP H H 85 7.952 8.207 -0.255 1
1 908 . 17 1 1 A 85 85 ASP HA H 85 5.950 5.369 0.581 1
1 911 . 17 1 1 A 85 85 ASP CA C 85 54.110 53.239 0.871 1
1 912 . 17 1 1 A 85 85 ASP CB C 85 43.510 43.479 0.031 1
1 913 . 17 1 1 A 85 85 ASP N N 85 124.539 121.242 3.297 1
1 914 . 17 1 1 A 86 86 LEU H H 86 9.271 9.227 0.044 1
1 915 . 17 1 1 A 86 86 LEU HA H 86 4.953 5.335 -0.382 1
1 925 . 17 1 1 A 86 86 LEU CA C 86 52.230 53.458 -1.228 1
1 926 . 17 1 1 A 86 86 LEU CB C 86 44.070 45.880 -1.810 1
1 930 . 17 1 1 A 86 86 LEU N N 86 124.265 120.383 3.882 1
1 931 . 17 1 1 A 87 87 ILE H H 87 8.691 9.051 -0.360 1
1 932 . 17 1 1 A 87 87 ILE HA H 87 4.802 5.053 -0.251 1
1 942 . 17 1 1 A 87 87 ILE CA C 87 58.694 60.678 -1.984 1
1 943 . 17 1 1 A 87 87 ILE CB C 87 37.945 39.237 -1.292 1
1 947 . 17 1 1 A 87 87 ILE N N 87 119.475 123.087 -3.612 1
1 948 . 17 1 1 A 88 88 TRP H H 88 9.755 9.420 0.335 1
1 949 . 17 1 1 A 88 88 TRP HA H 88 4.918 4.436 0.482 1
1 958 . 17 1 1 A 88 88 TRP CA C 88 54.900 56.189 -1.289 1
1 959 . 17 1 1 A 88 88 TRP CB C 88 27.270 29.093 -1.823 1
1 965 . 17 1 1 A 88 88 TRP N N 88 132.610 129.904 2.706 1
1 967 . 17 1 1 A 89 89 LYS H H 89 8.282 8.842 -0.560 1
1 968 . 17 1 1 A 89 89 LYS HA H 89 3.996 4.279 -0.283 1
1 977 . 17 1 1 A 89 89 LYS CA C 89 58.847 57.492 1.355 1
1 978 . 17 1 1 A 89 89 LYS CB C 89 32.360 32.250 0.110 1
1 982 . 17 1 1 A 89 89 LYS N N 89 125.513 127.975 -2.462 1
1 983 . 17 1 1 A 90 90 ASN H H 90 8.810 7.796 1.014 1
1 984 . 17 1 1 A 90 90 ASN HA H 90 4.434 4.659 -0.225 1
1 989 . 17 1 1 A 90 90 ASN CA C 90 54.010 54.565 -0.555 1
1 990 . 17 1 1 A 90 90 ASN CB C 90 37.770 40.227 -2.457 1
1 991 . 17 1 1 A 90 90 ASN N N 90 114.946 115.263 -0.317 1
1 993 . 17 1 1 A 91 91 GLN H H 91 7.546 6.603 0.943 1
1 994 . 17 1 1 A 91 91 GLN HA H 91 4.412 4.535 -0.123 1
1 1001 . 17 1 1 A 91 91 GLN CA C 91 53.520 53.567 -0.047 1
1 1002 . 17 1 1 A 91 91 GLN CB C 91 28.470 31.267 -2.797 1
1 1004 . 17 1 1 A 91 91 GLN N N 91 117.746 116.998 0.748 1
1 1006 . 17 1 1 A 92 92 ASN H H 92 8.451 8.443 0.008 1
1 1007 . 17 1 1 A 92 92 ASN HA H 92 4.876 5.214 -0.338 1
1 1012 . 17 1 1 A 92 92 ASN CA C 92 52.080 51.983 0.097 1
1 1013 . 17 1 1 A 92 92 ASN CB C 92 39.400 39.940 -0.540 1
1 1014 . 17 1 1 A 92 92 ASN N N 92 123.697 123.904 -0.207 1
1 1016 . 17 1 1 A 93 93 SER H H 93 9.337 8.541 0.796 1
1 1017 . 17 1 1 A 93 93 SER HA H 93 3.977 4.637 -0.660 1
1 1020 . 17 1 1 A 93 93 SER CA C 93 58.940 58.704 0.236 1
1 1021 . 17 1 1 A 93 93 SER CB C 93 62.940 63.087 -0.147 1
1 1022 . 17 1 1 A 93 93 SER N N 93 117.010 114.190 2.820 1
1 1023 . 17 1 1 A 94 94 TRP H H 94 7.857 8.198 -0.341 1
1 1024 . 17 1 1 A 94 94 TRP HA H 94 4.905 4.449 0.456 1
1 1033 . 17 1 1 A 94 94 TRP CA C 94 56.770 58.873 -2.103 1
1 1034 . 17 1 1 A 94 94 TRP CB C 94 27.900 30.569 -2.669 1
1 1039 . 17 1 1 A 94 94 TRP N N 94 120.449 123.665 -3.216 1
1 1041 . 17 1 1 A 95 95 GLY H H 95 7.795 7.571 0.224 1
1 1042 . 17 1 1 A 95 95 GLY HA2 H 95 3.953 3.704 0.249 1
1 1043 . 17 1 1 A 95 95 GLY HA3 H 95 3.763 3.805 -0.042 1
1 1044 . 17 1 1 A 95 95 GLY CA C 95 45.487 47.006 -1.519 1
1 1045 . 17 1 1 A 95 95 GLY N N 95 109.481 110.295 -0.814 1
1 1046 . 17 1 1 A 96 96 THR H H 96 8.028 7.955 0.073 1
1 1047 . 17 1 1 A 96 96 THR HA H 96 4.696 4.456 0.240 1
1 1052 . 17 1 1 A 96 96 THR CA C 96 60.880 62.783 -1.903 1
1 1053 . 17 1 1 A 96 96 THR CB C 96 70.040 70.810 -0.770 1
1 1055 . 17 1 1 A 96 96 THR N N 96 112.538 113.542 -1.004 1
1 1056 . 17 1 1 A 97 97 GLY H H 97 8.443 7.862 0.581 1
1 1057 . 17 1 1 A 97 97 GLY HA2 H 97 3.482 4.007 -0.525 1
1 1058 . 17 1 1 A 97 97 GLY HA3 H 97 3.862 4.025 -0.163 1
1 1059 . 17 1 1 A 97 97 GLY CA C 97 45.945 45.277 0.668 1
1 1060 . 17 1 1 A 97 97 GLY N N 97 111.464 111.628 -0.164 1
1 1061 . 17 1 1 A 98 98 GLU H H 98 8.010 8.012 -0.002 1
1 1062 . 17 1 1 A 98 98 GLU HA H 98 4.471 4.326 0.145 1
1 1067 . 17 1 1 A 98 98 GLU CA C 98 54.730 56.921 -2.191 1
1 1068 . 17 1 1 A 98 98 GLU CB C 98 30.719 30.813 -0.094 1
1 1070 . 17 1 1 A 98 98 GLU N N 98 118.563 121.378 -2.815 1
1 1071 . 17 1 1 A 99 99 ASP H H 99 8.680 8.471 0.209 1
1 1072 . 17 1 1 A 99 99 ASP HA H 99 4.612 5.138 -0.526 1
1 1075 . 17 1 1 A 99 99 ASP CA C 99 54.451 54.589 -0.138 1
1 1076 . 17 1 1 A 99 99 ASP CB C 99 39.540 40.852 -1.312 1
1 1077 . 17 1 1 A 99 99 ASP N N 99 122.219 122.869 -0.650 1
1 1078 . 17 1 1 A 100 100 VAL H H 100 8.215 8.879 -0.664 1
1 1079 . 17 1 1 A 100 100 VAL HA H 100 4.495 4.925 -0.430 1
1 1087 . 17 1 1 A 100 100 VAL CA C 100 60.920 59.578 1.342 1
1 1088 . 17 1 1 A 100 100 VAL CB C 100 34.150 35.170 -1.020 1
1 1091 . 17 1 1 A 100 100 VAL N N 100 123.901 123.010 0.891 1
1 1092 . 17 1 1 A 101 101 LYS H H 101 8.600 8.476 0.124 1
1 1093 . 17 1 1 A 101 101 LYS HA H 101 5.112 5.168 -0.056 1
1 1102 . 17 1 1 A 101 101 LYS CA C 101 54.718 54.804 -0.086 1
1 1103 . 17 1 1 A 101 101 LYS CB C 101 35.326 34.912 0.414 1
1 1107 . 17 1 1 A 101 101 LYS N N 101 126.635 127.898 -1.263 1
1 1108 . 17 1 1 A 102 102 VAL H H 102 9.209 8.815 0.394 1
1 1109 . 17 1 1 A 102 102 VAL HA H 102 5.405 4.827 0.578 1
1 1117 . 17 1 1 A 102 102 VAL CA C 102 59.950 61.086 -1.136 1
1 1118 . 17 1 1 A 102 102 VAL CB C 102 34.420 35.454 -1.034 1
1 1121 . 17 1 1 A 102 102 VAL N N 102 125.573 125.928 -0.355 1
1 1122 . 17 1 1 A 103 103 ILE H H 103 8.968 9.157 -0.189 1
1 1123 . 17 1 1 A 103 103 ILE HA H 103 4.671 4.959 -0.288 1
1 1133 . 17 1 1 A 103 103 ILE CA C 103 59.790 59.611 0.179 1
1 1134 . 17 1 1 A 103 103 ILE CB C 103 42.522 41.937 0.585 1
1 1138 . 17 1 1 A 103 103 ILE N N 103 125.593 126.776 -1.183 1
1 1139 . 17 1 1 A 104 104 LEU H H 104 9.017 9.126 -0.109 1
1 1140 . 17 1 1 A 104 104 LEU HA H 104 5.361 5.119 0.242 1
1 1150 . 17 1 1 A 104 104 LEU CA C 104 52.800 53.152 -0.352 1
1 1151 . 17 1 1 A 104 104 LEU CB C 104 46.200 43.266 2.934 1
1 1155 . 17 1 1 A 104 104 LEU N N 104 127.791 126.703 1.088 1
1 1156 . 17 1 1 A 105 105 LYS H H 105 9.674 8.904 0.770 1
1 1157 . 17 1 1 A 105 105 LYS HA H 105 5.194 5.026 0.168 1
1 1166 . 17 1 1 A 105 105 LYS CA C 105 53.780 54.409 -0.629 1
1 1167 . 17 1 1 A 105 105 LYS CB C 105 36.330 35.584 0.746 1
1 1171 . 17 1 1 A 105 105 LYS N N 105 126.536 123.743 2.793 1
1 1172 . 17 1 1 A 106 106 ASN H H 106 7.774 8.670 -0.896 1
1 1173 . 17 1 1 A 106 106 ASN HA H 106 2.714 5.053 -2.339 1
1 1178 . 17 1 1 A 106 106 ASN CA C 106 49.530 53.769 -4.239 1
1 1179 . 17 1 1 A 106 106 ASN CB C 106 36.940 39.683 -2.743 1
1 1180 . 17 1 1 A 106 106 ASN N N 106 116.550 121.100 -4.550 1
1 1182 . 17 1 1 A 107 107 SER H H 107 6.988 9.227 -2.239 1
1 1183 . 17 1 1 A 107 107 SER HA H 107 4.092 4.435 -0.343 1
1 1186 . 17 1 1 A 107 107 SER CA C 107 60.490 59.367 1.123 1
1 1187 . 17 1 1 A 107 107 SER CB C 107 62.510 62.831 -0.321 1
1 1188 . 17 1 1 A 107 107 SER N N 107 112.400 118.630 -6.230 1
1 1189 . 17 1 1 A 108 108 GLN H H 108 7.414 7.731 -0.317 1
1 1190 . 17 1 1 A 108 108 GLN HA H 108 4.404 4.424 -0.020 1
1 1197 . 17 1 1 A 108 108 GLN CA C 108 55.470 55.420 0.050 1
1 1198 . 17 1 1 A 108 108 GLN CB C 108 28.400 29.383 -0.983 1
1 1200 . 17 1 1 A 108 108 GLN N N 108 119.000 117.670 1.330 1
1 1202 . 17 1 1 A 109 109 GLY H H 109 7.835 8.405 -0.570 1
1 1203 . 17 1 1 A 109 109 GLY HA2 H 109 4.136 3.939 0.197 1
1 1204 . 17 1 1 A 109 109 GLY HA3 H 109 3.530 3.942 -0.412 1
1 1205 . 17 1 1 A 109 109 GLY CA C 109 45.549 46.172 -0.623 1
1 1206 . 17 1 1 A 109 109 GLY N N 109 107.333 108.429 -1.096 1
1 1207 . 17 1 1 A 110 110 GLU H H 110 7.562 7.417 0.145 1
1 1208 . 17 1 1 A 110 110 GLU HA H 110 4.209 4.961 -0.752 1
1 1213 . 17 1 1 A 110 110 GLU CA C 110 54.320 54.818 -0.498 1
1 1214 . 17 1 1 A 110 110 GLU CB C 110 29.760 32.310 -2.550 1
1 1216 . 17 1 1 A 110 110 GLU N N 110 120.137 116.015 4.122 1
1 1217 . 17 1 1 A 111 111 GLU H H 111 8.799 8.837 -0.038 1
1 1218 . 17 1 1 A 111 111 GLU HA H 111 4.194 4.562 -0.368 1
1 1223 . 17 1 1 A 111 111 GLU CA C 111 57.160 56.476 0.684 1
1 1224 . 17 1 1 A 111 111 GLU CB C 111 29.175 30.732 -1.557 1
1 1226 . 17 1 1 A 111 111 GLU N N 111 123.867 125.400 -1.533 1
1 1227 . 17 1 1 A 112 112 VAL H H 112 9.093 8.565 0.528 1
1 1228 . 17 1 1 A 112 112 VAL HA H 112 4.330 4.125 0.205 1
1 1236 . 17 1 1 A 112 112 VAL CA C 112 61.529 63.508 -1.979 1
1 1237 . 17 1 1 A 112 112 VAL CB C 112 33.230 33.029 0.201 1
1 1240 . 17 1 1 A 112 112 VAL N N 112 122.642 127.250 -4.608 1
1 1241 . 17 1 1 A 113 113 ALA H H 113 7.793 7.475 0.318 1
1 1242 . 17 1 1 A 113 113 ALA HA H 113 4.770 4.666 0.104 1
1 1246 . 17 1 1 A 113 113 ALA CA C 113 52.449 50.330 2.119 1
1 1247 . 17 1 1 A 113 113 ALA CB C 113 22.400 21.737 0.663 1
1 1248 . 17 1 1 A 113 113 ALA N N 113 121.070 120.684 0.386 1
1 1249 . 17 1 1 A 114 114 GLN H H 114 8.450 9.061 -0.611 1
1 1250 . 17 1 1 A 114 114 GLN HA H 114 5.404 5.277 0.127 1
1 1257 . 17 1 1 A 114 114 GLN CA C 114 54.830 54.099 0.731 1
1 1258 . 17 1 1 A 114 114 GLN CB C 114 32.307 32.621 -0.314 1
1 1260 . 17 1 1 A 114 114 GLN N N 114 115.851 116.901 -1.050 1
1 1262 . 17 1 1 A 115 115 ARG H H 115 8.989 8.616 0.373 1
1 1263 . 17 1 1 A 115 115 ARG HA H 115 4.555 4.712 -0.157 1
1 1270 . 17 1 1 A 115 115 ARG CA C 115 56.350 55.760 0.590 1
1 1271 . 17 1 1 A 115 115 ARG CB C 115 33.730 34.253 -0.523 1
1 1274 . 17 1 1 A 115 115 ARG N N 115 122.920 121.509 1.411 1
1 1275 . 17 1 1 A 116 116 SER H H 116 8.511 8.844 -0.333 1
1 1276 . 17 1 1 A 116 116 SER HA H 116 5.756 5.466 0.290 1
1 1279 . 17 1 1 A 116 116 SER CA C 116 56.400 55.632 0.768 1
1 1280 . 17 1 1 A 116 116 SER CB C 116 65.770 66.165 -0.395 1
1 1281 . 17 1 1 A 116 116 SER N N 116 119.807 120.163 -0.356 1
1 1282 . 17 1 1 A 117 117 THR H H 117 8.801 8.651 0.150 1
1 1283 . 17 1 1 A 117 117 THR HA H 117 4.378 4.365 0.013 1
1 1288 . 17 1 1 A 117 117 THR CA C 117 62.160 62.341 -0.181 1
1 1289 . 17 1 1 A 117 117 THR CB C 117 70.010 68.792 1.218 1
1 1291 . 17 1 1 A 117 117 THR N N 117 116.435 114.364 2.071 1
1 1292 . 17 1 1 A 118 118 VAL H H 118 8.165 8.424 -0.259 1
1 1293 . 17 1 1 A 118 118 VAL HA H 118 4.227 4.087 0.140 1
1 1301 . 17 1 1 A 118 118 VAL CA C 118 61.320 62.610 -1.290 1
1 1302 . 17 1 1 A 118 118 VAL CB C 118 32.931 32.060 0.871 1
1 1305 . 17 1 1 A 118 118 VAL N N 118 122.111 127.281 -5.170 1
1 1306 . 17 1 1 A 119 119 PHE H H 119 8.580 8.137 0.443 1
1 1307 . 17 1 1 A 119 119 PHE HA H 119 4.655 4.583 0.072 1
1 1314 . 17 1 1 A 119 119 PHE CA C 119 57.520 57.333 0.187 1
1 1315 . 17 1 1 A 119 119 PHE CB C 119 39.550 39.622 -0.072 1
1 1320 . 17 1 1 A 119 119 PHE N N 119 126.006 127.305 -1.299 1
1 1321 . 17 1 1 A 120 120 LYS H H 120 8.346 8.875 -0.529 1
1 1322 . 17 1 1 A 120 120 LYS HA H 120 4.432 5.062 -0.630 1
1 1331 . 17 1 1 A 120 120 LYS CA C 120 55.740 54.672 1.068 1
1 1332 . 17 1 1 A 120 120 LYS CB C 120 33.290 36.061 -2.771 1
1 1336 . 17 1 1 A 120 120 LYS N N 120 124.095 122.578 1.517 1
1 1337 . 17 1 1 A 121 121 THR H H 121 8.294 8.806 -0.512 1
1 1338 . 17 1 1 A 121 121 THR HA H 121 4.394 5.196 -0.802 1
1 1343 . 17 1 1 A 121 121 THR CA C 121 61.610 60.824 0.786 1
1 1344 . 17 1 1 A 121 121 THR CB C 121 69.640 70.224 -0.584 1
1 1346 . 17 1 1 A 121 121 THR N N 121 116.359 116.735 -0.376 1
1 1 . 18 1 1 A 3 3 HIS H H 3 8.528 7.681 0.847 1
1 2 . 18 1 1 A 3 3 HIS HA H 3 4.626 4.630 -0.004 1
1 5 . 18 1 1 A 3 3 HIS CA C 3 55.260 54.937 0.323 1
1 6 . 18 1 1 A 3 3 HIS CB C 3 29.250 28.851 0.399 1
1 7 . 18 1 1 A 3 3 HIS N N 3 118.990 117.856 1.134 1
1 8 . 18 1 1 A 4 4 HIS H H 4 8.528 8.969 -0.441 1
1 9 . 18 1 1 A 4 4 HIS HA H 4 4.624 4.568 0.056 1
1 12 . 18 1 1 A 4 4 HIS CA C 4 55.277 55.794 -0.517 1
1 13 . 18 1 1 A 4 4 HIS CB C 4 29.002 30.924 -1.922 1
1 14 . 18 1 1 A 4 4 HIS N N 4 118.990 123.552 -4.562 1
1 15 . 18 1 1 A 5 5 HIS H H 5 8.579 8.840 -0.261 1
1 16 . 18 1 1 A 5 5 HIS HA H 5 4.737 4.854 -0.117 1
1 19 . 18 1 1 A 5 5 HIS CA C 5 55.330 53.626 1.704 1
1 20 . 18 1 1 A 5 5 HIS CB C 5 29.257 32.687 -3.430 1
1 21 . 18 1 1 A 5 5 HIS N N 5 119.720 120.033 -0.313 1
1 22 . 18 1 1 A 6 6 HIS H H 6 8.603 9.058 -0.455 1
1 23 . 18 1 1 A 6 6 HIS HA H 6 4.674 4.565 0.109 1
1 26 . 18 1 1 A 6 6 HIS CA C 6 55.150 57.922 -2.772 1
1 27 . 18 1 1 A 6 6 HIS CB C 6 27.340 30.123 -2.783 1
1 28 . 18 1 1 A 6 6 HIS N N 6 121.420 121.546 -0.126 1
1 29 . 18 1 1 A 7 7 HIS H H 7 8.706 7.877 0.829 1
1 30 . 18 1 1 A 7 7 HIS HA H 7 4.658 4.746 -0.088 1
1 33 . 18 1 1 A 7 7 HIS CA C 7 55.100 54.953 0.147 1
1 34 . 18 1 1 A 7 7 HIS CB C 7 29.300 30.847 -1.547 1
1 35 . 18 1 1 A 7 7 HIS N N 7 121.200 111.878 9.322 1
1 36 . 18 1 1 A 8 8 HIS H H 8 8.706 8.515 0.191 1
1 37 . 18 1 1 A 8 8 HIS HA H 8 4.706 5.437 -0.731 1
1 40 . 18 1 1 A 8 8 HIS CA C 8 55.156 53.196 1.960 1
1 41 . 18 1 1 A 8 8 HIS CB C 8 29.396 33.163 -3.767 1
1 42 . 18 1 1 A 8 8 HIS N N 8 121.200 117.104 4.096 1
1 43 . 18 1 1 A 9 9 SER H H 9 8.551 8.787 -0.236 1
1 44 . 18 1 1 A 9 9 SER HA H 9 4.450 4.935 -0.485 1
1 47 . 18 1 1 A 9 9 SER CA C 9 58.200 56.376 1.824 1
1 48 . 18 1 1 A 9 9 SER CB C 9 63.740 65.014 -1.274 1
1 49 . 18 1 1 A 9 9 SER N N 9 118.046 114.624 3.422 1
1 50 . 18 1 1 A 10 10 HIS H H 10 8.770 8.981 -0.211 1
1 51 . 18 1 1 A 10 10 HIS HA H 10 4.726 5.097 -0.371 1
1 54 . 18 1 1 A 10 10 HIS CA C 10 55.640 54.560 1.080 1
1 55 . 18 1 1 A 10 10 HIS CB C 10 29.172 31.988 -2.816 1
1 56 . 18 1 1 A 10 10 HIS N N 10 120.412 120.281 0.131 1
1 57 . 18 1 1 A 11 11 MET H H 11 8.528 8.878 -0.350 1
1 58 . 18 1 1 A 11 11 MET HA H 11 4.658 4.680 -0.022 1
1 66 . 18 1 1 A 11 11 MET CA C 11 55.438 53.965 1.473 1
1 67 . 18 1 1 A 11 11 MET CB C 11 33.090 32.562 0.528 1
1 70 . 18 1 1 A 11 11 MET N N 11 122.400 122.175 0.225 1
1 71 . 18 1 1 A 12 12 THR H H 12 8.339 8.637 -0.298 1
1 72 . 18 1 1 A 12 12 THR HA H 12 4.450 4.385 0.065 1
1 77 . 18 1 1 A 12 12 THR CA C 12 61.810 62.525 -0.715 1
1 78 . 18 1 1 A 12 12 THR CB C 12 70.450 69.222 1.228 1
1 80 . 18 1 1 A 12 12 THR N N 12 115.700 115.320 0.380 1
1 81 . 18 1 1 A 13 13 GLY H H 13 8.426 8.120 0.306 1
1 82 . 18 1 1 A 13 13 GLY HA2 H 13 4.287 3.947 0.340 1
1 83 . 18 1 1 A 13 13 GLY HA3 H 13 3.877 3.980 -0.103 1
1 84 . 18 1 1 A 13 13 GLY CA C 13 45.243 46.814 -1.571 1
1 85 . 18 1 1 A 13 13 GLY N N 13 110.872 110.503 0.369 1
1 86 . 18 1 1 A 14 14 ASN H H 14 8.374 9.254 -0.880 1
1 87 . 18 1 1 A 14 14 ASN HA H 14 4.720 5.158 -0.438 1
1 92 . 18 1 1 A 14 14 ASN CA C 14 54.200 52.451 1.749 1
1 93 . 18 1 1 A 14 14 ASN CB C 14 39.210 38.682 0.528 1
1 94 . 18 1 1 A 14 14 ASN N N 14 117.789 124.145 -6.356 1
1 96 . 18 1 1 A 15 15 VAL H H 15 7.890 8.793 -0.903 1
1 97 . 18 1 1 A 15 15 VAL HA H 15 4.843 4.677 0.166 1
1 105 . 18 1 1 A 15 15 VAL CA C 15 61.759 61.263 0.496 1
1 106 . 18 1 1 A 15 15 VAL CB C 15 33.230 32.853 0.377 1
1 109 . 18 1 1 A 15 15 VAL N N 15 118.720 125.325 -6.605 1
1 110 . 18 1 1 A 16 16 CYS H H 16 9.060 8.800 0.260 1
1 111 . 18 1 1 A 16 16 CYS HA H 16 4.899 5.198 -0.299 1
1 114 . 18 1 1 A 16 16 CYS CA C 16 54.620 56.523 -1.903 1
1 115 . 18 1 1 A 16 16 CYS CB C 16 30.900 31.718 -0.818 1
1 116 . 18 1 1 A 16 16 CYS N N 16 122.674 124.189 -1.515 1
1 117 . 18 1 1 A 17 17 ILE H H 17 8.845 8.695 0.150 1
1 118 . 18 1 1 A 17 17 ILE HA H 17 4.153 4.003 0.150 1
1 128 . 18 1 1 A 17 17 ILE CA C 17 61.080 62.404 -1.324 1
1 129 . 18 1 1 A 17 17 ILE CB C 17 36.397 37.395 -0.998 1
1 133 . 18 1 1 A 17 17 ILE N N 17 122.609 122.821 -0.212 1
1 134 . 18 1 1 A 18 18 GLU H H 18 8.917 9.079 -0.162 1
1 135 . 18 1 1 A 18 18 GLU HA H 18 4.230 4.127 0.103 1
1 140 . 18 1 1 A 18 18 GLU CA C 18 57.160 58.792 -1.632 1
1 141 . 18 1 1 A 18 18 GLU CB C 18 30.550 30.898 -0.348 1
1 143 . 18 1 1 A 18 18 GLU N N 18 130.894 130.091 0.803 1
1 144 . 18 1 1 A 19 19 GLU H H 19 7.853 7.360 0.493 1
1 145 . 18 1 1 A 19 19 GLU HA H 19 4.470 4.662 -0.192 1
1 150 . 18 1 1 A 19 19 GLU CA C 19 56.110 56.060 0.050 1
1 151 . 18 1 1 A 19 19 GLU CB C 19 33.847 33.127 0.720 1
1 153 . 18 1 1 A 19 19 GLU N N 19 115.069 117.606 -2.537 1
1 154 . 18 1 1 A 20 20 ILE H H 20 8.744 8.887 -0.143 1
1 155 . 18 1 1 A 20 20 ILE HA H 20 4.080 4.495 -0.415 1
1 165 . 18 1 1 A 20 20 ILE CA C 20 60.619 60.000 0.619 1
1 166 . 18 1 1 A 20 20 ILE CB C 20 39.170 38.819 0.351 1
1 170 . 18 1 1 A 20 20 ILE N N 20 127.309 123.749 3.560 1
1 171 . 18 1 1 A 21 21 ASP H H 21 7.468 8.241 -0.773 1
1 172 . 18 1 1 A 21 21 ASP HA H 21 3.949 4.104 -0.155 1
1 175 . 18 1 1 A 21 21 ASP CA C 21 54.970 54.307 0.663 1
1 176 . 18 1 1 A 21 21 ASP CB C 21 42.170 41.977 0.193 1
1 177 . 18 1 1 A 21 21 ASP N N 21 124.858 125.627 -0.769 1
1 178 . 18 1 1 A 22 22 VAL H H 22 8.650 8.390 0.260 1
1 179 . 18 1 1 A 22 22 VAL HA H 22 3.998 3.846 0.152 1
1 187 . 18 1 1 A 22 22 VAL CA C 22 64.445 64.558 -0.113 1
1 188 . 18 1 1 A 22 22 VAL CB C 22 31.244 31.826 -0.582 1
1 191 . 18 1 1 A 22 22 VAL N N 22 130.172 125.549 4.623 1
1 192 . 18 1 1 A 23 23 ASP H H 23 7.482 7.603 -0.121 1
1 193 . 18 1 1 A 23 23 ASP HA H 23 4.711 4.604 0.107 1
1 196 . 18 1 1 A 23 23 ASP CA C 23 53.920 54.236 -0.316 1
1 197 . 18 1 1 A 23 23 ASP CB C 23 40.100 41.571 -1.471 1
1 198 . 18 1 1 A 23 23 ASP N N 23 118.547 119.363 -0.816 1
1 199 . 18 1 1 A 24 24 GLY H H 24 7.220 7.594 -0.374 1
1 200 . 18 1 1 A 24 24 GLY HA2 H 24 2.950 3.764 -0.814 1
1 201 . 18 1 1 A 24 24 GLY HA3 H 24 2.407 3.780 -1.373 1
1 202 . 18 1 1 A 24 24 GLY CA C 24 45.040 44.708 0.332 1
1 203 . 18 1 1 A 24 24 GLY N N 24 105.293 106.928 -1.635 1
1 204 . 18 1 1 A 25 25 LYS H H 25 8.757 7.780 0.977 1
1 205 . 18 1 1 A 25 25 LYS HA H 25 3.964 3.713 0.251 1
1 214 . 18 1 1 A 25 25 LYS CA C 25 56.590 56.881 -0.291 1
1 215 . 18 1 1 A 25 25 LYS CB C 25 33.660 32.623 1.037 1
1 219 . 18 1 1 A 25 25 LYS N N 25 111.753 118.108 -6.355 1
1 220 . 18 1 1 A 26 26 PHE H H 26 6.380 6.970 -0.590 1
1 221 . 18 1 1 A 26 26 PHE HA H 26 5.753 4.831 0.922 1
1 229 . 18 1 1 A 26 26 PHE CA C 26 56.370 56.150 0.220 1
1 230 . 18 1 1 A 26 26 PHE CB C 26 40.030 40.200 -0.170 1
1 236 . 18 1 1 A 26 26 PHE N N 26 110.097 114.482 -4.385 1
1 237 . 18 1 1 A 27 27 ILE H H 27 8.601 8.605 -0.004 1
1 238 . 18 1 1 A 27 27 ILE HA H 27 4.506 4.786 -0.280 1
1 248 . 18 1 1 A 27 27 ILE CA C 27 60.905 60.735 0.170 1
1 249 . 18 1 1 A 27 27 ILE CB C 27 43.249 40.512 2.737 1
1 253 . 18 1 1 A 27 27 ILE N N 27 119.676 120.227 -0.551 1
1 254 . 18 1 1 A 28 28 ARG H H 28 9.290 8.887 0.403 1
1 255 . 18 1 1 A 28 28 ARG HA H 28 5.561 5.063 0.498 1
1 262 . 18 1 1 A 28 28 ARG CA C 28 54.650 54.927 -0.277 1
1 263 . 18 1 1 A 28 28 ARG CB C 28 34.180 31.946 2.234 1
1 266 . 18 1 1 A 28 28 ARG N N 28 127.516 129.497 -1.981 1
1 267 . 18 1 1 A 29 29 LEU H H 29 9.502 9.455 0.047 1
1 268 . 18 1 1 A 29 29 LEU HA H 29 5.306 5.051 0.255 1
1 278 . 18 1 1 A 29 29 LEU CA C 29 54.010 53.290 0.720 1
1 279 . 18 1 1 A 29 29 LEU CB C 29 44.020 44.244 -0.224 1
1 283 . 18 1 1 A 29 29 LEU N N 29 126.696 127.494 -0.798 1
1 284 . 18 1 1 A 30 30 LYS H H 30 8.641 9.259 -0.618 1
1 285 . 18 1 1 A 30 30 LYS HA H 30 5.108 4.982 0.126 1
1 294 . 18 1 1 A 30 30 LYS CA C 30 54.660 54.598 0.062 1
1 295 . 18 1 1 A 30 30 LYS CB C 30 38.070 34.831 3.239 1
1 299 . 18 1 1 A 30 30 LYS N N 30 118.761 125.011 -6.250 1
1 300 . 18 1 1 A 31 31 ASN H H 31 8.397 8.268 0.129 1
1 301 . 18 1 1 A 31 31 ASN HA H 31 5.319 4.778 0.541 1
1 306 . 18 1 1 A 31 31 ASN CA C 31 50.690 52.520 -1.830 1
1 307 . 18 1 1 A 31 31 ASN CB C 31 37.490 38.399 -0.909 1
1 308 . 18 1 1 A 31 31 ASN N N 31 123.996 124.039 -0.043 1
1 310 . 18 1 1 A 32 32 THR H H 32 8.455 8.392 0.063 1
1 311 . 18 1 1 A 32 32 THR HA H 32 4.302 4.539 -0.237 1
1 316 . 18 1 1 A 32 32 THR CA C 32 61.492 61.558 -0.066 1
1 317 . 18 1 1 A 32 32 THR CB C 32 68.110 69.097 -0.987 1
1 319 . 18 1 1 A 32 32 THR N N 32 115.755 117.422 -1.667 1
1 320 . 18 1 1 A 33 33 SER H H 33 8.487 7.161 1.326 1
1 321 . 18 1 1 A 33 33 SER HA H 33 4.793 4.406 0.387 1
1 324 . 18 1 1 A 33 33 SER CA C 33 57.500 58.853 -1.353 1
1 325 . 18 1 1 A 33 33 SER CB C 33 66.510 64.339 2.171 1
1 326 . 18 1 1 A 33 33 SER N N 33 120.037 119.004 1.033 1
1 327 . 18 1 1 A 34 34 GLU H H 34 8.355 8.687 -0.332 1
1 328 . 18 1 1 A 34 34 GLU HA H 34 4.335 4.253 0.082 1
1 333 . 18 1 1 A 34 34 GLU CA C 34 55.840 58.494 -2.654 1
1 334 . 18 1 1 A 34 34 GLU CB C 34 28.930 30.922 -1.992 1
1 336 . 18 1 1 A 34 34 GLU N N 34 116.545 123.240 -6.695 1
1 337 . 18 1 1 A 35 35 GLN H H 35 8.634 7.662 0.972 1
1 338 . 18 1 1 A 35 35 GLN HA H 35 4.664 4.766 -0.102 1
1 345 . 18 1 1 A 35 35 GLN CA C 35 53.740 54.434 -0.694 1
1 346 . 18 1 1 A 35 35 GLN CB C 35 31.696 32.292 -0.596 1
1 348 . 18 1 1 A 35 35 GLN N N 35 120.013 118.734 1.279 1
1 350 . 18 1 1 A 36 36 ASP H H 36 8.859 8.482 0.377 1
1 351 . 18 1 1 A 36 36 ASP HA H 36 4.050 5.102 -1.052 1
1 354 . 18 1 1 A 36 36 ASP CA C 36 54.640 54.313 0.327 1
1 355 . 18 1 1 A 36 36 ASP CB C 36 40.120 41.065 -0.945 1
1 356 . 18 1 1 A 36 36 ASP N N 36 124.552 121.678 2.874 1
1 357 . 18 1 1 A 37 37 GLN H H 37 8.141 8.754 -0.613 1
1 358 . 18 1 1 A 37 37 GLN HA H 37 4.786 4.778 0.008 1
1 365 . 18 1 1 A 37 37 GLN CA C 37 50.858 52.299 -1.441 1
1 366 . 18 1 1 A 37 37 GLN CB C 37 31.860 30.535 1.325 1
1 368 . 18 1 1 A 37 37 GLN N N 37 120.015 122.731 -2.716 1
1 370 . 18 1 1 A 38 38 PRO HA H 38 4.367 4.524 -0.157 1
1 377 . 18 1 1 A 38 38 PRO CA C 38 63.330 62.855 0.475 1
1 378 . 18 1 1 A 38 38 PRO CB C 38 31.750 32.790 -1.040 1
1 381 . 18 1 1 A 39 39 MET H H 39 8.392 8.494 -0.102 1
1 382 . 18 1 1 A 39 39 MET HA H 39 2.792 4.096 -1.304 1
1 390 . 18 1 1 A 39 39 MET CA C 39 53.780 58.078 -4.298 1
1 391 . 18 1 1 A 39 39 MET CB C 39 34.410 33.099 1.311 1
1 394 . 18 1 1 A 39 39 MET N N 39 124.427 123.222 1.205 1
1 395 . 18 1 1 A 40 40 GLY H H 40 7.940 7.899 0.041 1
1 396 . 18 1 1 A 40 40 GLY HA2 H 40 4.154 4.011 0.143 1
1 397 . 18 1 1 A 40 40 GLY HA3 H 40 3.763 4.042 -0.279 1
1 398 . 18 1 1 A 40 40 GLY CA C 40 48.114 46.958 1.156 1
1 399 . 18 1 1 A 40 40 GLY N N 40 108.664 107.128 1.536 1
1 400 . 18 1 1 A 41 41 GLY H H 41 7.959 8.413 -0.454 1
1 401 . 18 1 1 A 41 41 GLY HA2 H 41 4.323 4.189 0.134 1
1 402 . 18 1 1 A 41 41 GLY HA3 H 41 3.769 4.301 -0.532 1
1 403 . 18 1 1 A 41 41 GLY CA C 41 46.020 44.780 1.240 1
1 404 . 18 1 1 A 41 41 GLY N N 41 114.027 112.033 1.994 1
1 405 . 18 1 1 A 42 42 TRP H H 42 8.667 9.092 -0.425 1
1 406 . 18 1 1 A 42 42 TRP HA H 42 4.408 5.539 -1.131 1
1 415 . 18 1 1 A 42 42 TRP CA C 42 58.925 55.602 3.323 1
1 416 . 18 1 1 A 42 42 TRP CB C 42 28.120 34.423 -6.303 1
1 422 . 18 1 1 A 42 42 TRP N N 42 122.097 125.519 -3.422 1
1 424 . 18 1 1 A 43 43 GLU H H 43 8.740 9.103 -0.363 1
1 425 . 18 1 1 A 43 43 GLU HA H 43 5.462 5.225 0.237 1
1 430 . 18 1 1 A 43 43 GLU CA C 43 54.410 55.661 -1.251 1
1 431 . 18 1 1 A 43 43 GLU CB C 43 33.980 33.282 0.698 1
1 433 . 18 1 1 A 43 43 GLU N N 43 120.300 121.674 -1.374 1
1 434 . 18 1 1 A 44 44 MET H H 44 9.658 9.580 0.078 1
1 435 . 18 1 1 A 44 44 MET HA H 44 5.488 5.136 0.352 1
1 443 . 18 1 1 A 44 44 MET CA C 44 53.360 54.666 -1.306 1
1 444 . 18 1 1 A 44 44 MET CB C 44 37.490 34.333 3.157 1
1 447 . 18 1 1 A 44 44 MET N N 44 126.477 127.230 -0.753 1
1 448 . 18 1 1 A 45 45 ILE H H 45 9.658 9.479 0.179 1
1 449 . 18 1 1 A 45 45 ILE HA H 45 4.781 4.726 0.055 1
1 459 . 18 1 1 A 45 45 ILE CA C 45 60.413 60.646 -0.233 1
1 460 . 18 1 1 A 45 45 ILE CB C 45 40.804 38.010 2.794 1
1 464 . 18 1 1 A 45 45 ILE N N 45 127.329 127.980 -0.651 1
1 465 . 18 1 1 A 46 46 ARG H H 46 9.217 9.395 -0.178 1
1 466 . 18 1 1 A 46 46 ARG HA H 46 5.083 4.909 0.174 1
1 474 . 18 1 1 A 46 46 ARG CA C 46 53.760 55.554 -1.794 1
1 475 . 18 1 1 A 46 46 ARG CB C 46 33.559 31.522 2.037 1
1 478 . 18 1 1 A 46 46 ARG N N 46 126.837 129.233 -2.396 1
1 480 . 18 1 1 A 47 47 LYS H H 47 9.876 8.865 1.011 1
1 481 . 18 1 1 A 47 47 LYS HA H 47 5.257 5.001 0.256 1
1 490 . 18 1 1 A 47 47 LYS CA C 47 55.260 55.393 -0.133 1
1 491 . 18 1 1 A 47 47 LYS CB C 47 34.860 33.190 1.670 1
1 495 . 18 1 1 A 47 47 LYS N N 47 132.271 127.421 4.850 1
1 496 . 18 1 1 A 48 48 ILE H H 48 7.909 8.701 -0.792 1
1 497 . 18 1 1 A 48 48 ILE HA H 48 4.360 4.440 -0.080 1
1 507 . 18 1 1 A 48 48 ILE CA C 48 61.132 59.939 1.193 1
1 508 . 18 1 1 A 48 48 ILE CB C 48 40.316 41.193 -0.877 1
1 512 . 18 1 1 A 48 48 ILE N N 48 125.793 124.472 1.321 1
1 513 . 18 1 1 A 49 49 GLY H H 49 9.576 9.355 0.221 1
1 514 . 18 1 1 A 49 49 GLY HA2 H 49 4.021 3.852 0.169 1
1 515 . 18 1 1 A 49 49 GLY HA3 H 49 3.730 3.861 -0.131 1
1 516 . 18 1 1 A 49 49 GLY CA C 49 46.910 46.576 0.334 1
1 517 . 18 1 1 A 49 49 GLY N N 49 120.665 117.161 3.504 1
1 518 . 18 1 1 A 50 50 ASP H H 50 8.935 8.613 0.322 1
1 519 . 18 1 1 A 50 50 ASP HA H 50 4.777 4.344 0.433 1
1 522 . 18 1 1 A 50 50 ASP CA C 50 54.000 55.628 -1.628 1
1 523 . 18 1 1 A 50 50 ASP CB C 50 40.520 40.692 -0.172 1
1 524 . 18 1 1 A 50 50 ASP N N 50 126.343 117.961 8.382 1
1 525 . 18 1 1 A 51 51 THR H H 51 8.253 7.600 0.653 1
1 526 . 18 1 1 A 51 51 THR HA H 51 4.638 4.760 -0.122 1
1 531 . 18 1 1 A 51 51 THR CA C 51 61.690 59.331 2.359 1
1 532 . 18 1 1 A 51 51 THR CB C 51 71.080 71.252 -0.172 1
1 534 . 18 1 1 A 51 51 THR N N 51 115.167 115.132 0.035 1
1 535 . 18 1 1 A 52 52 SER H H 52 8.710 9.024 -0.314 1
1 536 . 18 1 1 A 52 52 SER HA H 52 5.318 5.577 -0.259 1
1 539 . 18 1 1 A 52 52 SER CA C 52 57.290 56.572 0.718 1
1 540 . 18 1 1 A 52 52 SER CB C 52 64.730 66.710 -1.980 1
1 541 . 18 1 1 A 52 52 SER N N 52 121.442 116.393 5.049 1
1 542 . 18 1 1 A 53 53 VAL H H 53 8.448 8.650 -0.202 1
1 543 . 18 1 1 A 53 53 VAL HA H 53 4.650 4.720 -0.070 1
1 551 . 18 1 1 A 53 53 VAL CA C 53 60.449 60.404 0.045 1
1 552 . 18 1 1 A 53 53 VAL CB C 53 35.105 35.380 -0.275 1
1 555 . 18 1 1 A 53 53 VAL N N 53 121.387 120.634 0.753 1
1 556 . 18 1 1 A 54 54 SER H H 54 8.761 9.126 -0.365 1
1 557 . 18 1 1 A 54 54 SER HA H 54 5.760 6.134 -0.374 1
1 560 . 18 1 1 A 54 54 SER CA C 54 57.180 56.020 1.160 1
1 561 . 18 1 1 A 54 54 SER CB C 54 65.910 66.079 -0.169 1
1 562 . 18 1 1 A 54 54 SER N N 54 118.025 123.527 -5.502 1
1 563 . 18 1 1 A 55 55 TYR H H 55 9.340 9.099 0.241 1
1 564 . 18 1 1 A 55 55 TYR HA H 55 4.175 4.781 -0.606 1
1 571 . 18 1 1 A 55 55 TYR CA C 55 57.100 56.349 0.751 1
1 572 . 18 1 1 A 55 55 TYR CB C 55 39.870 40.689 -0.819 1
1 577 . 18 1 1 A 55 55 TYR N N 55 128.024 123.994 4.030 1
1 578 . 18 1 1 A 56 56 LYS H H 56 7.551 8.094 -0.543 1
1 579 . 18 1 1 A 56 56 LYS HA H 56 4.890 4.508 0.382 1
1 588 . 18 1 1 A 56 56 LYS CA C 56 54.117 55.569 -1.452 1
1 589 . 18 1 1 A 56 56 LYS CB C 56 33.610 33.446 0.164 1
1 593 . 18 1 1 A 56 56 LYS N N 56 127.706 129.281 -1.575 1
1 594 . 18 1 1 A 57 57 TYR H H 57 8.247 9.296 -1.049 1
1 595 . 18 1 1 A 57 57 TYR HA H 57 3.996 4.801 -0.805 1
1 602 . 18 1 1 A 57 57 TYR CA C 57 59.032 58.011 1.021 1
1 603 . 18 1 1 A 57 57 TYR CB C 57 39.390 40.229 -0.839 1
1 608 . 18 1 1 A 57 57 TYR N N 57 124.225 126.906 -2.681 1
1 609 . 18 1 1 A 58 58 THR H H 58 8.722 8.875 -0.153 1
1 610 . 18 1 1 A 58 58 THR HA H 58 4.259 5.134 -0.875 1
1 615 . 18 1 1 A 58 58 THR CA C 58 62.250 59.963 2.287 1
1 616 . 18 1 1 A 58 58 THR CB C 58 69.280 71.486 -2.206 1
1 618 . 18 1 1 A 58 58 THR N N 58 116.096 114.950 1.146 1
1 619 . 18 1 1 A 59 59 SER H H 59 8.402 8.640 -0.238 1
1 620 . 18 1 1 A 59 59 SER HA H 59 4.050 4.463 -0.413 1
1 623 . 18 1 1 A 59 59 SER CA C 59 61.680 59.047 2.633 1
1 624 . 18 1 1 A 59 59 SER CB C 59 63.210 63.290 -0.080 1
1 625 . 18 1 1 A 59 59 SER N N 59 114.556 119.279 -4.723 1
1 626 . 18 1 1 A 60 60 ARG H H 60 8.176 8.504 -0.328 1
1 627 . 18 1 1 A 60 60 ARG HA H 60 4.489 4.238 0.251 1
1 634 . 18 1 1 A 60 60 ARG CA C 60 54.960 57.805 -2.845 1
1 635 . 18 1 1 A 60 60 ARG CB C 60 29.846 29.919 -0.073 1
1 638 . 18 1 1 A 60 60 ARG N N 60 118.244 121.393 -3.149 1
1 639 . 18 1 1 A 61 61 TYR H H 61 7.617 7.602 0.015 1
1 640 . 18 1 1 A 61 61 TYR HA H 61 3.897 5.223 -1.326 1
1 647 . 18 1 1 A 61 61 TYR CA C 61 61.930 56.323 5.607 1
1 648 . 18 1 1 A 61 61 TYR CB C 61 38.670 40.907 -2.237 1
1 653 . 18 1 1 A 61 61 TYR N N 61 122.301 116.249 6.052 1
1 654 . 18 1 1 A 62 62 VAL H H 62 7.363 8.897 -1.534 1
1 655 . 18 1 1 A 62 62 VAL HA H 62 3.893 4.454 -0.561 1
1 663 . 18 1 1 A 62 62 VAL CA C 62 60.590 61.251 -0.661 1
1 664 . 18 1 1 A 62 62 VAL CB C 62 35.270 33.385 1.885 1
1 667 . 18 1 1 A 62 62 VAL N N 62 129.952 121.040 8.912 1
1 668 . 18 1 1 A 63 63 LEU H H 63 7.852 9.032 -1.180 1
1 669 . 18 1 1 A 63 63 LEU HA H 63 4.558 4.739 -0.181 1
1 679 . 18 1 1 A 63 63 LEU CA C 63 51.980 53.969 -1.989 1
1 680 . 18 1 1 A 63 63 LEU CB C 63 42.600 41.473 1.127 1
1 684 . 18 1 1 A 63 63 LEU N N 63 128.635 128.713 -0.078 1
1 685 . 18 1 1 A 64 64 LYS H H 64 8.770 8.652 0.118 1
1 686 . 18 1 1 A 64 64 LYS HA H 64 3.722 4.357 -0.635 1
1 695 . 18 1 1 A 64 64 LYS CA C 64 57.360 55.703 1.657 1
1 696 . 18 1 1 A 64 64 LYS CB C 64 32.381 32.674 -0.293 1
1 700 . 18 1 1 A 64 64 LYS N N 64 130.633 125.195 5.438 1
1 701 . 18 1 1 A 65 65 ALA H H 65 8.628 8.647 -0.019 1
1 702 . 18 1 1 A 65 65 ALA HA H 65 3.557 3.991 -0.434 1
1 706 . 18 1 1 A 65 65 ALA CA C 65 53.700 53.828 -0.128 1
1 707 . 18 1 1 A 65 65 ALA CB C 65 18.660 18.457 0.203 1
1 708 . 18 1 1 A 65 65 ALA N N 65 123.214 126.324 -3.110 1
1 709 . 18 1 1 A 66 66 GLY H H 66 7.505 8.777 -1.272 1
1 710 . 18 1 1 A 66 66 GLY HA2 H 66 4.020 3.994 0.026 1
1 711 . 18 1 1 A 66 66 GLY HA3 H 66 4.020 3.997 0.023 1
1 712 . 18 1 1 A 66 66 GLY CA C 66 46.864 45.150 1.714 1
1 713 . 18 1 1 A 66 66 GLY N N 66 112.913 111.037 1.876 1
1 714 . 18 1 1 A 67 67 GLN H H 67 8.136 7.720 0.416 1
1 715 . 18 1 1 A 67 67 GLN HA H 67 4.436 4.318 0.118 1
1 722 . 18 1 1 A 67 67 GLN CA C 67 55.029 56.043 -1.014 1
1 723 . 18 1 1 A 67 67 GLN CB C 67 29.700 29.933 -0.233 1
1 725 . 18 1 1 A 67 67 GLN N N 67 118.759 121.785 -3.026 1
1 727 . 18 1 1 A 68 68 THR H H 68 8.066 8.539 -0.473 1
1 728 . 18 1 1 A 68 68 THR HA H 68 5.414 5.416 -0.002 1
1 733 . 18 1 1 A 68 68 THR CA C 68 60.050 59.642 0.408 1
1 734 . 18 1 1 A 68 68 THR CB C 68 72.052 71.781 0.271 1
1 736 . 18 1 1 A 68 68 THR N N 68 111.842 115.739 -3.897 1
1 737 . 18 1 1 A 69 69 VAL H H 69 8.780 9.092 -0.312 1
1 738 . 18 1 1 A 69 69 VAL HA H 69 4.989 4.967 0.022 1
1 746 . 18 1 1 A 69 69 VAL CA C 69 59.265 59.816 -0.551 1
1 747 . 18 1 1 A 69 69 VAL CB C 69 33.600 34.251 -0.651 1
1 750 . 18 1 1 A 69 69 VAL N N 69 120.958 121.928 -0.970 1
1 751 . 18 1 1 A 70 70 THR H H 70 8.660 9.095 -0.435 1
1 752 . 18 1 1 A 70 70 THR HA H 70 4.618 4.702 -0.084 1
1 757 . 18 1 1 A 70 70 THR CA C 70 61.730 61.937 -0.207 1
1 758 . 18 1 1 A 70 70 THR CB C 70 69.550 69.193 0.357 1
1 760 . 18 1 1 A 70 70 THR N N 70 125.533 124.869 0.664 1
1 761 . 18 1 1 A 71 71 ILE H H 71 8.994 9.220 -0.226 1
1 762 . 18 1 1 A 71 71 ILE HA H 71 4.369 4.869 -0.500 1
1 772 . 18 1 1 A 71 71 ILE CA C 71 59.162 60.596 -1.434 1
1 773 . 18 1 1 A 71 71 ILE CB C 71 36.826 37.344 -0.518 1
1 777 . 18 1 1 A 71 71 ILE N N 71 127.838 127.962 -0.124 1
1 778 . 18 1 1 A 72 72 TRP H H 72 9.270 9.127 0.143 1
1 779 . 18 1 1 A 72 72 TRP HA H 72 5.167 4.979 0.188 1
1 788 . 18 1 1 A 72 72 TRP CA C 72 56.180 57.341 -1.161 1
1 789 . 18 1 1 A 72 72 TRP CB C 72 31.490 30.750 0.740 1
1 795 . 18 1 1 A 72 72 TRP N N 72 127.112 129.294 -2.182 1
1 797 . 18 1 1 A 73 73 ALA H H 73 9.010 8.756 0.254 1
1 798 . 18 1 1 A 73 73 ALA HA H 73 4.617 5.006 -0.389 1
1 802 . 18 1 1 A 73 73 ALA CA C 73 52.110 50.199 1.911 1
1 803 . 18 1 1 A 73 73 ALA CB C 73 19.070 22.088 -3.018 1
1 804 . 18 1 1 A 73 73 ALA N N 73 122.140 123.528 -1.388 1
1 805 . 18 1 1 A 74 74 ALA H H 74 9.002 9.110 -0.108 1
1 806 . 18 1 1 A 74 74 ALA HA H 74 4.042 4.114 -0.072 1
1 810 . 18 1 1 A 74 74 ALA CA C 74 54.650 55.316 -0.666 1
1 811 . 18 1 1 A 74 74 ALA CB C 74 18.070 18.517 -0.447 1
1 812 . 18 1 1 A 74 74 ALA N N 74 123.213 121.651 1.562 1
1 813 . 18 1 1 A 75 75 ASN H H 75 8.162 7.885 0.277 1
1 814 . 18 1 1 A 75 75 ASN HA H 75 5.015 5.101 -0.086 1
1 819 . 18 1 1 A 75 75 ASN CA C 75 51.650 52.754 -1.104 1
1 820 . 18 1 1 A 75 75 ASN CB C 75 36.590 39.310 -2.720 1
1 821 . 18 1 1 A 75 75 ASN N N 75 112.259 114.263 -2.004 1
1 823 . 18 1 1 A 76 76 ALA H H 76 7.605 7.719 -0.114 1
1 824 . 18 1 1 A 76 76 ALA HA H 76 4.281 4.198 0.083 1
1 828 . 18 1 1 A 76 76 ALA CA C 76 53.203 53.844 -0.641 1
1 829 . 18 1 1 A 76 76 ALA CB C 76 20.210 19.208 1.002 1
1 830 . 18 1 1 A 76 76 ALA N N 76 120.777 123.511 -2.734 1
1 831 . 18 1 1 A 77 77 GLY H H 77 8.449 7.882 0.567 1
1 832 . 18 1 1 A 77 77 GLY HA2 H 77 3.960 3.844 0.116 1
1 833 . 18 1 1 A 77 77 GLY HA3 H 77 3.537 3.886 -0.349 1
1 834 . 18 1 1 A 77 77 GLY CA C 77 45.410 44.849 0.561 1
1 835 . 18 1 1 A 77 77 GLY N N 77 107.064 107.109 -0.045 1
1 836 . 18 1 1 A 78 78 VAL H H 78 7.286 7.432 -0.146 1
1 837 . 18 1 1 A 78 78 VAL HA H 78 3.804 4.052 -0.248 1
1 845 . 18 1 1 A 78 78 VAL CA C 78 60.736 61.536 -0.800 1
1 846 . 18 1 1 A 78 78 VAL CB C 78 33.590 32.993 0.597 1
1 849 . 18 1 1 A 78 78 VAL N N 78 120.566 118.772 1.794 1
1 850 . 18 1 1 A 79 79 THR H H 79 8.148 8.316 -0.168 1
1 851 . 18 1 1 A 79 79 THR HA H 79 4.145 4.343 -0.198 1
1 856 . 18 1 1 A 79 79 THR CA C 79 61.395 61.445 -0.050 1
1 857 . 18 1 1 A 79 79 THR CB C 79 69.620 70.230 -0.610 1
1 859 . 18 1 1 A 79 79 THR N N 79 121.617 113.360 8.257 1
1 860 . 18 1 1 A 80 80 ALA H H 80 8.593 8.532 0.061 1
1 861 . 18 1 1 A 80 80 ALA HA H 80 3.703 4.189 -0.486 1
1 865 . 18 1 1 A 80 80 ALA CA C 80 53.410 53.499 -0.089 1
1 866 . 18 1 1 A 80 80 ALA CB C 80 19.180 18.636 0.544 1
1 867 . 18 1 1 A 80 80 ALA N N 80 126.311 124.274 2.037 1
1 868 . 18 1 1 A 81 81 SER H H 81 9.101 7.652 1.449 1
1 869 . 18 1 1 A 81 81 SER HA H 81 4.747 4.750 -0.003 1
1 872 . 18 1 1 A 81 81 SER CA C 81 55.046 56.312 -1.266 1
1 873 . 18 1 1 A 81 81 SER CB C 81 62.680 63.733 -1.053 1
1 874 . 18 1 1 A 81 81 SER N N 81 114.816 112.563 2.253 1
1 875 . 18 1 1 A 82 82 PRO HA H 82 4.328 4.403 -0.075 1
1 882 . 18 1 1 A 82 82 PRO CA C 82 62.158 65.418 -3.260 1
1 883 . 18 1 1 A 82 82 PRO CB C 82 30.480 31.750 -1.270 1
1 886 . 18 1 1 A 83 83 PRO HA H 83 4.821 4.539 0.282 1
1 893 . 18 1 1 A 83 83 PRO CA C 83 64.384 63.848 0.536 1
1 894 . 18 1 1 A 83 83 PRO CB C 83 34.750 33.086 1.664 1
1 897 . 18 1 1 A 84 84 THR H H 84 8.007 7.924 0.083 1
1 898 . 18 1 1 A 84 84 THR HA H 84 4.567 3.925 0.642 1
1 903 . 18 1 1 A 84 84 THR CA C 84 64.770 65.115 -0.345 1
1 904 . 18 1 1 A 84 84 THR CB C 84 69.370 69.282 0.088 1
1 906 . 18 1 1 A 84 84 THR N N 84 114.629 113.763 0.866 1
1 907 . 18 1 1 A 85 85 ASP H H 85 7.952 7.872 0.080 1
1 908 . 18 1 1 A 85 85 ASP HA H 85 5.950 5.026 0.924 1
1 911 . 18 1 1 A 85 85 ASP CA C 85 54.110 52.919 1.191 1
1 912 . 18 1 1 A 85 85 ASP CB C 85 43.510 42.532 0.978 1
1 913 . 18 1 1 A 85 85 ASP N N 85 124.539 119.852 4.687 1
1 914 . 18 1 1 A 86 86 LEU H H 86 9.271 8.672 0.599 1
1 915 . 18 1 1 A 86 86 LEU HA H 86 4.953 5.101 -0.148 1
1 925 . 18 1 1 A 86 86 LEU CA C 86 52.230 53.567 -1.337 1
1 926 . 18 1 1 A 86 86 LEU CB C 86 44.070 44.017 0.053 1
1 930 . 18 1 1 A 86 86 LEU N N 86 124.265 120.610 3.655 1
1 931 . 18 1 1 A 87 87 ILE H H 87 8.691 9.171 -0.480 1
1 932 . 18 1 1 A 87 87 ILE HA H 87 4.802 4.582 0.220 1
1 942 . 18 1 1 A 87 87 ILE CA C 87 58.694 60.400 -1.706 1
1 943 . 18 1 1 A 87 87 ILE CB C 87 37.945 38.273 -0.328 1
1 947 . 18 1 1 A 87 87 ILE N N 87 119.475 124.929 -5.454 1
1 948 . 18 1 1 A 88 88 TRP H H 88 9.755 9.139 0.616 1
1 949 . 18 1 1 A 88 88 TRP HA H 88 4.918 4.478 0.440 1
1 958 . 18 1 1 A 88 88 TRP CA C 88 54.900 55.606 -0.706 1
1 959 . 18 1 1 A 88 88 TRP CB C 88 27.270 28.442 -1.172 1
1 965 . 18 1 1 A 88 88 TRP N N 88 132.610 130.016 2.594 1
1 967 . 18 1 1 A 89 89 LYS H H 89 8.282 8.462 -0.180 1
1 968 . 18 1 1 A 89 89 LYS HA H 89 3.996 4.242 -0.246 1
1 977 . 18 1 1 A 89 89 LYS CA C 89 58.847 59.424 -0.577 1
1 978 . 18 1 1 A 89 89 LYS CB C 89 32.360 32.355 0.005 1
1 982 . 18 1 1 A 89 89 LYS N N 89 125.513 126.370 -0.857 1
1 983 . 18 1 1 A 90 90 ASN H H 90 8.810 8.199 0.611 1
1 984 . 18 1 1 A 90 90 ASN HA H 90 4.434 4.747 -0.313 1
1 989 . 18 1 1 A 90 90 ASN CA C 90 54.010 55.249 -1.239 1
1 990 . 18 1 1 A 90 90 ASN CB C 90 37.770 39.472 -1.702 1
1 991 . 18 1 1 A 90 90 ASN N N 90 114.946 115.955 -1.009 1
1 993 . 18 1 1 A 91 91 GLN H H 91 7.546 7.929 -0.383 1
1 994 . 18 1 1 A 91 91 GLN HA H 91 4.412 4.845 -0.433 1
1 1001 . 18 1 1 A 91 91 GLN CA C 91 53.520 54.859 -1.339 1
1 1002 . 18 1 1 A 91 91 GLN CB C 91 28.470 32.407 -3.937 1
1 1004 . 18 1 1 A 91 91 GLN N N 91 117.746 117.816 -0.070 1
1 1006 . 18 1 1 A 92 92 ASN H H 92 8.451 8.683 -0.232 1
1 1007 . 18 1 1 A 92 92 ASN HA H 92 4.876 4.968 -0.092 1
1 1012 . 18 1 1 A 92 92 ASN CA C 92 52.080 53.069 -0.989 1
1 1013 . 18 1 1 A 92 92 ASN CB C 92 39.400 39.724 -0.324 1
1 1014 . 18 1 1 A 92 92 ASN N N 92 123.697 123.123 0.574 1
1 1016 . 18 1 1 A 93 93 SER H H 93 9.337 8.626 0.711 1
1 1017 . 18 1 1 A 93 93 SER HA H 93 3.977 4.568 -0.591 1
1 1020 . 18 1 1 A 93 93 SER CA C 93 58.940 58.283 0.657 1
1 1021 . 18 1 1 A 93 93 SER CB C 93 62.940 63.709 -0.769 1
1 1022 . 18 1 1 A 93 93 SER N N 93 117.010 116.577 0.433 1
1 1023 . 18 1 1 A 94 94 TRP H H 94 7.857 8.504 -0.647 1
1 1024 . 18 1 1 A 94 94 TRP HA H 94 4.905 5.562 -0.657 1
1 1033 . 18 1 1 A 94 94 TRP CA C 94 56.770 54.881 1.889 1
1 1034 . 18 1 1 A 94 94 TRP CB C 94 27.900 31.201 -3.301 1
1 1039 . 18 1 1 A 94 94 TRP N N 94 120.449 121.681 -1.232 1
1 1041 . 18 1 1 A 95 95 GLY H H 95 7.795 8.944 -1.149 1
1 1042 . 18 1 1 A 95 95 GLY HA2 H 95 3.953 4.183 -0.230 1
1 1043 . 18 1 1 A 95 95 GLY HA3 H 95 3.763 4.230 -0.467 1
1 1044 . 18 1 1 A 95 95 GLY CA C 95 45.487 44.546 0.941 1
1 1045 . 18 1 1 A 95 95 GLY N N 95 109.481 110.044 -0.563 1
1 1046 . 18 1 1 A 96 96 THR H H 96 8.028 8.260 -0.232 1
1 1047 . 18 1 1 A 96 96 THR HA H 96 4.696 4.535 0.161 1
1 1052 . 18 1 1 A 96 96 THR CA C 96 60.880 63.246 -2.366 1
1 1053 . 18 1 1 A 96 96 THR CB C 96 70.040 71.397 -1.357 1
1 1055 . 18 1 1 A 96 96 THR N N 96 112.538 117.047 -4.509 1
1 1056 . 18 1 1 A 97 97 GLY H H 97 8.443 8.234 0.209 1
1 1057 . 18 1 1 A 97 97 GLY HA2 H 97 3.482 3.930 -0.448 1
1 1058 . 18 1 1 A 97 97 GLY HA3 H 97 3.862 3.941 -0.079 1
1 1059 . 18 1 1 A 97 97 GLY CA C 97 45.945 45.022 0.923 1
1 1060 . 18 1 1 A 97 97 GLY N N 97 111.464 109.520 1.944 1
1 1061 . 18 1 1 A 98 98 GLU H H 98 8.010 7.951 0.059 1
1 1062 . 18 1 1 A 98 98 GLU HA H 98 4.471 4.343 0.128 1
1 1067 . 18 1 1 A 98 98 GLU CA C 98 54.730 57.363 -2.633 1
1 1068 . 18 1 1 A 98 98 GLU CB C 98 30.719 30.651 0.068 1
1 1070 . 18 1 1 A 98 98 GLU N N 98 118.563 121.754 -3.191 1
1 1071 . 18 1 1 A 99 99 ASP H H 99 8.680 8.491 0.189 1
1 1072 . 18 1 1 A 99 99 ASP HA H 99 4.612 5.179 -0.567 1
1 1075 . 18 1 1 A 99 99 ASP CA C 99 54.451 54.502 -0.051 1
1 1076 . 18 1 1 A 99 99 ASP CB C 99 39.540 40.690 -1.150 1
1 1077 . 18 1 1 A 99 99 ASP N N 99 122.219 122.997 -0.778 1
1 1078 . 18 1 1 A 100 100 VAL H H 100 8.215 8.559 -0.344 1
1 1079 . 18 1 1 A 100 100 VAL HA H 100 4.495 4.943 -0.448 1
1 1087 . 18 1 1 A 100 100 VAL CA C 100 60.920 60.137 0.783 1
1 1088 . 18 1 1 A 100 100 VAL CB C 100 34.150 34.330 -0.180 1
1 1091 . 18 1 1 A 100 100 VAL N N 100 123.901 124.919 -1.018 1
1 1092 . 18 1 1 A 101 101 LYS H H 101 8.600 8.786 -0.186 1
1 1093 . 18 1 1 A 101 101 LYS HA H 101 5.112 5.123 -0.011 1
1 1102 . 18 1 1 A 101 101 LYS CA C 101 54.718 54.871 -0.153 1
1 1103 . 18 1 1 A 101 101 LYS CB C 101 35.326 35.386 -0.060 1
1 1107 . 18 1 1 A 101 101 LYS N N 101 126.635 129.243 -2.608 1
1 1108 . 18 1 1 A 102 102 VAL H H 102 9.209 9.369 -0.160 1
1 1109 . 18 1 1 A 102 102 VAL HA H 102 5.405 5.163 0.242 1
1 1117 . 18 1 1 A 102 102 VAL CA C 102 59.950 59.694 0.256 1
1 1118 . 18 1 1 A 102 102 VAL CB C 102 34.420 35.397 -0.977 1
1 1121 . 18 1 1 A 102 102 VAL N N 102 125.573 125.251 0.322 1
1 1122 . 18 1 1 A 103 103 ILE H H 103 8.968 9.239 -0.271 1
1 1123 . 18 1 1 A 103 103 ILE HA H 103 4.671 4.877 -0.206 1
1 1133 . 18 1 1 A 103 103 ILE CA C 103 59.790 60.036 -0.246 1
1 1134 . 18 1 1 A 103 103 ILE CB C 103 42.522 40.502 2.020 1
1 1138 . 18 1 1 A 103 103 ILE N N 103 125.593 128.365 -2.772 1
1 1139 . 18 1 1 A 104 104 LEU H H 104 9.017 9.114 -0.097 1
1 1140 . 18 1 1 A 104 104 LEU HA H 104 5.361 5.165 0.196 1
1 1150 . 18 1 1 A 104 104 LEU CA C 104 52.800 54.067 -1.267 1
1 1151 . 18 1 1 A 104 104 LEU CB C 104 46.200 42.992 3.208 1
1 1155 . 18 1 1 A 104 104 LEU N N 104 127.791 127.125 0.666 1
1 1156 . 18 1 1 A 105 105 LYS H H 105 9.674 9.065 0.609 1
1 1157 . 18 1 1 A 105 105 LYS HA H 105 5.194 5.026 0.168 1
1 1166 . 18 1 1 A 105 105 LYS CA C 105 53.780 54.075 -0.295 1
1 1167 . 18 1 1 A 105 105 LYS CB C 105 36.330 34.610 1.720 1
1 1171 . 18 1 1 A 105 105 LYS N N 105 126.536 124.401 2.135 1
1 1172 . 18 1 1 A 106 106 ASN H H 106 7.774 9.037 -1.263 1
1 1173 . 18 1 1 A 106 106 ASN HA H 106 2.714 4.432 -1.718 1
1 1178 . 18 1 1 A 106 106 ASN CA C 106 49.530 52.086 -2.556 1
1 1179 . 18 1 1 A 106 106 ASN CB C 106 36.940 39.510 -2.570 1
1 1180 . 18 1 1 A 106 106 ASN N N 106 116.550 121.409 -4.859 1
1 1182 . 18 1 1 A 107 107 SER H H 107 6.988 8.429 -1.441 1
1 1183 . 18 1 1 A 107 107 SER HA H 107 4.092 4.049 0.043 1
1 1186 . 18 1 1 A 107 107 SER CA C 107 60.490 61.247 -0.757 1
1 1187 . 18 1 1 A 107 107 SER CB C 107 62.510 62.886 -0.376 1
1 1188 . 18 1 1 A 107 107 SER N N 107 112.400 116.893 -4.493 1
1 1189 . 18 1 1 A 108 108 GLN H H 108 7.414 7.697 -0.283 1
1 1190 . 18 1 1 A 108 108 GLN HA H 108 4.404 4.317 0.087 1
1 1197 . 18 1 1 A 108 108 GLN CA C 108 55.470 55.596 -0.126 1
1 1198 . 18 1 1 A 108 108 GLN CB C 108 28.400 29.081 -0.681 1
1 1200 . 18 1 1 A 108 108 GLN N N 108 119.000 116.743 2.257 1
1 1202 . 18 1 1 A 109 109 GLY H H 109 7.835 8.163 -0.328 1
1 1203 . 18 1 1 A 109 109 GLY HA2 H 109 4.136 3.916 0.220 1
1 1204 . 18 1 1 A 109 109 GLY HA3 H 109 3.530 3.919 -0.389 1
1 1205 . 18 1 1 A 109 109 GLY CA C 109 45.549 45.505 0.044 1
1 1206 . 18 1 1 A 109 109 GLY N N 109 107.333 108.346 -1.013 1
1 1207 . 18 1 1 A 110 110 GLU H H 110 7.562 8.002 -0.440 1
1 1208 . 18 1 1 A 110 110 GLU HA H 110 4.209 4.338 -0.129 1
1 1213 . 18 1 1 A 110 110 GLU CA C 110 54.320 56.480 -2.160 1
1 1214 . 18 1 1 A 110 110 GLU CB C 110 29.760 30.498 -0.738 1
1 1216 . 18 1 1 A 110 110 GLU N N 110 120.137 120.954 -0.817 1
1 1217 . 18 1 1 A 111 111 GLU H H 111 8.799 8.429 0.370 1
1 1218 . 18 1 1 A 111 111 GLU HA H 111 4.194 4.674 -0.480 1
1 1223 . 18 1 1 A 111 111 GLU CA C 111 57.160 55.575 1.585 1
1 1224 . 18 1 1 A 111 111 GLU CB C 111 29.175 31.082 -1.907 1
1 1226 . 18 1 1 A 111 111 GLU N N 111 123.867 123.604 0.263 1
1 1227 . 18 1 1 A 112 112 VAL H H 112 9.093 8.326 0.767 1
1 1228 . 18 1 1 A 112 112 VAL HA H 112 4.330 4.407 -0.077 1
1 1236 . 18 1 1 A 112 112 VAL CA C 112 61.529 62.156 -0.627 1
1 1237 . 18 1 1 A 112 112 VAL CB C 112 33.230 33.202 0.028 1
1 1240 . 18 1 1 A 112 112 VAL N N 112 122.642 121.459 1.183 1
1 1241 . 18 1 1 A 113 113 ALA H H 113 7.793 7.764 0.029 1
1 1242 . 18 1 1 A 113 113 ALA HA H 113 4.770 4.896 -0.126 1
1 1246 . 18 1 1 A 113 113 ALA CA C 113 52.449 51.556 0.893 1
1 1247 . 18 1 1 A 113 113 ALA CB C 113 22.400 22.629 -0.229 1
1 1248 . 18 1 1 A 113 113 ALA N N 113 121.070 121.171 -0.101 1
1 1249 . 18 1 1 A 114 114 GLN H H 114 8.450 8.968 -0.518 1
1 1250 . 18 1 1 A 114 114 GLN HA H 114 5.404 5.338 0.066 1
1 1257 . 18 1 1 A 114 114 GLN CA C 114 54.830 54.340 0.490 1
1 1258 . 18 1 1 A 114 114 GLN CB C 114 32.307 31.697 0.610 1
1 1260 . 18 1 1 A 114 114 GLN N N 114 115.851 118.067 -2.216 1
1 1262 . 18 1 1 A 115 115 ARG H H 115 8.989 8.784 0.205 1
1 1263 . 18 1 1 A 115 115 ARG HA H 115 4.555 5.031 -0.476 1
1 1270 . 18 1 1 A 115 115 ARG CA C 115 56.350 54.819 1.531 1
1 1271 . 18 1 1 A 115 115 ARG CB C 115 33.730 34.352 -0.622 1
1 1274 . 18 1 1 A 115 115 ARG N N 115 122.920 124.489 -1.569 1
1 1275 . 18 1 1 A 116 116 SER H H 116 8.511 8.785 -0.274 1
1 1276 . 18 1 1 A 116 116 SER HA H 116 5.756 5.446 0.310 1
1 1279 . 18 1 1 A 116 116 SER CA C 116 56.400 56.545 -0.145 1
1 1280 . 18 1 1 A 116 116 SER CB C 116 65.770 66.519 -0.749 1
1 1281 . 18 1 1 A 116 116 SER N N 116 119.807 116.825 2.982 1
1 1282 . 18 1 1 A 117 117 THR H H 117 8.801 8.368 0.433 1
1 1283 . 18 1 1 A 117 117 THR HA H 117 4.378 4.632 -0.254 1
1 1288 . 18 1 1 A 117 117 THR CA C 117 62.160 61.704 0.456 1
1 1289 . 18 1 1 A 117 117 THR CB C 117 70.010 70.996 -0.986 1
1 1291 . 18 1 1 A 117 117 THR N N 117 116.435 112.915 3.520 1
1 1292 . 18 1 1 A 118 118 VAL H H 118 8.165 8.408 -0.243 1
1 1293 . 18 1 1 A 118 118 VAL HA H 118 4.227 4.847 -0.620 1
1 1301 . 18 1 1 A 118 118 VAL CA C 118 61.320 59.582 1.738 1
1 1302 . 18 1 1 A 118 118 VAL CB C 118 32.931 35.020 -2.089 1
1 1305 . 18 1 1 A 118 118 VAL N N 118 122.111 120.396 1.715 1
1 1306 . 18 1 1 A 119 119 PHE H H 119 8.580 8.627 -0.047 1
1 1307 . 18 1 1 A 119 119 PHE HA H 119 4.655 4.588 0.067 1
1 1314 . 18 1 1 A 119 119 PHE CA C 119 57.520 57.724 -0.204 1
1 1315 . 18 1 1 A 119 119 PHE CB C 119 39.550 38.672 0.878 1
1 1320 . 18 1 1 A 119 119 PHE N N 119 126.006 126.669 -0.663 1
1 1321 . 18 1 1 A 120 120 LYS H H 120 8.346 8.270 0.076 1
1 1322 . 18 1 1 A 120 120 LYS HA H 120 4.432 5.071 -0.639 1
1 1331 . 18 1 1 A 120 120 LYS CA C 120 55.740 54.509 1.231 1
1 1332 . 18 1 1 A 120 120 LYS CB C 120 33.290 35.931 -2.641 1
1 1336 . 18 1 1 A 120 120 LYS N N 120 124.095 124.742 -0.647 1
1 1337 . 18 1 1 A 121 121 THR H H 121 8.294 8.799 -0.505 1
1 1338 . 18 1 1 A 121 121 THR HA H 121 4.394 4.780 -0.386 1
1 1343 . 18 1 1 A 121 121 THR CA C 121 61.610 62.092 -0.482 1
1 1344 . 18 1 1 A 121 121 THR CB C 121 69.640 69.690 -0.050 1
1 1346 . 18 1 1 A 121 121 THR N N 121 116.359 117.337 -0.978 1
1 1 . 19 1 1 A 3 3 HIS H H 3 8.528 8.138 0.390 1
1 2 . 19 1 1 A 3 3 HIS HA H 3 4.626 4.635 -0.009 1
1 5 . 19 1 1 A 3 3 HIS CA C 3 55.260 56.622 -1.362 1
1 6 . 19 1 1 A 3 3 HIS CB C 3 29.250 30.613 -1.363 1
1 7 . 19 1 1 A 3 3 HIS N N 3 118.990 118.947 0.043 1
1 8 . 19 1 1 A 4 4 HIS H H 4 8.528 8.580 -0.052 1
1 9 . 19 1 1 A 4 4 HIS HA H 4 4.624 5.129 -0.505 1
1 12 . 19 1 1 A 4 4 HIS CA C 4 55.277 53.920 1.357 1
1 13 . 19 1 1 A 4 4 HIS CB C 4 29.002 32.123 -3.121 1
1 14 . 19 1 1 A 4 4 HIS N N 4 118.990 118.273 0.717 1
1 15 . 19 1 1 A 5 5 HIS H H 5 8.579 8.682 -0.103 1
1 16 . 19 1 1 A 5 5 HIS HA H 5 4.737 5.305 -0.568 1
1 19 . 19 1 1 A 5 5 HIS CA C 5 55.330 54.162 1.168 1
1 20 . 19 1 1 A 5 5 HIS CB C 5 29.257 33.977 -4.720 1
1 21 . 19 1 1 A 5 5 HIS N N 5 119.720 116.500 3.220 1
1 22 . 19 1 1 A 6 6 HIS H H 6 8.603 8.649 -0.046 1
1 23 . 19 1 1 A 6 6 HIS HA H 6 4.674 4.894 -0.220 1
1 26 . 19 1 1 A 6 6 HIS CA C 6 55.150 54.306 0.844 1
1 27 . 19 1 1 A 6 6 HIS CB C 6 27.340 32.263 -4.923 1
1 28 . 19 1 1 A 6 6 HIS N N 6 121.420 116.506 4.914 1
1 29 . 19 1 1 A 7 7 HIS H H 7 8.706 8.834 -0.128 1
1 30 . 19 1 1 A 7 7 HIS HA H 7 4.658 4.501 0.157 1
1 33 . 19 1 1 A 7 7 HIS CA C 7 55.100 56.430 -1.330 1
1 34 . 19 1 1 A 7 7 HIS CB C 7 29.300 30.721 -1.421 1
1 35 . 19 1 1 A 7 7 HIS N N 7 121.200 119.160 2.040 1
1 36 . 19 1 1 A 8 8 HIS H H 8 8.706 8.300 0.406 1
1 37 . 19 1 1 A 8 8 HIS HA H 8 4.706 5.289 -0.583 1
1 40 . 19 1 1 A 8 8 HIS CA C 8 55.156 53.968 1.188 1
1 41 . 19 1 1 A 8 8 HIS CB C 8 29.396 32.088 -2.692 1
1 42 . 19 1 1 A 8 8 HIS N N 8 121.200 117.396 3.804 1
1 43 . 19 1 1 A 9 9 SER H H 9 8.551 8.927 -0.376 1
1 44 . 19 1 1 A 9 9 SER HA H 9 4.450 5.265 -0.815 1
1 47 . 19 1 1 A 9 9 SER CA C 9 58.200 56.638 1.562 1
1 48 . 19 1 1 A 9 9 SER CB C 9 63.740 66.441 -2.701 1
1 49 . 19 1 1 A 9 9 SER N N 9 118.046 120.444 -2.398 1
1 50 . 19 1 1 A 10 10 HIS H H 10 8.770 8.672 0.098 1
1 51 . 19 1 1 A 10 10 HIS HA H 10 4.726 5.293 -0.567 1
1 54 . 19 1 1 A 10 10 HIS CA C 10 55.640 54.362 1.278 1
1 55 . 19 1 1 A 10 10 HIS CB C 10 29.172 34.406 -5.234 1
1 56 . 19 1 1 A 10 10 HIS N N 10 120.412 119.987 0.425 1
1 57 . 19 1 1 A 11 11 MET H H 11 8.528 9.070 -0.542 1
1 58 . 19 1 1 A 11 11 MET HA H 11 4.658 5.117 -0.459 1
1 66 . 19 1 1 A 11 11 MET CA C 11 55.438 54.135 1.303 1
1 67 . 19 1 1 A 11 11 MET CB C 11 33.090 35.395 -2.305 1
1 70 . 19 1 1 A 11 11 MET N N 11 122.400 120.054 2.346 1
1 71 . 19 1 1 A 12 12 THR H H 12 8.339 8.673 -0.334 1
1 72 . 19 1 1 A 12 12 THR HA H 12 4.450 4.283 0.167 1
1 77 . 19 1 1 A 12 12 THR CA C 12 61.810 63.584 -1.774 1
1 78 . 19 1 1 A 12 12 THR CB C 12 70.450 69.662 0.788 1
1 80 . 19 1 1 A 12 12 THR N N 12 115.700 115.925 -0.225 1
1 81 . 19 1 1 A 13 13 GLY H H 13 8.426 7.872 0.554 1
1 82 . 19 1 1 A 13 13 GLY HA2 H 13 4.287 4.165 0.122 1
1 83 . 19 1 1 A 13 13 GLY HA3 H 13 3.877 4.356 -0.479 1
1 84 . 19 1 1 A 13 13 GLY CA C 13 45.243 44.783 0.460 1
1 85 . 19 1 1 A 13 13 GLY N N 13 110.872 110.202 0.670 1
1 86 . 19 1 1 A 14 14 ASN H H 14 8.374 8.611 -0.237 1
1 87 . 19 1 1 A 14 14 ASN HA H 14 4.720 5.422 -0.702 1
1 92 . 19 1 1 A 14 14 ASN CA C 14 54.200 52.297 1.903 1
1 93 . 19 1 1 A 14 14 ASN CB C 14 39.210 39.486 -0.276 1
1 94 . 19 1 1 A 14 14 ASN N N 14 117.789 120.523 -2.734 1
1 96 . 19 1 1 A 15 15 VAL H H 15 7.890 9.036 -1.146 1
1 97 . 19 1 1 A 15 15 VAL HA H 15 4.843 4.920 -0.077 1
1 105 . 19 1 1 A 15 15 VAL CA C 15 61.759 60.647 1.112 1
1 106 . 19 1 1 A 15 15 VAL CB C 15 33.230 33.972 -0.742 1
1 109 . 19 1 1 A 15 15 VAL N N 15 118.720 124.307 -5.587 1
1 110 . 19 1 1 A 16 16 CYS H H 16 9.060 8.594 0.466 1
1 111 . 19 1 1 A 16 16 CYS HA H 16 4.899 5.362 -0.463 1
1 114 . 19 1 1 A 16 16 CYS CA C 16 54.620 56.456 -1.836 1
1 115 . 19 1 1 A 16 16 CYS CB C 16 30.900 31.620 -0.720 1
1 116 . 19 1 1 A 16 16 CYS N N 16 122.674 123.217 -0.543 1
1 117 . 19 1 1 A 17 17 ILE H H 17 8.845 8.916 -0.071 1
1 118 . 19 1 1 A 17 17 ILE HA H 17 4.153 4.082 0.071 1
1 128 . 19 1 1 A 17 17 ILE CA C 17 61.080 61.712 -0.632 1
1 129 . 19 1 1 A 17 17 ILE CB C 17 36.397 36.981 -0.584 1
1 133 . 19 1 1 A 17 17 ILE N N 17 122.609 123.435 -0.826 1
1 134 . 19 1 1 A 18 18 GLU H H 18 8.917 8.940 -0.023 1
1 135 . 19 1 1 A 18 18 GLU HA H 18 4.230 4.271 -0.041 1
1 140 . 19 1 1 A 18 18 GLU CA C 18 57.160 58.458 -1.298 1
1 141 . 19 1 1 A 18 18 GLU CB C 18 30.550 30.633 -0.083 1
1 143 . 19 1 1 A 18 18 GLU N N 18 130.894 130.032 0.862 1
1 144 . 19 1 1 A 19 19 GLU H H 19 7.853 7.580 0.273 1
1 145 . 19 1 1 A 19 19 GLU HA H 19 4.470 4.764 -0.294 1
1 150 . 19 1 1 A 19 19 GLU CA C 19 56.110 55.925 0.185 1
1 151 . 19 1 1 A 19 19 GLU CB C 19 33.847 33.006 0.841 1
1 153 . 19 1 1 A 19 19 GLU N N 19 115.069 118.159 -3.090 1
1 154 . 19 1 1 A 20 20 ILE H H 20 8.744 8.757 -0.013 1
1 155 . 19 1 1 A 20 20 ILE HA H 20 4.080 4.497 -0.417 1
1 165 . 19 1 1 A 20 20 ILE CA C 20 60.619 60.313 0.306 1
1 166 . 19 1 1 A 20 20 ILE CB C 20 39.170 38.655 0.515 1
1 170 . 19 1 1 A 20 20 ILE N N 20 127.309 127.938 -0.629 1
1 171 . 19 1 1 A 21 21 ASP H H 21 7.468 8.535 -1.067 1
1 172 . 19 1 1 A 21 21 ASP HA H 21 3.949 4.471 -0.522 1
1 175 . 19 1 1 A 21 21 ASP CA C 21 54.970 54.397 0.573 1
1 176 . 19 1 1 A 21 21 ASP CB C 21 42.170 42.190 -0.020 1
1 177 . 19 1 1 A 21 21 ASP N N 21 124.858 127.594 -2.736 1
1 178 . 19 1 1 A 22 22 VAL H H 22 8.650 8.672 -0.022 1
1 179 . 19 1 1 A 22 22 VAL HA H 22 3.998 4.060 -0.062 1
1 187 . 19 1 1 A 22 22 VAL CA C 22 64.445 64.418 0.027 1
1 188 . 19 1 1 A 22 22 VAL CB C 22 31.244 31.908 -0.664 1
1 191 . 19 1 1 A 22 22 VAL N N 22 130.172 125.434 4.738 1
1 192 . 19 1 1 A 23 23 ASP H H 23 7.482 7.520 -0.038 1
1 193 . 19 1 1 A 23 23 ASP HA H 23 4.711 4.606 0.105 1
1 196 . 19 1 1 A 23 23 ASP CA C 23 53.920 54.153 -0.233 1
1 197 . 19 1 1 A 23 23 ASP CB C 23 40.100 41.352 -1.252 1
1 198 . 19 1 1 A 23 23 ASP N N 23 118.547 119.742 -1.195 1
1 199 . 19 1 1 A 24 24 GLY H H 24 7.220 7.538 -0.318 1
1 200 . 19 1 1 A 24 24 GLY HA2 H 24 2.950 2.418 0.532 1
1 201 . 19 1 1 A 24 24 GLY HA3 H 24 2.407 3.210 -0.803 1
1 202 . 19 1 1 A 24 24 GLY CA C 24 45.040 44.435 0.605 1
1 203 . 19 1 1 A 24 24 GLY N N 24 105.293 106.462 -1.169 1
1 204 . 19 1 1 A 25 25 LYS H H 25 8.757 7.987 0.770 1
1 205 . 19 1 1 A 25 25 LYS HA H 25 3.964 4.075 -0.111 1
1 214 . 19 1 1 A 25 25 LYS CA C 25 56.590 57.445 -0.855 1
1 215 . 19 1 1 A 25 25 LYS CB C 25 33.660 32.919 0.741 1
1 219 . 19 1 1 A 25 25 LYS N N 25 111.753 118.103 -6.350 1
1 220 . 19 1 1 A 26 26 PHE H H 26 6.380 7.259 -0.879 1
1 221 . 19 1 1 A 26 26 PHE HA H 26 5.753 5.385 0.368 1
1 229 . 19 1 1 A 26 26 PHE CA C 26 56.370 56.256 0.114 1
1 230 . 19 1 1 A 26 26 PHE CB C 26 40.030 40.394 -0.364 1
1 236 . 19 1 1 A 26 26 PHE N N 26 110.097 113.443 -3.346 1
1 237 . 19 1 1 A 27 27 ILE H H 27 8.601 8.542 0.059 1
1 238 . 19 1 1 A 27 27 ILE HA H 27 4.506 4.914 -0.408 1
1 248 . 19 1 1 A 27 27 ILE CA C 27 60.905 60.822 0.083 1
1 249 . 19 1 1 A 27 27 ILE CB C 27 43.249 40.883 2.366 1
1 253 . 19 1 1 A 27 27 ILE N N 27 119.676 119.649 0.027 1
1 254 . 19 1 1 A 28 28 ARG H H 28 9.290 9.286 0.004 1
1 255 . 19 1 1 A 28 28 ARG HA H 28 5.561 5.253 0.308 1
1 262 . 19 1 1 A 28 28 ARG CA C 28 54.650 55.033 -0.383 1
1 263 . 19 1 1 A 28 28 ARG CB C 28 34.180 32.486 1.694 1
1 266 . 19 1 1 A 28 28 ARG N N 28 127.516 129.230 -1.714 1
1 267 . 19 1 1 A 29 29 LEU H H 29 9.502 9.329 0.173 1
1 268 . 19 1 1 A 29 29 LEU HA H 29 5.306 5.095 0.211 1
1 278 . 19 1 1 A 29 29 LEU CA C 29 54.010 53.236 0.774 1
1 279 . 19 1 1 A 29 29 LEU CB C 29 44.020 45.094 -1.074 1
1 283 . 19 1 1 A 29 29 LEU N N 29 126.696 127.703 -1.007 1
1 284 . 19 1 1 A 30 30 LYS H H 30 8.641 8.383 0.258 1
1 285 . 19 1 1 A 30 30 LYS HA H 30 5.108 4.861 0.247 1
1 294 . 19 1 1 A 30 30 LYS CA C 30 54.660 55.245 -0.585 1
1 295 . 19 1 1 A 30 30 LYS CB C 30 38.070 36.468 1.602 1
1 299 . 19 1 1 A 30 30 LYS N N 30 118.761 121.401 -2.640 1
1 300 . 19 1 1 A 31 31 ASN H H 31 8.397 8.891 -0.494 1
1 301 . 19 1 1 A 31 31 ASN HA H 31 5.319 4.771 0.548 1
1 306 . 19 1 1 A 31 31 ASN CA C 31 50.690 52.792 -2.102 1
1 307 . 19 1 1 A 31 31 ASN CB C 31 37.490 38.357 -0.867 1
1 308 . 19 1 1 A 31 31 ASN N N 31 123.996 124.273 -0.277 1
1 310 . 19 1 1 A 32 32 THR H H 32 8.455 8.780 -0.325 1
1 311 . 19 1 1 A 32 32 THR HA H 32 4.302 4.550 -0.248 1
1 316 . 19 1 1 A 32 32 THR CA C 32 61.492 61.438 0.054 1
1 317 . 19 1 1 A 32 32 THR CB C 32 68.110 69.089 -0.979 1
1 319 . 19 1 1 A 32 32 THR N N 32 115.755 116.574 -0.819 1
1 320 . 19 1 1 A 33 33 SER H H 33 8.487 7.599 0.888 1
1 321 . 19 1 1 A 33 33 SER HA H 33 4.793 4.463 0.330 1
1 324 . 19 1 1 A 33 33 SER CA C 33 57.500 57.922 -0.422 1
1 325 . 19 1 1 A 33 33 SER CB C 33 66.510 64.243 2.267 1
1 326 . 19 1 1 A 33 33 SER N N 33 120.037 119.099 0.938 1
1 327 . 19 1 1 A 34 34 GLU H H 34 8.355 8.871 -0.516 1
1 328 . 19 1 1 A 34 34 GLU HA H 34 4.335 4.412 -0.077 1
1 333 . 19 1 1 A 34 34 GLU CA C 34 55.840 57.117 -1.277 1
1 334 . 19 1 1 A 34 34 GLU CB C 34 28.930 30.188 -1.258 1
1 336 . 19 1 1 A 34 34 GLU N N 34 116.545 122.462 -5.917 1
1 337 . 19 1 1 A 35 35 GLN H H 35 8.634 7.552 1.082 1
1 338 . 19 1 1 A 35 35 GLN HA H 35 4.664 4.792 -0.128 1
1 345 . 19 1 1 A 35 35 GLN CA C 35 53.740 54.616 -0.876 1
1 346 . 19 1 1 A 35 35 GLN CB C 35 31.696 32.438 -0.742 1
1 348 . 19 1 1 A 35 35 GLN N N 35 120.013 119.983 0.030 1
1 350 . 19 1 1 A 36 36 ASP H H 36 8.859 8.656 0.203 1
1 351 . 19 1 1 A 36 36 ASP HA H 36 4.050 4.674 -0.624 1
1 354 . 19 1 1 A 36 36 ASP CA C 36 54.640 54.405 0.235 1
1 355 . 19 1 1 A 36 36 ASP CB C 36 40.120 40.912 -0.792 1
1 356 . 19 1 1 A 36 36 ASP N N 36 124.552 122.602 1.950 1
1 357 . 19 1 1 A 37 37 GLN H H 37 8.141 8.967 -0.826 1
1 358 . 19 1 1 A 37 37 GLN HA H 37 4.786 4.811 -0.025 1
1 365 . 19 1 1 A 37 37 GLN CA C 37 50.858 52.432 -1.574 1
1 366 . 19 1 1 A 37 37 GLN CB C 37 31.860 29.573 2.287 1
1 368 . 19 1 1 A 37 37 GLN N N 37 120.015 122.648 -2.633 1
1 370 . 19 1 1 A 38 38 PRO HA H 38 4.367 4.605 -0.238 1
1 377 . 19 1 1 A 38 38 PRO CA C 38 63.330 62.478 0.852 1
1 378 . 19 1 1 A 38 38 PRO CB C 38 31.750 31.486 0.264 1
1 381 . 19 1 1 A 39 39 MET H H 39 8.392 8.745 -0.353 1
1 382 . 19 1 1 A 39 39 MET HA H 39 2.792 3.921 -1.129 1
1 390 . 19 1 1 A 39 39 MET CA C 39 53.780 57.996 -4.216 1
1 391 . 19 1 1 A 39 39 MET CB C 39 34.410 31.909 2.501 1
1 394 . 19 1 1 A 39 39 MET N N 39 124.427 124.877 -0.450 1
1 395 . 19 1 1 A 40 40 GLY H H 40 7.940 8.216 -0.276 1
1 396 . 19 1 1 A 40 40 GLY HA2 H 40 4.154 3.935 0.219 1
1 397 . 19 1 1 A 40 40 GLY HA3 H 40 3.763 3.981 -0.218 1
1 398 . 19 1 1 A 40 40 GLY CA C 40 48.114 45.940 2.174 1
1 399 . 19 1 1 A 40 40 GLY N N 40 108.664 106.129 2.535 1
1 400 . 19 1 1 A 41 41 GLY H H 41 7.959 7.894 0.065 1
1 401 . 19 1 1 A 41 41 GLY HA2 H 41 4.323 3.964 0.359 1
1 402 . 19 1 1 A 41 41 GLY HA3 H 41 3.769 4.006 -0.237 1
1 403 . 19 1 1 A 41 41 GLY CA C 41 46.020 45.063 0.957 1
1 404 . 19 1 1 A 41 41 GLY N N 41 114.027 107.555 6.472 1
1 405 . 19 1 1 A 42 42 TRP H H 42 8.667 7.327 1.340 1
1 406 . 19 1 1 A 42 42 TRP HA H 42 4.408 5.111 -0.703 1
1 415 . 19 1 1 A 42 42 TRP CA C 42 58.925 56.027 2.898 1
1 416 . 19 1 1 A 42 42 TRP CB C 42 28.120 33.122 -5.002 1
1 422 . 19 1 1 A 42 42 TRP N N 42 122.097 120.307 1.790 1
1 424 . 19 1 1 A 43 43 GLU H H 43 8.740 9.035 -0.295 1
1 425 . 19 1 1 A 43 43 GLU HA H 43 5.462 5.124 0.338 1
1 430 . 19 1 1 A 43 43 GLU CA C 43 54.410 55.734 -1.324 1
1 431 . 19 1 1 A 43 43 GLU CB C 43 33.980 33.758 0.222 1
1 433 . 19 1 1 A 43 43 GLU N N 43 120.300 121.266 -0.966 1
1 434 . 19 1 1 A 44 44 MET H H 44 9.658 9.203 0.455 1
1 435 . 19 1 1 A 44 44 MET HA H 44 5.488 5.118 0.370 1
1 443 . 19 1 1 A 44 44 MET CA C 44 53.360 54.177 -0.817 1
1 444 . 19 1 1 A 44 44 MET CB C 44 37.490 34.587 2.903 1
1 447 . 19 1 1 A 44 44 MET N N 44 126.477 126.196 0.281 1
1 448 . 19 1 1 A 45 45 ILE H H 45 9.658 9.414 0.244 1
1 449 . 19 1 1 A 45 45 ILE HA H 45 4.781 4.641 0.140 1
1 459 . 19 1 1 A 45 45 ILE CA C 45 60.413 60.559 -0.146 1
1 460 . 19 1 1 A 45 45 ILE CB C 45 40.804 38.774 2.030 1
1 464 . 19 1 1 A 45 45 ILE N N 45 127.329 127.240 0.089 1
1 465 . 19 1 1 A 46 46 ARG H H 46 9.217 9.277 -0.060 1
1 466 . 19 1 1 A 46 46 ARG HA H 46 5.083 4.892 0.191 1
1 474 . 19 1 1 A 46 46 ARG CA C 46 53.760 55.114 -1.354 1
1 475 . 19 1 1 A 46 46 ARG CB C 46 33.559 31.834 1.725 1
1 478 . 19 1 1 A 46 46 ARG N N 46 126.837 129.137 -2.300 1
1 480 . 19 1 1 A 47 47 LYS H H 47 9.876 9.102 0.774 1
1 481 . 19 1 1 A 47 47 LYS HA H 47 5.257 4.636 0.621 1
1 490 . 19 1 1 A 47 47 LYS CA C 47 55.260 55.828 -0.568 1
1 491 . 19 1 1 A 47 47 LYS CB C 47 34.860 32.866 1.994 1
1 495 . 19 1 1 A 47 47 LYS N N 47 132.271 127.693 4.578 1
1 496 . 19 1 1 A 48 48 ILE H H 48 7.909 8.670 -0.761 1
1 497 . 19 1 1 A 48 48 ILE HA H 48 4.360 4.552 -0.192 1
1 507 . 19 1 1 A 48 48 ILE CA C 48 61.132 59.416 1.716 1
1 508 . 19 1 1 A 48 48 ILE CB C 48 40.316 39.487 0.829 1
1 512 . 19 1 1 A 48 48 ILE N N 48 125.793 125.946 -0.153 1
1 513 . 19 1 1 A 49 49 GLY H H 49 9.576 8.995 0.581 1
1 514 . 19 1 1 A 49 49 GLY HA2 H 49 4.021 3.846 0.175 1
1 515 . 19 1 1 A 49 49 GLY HA3 H 49 3.730 3.850 -0.120 1
1 516 . 19 1 1 A 49 49 GLY CA C 49 46.910 47.330 -0.420 1
1 517 . 19 1 1 A 49 49 GLY N N 49 120.665 118.959 1.706 1
1 518 . 19 1 1 A 50 50 ASP H H 50 8.935 8.548 0.387 1
1 519 . 19 1 1 A 50 50 ASP HA H 50 4.777 4.696 0.081 1
1 522 . 19 1 1 A 50 50 ASP CA C 50 54.000 54.623 -0.623 1
1 523 . 19 1 1 A 50 50 ASP CB C 50 40.520 42.225 -1.705 1
1 524 . 19 1 1 A 50 50 ASP N N 50 126.343 126.267 0.076 1
1 525 . 19 1 1 A 51 51 THR H H 51 8.253 7.678 0.575 1
1 526 . 19 1 1 A 51 51 THR HA H 51 4.638 4.737 -0.099 1
1 531 . 19 1 1 A 51 51 THR CA C 51 61.690 59.565 2.125 1
1 532 . 19 1 1 A 51 51 THR CB C 51 71.080 70.882 0.198 1
1 534 . 19 1 1 A 51 51 THR N N 51 115.167 112.838 2.329 1
1 535 . 19 1 1 A 52 52 SER H H 52 8.710 8.530 0.180 1
1 536 . 19 1 1 A 52 52 SER HA H 52 5.318 5.574 -0.256 1
1 539 . 19 1 1 A 52 52 SER CA C 52 57.290 57.465 -0.175 1
1 540 . 19 1 1 A 52 52 SER CB C 52 64.730 66.282 -1.552 1
1 541 . 19 1 1 A 52 52 SER N N 52 121.442 115.949 5.493 1
1 542 . 19 1 1 A 53 53 VAL H H 53 8.448 8.719 -0.271 1
1 543 . 19 1 1 A 53 53 VAL HA H 53 4.650 4.755 -0.105 1
1 551 . 19 1 1 A 53 53 VAL CA C 53 60.449 60.572 -0.123 1
1 552 . 19 1 1 A 53 53 VAL CB C 53 35.105 35.401 -0.296 1
1 555 . 19 1 1 A 53 53 VAL N N 53 121.387 121.033 0.354 1
1 556 . 19 1 1 A 54 54 SER H H 54 8.761 9.152 -0.391 1
1 557 . 19 1 1 A 54 54 SER HA H 54 5.760 5.657 0.103 1
1 560 . 19 1 1 A 54 54 SER CA C 54 57.180 55.715 1.465 1
1 561 . 19 1 1 A 54 54 SER CB C 54 65.910 66.187 -0.277 1
1 562 . 19 1 1 A 54 54 SER N N 54 118.025 122.045 -4.020 1
1 563 . 19 1 1 A 55 55 TYR H H 55 9.340 8.848 0.492 1
1 564 . 19 1 1 A 55 55 TYR HA H 55 4.175 4.873 -0.698 1
1 571 . 19 1 1 A 55 55 TYR CA C 55 57.100 57.244 -0.144 1
1 572 . 19 1 1 A 55 55 TYR CB C 55 39.870 40.479 -0.609 1
1 577 . 19 1 1 A 55 55 TYR N N 55 128.024 122.046 5.978 1
1 578 . 19 1 1 A 56 56 LYS H H 56 7.551 8.302 -0.751 1
1 579 . 19 1 1 A 56 56 LYS HA H 56 4.890 4.307 0.583 1
1 588 . 19 1 1 A 56 56 LYS CA C 56 54.117 55.888 -1.771 1
1 589 . 19 1 1 A 56 56 LYS CB C 56 33.610 33.103 0.507 1
1 593 . 19 1 1 A 56 56 LYS N N 56 127.706 129.362 -1.656 1
1 594 . 19 1 1 A 57 57 TYR H H 57 8.247 8.407 -0.160 1
1 595 . 19 1 1 A 57 57 TYR HA H 57 3.996 4.198 -0.202 1
1 602 . 19 1 1 A 57 57 TYR CA C 57 59.032 58.330 0.702 1
1 603 . 19 1 1 A 57 57 TYR CB C 57 39.390 38.141 1.249 1
1 608 . 19 1 1 A 57 57 TYR N N 57 124.225 126.979 -2.754 1
1 609 . 19 1 1 A 58 58 THR H H 58 8.722 8.641 0.081 1
1 610 . 19 1 1 A 58 58 THR HA H 58 4.259 4.483 -0.224 1
1 615 . 19 1 1 A 58 58 THR CA C 58 62.250 61.481 0.769 1
1 616 . 19 1 1 A 58 58 THR CB C 58 69.280 69.287 -0.007 1
1 618 . 19 1 1 A 58 58 THR N N 58 116.096 120.821 -4.725 1
1 619 . 19 1 1 A 59 59 SER H H 59 8.402 8.780 -0.378 1
1 620 . 19 1 1 A 59 59 SER HA H 59 4.050 4.378 -0.328 1
1 623 . 19 1 1 A 59 59 SER CA C 59 61.680 57.399 4.281 1
1 624 . 19 1 1 A 59 59 SER CB C 59 63.210 62.264 0.946 1
1 625 . 19 1 1 A 59 59 SER N N 59 114.556 124.767 -10.211 1
1 626 . 19 1 1 A 60 60 ARG H H 60 8.176 8.424 -0.248 1
1 627 . 19 1 1 A 60 60 ARG HA H 60 4.489 4.576 -0.087 1
1 634 . 19 1 1 A 60 60 ARG CA C 60 54.960 56.185 -1.225 1
1 635 . 19 1 1 A 60 60 ARG CB C 60 29.846 30.887 -1.041 1
1 638 . 19 1 1 A 60 60 ARG N N 60 118.244 124.904 -6.660 1
1 639 . 19 1 1 A 61 61 TYR H H 61 7.617 7.461 0.156 1
1 640 . 19 1 1 A 61 61 TYR HA H 61 3.897 4.992 -1.095 1
1 647 . 19 1 1 A 61 61 TYR CA C 61 61.930 56.547 5.383 1
1 648 . 19 1 1 A 61 61 TYR CB C 61 38.670 39.930 -1.260 1
1 653 . 19 1 1 A 61 61 TYR N N 61 122.301 115.890 6.411 1
1 654 . 19 1 1 A 62 62 VAL H H 62 7.363 8.901 -1.538 1
1 655 . 19 1 1 A 62 62 VAL HA H 62 3.893 4.760 -0.867 1
1 663 . 19 1 1 A 62 62 VAL CA C 62 60.590 59.855 0.735 1
1 664 . 19 1 1 A 62 62 VAL CB C 62 35.270 33.645 1.625 1
1 667 . 19 1 1 A 62 62 VAL N N 62 129.952 117.485 12.467 1
1 668 . 19 1 1 A 63 63 LEU H H 63 7.852 8.763 -0.911 1
1 669 . 19 1 1 A 63 63 LEU HA H 63 4.558 4.986 -0.428 1
1 679 . 19 1 1 A 63 63 LEU CA C 63 51.980 53.749 -1.769 1
1 680 . 19 1 1 A 63 63 LEU CB C 63 42.600 44.104 -1.504 1
1 684 . 19 1 1 A 63 63 LEU N N 63 128.635 126.229 2.406 1
1 685 . 19 1 1 A 64 64 LYS H H 64 8.770 8.568 0.202 1
1 686 . 19 1 1 A 64 64 LYS HA H 64 3.722 4.289 -0.567 1
1 695 . 19 1 1 A 64 64 LYS CA C 64 57.360 56.449 0.911 1
1 696 . 19 1 1 A 64 64 LYS CB C 64 32.381 33.230 -0.849 1
1 700 . 19 1 1 A 64 64 LYS N N 64 130.633 127.312 3.321 1
1 701 . 19 1 1 A 65 65 ALA H H 65 8.628 8.442 0.186 1
1 702 . 19 1 1 A 65 65 ALA HA H 65 3.557 3.961 -0.404 1
1 706 . 19 1 1 A 65 65 ALA CA C 65 53.700 53.818 -0.118 1
1 707 . 19 1 1 A 65 65 ALA CB C 65 18.660 18.243 0.417 1
1 708 . 19 1 1 A 65 65 ALA N N 65 123.214 125.184 -1.970 1
1 709 . 19 1 1 A 66 66 GLY H H 66 7.505 8.540 -1.035 1
1 710 . 19 1 1 A 66 66 GLY HA2 H 66 4.020 3.765 0.255 1
1 711 . 19 1 1 A 66 66 GLY HA3 H 66 4.020 3.771 0.249 1
1 712 . 19 1 1 A 66 66 GLY CA C 66 46.864 45.860 1.004 1
1 713 . 19 1 1 A 66 66 GLY N N 66 112.913 110.285 2.628 1
1 714 . 19 1 1 A 67 67 GLN H H 67 8.136 7.503 0.633 1
1 715 . 19 1 1 A 67 67 GLN HA H 67 4.436 4.603 -0.167 1
1 722 . 19 1 1 A 67 67 GLN CA C 67 55.029 54.573 0.456 1
1 723 . 19 1 1 A 67 67 GLN CB C 67 29.700 30.223 -0.523 1
1 725 . 19 1 1 A 67 67 GLN N N 67 118.759 120.843 -2.084 1
1 727 . 19 1 1 A 68 68 THR H H 68 8.066 8.602 -0.536 1
1 728 . 19 1 1 A 68 68 THR HA H 68 5.414 5.190 0.224 1
1 733 . 19 1 1 A 68 68 THR CA C 68 60.050 60.169 -0.119 1
1 734 . 19 1 1 A 68 68 THR CB C 68 72.052 70.590 1.462 1
1 736 . 19 1 1 A 68 68 THR N N 68 111.842 115.430 -3.588 1
1 737 . 19 1 1 A 69 69 VAL H H 69 8.780 9.117 -0.337 1
1 738 . 19 1 1 A 69 69 VAL HA H 69 4.989 4.999 -0.010 1
1 746 . 19 1 1 A 69 69 VAL CA C 69 59.265 59.491 -0.226 1
1 747 . 19 1 1 A 69 69 VAL CB C 69 33.600 35.989 -2.389 1
1 750 . 19 1 1 A 69 69 VAL N N 69 120.958 118.234 2.724 1
1 751 . 19 1 1 A 70 70 THR H H 70 8.660 8.335 0.325 1
1 752 . 19 1 1 A 70 70 THR HA H 70 4.618 4.802 -0.184 1
1 757 . 19 1 1 A 70 70 THR CA C 70 61.730 61.787 -0.057 1
1 758 . 19 1 1 A 70 70 THR CB C 70 69.550 69.992 -0.442 1
1 760 . 19 1 1 A 70 70 THR N N 70 125.533 118.901 6.632 1
1 761 . 19 1 1 A 71 71 ILE H H 71 8.994 9.278 -0.284 1
1 762 . 19 1 1 A 71 71 ILE HA H 71 4.369 4.936 -0.567 1
1 772 . 19 1 1 A 71 71 ILE CA C 71 59.162 60.364 -1.202 1
1 773 . 19 1 1 A 71 71 ILE CB C 71 36.826 38.371 -1.545 1
1 777 . 19 1 1 A 71 71 ILE N N 71 127.838 127.300 0.538 1
1 778 . 19 1 1 A 72 72 TRP H H 72 9.270 9.275 -0.005 1
1 779 . 19 1 1 A 72 72 TRP HA H 72 5.167 5.106 0.061 1
1 788 . 19 1 1 A 72 72 TRP CA C 72 56.180 57.470 -1.290 1
1 789 . 19 1 1 A 72 72 TRP CB C 72 31.490 31.003 0.487 1
1 795 . 19 1 1 A 72 72 TRP N N 72 127.112 129.517 -2.405 1
1 797 . 19 1 1 A 73 73 ALA H H 73 9.010 8.135 0.875 1
1 798 . 19 1 1 A 73 73 ALA HA H 73 4.617 4.927 -0.310 1
1 802 . 19 1 1 A 73 73 ALA CA C 73 52.110 50.728 1.382 1
1 803 . 19 1 1 A 73 73 ALA CB C 73 19.070 20.353 -1.283 1
1 804 . 19 1 1 A 73 73 ALA N N 73 122.140 123.550 -1.410 1
1 805 . 19 1 1 A 74 74 ALA H H 74 9.002 9.016 -0.014 1
1 806 . 19 1 1 A 74 74 ALA HA H 74 4.042 3.846 0.196 1
1 810 . 19 1 1 A 74 74 ALA CA C 74 54.650 54.807 -0.157 1
1 811 . 19 1 1 A 74 74 ALA CB C 74 18.070 18.006 0.064 1
1 812 . 19 1 1 A 74 74 ALA N N 74 123.213 123.976 -0.763 1
1 813 . 19 1 1 A 75 75 ASN H H 75 8.162 8.356 -0.194 1
1 814 . 19 1 1 A 75 75 ASN HA H 75 5.015 4.783 0.232 1
1 819 . 19 1 1 A 75 75 ASN CA C 75 51.650 53.351 -1.701 1
1 820 . 19 1 1 A 75 75 ASN CB C 75 36.590 38.596 -2.006 1
1 821 . 19 1 1 A 75 75 ASN N N 75 112.259 117.642 -5.383 1
1 823 . 19 1 1 A 76 76 ALA H H 76 7.605 7.733 -0.128 1
1 824 . 19 1 1 A 76 76 ALA HA H 76 4.281 4.341 -0.060 1
1 828 . 19 1 1 A 76 76 ALA CA C 76 53.203 51.953 1.250 1
1 829 . 19 1 1 A 76 76 ALA CB C 76 20.210 19.463 0.747 1
1 830 . 19 1 1 A 76 76 ALA N N 76 120.777 121.284 -0.507 1
1 831 . 19 1 1 A 77 77 GLY H H 77 8.449 7.984 0.465 1
1 832 . 19 1 1 A 77 77 GLY HA2 H 77 3.960 3.868 0.092 1
1 833 . 19 1 1 A 77 77 GLY HA3 H 77 3.537 3.888 -0.351 1
1 834 . 19 1 1 A 77 77 GLY CA C 77 45.410 45.239 0.171 1
1 835 . 19 1 1 A 77 77 GLY N N 77 107.064 107.095 -0.031 1
1 836 . 19 1 1 A 78 78 VAL H H 78 7.286 7.567 -0.281 1
1 837 . 19 1 1 A 78 78 VAL HA H 78 3.804 3.986 -0.182 1
1 845 . 19 1 1 A 78 78 VAL CA C 78 60.736 61.539 -0.803 1
1 846 . 19 1 1 A 78 78 VAL CB C 78 33.590 32.266 1.324 1
1 849 . 19 1 1 A 78 78 VAL N N 78 120.566 119.405 1.161 1
1 850 . 19 1 1 A 79 79 THR H H 79 8.148 8.276 -0.128 1
1 851 . 19 1 1 A 79 79 THR HA H 79 4.145 4.320 -0.175 1
1 856 . 19 1 1 A 79 79 THR CA C 79 61.395 62.092 -0.697 1
1 857 . 19 1 1 A 79 79 THR CB C 79 69.620 69.798 -0.178 1
1 859 . 19 1 1 A 79 79 THR N N 79 121.617 114.561 7.056 1
1 860 . 19 1 1 A 80 80 ALA H H 80 8.593 8.753 -0.160 1
1 861 . 19 1 1 A 80 80 ALA HA H 80 3.703 4.435 -0.732 1
1 865 . 19 1 1 A 80 80 ALA CA C 80 53.410 52.449 0.961 1
1 866 . 19 1 1 A 80 80 ALA CB C 80 19.180 18.798 0.382 1
1 867 . 19 1 1 A 80 80 ALA N N 80 126.311 125.319 0.992 1
1 868 . 19 1 1 A 81 81 SER H H 81 9.101 7.637 1.464 1
1 869 . 19 1 1 A 81 81 SER HA H 81 4.747 4.891 -0.144 1
1 872 . 19 1 1 A 81 81 SER CA C 81 55.046 55.200 -0.154 1
1 873 . 19 1 1 A 81 81 SER CB C 81 62.680 64.520 -1.840 1
1 874 . 19 1 1 A 81 81 SER N N 81 114.816 115.206 -0.390 1
1 875 . 19 1 1 A 82 82 PRO HA H 82 4.328 4.423 -0.095 1
1 882 . 19 1 1 A 82 82 PRO CA C 82 62.158 62.465 -0.307 1
1 883 . 19 1 1 A 82 82 PRO CB C 82 30.480 32.782 -2.302 1
1 886 . 19 1 1 A 83 83 PRO HA H 83 4.821 4.139 0.682 1
1 893 . 19 1 1 A 83 83 PRO CA C 83 64.384 63.525 0.859 1
1 894 . 19 1 1 A 83 83 PRO CB C 83 34.750 32.649 2.101 1
1 897 . 19 1 1 A 84 84 THR H H 84 8.007 7.779 0.228 1
1 898 . 19 1 1 A 84 84 THR HA H 84 4.567 4.008 0.559 1
1 903 . 19 1 1 A 84 84 THR CA C 84 64.770 65.061 -0.291 1
1 904 . 19 1 1 A 84 84 THR CB C 84 69.370 68.035 1.335 1
1 906 . 19 1 1 A 84 84 THR N N 84 114.629 109.232 5.397 1
1 907 . 19 1 1 A 85 85 ASP H H 85 7.952 7.758 0.194 1
1 908 . 19 1 1 A 85 85 ASP HA H 85 5.950 5.107 0.843 1
1 911 . 19 1 1 A 85 85 ASP CA C 85 54.110 53.166 0.944 1
1 912 . 19 1 1 A 85 85 ASP CB C 85 43.510 44.798 -1.288 1
1 913 . 19 1 1 A 85 85 ASP N N 85 124.539 118.568 5.971 1
1 914 . 19 1 1 A 86 86 LEU H H 86 9.271 9.014 0.257 1
1 915 . 19 1 1 A 86 86 LEU HA H 86 4.953 5.317 -0.364 1
1 925 . 19 1 1 A 86 86 LEU CA C 86 52.230 53.538 -1.308 1
1 926 . 19 1 1 A 86 86 LEU CB C 86 44.070 44.682 -0.612 1
1 930 . 19 1 1 A 86 86 LEU N N 86 124.265 120.115 4.150 1
1 931 . 19 1 1 A 87 87 ILE H H 87 8.691 9.187 -0.496 1
1 932 . 19 1 1 A 87 87 ILE HA H 87 4.802 4.793 0.009 1
1 942 . 19 1 1 A 87 87 ILE CA C 87 58.694 60.482 -1.788 1
1 943 . 19 1 1 A 87 87 ILE CB C 87 37.945 39.555 -1.610 1
1 947 . 19 1 1 A 87 87 ILE N N 87 119.475 123.256 -3.781 1
1 948 . 19 1 1 A 88 88 TRP H H 88 9.755 9.203 0.552 1
1 949 . 19 1 1 A 88 88 TRP HA H 88 4.918 4.538 0.380 1
1 958 . 19 1 1 A 88 88 TRP CA C 88 54.900 55.894 -0.994 1
1 959 . 19 1 1 A 88 88 TRP CB C 88 27.270 29.280 -2.010 1
1 965 . 19 1 1 A 88 88 TRP N N 88 132.610 129.830 2.780 1
1 967 . 19 1 1 A 89 89 LYS H H 89 8.282 8.930 -0.648 1
1 968 . 19 1 1 A 89 89 LYS HA H 89 3.996 4.221 -0.225 1
1 977 . 19 1 1 A 89 89 LYS CA C 89 58.847 57.053 1.794 1
1 978 . 19 1 1 A 89 89 LYS CB C 89 32.360 32.411 -0.051 1
1 982 . 19 1 1 A 89 89 LYS N N 89 125.513 127.966 -2.453 1
1 983 . 19 1 1 A 90 90 ASN H H 90 8.810 7.628 1.182 1
1 984 . 19 1 1 A 90 90 ASN HA H 90 4.434 4.600 -0.166 1
1 989 . 19 1 1 A 90 90 ASN CA C 90 54.010 54.884 -0.874 1
1 990 . 19 1 1 A 90 90 ASN CB C 90 37.770 38.673 -0.903 1
1 991 . 19 1 1 A 90 90 ASN N N 90 114.946 115.863 -0.917 1
1 993 . 19 1 1 A 91 91 GLN H H 91 7.546 6.617 0.929 1
1 994 . 19 1 1 A 91 91 GLN HA H 91 4.412 4.216 0.196 1
1 1001 . 19 1 1 A 91 91 GLN CA C 91 53.520 54.984 -1.464 1
1 1002 . 19 1 1 A 91 91 GLN CB C 91 28.470 29.503 -1.033 1
1 1004 . 19 1 1 A 91 91 GLN N N 91 117.746 117.451 0.295 1
1 1006 . 19 1 1 A 92 92 ASN H H 92 8.451 8.845 -0.394 1
1 1007 . 19 1 1 A 92 92 ASN HA H 92 4.876 4.711 0.165 1
1 1012 . 19 1 1 A 92 92 ASN CA C 92 52.080 52.702 -0.622 1
1 1013 . 19 1 1 A 92 92 ASN CB C 92 39.400 37.349 2.051 1
1 1014 . 19 1 1 A 92 92 ASN N N 92 123.697 125.631 -1.934 1
1 1016 . 19 1 1 A 93 93 SER H H 93 9.337 8.036 1.301 1
1 1017 . 19 1 1 A 93 93 SER HA H 93 3.977 4.491 -0.514 1
1 1020 . 19 1 1 A 93 93 SER CA C 93 58.940 58.887 0.053 1
1 1021 . 19 1 1 A 93 93 SER CB C 93 62.940 62.093 0.847 1
1 1022 . 19 1 1 A 93 93 SER N N 93 117.010 112.716 4.294 1
1 1023 . 19 1 1 A 94 94 TRP H H 94 7.857 7.984 -0.127 1
1 1024 . 19 1 1 A 94 94 TRP HA H 94 4.905 5.546 -0.641 1
1 1033 . 19 1 1 A 94 94 TRP CA C 94 56.770 54.874 1.896 1
1 1034 . 19 1 1 A 94 94 TRP CB C 94 27.900 33.014 -5.114 1
1 1039 . 19 1 1 A 94 94 TRP N N 94 120.449 122.334 -1.885 1
1 1041 . 19 1 1 A 95 95 GLY H H 95 7.795 8.661 -0.866 1
1 1042 . 19 1 1 A 95 95 GLY HA2 H 95 3.953 4.223 -0.270 1
1 1043 . 19 1 1 A 95 95 GLY HA3 H 95 3.763 4.320 -0.557 1
1 1044 . 19 1 1 A 95 95 GLY CA C 95 45.487 45.687 -0.200 1
1 1045 . 19 1 1 A 95 95 GLY N N 95 109.481 107.115 2.366 1
1 1046 . 19 1 1 A 96 96 THR H H 96 8.028 8.889 -0.861 1
1 1047 . 19 1 1 A 96 96 THR HA H 96 4.696 4.618 0.078 1
1 1052 . 19 1 1 A 96 96 THR CA C 96 60.880 63.198 -2.318 1
1 1053 . 19 1 1 A 96 96 THR CB C 96 70.040 71.698 -1.658 1
1 1055 . 19 1 1 A 96 96 THR N N 96 112.538 118.183 -5.645 1
1 1056 . 19 1 1 A 97 97 GLY H H 97 8.443 7.947 0.496 1
1 1057 . 19 1 1 A 97 97 GLY HA2 H 97 3.482 4.074 -0.592 1
1 1058 . 19 1 1 A 97 97 GLY HA3 H 97 3.862 4.081 -0.219 1
1 1059 . 19 1 1 A 97 97 GLY CA C 97 45.945 45.451 0.494 1
1 1060 . 19 1 1 A 97 97 GLY N N 97 111.464 109.162 2.302 1
1 1061 . 19 1 1 A 98 98 GLU H H 98 8.010 7.995 0.015 1
1 1062 . 19 1 1 A 98 98 GLU HA H 98 4.471 4.423 0.048 1
1 1067 . 19 1 1 A 98 98 GLU CA C 98 54.730 56.628 -1.898 1
1 1068 . 19 1 1 A 98 98 GLU CB C 98 30.719 30.908 -0.189 1
1 1070 . 19 1 1 A 98 98 GLU N N 98 118.563 121.092 -2.529 1
1 1071 . 19 1 1 A 99 99 ASP H H 99 8.680 8.604 0.076 1
1 1072 . 19 1 1 A 99 99 ASP HA H 99 4.612 5.360 -0.748 1
1 1075 . 19 1 1 A 99 99 ASP CA C 99 54.451 54.285 0.166 1
1 1076 . 19 1 1 A 99 99 ASP CB C 99 39.540 40.905 -1.365 1
1 1077 . 19 1 1 A 99 99 ASP N N 99 122.219 123.020 -0.801 1
1 1078 . 19 1 1 A 100 100 VAL H H 100 8.215 8.732 -0.517 1
1 1079 . 19 1 1 A 100 100 VAL HA H 100 4.495 4.497 -0.002 1
1 1087 . 19 1 1 A 100 100 VAL CA C 100 60.920 62.297 -1.377 1
1 1088 . 19 1 1 A 100 100 VAL CB C 100 34.150 32.775 1.375 1
1 1091 . 19 1 1 A 100 100 VAL N N 100 123.901 125.783 -1.882 1
1 1092 . 19 1 1 A 101 101 LYS H H 101 8.600 8.535 0.065 1
1 1093 . 19 1 1 A 101 101 LYS HA H 101 5.112 4.804 0.308 1
1 1102 . 19 1 1 A 101 101 LYS CA C 101 54.718 55.166 -0.448 1
1 1103 . 19 1 1 A 101 101 LYS CB C 101 35.326 33.885 1.441 1
1 1107 . 19 1 1 A 101 101 LYS N N 101 126.635 130.485 -3.850 1
1 1108 . 19 1 1 A 102 102 VAL H H 102 9.209 8.856 0.353 1
1 1109 . 19 1 1 A 102 102 VAL HA H 102 5.405 4.622 0.783 1
1 1117 . 19 1 1 A 102 102 VAL CA C 102 59.950 60.455 -0.505 1
1 1118 . 19 1 1 A 102 102 VAL CB C 102 34.420 33.660 0.760 1
1 1121 . 19 1 1 A 102 102 VAL N N 102 125.573 126.891 -1.318 1
1 1122 . 19 1 1 A 103 103 ILE H H 103 8.968 9.408 -0.440 1
1 1123 . 19 1 1 A 103 103 ILE HA H 103 4.671 4.978 -0.307 1
1 1133 . 19 1 1 A 103 103 ILE CA C 103 59.790 59.828 -0.038 1
1 1134 . 19 1 1 A 103 103 ILE CB C 103 42.522 40.996 1.526 1
1 1138 . 19 1 1 A 103 103 ILE N N 103 125.593 129.357 -3.764 1
1 1139 . 19 1 1 A 104 104 LEU H H 104 9.017 9.233 -0.216 1
1 1140 . 19 1 1 A 104 104 LEU HA H 104 5.361 5.234 0.127 1
1 1150 . 19 1 1 A 104 104 LEU CA C 104 52.800 53.377 -0.577 1
1 1151 . 19 1 1 A 104 104 LEU CB C 104 46.200 43.440 2.760 1
1 1155 . 19 1 1 A 104 104 LEU N N 104 127.791 126.662 1.129 1
1 1156 . 19 1 1 A 105 105 LYS H H 105 9.674 8.810 0.864 1
1 1157 . 19 1 1 A 105 105 LYS HA H 105 5.194 5.153 0.041 1
1 1166 . 19 1 1 A 105 105 LYS CA C 105 53.780 54.064 -0.284 1
1 1167 . 19 1 1 A 105 105 LYS CB C 105 36.330 35.912 0.418 1
1 1171 . 19 1 1 A 105 105 LYS N N 105 126.536 123.479 3.057 1
1 1172 . 19 1 1 A 106 106 ASN H H 106 7.774 8.722 -0.948 1
1 1173 . 19 1 1 A 106 106 ASN HA H 106 2.714 4.632 -1.918 1
1 1178 . 19 1 1 A 106 106 ASN CA C 106 49.530 51.659 -2.129 1
1 1179 . 19 1 1 A 106 106 ASN CB C 106 36.940 39.816 -2.876 1
1 1180 . 19 1 1 A 106 106 ASN N N 106 116.550 119.673 -3.123 1
1 1182 . 19 1 1 A 107 107 SER H H 107 6.988 8.644 -1.656 1
1 1183 . 19 1 1 A 107 107 SER HA H 107 4.092 4.067 0.025 1
1 1186 . 19 1 1 A 107 107 SER CA C 107 60.490 61.778 -1.288 1
1 1187 . 19 1 1 A 107 107 SER CB C 107 62.510 62.965 -0.455 1
1 1188 . 19 1 1 A 107 107 SER N N 107 112.400 116.409 -4.009 1
1 1189 . 19 1 1 A 108 108 GLN H H 108 7.414 7.739 -0.325 1
1 1190 . 19 1 1 A 108 108 GLN HA H 108 4.404 4.314 0.090 1
1 1197 . 19 1 1 A 108 108 GLN CA C 108 55.470 55.571 -0.101 1
1 1198 . 19 1 1 A 108 108 GLN CB C 108 28.400 28.931 -0.531 1
1 1200 . 19 1 1 A 108 108 GLN N N 108 119.000 117.766 1.234 1
1 1202 . 19 1 1 A 109 109 GLY H H 109 7.835 8.232 -0.397 1
1 1203 . 19 1 1 A 109 109 GLY HA2 H 109 4.136 3.861 0.275 1
1 1204 . 19 1 1 A 109 109 GLY HA3 H 109 3.530 3.872 -0.342 1
1 1205 . 19 1 1 A 109 109 GLY CA C 109 45.549 45.610 -0.061 1
1 1206 . 19 1 1 A 109 109 GLY N N 109 107.333 108.368 -1.035 1
1 1207 . 19 1 1 A 110 110 GLU H H 110 7.562 7.887 -0.325 1
1 1208 . 19 1 1 A 110 110 GLU HA H 110 4.209 4.292 -0.083 1
1 1213 . 19 1 1 A 110 110 GLU CA C 110 54.320 56.084 -1.764 1
1 1214 . 19 1 1 A 110 110 GLU CB C 110 29.760 30.456 -0.696 1
1 1216 . 19 1 1 A 110 110 GLU N N 110 120.137 121.013 -0.876 1
1 1217 . 19 1 1 A 111 111 GLU H H 111 8.799 8.423 0.376 1
1 1218 . 19 1 1 A 111 111 GLU HA H 111 4.194 4.707 -0.513 1
1 1223 . 19 1 1 A 111 111 GLU CA C 111 57.160 55.629 1.531 1
1 1224 . 19 1 1 A 111 111 GLU CB C 111 29.175 31.111 -1.936 1
1 1226 . 19 1 1 A 111 111 GLU N N 111 123.867 124.134 -0.267 1
1 1227 . 19 1 1 A 112 112 VAL H H 112 9.093 8.565 0.528 1
1 1228 . 19 1 1 A 112 112 VAL HA H 112 4.330 4.367 -0.037 1
1 1236 . 19 1 1 A 112 112 VAL CA C 112 61.529 62.349 -0.820 1
1 1237 . 19 1 1 A 112 112 VAL CB C 112 33.230 33.451 -0.221 1
1 1240 . 19 1 1 A 112 112 VAL N N 112 122.642 121.606 1.036 1
1 1241 . 19 1 1 A 113 113 ALA H H 113 7.793 7.356 0.437 1
1 1242 . 19 1 1 A 113 113 ALA HA H 113 4.770 4.840 -0.070 1
1 1246 . 19 1 1 A 113 113 ALA CA C 113 52.449 50.537 1.912 1
1 1247 . 19 1 1 A 113 113 ALA CB C 113 22.400 23.364 -0.964 1
1 1248 . 19 1 1 A 113 113 ALA N N 113 121.070 122.333 -1.263 1
1 1249 . 19 1 1 A 114 114 GLN H H 114 8.450 8.750 -0.300 1
1 1250 . 19 1 1 A 114 114 GLN HA H 114 5.404 5.373 0.031 1
1 1257 . 19 1 1 A 114 114 GLN CA C 114 54.830 54.820 0.010 1
1 1258 . 19 1 1 A 114 114 GLN CB C 114 32.307 32.332 -0.025 1
1 1260 . 19 1 1 A 114 114 GLN N N 114 115.851 115.056 0.795 1
1 1262 . 19 1 1 A 115 115 ARG H H 115 8.989 8.576 0.413 1
1 1263 . 19 1 1 A 115 115 ARG HA H 115 4.555 4.785 -0.230 1
1 1270 . 19 1 1 A 115 115 ARG CA C 115 56.350 55.536 0.814 1
1 1271 . 19 1 1 A 115 115 ARG CB C 115 33.730 34.650 -0.920 1
1 1274 . 19 1 1 A 115 115 ARG N N 115 122.920 121.172 1.748 1
1 1275 . 19 1 1 A 116 116 SER H H 116 8.511 8.584 -0.073 1
1 1276 . 19 1 1 A 116 116 SER HA H 116 5.756 4.919 0.837 1
1 1279 . 19 1 1 A 116 116 SER CA C 116 56.400 57.819 -1.419 1
1 1280 . 19 1 1 A 116 116 SER CB C 116 65.770 65.478 0.292 1
1 1281 . 19 1 1 A 116 116 SER N N 116 119.807 117.251 2.556 1
1 1282 . 19 1 1 A 117 117 THR H H 117 8.801 8.372 0.429 1
1 1283 . 19 1 1 A 117 117 THR HA H 117 4.378 4.672 -0.294 1
1 1288 . 19 1 1 A 117 117 THR CA C 117 62.160 61.293 0.867 1
1 1289 . 19 1 1 A 117 117 THR CB C 117 70.010 70.485 -0.475 1
1 1291 . 19 1 1 A 117 117 THR N N 117 116.435 111.596 4.839 1
1 1292 . 19 1 1 A 118 118 VAL H H 118 8.165 8.609 -0.444 1
1 1293 . 19 1 1 A 118 118 VAL HA H 118 4.227 4.066 0.161 1
1 1301 . 19 1 1 A 118 118 VAL CA C 118 61.320 62.453 -1.133 1
1 1302 . 19 1 1 A 118 118 VAL CB C 118 32.931 31.332 1.599 1
1 1305 . 19 1 1 A 118 118 VAL N N 118 122.111 120.699 1.412 1
1 1306 . 19 1 1 A 119 119 PHE H H 119 8.580 7.939 0.641 1
1 1307 . 19 1 1 A 119 119 PHE HA H 119 4.655 4.509 0.146 1
1 1314 . 19 1 1 A 119 119 PHE CA C 119 57.520 58.327 -0.807 1
1 1315 . 19 1 1 A 119 119 PHE CB C 119 39.550 38.903 0.647 1
1 1320 . 19 1 1 A 119 119 PHE N N 119 126.006 123.959 2.047 1
1 1321 . 19 1 1 A 120 120 LYS H H 120 8.346 7.353 0.993 1
1 1322 . 19 1 1 A 120 120 LYS HA H 120 4.432 4.105 0.327 1
1 1331 . 19 1 1 A 120 120 LYS CA C 120 55.740 56.684 -0.944 1
1 1332 . 19 1 1 A 120 120 LYS CB C 120 33.290 32.515 0.775 1
1 1336 . 19 1 1 A 120 120 LYS N N 120 124.095 122.006 2.089 1
1 1337 . 19 1 1 A 121 121 THR H H 121 8.294 8.937 -0.643 1
1 1338 . 19 1 1 A 121 121 THR HA H 121 4.394 4.722 -0.328 1
1 1343 . 19 1 1 A 121 121 THR CA C 121 61.610 62.098 -0.488 1
1 1344 . 19 1 1 A 121 121 THR CB C 121 69.640 70.603 -0.963 1
1 1346 . 19 1 1 A 121 121 THR N N 121 116.359 122.276 -5.917 1
1 1 . 20 1 1 A 3 3 HIS H H 3 8.528 8.424 0.104 1
1 2 . 20 1 1 A 3 3 HIS HA H 3 4.626 4.501 0.125 1
1 5 . 20 1 1 A 3 3 HIS CA C 3 55.260 57.936 -2.676 1
1 6 . 20 1 1 A 3 3 HIS CB C 3 29.250 30.408 -1.158 1
1 7 . 20 1 1 A 3 3 HIS N N 3 118.990 120.655 -1.665 1
1 8 . 20 1 1 A 4 4 HIS H H 4 8.528 7.824 0.704 1
1 9 . 20 1 1 A 4 4 HIS HA H 4 4.624 4.988 -0.364 1
1 12 . 20 1 1 A 4 4 HIS CA C 4 55.277 54.207 1.070 1
1 13 . 20 1 1 A 4 4 HIS CB C 4 29.002 30.737 -1.735 1
1 14 . 20 1 1 A 4 4 HIS N N 4 118.990 115.217 3.773 1
1 15 . 20 1 1 A 5 5 HIS H H 5 8.579 8.148 0.431 1
1 16 . 20 1 1 A 5 5 HIS HA H 5 4.737 5.124 -0.387 1
1 19 . 20 1 1 A 5 5 HIS CA C 5 55.330 53.391 1.939 1
1 20 . 20 1 1 A 5 5 HIS CB C 5 29.257 30.353 -1.096 1
1 21 . 20 1 1 A 5 5 HIS N N 5 119.720 119.585 0.135 1
1 22 . 20 1 1 A 6 6 HIS H H 6 8.603 8.706 -0.103 1
1 23 . 20 1 1 A 6 6 HIS HA H 6 4.674 4.636 0.038 1
1 26 . 20 1 1 A 6 6 HIS CA C 6 55.150 54.739 0.411 1
1 27 . 20 1 1 A 6 6 HIS CB C 6 27.340 33.172 -5.832 1
1 28 . 20 1 1 A 6 6 HIS N N 6 121.420 122.088 -0.668 1
1 29 . 20 1 1 A 7 7 HIS H H 7 8.706 8.903 -0.197 1
1 30 . 20 1 1 A 7 7 HIS HA H 7 4.658 4.530 0.128 1
1 33 . 20 1 1 A 7 7 HIS CA C 7 55.100 55.633 -0.533 1
1 34 . 20 1 1 A 7 7 HIS CB C 7 29.300 28.985 0.315 1
1 35 . 20 1 1 A 7 7 HIS N N 7 121.200 120.838 0.362 1
1 36 . 20 1 1 A 8 8 HIS H H 8 8.706 7.744 0.962 1
1 37 . 20 1 1 A 8 8 HIS HA H 8 4.706 4.382 0.324 1
1 40 . 20 1 1 A 8 8 HIS CA C 8 55.156 56.002 -0.846 1
1 41 . 20 1 1 A 8 8 HIS CB C 8 29.396 30.025 -0.629 1
1 42 . 20 1 1 A 8 8 HIS N N 8 121.200 120.863 0.337 1
1 43 . 20 1 1 A 9 9 SER H H 9 8.551 7.375 1.176 1
1 44 . 20 1 1 A 9 9 SER HA H 9 4.450 4.220 0.230 1
1 47 . 20 1 1 A 9 9 SER CA C 9 58.200 58.462 -0.262 1
1 48 . 20 1 1 A 9 9 SER CB C 9 63.740 63.567 0.173 1
1 49 . 20 1 1 A 9 9 SER N N 9 118.046 117.082 0.964 1
1 50 . 20 1 1 A 10 10 HIS H H 10 8.770 8.892 -0.122 1
1 51 . 20 1 1 A 10 10 HIS HA H 10 4.726 5.077 -0.351 1
1 54 . 20 1 1 A 10 10 HIS CA C 10 55.640 54.849 0.791 1
1 55 . 20 1 1 A 10 10 HIS CB C 10 29.172 31.738 -2.566 1
1 56 . 20 1 1 A 10 10 HIS N N 10 120.412 126.576 -6.164 1
1 57 . 20 1 1 A 11 11 MET H H 11 8.528 8.759 -0.231 1
1 58 . 20 1 1 A 11 11 MET HA H 11 4.658 4.428 0.230 1
1 66 . 20 1 1 A 11 11 MET CA C 11 55.438 54.743 0.695 1
1 67 . 20 1 1 A 11 11 MET CB C 11 33.090 32.103 0.987 1
1 70 . 20 1 1 A 11 11 MET N N 11 122.400 122.925 -0.525 1
1 71 . 20 1 1 A 12 12 THR H H 12 8.339 8.903 -0.564 1
1 72 . 20 1 1 A 12 12 THR HA H 12 4.450 3.981 0.469 1
1 77 . 20 1 1 A 12 12 THR CA C 12 61.810 63.686 -1.876 1
1 78 . 20 1 1 A 12 12 THR CB C 12 70.450 69.892 0.558 1
1 80 . 20 1 1 A 12 12 THR N N 12 115.700 120.688 -4.988 1
1 81 . 20 1 1 A 13 13 GLY H H 13 8.426 8.004 0.422 1
1 82 . 20 1 1 A 13 13 GLY HA2 H 13 4.287 4.050 0.237 1
1 83 . 20 1 1 A 13 13 GLY HA3 H 13 3.877 4.321 -0.444 1
1 84 . 20 1 1 A 13 13 GLY CA C 13 45.243 45.867 -0.624 1
1 85 . 20 1 1 A 13 13 GLY N N 13 110.872 109.179 1.693 1
1 86 . 20 1 1 A 14 14 ASN H H 14 8.374 8.736 -0.362 1
1 87 . 20 1 1 A 14 14 ASN HA H 14 4.720 5.062 -0.342 1
1 92 . 20 1 1 A 14 14 ASN CA C 14 54.200 52.897 1.303 1
1 93 . 20 1 1 A 14 14 ASN CB C 14 39.210 39.749 -0.539 1
1 94 . 20 1 1 A 14 14 ASN N N 14 117.789 118.671 -0.882 1
1 96 . 20 1 1 A 15 15 VAL H H 15 7.890 7.700 0.190 1
1 97 . 20 1 1 A 15 15 VAL HA H 15 4.843 4.187 0.656 1
1 105 . 20 1 1 A 15 15 VAL CA C 15 61.759 61.192 0.567 1
1 106 . 20 1 1 A 15 15 VAL CB C 15 33.230 32.522 0.708 1
1 109 . 20 1 1 A 15 15 VAL N N 15 118.720 119.918 -1.198 1
1 110 . 20 1 1 A 16 16 CYS H H 16 9.060 8.875 0.185 1
1 111 . 20 1 1 A 16 16 CYS HA H 16 4.899 5.145 -0.246 1
1 114 . 20 1 1 A 16 16 CYS CA C 16 54.620 56.274 -1.654 1
1 115 . 20 1 1 A 16 16 CYS CB C 16 30.900 31.963 -1.063 1
1 116 . 20 1 1 A 16 16 CYS N N 16 122.674 124.377 -1.703 1
1 117 . 20 1 1 A 17 17 ILE H H 17 8.845 8.856 -0.011 1
1 118 . 20 1 1 A 17 17 ILE HA H 17 4.153 4.349 -0.196 1
1 128 . 20 1 1 A 17 17 ILE CA C 17 61.080 60.870 0.210 1
1 129 . 20 1 1 A 17 17 ILE CB C 17 36.397 38.136 -1.739 1
1 133 . 20 1 1 A 17 17 ILE N N 17 122.609 121.313 1.296 1
1 134 . 20 1 1 A 18 18 GLU H H 18 8.917 9.006 -0.089 1
1 135 . 20 1 1 A 18 18 GLU HA H 18 4.230 4.427 -0.197 1
1 140 . 20 1 1 A 18 18 GLU CA C 18 57.160 57.779 -0.619 1
1 141 . 20 1 1 A 18 18 GLU CB C 18 30.550 31.296 -0.746 1
1 143 . 20 1 1 A 18 18 GLU N N 18 130.894 128.633 2.261 1
1 144 . 20 1 1 A 19 19 GLU H H 19 7.853 7.846 0.007 1
1 145 . 20 1 1 A 19 19 GLU HA H 19 4.470 4.903 -0.433 1
1 150 . 20 1 1 A 19 19 GLU CA C 19 56.110 55.858 0.252 1
1 151 . 20 1 1 A 19 19 GLU CB C 19 33.847 33.249 0.598 1
1 153 . 20 1 1 A 19 19 GLU N N 19 115.069 118.007 -2.938 1
1 154 . 20 1 1 A 20 20 ILE H H 20 8.744 8.930 -0.186 1
1 155 . 20 1 1 A 20 20 ILE HA H 20 4.080 4.721 -0.641 1
1 165 . 20 1 1 A 20 20 ILE CA C 20 60.619 59.482 1.137 1
1 166 . 20 1 1 A 20 20 ILE CB C 20 39.170 42.553 -3.383 1
1 170 . 20 1 1 A 20 20 ILE N N 20 127.309 125.974 1.335 1
1 171 . 20 1 1 A 21 21 ASP H H 21 7.468 8.596 -1.128 1
1 172 . 20 1 1 A 21 21 ASP HA H 21 3.949 4.603 -0.654 1
1 175 . 20 1 1 A 21 21 ASP CA C 21 54.970 53.704 1.266 1
1 176 . 20 1 1 A 21 21 ASP CB C 21 42.170 41.108 1.062 1
1 177 . 20 1 1 A 21 21 ASP N N 21 124.858 126.142 -1.284 1
1 178 . 20 1 1 A 22 22 VAL H H 22 8.650 8.884 -0.234 1
1 179 . 20 1 1 A 22 22 VAL HA H 22 3.998 4.109 -0.111 1
1 187 . 20 1 1 A 22 22 VAL CA C 22 64.445 64.532 -0.087 1
1 188 . 20 1 1 A 22 22 VAL CB C 22 31.244 31.813 -0.569 1
1 191 . 20 1 1 A 22 22 VAL N N 22 130.172 126.457 3.715 1
1 192 . 20 1 1 A 23 23 ASP H H 23 7.482 7.795 -0.313 1
1 193 . 20 1 1 A 23 23 ASP HA H 23 4.711 4.488 0.223 1
1 196 . 20 1 1 A 23 23 ASP CA C 23 53.920 54.826 -0.906 1
1 197 . 20 1 1 A 23 23 ASP CB C 23 40.100 41.302 -1.202 1
1 198 . 20 1 1 A 23 23 ASP N N 23 118.547 119.822 -1.275 1
1 199 . 20 1 1 A 24 24 GLY H H 24 7.220 7.678 -0.458 1
1 200 . 20 1 1 A 24 24 GLY HA2 H 24 2.950 1.977 0.973 1
1 201 . 20 1 1 A 24 24 GLY HA3 H 24 2.407 3.230 -0.823 1
1 202 . 20 1 1 A 24 24 GLY CA C 24 45.040 44.820 0.220 1
1 203 . 20 1 1 A 24 24 GLY N N 24 105.293 106.582 -1.289 1
1 204 . 20 1 1 A 25 25 LYS H H 25 8.757 7.480 1.277 1
1 205 . 20 1 1 A 25 25 LYS HA H 25 3.964 4.303 -0.339 1
1 214 . 20 1 1 A 25 25 LYS CA C 25 56.590 56.819 -0.229 1
1 215 . 20 1 1 A 25 25 LYS CB C 25 33.660 35.331 -1.671 1
1 219 . 20 1 1 A 25 25 LYS N N 25 111.753 116.649 -4.896 1
1 220 . 20 1 1 A 26 26 PHE H H 26 6.380 7.879 -1.499 1
1 221 . 20 1 1 A 26 26 PHE HA H 26 5.753 5.452 0.301 1
1 229 . 20 1 1 A 26 26 PHE CA C 26 56.370 56.072 0.298 1
1 230 . 20 1 1 A 26 26 PHE CB C 26 40.030 42.524 -2.494 1
1 236 . 20 1 1 A 26 26 PHE N N 26 110.097 114.249 -4.152 1
1 237 . 20 1 1 A 27 27 ILE H H 27 8.601 8.932 -0.331 1
1 238 . 20 1 1 A 27 27 ILE HA H 27 4.506 5.121 -0.615 1
1 248 . 20 1 1 A 27 27 ILE CA C 27 60.905 59.804 1.101 1
1 249 . 20 1 1 A 27 27 ILE CB C 27 43.249 42.322 0.927 1
1 253 . 20 1 1 A 27 27 ILE N N 27 119.676 120.451 -0.775 1
1 254 . 20 1 1 A 28 28 ARG H H 28 9.290 8.752 0.538 1
1 255 . 20 1 1 A 28 28 ARG HA H 28 5.561 5.146 0.415 1
1 262 . 20 1 1 A 28 28 ARG CA C 28 54.650 54.779 -0.129 1
1 263 . 20 1 1 A 28 28 ARG CB C 28 34.180 33.939 0.241 1
1 266 . 20 1 1 A 28 28 ARG N N 28 127.516 125.321 2.195 1
1 267 . 20 1 1 A 29 29 LEU H H 29 9.502 8.966 0.536 1
1 268 . 20 1 1 A 29 29 LEU HA H 29 5.306 4.937 0.369 1
1 278 . 20 1 1 A 29 29 LEU CA C 29 54.010 53.365 0.645 1
1 279 . 20 1 1 A 29 29 LEU CB C 29 44.020 43.533 0.487 1
1 283 . 20 1 1 A 29 29 LEU N N 29 126.696 127.711 -1.015 1
1 284 . 20 1 1 A 30 30 LYS H H 30 8.641 8.918 -0.277 1
1 285 . 20 1 1 A 30 30 LYS HA H 30 5.108 4.831 0.277 1
1 294 . 20 1 1 A 30 30 LYS CA C 30 54.660 54.896 -0.236 1
1 295 . 20 1 1 A 30 30 LYS CB C 30 38.070 36.254 1.816 1
1 299 . 20 1 1 A 30 30 LYS N N 30 118.761 121.802 -3.041 1
1 300 . 20 1 1 A 31 31 ASN H H 31 8.397 8.996 -0.599 1
1 301 . 20 1 1 A 31 31 ASN HA H 31 5.319 4.722 0.597 1
1 306 . 20 1 1 A 31 31 ASN CA C 31 50.690 52.275 -1.585 1
1 307 . 20 1 1 A 31 31 ASN CB C 31 37.490 37.719 -0.229 1
1 308 . 20 1 1 A 31 31 ASN N N 31 123.996 125.431 -1.435 1
1 310 . 20 1 1 A 32 32 THR H H 32 8.455 7.837 0.618 1
1 311 . 20 1 1 A 32 32 THR HA H 32 4.302 4.713 -0.411 1
1 316 . 20 1 1 A 32 32 THR CA C 32 61.492 61.325 0.167 1
1 317 . 20 1 1 A 32 32 THR CB C 32 68.110 68.267 -0.157 1
1 319 . 20 1 1 A 32 32 THR N N 32 115.755 117.865 -2.110 1
1 320 . 20 1 1 A 33 33 SER H H 33 8.487 8.723 -0.236 1
1 321 . 20 1 1 A 33 33 SER HA H 33 4.793 5.102 -0.309 1
1 324 . 20 1 1 A 33 33 SER CA C 33 57.500 56.365 1.135 1
1 325 . 20 1 1 A 33 33 SER CB C 33 66.510 65.768 0.742 1
1 326 . 20 1 1 A 33 33 SER N N 33 120.037 122.146 -2.109 1
1 327 . 20 1 1 A 34 34 GLU H H 34 8.355 8.757 -0.402 1
1 328 . 20 1 1 A 34 34 GLU HA H 34 4.335 4.274 0.061 1
1 333 . 20 1 1 A 34 34 GLU CA C 34 55.840 58.285 -2.445 1
1 334 . 20 1 1 A 34 34 GLU CB C 34 28.930 30.944 -2.014 1
1 336 . 20 1 1 A 34 34 GLU N N 34 116.545 122.621 -6.076 1
1 337 . 20 1 1 A 35 35 GLN H H 35 8.634 7.597 1.037 1
1 338 . 20 1 1 A 35 35 GLN HA H 35 4.664 4.772 -0.108 1
1 345 . 20 1 1 A 35 35 GLN CA C 35 53.740 54.438 -0.698 1
1 346 . 20 1 1 A 35 35 GLN CB C 35 31.696 32.244 -0.548 1
1 348 . 20 1 1 A 35 35 GLN N N 35 120.013 118.716 1.297 1
1 350 . 20 1 1 A 36 36 ASP H H 36 8.859 8.631 0.228 1
1 351 . 20 1 1 A 36 36 ASP HA H 36 4.050 4.767 -0.717 1
1 354 . 20 1 1 A 36 36 ASP CA C 36 54.640 54.455 0.185 1
1 355 . 20 1 1 A 36 36 ASP CB C 36 40.120 40.585 -0.465 1
1 356 . 20 1 1 A 36 36 ASP N N 36 124.552 122.449 2.103 1
1 357 . 20 1 1 A 37 37 GLN H H 37 8.141 8.556 -0.415 1
1 358 . 20 1 1 A 37 37 GLN HA H 37 4.786 4.793 -0.007 1
1 365 . 20 1 1 A 37 37 GLN CA C 37 50.858 52.264 -1.406 1
1 366 . 20 1 1 A 37 37 GLN CB C 37 31.860 29.171 2.689 1
1 368 . 20 1 1 A 37 37 GLN N N 37 120.015 124.477 -4.462 1
1 370 . 20 1 1 A 38 38 PRO HA H 38 4.367 4.772 -0.405 1
1 377 . 20 1 1 A 38 38 PRO CA C 38 63.330 62.842 0.488 1
1 378 . 20 1 1 A 38 38 PRO CB C 38 31.750 30.132 1.618 1
1 381 . 20 1 1 A 39 39 MET H H 39 8.392 8.433 -0.041 1
1 382 . 20 1 1 A 39 39 MET HA H 39 2.792 4.133 -1.341 1
1 390 . 20 1 1 A 39 39 MET CA C 39 53.780 56.961 -3.181 1
1 391 . 20 1 1 A 39 39 MET CB C 39 34.410 32.610 1.800 1
1 394 . 20 1 1 A 39 39 MET N N 39 124.427 118.590 5.837 1
1 395 . 20 1 1 A 40 40 GLY H H 40 7.940 8.107 -0.167 1
1 396 . 20 1 1 A 40 40 GLY HA2 H 40 4.154 4.111 0.043 1
1 397 . 20 1 1 A 40 40 GLY HA3 H 40 3.763 4.238 -0.475 1
1 398 . 20 1 1 A 40 40 GLY CA C 40 48.114 43.896 4.218 1
1 399 . 20 1 1 A 40 40 GLY N N 40 108.664 106.571 2.093 1
1 400 . 20 1 1 A 41 41 GLY H H 41 7.959 8.543 -0.584 1
1 401 . 20 1 1 A 41 41 GLY HA2 H 41 4.323 3.969 0.354 1
1 402 . 20 1 1 A 41 41 GLY HA3 H 41 3.769 4.044 -0.275 1
1 403 . 20 1 1 A 41 41 GLY CA C 41 46.020 46.786 -0.766 1
1 404 . 20 1 1 A 41 41 GLY N N 41 114.027 107.423 6.604 1
1 405 . 20 1 1 A 42 42 TRP H H 42 8.667 8.944 -0.277 1
1 406 . 20 1 1 A 42 42 TRP HA H 42 4.408 5.036 -0.628 1
1 415 . 20 1 1 A 42 42 TRP CA C 42 58.925 56.958 1.967 1
1 416 . 20 1 1 A 42 42 TRP CB C 42 28.120 31.373 -3.253 1
1 422 . 20 1 1 A 42 42 TRP N N 42 122.097 126.091 -3.994 1
1 424 . 20 1 1 A 43 43 GLU H H 43 8.740 9.282 -0.542 1
1 425 . 20 1 1 A 43 43 GLU HA H 43 5.462 5.028 0.434 1
1 430 . 20 1 1 A 43 43 GLU CA C 43 54.410 55.050 -0.640 1
1 431 . 20 1 1 A 43 43 GLU CB C 43 33.980 32.170 1.810 1
1 433 . 20 1 1 A 43 43 GLU N N 43 120.300 123.001 -2.701 1
1 434 . 20 1 1 A 44 44 MET H H 44 9.658 9.342 0.316 1
1 435 . 20 1 1 A 44 44 MET HA H 44 5.488 5.146 0.342 1
1 443 . 20 1 1 A 44 44 MET CA C 44 53.360 54.082 -0.722 1
1 444 . 20 1 1 A 44 44 MET CB C 44 37.490 33.851 3.639 1
1 447 . 20 1 1 A 44 44 MET N N 44 126.477 127.858 -1.381 1
1 448 . 20 1 1 A 45 45 ILE H H 45 9.658 9.169 0.489 1
1 449 . 20 1 1 A 45 45 ILE HA H 45 4.781 4.831 -0.050 1
1 459 . 20 1 1 A 45 45 ILE CA C 45 60.413 60.826 -0.413 1
1 460 . 20 1 1 A 45 45 ILE CB C 45 40.804 38.618 2.186 1
1 464 . 20 1 1 A 45 45 ILE N N 45 127.329 127.224 0.105 1
1 465 . 20 1 1 A 46 46 ARG H H 46 9.217 9.227 -0.010 1
1 466 . 20 1 1 A 46 46 ARG HA H 46 5.083 4.607 0.476 1
1 474 . 20 1 1 A 46 46 ARG CA C 46 53.760 55.264 -1.504 1
1 475 . 20 1 1 A 46 46 ARG CB C 46 33.559 30.579 2.980 1
1 478 . 20 1 1 A 46 46 ARG N N 46 126.837 128.696 -1.859 1
1 480 . 20 1 1 A 47 47 LYS H H 47 9.876 8.555 1.321 1
1 481 . 20 1 1 A 47 47 LYS HA H 47 5.257 4.477 0.780 1
1 490 . 20 1 1 A 47 47 LYS CA C 47 55.260 55.257 0.003 1
1 491 . 20 1 1 A 47 47 LYS CB C 47 34.860 30.845 4.015 1
1 495 . 20 1 1 A 47 47 LYS N N 47 132.271 126.499 5.772 1
1 496 . 20 1 1 A 48 48 ILE H H 48 7.909 8.407 -0.498 1
1 497 . 20 1 1 A 48 48 ILE HA H 48 4.360 4.033 0.327 1
1 507 . 20 1 1 A 48 48 ILE CA C 48 61.132 62.407 -1.275 1
1 508 . 20 1 1 A 48 48 ILE CB C 48 40.316 38.988 1.328 1
1 512 . 20 1 1 A 48 48 ILE N N 48 125.793 125.983 -0.190 1
1 513 . 20 1 1 A 49 49 GLY H H 49 9.576 7.465 2.111 1
1 514 . 20 1 1 A 49 49 GLY HA2 H 49 4.021 4.071 -0.050 1
1 515 . 20 1 1 A 49 49 GLY HA3 H 49 3.730 4.071 -0.341 1
1 516 . 20 1 1 A 49 49 GLY CA C 49 46.910 45.692 1.218 1
1 517 . 20 1 1 A 49 49 GLY N N 49 120.665 109.777 10.888 1
1 518 . 20 1 1 A 50 50 ASP H H 50 8.935 8.488 0.447 1
1 519 . 20 1 1 A 50 50 ASP HA H 50 4.777 4.724 0.053 1
1 522 . 20 1 1 A 50 50 ASP CA C 50 54.000 53.623 0.377 1
1 523 . 20 1 1 A 50 50 ASP CB C 50 40.520 39.517 1.003 1
1 524 . 20 1 1 A 50 50 ASP N N 50 126.343 121.364 4.979 1
1 525 . 20 1 1 A 51 51 THR H H 51 8.253 8.149 0.104 1
1 526 . 20 1 1 A 51 51 THR HA H 51 4.638 4.714 -0.076 1
1 531 . 20 1 1 A 51 51 THR CA C 51 61.690 60.347 1.343 1
1 532 . 20 1 1 A 51 51 THR CB C 51 71.080 69.431 1.649 1
1 534 . 20 1 1 A 51 51 THR N N 51 115.167 118.267 -3.100 1
1 535 . 20 1 1 A 52 52 SER H H 52 8.710 8.632 0.078 1
1 536 . 20 1 1 A 52 52 SER HA H 52 5.318 5.309 0.009 1
1 539 . 20 1 1 A 52 52 SER CA C 52 57.290 57.255 0.035 1
1 540 . 20 1 1 A 52 52 SER CB C 52 64.730 65.263 -0.533 1
1 541 . 20 1 1 A 52 52 SER N N 52 121.442 116.518 4.924 1
1 542 . 20 1 1 A 53 53 VAL H H 53 8.448 8.943 -0.495 1
1 543 . 20 1 1 A 53 53 VAL HA H 53 4.650 5.006 -0.356 1
1 551 . 20 1 1 A 53 53 VAL CA C 53 60.449 59.956 0.493 1
1 552 . 20 1 1 A 53 53 VAL CB C 53 35.105 35.739 -0.634 1
1 555 . 20 1 1 A 53 53 VAL N N 53 121.387 125.951 -4.564 1
1 556 . 20 1 1 A 54 54 SER H H 54 8.761 9.053 -0.292 1
1 557 . 20 1 1 A 54 54 SER HA H 54 5.760 5.756 0.004 1
1 560 . 20 1 1 A 54 54 SER CA C 54 57.180 57.261 -0.081 1
1 561 . 20 1 1 A 54 54 SER CB C 54 65.910 66.624 -0.714 1
1 562 . 20 1 1 A 54 54 SER N N 54 118.025 122.145 -4.120 1
1 563 . 20 1 1 A 55 55 TYR H H 55 9.340 8.540 0.800 1
1 564 . 20 1 1 A 55 55 TYR HA H 55 4.175 5.027 -0.852 1
1 571 . 20 1 1 A 55 55 TYR CA C 55 57.100 56.339 0.761 1
1 572 . 20 1 1 A 55 55 TYR CB C 55 39.870 41.047 -1.177 1
1 577 . 20 1 1 A 55 55 TYR N N 55 128.024 122.173 5.851 1
1 578 . 20 1 1 A 56 56 LYS H H 56 7.551 8.201 -0.650 1
1 579 . 20 1 1 A 56 56 LYS HA H 56 4.890 4.795 0.095 1
1 588 . 20 1 1 A 56 56 LYS CA C 56 54.117 54.451 -0.334 1
1 589 . 20 1 1 A 56 56 LYS CB C 56 33.610 33.694 -0.084 1
1 593 . 20 1 1 A 56 56 LYS N N 56 127.706 129.389 -1.683 1
1 594 . 20 1 1 A 57 57 TYR H H 57 8.247 9.251 -1.004 1
1 595 . 20 1 1 A 57 57 TYR HA H 57 3.996 4.791 -0.795 1
1 602 . 20 1 1 A 57 57 TYR CA C 57 59.032 58.160 0.872 1
1 603 . 20 1 1 A 57 57 TYR CB C 57 39.390 39.592 -0.202 1
1 608 . 20 1 1 A 57 57 TYR N N 57 124.225 125.703 -1.478 1
1 609 . 20 1 1 A 58 58 THR H H 58 8.722 8.830 -0.108 1
1 610 . 20 1 1 A 58 58 THR HA H 58 4.259 5.093 -0.834 1
1 615 . 20 1 1 A 58 58 THR CA C 58 62.250 59.849 2.401 1
1 616 . 20 1 1 A 58 58 THR CB C 58 69.280 71.177 -1.897 1
1 618 . 20 1 1 A 58 58 THR N N 58 116.096 114.872 1.224 1
1 619 . 20 1 1 A 59 59 SER H H 59 8.402 8.550 -0.148 1
1 620 . 20 1 1 A 59 59 SER HA H 59 4.050 4.588 -0.538 1
1 623 . 20 1 1 A 59 59 SER CA C 59 61.680 57.914 3.766 1
1 624 . 20 1 1 A 59 59 SER CB C 59 63.210 63.372 -0.162 1
1 625 . 20 1 1 A 59 59 SER N N 59 114.556 121.684 -7.128 1
1 626 . 20 1 1 A 60 60 ARG H H 60 8.176 7.898 0.278 1
1 627 . 20 1 1 A 60 60 ARG HA H 60 4.489 4.195 0.294 1
1 634 . 20 1 1 A 60 60 ARG CA C 60 54.960 57.544 -2.584 1
1 635 . 20 1 1 A 60 60 ARG CB C 60 29.846 29.782 0.064 1
1 638 . 20 1 1 A 60 60 ARG N N 60 118.244 118.715 -0.471 1
1 639 . 20 1 1 A 61 61 TYR H H 61 7.617 7.267 0.350 1
1 640 . 20 1 1 A 61 61 TYR HA H 61 3.897 5.220 -1.323 1
1 647 . 20 1 1 A 61 61 TYR CA C 61 61.930 55.938 5.992 1
1 648 . 20 1 1 A 61 61 TYR CB C 61 38.670 41.314 -2.644 1
1 653 . 20 1 1 A 61 61 TYR N N 61 122.301 116.212 6.089 1
1 654 . 20 1 1 A 62 62 VAL H H 62 7.363 8.772 -1.409 1
1 655 . 20 1 1 A 62 62 VAL HA H 62 3.893 4.519 -0.626 1
1 663 . 20 1 1 A 62 62 VAL CA C 62 60.590 61.463 -0.873 1
1 664 . 20 1 1 A 62 62 VAL CB C 62 35.270 33.283 1.987 1
1 667 . 20 1 1 A 62 62 VAL N N 62 129.952 119.914 10.038 1
1 668 . 20 1 1 A 63 63 LEU H H 63 7.852 9.211 -1.359 1
1 669 . 20 1 1 A 63 63 LEU HA H 63 4.558 5.007 -0.449 1
1 679 . 20 1 1 A 63 63 LEU CA C 63 51.980 53.793 -1.813 1
1 680 . 20 1 1 A 63 63 LEU CB C 63 42.600 43.611 -1.011 1
1 684 . 20 1 1 A 63 63 LEU N N 63 128.635 129.724 -1.089 1
1 685 . 20 1 1 A 64 64 LYS H H 64 8.770 8.381 0.389 1
1 686 . 20 1 1 A 64 64 LYS HA H 64 3.722 4.161 -0.439 1
1 695 . 20 1 1 A 64 64 LYS CA C 64 57.360 57.108 0.252 1
1 696 . 20 1 1 A 64 64 LYS CB C 64 32.381 33.154 -0.773 1
1 700 . 20 1 1 A 64 64 LYS N N 64 130.633 126.902 3.731 1
1 701 . 20 1 1 A 65 65 ALA H H 65 8.628 8.576 0.052 1
1 702 . 20 1 1 A 65 65 ALA HA H 65 3.557 3.949 -0.392 1
1 706 . 20 1 1 A 65 65 ALA CA C 65 53.700 53.835 -0.135 1
1 707 . 20 1 1 A 65 65 ALA CB C 65 18.660 18.474 0.186 1
1 708 . 20 1 1 A 65 65 ALA N N 65 123.214 125.680 -2.466 1
1 709 . 20 1 1 A 66 66 GLY H H 66 7.505 8.977 -1.472 1
1 710 . 20 1 1 A 66 66 GLY HA2 H 66 4.020 3.760 0.260 1
1 711 . 20 1 1 A 66 66 GLY HA3 H 66 4.020 3.764 0.256 1
1 712 . 20 1 1 A 66 66 GLY CA C 66 46.864 45.802 1.062 1
1 713 . 20 1 1 A 66 66 GLY N N 66 112.913 110.374 2.539 1
1 714 . 20 1 1 A 67 67 GLN H H 67 8.136 7.245 0.891 1
1 715 . 20 1 1 A 67 67 GLN HA H 67 4.436 4.722 -0.286 1
1 722 . 20 1 1 A 67 67 GLN CA C 67 55.029 54.246 0.783 1
1 723 . 20 1 1 A 67 67 GLN CB C 67 29.700 31.518 -1.818 1
1 725 . 20 1 1 A 67 67 GLN N N 67 118.759 120.235 -1.476 1
1 727 . 20 1 1 A 68 68 THR H H 68 8.066 8.630 -0.564 1
1 728 . 20 1 1 A 68 68 THR HA H 68 5.414 5.101 0.313 1
1 733 . 20 1 1 A 68 68 THR CA C 68 60.050 60.067 -0.017 1
1 734 . 20 1 1 A 68 68 THR CB C 68 72.052 71.534 0.518 1
1 736 . 20 1 1 A 68 68 THR N N 68 111.842 115.422 -3.580 1
1 737 . 20 1 1 A 69 69 VAL H H 69 8.780 8.762 0.018 1
1 738 . 20 1 1 A 69 69 VAL HA H 69 4.989 4.730 0.259 1
1 746 . 20 1 1 A 69 69 VAL CA C 69 59.265 60.253 -0.988 1
1 747 . 20 1 1 A 69 69 VAL CB C 69 33.600 35.110 -1.510 1
1 750 . 20 1 1 A 69 69 VAL N N 69 120.958 120.119 0.839 1
1 751 . 20 1 1 A 70 70 THR H H 70 8.660 8.811 -0.151 1
1 752 . 20 1 1 A 70 70 THR HA H 70 4.618 5.025 -0.407 1
1 757 . 20 1 1 A 70 70 THR CA C 70 61.730 61.930 -0.200 1
1 758 . 20 1 1 A 70 70 THR CB C 70 69.550 69.647 -0.097 1
1 760 . 20 1 1 A 70 70 THR N N 70 125.533 123.952 1.581 1
1 761 . 20 1 1 A 71 71 ILE H H 71 8.994 9.484 -0.490 1
1 762 . 20 1 1 A 71 71 ILE HA H 71 4.369 5.257 -0.888 1
1 772 . 20 1 1 A 71 71 ILE CA C 71 59.162 60.587 -1.425 1
1 773 . 20 1 1 A 71 71 ILE CB C 71 36.826 39.106 -2.280 1
1 777 . 20 1 1 A 71 71 ILE N N 71 127.838 127.939 -0.101 1
1 778 . 20 1 1 A 72 72 TRP H H 72 9.270 9.327 -0.057 1
1 779 . 20 1 1 A 72 72 TRP HA H 72 5.167 5.441 -0.274 1
1 788 . 20 1 1 A 72 72 TRP CA C 72 56.180 56.106 0.074 1
1 789 . 20 1 1 A 72 72 TRP CB C 72 31.490 33.765 -2.275 1
1 795 . 20 1 1 A 72 72 TRP N N 72 127.112 128.075 -0.963 1
1 797 . 20 1 1 A 73 73 ALA H H 73 9.010 9.177 -0.167 1
1 798 . 20 1 1 A 73 73 ALA HA H 73 4.617 4.746 -0.129 1
1 802 . 20 1 1 A 73 73 ALA CA C 73 52.110 51.810 0.300 1
1 803 . 20 1 1 A 73 73 ALA CB C 73 19.070 20.238 -1.168 1
1 804 . 20 1 1 A 73 73 ALA N N 73 122.140 123.536 -1.396 1
1 805 . 20 1 1 A 74 74 ALA H H 74 9.002 8.301 0.701 1
1 806 . 20 1 1 A 74 74 ALA HA H 74 4.042 4.135 -0.093 1
1 810 . 20 1 1 A 74 74 ALA CA C 74 54.650 55.625 -0.975 1
1 811 . 20 1 1 A 74 74 ALA CB C 74 18.070 18.969 -0.899 1
1 812 . 20 1 1 A 74 74 ALA N N 74 123.213 122.918 0.295 1
1 813 . 20 1 1 A 75 75 ASN H H 75 8.162 8.102 0.060 1
1 814 . 20 1 1 A 75 75 ASN HA H 75 5.015 5.047 -0.032 1
1 819 . 20 1 1 A 75 75 ASN CA C 75 51.650 51.964 -0.314 1
1 820 . 20 1 1 A 75 75 ASN CB C 75 36.590 38.838 -2.248 1
1 821 . 20 1 1 A 75 75 ASN N N 75 112.259 115.436 -3.177 1
1 823 . 20 1 1 A 76 76 ALA H H 76 7.605 7.972 -0.367 1
1 824 . 20 1 1 A 76 76 ALA HA H 76 4.281 4.402 -0.121 1
1 828 . 20 1 1 A 76 76 ALA CA C 76 53.203 51.945 1.258 1
1 829 . 20 1 1 A 76 76 ALA CB C 76 20.210 19.401 0.809 1
1 830 . 20 1 1 A 76 76 ALA N N 76 120.777 126.748 -5.971 1
1 831 . 20 1 1 A 77 77 GLY H H 77 8.449 8.029 0.420 1
1 832 . 20 1 1 A 77 77 GLY HA2 H 77 3.960 3.944 0.016 1
1 833 . 20 1 1 A 77 77 GLY HA3 H 77 3.537 3.972 -0.435 1
1 834 . 20 1 1 A 77 77 GLY CA C 77 45.410 44.971 0.439 1
1 835 . 20 1 1 A 77 77 GLY N N 77 107.064 107.246 -0.182 1
1 836 . 20 1 1 A 78 78 VAL H H 78 7.286 7.561 -0.275 1
1 837 . 20 1 1 A 78 78 VAL HA H 78 3.804 4.090 -0.286 1
1 845 . 20 1 1 A 78 78 VAL CA C 78 60.736 61.499 -0.763 1
1 846 . 20 1 1 A 78 78 VAL CB C 78 33.590 32.672 0.918 1
1 849 . 20 1 1 A 78 78 VAL N N 78 120.566 118.987 1.579 1
1 850 . 20 1 1 A 79 79 THR H H 79 8.148 8.302 -0.154 1
1 851 . 20 1 1 A 79 79 THR HA H 79 4.145 4.319 -0.174 1
1 856 . 20 1 1 A 79 79 THR CA C 79 61.395 62.124 -0.729 1
1 857 . 20 1 1 A 79 79 THR CB C 79 69.620 69.929 -0.309 1
1 859 . 20 1 1 A 79 79 THR N N 79 121.617 113.858 7.759 1
1 860 . 20 1 1 A 80 80 ALA H H 80 8.593 8.493 0.100 1
1 861 . 20 1 1 A 80 80 ALA HA H 80 3.703 4.120 -0.417 1
1 865 . 20 1 1 A 80 80 ALA CA C 80 53.410 54.973 -1.563 1
1 866 . 20 1 1 A 80 80 ALA CB C 80 19.180 18.949 0.231 1
1 867 . 20 1 1 A 80 80 ALA N N 80 126.311 125.642 0.669 1
1 868 . 20 1 1 A 81 81 SER H H 81 9.101 7.849 1.252 1
1 869 . 20 1 1 A 81 81 SER HA H 81 4.747 4.806 -0.059 1
1 872 . 20 1 1 A 81 81 SER CA C 81 55.046 55.378 -0.332 1
1 873 . 20 1 1 A 81 81 SER CB C 81 62.680 63.560 -0.880 1
1 874 . 20 1 1 A 81 81 SER N N 81 114.816 111.050 3.766 1
1 875 . 20 1 1 A 82 82 PRO HA H 82 4.328 4.330 -0.002 1
1 882 . 20 1 1 A 82 82 PRO CA C 82 62.158 64.898 -2.740 1
1 883 . 20 1 1 A 82 82 PRO CB C 82 30.480 31.647 -1.167 1
1 886 . 20 1 1 A 83 83 PRO HA H 83 4.821 4.663 0.158 1
1 893 . 20 1 1 A 83 83 PRO CA C 83 64.384 62.328 2.056 1
1 894 . 20 1 1 A 83 83 PRO CB C 83 34.750 31.723 3.027 1
1 897 . 20 1 1 A 84 84 THR H H 84 8.007 8.408 -0.401 1
1 898 . 20 1 1 A 84 84 THR HA H 84 4.567 4.399 0.168 1
1 903 . 20 1 1 A 84 84 THR CA C 84 64.770 62.110 2.660 1
1 904 . 20 1 1 A 84 84 THR CB C 84 69.370 69.861 -0.491 1
1 906 . 20 1 1 A 84 84 THR N N 84 114.629 111.246 3.383 1
1 907 . 20 1 1 A 85 85 ASP H H 85 7.952 7.926 0.026 1
1 908 . 20 1 1 A 85 85 ASP HA H 85 5.950 4.714 1.236 1
1 911 . 20 1 1 A 85 85 ASP CA C 85 54.110 54.843 -0.733 1
1 912 . 20 1 1 A 85 85 ASP CB C 85 43.510 41.611 1.899 1
1 913 . 20 1 1 A 85 85 ASP N N 85 124.539 121.508 3.031 1
1 914 . 20 1 1 A 86 86 LEU H H 86 9.271 9.169 0.102 1
1 915 . 20 1 1 A 86 86 LEU HA H 86 4.953 4.871 0.082 1
1 925 . 20 1 1 A 86 86 LEU CA C 86 52.230 53.891 -1.661 1
1 926 . 20 1 1 A 86 86 LEU CB C 86 44.070 42.426 1.644 1
1 930 . 20 1 1 A 86 86 LEU N N 86 124.265 125.932 -1.667 1
1 931 . 20 1 1 A 87 87 ILE H H 87 8.691 8.248 0.443 1
1 932 . 20 1 1 A 87 87 ILE HA H 87 4.802 4.308 0.494 1
1 942 . 20 1 1 A 87 87 ILE CA C 87 58.694 61.601 -2.907 1
1 943 . 20 1 1 A 87 87 ILE CB C 87 37.945 37.789 0.156 1
1 947 . 20 1 1 A 87 87 ILE N N 87 119.475 125.684 -6.209 1
1 948 . 20 1 1 A 88 88 TRP H H 88 9.755 9.063 0.692 1
1 949 . 20 1 1 A 88 88 TRP HA H 88 4.918 4.152 0.766 1
1 958 . 20 1 1 A 88 88 TRP CA C 88 54.900 55.436 -0.536 1
1 959 . 20 1 1 A 88 88 TRP CB C 88 27.270 28.349 -1.079 1
1 965 . 20 1 1 A 88 88 TRP N N 88 132.610 129.682 2.928 1
1 967 . 20 1 1 A 89 89 LYS H H 89 8.282 8.246 0.036 1
1 968 . 20 1 1 A 89 89 LYS HA H 89 3.996 4.360 -0.364 1
1 977 . 20 1 1 A 89 89 LYS CA C 89 58.847 58.338 0.509 1
1 978 . 20 1 1 A 89 89 LYS CB C 89 32.360 32.310 0.050 1
1 982 . 20 1 1 A 89 89 LYS N N 89 125.513 126.400 -0.887 1
1 983 . 20 1 1 A 90 90 ASN H H 90 8.810 8.283 0.527 1
1 984 . 20 1 1 A 90 90 ASN HA H 90 4.434 4.959 -0.525 1
1 989 . 20 1 1 A 90 90 ASN CA C 90 54.010 54.041 -0.031 1
1 990 . 20 1 1 A 90 90 ASN CB C 90 37.770 40.169 -2.399 1
1 991 . 20 1 1 A 90 90 ASN N N 90 114.946 115.272 -0.326 1
1 993 . 20 1 1 A 91 91 GLN H H 91 7.546 7.724 -0.178 1
1 994 . 20 1 1 A 91 91 GLN HA H 91 4.412 4.712 -0.300 1
1 1001 . 20 1 1 A 91 91 GLN CA C 91 53.520 55.647 -2.127 1
1 1002 . 20 1 1 A 91 91 GLN CB C 91 28.470 32.663 -4.193 1
1 1004 . 20 1 1 A 91 91 GLN N N 91 117.746 118.002 -0.256 1
1 1006 . 20 1 1 A 92 92 ASN H H 92 8.451 8.766 -0.315 1
1 1007 . 20 1 1 A 92 92 ASN HA H 92 4.876 4.949 -0.073 1
1 1012 . 20 1 1 A 92 92 ASN CA C 92 52.080 52.643 -0.563 1
1 1013 . 20 1 1 A 92 92 ASN CB C 92 39.400 39.592 -0.192 1
1 1014 . 20 1 1 A 92 92 ASN N N 92 123.697 123.243 0.454 1
1 1016 . 20 1 1 A 93 93 SER H H 93 9.337 8.595 0.742 1
1 1017 . 20 1 1 A 93 93 SER HA H 93 3.977 4.483 -0.506 1
1 1020 . 20 1 1 A 93 93 SER CA C 93 58.940 58.546 0.394 1
1 1021 . 20 1 1 A 93 93 SER CB C 93 62.940 63.906 -0.966 1
1 1022 . 20 1 1 A 93 93 SER N N 93 117.010 116.374 0.636 1
1 1023 . 20 1 1 A 94 94 TRP H H 94 7.857 8.103 -0.246 1
1 1024 . 20 1 1 A 94 94 TRP HA H 94 4.905 5.448 -0.543 1
1 1033 . 20 1 1 A 94 94 TRP CA C 94 56.770 55.176 1.594 1
1 1034 . 20 1 1 A 94 94 TRP CB C 94 27.900 33.113 -5.213 1
1 1039 . 20 1 1 A 94 94 TRP N N 94 120.449 120.183 0.266 1
1 1041 . 20 1 1 A 95 95 GLY H H 95 7.795 8.594 -0.799 1
1 1042 . 20 1 1 A 95 95 GLY HA2 H 95 3.953 4.161 -0.208 1
1 1043 . 20 1 1 A 95 95 GLY HA3 H 95 3.763 4.227 -0.464 1
1 1044 . 20 1 1 A 95 95 GLY CA C 95 45.487 45.748 -0.261 1
1 1045 . 20 1 1 A 95 95 GLY N N 95 109.481 106.882 2.599 1
1 1046 . 20 1 1 A 96 96 THR H H 96 8.028 8.261 -0.233 1
1 1047 . 20 1 1 A 96 96 THR HA H 96 4.696 4.330 0.366 1
1 1052 . 20 1 1 A 96 96 THR CA C 96 60.880 63.117 -2.237 1
1 1053 . 20 1 1 A 96 96 THR CB C 96 70.040 68.945 1.095 1
1 1055 . 20 1 1 A 96 96 THR N N 96 112.538 114.095 -1.557 1
1 1056 . 20 1 1 A 97 97 GLY H H 97 8.443 7.698 0.745 1
1 1057 . 20 1 1 A 97 97 GLY HA2 H 97 3.482 3.998 -0.516 1
1 1058 . 20 1 1 A 97 97 GLY HA3 H 97 3.862 4.010 -0.148 1
1 1059 . 20 1 1 A 97 97 GLY CA C 97 45.945 45.575 0.370 1
1 1060 . 20 1 1 A 97 97 GLY N N 97 111.464 109.622 1.842 1
1 1061 . 20 1 1 A 98 98 GLU H H 98 8.010 8.327 -0.317 1
1 1062 . 20 1 1 A 98 98 GLU HA H 98 4.471 4.236 0.235 1
1 1067 . 20 1 1 A 98 98 GLU CA C 98 54.730 58.902 -4.172 1
1 1068 . 20 1 1 A 98 98 GLU CB C 98 30.719 30.354 0.365 1
1 1070 . 20 1 1 A 98 98 GLU N N 98 118.563 119.079 -0.516 1
1 1071 . 20 1 1 A 99 99 ASP H H 99 8.680 7.749 0.931 1
1 1072 . 20 1 1 A 99 99 ASP HA H 99 4.612 5.019 -0.407 1
1 1075 . 20 1 1 A 99 99 ASP CA C 99 54.451 53.968 0.483 1
1 1076 . 20 1 1 A 99 99 ASP CB C 99 39.540 44.013 -4.473 1
1 1077 . 20 1 1 A 99 99 ASP N N 99 122.219 114.961 7.258 1
1 1078 . 20 1 1 A 100 100 VAL H H 100 8.215 8.388 -0.173 1
1 1079 . 20 1 1 A 100 100 VAL HA H 100 4.495 4.669 -0.174 1
1 1087 . 20 1 1 A 100 100 VAL CA C 100 60.920 60.870 0.050 1
1 1088 . 20 1 1 A 100 100 VAL CB C 100 34.150 32.960 1.190 1
1 1091 . 20 1 1 A 100 100 VAL N N 100 123.901 121.283 2.618 1
1 1092 . 20 1 1 A 101 101 LYS H H 101 8.600 8.498 0.102 1
1 1093 . 20 1 1 A 101 101 LYS HA H 101 5.112 4.959 0.153 1
1 1102 . 20 1 1 A 101 101 LYS CA C 101 54.718 55.610 -0.892 1
1 1103 . 20 1 1 A 101 101 LYS CB C 101 35.326 33.816 1.510 1
1 1107 . 20 1 1 A 101 101 LYS N N 101 126.635 130.477 -3.842 1
1 1108 . 20 1 1 A 102 102 VAL H H 102 9.209 9.100 0.109 1
1 1109 . 20 1 1 A 102 102 VAL HA H 102 5.405 5.034 0.371 1
1 1117 . 20 1 1 A 102 102 VAL CA C 102 59.950 61.027 -1.077 1
1 1118 . 20 1 1 A 102 102 VAL CB C 102 34.420 34.473 -0.053 1
1 1121 . 20 1 1 A 102 102 VAL N N 102 125.573 125.912 -0.339 1
1 1122 . 20 1 1 A 103 103 ILE H H 103 8.968 9.399 -0.431 1
1 1123 . 20 1 1 A 103 103 ILE HA H 103 4.671 4.954 -0.283 1
1 1133 . 20 1 1 A 103 103 ILE CA C 103 59.790 59.734 0.056 1
1 1134 . 20 1 1 A 103 103 ILE CB C 103 42.522 41.587 0.935 1
1 1138 . 20 1 1 A 103 103 ILE N N 103 125.593 127.025 -1.432 1
1 1139 . 20 1 1 A 104 104 LEU H H 104 9.017 9.308 -0.291 1
1 1140 . 20 1 1 A 104 104 LEU HA H 104 5.361 5.164 0.197 1
1 1150 . 20 1 1 A 104 104 LEU CA C 104 52.800 53.929 -1.129 1
1 1151 . 20 1 1 A 104 104 LEU CB C 104 46.200 43.098 3.102 1
1 1155 . 20 1 1 A 104 104 LEU N N 104 127.791 127.262 0.529 1
1 1156 . 20 1 1 A 105 105 LYS H H 105 9.674 9.095 0.579 1
1 1157 . 20 1 1 A 105 105 LYS HA H 105 5.194 4.795 0.399 1
1 1166 . 20 1 1 A 105 105 LYS CA C 105 53.780 53.600 0.180 1
1 1167 . 20 1 1 A 105 105 LYS CB C 105 36.330 34.845 1.485 1
1 1171 . 20 1 1 A 105 105 LYS N N 105 126.536 124.181 2.355 1
1 1172 . 20 1 1 A 106 106 ASN H H 106 7.774 9.018 -1.244 1
1 1173 . 20 1 1 A 106 106 ASN HA H 106 2.714 4.675 -1.961 1
1 1178 . 20 1 1 A 106 106 ASN CA C 106 49.530 51.682 -2.152 1
1 1179 . 20 1 1 A 106 106 ASN CB C 106 36.940 39.954 -3.014 1
1 1180 . 20 1 1 A 106 106 ASN N N 106 116.550 120.767 -4.217 1
1 1182 . 20 1 1 A 107 107 SER H H 107 6.988 8.713 -1.725 1
1 1183 . 20 1 1 A 107 107 SER HA H 107 4.092 4.102 -0.010 1
1 1186 . 20 1 1 A 107 107 SER CA C 107 60.490 61.310 -0.820 1
1 1187 . 20 1 1 A 107 107 SER CB C 107 62.510 62.998 -0.488 1
1 1188 . 20 1 1 A 107 107 SER N N 107 112.400 116.936 -4.536 1
1 1189 . 20 1 1 A 108 108 GLN H H 108 7.414 7.716 -0.302 1
1 1190 . 20 1 1 A 108 108 GLN HA H 108 4.404 4.359 0.045 1
1 1197 . 20 1 1 A 108 108 GLN CA C 108 55.470 55.467 0.003 1
1 1198 . 20 1 1 A 108 108 GLN CB C 108 28.400 28.679 -0.279 1
1 1200 . 20 1 1 A 108 108 GLN N N 108 119.000 116.780 2.220 1
1 1202 . 20 1 1 A 109 109 GLY H H 109 7.835 8.278 -0.443 1
1 1203 . 20 1 1 A 109 109 GLY HA2 H 109 4.136 3.927 0.209 1
1 1204 . 20 1 1 A 109 109 GLY HA3 H 109 3.530 3.927 -0.397 1
1 1205 . 20 1 1 A 109 109 GLY CA C 109 45.549 44.933 0.616 1
1 1206 . 20 1 1 A 109 109 GLY N N 109 107.333 108.104 -0.771 1
1 1207 . 20 1 1 A 110 110 GLU H H 110 7.562 8.043 -0.481 1
1 1208 . 20 1 1 A 110 110 GLU HA H 110 4.209 4.313 -0.104 1
1 1213 . 20 1 1 A 110 110 GLU CA C 110 54.320 56.672 -2.352 1
1 1214 . 20 1 1 A 110 110 GLU CB C 110 29.760 30.003 -0.243 1
1 1216 . 20 1 1 A 110 110 GLU N N 110 120.137 120.513 -0.376 1
1 1217 . 20 1 1 A 111 111 GLU H H 111 8.799 8.631 0.168 1
1 1218 . 20 1 1 A 111 111 GLU HA H 111 4.194 4.690 -0.496 1
1 1223 . 20 1 1 A 111 111 GLU CA C 111 57.160 56.101 1.059 1
1 1224 . 20 1 1 A 111 111 GLU CB C 111 29.175 31.088 -1.913 1
1 1226 . 20 1 1 A 111 111 GLU N N 111 123.867 125.130 -1.263 1
1 1227 . 20 1 1 A 112 112 VAL H H 112 9.093 8.742 0.351 1
1 1228 . 20 1 1 A 112 112 VAL HA H 112 4.330 4.294 0.036 1
1 1236 . 20 1 1 A 112 112 VAL CA C 112 61.529 62.727 -1.198 1
1 1237 . 20 1 1 A 112 112 VAL CB C 112 33.230 33.025 0.205 1
1 1240 . 20 1 1 A 112 112 VAL N N 112 122.642 122.284 0.358 1
1 1241 . 20 1 1 A 113 113 ALA H H 113 7.793 7.682 0.111 1
1 1242 . 20 1 1 A 113 113 ALA HA H 113 4.770 4.854 -0.084 1
1 1246 . 20 1 1 A 113 113 ALA CA C 113 52.449 50.470 1.979 1
1 1247 . 20 1 1 A 113 113 ALA CB C 113 22.400 22.744 -0.344 1
1 1248 . 20 1 1 A 113 113 ALA N N 113 121.070 123.858 -2.788 1
1 1249 . 20 1 1 A 114 114 GLN H H 114 8.450 9.069 -0.619 1
1 1250 . 20 1 1 A 114 114 GLN HA H 114 5.404 5.284 0.120 1
1 1257 . 20 1 1 A 114 114 GLN CA C 114 54.830 54.441 0.389 1
1 1258 . 20 1 1 A 114 114 GLN CB C 114 32.307 32.891 -0.584 1
1 1260 . 20 1 1 A 114 114 GLN N N 114 115.851 115.883 -0.032 1
1 1262 . 20 1 1 A 115 115 ARG H H 115 8.989 8.557 0.432 1
1 1263 . 20 1 1 A 115 115 ARG HA H 115 4.555 4.729 -0.174 1
1 1270 . 20 1 1 A 115 115 ARG CA C 115 56.350 55.867 0.483 1
1 1271 . 20 1 1 A 115 115 ARG CB C 115 33.730 34.120 -0.390 1
1 1274 . 20 1 1 A 115 115 ARG N N 115 122.920 120.858 2.062 1
1 1275 . 20 1 1 A 116 116 SER H H 116 8.511 8.513 -0.002 1
1 1276 . 20 1 1 A 116 116 SER HA H 116 5.756 5.337 0.419 1
1 1279 . 20 1 1 A 116 116 SER CA C 116 56.400 56.483 -0.083 1
1 1280 . 20 1 1 A 116 116 SER CB C 116 65.770 64.603 1.167 1
1 1281 . 20 1 1 A 116 116 SER N N 116 119.807 120.052 -0.245 1
1 1282 . 20 1 1 A 117 117 THR H H 117 8.801 8.744 0.057 1
1 1283 . 20 1 1 A 117 117 THR HA H 117 4.378 4.239 0.139 1
1 1288 . 20 1 1 A 117 117 THR CA C 117 62.160 63.291 -1.131 1
1 1289 . 20 1 1 A 117 117 THR CB C 117 70.010 68.507 1.503 1
1 1291 . 20 1 1 A 117 117 THR N N 117 116.435 116.418 0.017 1
1 1292 . 20 1 1 A 118 118 VAL H H 118 8.165 7.353 0.812 1
1 1293 . 20 1 1 A 118 118 VAL HA H 118 4.227 4.223 0.004 1
1 1301 . 20 1 1 A 118 118 VAL CA C 118 61.320 60.698 0.622 1
1 1302 . 20 1 1 A 118 118 VAL CB C 118 32.931 34.353 -1.422 1
1 1305 . 20 1 1 A 118 118 VAL N N 118 122.111 120.042 2.069 1
1 1306 . 20 1 1 A 119 119 PHE H H 119 8.580 8.210 0.370 1
1 1307 . 20 1 1 A 119 119 PHE HA H 119 4.655 4.613 0.042 1
1 1314 . 20 1 1 A 119 119 PHE CA C 119 57.520 57.687 -0.167 1
1 1315 . 20 1 1 A 119 119 PHE CB C 119 39.550 39.075 0.475 1
1 1320 . 20 1 1 A 119 119 PHE N N 119 126.006 125.999 0.007 1
1 1321 . 20 1 1 A 120 120 LYS H H 120 8.346 7.775 0.571 1
1 1322 . 20 1 1 A 120 120 LYS HA H 120 4.432 4.150 0.282 1
1 1331 . 20 1 1 A 120 120 LYS CA C 120 55.740 58.369 -2.629 1
1 1332 . 20 1 1 A 120 120 LYS CB C 120 33.290 32.282 1.008 1
1 1336 . 20 1 1 A 120 120 LYS N N 120 124.095 120.256 3.839 1
1 1337 . 20 1 1 A 121 121 THR H H 121 8.294 7.976 0.318 1
1 1338 . 20 1 1 A 121 121 THR HA H 121 4.394 4.152 0.242 1
1 1343 . 20 1 1 A 121 121 THR CA C 121 61.610 64.240 -2.630 1
1 1344 . 20 1 1 A 121 121 THR CB C 121 69.640 68.479 1.161 1
1 1346 . 20 1 1 A 121 121 THR N N 121 116.359 113.196 3.163 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 119 1.384 1
3 1 1 1 "RMS(OBS, PRED)" CB 109 1.713 1
4 1 1 1 "RMS(OBS, PRED)" H 116 0.550 1
5 1 1 1 "RMS(OBS, PRED)" HA 129 0.384 1
6 1 1 1 "RMS(OBS, PRED)" N 116 3.245 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 119 1.469 1
9 1 2 1 "RMS(OBS, PRED)" CB 109 1.546 1
10 1 2 1 "RMS(OBS, PRED)" H 116 0.602 1
11 1 2 1 "RMS(OBS, PRED)" HA 129 0.429 1
12 1 2 1 "RMS(OBS, PRED)" N 116 3.314 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 119 1.490 1
15 1 3 1 "RMS(OBS, PRED)" CB 109 1.507 1
16 1 3 1 "RMS(OBS, PRED)" H 116 0.614 1
17 1 3 1 "RMS(OBS, PRED)" HA 129 0.474 1
18 1 3 1 "RMS(OBS, PRED)" N 116 3.282 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 119 1.405 1
21 1 4 1 "RMS(OBS, PRED)" CB 109 1.639 1
22 1 4 1 "RMS(OBS, PRED)" H 116 0.605 1
23 1 4 1 "RMS(OBS, PRED)" HA 129 0.419 1
24 1 4 1 "RMS(OBS, PRED)" N 116 3.399 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 119 1.453 1
27 1 5 1 "RMS(OBS, PRED)" CB 109 1.717 1
28 1 5 1 "RMS(OBS, PRED)" H 116 0.557 1
29 1 5 1 "RMS(OBS, PRED)" HA 129 0.451 1
30 1 5 1 "RMS(OBS, PRED)" N 116 3.199 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 119 1.517 1
33 1 6 1 "RMS(OBS, PRED)" CB 109 1.678 1
34 1 6 1 "RMS(OBS, PRED)" H 116 0.604 1
35 1 6 1 "RMS(OBS, PRED)" HA 129 0.434 1
36 1 6 1 "RMS(OBS, PRED)" N 116 3.407 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 119 1.403 1
39 1 7 1 "RMS(OBS, PRED)" CB 109 1.833 1
40 1 7 1 "RMS(OBS, PRED)" H 116 0.568 1
41 1 7 1 "RMS(OBS, PRED)" HA 129 0.427 1
42 1 7 1 "RMS(OBS, PRED)" N 116 3.270 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 119 1.415 1
45 1 8 1 "RMS(OBS, PRED)" CB 109 1.839 1
46 1 8 1 "RMS(OBS, PRED)" H 116 0.558 1
47 1 8 1 "RMS(OBS, PRED)" HA 129 0.474 1
48 1 8 1 "RMS(OBS, PRED)" N 116 3.493 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 119 1.414 1
51 1 9 1 "RMS(OBS, PRED)" CB 109 1.785 1
52 1 9 1 "RMS(OBS, PRED)" H 116 0.584 1
53 1 9 1 "RMS(OBS, PRED)" HA 129 0.439 1
54 1 9 1 "RMS(OBS, PRED)" N 116 3.421 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 119 1.470 1
57 1 10 1 "RMS(OBS, PRED)" CB 109 1.567 1
58 1 10 1 "RMS(OBS, PRED)" H 116 0.590 1
59 1 10 1 "RMS(OBS, PRED)" HA 129 0.446 1
60 1 10 1 "RMS(OBS, PRED)" N 116 3.261 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 119 1.529 1
63 1 11 1 "RMS(OBS, PRED)" CB 109 1.712 1
64 1 11 1 "RMS(OBS, PRED)" H 116 0.528 1
65 1 11 1 "RMS(OBS, PRED)" HA 129 0.420 1
66 1 11 1 "RMS(OBS, PRED)" N 116 3.216 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 119 1.533 1
69 1 12 1 "RMS(OBS, PRED)" CB 109 1.940 1
70 1 12 1 "RMS(OBS, PRED)" H 116 0.591 1
71 1 12 1 "RMS(OBS, PRED)" HA 129 0.446 1
72 1 12 1 "RMS(OBS, PRED)" N 116 3.314 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 119 1.591 1
75 1 13 1 "RMS(OBS, PRED)" CB 109 1.742 1
76 1 13 1 "RMS(OBS, PRED)" H 116 0.587 1
77 1 13 1 "RMS(OBS, PRED)" HA 129 0.428 1
78 1 13 1 "RMS(OBS, PRED)" N 116 3.452 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 119 1.484 1
81 1 14 1 "RMS(OBS, PRED)" CB 109 1.663 1
82 1 14 1 "RMS(OBS, PRED)" H 116 0.599 1
83 1 14 1 "RMS(OBS, PRED)" HA 129 0.446 1
84 1 14 1 "RMS(OBS, PRED)" N 116 3.153 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 119 1.354 1
87 1 15 1 "RMS(OBS, PRED)" CB 109 1.563 1
88 1 15 1 "RMS(OBS, PRED)" H 116 0.572 1
89 1 15 1 "RMS(OBS, PRED)" HA 129 0.447 1
90 1 15 1 "RMS(OBS, PRED)" N 116 3.352 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 119 1.503 1
93 1 16 1 "RMS(OBS, PRED)" CB 109 1.638 1
94 1 16 1 "RMS(OBS, PRED)" H 116 0.566 1
95 1 16 1 "RMS(OBS, PRED)" HA 129 0.389 1
96 1 16 1 "RMS(OBS, PRED)" N 116 3.380 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 119 1.462 1
99 1 17 1 "RMS(OBS, PRED)" CB 109 1.780 1
100 1 17 1 "RMS(OBS, PRED)" H 116 0.603 1
101 1 17 1 "RMS(OBS, PRED)" HA 129 0.469 1
102 1 17 1 "RMS(OBS, PRED)" N 116 3.196 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 119 1.450 1
105 1 18 1 "RMS(OBS, PRED)" CB 109 1.635 1
106 1 18 1 "RMS(OBS, PRED)" H 116 0.545 1
107 1 18 1 "RMS(OBS, PRED)" HA 129 0.447 1
108 1 18 1 "RMS(OBS, PRED)" N 116 3.222 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 119 1.337 1
111 1 19 1 "RMS(OBS, PRED)" CB 109 1.730 1
112 1 19 1 "RMS(OBS, PRED)" H 116 0.580 1
113 1 19 1 "RMS(OBS, PRED)" HA 129 0.424 1
114 1 19 1 "RMS(OBS, PRED)" N 116 3.407 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 119 1.486 1
117 1 20 1 "RMS(OBS, PRED)" CB 109 1.765 1
118 1 20 1 "RMS(OBS, PRED)" H 116 0.622 1
119 1 20 1 "RMS(OBS, PRED)" HA 129 0.448 1
120 1 20 1 "RMS(OBS, PRED)" N 116 3.325 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 3 3 HIS H H 3 8.528 8.232 0.296 2
1 2 . 1 1 A 3 3 HIS HA H 3 4.626 4.733 -0.107 2
1 5 . 1 1 A 3 3 HIS CA C 3 55.260 55.845 -0.585 2
1 6 . 1 1 A 3 3 HIS CB C 3 29.250 30.488 -1.237 2
1 7 . 1 1 A 3 3 HIS N N 3 118.990 119.250 -0.260 2
1 8 . 1 1 A 4 4 HIS H H 4 8.528 8.143 0.385 2
1 9 . 1 1 A 4 4 HIS HA H 4 4.624 4.760 -0.136 2
1 12 . 1 1 A 4 4 HIS CA C 4 55.277 55.228 0.049 2
1 13 . 1 1 A 4 4 HIS CB C 4 29.002 30.849 -1.847 2
1 14 . 1 1 A 4 4 HIS N N 4 118.990 119.019 -0.029 2
1 15 . 1 1 A 5 5 HIS H H 5 8.579 8.566 0.013 2
1 16 . 1 1 A 5 5 HIS HA H 5 4.737 4.760 -0.023 2
1 19 . 1 1 A 5 5 HIS CA C 5 55.330 55.378 -0.048 2
1 20 . 1 1 A 5 5 HIS CB C 5 29.257 31.166 -1.909 2
1 21 . 1 1 A 5 5 HIS N N 5 119.720 120.435 -0.715 2
1 22 . 1 1 A 6 6 HIS H H 6 8.603 8.506 0.097 2
1 23 . 1 1 A 6 6 HIS HA H 6 4.674 4.789 -0.115 2
1 26 . 1 1 A 6 6 HIS CA C 6 55.150 55.064 0.086 2
1 27 . 1 1 A 6 6 HIS CB C 6 27.340 31.437 -4.097 2
1 28 . 1 1 A 6 6 HIS N N 6 121.420 120.036 1.384 2
1 29 . 1 1 A 7 7 HIS H H 7 8.706 8.565 0.141 2
1 30 . 1 1 A 7 7 HIS HA H 7 4.658 4.828 -0.170 2
1 33 . 1 1 A 7 7 HIS CA C 7 55.100 55.016 0.084 2
1 34 . 1 1 A 7 7 HIS CB C 7 29.300 31.039 -1.739 2
1 35 . 1 1 A 7 7 HIS N N 7 121.200 120.246 0.954 2
1 36 . 1 1 A 8 8 HIS H H 8 8.706 8.504 0.202 2
1 37 . 1 1 A 8 8 HIS HA H 8 4.706 4.859 -0.153 2
1 40 . 1 1 A 8 8 HIS CA C 8 55.156 55.106 0.050 2
1 41 . 1 1 A 8 8 HIS CB C 8 29.396 31.146 -1.750 2
1 42 . 1 1 A 8 8 HIS N N 8 121.200 121.906 -0.706 2
1 43 . 1 1 A 9 9 SER H H 9 8.551 8.477 0.074 2
1 44 . 1 1 A 9 9 SER HA H 9 4.450 4.650 -0.200 2
1 47 . 1 1 A 9 9 SER CA C 9 58.200 57.367 0.833 2
1 48 . 1 1 A 9 9 SER CB C 9 63.740 64.564 -0.824 2
1 49 . 1 1 A 9 9 SER N N 9 118.046 118.306 -0.260 2
1 50 . 1 1 A 10 10 HIS H H 10 8.770 8.726 0.044 2
1 51 . 1 1 A 10 10 HIS HA H 10 4.726 4.934 -0.208 2
1 54 . 1 1 A 10 10 HIS CA C 10 55.640 55.197 0.443 2
1 55 . 1 1 A 10 10 HIS CB C 10 29.172 30.958 -1.786 2
1 56 . 1 1 A 10 10 HIS N N 10 120.412 122.035 -1.624 2
1 57 . 1 1 A 11 11 MET H H 11 8.528 8.606 -0.078 2
1 58 . 1 1 A 11 11 MET HA H 11 4.658 4.778 -0.120 2
1 66 . 1 1 A 11 11 MET CA C 11 55.438 54.425 1.013 2
1 67 . 1 1 A 11 11 MET CB C 11 33.090 33.873 -0.783 2
1 70 . 1 1 A 11 11 MET N N 11 122.400 122.458 -0.058 2
1 71 . 1 1 A 12 12 THR H H 12 8.339 8.710 -0.371 2
1 72 . 1 1 A 12 12 THR HA H 12 4.450 4.435 0.015 2
1 77 . 1 1 A 12 12 THR CA C 12 61.810 62.456 -0.646 2
1 78 . 1 1 A 12 12 THR CB C 12 70.450 69.848 0.602 2
1 80 . 1 1 A 12 12 THR N N 12 115.700 117.215 -1.515 2
1 81 . 1 1 A 13 13 GLY H H 13 8.426 8.221 0.205 2
1 82 . 1 1 A 13 13 GLY HA2 H 13 4.287 4.018 0.269 2
1 83 . 1 1 A 13 13 GLY HA3 H 13 3.877 4.127 -0.250 2
1 84 . 1 1 A 13 13 GLY CA C 13 45.243 46.125 -0.882 2
1 85 . 1 1 A 13 13 GLY N N 13 110.872 110.447 0.425 2
1 86 . 1 1 A 14 14 ASN H H 14 8.374 8.630 -0.256 2
1 87 . 1 1 A 14 14 ASN HA H 14 4.720 5.031 -0.311 2
1 92 . 1 1 A 14 14 ASN CA C 14 54.200 52.892 1.308 2
1 93 . 1 1 A 14 14 ASN CB C 14 39.210 38.779 0.431 2
1 94 . 1 1 A 14 14 ASN N N 14 117.789 120.634 -2.845 2
1 96 . 1 1 A 15 15 VAL H H 15 7.890 8.171 -0.281 2
1 97 . 1 1 A 15 15 VAL HA H 15 4.843 4.512 0.331 2
1 105 . 1 1 A 15 15 VAL CA C 15 61.759 61.391 0.368 2
1 106 . 1 1 A 15 15 VAL CB C 15 33.230 32.551 0.679 2
1 109 . 1 1 A 15 15 VAL N N 15 118.720 122.379 -3.658 2
1 110 . 1 1 A 16 16 CYS H H 16 9.060 8.823 0.237 2
1 111 . 1 1 A 16 16 CYS HA H 16 4.899 5.171 -0.272 2
1 114 . 1 1 A 16 16 CYS CA C 16 54.620 56.921 -2.301 2
1 115 . 1 1 A 16 16 CYS CB C 16 30.900 31.220 -0.320 2
1 116 . 1 1 A 16 16 CYS N N 16 122.674 125.089 -2.415 2
1 117 . 1 1 A 17 17 ILE H H 17 8.845 8.843 0.002 2
1 118 . 1 1 A 17 17 ILE HA H 17 4.153 4.146 0.007 2
1 128 . 1 1 A 17 17 ILE CA C 17 61.080 61.623 -0.543 2
1 129 . 1 1 A 17 17 ILE CB C 17 36.397 37.407 -1.010 2
1 133 . 1 1 A 17 17 ILE N N 17 122.609 123.525 -0.916 2
1 134 . 1 1 A 18 18 GLU H H 18 8.917 9.009 -0.092 2
1 135 . 1 1 A 18 18 GLU HA H 18 4.230 4.259 -0.029 2
1 140 . 1 1 A 18 18 GLU CA C 18 57.160 58.388 -1.228 2
1 141 . 1 1 A 18 18 GLU CB C 18 30.550 30.804 -0.254 2
1 143 . 1 1 A 18 18 GLU N N 18 130.894 129.541 1.353 2
1 144 . 1 1 A 19 19 GLU H H 19 7.853 7.548 0.305 2
1 145 . 1 1 A 19 19 GLU HA H 19 4.470 4.746 -0.276 2
1 150 . 1 1 A 19 19 GLU CA C 19 56.110 55.950 0.160 2
1 151 . 1 1 A 19 19 GLU CB C 19 33.847 33.293 0.554 2
1 153 . 1 1 A 19 19 GLU N N 19 115.069 117.990 -2.921 2
1 154 . 1 1 A 20 20 ILE H H 20 8.744 8.889 -0.145 2
1 155 . 1 1 A 20 20 ILE HA H 20 4.080 4.593 -0.513 2
1 165 . 1 1 A 20 20 ILE CA C 20 60.619 59.989 0.629 2
1 166 . 1 1 A 20 20 ILE CB C 20 39.170 40.132 -0.962 2
1 170 . 1 1 A 20 20 ILE N N 20 127.309 126.212 1.097 2
1 171 . 1 1 A 21 21 ASP H H 21 7.468 8.343 -0.875 2
1 172 . 1 1 A 21 21 ASP HA H 21 3.949 4.354 -0.405 2
1 175 . 1 1 A 21 21 ASP CA C 21 54.970 54.270 0.700 2
1 176 . 1 1 A 21 21 ASP CB C 21 42.170 41.586 0.584 2
1 177 . 1 1 A 21 21 ASP N N 21 124.858 127.039 -2.181 2
1 178 . 1 1 A 22 22 VAL H H 22 8.650 8.634 0.016 2
1 179 . 1 1 A 22 22 VAL HA H 22 3.998 4.055 -0.057 2
1 187 . 1 1 A 22 22 VAL CA C 22 64.445 64.285 0.160 2
1 188 . 1 1 A 22 22 VAL CB C 22 31.244 32.097 -0.853 2
1 191 . 1 1 A 22 22 VAL N N 22 130.172 126.061 4.111 2
1 192 . 1 1 A 23 23 ASP H H 23 7.482 7.725 -0.243 2
1 193 . 1 1 A 23 23 ASP HA H 23 4.711 4.543 0.168 2
1 196 . 1 1 A 23 23 ASP CA C 23 53.920 54.739 -0.819 2
1 197 . 1 1 A 23 23 ASP CB C 23 40.100 41.405 -1.305 2
1 198 . 1 1 A 23 23 ASP N N 23 118.547 120.105 -1.558 2
1 199 . 1 1 A 24 24 GLY H H 24 7.220 7.524 -0.304 2
1 200 . 1 1 A 24 24 GLY HA2 H 24 2.950 2.726 0.224 2
1 201 . 1 1 A 24 24 GLY HA3 H 24 2.407 3.325 -0.918 2
1 202 . 1 1 A 24 24 GLY CA C 24 45.040 44.660 0.380 2
1 203 . 1 1 A 24 24 GLY N N 24 105.293 106.728 -1.435 2
1 204 . 1 1 A 25 25 LYS H H 25 8.757 7.853 0.904 2
1 205 . 1 1 A 25 25 LYS HA H 25 3.964 4.126 -0.162 2
1 214 . 1 1 A 25 25 LYS CA C 25 56.590 56.855 -0.265 2
1 215 . 1 1 A 25 25 LYS CB C 25 33.660 33.922 -0.262 2
1 219 . 1 1 A 25 25 LYS N N 25 111.753 117.420 -5.667 2
1 220 . 1 1 A 26 26 PHE H H 26 6.380 7.441 -1.061 2
1 221 . 1 1 A 26 26 PHE HA H 26 5.753 5.394 0.359 2
1 229 . 1 1 A 26 26 PHE CA C 26 56.370 56.122 0.248 2
1 230 . 1 1 A 26 26 PHE CB C 26 40.030 40.991 -0.961 2
1 236 . 1 1 A 26 26 PHE N N 26 110.097 114.402 -4.305 2
1 237 . 1 1 A 27 27 ILE H H 27 8.601 8.880 -0.278 2
1 238 . 1 1 A 27 27 ILE HA H 27 4.506 4.848 -0.342 2
1 248 . 1 1 A 27 27 ILE CA C 27 60.905 60.435 0.470 2
1 249 . 1 1 A 27 27 ILE CB C 27 43.249 40.718 2.531 2
1 253 . 1 1 A 27 27 ILE N N 27 119.676 120.150 -0.474 2
1 254 . 1 1 A 28 28 ARG H H 28 9.290 9.036 0.254 2
1 255 . 1 1 A 28 28 ARG HA H 28 5.561 5.023 0.538 2
1 262 . 1 1 A 28 28 ARG CA C 28 54.650 55.164 -0.514 2
1 263 . 1 1 A 28 28 ARG CB C 28 34.180 32.158 2.022 2
1 266 . 1 1 A 28 28 ARG N N 28 127.516 128.560 -1.043 2
1 267 . 1 1 A 29 29 LEU H H 29 9.502 9.157 0.345 2
1 268 . 1 1 A 29 29 LEU HA H 29 5.306 4.987 0.319 2
1 278 . 1 1 A 29 29 LEU CA C 29 54.010 53.386 0.624 2
1 279 . 1 1 A 29 29 LEU CB C 29 44.020 43.951 0.069 2
1 283 . 1 1 A 29 29 LEU N N 29 126.696 128.184 -1.488 2
1 284 . 1 1 A 30 30 LYS H H 30 8.641 8.863 -0.222 2
1 285 . 1 1 A 30 30 LYS HA H 30 5.108 4.878 0.230 2
1 294 . 1 1 A 30 30 LYS CA C 30 54.660 55.218 -0.558 2
1 295 . 1 1 A 30 30 LYS CB C 30 38.070 36.052 2.018 2
1 299 . 1 1 A 30 30 LYS N N 30 118.761 121.890 -3.129 2
1 300 . 1 1 A 31 31 ASN H H 31 8.397 8.820 -0.423 2
1 301 . 1 1 A 31 31 ASN HA H 31 5.319 4.924 0.395 2
1 306 . 1 1 A 31 31 ASN CA C 31 50.690 52.567 -1.877 2
1 307 . 1 1 A 31 31 ASN CB C 31 37.490 38.843 -1.353 2
1 308 . 1 1 A 31 31 ASN N N 31 123.996 124.679 -0.683 2
1 310 . 1 1 A 32 32 THR H H 32 8.455 8.565 -0.110 2
1 311 . 1 1 A 32 32 THR HA H 32 4.302 4.589 -0.287 2
1 316 . 1 1 A 32 32 THR CA C 32 61.492 61.508 -0.016 2
1 317 . 1 1 A 32 32 THR CB C 32 68.110 69.140 -1.030 2
1 319 . 1 1 A 32 32 THR N N 32 115.755 119.566 -3.811 2
1 320 . 1 1 A 33 33 SER H H 33 8.487 7.814 0.673 2
1 321 . 1 1 A 33 33 SER HA H 33 4.793 4.523 0.270 2
1 324 . 1 1 A 33 33 SER CA C 33 57.500 57.725 -0.225 2
1 325 . 1 1 A 33 33 SER CB C 33 66.510 64.958 1.552 2
1 326 . 1 1 A 33 33 SER N N 33 120.037 118.837 1.200 2
1 327 . 1 1 A 34 34 GLU H H 34 8.355 8.766 -0.411 2
1 328 . 1 1 A 34 34 GLU HA H 34 4.335 4.363 -0.028 2
1 333 . 1 1 A 34 34 GLU CA C 34 55.840 57.414 -1.574 2
1 334 . 1 1 A 34 34 GLU CB C 34 28.930 30.366 -1.436 2
1 336 . 1 1 A 34 34 GLU N N 34 116.545 121.576 -5.030 2
1 337 . 1 1 A 35 35 GLN H H 35 8.634 7.584 1.050 2
1 338 . 1 1 A 35 35 GLN HA H 35 4.664 4.761 -0.097 2
1 345 . 1 1 A 35 35 GLN CA C 35 53.740 54.541 -0.801 2
1 346 . 1 1 A 35 35 GLN CB C 35 31.696 32.320 -0.624 2
1 348 . 1 1 A 35 35 GLN N N 35 120.013 119.952 0.061 2
1 350 . 1 1 A 36 36 ASP H H 36 8.859 8.645 0.214 2
1 351 . 1 1 A 36 36 ASP HA H 36 4.050 4.715 -0.665 2
1 354 . 1 1 A 36 36 ASP CA C 36 54.640 54.552 0.088 2
1 355 . 1 1 A 36 36 ASP CB C 36 40.120 40.701 -0.581 2
1 356 . 1 1 A 36 36 ASP N N 36 124.552 123.110 1.442 2
1 357 . 1 1 A 37 37 GLN H H 37 8.141 8.689 -0.548 2
1 358 . 1 1 A 37 37 GLN HA H 37 4.786 4.776 0.010 2
1 365 . 1 1 A 37 37 GLN CA C 37 50.858 52.391 -1.533 2
1 366 . 1 1 A 37 37 GLN CB C 37 31.860 29.586 2.274 2
1 368 . 1 1 A 37 37 GLN N N 37 120.015 123.111 -3.096 2
1 370 . 1 1 A 38 38 PRO HA H 38 4.367 4.533 -0.166 2
1 377 . 1 1 A 38 38 PRO CA C 38 63.330 62.859 0.471 2
1 378 . 1 1 A 38 38 PRO CB C 38 31.750 31.891 -0.141 2
1 381 . 1 1 A 39 39 MET H H 39 8.392 8.427 -0.035 2
1 382 . 1 1 A 39 39 MET HA H 39 2.792 3.997 -1.205 2
1 390 . 1 1 A 39 39 MET CA C 39 53.780 57.233 -3.453 2
1 391 . 1 1 A 39 39 MET CB C 39 34.410 32.615 1.795 2
1 394 . 1 1 A 39 39 MET N N 39 124.427 121.947 2.480 2
1 395 . 1 1 A 40 40 GLY H H 40 7.940 8.187 -0.247 2
1 396 . 1 1 A 40 40 GLY HA2 H 40 4.154 3.839 0.315 2
1 397 . 1 1 A 40 40 GLY HA3 H 40 3.763 3.953 -0.190 2
1 398 . 1 1 A 40 40 GLY CA C 40 48.114 45.911 2.202 2
1 399 . 1 1 A 40 40 GLY N N 40 108.664 107.455 1.209 2
1 400 . 1 1 A 41 41 GLY H H 41 7.959 8.212 -0.253 2
1 401 . 1 1 A 41 41 GLY HA2 H 41 4.323 4.003 0.320 2
1 402 . 1 1 A 41 41 GLY HA3 H 41 3.769 4.062 -0.293 2
1 403 . 1 1 A 41 41 GLY CA C 41 46.020 45.868 0.152 2
1 404 . 1 1 A 41 41 GLY N N 41 114.027 108.035 5.992 2
1 405 . 1 1 A 42 42 TRP H H 42 8.667 8.287 0.380 2
1 406 . 1 1 A 42 42 TRP HA H 42 4.408 5.029 -0.621 2
1 415 . 1 1 A 42 42 TRP CA C 42 58.925 56.716 2.209 2
1 416 . 1 1 A 42 42 TRP CB C 42 28.120 32.058 -3.938 2
1 422 . 1 1 A 42 42 TRP N N 42 122.097 122.425 -0.328 2
1 424 . 1 1 A 43 43 GLU H H 43 8.740 9.093 -0.353 2
1 425 . 1 1 A 43 43 GLU HA H 43 5.462 5.151 0.311 2
1 430 . 1 1 A 43 43 GLU CA C 43 54.410 55.182 -0.772 2
1 431 . 1 1 A 43 43 GLU CB C 43 33.980 32.922 1.058 2
1 433 . 1 1 A 43 43 GLU N N 43 120.300 121.981 -1.681 2
1 434 . 1 1 A 44 44 MET H H 44 9.658 9.382 0.276 2
1 435 . 1 1 A 44 44 MET HA H 44 5.488 5.247 0.241 2
1 443 . 1 1 A 44 44 MET CA C 44 53.360 54.164 -0.804 2
1 444 . 1 1 A 44 44 MET CB C 44 37.490 34.408 3.082 2
1 447 . 1 1 A 44 44 MET N N 44 126.477 127.074 -0.597 2
1 448 . 1 1 A 45 45 ILE H H 45 9.658 9.275 0.383 2
1 449 . 1 1 A 45 45 ILE HA H 45 4.781 4.771 0.010 2
1 459 . 1 1 A 45 45 ILE CA C 45 60.413 60.555 -0.142 2
1 460 . 1 1 A 45 45 ILE CB C 45 40.804 38.762 2.042 2
1 464 . 1 1 A 45 45 ILE N N 45 127.329 127.362 -0.033 2
1 465 . 1 1 A 46 46 ARG H H 46 9.217 9.204 0.013 2
1 466 . 1 1 A 46 46 ARG HA H 46 5.083 4.864 0.219 2
1 474 . 1 1 A 46 46 ARG CA C 46 53.760 55.258 -1.498 2
1 475 . 1 1 A 46 46 ARG CB C 46 33.559 31.939 1.620 2
1 478 . 1 1 A 46 46 ARG N N 46 126.837 128.519 -1.682 2
1 480 . 1 1 A 47 47 LYS H H 47 9.876 8.900 0.976 2
1 481 . 1 1 A 47 47 LYS HA H 47 5.257 4.880 0.378 2
1 490 . 1 1 A 47 47 LYS CA C 47 55.260 55.283 -0.023 2
1 491 . 1 1 A 47 47 LYS CB C 47 34.860 34.172 0.688 2
1 495 . 1 1 A 47 47 LYS N N 47 132.271 126.788 5.483 2
1 496 . 1 1 A 48 48 ILE H H 48 7.909 8.648 -0.739 2
1 497 . 1 1 A 48 48 ILE HA H 48 4.360 4.391 -0.031 2
1 507 . 1 1 A 48 48 ILE CA C 48 61.132 61.074 0.058 2
1 508 . 1 1 A 48 48 ILE CB C 48 40.316 40.114 0.203 2
1 512 . 1 1 A 48 48 ILE N N 48 125.793 124.301 1.492 2
1 513 . 1 1 A 49 49 GLY H H 49 9.576 8.293 1.283 2
1 514 . 1 1 A 49 49 GLY HA2 H 49 4.021 3.979 0.042 2
1 515 . 1 1 A 49 49 GLY HA3 H 49 3.730 3.982 -0.252 2
1 516 . 1 1 A 49 49 GLY CA C 49 46.910 46.223 0.687 2
1 517 . 1 1 A 49 49 GLY N N 49 120.665 113.445 7.220 2
1 518 . 1 1 A 50 50 ASP H H 50 8.935 8.643 0.292 2
1 519 . 1 1 A 50 50 ASP HA H 50 4.777 4.596 0.181 2
1 522 . 1 1 A 50 50 ASP CA C 50 54.000 55.228 -1.228 2
1 523 . 1 1 A 50 50 ASP CB C 50 40.520 40.935 -0.415 2
1 524 . 1 1 A 50 50 ASP N N 50 126.343 122.740 3.604 2
1 525 . 1 1 A 51 51 THR H H 51 8.253 7.767 0.486 2
1 526 . 1 1 A 51 51 THR HA H 51 4.638 4.608 0.030 2
1 531 . 1 1 A 51 51 THR CA C 51 61.690 60.917 0.773 2
1 532 . 1 1 A 51 51 THR CB C 51 71.080 70.361 0.719 2
1 534 . 1 1 A 51 51 THR N N 51 115.167 114.733 0.434 2
1 535 . 1 1 A 52 52 SER H H 52 8.710 8.718 -0.008 2
1 536 . 1 1 A 52 52 SER HA H 52 5.318 5.437 -0.119 2
1 539 . 1 1 A 52 52 SER CA C 52 57.290 56.933 0.357 2
1 540 . 1 1 A 52 52 SER CB C 52 64.730 65.907 -1.177 2
1 541 . 1 1 A 52 52 SER N N 52 121.442 118.606 2.836 2
1 542 . 1 1 A 53 53 VAL H H 53 8.448 8.637 -0.189 2
1 543 . 1 1 A 53 53 VAL HA H 53 4.650 4.854 -0.204 2
1 551 . 1 1 A 53 53 VAL CA C 53 60.449 60.358 0.091 2
1 552 . 1 1 A 53 53 VAL CB C 53 35.105 35.019 0.086 2
1 555 . 1 1 A 53 53 VAL N N 53 121.387 122.336 -0.949 2
1 556 . 1 1 A 54 54 SER H H 54 8.761 9.070 -0.309 2
1 557 . 1 1 A 54 54 SER HA H 54 5.760 5.859 -0.099 2
1 560 . 1 1 A 54 54 SER CA C 54 57.180 56.348 0.832 2
1 561 . 1 1 A 54 54 SER CB C 54 65.910 66.084 -0.174 2
1 562 . 1 1 A 54 54 SER N N 54 118.025 122.673 -4.648 2
1 563 . 1 1 A 55 55 TYR H H 55 9.340 8.843 0.497 2
1 564 . 1 1 A 55 55 TYR HA H 55 4.175 4.974 -0.799 2
1 571 . 1 1 A 55 55 TYR CA C 55 57.100 57.206 -0.106 2
1 572 . 1 1 A 55 55 TYR CB C 55 39.870 40.898 -1.028 2
1 577 . 1 1 A 55 55 TYR N N 55 128.024 123.438 4.586 2
1 578 . 1 1 A 56 56 LYS H H 56 7.551 8.292 -0.741 2
1 579 . 1 1 A 56 56 LYS HA H 56 4.890 4.609 0.281 2
1 588 . 1 1 A 56 56 LYS CA C 56 54.117 55.154 -1.037 2
1 589 . 1 1 A 56 56 LYS CB C 56 33.610 33.604 0.006 2
1 593 . 1 1 A 56 56 LYS N N 56 127.706 129.130 -1.424 2
1 594 . 1 1 A 57 57 TYR H H 57 8.247 8.940 -0.693 2
1 595 . 1 1 A 57 57 TYR HA H 57 3.996 4.577 -0.581 2
1 602 . 1 1 A 57 57 TYR CA C 57 59.032 58.229 0.803 2
1 603 . 1 1 A 57 57 TYR CB C 57 39.390 39.300 0.090 2
1 608 . 1 1 A 57 57 TYR N N 57 124.225 126.512 -2.287 2
1 609 . 1 1 A 58 58 THR H H 58 8.722 8.688 0.034 2
1 610 . 1 1 A 58 58 THR HA H 58 4.259 4.777 -0.518 2
1 615 . 1 1 A 58 58 THR CA C 58 62.250 60.621 1.629 2
1 616 . 1 1 A 58 58 THR CB C 58 69.280 70.471 -1.190 2
1 618 . 1 1 A 58 58 THR N N 58 116.096 117.049 -0.953 2
1 619 . 1 1 A 59 59 SER H H 59 8.402 8.727 -0.325 2
1 620 . 1 1 A 59 59 SER HA H 59 4.050 4.440 -0.390 2
1 623 . 1 1 A 59 59 SER CA C 59 61.680 57.741 3.939 2
1 624 . 1 1 A 59 59 SER CB C 59 63.210 62.460 0.750 2
1 625 . 1 1 A 59 59 SER N N 59 114.556 122.701 -8.145 2
1 626 . 1 1 A 60 60 ARG H H 60 8.176 8.271 -0.095 2
1 627 . 1 1 A 60 60 ARG HA H 60 4.489 4.439 0.050 2
1 634 . 1 1 A 60 60 ARG CA C 60 54.960 56.807 -1.847 2
1 635 . 1 1 A 60 60 ARG CB C 60 29.846 30.785 -0.938 2
1 638 . 1 1 A 60 60 ARG N N 60 118.244 122.053 -3.809 2
1 639 . 1 1 A 61 61 TYR H H 61 7.617 7.412 0.205 2
1 640 . 1 1 A 61 61 TYR HA H 61 3.897 5.057 -1.160 2
1 647 . 1 1 A 61 61 TYR CA C 61 61.930 56.323 5.607 2
1 648 . 1 1 A 61 61 TYR CB C 61 38.670 40.503 -1.833 2
1 653 . 1 1 A 61 61 TYR N N 61 122.301 116.138 6.163 2
1 654 . 1 1 A 62 62 VAL H H 62 7.363 8.845 -1.482 2
1 655 . 1 1 A 62 62 VAL HA H 62 3.893 4.522 -0.629 2
1 663 . 1 1 A 62 62 VAL CA C 62 60.590 61.090 -0.500 2
1 664 . 1 1 A 62 62 VAL CB C 62 35.270 33.329 1.941 2
1 667 . 1 1 A 62 62 VAL N N 62 129.952 119.693 10.259 2
1 668 . 1 1 A 63 63 LEU H H 63 7.852 8.873 -1.021 2
1 669 . 1 1 A 63 63 LEU HA H 63 4.558 4.807 -0.249 2
1 679 . 1 1 A 63 63 LEU CA C 63 51.980 54.366 -2.386 2
1 680 . 1 1 A 63 63 LEU CB C 63 42.600 42.839 -0.239 2
1 684 . 1 1 A 63 63 LEU N N 63 128.635 128.921 -0.286 2
1 685 . 1 1 A 64 64 LYS H H 64 8.770 8.482 0.288 2
1 686 . 1 1 A 64 64 LYS HA H 64 3.722 4.362 -0.640 2
1 695 . 1 1 A 64 64 LYS CA C 64 57.360 56.388 0.972 2
1 696 . 1 1 A 64 64 LYS CB C 64 32.381 33.133 -0.752 2
1 700 . 1 1 A 64 64 LYS N N 64 130.633 126.564 4.069 2
1 701 . 1 1 A 65 65 ALA H H 65 8.628 8.441 0.187 2
1 702 . 1 1 A 65 65 ALA HA H 65 3.557 4.019 -0.462 2
1 706 . 1 1 A 65 65 ALA CA C 65 53.700 53.812 -0.112 2
1 707 . 1 1 A 65 65 ALA CB C 65 18.660 18.391 0.269 2
1 708 . 1 1 A 65 65 ALA N N 65 123.214 125.389 -2.176 2
1 709 . 1 1 A 66 66 GLY H H 66 7.505 8.800 -1.295 2
1 710 . 1 1 A 66 66 GLY HA2 H 66 4.020 3.881 0.139 2
1 711 . 1 1 A 66 66 GLY HA3 H 66 4.020 3.884 0.136 2
1 712 . 1 1 A 66 66 GLY CA C 66 46.864 45.599 1.265 2
1 713 . 1 1 A 66 66 GLY N N 66 112.913 110.856 2.057 2
1 714 . 1 1 A 67 67 GLN H H 67 8.136 7.681 0.455 2
1 715 . 1 1 A 67 67 GLN HA H 67 4.436 4.496 -0.060 2
1 722 . 1 1 A 67 67 GLN CA C 67 55.029 55.287 -0.258 2
1 723 . 1 1 A 67 67 GLN CB C 67 29.700 30.130 -0.430 2
1 725 . 1 1 A 67 67 GLN N N 67 118.759 121.001 -2.242 2
1 727 . 1 1 A 68 68 THR H H 68 8.066 8.572 -0.506 2
1 728 . 1 1 A 68 68 THR HA H 68 5.414 5.193 0.221 2
1 733 . 1 1 A 68 68 THR CA C 68 60.050 60.415 -0.365 2
1 734 . 1 1 A 68 68 THR CB C 68 72.052 70.519 1.533 2
1 736 . 1 1 A 68 68 THR N N 68 111.842 115.858 -4.016 2
1 737 . 1 1 A 69 69 VAL H H 69 8.780 8.999 -0.219 2
1 738 . 1 1 A 69 69 VAL HA H 69 4.989 4.768 0.221 2
1 746 . 1 1 A 69 69 VAL CA C 69 59.265 60.637 -1.372 2
1 747 . 1 1 A 69 69 VAL CB C 69 33.600 34.059 -0.459 2
1 750 . 1 1 A 69 69 VAL N N 69 120.958 123.771 -2.813 2
1 751 . 1 1 A 70 70 THR H H 70 8.660 8.952 -0.292 2
1 752 . 1 1 A 70 70 THR HA H 70 4.618 4.924 -0.306 2
1 757 . 1 1 A 70 70 THR CA C 70 61.730 61.944 -0.214 2
1 758 . 1 1 A 70 70 THR CB C 70 69.550 69.612 -0.062 2
1 760 . 1 1 A 70 70 THR N N 70 125.533 123.912 1.621 2
1 761 . 1 1 A 71 71 ILE H H 71 8.994 9.323 -0.329 2
1 762 . 1 1 A 71 71 ILE HA H 71 4.369 5.043 -0.674 2
1 772 . 1 1 A 71 71 ILE CA C 71 59.162 60.561 -1.399 2
1 773 . 1 1 A 71 71 ILE CB C 71 36.826 37.859 -1.033 2
1 777 . 1 1 A 71 71 ILE N N 71 127.838 127.818 0.020 2
1 778 . 1 1 A 72 72 TRP H H 72 9.270 9.179 0.091 2
1 779 . 1 1 A 72 72 TRP HA H 72 5.167 5.144 0.023 2
1 788 . 1 1 A 72 72 TRP CA C 72 56.180 57.255 -1.075 2
1 789 . 1 1 A 72 72 TRP CB C 72 31.490 30.779 0.711 2
1 795 . 1 1 A 72 72 TRP N N 72 127.112 129.369 -2.257 2
1 797 . 1 1 A 73 73 ALA H H 73 9.010 8.924 0.086 2
1 798 . 1 1 A 73 73 ALA HA H 73 4.617 4.709 -0.092 2
1 802 . 1 1 A 73 73 ALA CA C 73 52.110 51.566 0.544 2
1 803 . 1 1 A 73 73 ALA CB C 73 19.070 19.806 -0.736 2
1 804 . 1 1 A 73 73 ALA N N 73 122.140 125.899 -3.759 2
1 805 . 1 1 A 74 74 ALA H H 74 9.002 8.681 0.321 2
1 806 . 1 1 A 74 74 ALA HA H 74 4.042 4.035 0.007 2
1 810 . 1 1 A 74 74 ALA CA C 74 54.650 55.152 -0.502 2
1 811 . 1 1 A 74 74 ALA CB C 74 18.070 18.297 -0.227 2
1 812 . 1 1 A 74 74 ALA N N 74 123.213 122.336 0.877 2
1 813 . 1 1 A 75 75 ASN H H 75 8.162 8.130 0.032 2
1 814 . 1 1 A 75 75 ASN HA H 75 5.015 4.968 0.047 2
1 819 . 1 1 A 75 75 ASN CA C 75 51.650 52.958 -1.308 2
1 820 . 1 1 A 75 75 ASN CB C 75 36.590 38.552 -1.962 2
1 821 . 1 1 A 75 75 ASN N N 75 112.259 115.259 -3.000 2
1 823 . 1 1 A 76 76 ALA H H 76 7.605 7.814 -0.209 2
1 824 . 1 1 A 76 76 ALA HA H 76 4.281 4.348 -0.067 2
1 828 . 1 1 A 76 76 ALA CA C 76 53.203 52.901 0.302 2
1 829 . 1 1 A 76 76 ALA CB C 76 20.210 19.683 0.527 2
1 830 . 1 1 A 76 76 ALA N N 76 120.777 123.315 -2.538 2
1 831 . 1 1 A 77 77 GLY H H 77 8.449 8.163 0.286 2
1 832 . 1 1 A 77 77 GLY HA2 H 77 3.960 3.889 0.071 2
1 833 . 1 1 A 77 77 GLY HA3 H 77 3.537 3.908 -0.371 2
1 834 . 1 1 A 77 77 GLY CA C 77 45.410 45.407 0.002 2
1 835 . 1 1 A 77 77 GLY N N 77 107.064 107.417 -0.353 2
1 836 . 1 1 A 78 78 VAL H H 78 7.286 7.506 -0.220 2
1 837 . 1 1 A 78 78 VAL HA H 78 3.804 4.138 -0.334 2
1 845 . 1 1 A 78 78 VAL CA C 78 60.736 61.176 -0.440 2
1 846 . 1 1 A 78 78 VAL CB C 78 33.590 32.956 0.634 2
1 849 . 1 1 A 78 78 VAL N N 78 120.566 118.555 2.011 2
1 850 . 1 1 A 79 79 THR H H 79 8.148 8.304 -0.156 2
1 851 . 1 1 A 79 79 THR HA H 79 4.145 4.244 -0.099 2
1 856 . 1 1 A 79 79 THR CA C 79 61.395 62.918 -1.523 2
1 857 . 1 1 A 79 79 THR CB C 79 69.620 69.324 0.296 2
1 859 . 1 1 A 79 79 THR N N 79 121.617 116.736 4.881 2
1 860 . 1 1 A 80 80 ALA H H 80 8.593 8.557 0.036 2
1 861 . 1 1 A 80 80 ALA HA H 80 3.703 4.246 -0.543 2
1 865 . 1 1 A 80 80 ALA CA C 80 53.410 52.999 0.411 2
1 866 . 1 1 A 80 80 ALA CB C 80 19.180 18.549 0.631 2
1 867 . 1 1 A 80 80 ALA N N 80 126.311 127.680 -1.368 2
1 868 . 1 1 A 81 81 SER H H 81 9.101 8.013 1.088 2
1 869 . 1 1 A 81 81 SER HA H 81 4.747 4.636 0.111 2
1 872 . 1 1 A 81 81 SER CA C 81 55.046 56.584 -1.538 2
1 873 . 1 1 A 81 81 SER CB C 81 62.680 63.659 -0.979 2
1 874 . 1 1 A 81 81 SER N N 81 114.816 114.181 0.635 2
1 875 . 1 1 A 82 82 PRO HA H 82 4.328 4.420 -0.092 2
1 882 . 1 1 A 82 82 PRO CA C 82 62.158 63.487 -1.329 2
1 883 . 1 1 A 82 82 PRO CB C 82 30.480 32.162 -1.682 2
1 886 . 1 1 A 83 83 PRO HA H 83 4.821 4.351 0.470 2
1 893 . 1 1 A 83 83 PRO CA C 83 64.384 63.362 1.022 2
1 894 . 1 1 A 83 83 PRO CB C 83 34.750 31.661 3.089 2
1 897 . 1 1 A 84 84 THR H H 84 8.007 8.096 -0.089 2
1 898 . 1 1 A 84 84 THR HA H 84 4.567 4.183 0.384 2
1 903 . 1 1 A 84 84 THR CA C 84 64.770 63.386 1.384 2
1 904 . 1 1 A 84 84 THR CB C 84 69.370 70.027 -0.657 2
1 906 . 1 1 A 84 84 THR N N 84 114.629 113.357 1.272 2
1 907 . 1 1 A 85 85 ASP H H 85 7.952 8.004 -0.052 2
1 908 . 1 1 A 85 85 ASP HA H 85 5.950 5.037 0.913 2
1 911 . 1 1 A 85 85 ASP CA C 85 54.110 53.555 0.555 2
1 912 . 1 1 A 85 85 ASP CB C 85 43.510 43.234 0.276 2
1 913 . 1 1 A 85 85 ASP N N 85 124.539 120.606 3.933 2
1 914 . 1 1 A 86 86 LEU H H 86 9.271 8.913 0.358 2
1 915 . 1 1 A 86 86 LEU HA H 86 4.953 5.036 -0.083 2
1 925 . 1 1 A 86 86 LEU CA C 86 52.230 53.844 -1.614 2
1 926 . 1 1 A 86 86 LEU CB C 86 44.070 44.395 -0.325 2
1 930 . 1 1 A 86 86 LEU N N 86 124.265 121.510 2.755 2
1 931 . 1 1 A 87 87 ILE H H 87 8.691 8.925 -0.234 2
1 932 . 1 1 A 87 87 ILE HA H 87 4.802 4.804 -0.002 2
1 942 . 1 1 A 87 87 ILE CA C 87 58.694 60.721 -2.027 2
1 943 . 1 1 A 87 87 ILE CB C 87 37.945 38.432 -0.487 2
1 947 . 1 1 A 87 87 ILE N N 87 119.475 124.523 -5.048 2
1 948 . 1 1 A 88 88 TRP H H 88 9.755 9.248 0.507 2
1 949 . 1 1 A 88 88 TRP HA H 88 4.918 4.330 0.588 2
1 958 . 1 1 A 88 88 TRP CA C 88 54.900 55.765 -0.865 2
1 959 . 1 1 A 88 88 TRP CB C 88 27.270 28.825 -1.555 2
1 965 . 1 1 A 88 88 TRP N N 88 132.610 129.948 2.662 2
1 967 . 1 1 A 89 89 LYS H H 89 8.282 8.535 -0.253 2
1 968 . 1 1 A 89 89 LYS HA H 89 3.996 4.323 -0.327 2
1 977 . 1 1 A 89 89 LYS CA C 89 58.847 57.636 1.211 2
1 978 . 1 1 A 89 89 LYS CB C 89 32.360 32.327 0.033 2
1 982 . 1 1 A 89 89 LYS N N 89 125.513 126.942 -1.429 2
1 983 . 1 1 A 90 90 ASN H H 90 8.810 8.013 0.797 2
1 984 . 1 1 A 90 90 ASN HA H 90 4.434 4.759 -0.325 2
1 989 . 1 1 A 90 90 ASN CA C 90 54.010 54.337 -0.327 2
1 990 . 1 1 A 90 90 ASN CB C 90 37.770 39.599 -1.829 2
1 991 . 1 1 A 90 90 ASN N N 90 114.946 115.842 -0.896 2
1 993 . 1 1 A 91 91 GLN H H 91 7.546 7.016 0.530 2
1 994 . 1 1 A 91 91 GLN HA H 91 4.412 4.612 -0.200 2
1 1001 . 1 1 A 91 91 GLN CA C 91 53.520 54.696 -1.176 2
1 1002 . 1 1 A 91 91 GLN CB C 91 28.470 31.504 -3.034 2
1 1004 . 1 1 A 91 91 GLN N N 91 117.746 117.878 -0.132 2
1 1006 . 1 1 A 92 92 ASN H H 92 8.451 8.612 -0.161 2
1 1007 . 1 1 A 92 92 ASN HA H 92 4.876 4.905 -0.029 2
1 1012 . 1 1 A 92 92 ASN CA C 92 52.080 52.882 -0.802 2
1 1013 . 1 1 A 92 92 ASN CB C 92 39.400 39.700 -0.300 2
1 1014 . 1 1 A 92 92 ASN N N 92 123.697 123.660 0.037 2
1 1016 . 1 1 A 93 93 SER H H 93 9.337 8.418 0.919 2
1 1017 . 1 1 A 93 93 SER HA H 93 3.977 4.433 -0.456 2
1 1020 . 1 1 A 93 93 SER CA C 93 58.940 58.367 0.573 2
1 1021 . 1 1 A 93 93 SER CB C 93 62.940 63.567 -0.627 2
1 1022 . 1 1 A 93 93 SER N N 93 117.010 114.550 2.460 2
1 1023 . 1 1 A 94 94 TRP H H 94 7.857 8.203 -0.346 2
1 1024 . 1 1 A 94 94 TRP HA H 94 4.905 5.073 -0.168 2
1 1033 . 1 1 A 94 94 TRP CA C 94 56.770 56.626 0.145 2
1 1034 . 1 1 A 94 94 TRP CB C 94 27.900 31.174 -3.273 2
1 1039 . 1 1 A 94 94 TRP N N 94 120.449 122.733 -2.284 2
1 1041 . 1 1 A 95 95 GLY H H 95 7.795 8.271 -0.476 2
1 1042 . 1 1 A 95 95 GLY HA2 H 95 3.953 3.990 -0.037 2
1 1043 . 1 1 A 95 95 GLY HA3 H 95 3.763 4.073 -0.310 2
1 1044 . 1 1 A 95 95 GLY CA C 95 45.487 45.776 -0.290 2
1 1045 . 1 1 A 95 95 GLY N N 95 109.481 108.633 0.848 2
1 1046 . 1 1 A 96 96 THR H H 96 8.028 8.303 -0.275 2
1 1047 . 1 1 A 96 96 THR HA H 96 4.696 4.515 0.181 2
1 1052 . 1 1 A 96 96 THR CA C 96 60.880 62.554 -1.674 2
1 1053 . 1 1 A 96 96 THR CB C 96 70.040 70.208 -0.168 2
1 1055 . 1 1 A 96 96 THR N N 96 112.538 115.316 -2.778 2
1 1056 . 1 1 A 97 97 GLY H H 97 8.443 8.250 0.193 2
1 1057 . 1 1 A 97 97 GLY HA2 H 97 3.482 3.963 -0.481 2
1 1058 . 1 1 A 97 97 GLY HA3 H 97 3.862 3.995 -0.133 2
1 1059 . 1 1 A 97 97 GLY CA C 97 45.945 45.821 0.124 2
1 1060 . 1 1 A 97 97 GLY N N 97 111.464 110.720 0.744 2
1 1061 . 1 1 A 98 98 GLU H H 98 8.010 7.916 0.094 2
1 1062 . 1 1 A 98 98 GLU HA H 98 4.471 4.498 -0.027 2
1 1067 . 1 1 A 98 98 GLU CA C 98 54.730 56.220 -1.490 2
1 1068 . 1 1 A 98 98 GLU CB C 98 30.719 30.565 0.154 2
1 1070 . 1 1 A 98 98 GLU N N 98 118.563 120.533 -1.970 2
1 1071 . 1 1 A 99 99 ASP H H 99 8.680 8.566 0.114 2
1 1072 . 1 1 A 99 99 ASP HA H 99 4.612 4.882 -0.270 2
1 1075 . 1 1 A 99 99 ASP CA C 99 54.451 54.409 0.042 2
1 1076 . 1 1 A 99 99 ASP CB C 99 39.540 40.687 -1.147 2
1 1077 . 1 1 A 99 99 ASP N N 99 122.219 121.822 0.397 2
1 1078 . 1 1 A 100 100 VAL H H 100 8.215 8.319 -0.104 2
1 1079 . 1 1 A 100 100 VAL HA H 100 4.495 4.508 -0.013 2
1 1087 . 1 1 A 100 100 VAL CA C 100 60.920 61.262 -0.342 2
1 1088 . 1 1 A 100 100 VAL CB C 100 34.150 33.145 1.004 2
1 1091 . 1 1 A 100 100 VAL N N 100 123.901 123.075 0.826 2
1 1092 . 1 1 A 101 101 LYS H H 101 8.600 8.748 -0.147 2
1 1093 . 1 1 A 101 101 LYS HA H 101 5.112 4.953 0.159 2
1 1102 . 1 1 A 101 101 LYS CA C 101 54.718 55.029 -0.311 2
1 1103 . 1 1 A 101 101 LYS CB C 101 35.326 34.691 0.635 2
1 1107 . 1 1 A 101 101 LYS N N 101 126.635 129.576 -2.941 2
1 1108 . 1 1 A 102 102 VAL H H 102 9.209 9.004 0.205 2
1 1109 . 1 1 A 102 102 VAL HA H 102 5.405 4.755 0.650 2
1 1117 . 1 1 A 102 102 VAL CA C 102 59.950 61.175 -1.225 2
1 1118 . 1 1 A 102 102 VAL CB C 102 34.420 33.587 0.833 2
1 1121 . 1 1 A 102 102 VAL N N 102 125.573 126.555 -0.982 2
1 1122 . 1 1 A 103 103 ILE H H 103 8.968 9.393 -0.425 2
1 1123 . 1 1 A 103 103 ILE HA H 103 4.671 4.870 -0.199 2
1 1133 . 1 1 A 103 103 ILE CA C 103 59.790 59.769 0.021 2
1 1134 . 1 1 A 103 103 ILE CB C 103 42.522 40.284 2.238 2
1 1138 . 1 1 A 103 103 ILE N N 103 125.593 128.351 -2.758 2
1 1139 . 1 1 A 104 104 LEU H H 104 9.017 9.138 -0.121 2
1 1140 . 1 1 A 104 104 LEU HA H 104 5.361 5.103 0.258 2
1 1150 . 1 1 A 104 104 LEU CA C 104 52.800 53.825 -1.025 2
1 1151 . 1 1 A 104 104 LEU CB C 104 46.200 42.916 3.284 2
1 1155 . 1 1 A 104 104 LEU N N 104 127.791 127.639 0.152 2
1 1156 . 1 1 A 105 105 LYS H H 105 9.674 8.838 0.836 2
1 1157 . 1 1 A 105 105 LYS HA H 105 5.194 4.966 0.228 2
1 1166 . 1 1 A 105 105 LYS CA C 105 53.780 54.153 -0.373 2
1 1167 . 1 1 A 105 105 LYS CB C 105 36.330 35.496 0.834 2
1 1171 . 1 1 A 105 105 LYS N N 105 126.536 123.943 2.593 2
1 1172 . 1 1 A 106 106 ASN H H 106 7.774 8.817 -1.043 2
1 1173 . 1 1 A 106 106 ASN HA H 106 2.714 4.556 -1.842 2
1 1178 . 1 1 A 106 106 ASN CA C 106 49.530 52.177 -2.647 2
1 1179 . 1 1 A 106 106 ASN CB C 106 36.940 39.517 -2.577 2
1 1180 . 1 1 A 106 106 ASN N N 106 116.550 120.412 -3.862 2
1 1182 . 1 1 A 107 107 SER H H 107 6.988 8.700 -1.712 2
1 1183 . 1 1 A 107 107 SER HA H 107 4.092 4.183 -0.091 2
1 1186 . 1 1 A 107 107 SER CA C 107 60.490 61.045 -0.555 2
1 1187 . 1 1 A 107 107 SER CB C 107 62.510 62.828 -0.318 2
1 1188 . 1 1 A 107 107 SER N N 107 112.400 116.983 -4.583 2
1 1189 . 1 1 A 108 108 GLN H H 108 7.414 7.804 -0.390 2
1 1190 . 1 1 A 108 108 GLN HA H 108 4.404 4.340 0.064 2
1 1197 . 1 1 A 108 108 GLN CA C 108 55.470 55.855 -0.385 2
1 1198 . 1 1 A 108 108 GLN CB C 108 28.400 29.231 -0.831 2
1 1200 . 1 1 A 108 108 GLN N N 108 119.000 118.046 0.954 2
1 1202 . 1 1 A 109 109 GLY H H 109 7.835 8.028 -0.193 2
1 1203 . 1 1 A 109 109 GLY HA2 H 109 4.136 3.933 0.202 2
1 1204 . 1 1 A 109 109 GLY HA3 H 109 3.530 3.939 -0.409 2
1 1205 . 1 1 A 109 109 GLY CA C 109 45.549 45.326 0.223 2
1 1206 . 1 1 A 109 109 GLY N N 109 107.333 107.555 -0.222 2
1 1207 . 1 1 A 110 110 GLU H H 110 7.562 7.928 -0.366 2
1 1208 . 1 1 A 110 110 GLU HA H 110 4.209 4.399 -0.190 2
1 1213 . 1 1 A 110 110 GLU CA C 110 54.320 56.078 -1.758 2
1 1214 . 1 1 A 110 110 GLU CB C 110 29.760 30.587 -0.827 2
1 1216 . 1 1 A 110 110 GLU N N 110 120.137 120.174 -0.037 2
1 1217 . 1 1 A 111 111 GLU H H 111 8.799 8.499 0.300 2
1 1218 . 1 1 A 111 111 GLU HA H 111 4.194 4.715 -0.521 2
1 1223 . 1 1 A 111 111 GLU CA C 111 57.160 55.661 1.499 2
1 1224 . 1 1 A 111 111 GLU CB C 111 29.175 31.698 -2.523 2
1 1226 . 1 1 A 111 111 GLU N N 111 123.867 123.738 0.129 2
1 1227 . 1 1 A 112 112 VAL H H 112 9.093 8.799 0.294 2
1 1228 . 1 1 A 112 112 VAL HA H 112 4.330 4.163 0.167 2
1 1236 . 1 1 A 112 112 VAL CA C 112 61.529 63.173 -1.644 2
1 1237 . 1 1 A 112 112 VAL CB C 112 33.230 32.746 0.484 2
1 1240 . 1 1 A 112 112 VAL N N 112 122.642 124.463 -1.821 2
1 1241 . 1 1 A 113 113 ALA H H 113 7.793 7.298 0.495 2
1 1242 . 1 1 A 113 113 ALA HA H 113 4.770 4.710 0.060 2
1 1246 . 1 1 A 113 113 ALA CA C 113 52.449 51.353 1.096 2
1 1247 . 1 1 A 113 113 ALA CB C 113 22.400 22.598 -0.198 2
1 1248 . 1 1 A 113 113 ALA N N 113 121.070 120.143 0.927 2
1 1249 . 1 1 A 114 114 GLN H H 114 8.450 8.863 -0.413 2
1 1250 . 1 1 A 114 114 GLN HA H 114 5.404 5.321 0.083 2
1 1257 . 1 1 A 114 114 GLN CA C 114 54.830 54.341 0.489 2
1 1258 . 1 1 A 114 114 GLN CB C 114 32.307 32.357 -0.050 2
1 1260 . 1 1 A 114 114 GLN N N 114 115.851 116.596 -0.745 2
1 1262 . 1 1 A 115 115 ARG H H 115 8.989 8.587 0.402 2
1 1263 . 1 1 A 115 115 ARG HA H 115 4.555 4.831 -0.276 2
1 1270 . 1 1 A 115 115 ARG CA C 115 56.350 55.407 0.943 2
1 1271 . 1 1 A 115 115 ARG CB C 115 33.730 34.201 -0.471 2
1 1274 . 1 1 A 115 115 ARG N N 115 122.920 121.821 1.099 2
1 1275 . 1 1 A 116 116 SER H H 116 8.511 8.728 -0.217 2
1 1276 . 1 1 A 116 116 SER HA H 116 5.756 5.231 0.526 2
1 1279 . 1 1 A 116 116 SER CA C 116 56.400 56.537 -0.137 2
1 1280 . 1 1 A 116 116 SER CB C 116 65.770 65.965 -0.195 2
1 1281 . 1 1 A 116 116 SER N N 116 119.807 117.418 2.389 2
1 1282 . 1 1 A 117 117 THR H H 117 8.801 8.352 0.449 2
1 1283 . 1 1 A 117 117 THR HA H 117 4.378 4.519 -0.141 2
1 1288 . 1 1 A 117 117 THR CA C 117 62.160 61.484 0.676 2
1 1289 . 1 1 A 117 117 THR CB C 117 70.010 70.066 -0.056 2
1 1291 . 1 1 A 117 117 THR N N 117 116.435 113.036 3.399 2
1 1292 . 1 1 A 118 118 VAL H H 118 8.165 8.452 -0.287 2
1 1293 . 1 1 A 118 118 VAL HA H 118 4.227 4.291 -0.064 2
1 1301 . 1 1 A 118 118 VAL CA C 118 61.320 61.727 -0.407 2
1 1302 . 1 1 A 118 118 VAL CB C 118 32.931 32.557 0.374 2
1 1305 . 1 1 A 118 118 VAL N N 118 122.111 123.273 -1.162 2
1 1306 . 1 1 A 119 119 PHE H H 119 8.580 8.467 0.113 2
1 1307 . 1 1 A 119 119 PHE HA H 119 4.655 4.696 -0.041 2
1 1314 . 1 1 A 119 119 PHE CA C 119 57.520 57.664 -0.144 2
1 1315 . 1 1 A 119 119 PHE CB C 119 39.550 38.874 0.676 2
1 1320 . 1 1 A 119 119 PHE N N 119 126.006 126.349 -0.343 2
1 1321 . 1 1 A 120 120 LYS H H 120 8.346 8.344 0.002 2
1 1322 . 1 1 A 120 120 LYS HA H 120 4.432 4.720 -0.288 2
1 1331 . 1 1 A 120 120 LYS CA C 120 55.740 55.631 0.109 2
1 1332 . 1 1 A 120 120 LYS CB C 120 33.290 34.344 -1.054 2
1 1336 . 1 1 A 120 120 LYS N N 120 124.095 123.445 0.650 2
1 1337 . 1 1 A 121 121 THR H H 121 8.294 8.630 -0.336 2
1 1338 . 1 1 A 121 121 THR HA H 121 4.394 4.605 -0.211 2
1 1343 . 1 1 A 121 121 THR CA C 121 61.610 61.925 -0.315 2
1 1344 . 1 1 A 121 121 THR CB C 121 69.640 69.141 0.499 2
1 1346 . 1 1 A 121 121 THR N N 121 116.359 117.287 -0.928 2
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