data_16109_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16109
_Entry.PDB_ID 2KDB
_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 13 . 1 1 1 A 24 24 VAL H H 2 8.008 8.175 -0.167 1
1 14 . 1 1 1 A 24 24 VAL HA H 2 4.297 4.153 0.144 1
1 22 . 1 1 1 A 24 24 VAL C C 2 175.571 175.797 -0.226 1
1 23 . 1 1 1 A 24 24 VAL CA C 2 60.030 61.854 -1.824 1
1 24 . 1 1 1 A 24 24 VAL CB C 2 34.710 32.469 2.241 1
1 27 . 1 1 1 A 24 24 VAL N N 2 118.399 120.348 -1.949 1
1 28 . 1 1 1 A 25 25 THR H H 3 8.520 8.424 0.096 1
1 29 . 1 1 1 A 25 25 THR HA H 3 4.738 4.513 0.225 1
1 34 . 1 1 1 A 25 25 THR C C 3 175.275 173.042 2.233 1
1 35 . 1 1 1 A 25 25 THR CA C 3 62.350 62.950 -0.600 1
1 36 . 1 1 1 A 25 25 THR CB C 3 69.930 68.220 1.710 1
1 38 . 1 1 1 A 25 25 THR N N 3 121.522 122.862 -1.340 1
1 39 . 1 1 1 A 26 26 LEU H H 4 8.929 9.060 -0.131 1
1 40 . 1 1 1 A 26 26 LEU HA H 4 5.102 5.064 0.038 1
1 50 . 1 1 1 A 26 26 LEU C C 4 176.809 175.010 1.799 1
1 51 . 1 1 1 A 26 26 LEU CA C 4 52.850 53.773 -0.923 1
1 52 . 1 1 1 A 26 26 LEU CB C 4 45.140 44.038 1.102 1
1 56 . 1 1 1 A 26 26 LEU N N 4 127.076 128.939 -1.863 1
1 57 . 1 1 1 A 27 27 ILE H H 5 8.990 9.009 -0.019 1
1 58 . 1 1 1 A 27 27 ILE HA H 5 4.682 4.821 -0.139 1
1 68 . 1 1 1 A 27 27 ILE C C 5 176.962 175.384 1.578 1
1 69 . 1 1 1 A 27 27 ILE CA C 5 59.810 61.163 -1.353 1
1 70 . 1 1 1 A 27 27 ILE CB C 5 38.590 36.711 1.879 1
1 74 . 1 1 1 A 27 27 ILE N N 5 122.974 128.076 -5.102 1
1 75 . 1 1 1 A 28 28 ILE H H 6 9.288 8.979 0.309 1
1 76 . 1 1 1 A 28 28 ILE HA H 6 5.025 4.679 0.346 1
1 86 . 1 1 1 A 28 28 ILE C C 6 178.889 175.263 3.626 1
1 87 . 1 1 1 A 28 28 ILE CA C 6 57.620 60.671 -3.051 1
1 88 . 1 1 1 A 28 28 ILE CB C 6 36.680 37.136 -0.456 1
1 92 . 1 1 1 A 28 28 ILE N N 6 125.520 128.968 -3.448 1
1 93 . 1 1 1 A 29 29 LYS H H 7 8.832 8.613 0.219 1
1 94 . 1 1 1 A 29 29 LYS HA H 7 4.597 4.620 -0.023 1
1 103 . 1 1 1 A 29 29 LYS C C 7 176.414 176.488 -0.074 1
1 104 . 1 1 1 A 29 29 LYS CA C 7 54.240 54.643 -0.403 1
1 105 . 1 1 1 A 29 29 LYS CB C 7 34.050 34.072 -0.022 1
1 109 . 1 1 1 A 29 29 LYS N N 7 130.704 127.319 3.385 1
1 110 . 1 1 1 A 30 30 ALA H H 8 9.021 8.726 0.295 1
1 111 . 1 1 1 A 30 30 ALA HA H 8 5.221 4.572 0.649 1
1 115 . 1 1 1 A 30 30 ALA CA C 8 49.220 50.910 -1.690 1
1 116 . 1 1 1 A 30 30 ALA CB C 8 20.620 18.074 2.546 1
1 117 . 1 1 1 A 30 30 ALA N N 8 126.869 125.236 1.633 1
1 118 . 1 1 1 A 31 31 PRO HA H 9 4.445 4.410 0.035 1
1 125 . 1 1 1 A 31 31 PRO CA C 9 63.990 65.781 -1.791 1
1 126 . 1 1 1 A 31 31 PRO CB C 9 31.860 31.596 0.264 1
1 129 . 1 1 1 A 32 32 ASN HA H 10 4.531 4.852 -0.321 1
1 134 . 1 1 1 A 32 32 ASN C C 10 176.666 174.518 2.148 1
1 135 . 1 1 1 A 32 32 ASN CA C 10 53.210 52.735 0.475 1
1 136 . 1 1 1 A 32 32 ASN CB C 10 38.150 38.533 -0.383 1
1 138 . 1 1 1 A 33 33 GLN H H 11 8.123 7.977 0.146 1
1 139 . 1 1 1 A 33 33 GLN N N 11 114.038 117.590 -3.552 1
1 140 . 1 1 1 A 34 34 LYS HA H 12 3.817 3.965 -0.148 1
1 149 . 1 1 1 A 34 34 LYS C C 12 178.002 175.798 2.204 1
1 150 . 1 1 1 A 34 34 LYS CA C 12 58.290 58.943 -0.653 1
1 151 . 1 1 1 A 34 34 LYS CB C 12 32.570 32.433 0.137 1
1 155 . 1 1 1 A 35 35 TYR H H 13 6.845 8.269 -1.424 1
1 156 . 1 1 1 A 35 35 TYR HA H 13 4.654 4.865 -0.211 1
1 163 . 1 1 1 A 35 35 TYR CA C 13 56.060 57.842 -1.782 1
1 164 . 1 1 1 A 35 35 TYR CB C 13 41.000 40.565 0.435 1
1 167 . 1 1 1 A 35 35 TYR N N 13 112.988 117.345 -4.357 1
1 168 . 1 1 1 A 36 36 SER HA H 14 4.376 4.477 -0.101 1
1 171 . 1 1 1 A 36 36 SER C C 14 177.170 173.167 4.003 1
1 172 . 1 1 1 A 36 36 SER CA C 14 58.160 58.509 -0.349 1
1 173 . 1 1 1 A 36 36 SER CB C 14 64.000 64.332 -0.332 1
1 174 . 1 1 1 A 37 37 ASP H H 15 8.910 8.601 0.309 1
1 175 . 1 1 1 A 37 37 ASP HA H 15 4.622 4.607 0.015 1
1 178 . 1 1 1 A 37 37 ASP C C 15 178.221 175.280 2.941 1
1 179 . 1 1 1 A 37 37 ASP CA C 15 55.680 54.583 1.097 1
1 180 . 1 1 1 A 37 37 ASP CB C 15 39.640 40.675 -1.035 1
1 181 . 1 1 1 A 37 37 ASP N N 15 125.921 122.704 3.217 1
1 182 . 1 1 1 A 38 38 GLN H H 16 8.224 8.882 -0.658 1
1 183 . 1 1 1 A 38 38 GLN HA H 16 4.653 4.671 -0.018 1
1 190 . 1 1 1 A 38 38 GLN C C 16 176.655 174.873 1.782 1
1 191 . 1 1 1 A 38 38 GLN CA C 16 53.230 55.226 -1.996 1
1 192 . 1 1 1 A 38 38 GLN CB C 16 31.390 29.364 2.026 1
1 194 . 1 1 1 A 38 38 GLN N N 16 121.123 125.607 -4.484 1
1 196 . 1 1 1 A 39 39 THR H H 17 8.733 8.538 0.195 1
1 197 . 1 1 1 A 39 39 THR HA H 17 4.936 4.720 0.216 1
1 202 . 1 1 1 A 39 39 THR C C 17 176.173 173.714 2.459 1
1 203 . 1 1 1 A 39 39 THR CA C 17 62.170 61.339 0.831 1
1 204 . 1 1 1 A 39 39 THR CB C 17 69.300 68.502 0.798 1
1 206 . 1 1 1 A 39 39 THR N N 17 120.324 118.126 2.198 1
1 207 . 1 1 1 A 40 40 ILE H H 18 9.424 8.813 0.611 1
1 208 . 1 1 1 A 40 40 ILE HA H 18 4.592 4.673 -0.081 1
1 218 . 1 1 1 A 40 40 ILE C C 18 176.184 175.113 1.071 1
1 219 . 1 1 1 A 40 40 ILE CA C 18 58.200 60.831 -2.631 1
1 220 . 1 1 1 A 40 40 ILE CB C 18 41.130 37.785 3.345 1
1 224 . 1 1 1 A 40 40 ILE N N 18 126.321 128.540 -2.219 1
1 225 . 1 1 1 A 41 41 SER H H 19 8.518 8.697 -0.179 1
1 226 . 1 1 1 A 41 41 SER HA H 19 4.939 4.863 0.076 1
1 229 . 1 1 1 A 41 41 SER C C 19 175.210 174.249 0.961 1
1 230 . 1 1 1 A 41 41 SER CA C 19 57.160 57.916 -0.756 1
1 231 . 1 1 1 A 41 41 SER CB C 19 63.660 63.496 0.164 1
1 232 . 1 1 1 A 41 41 SER N N 19 120.959 122.931 -1.972 1
1 233 . 1 1 1 A 42 42 CYS H H 20 8.444 8.540 -0.096 1
1 234 . 1 1 1 A 42 42 CYS HA H 20 3.546 5.196 -1.650 1
1 237 . 1 1 1 A 42 42 CYS CA C 20 55.410 56.565 -1.155 1
1 238 . 1 1 1 A 42 42 CYS CB C 20 28.570 31.337 -2.767 1
1 239 . 1 1 1 A 42 42 CYS N N 20 120.248 122.479 -2.231 1
1 240 . 1 1 1 A 43 43 PHE HA H 21 4.580 4.829 -0.249 1
1 248 . 1 1 1 A 43 43 PHE C C 21 177.980 176.259 1.721 1
1 249 . 1 1 1 A 43 43 PHE CA C 21 56.490 56.667 -0.177 1
1 250 . 1 1 1 A 43 43 PHE CB C 21 42.360 40.334 2.026 1
1 254 . 1 1 1 A 44 44 LEU H H 22 9.159 8.910 0.249 1
1 255 . 1 1 1 A 44 44 LEU HA H 22 3.779 4.160 -0.381 1
1 265 . 1 1 1 A 44 44 LEU C C 22 178.177 178.402 -0.225 1
1 266 . 1 1 1 A 44 44 LEU CA C 22 56.980 56.248 0.732 1
1 267 . 1 1 1 A 44 44 LEU CB C 22 42.090 41.210 0.880 1
1 271 . 1 1 1 A 44 44 LEU N N 22 120.130 124.937 -4.807 1
1 272 . 1 1 1 A 45 45 ASN H H 23 8.058 8.011 0.047 1
1 273 . 1 1 1 A 45 45 ASN HA H 23 4.650 4.216 0.434 1
1 276 . 1 1 1 A 45 45 ASN C C 23 178.364 175.656 2.708 1
1 277 . 1 1 1 A 45 45 ASN CA C 23 52.880 56.167 -3.287 1
1 278 . 1 1 1 A 45 45 ASN CB C 23 37.320 38.754 -1.434 1
1 279 . 1 1 1 A 45 45 ASN N N 23 112.017 117.855 -5.838 1
1 280 . 1 1 1 A 46 46 TRP H H 24 7.857 7.477 0.380 1
1 281 . 1 1 1 A 46 46 TRP HA H 24 4.712 4.707 0.005 1
1 290 . 1 1 1 A 46 46 TRP C C 24 178.802 176.368 2.434 1
1 291 . 1 1 1 A 46 46 TRP CA C 24 57.240 57.875 -0.635 1
1 292 . 1 1 1 A 46 46 TRP CB C 24 29.250 29.932 -0.682 1
1 298 . 1 1 1 A 46 46 TRP N N 24 121.301 118.059 3.242 1
1 300 . 1 1 1 A 47 47 THR H H 25 7.473 9.006 -1.533 1
1 301 . 1 1 1 A 47 47 THR HA H 25 5.097 4.652 0.445 1
1 306 . 1 1 1 A 47 47 THR C C 25 178.375 176.284 2.091 1
1 307 . 1 1 1 A 47 47 THR CA C 25 59.940 60.638 -0.698 1
1 308 . 1 1 1 A 47 47 THR CB C 25 71.080 71.388 -0.308 1
1 310 . 1 1 1 A 47 47 THR N N 25 109.055 114.078 -5.023 1
1 311 . 1 1 1 A 48 48 VAL H H 26 8.349 8.449 -0.100 1
1 312 . 1 1 1 A 48 48 VAL HA H 26 3.433 3.463 -0.030 1
1 320 . 1 1 1 A 48 48 VAL C C 26 180.548 178.308 2.240 1
1 321 . 1 1 1 A 48 48 VAL CA C 26 66.460 66.623 -0.163 1
1 322 . 1 1 1 A 48 48 VAL CB C 26 31.540 31.504 0.036 1
1 325 . 1 1 1 A 48 48 VAL N N 26 123.048 122.076 0.972 1
1 326 . 1 1 1 A 49 49 GLY H H 27 9.099 8.351 0.748 1
1 327 . 1 1 1 A 49 49 GLY HA2 H 27 3.895 3.792 0.103 1
1 328 . 1 1 1 A 49 49 GLY HA3 H 27 3.512 3.800 -0.288 1
1 329 . 1 1 1 A 49 49 GLY C C 27 177.909 175.702 2.207 1
1 330 . 1 1 1 A 49 49 GLY CA C 27 47.100 47.157 -0.057 1
1 331 . 1 1 1 A 49 49 GLY N N 27 107.086 107.379 -0.293 1
1 332 . 1 1 1 A 50 50 LYS H H 28 7.937 7.617 0.320 1
1 333 . 1 1 1 A 50 50 LYS HA H 28 3.907 3.927 -0.020 1
1 342 . 1 1 1 A 50 50 LYS C C 28 180.866 179.369 1.497 1
1 343 . 1 1 1 A 50 50 LYS CA C 28 59.000 59.247 -0.247 1
1 344 . 1 1 1 A 50 50 LYS CB C 28 31.730 32.166 -0.436 1
1 348 . 1 1 1 A 50 50 LYS N N 28 125.227 122.286 2.941 1
1 349 . 1 1 1 A 51 51 LEU H H 29 8.364 7.992 0.372 1
1 350 . 1 1 1 A 51 51 LEU HA H 29 4.357 4.073 0.284 1
1 360 . 1 1 1 A 51 51 LEU C C 29 180.056 178.296 1.760 1
1 361 . 1 1 1 A 51 51 LEU CA C 29 58.360 57.488 0.872 1
1 362 . 1 1 1 A 51 51 LEU CB C 29 41.510 41.622 -0.112 1
1 366 . 1 1 1 A 51 51 LEU N N 29 122.366 121.740 0.626 1
1 367 . 1 1 1 A 52 52 LYS H H 30 8.711 7.997 0.714 1
1 368 . 1 1 1 A 52 52 LYS HA H 30 4.542 4.027 0.515 1
1 377 . 1 1 1 A 52 52 LYS C C 30 182.257 179.314 2.943 1
1 378 . 1 1 1 A 52 52 LYS CA C 30 59.310 59.098 0.212 1
1 379 . 1 1 1 A 52 52 LYS CB C 30 33.380 31.842 1.538 1
1 383 . 1 1 1 A 52 52 LYS N N 30 119.050 119.855 -0.805 1
1 384 . 1 1 1 A 53 53 THR H H 31 8.130 7.950 0.180 1
1 385 . 1 1 1 A 53 53 THR HA H 31 3.655 3.882 -0.227 1
1 390 . 1 1 1 A 53 53 THR C C 31 179.092 176.119 2.973 1
1 391 . 1 1 1 A 53 53 THR CA C 31 66.890 66.750 0.140 1
1 392 . 1 1 1 A 53 53 THR CB C 31 68.370 68.443 -0.073 1
1 394 . 1 1 1 A 53 53 THR N N 31 118.206 116.982 1.224 1
1 395 . 1 1 1 A 54 54 HIS H H 32 8.310 7.820 0.490 1
1 396 . 1 1 1 A 54 54 HIS HA H 32 4.566 4.102 0.464 1
1 400 . 1 1 1 A 54 54 HIS C C 32 180.735 176.896 3.839 1
1 401 . 1 1 1 A 54 54 HIS CA C 32 60.010 60.090 -0.080 1
1 402 . 1 1 1 A 54 54 HIS CB C 32 31.620 29.105 2.515 1
1 404 . 1 1 1 A 54 54 HIS N N 32 124.425 121.376 3.049 1
1 405 . 1 1 1 A 55 55 LEU H H 33 9.036 8.198 0.838 1
1 406 . 1 1 1 A 55 55 LEU HA H 33 3.958 3.874 0.084 1
1 416 . 1 1 1 A 55 55 LEU C C 33 180.877 179.529 1.348 1
1 417 . 1 1 1 A 55 55 LEU CA C 33 58.180 57.623 0.557 1
1 418 . 1 1 1 A 55 55 LEU CB C 33 40.710 41.762 -1.052 1
1 422 . 1 1 1 A 55 55 LEU N N 33 119.746 120.392 -0.646 1
1 423 . 1 1 1 A 56 56 SER H H 34 8.266 8.016 0.250 1
1 424 . 1 1 1 A 56 56 SER HA H 34 4.159 4.277 -0.118 1
1 427 . 1 1 1 A 56 56 SER C C 34 176.015 176.203 -0.188 1
1 428 . 1 1 1 A 56 56 SER CA C 34 61.590 61.769 -0.179 1
1 429 . 1 1 1 A 56 56 SER CB C 34 63.600 63.058 0.542 1
1 430 . 1 1 1 A 56 56 SER N N 34 114.534 113.869 0.665 1
1 431 . 1 1 1 A 57 57 ASN H H 35 7.273 7.483 -0.210 1
1 432 . 1 1 1 A 57 57 ASN HA H 35 4.799 4.596 0.203 1
1 437 . 1 1 1 A 57 57 ASN C C 35 179.004 177.282 1.722 1
1 438 . 1 1 1 A 57 57 ASN CA C 35 54.520 55.415 -0.895 1
1 439 . 1 1 1 A 57 57 ASN CB C 35 40.890 39.174 1.716 1
1 440 . 1 1 1 A 57 57 ASN N N 35 115.349 119.718 -4.369 1
1 442 . 1 1 1 A 58 58 VAL H H 36 7.810 7.235 0.575 1
1 443 . 1 1 1 A 58 58 VAL HA H 36 4.309 4.124 0.185 1
1 451 . 1 1 1 A 58 58 VAL C C 36 178.446 175.231 3.215 1
1 452 . 1 1 1 A 58 58 VAL CA C 36 62.350 62.568 -0.218 1
1 453 . 1 1 1 A 58 58 VAL CB C 36 32.980 31.889 1.091 1
1 456 . 1 1 1 A 58 58 VAL N N 36 110.874 112.274 -1.400 1
1 457 . 1 1 1 A 59 59 TYR H H 37 8.896 7.788 1.108 1
1 458 . 1 1 1 A 59 59 TYR HA H 37 4.482 4.715 -0.233 1
1 465 . 1 1 1 A 59 59 TYR CA C 37 57.740 56.304 1.436 1
1 466 . 1 1 1 A 59 59 TYR CB C 37 40.440 39.548 0.892 1
1 469 . 1 1 1 A 59 59 TYR N N 37 127.773 124.395 3.378 1
1 470 . 1 1 1 A 60 60 PRO HA H 38 3.956 4.285 -0.329 1
1 477 . 1 1 1 A 60 60 PRO C C 38 178.511 177.505 1.006 1
1 478 . 1 1 1 A 60 60 PRO CA C 38 65.560 64.582 0.978 1
1 479 . 1 1 1 A 60 60 PRO CB C 38 31.860 31.628 0.232 1
1 482 . 1 1 1 A 61 61 SER H H 39 6.571 7.531 -0.960 1
1 483 . 1 1 1 A 61 61 SER HA H 39 4.238 4.280 -0.042 1
1 486 . 1 1 1 A 61 61 SER C C 39 175.774 174.092 1.682 1
1 487 . 1 1 1 A 61 61 SER CA C 39 58.290 60.739 -2.449 1
1 488 . 1 1 1 A 61 61 SER CB C 39 63.420 63.683 -0.263 1
1 489 . 1 1 1 A 61 61 SER N N 39 108.382 111.775 -3.393 1
1 490 . 1 1 1 A 62 62 LYS H H 40 8.384 7.834 0.550 1
1 491 . 1 1 1 A 62 62 LYS HA H 40 3.922 4.020 -0.098 1
1 500 . 1 1 1 A 62 62 LYS CA C 40 56.710 56.666 0.044 1
1 501 . 1 1 1 A 62 62 LYS CB C 40 30.640 30.640 0.000 1
1 505 . 1 1 1 A 62 62 LYS N N 40 118.443 119.226 -0.783 1
1 506 . 1 1 1 A 63 63 PRO HA H 41 4.284 4.584 -0.300 1
1 513 . 1 1 1 A 63 63 PRO C C 41 179.464 176.396 3.068 1
1 514 . 1 1 1 A 63 63 PRO CA C 41 62.620 62.464 0.156 1
1 515 . 1 1 1 A 63 63 PRO CB C 41 31.640 32.787 -1.147 1
1 518 . 1 1 1 A 64 64 LEU H H 42 8.689 8.379 0.310 1
1 519 . 1 1 1 A 64 64 LEU HA H 42 4.212 4.183 0.029 1
1 529 . 1 1 1 A 64 64 LEU C C 42 182.476 176.941 5.535 1
1 530 . 1 1 1 A 64 64 LEU CA C 42 54.750 54.427 0.323 1
1 531 . 1 1 1 A 64 64 LEU CB C 42 41.360 40.616 0.744 1
1 535 . 1 1 1 A 64 64 LEU N N 42 122.677 122.202 0.475 1
1 536 . 1 1 1 A 65 65 THR H H 43 8.858 8.345 0.513 1
1 537 . 1 1 1 A 65 65 THR HA H 43 3.779 3.824 -0.045 1
1 542 . 1 1 1 A 65 65 THR C C 43 180.078 176.102 3.976 1
1 543 . 1 1 1 A 65 65 THR CA C 43 66.310 66.366 -0.056 1
1 544 . 1 1 1 A 65 65 THR CB C 43 68.100 68.768 -0.668 1
1 546 . 1 1 1 A 65 65 THR N N 43 116.000 119.982 -3.982 1
1 547 . 1 1 1 A 66 66 LYS H H 44 7.921 8.544 -0.623 1
1 548 . 1 1 1 A 66 66 LYS HA H 44 4.125 4.045 0.080 1
1 557 . 1 1 1 A 66 66 LYS C C 44 177.953 178.299 -0.346 1
1 558 . 1 1 1 A 66 66 LYS CA C 44 57.730 58.955 -1.225 1
1 559 . 1 1 1 A 66 66 LYS CB C 44 31.890 32.050 -0.160 1
1 563 . 1 1 1 A 66 66 LYS N N 44 117.614 120.236 -2.622 1
1 564 . 1 1 1 A 67 67 ASP H H 45 7.394 7.495 -0.101 1
1 565 . 1 1 1 A 67 67 ASP HA H 45 4.746 4.624 0.122 1
1 568 . 1 1 1 A 67 67 ASP C C 45 177.876 176.940 0.936 1
1 569 . 1 1 1 A 67 67 ASP CA C 45 54.350 55.596 -1.246 1
1 570 . 1 1 1 A 67 67 ASP CB C 45 42.090 41.711 0.379 1
1 571 . 1 1 1 A 67 67 ASP N N 45 118.443 117.353 1.090 1
1 572 . 1 1 1 A 68 68 GLN H H 46 7.143 7.986 -0.843 1
1 573 . 1 1 1 A 68 68 GLN HA H 46 4.054 4.412 -0.358 1
1 578 . 1 1 1 A 68 68 GLN C C 46 177.515 175.975 1.540 1
1 579 . 1 1 1 A 68 68 GLN CA C 46 56.750 56.386 0.364 1
1 580 . 1 1 1 A 68 68 GLN CB C 46 31.150 29.563 1.587 1
1 582 . 1 1 1 A 68 68 GLN N N 46 120.205 117.317 2.888 1
1 583 . 1 1 1 A 69 69 ARG H H 47 8.269 8.823 -0.554 1
1 584 . 1 1 1 A 69 69 ARG HA H 47 4.334 5.065 -0.731 1
1 591 . 1 1 1 A 69 69 ARG C C 47 175.708 174.490 1.218 1
1 592 . 1 1 1 A 69 69 ARG CA C 47 55.010 54.197 0.813 1
1 593 . 1 1 1 A 69 69 ARG CB C 47 31.390 34.645 -3.255 1
1 596 . 1 1 1 A 69 69 ARG N N 47 124.781 122.729 2.052 1
1 597 . 1 1 1 A 70 70 LEU H H 48 8.254 8.781 -0.527 1
1 598 . 1 1 1 A 70 70 LEU HA H 48 5.444 5.030 0.414 1
1 608 . 1 1 1 A 70 70 LEU C C 48 177.175 175.612 1.563 1
1 609 . 1 1 1 A 70 70 LEU CA C 48 52.810 53.602 -0.792 1
1 610 . 1 1 1 A 70 70 LEU CB C 48 45.100 42.866 2.234 1
1 614 . 1 1 1 A 70 70 LEU N N 48 122.071 122.109 -0.038 1
1 615 . 1 1 1 A 71 71 VAL H H 49 9.251 9.104 0.147 1
1 616 . 1 1 1 A 71 71 VAL HA H 49 4.889 4.924 -0.035 1
1 624 . 1 1 1 A 71 71 VAL C C 49 177.208 174.120 3.088 1
1 625 . 1 1 1 A 71 71 VAL CA C 49 60.570 61.099 -0.529 1
1 626 . 1 1 1 A 71 71 VAL CB C 49 34.580 33.148 1.432 1
1 629 . 1 1 1 A 71 71 VAL N N 49 122.797 125.368 -2.571 1
1 630 . 1 1 1 A 72 72 TYR H H 50 8.684 8.982 -0.298 1
1 631 . 1 1 1 A 72 72 TYR HA H 50 5.155 4.948 0.207 1
1 638 . 1 1 1 A 72 72 TYR CA C 50 56.060 57.571 -1.511 1
1 639 . 1 1 1 A 72 72 TYR CB C 50 43.140 40.667 2.473 1
1 642 . 1 1 1 A 72 72 TYR N N 50 126.349 129.206 -2.857 1
1 643 . 1 1 1 A 73 73 SER HA H 51 3.673 4.025 -0.352 1
1 646 . 1 1 1 A 73 73 SER C C 51 177.153 174.315 2.838 1
1 647 . 1 1 1 A 73 73 SER CA C 51 58.000 59.089 -1.089 1
1 648 . 1 1 1 A 73 73 SER CB C 51 62.190 61.447 0.743 1
1 649 . 1 1 1 A 74 74 GLY H H 52 8.209 8.257 -0.048 1
1 650 . 1 1 1 A 74 74 GLY HA2 H 52 4.030 4.014 0.016 1
1 651 . 1 1 1 A 74 74 GLY HA3 H 52 3.346 4.017 -0.671 1
1 652 . 1 1 1 A 74 74 GLY C C 52 175.259 174.410 0.849 1
1 653 . 1 1 1 A 74 74 GLY CA C 52 44.990 45.056 -0.066 1
1 654 . 1 1 1 A 74 74 GLY N N 52 103.501 105.863 -2.362 1
1 655 . 1 1 1 A 75 75 ARG H H 53 7.816 7.601 0.215 1
1 656 . 1 1 1 A 75 75 ARG HA H 53 4.555 4.421 0.134 1
1 663 . 1 1 1 A 75 75 ARG C C 53 176.321 175.091 1.230 1
1 664 . 1 1 1 A 75 75 ARG CA C 53 54.590 55.725 -1.135 1
1 665 . 1 1 1 A 75 75 ARG CB C 53 32.620 31.699 0.921 1
1 668 . 1 1 1 A 75 75 ARG N N 53 121.834 119.753 2.081 1
1 669 . 1 1 1 A 76 76 LEU H H 54 8.470 8.551 -0.081 1
1 670 . 1 1 1 A 76 76 LEU HA H 54 4.500 4.939 -0.439 1
1 680 . 1 1 1 A 76 76 LEU C C 54 179.639 174.767 4.872 1
1 681 . 1 1 1 A 76 76 LEU CA C 54 55.260 53.729 1.531 1
1 682 . 1 1 1 A 76 76 LEU CB C 54 42.210 44.559 -2.349 1
1 686 . 1 1 1 A 76 76 LEU N N 54 127.239 123.440 3.799 1
1 687 . 1 1 1 A 77 77 LEU H H 55 8.863 9.047 -0.184 1
1 688 . 1 1 1 A 77 77 LEU HA H 55 4.605 4.859 -0.254 1
1 698 . 1 1 1 A 77 77 LEU CA C 55 52.230 51.322 0.908 1
1 699 . 1 1 1 A 77 77 LEU CB C 55 43.090 42.345 0.745 1
1 703 . 1 1 1 A 77 77 LEU N N 55 127.741 128.124 -0.383 1
1 704 . 1 1 1 A 78 78 PRO HA H 56 4.708 4.721 -0.013 1
1 711 . 1 1 1 A 78 78 PRO C C 56 179.519 176.967 2.552 1
1 712 . 1 1 1 A 78 78 PRO CA C 56 61.780 62.458 -0.678 1
1 713 . 1 1 1 A 78 78 PRO CB C 56 32.600 32.730 -0.130 1
1 716 . 1 1 1 A 79 79 ASP H H 57 8.109 8.757 -0.648 1
1 717 . 1 1 1 A 79 79 ASP HA H 57 4.122 4.208 -0.086 1
1 720 . 1 1 1 A 79 79 ASP C C 57 179.782 177.293 2.489 1
1 721 . 1 1 1 A 79 79 ASP CA C 57 57.380 55.811 1.569 1
1 722 . 1 1 1 A 79 79 ASP CB C 57 41.200 39.904 1.296 1
1 723 . 1 1 1 A 79 79 ASP N N 57 116.504 123.529 -7.025 1
1 724 . 1 1 1 A 80 80 HIS H H 58 7.815 7.663 0.152 1
1 725 . 1 1 1 A 80 80 HIS HA H 58 4.519 4.478 0.041 1
1 730 . 1 1 1 A 80 80 HIS C C 58 177.668 175.490 2.178 1
1 731 . 1 1 1 A 80 80 HIS CA C 58 57.110 57.855 -0.745 1
1 732 . 1 1 1 A 80 80 HIS CB C 58 30.770 29.408 1.362 1
1 735 . 1 1 1 A 80 80 HIS N N 58 112.239 115.358 -3.119 1
1 736 . 1 1 1 A 81 81 LEU H H 59 6.281 7.089 -0.808 1
1 737 . 1 1 1 A 81 81 LEU HA H 59 4.157 4.444 -0.287 1
1 747 . 1 1 1 A 81 81 LEU C C 59 178.501 176.715 1.786 1
1 748 . 1 1 1 A 81 81 LEU CA C 59 53.970 53.332 0.638 1
1 749 . 1 1 1 A 81 81 LEU CB C 59 43.360 43.302 0.058 1
1 753 . 1 1 1 A 81 81 LEU N N 59 120.531 117.494 3.037 1
1 754 . 1 1 1 A 82 82 GLN H H 60 8.863 8.846 0.017 1
1 755 . 1 1 1 A 82 82 GLN HA H 60 4.891 4.335 0.556 1
1 762 . 1 1 1 A 82 82 GLN C C 60 180.417 177.424 2.993 1
1 763 . 1 1 1 A 82 82 GLN CA C 60 54.880 55.711 -0.831 1
1 764 . 1 1 1 A 82 82 GLN CB C 60 31.480 29.130 2.350 1
1 766 . 1 1 1 A 82 82 GLN N N 60 118.014 120.832 -2.818 1
1 768 . 1 1 1 A 83 83 LEU H H 61 8.688 8.549 0.139 1
1 769 . 1 1 1 A 83 83 LEU HA H 61 3.705 3.792 -0.087 1
1 779 . 1 1 1 A 83 83 LEU C C 61 181.775 178.566 3.209 1
1 780 . 1 1 1 A 83 83 LEU CA C 61 58.510 57.928 0.582 1
1 781 . 1 1 1 A 83 83 LEU CB C 61 40.330 41.208 -0.878 1
1 785 . 1 1 1 A 83 83 LEU N N 61 121.910 123.854 -1.944 1
1 786 . 1 1 1 A 84 84 LYS H H 62 8.525 7.777 0.748 1
1 787 . 1 1 1 A 84 84 LYS HA H 62 3.972 4.012 -0.040 1
1 796 . 1 1 1 A 84 84 LYS C C 62 177.865 178.034 -0.169 1
1 797 . 1 1 1 A 84 84 LYS CA C 62 57.690 59.081 -1.391 1
1 798 . 1 1 1 A 84 84 LYS CB C 62 31.440 32.134 -0.694 1
1 802 . 1 1 1 A 84 84 LYS N N 62 115.896 117.534 -1.638 1
1 803 . 1 1 1 A 85 85 ASP H H 63 7.598 7.806 -0.208 1
1 804 . 1 1 1 A 85 85 ASP HA H 63 4.710 4.348 0.362 1
1 807 . 1 1 1 A 85 85 ASP C C 63 177.307 177.838 -0.531 1
1 808 . 1 1 1 A 85 85 ASP CA C 63 55.460 57.361 -1.901 1
1 809 . 1 1 1 A 85 85 ASP CB C 63 42.000 42.093 -0.093 1
1 810 . 1 1 1 A 85 85 ASP N N 63 118.917 119.200 -0.283 1
1 811 . 1 1 1 A 86 86 ILE H H 64 7.417 7.286 0.131 1
1 812 . 1 1 1 A 86 86 ILE HA H 64 4.027 3.951 0.076 1
1 822 . 1 1 1 A 86 86 ILE C C 64 177.055 176.834 0.221 1
1 823 . 1 1 1 A 86 86 ILE CA C 64 62.150 63.334 -1.184 1
1 824 . 1 1 1 A 86 86 ILE CB C 64 42.670 38.179 4.491 1
1 828 . 1 1 1 A 86 86 ILE N N 64 117.599 117.610 -0.011 1
1 829 . 1 1 1 A 87 87 LEU H H 65 7.399 7.368 0.031 1
1 830 . 1 1 1 A 87 87 LEU HA H 65 3.695 3.986 -0.291 1
1 840 . 1 1 1 A 87 87 LEU C C 65 179.409 177.050 2.359 1
1 841 . 1 1 1 A 87 87 LEU CA C 65 55.040 54.045 0.995 1
1 842 . 1 1 1 A 87 87 LEU CB C 65 40.910 40.738 0.172 1
1 846 . 1 1 1 A 87 87 LEU N N 65 116.948 119.910 -2.962 1
1 847 . 1 1 1 A 88 88 ARG H H 66 7.954 7.789 0.165 1
1 848 . 1 1 1 A 88 88 ARG HA H 66 4.227 3.987 0.240 1
1 855 . 1 1 1 A 88 88 ARG C C 66 179.333 178.768 0.565 1
1 856 . 1 1 1 A 88 88 ARG CA C 66 56.960 58.860 -1.900 1
1 857 . 1 1 1 A 88 88 ARG CB C 66 30.570 29.550 1.020 1
1 860 . 1 1 1 A 88 88 ARG N N 66 122.752 121.186 1.566 1
1 861 . 1 1 1 A 89 89 LYS H H 67 8.374 8.046 0.328 1
1 862 . 1 1 1 A 89 89 LYS HA H 67 3.948 4.041 -0.093 1
1 871 . 1 1 1 A 89 89 LYS C C 67 179.278 178.495 0.783 1
1 872 . 1 1 1 A 89 89 LYS CA C 67 58.560 59.704 -1.144 1
1 873 . 1 1 1 A 89 89 LYS CB C 67 32.620 32.279 0.341 1
1 877 . 1 1 1 A 89 89 LYS N N 67 124.661 118.778 5.883 1
1 878 . 1 1 1 A 90 90 GLN H H 68 8.616 7.761 0.855 1
1 879 . 1 1 1 A 90 90 GLN HA H 68 4.169 4.155 0.014 1
1 886 . 1 1 1 A 90 90 GLN C C 68 177.778 175.580 2.198 1
1 887 . 1 1 1 A 90 90 GLN CA C 68 56.670 58.283 -1.613 1
1 888 . 1 1 1 A 90 90 GLN CB C 68 28.230 28.805 -0.575 1
1 890 . 1 1 1 A 90 90 GLN N N 68 115.896 119.406 -3.510 1
1 892 . 1 1 1 A 91 91 ASP H H 69 7.319 8.423 -1.104 1
1 893 . 1 1 1 A 91 91 ASP HA H 69 4.523 5.056 -0.533 1
1 896 . 1 1 1 A 91 91 ASP C C 69 177.164 176.851 0.313 1
1 897 . 1 1 1 A 91 91 ASP CA C 69 54.440 56.227 -1.787 1
1 898 . 1 1 1 A 91 91 ASP CB C 69 41.200 40.547 0.653 1
1 899 . 1 1 1 A 91 91 ASP N N 69 121.181 119.344 1.837 1
1 900 . 1 1 1 A 92 92 GLU H H 70 8.320 8.284 0.036 1
1 901 . 1 1 1 A 92 92 GLU HA H 70 3.892 4.172 -0.280 1
1 906 . 1 1 1 A 92 92 GLU C C 70 177.657 175.580 2.077 1
1 907 . 1 1 1 A 92 92 GLU CA C 70 57.260 59.196 -1.936 1
1 908 . 1 1 1 A 92 92 GLU CB C 70 30.750 29.825 0.925 1
1 910 . 1 1 1 A 92 92 GLU N N 70 120.205 118.823 1.382 1
1 911 . 1 1 1 A 93 93 TYR H H 71 7.251 7.372 -0.121 1
1 912 . 1 1 1 A 93 93 TYR HA H 71 4.550 5.362 -0.812 1
1 919 . 1 1 1 A 93 93 TYR C C 71 175.861 173.393 2.468 1
1 920 . 1 1 1 A 93 93 TYR CA C 71 55.550 55.909 -0.359 1
1 921 . 1 1 1 A 93 93 TYR CB C 71 39.680 42.345 -2.665 1
1 924 . 1 1 1 A 93 93 TYR N N 71 115.349 113.696 1.653 1
1 925 . 1 1 1 A 94 94 HIS H H 72 7.991 8.634 -0.643 1
1 926 . 1 1 1 A 94 94 HIS HA H 72 5.034 5.118 -0.084 1
1 930 . 1 1 1 A 94 94 HIS C C 72 176.157 174.333 1.824 1
1 931 . 1 1 1 A 94 94 HIS CA C 72 54.990 54.422 0.568 1
1 932 . 1 1 1 A 94 94 HIS CB C 72 33.910 33.050 0.860 1
1 934 . 1 1 1 A 94 94 HIS N N 72 120.146 118.121 2.025 1
1 935 . 1 1 1 A 95 95 MET H H 73 9.227 9.178 0.049 1
1 936 . 1 1 1 A 95 95 MET HA H 73 5.306 5.162 0.144 1
1 941 . 1 1 1 A 95 95 MET C C 73 176.891 175.486 1.405 1
1 942 . 1 1 1 A 95 95 MET CA C 73 54.500 54.143 0.357 1
1 943 . 1 1 1 A 95 95 MET CB C 73 33.690 33.715 -0.025 1
1 945 . 1 1 1 A 95 95 MET N N 73 124.691 123.999 0.692 1
1 946 . 1 1 1 A 96 96 VAL H H 74 9.070 9.233 -0.163 1
1 947 . 1 1 1 A 96 96 VAL HA H 74 4.719 4.795 -0.076 1
1 955 . 1 1 1 A 96 96 VAL C C 74 175.653 175.168 0.485 1
1 956 . 1 1 1 A 96 96 VAL CA C 74 60.790 61.188 -0.398 1
1 957 . 1 1 1 A 96 96 VAL CB C 74 35.290 33.837 1.453 1
1 960 . 1 1 1 A 96 96 VAL N N 74 125.298 125.174 0.124 1
1 961 . 1 1 1 A 97 97 HIS H H 75 9.197 9.100 0.097 1
1 962 . 1 1 1 A 97 97 HIS HA H 75 5.213 5.283 -0.070 1
1 966 . 1 1 1 A 97 97 HIS C C 75 176.245 175.062 1.183 1
1 967 . 1 1 1 A 97 97 HIS CA C 75 55.800 55.227 0.573 1
1 968 . 1 1 1 A 97 97 HIS CB C 75 32.170 31.594 0.576 1
1 970 . 1 1 1 A 97 97 HIS N N 75 125.299 126.521 -1.222 1
1 971 . 1 1 1 A 98 98 LEU H H 76 8.423 8.757 -0.334 1
1 972 . 1 1 1 A 98 98 LEU HA H 76 5.059 4.390 0.669 1
1 982 . 1 1 1 A 98 98 LEU C C 76 177.592 175.365 2.227 1
1 983 . 1 1 1 A 98 98 LEU CA C 76 54.150 55.795 -1.645 1
1 984 . 1 1 1 A 98 98 LEU CB C 76 43.540 42.628 0.912 1
1 988 . 1 1 1 A 98 98 LEU N N 76 126.291 126.834 -0.543 1
1 13 . 2 1 1 A 24 24 VAL H H 2 8.008 8.230 -0.222 1
1 14 . 2 1 1 A 24 24 VAL HA H 2 4.297 4.598 -0.301 1
1 22 . 2 1 1 A 24 24 VAL C C 2 175.571 175.353 0.218 1
1 23 . 2 1 1 A 24 24 VAL CA C 2 60.030 61.461 -1.431 1
1 24 . 2 1 1 A 24 24 VAL CB C 2 34.710 31.290 3.420 1
1 27 . 2 1 1 A 24 24 VAL N N 2 118.399 123.940 -5.541 1
1 28 . 2 1 1 A 25 25 THR H H 3 8.520 8.969 -0.449 1
1 29 . 2 1 1 A 25 25 THR HA H 3 4.738 4.640 0.098 1
1 34 . 2 1 1 A 25 25 THR C C 3 175.275 173.193 2.082 1
1 35 . 2 1 1 A 25 25 THR CA C 3 62.350 62.765 -0.415 1
1 36 . 2 1 1 A 25 25 THR CB C 3 69.930 68.224 1.706 1
1 38 . 2 1 1 A 25 25 THR N N 3 121.522 123.723 -2.201 1
1 39 . 2 1 1 A 26 26 LEU H H 4 8.929 9.101 -0.172 1
1 40 . 2 1 1 A 26 26 LEU HA H 4 5.102 4.826 0.276 1
1 50 . 2 1 1 A 26 26 LEU C C 4 176.809 174.920 1.889 1
1 51 . 2 1 1 A 26 26 LEU CA C 4 52.850 54.168 -1.318 1
1 52 . 2 1 1 A 26 26 LEU CB C 4 45.140 43.399 1.741 1
1 56 . 2 1 1 A 26 26 LEU N N 4 127.076 129.007 -1.931 1
1 57 . 2 1 1 A 27 27 ILE H H 5 8.990 8.822 0.168 1
1 58 . 2 1 1 A 27 27 ILE HA H 5 4.682 4.881 -0.199 1
1 68 . 2 1 1 A 27 27 ILE C C 5 176.962 175.330 1.632 1
1 69 . 2 1 1 A 27 27 ILE CA C 5 59.810 61.156 -1.346 1
1 70 . 2 1 1 A 27 27 ILE CB C 5 38.590 36.698 1.892 1
1 74 . 2 1 1 A 27 27 ILE N N 5 122.974 127.736 -4.762 1
1 75 . 2 1 1 A 28 28 ILE H H 6 9.288 9.025 0.263 1
1 76 . 2 1 1 A 28 28 ILE HA H 6 5.025 4.737 0.288 1
1 86 . 2 1 1 A 28 28 ILE C C 6 178.889 175.593 3.296 1
1 87 . 2 1 1 A 28 28 ILE CA C 6 57.620 60.947 -3.327 1
1 88 . 2 1 1 A 28 28 ILE CB C 6 36.680 37.419 -0.739 1
1 92 . 2 1 1 A 28 28 ILE N N 6 125.520 129.340 -3.820 1
1 93 . 2 1 1 A 29 29 LYS H H 7 8.832 8.872 -0.040 1
1 94 . 2 1 1 A 29 29 LYS HA H 7 4.597 4.977 -0.380 1
1 103 . 2 1 1 A 29 29 LYS C C 7 176.414 175.146 1.268 1
1 104 . 2 1 1 A 29 29 LYS CA C 7 54.240 54.173 0.067 1
1 105 . 2 1 1 A 29 29 LYS CB C 7 34.050 35.365 -1.315 1
1 109 . 2 1 1 A 29 29 LYS N N 7 130.704 127.479 3.225 1
1 110 . 2 1 1 A 30 30 ALA H H 8 9.021 8.506 0.515 1
1 111 . 2 1 1 A 30 30 ALA HA H 8 5.221 4.840 0.381 1
1 115 . 2 1 1 A 30 30 ALA CA C 8 49.220 50.274 -1.054 1
1 116 . 2 1 1 A 30 30 ALA CB C 8 20.620 19.248 1.372 1
1 117 . 2 1 1 A 30 30 ALA N N 8 126.869 123.787 3.082 1
1 118 . 2 1 1 A 31 31 PRO HA H 9 4.445 4.514 -0.069 1
1 125 . 2 1 1 A 31 31 PRO CA C 9 63.990 65.505 -1.515 1
1 126 . 2 1 1 A 31 31 PRO CB C 9 31.860 31.725 0.135 1
1 129 . 2 1 1 A 32 32 ASN HA H 10 4.531 4.824 -0.293 1
1 134 . 2 1 1 A 32 32 ASN C C 10 176.666 175.062 1.604 1
1 135 . 2 1 1 A 32 32 ASN CA C 10 53.210 52.774 0.436 1
1 136 . 2 1 1 A 32 32 ASN CB C 10 38.150 38.424 -0.274 1
1 138 . 2 1 1 A 33 33 GLN H H 11 8.123 7.838 0.285 1
1 139 . 2 1 1 A 33 33 GLN N N 11 114.038 117.051 -3.013 1
1 140 . 2 1 1 A 34 34 LYS HA H 12 3.817 3.978 -0.161 1
1 149 . 2 1 1 A 34 34 LYS C C 12 178.002 175.901 2.101 1
1 150 . 2 1 1 A 34 34 LYS CA C 12 58.290 59.081 -0.791 1
1 151 . 2 1 1 A 34 34 LYS CB C 12 32.570 32.165 0.405 1
1 155 . 2 1 1 A 35 35 TYR H H 13 6.845 7.960 -1.115 1
1 156 . 2 1 1 A 35 35 TYR HA H 13 4.654 4.653 0.001 1
1 163 . 2 1 1 A 35 35 TYR CA C 13 56.060 57.898 -1.838 1
1 164 . 2 1 1 A 35 35 TYR CB C 13 41.000 39.234 1.766 1
1 167 . 2 1 1 A 35 35 TYR N N 13 112.988 117.625 -4.637 1
1 168 . 2 1 1 A 36 36 SER HA H 14 4.376 4.467 -0.091 1
1 171 . 2 1 1 A 36 36 SER C C 14 177.170 173.098 4.072 1
1 172 . 2 1 1 A 36 36 SER CA C 14 58.160 58.365 -0.205 1
1 173 . 2 1 1 A 36 36 SER CB C 14 64.000 64.416 -0.416 1
1 174 . 2 1 1 A 37 37 ASP H H 15 8.910 8.567 0.343 1
1 175 . 2 1 1 A 37 37 ASP HA H 15 4.622 4.635 -0.013 1
1 178 . 2 1 1 A 37 37 ASP C C 15 178.221 175.945 2.276 1
1 179 . 2 1 1 A 37 37 ASP CA C 15 55.680 54.379 1.301 1
1 180 . 2 1 1 A 37 37 ASP CB C 15 39.640 40.453 -0.813 1
1 181 . 2 1 1 A 37 37 ASP N N 15 125.921 122.685 3.236 1
1 182 . 2 1 1 A 38 38 GLN H H 16 8.224 8.693 -0.469 1
1 183 . 2 1 1 A 38 38 GLN HA H 16 4.653 4.659 -0.006 1
1 190 . 2 1 1 A 38 38 GLN C C 16 176.655 175.236 1.419 1
1 191 . 2 1 1 A 38 38 GLN CA C 16 53.230 55.273 -2.043 1
1 192 . 2 1 1 A 38 38 GLN CB C 16 31.390 29.102 2.288 1
1 194 . 2 1 1 A 38 38 GLN N N 16 121.123 124.620 -3.497 1
1 196 . 2 1 1 A 39 39 THR H H 17 8.733 8.478 0.255 1
1 197 . 2 1 1 A 39 39 THR HA H 17 4.936 4.765 0.171 1
1 202 . 2 1 1 A 39 39 THR C C 17 176.173 173.518 2.655 1
1 203 . 2 1 1 A 39 39 THR CA C 17 62.170 61.081 1.089 1
1 204 . 2 1 1 A 39 39 THR CB C 17 69.300 68.663 0.637 1
1 206 . 2 1 1 A 39 39 THR N N 17 120.324 115.942 4.382 1
1 207 . 2 1 1 A 40 40 ILE H H 18 9.424 8.748 0.676 1
1 208 . 2 1 1 A 40 40 ILE HA H 18 4.592 4.707 -0.115 1
1 218 . 2 1 1 A 40 40 ILE C C 18 176.184 174.967 1.217 1
1 219 . 2 1 1 A 40 40 ILE CA C 18 58.200 60.648 -2.448 1
1 220 . 2 1 1 A 40 40 ILE CB C 18 41.130 37.893 3.237 1
1 224 . 2 1 1 A 40 40 ILE N N 18 126.321 128.468 -2.147 1
1 225 . 2 1 1 A 41 41 SER H H 19 8.518 8.711 -0.193 1
1 226 . 2 1 1 A 41 41 SER HA H 19 4.939 4.781 0.158 1
1 229 . 2 1 1 A 41 41 SER C C 19 175.210 174.345 0.865 1
1 230 . 2 1 1 A 41 41 SER CA C 19 57.160 58.060 -0.900 1
1 231 . 2 1 1 A 41 41 SER CB C 19 63.660 63.676 -0.016 1
1 232 . 2 1 1 A 41 41 SER N N 19 120.959 123.236 -2.277 1
1 233 . 2 1 1 A 42 42 CYS H H 20 8.444 8.717 -0.273 1
1 234 . 2 1 1 A 42 42 CYS HA H 20 3.546 5.077 -1.531 1
1 237 . 2 1 1 A 42 42 CYS CA C 20 55.410 56.402 -0.992 1
1 238 . 2 1 1 A 42 42 CYS CB C 20 28.570 31.325 -2.755 1
1 239 . 2 1 1 A 42 42 CYS N N 20 120.248 121.542 -1.294 1
1 240 . 2 1 1 A 43 43 PHE HA H 21 4.580 4.801 -0.221 1
1 248 . 2 1 1 A 43 43 PHE C C 21 177.980 175.755 2.225 1
1 249 . 2 1 1 A 43 43 PHE CA C 21 56.490 56.300 0.190 1
1 250 . 2 1 1 A 43 43 PHE CB C 21 42.360 43.185 -0.825 1
1 254 . 2 1 1 A 44 44 LEU H H 22 9.159 8.985 0.174 1
1 255 . 2 1 1 A 44 44 LEU HA H 22 3.779 4.201 -0.422 1
1 265 . 2 1 1 A 44 44 LEU C C 22 178.177 178.250 -0.073 1
1 266 . 2 1 1 A 44 44 LEU CA C 22 56.980 56.364 0.616 1
1 267 . 2 1 1 A 44 44 LEU CB C 22 42.090 41.275 0.815 1
1 271 . 2 1 1 A 44 44 LEU N N 22 120.130 125.095 -4.965 1
1 272 . 2 1 1 A 45 45 ASN H H 23 8.058 7.982 0.076 1
1 273 . 2 1 1 A 45 45 ASN HA H 23 4.650 4.247 0.403 1
1 276 . 2 1 1 A 45 45 ASN C C 23 178.364 176.043 2.321 1
1 277 . 2 1 1 A 45 45 ASN CA C 23 52.880 56.270 -3.390 1
1 278 . 2 1 1 A 45 45 ASN CB C 23 37.320 37.748 -0.428 1
1 279 . 2 1 1 A 45 45 ASN N N 23 112.017 115.853 -3.836 1
1 280 . 2 1 1 A 46 46 TRP H H 24 7.857 7.706 0.151 1
1 281 . 2 1 1 A 46 46 TRP HA H 24 4.712 5.000 -0.288 1
1 290 . 2 1 1 A 46 46 TRP C C 24 178.802 176.503 2.299 1
1 291 . 2 1 1 A 46 46 TRP CA C 24 57.240 57.082 0.158 1
1 292 . 2 1 1 A 46 46 TRP CB C 24 29.250 31.678 -2.428 1
1 298 . 2 1 1 A 46 46 TRP N N 24 121.301 117.889 3.412 1
1 300 . 2 1 1 A 47 47 THR H H 25 7.473 9.016 -1.543 1
1 301 . 2 1 1 A 47 47 THR HA H 25 5.097 4.716 0.381 1
1 306 . 2 1 1 A 47 47 THR C C 25 178.375 176.384 1.991 1
1 307 . 2 1 1 A 47 47 THR CA C 25 59.940 60.741 -0.801 1
1 308 . 2 1 1 A 47 47 THR CB C 25 71.080 71.318 -0.238 1
1 310 . 2 1 1 A 47 47 THR N N 25 109.055 114.228 -5.173 1
1 311 . 2 1 1 A 48 48 VAL H H 26 8.349 8.917 -0.568 1
1 312 . 2 1 1 A 48 48 VAL HA H 26 3.433 3.523 -0.090 1
1 320 . 2 1 1 A 48 48 VAL C C 26 180.548 178.350 2.198 1
1 321 . 2 1 1 A 48 48 VAL CA C 26 66.460 66.503 -0.043 1
1 322 . 2 1 1 A 48 48 VAL CB C 26 31.540 31.527 0.013 1
1 325 . 2 1 1 A 48 48 VAL N N 26 123.048 122.213 0.835 1
1 326 . 2 1 1 A 49 49 GLY H H 27 9.099 8.111 0.988 1
1 327 . 2 1 1 A 49 49 GLY HA2 H 27 3.895 3.749 0.146 1
1 328 . 2 1 1 A 49 49 GLY HA3 H 27 3.512 3.759 -0.247 1
1 329 . 2 1 1 A 49 49 GLY C C 27 177.909 175.508 2.401 1
1 330 . 2 1 1 A 49 49 GLY CA C 27 47.100 47.202 -0.102 1
1 331 . 2 1 1 A 49 49 GLY N N 27 107.086 106.966 0.120 1
1 332 . 2 1 1 A 50 50 LYS H H 28 7.937 7.771 0.166 1
1 333 . 2 1 1 A 50 50 LYS HA H 28 3.907 3.943 -0.036 1
1 342 . 2 1 1 A 50 50 LYS C C 28 180.866 179.452 1.414 1
1 343 . 2 1 1 A 50 50 LYS CA C 28 59.000 59.389 -0.389 1
1 344 . 2 1 1 A 50 50 LYS CB C 28 31.730 32.256 -0.526 1
1 348 . 2 1 1 A 50 50 LYS N N 28 125.227 122.184 3.043 1
1 349 . 2 1 1 A 51 51 LEU H H 29 8.364 8.039 0.325 1
1 350 . 2 1 1 A 51 51 LEU HA H 29 4.357 4.194 0.163 1
1 360 . 2 1 1 A 51 51 LEU C C 29 180.056 178.418 1.638 1
1 361 . 2 1 1 A 51 51 LEU CA C 29 58.360 57.685 0.675 1
1 362 . 2 1 1 A 51 51 LEU CB C 29 41.510 41.856 -0.346 1
1 366 . 2 1 1 A 51 51 LEU N N 29 122.366 120.738 1.628 1
1 367 . 2 1 1 A 52 52 LYS H H 30 8.711 7.980 0.731 1
1 368 . 2 1 1 A 52 52 LYS HA H 30 4.542 4.047 0.495 1
1 377 . 2 1 1 A 52 52 LYS C C 30 182.257 179.552 2.705 1
1 378 . 2 1 1 A 52 52 LYS CA C 30 59.310 59.102 0.208 1
1 379 . 2 1 1 A 52 52 LYS CB C 30 33.380 31.826 1.554 1
1 383 . 2 1 1 A 52 52 LYS N N 30 119.050 119.987 -0.937 1
1 384 . 2 1 1 A 53 53 THR H H 31 8.130 7.981 0.149 1
1 385 . 2 1 1 A 53 53 THR HA H 31 3.655 4.005 -0.350 1
1 390 . 2 1 1 A 53 53 THR C C 31 179.092 176.217 2.875 1
1 391 . 2 1 1 A 53 53 THR CA C 31 66.890 66.817 0.073 1
1 392 . 2 1 1 A 53 53 THR CB C 31 68.370 68.204 0.166 1
1 394 . 2 1 1 A 53 53 THR N N 31 118.206 117.859 0.347 1
1 395 . 2 1 1 A 54 54 HIS H H 32 8.310 7.510 0.800 1
1 396 . 2 1 1 A 54 54 HIS HA H 32 4.566 4.234 0.332 1
1 400 . 2 1 1 A 54 54 HIS C C 32 180.735 177.485 3.250 1
1 401 . 2 1 1 A 54 54 HIS CA C 32 60.010 60.118 -0.108 1
1 402 . 2 1 1 A 54 54 HIS CB C 32 31.620 29.731 1.889 1
1 404 . 2 1 1 A 54 54 HIS N N 32 124.425 123.109 1.316 1
1 405 . 2 1 1 A 55 55 LEU H H 33 9.036 8.264 0.772 1
1 406 . 2 1 1 A 55 55 LEU HA H 33 3.958 3.803 0.155 1
1 416 . 2 1 1 A 55 55 LEU C C 33 180.877 178.902 1.975 1
1 417 . 2 1 1 A 55 55 LEU CA C 33 58.180 57.804 0.376 1
1 418 . 2 1 1 A 55 55 LEU CB C 33 40.710 41.985 -1.275 1
1 422 . 2 1 1 A 55 55 LEU N N 33 119.746 120.732 -0.986 1
1 423 . 2 1 1 A 56 56 SER H H 34 8.266 8.241 0.025 1
1 424 . 2 1 1 A 56 56 SER HA H 34 4.159 4.020 0.139 1
1 427 . 2 1 1 A 56 56 SER C C 34 176.015 176.667 -0.652 1
1 428 . 2 1 1 A 56 56 SER CA C 34 61.590 61.414 0.176 1
1 429 . 2 1 1 A 56 56 SER CB C 34 63.600 62.162 1.438 1
1 430 . 2 1 1 A 56 56 SER N N 34 114.534 112.544 1.990 1
1 431 . 2 1 1 A 57 57 ASN H H 35 7.273 7.965 -0.692 1
1 432 . 2 1 1 A 57 57 ASN HA H 35 4.799 4.446 0.353 1
1 437 . 2 1 1 A 57 57 ASN C C 35 179.004 177.238 1.766 1
1 438 . 2 1 1 A 57 57 ASN CA C 35 54.520 56.594 -2.074 1
1 439 . 2 1 1 A 57 57 ASN CB C 35 40.890 39.155 1.735 1
1 440 . 2 1 1 A 57 57 ASN N N 35 115.349 119.953 -4.604 1
1 442 . 2 1 1 A 58 58 VAL H H 36 7.810 7.042 0.768 1
1 443 . 2 1 1 A 58 58 VAL HA H 36 4.309 4.181 0.128 1
1 451 . 2 1 1 A 58 58 VAL C C 36 178.446 175.735 2.711 1
1 452 . 2 1 1 A 58 58 VAL CA C 36 62.350 62.131 0.219 1
1 453 . 2 1 1 A 58 58 VAL CB C 36 32.980 32.060 0.920 1
1 456 . 2 1 1 A 58 58 VAL N N 36 110.874 110.747 0.127 1
1 457 . 2 1 1 A 59 59 TYR H H 37 8.896 7.365 1.531 1
1 458 . 2 1 1 A 59 59 TYR HA H 37 4.482 4.603 -0.121 1
1 465 . 2 1 1 A 59 59 TYR CA C 37 57.740 57.192 0.548 1
1 466 . 2 1 1 A 59 59 TYR CB C 37 40.440 39.563 0.877 1
1 469 . 2 1 1 A 59 59 TYR N N 37 127.773 124.638 3.135 1
1 470 . 2 1 1 A 60 60 PRO HA H 38 3.956 4.477 -0.521 1
1 477 . 2 1 1 A 60 60 PRO C C 38 178.511 177.142 1.369 1
1 478 . 2 1 1 A 60 60 PRO CA C 38 65.560 64.051 1.509 1
1 479 . 2 1 1 A 60 60 PRO CB C 38 31.860 31.875 -0.015 1
1 482 . 2 1 1 A 61 61 SER H H 39 6.571 7.987 -1.416 1
1 483 . 2 1 1 A 61 61 SER HA H 39 4.238 4.814 -0.576 1
1 486 . 2 1 1 A 61 61 SER C C 39 175.774 174.281 1.493 1
1 487 . 2 1 1 A 61 61 SER CA C 39 58.290 58.274 0.016 1
1 488 . 2 1 1 A 61 61 SER CB C 39 63.420 65.030 -1.610 1
1 489 . 2 1 1 A 61 61 SER N N 39 108.382 114.176 -5.794 1
1 490 . 2 1 1 A 62 62 LYS H H 40 8.384 7.983 0.401 1
1 491 . 2 1 1 A 62 62 LYS HA H 40 3.922 4.141 -0.219 1
1 500 . 2 1 1 A 62 62 LYS CA C 40 56.710 56.662 0.048 1
1 501 . 2 1 1 A 62 62 LYS CB C 40 30.640 30.625 0.015 1
1 505 . 2 1 1 A 62 62 LYS N N 40 118.443 119.137 -0.694 1
1 506 . 2 1 1 A 63 63 PRO HA H 41 4.284 4.491 -0.207 1
1 513 . 2 1 1 A 63 63 PRO C C 41 179.464 176.096 3.368 1
1 514 . 2 1 1 A 63 63 PRO CA C 41 62.620 62.619 0.001 1
1 515 . 2 1 1 A 63 63 PRO CB C 41 31.640 31.712 -0.072 1
1 518 . 2 1 1 A 64 64 LEU H H 42 8.689 8.286 0.403 1
1 519 . 2 1 1 A 64 64 LEU HA H 42 4.212 4.249 -0.037 1
1 529 . 2 1 1 A 64 64 LEU C C 42 182.476 178.232 4.244 1
1 530 . 2 1 1 A 64 64 LEU CA C 42 54.750 54.156 0.594 1
1 531 . 2 1 1 A 64 64 LEU CB C 42 41.360 40.742 0.618 1
1 535 . 2 1 1 A 64 64 LEU N N 42 122.677 121.627 1.050 1
1 536 . 2 1 1 A 65 65 THR H H 43 8.858 8.632 0.226 1
1 537 . 2 1 1 A 65 65 THR HA H 43 3.779 3.904 -0.125 1
1 542 . 2 1 1 A 65 65 THR C C 43 180.078 175.817 4.261 1
1 543 . 2 1 1 A 65 65 THR CA C 43 66.310 65.633 0.677 1
1 544 . 2 1 1 A 65 65 THR CB C 43 68.100 68.058 0.042 1
1 546 . 2 1 1 A 65 65 THR N N 43 116.000 117.707 -1.707 1
1 547 . 2 1 1 A 66 66 LYS H H 44 7.921 8.555 -0.634 1
1 548 . 2 1 1 A 66 66 LYS HA H 44 4.125 4.043 0.082 1
1 557 . 2 1 1 A 66 66 LYS C C 44 177.953 178.205 -0.252 1
1 558 . 2 1 1 A 66 66 LYS CA C 44 57.730 58.961 -1.231 1
1 559 . 2 1 1 A 66 66 LYS CB C 44 31.890 32.120 -0.230 1
1 563 . 2 1 1 A 66 66 LYS N N 44 117.614 120.956 -3.342 1
1 564 . 2 1 1 A 67 67 ASP H H 45 7.394 7.192 0.202 1
1 565 . 2 1 1 A 67 67 ASP HA H 45 4.746 4.712 0.034 1
1 568 . 2 1 1 A 67 67 ASP C C 45 177.876 176.531 1.345 1
1 569 . 2 1 1 A 67 67 ASP CA C 45 54.350 55.406 -1.056 1
1 570 . 2 1 1 A 67 67 ASP CB C 45 42.090 42.296 -0.206 1
1 571 . 2 1 1 A 67 67 ASP N N 45 118.443 117.568 0.875 1
1 572 . 2 1 1 A 68 68 GLN H H 46 7.143 7.860 -0.717 1
1 573 . 2 1 1 A 68 68 GLN HA H 46 4.054 4.850 -0.796 1
1 578 . 2 1 1 A 68 68 GLN C C 46 177.515 175.543 1.972 1
1 579 . 2 1 1 A 68 68 GLN CA C 46 56.750 55.523 1.227 1
1 580 . 2 1 1 A 68 68 GLN CB C 46 31.150 30.197 0.953 1
1 582 . 2 1 1 A 68 68 GLN N N 46 120.205 116.797 3.408 1
1 583 . 2 1 1 A 69 69 ARG H H 47 8.269 8.376 -0.107 1
1 584 . 2 1 1 A 69 69 ARG HA H 47 4.334 4.901 -0.567 1
1 591 . 2 1 1 A 69 69 ARG C C 47 175.708 174.636 1.072 1
1 592 . 2 1 1 A 69 69 ARG CA C 47 55.010 54.026 0.984 1
1 593 . 2 1 1 A 69 69 ARG CB C 47 31.390 34.239 -2.849 1
1 596 . 2 1 1 A 69 69 ARG N N 47 124.781 123.290 1.491 1
1 597 . 2 1 1 A 70 70 LEU H H 48 8.254 7.992 0.262 1
1 598 . 2 1 1 A 70 70 LEU HA H 48 5.444 5.318 0.126 1
1 608 . 2 1 1 A 70 70 LEU C C 48 177.175 176.122 1.053 1
1 609 . 2 1 1 A 70 70 LEU CA C 48 52.810 53.445 -0.635 1
1 610 . 2 1 1 A 70 70 LEU CB C 48 45.100 44.008 1.092 1
1 614 . 2 1 1 A 70 70 LEU N N 48 122.071 121.575 0.496 1
1 615 . 2 1 1 A 71 71 VAL H H 49 9.251 8.860 0.391 1
1 616 . 2 1 1 A 71 71 VAL HA H 49 4.889 4.637 0.252 1
1 624 . 2 1 1 A 71 71 VAL C C 49 177.208 174.421 2.787 1
1 625 . 2 1 1 A 71 71 VAL CA C 49 60.570 61.692 -1.122 1
1 626 . 2 1 1 A 71 71 VAL CB C 49 34.580 33.742 0.838 1
1 629 . 2 1 1 A 71 71 VAL N N 49 122.797 122.268 0.529 1
1 630 . 2 1 1 A 72 72 TYR H H 50 8.684 8.947 -0.263 1
1 631 . 2 1 1 A 72 72 TYR HA H 50 5.155 4.926 0.229 1
1 638 . 2 1 1 A 72 72 TYR CA C 50 56.060 56.861 -0.801 1
1 639 . 2 1 1 A 72 72 TYR CB C 50 43.140 38.428 4.712 1
1 642 . 2 1 1 A 72 72 TYR N N 50 126.349 130.122 -3.773 1
1 643 . 2 1 1 A 73 73 SER HA H 51 3.673 4.004 -0.331 1
1 646 . 2 1 1 A 73 73 SER C C 51 177.153 174.291 2.862 1
1 647 . 2 1 1 A 73 73 SER CA C 51 58.000 59.141 -1.141 1
1 648 . 2 1 1 A 73 73 SER CB C 51 62.190 61.573 0.617 1
1 649 . 2 1 1 A 74 74 GLY H H 52 8.209 8.220 -0.011 1
1 650 . 2 1 1 A 74 74 GLY HA2 H 52 4.030 3.992 0.038 1
1 651 . 2 1 1 A 74 74 GLY HA3 H 52 3.346 4.012 -0.666 1
1 652 . 2 1 1 A 74 74 GLY C C 52 175.259 174.315 0.944 1
1 653 . 2 1 1 A 74 74 GLY CA C 52 44.990 45.187 -0.197 1
1 654 . 2 1 1 A 74 74 GLY N N 52 103.501 106.374 -2.873 1
1 655 . 2 1 1 A 75 75 ARG H H 53 7.816 7.938 -0.122 1
1 656 . 2 1 1 A 75 75 ARG HA H 53 4.555 4.457 0.098 1
1 663 . 2 1 1 A 75 75 ARG C C 53 176.321 175.768 0.553 1
1 664 . 2 1 1 A 75 75 ARG CA C 53 54.590 55.535 -0.945 1
1 665 . 2 1 1 A 75 75 ARG CB C 53 32.620 31.100 1.520 1
1 668 . 2 1 1 A 75 75 ARG N N 53 121.834 122.159 -0.325 1
1 669 . 2 1 1 A 76 76 LEU H H 54 8.470 8.625 -0.155 1
1 670 . 2 1 1 A 76 76 LEU HA H 54 4.500 4.447 0.053 1
1 680 . 2 1 1 A 76 76 LEU C C 54 179.639 175.015 4.624 1
1 681 . 2 1 1 A 76 76 LEU CA C 54 55.260 56.064 -0.804 1
1 682 . 2 1 1 A 76 76 LEU CB C 54 42.210 42.354 -0.144 1
1 686 . 2 1 1 A 76 76 LEU N N 54 127.239 129.049 -1.810 1
1 687 . 2 1 1 A 77 77 LEU H H 55 8.863 9.050 -0.187 1
1 688 . 2 1 1 A 77 77 LEU HA H 55 4.605 4.839 -0.234 1
1 698 . 2 1 1 A 77 77 LEU CA C 55 52.230 51.402 0.828 1
1 699 . 2 1 1 A 77 77 LEU CB C 55 43.090 42.390 0.700 1
1 703 . 2 1 1 A 77 77 LEU N N 55 127.741 129.082 -1.341 1
1 704 . 2 1 1 A 78 78 PRO HA H 56 4.708 4.629 0.079 1
1 711 . 2 1 1 A 78 78 PRO C C 56 179.519 176.970 2.549 1
1 712 . 2 1 1 A 78 78 PRO CA C 56 61.780 62.551 -0.771 1
1 713 . 2 1 1 A 78 78 PRO CB C 56 32.600 32.694 -0.094 1
1 716 . 2 1 1 A 79 79 ASP H H 57 8.109 8.711 -0.602 1
1 717 . 2 1 1 A 79 79 ASP HA H 57 4.122 4.135 -0.013 1
1 720 . 2 1 1 A 79 79 ASP C C 57 179.782 177.111 2.671 1
1 721 . 2 1 1 A 79 79 ASP CA C 57 57.380 55.925 1.455 1
1 722 . 2 1 1 A 79 79 ASP CB C 57 41.200 39.754 1.446 1
1 723 . 2 1 1 A 79 79 ASP N N 57 116.504 124.156 -7.652 1
1 724 . 2 1 1 A 80 80 HIS H H 58 7.815 7.582 0.233 1
1 725 . 2 1 1 A 80 80 HIS HA H 58 4.519 4.491 0.028 1
1 730 . 2 1 1 A 80 80 HIS C C 58 177.668 175.351 2.317 1
1 731 . 2 1 1 A 80 80 HIS CA C 58 57.110 57.774 -0.664 1
1 732 . 2 1 1 A 80 80 HIS CB C 58 30.770 29.479 1.291 1
1 735 . 2 1 1 A 80 80 HIS N N 58 112.239 115.022 -2.783 1
1 736 . 2 1 1 A 81 81 LEU H H 59 6.281 6.763 -0.482 1
1 737 . 2 1 1 A 81 81 LEU HA H 59 4.157 4.638 -0.481 1
1 747 . 2 1 1 A 81 81 LEU C C 59 178.501 176.775 1.726 1
1 748 . 2 1 1 A 81 81 LEU CA C 59 53.970 53.027 0.943 1
1 749 . 2 1 1 A 81 81 LEU CB C 59 43.360 44.153 -0.793 1
1 753 . 2 1 1 A 81 81 LEU N N 59 120.531 117.555 2.976 1
1 754 . 2 1 1 A 82 82 GLN H H 60 8.863 8.885 -0.022 1
1 755 . 2 1 1 A 82 82 GLN HA H 60 4.891 4.393 0.498 1
1 762 . 2 1 1 A 82 82 GLN C C 60 180.417 177.547 2.870 1
1 763 . 2 1 1 A 82 82 GLN CA C 60 54.880 55.525 -0.645 1
1 764 . 2 1 1 A 82 82 GLN CB C 60 31.480 29.211 2.269 1
1 766 . 2 1 1 A 82 82 GLN N N 60 118.014 119.758 -1.744 1
1 768 . 2 1 1 A 83 83 LEU H H 61 8.688 8.427 0.261 1
1 769 . 2 1 1 A 83 83 LEU HA H 61 3.705 3.901 -0.196 1
1 779 . 2 1 1 A 83 83 LEU C C 61 181.775 178.717 3.058 1
1 780 . 2 1 1 A 83 83 LEU CA C 61 58.510 58.079 0.431 1
1 781 . 2 1 1 A 83 83 LEU CB C 61 40.330 41.456 -1.126 1
1 785 . 2 1 1 A 83 83 LEU N N 61 121.910 123.925 -2.015 1
1 786 . 2 1 1 A 84 84 LYS H H 62 8.525 8.332 0.193 1
1 787 . 2 1 1 A 84 84 LYS HA H 62 3.972 4.075 -0.103 1
1 796 . 2 1 1 A 84 84 LYS C C 62 177.865 178.252 -0.387 1
1 797 . 2 1 1 A 84 84 LYS CA C 62 57.690 59.079 -1.389 1
1 798 . 2 1 1 A 84 84 LYS CB C 62 31.440 32.044 -0.604 1
1 802 . 2 1 1 A 84 84 LYS N N 62 115.896 117.632 -1.736 1
1 803 . 2 1 1 A 85 85 ASP H H 63 7.598 7.811 -0.213 1
1 804 . 2 1 1 A 85 85 ASP HA H 63 4.710 4.380 0.330 1
1 807 . 2 1 1 A 85 85 ASP C C 63 177.307 177.645 -0.338 1
1 808 . 2 1 1 A 85 85 ASP CA C 63 55.460 57.294 -1.834 1
1 809 . 2 1 1 A 85 85 ASP CB C 63 42.000 41.730 0.270 1
1 810 . 2 1 1 A 85 85 ASP N N 63 118.917 119.543 -0.626 1
1 811 . 2 1 1 A 86 86 ILE H H 64 7.417 7.253 0.164 1
1 812 . 2 1 1 A 86 86 ILE HA H 64 4.027 4.146 -0.119 1
1 822 . 2 1 1 A 86 86 ILE C C 64 177.055 176.895 0.160 1
1 823 . 2 1 1 A 86 86 ILE CA C 64 62.150 61.477 0.673 1
1 824 . 2 1 1 A 86 86 ILE CB C 64 42.670 38.896 3.774 1
1 828 . 2 1 1 A 86 86 ILE N N 64 117.599 116.893 0.706 1
1 829 . 2 1 1 A 87 87 LEU H H 65 7.399 7.381 0.018 1
1 830 . 2 1 1 A 87 87 LEU HA H 65 3.695 4.108 -0.413 1
1 840 . 2 1 1 A 87 87 LEU C C 65 179.409 177.445 1.964 1
1 841 . 2 1 1 A 87 87 LEU CA C 65 55.040 54.581 0.459 1
1 842 . 2 1 1 A 87 87 LEU CB C 65 40.910 41.855 -0.945 1
1 846 . 2 1 1 A 87 87 LEU N N 65 116.948 119.869 -2.921 1
1 847 . 2 1 1 A 88 88 ARG H H 66 7.954 7.532 0.422 1
1 848 . 2 1 1 A 88 88 ARG HA H 66 4.227 3.935 0.292 1
1 855 . 2 1 1 A 88 88 ARG C C 66 179.333 178.177 1.156 1
1 856 . 2 1 1 A 88 88 ARG CA C 66 56.960 59.204 -2.244 1
1 857 . 2 1 1 A 88 88 ARG CB C 66 30.570 29.839 0.731 1
1 860 . 2 1 1 A 88 88 ARG N N 66 122.752 121.189 1.563 1
1 861 . 2 1 1 A 89 89 LYS H H 67 8.374 8.176 0.198 1
1 862 . 2 1 1 A 89 89 LYS HA H 67 3.948 4.020 -0.072 1
1 871 . 2 1 1 A 89 89 LYS C C 67 179.278 178.300 0.978 1
1 872 . 2 1 1 A 89 89 LYS CA C 67 58.560 59.673 -1.113 1
1 873 . 2 1 1 A 89 89 LYS CB C 67 32.620 32.330 0.290 1
1 877 . 2 1 1 A 89 89 LYS N N 67 124.661 118.554 6.107 1
1 878 . 2 1 1 A 90 90 GLN H H 68 8.616 8.152 0.464 1
1 879 . 2 1 1 A 90 90 GLN HA H 68 4.169 4.381 -0.212 1
1 886 . 2 1 1 A 90 90 GLN C C 68 177.778 175.454 2.324 1
1 887 . 2 1 1 A 90 90 GLN CA C 68 56.670 56.977 -0.307 1
1 888 . 2 1 1 A 90 90 GLN CB C 68 28.230 30.566 -2.336 1
1 890 . 2 1 1 A 90 90 GLN N N 68 115.896 117.817 -1.921 1
1 892 . 2 1 1 A 91 91 ASP H H 69 7.319 8.082 -0.763 1
1 893 . 2 1 1 A 91 91 ASP HA H 69 4.523 4.762 -0.239 1
1 896 . 2 1 1 A 91 91 ASP C C 69 177.164 176.721 0.443 1
1 897 . 2 1 1 A 91 91 ASP CA C 69 54.440 56.096 -1.656 1
1 898 . 2 1 1 A 91 91 ASP CB C 69 41.200 40.490 0.710 1
1 899 . 2 1 1 A 91 91 ASP N N 69 121.181 119.239 1.942 1
1 900 . 2 1 1 A 92 92 GLU H H 70 8.320 8.166 0.154 1
1 901 . 2 1 1 A 92 92 GLU HA H 70 3.892 4.338 -0.446 1
1 906 . 2 1 1 A 92 92 GLU C C 70 177.657 175.482 2.175 1
1 907 . 2 1 1 A 92 92 GLU CA C 70 57.260 59.196 -1.936 1
1 908 . 2 1 1 A 92 92 GLU CB C 70 30.750 29.724 1.026 1
1 910 . 2 1 1 A 92 92 GLU N N 70 120.205 118.835 1.370 1
1 911 . 2 1 1 A 93 93 TYR H H 71 7.251 7.198 0.053 1
1 912 . 2 1 1 A 93 93 TYR HA H 71 4.550 5.250 -0.700 1
1 919 . 2 1 1 A 93 93 TYR C C 71 175.861 173.242 2.619 1
1 920 . 2 1 1 A 93 93 TYR CA C 71 55.550 56.509 -0.959 1
1 921 . 2 1 1 A 93 93 TYR CB C 71 39.680 40.726 -1.046 1
1 924 . 2 1 1 A 93 93 TYR N N 71 115.349 113.270 2.079 1
1 925 . 2 1 1 A 94 94 HIS H H 72 7.991 8.762 -0.771 1
1 926 . 2 1 1 A 94 94 HIS HA H 72 5.034 5.139 -0.105 1
1 930 . 2 1 1 A 94 94 HIS C C 72 176.157 175.028 1.129 1
1 931 . 2 1 1 A 94 94 HIS CA C 72 54.990 54.649 0.341 1
1 932 . 2 1 1 A 94 94 HIS CB C 72 33.910 33.464 0.446 1
1 934 . 2 1 1 A 94 94 HIS N N 72 120.146 118.708 1.438 1
1 935 . 2 1 1 A 95 95 MET H H 73 9.227 9.113 0.114 1
1 936 . 2 1 1 A 95 95 MET HA H 73 5.306 5.189 0.117 1
1 941 . 2 1 1 A 95 95 MET C C 73 176.891 175.964 0.927 1
1 942 . 2 1 1 A 95 95 MET CA C 73 54.500 54.493 0.007 1
1 943 . 2 1 1 A 95 95 MET CB C 73 33.690 33.975 -0.285 1
1 945 . 2 1 1 A 95 95 MET N N 73 124.691 123.021 1.670 1
1 946 . 2 1 1 A 96 96 VAL H H 74 9.070 8.981 0.089 1
1 947 . 2 1 1 A 96 96 VAL HA H 74 4.719 4.969 -0.250 1
1 955 . 2 1 1 A 96 96 VAL C C 74 175.653 174.566 1.087 1
1 956 . 2 1 1 A 96 96 VAL CA C 74 60.790 60.654 0.136 1
1 957 . 2 1 1 A 96 96 VAL CB C 74 35.290 36.220 -0.930 1
1 960 . 2 1 1 A 96 96 VAL N N 74 125.298 121.749 3.549 1
1 961 . 2 1 1 A 97 97 HIS H H 75 9.197 9.235 -0.038 1
1 962 . 2 1 1 A 97 97 HIS HA H 75 5.213 5.345 -0.132 1
1 966 . 2 1 1 A 97 97 HIS C C 75 176.245 174.405 1.840 1
1 967 . 2 1 1 A 97 97 HIS CA C 75 55.800 55.114 0.686 1
1 968 . 2 1 1 A 97 97 HIS CB C 75 32.170 31.046 1.124 1
1 970 . 2 1 1 A 97 97 HIS N N 75 125.299 124.938 0.361 1
1 971 . 2 1 1 A 98 98 LEU H H 76 8.423 8.942 -0.519 1
1 972 . 2 1 1 A 98 98 LEU HA H 76 5.059 4.699 0.360 1
1 982 . 2 1 1 A 98 98 LEU C C 76 177.592 175.771 1.821 1
1 983 . 2 1 1 A 98 98 LEU CA C 76 54.150 53.960 0.190 1
1 984 . 2 1 1 A 98 98 LEU CB C 76 43.540 42.896 0.644 1
1 988 . 2 1 1 A 98 98 LEU N N 76 126.291 126.055 0.236 1
1 13 . 3 1 1 A 24 24 VAL H H 2 8.008 8.204 -0.196 1
1 14 . 3 1 1 A 24 24 VAL HA H 2 4.297 4.093 0.204 1
1 22 . 3 1 1 A 24 24 VAL C C 2 175.571 175.935 -0.364 1
1 23 . 3 1 1 A 24 24 VAL CA C 2 60.030 62.239 -2.209 1
1 24 . 3 1 1 A 24 24 VAL CB C 2 34.710 31.491 3.219 1
1 27 . 3 1 1 A 24 24 VAL N N 2 118.399 121.207 -2.808 1
1 28 . 3 1 1 A 25 25 THR H H 3 8.520 8.692 -0.172 1
1 29 . 3 1 1 A 25 25 THR HA H 3 4.738 4.532 0.206 1
1 34 . 3 1 1 A 25 25 THR C C 3 175.275 173.159 2.116 1
1 35 . 3 1 1 A 25 25 THR CA C 3 62.350 62.833 -0.483 1
1 36 . 3 1 1 A 25 25 THR CB C 3 69.930 68.255 1.675 1
1 38 . 3 1 1 A 25 25 THR N N 3 121.522 122.917 -1.395 1
1 39 . 3 1 1 A 26 26 LEU H H 4 8.929 9.165 -0.236 1
1 40 . 3 1 1 A 26 26 LEU HA H 4 5.102 4.874 0.228 1
1 50 . 3 1 1 A 26 26 LEU C C 4 176.809 174.833 1.976 1
1 51 . 3 1 1 A 26 26 LEU CA C 4 52.850 54.099 -1.249 1
1 52 . 3 1 1 A 26 26 LEU CB C 4 45.140 43.568 1.572 1
1 56 . 3 1 1 A 26 26 LEU N N 4 127.076 129.045 -1.969 1
1 57 . 3 1 1 A 27 27 ILE H H 5 8.990 8.870 0.120 1
1 58 . 3 1 1 A 27 27 ILE HA H 5 4.682 4.531 0.151 1
1 68 . 3 1 1 A 27 27 ILE C C 5 176.962 175.355 1.607 1
1 69 . 3 1 1 A 27 27 ILE CA C 5 59.810 60.940 -1.130 1
1 70 . 3 1 1 A 27 27 ILE CB C 5 38.590 36.681 1.909 1
1 74 . 3 1 1 A 27 27 ILE N N 5 122.974 128.185 -5.211 1
1 75 . 3 1 1 A 28 28 ILE H H 6 9.288 8.857 0.431 1
1 76 . 3 1 1 A 28 28 ILE HA H 6 5.025 4.588 0.437 1
1 86 . 3 1 1 A 28 28 ILE C C 6 178.889 175.491 3.398 1
1 87 . 3 1 1 A 28 28 ILE CA C 6 57.620 60.826 -3.206 1
1 88 . 3 1 1 A 28 28 ILE CB C 6 36.680 37.135 -0.455 1
1 92 . 3 1 1 A 28 28 ILE N N 6 125.520 129.152 -3.632 1
1 93 . 3 1 1 A 29 29 LYS H H 7 8.832 8.857 -0.025 1
1 94 . 3 1 1 A 29 29 LYS HA H 7 4.597 4.770 -0.173 1
1 103 . 3 1 1 A 29 29 LYS C C 7 176.414 176.398 0.016 1
1 104 . 3 1 1 A 29 29 LYS CA C 7 54.240 55.099 -0.859 1
1 105 . 3 1 1 A 29 29 LYS CB C 7 34.050 34.359 -0.309 1
1 109 . 3 1 1 A 29 29 LYS N N 7 130.704 127.606 3.098 1
1 110 . 3 1 1 A 30 30 ALA H H 8 9.021 8.296 0.725 1
1 111 . 3 1 1 A 30 30 ALA HA H 8 5.221 4.629 0.592 1
1 115 . 3 1 1 A 30 30 ALA CA C 8 49.220 50.975 -1.755 1
1 116 . 3 1 1 A 30 30 ALA CB C 8 20.620 18.003 2.617 1
1 117 . 3 1 1 A 30 30 ALA N N 8 126.869 127.323 -0.454 1
1 118 . 3 1 1 A 31 31 PRO HA H 9 4.445 4.333 0.112 1
1 125 . 3 1 1 A 31 31 PRO CA C 9 63.990 64.919 -0.929 1
1 126 . 3 1 1 A 31 31 PRO CB C 9 31.860 31.720 0.140 1
1 129 . 3 1 1 A 32 32 ASN HA H 10 4.531 4.974 -0.443 1
1 134 . 3 1 1 A 32 32 ASN C C 10 176.666 175.012 1.654 1
1 135 . 3 1 1 A 32 32 ASN CA C 10 53.210 52.169 1.041 1
1 136 . 3 1 1 A 32 32 ASN CB C 10 38.150 38.485 -0.335 1
1 138 . 3 1 1 A 33 33 GLN H H 11 8.123 7.916 0.207 1
1 139 . 3 1 1 A 33 33 GLN N N 11 114.038 118.385 -4.347 1
1 140 . 3 1 1 A 34 34 LYS HA H 12 3.817 3.926 -0.109 1
1 149 . 3 1 1 A 34 34 LYS C C 12 178.002 175.685 2.317 1
1 150 . 3 1 1 A 34 34 LYS CA C 12 58.290 59.040 -0.750 1
1 151 . 3 1 1 A 34 34 LYS CB C 12 32.570 32.224 0.346 1
1 155 . 3 1 1 A 35 35 TYR H H 13 6.845 8.359 -1.514 1
1 156 . 3 1 1 A 35 35 TYR HA H 13 4.654 4.972 -0.318 1
1 163 . 3 1 1 A 35 35 TYR CA C 13 56.060 57.421 -1.361 1
1 164 . 3 1 1 A 35 35 TYR CB C 13 41.000 40.314 0.686 1
1 167 . 3 1 1 A 35 35 TYR N N 13 112.988 116.680 -3.692 1
1 168 . 3 1 1 A 36 36 SER HA H 14 4.376 4.693 -0.317 1
1 171 . 3 1 1 A 36 36 SER C C 14 177.170 173.690 3.480 1
1 172 . 3 1 1 A 36 36 SER CA C 14 58.160 58.764 -0.604 1
1 173 . 3 1 1 A 36 36 SER CB C 14 64.000 63.507 0.493 1
1 174 . 3 1 1 A 37 37 ASP H H 15 8.910 8.589 0.321 1
1 175 . 3 1 1 A 37 37 ASP HA H 15 4.622 4.892 -0.270 1
1 178 . 3 1 1 A 37 37 ASP C C 15 178.221 175.929 2.292 1
1 179 . 3 1 1 A 37 37 ASP CA C 15 55.680 54.394 1.286 1
1 180 . 3 1 1 A 37 37 ASP CB C 15 39.640 40.559 -0.919 1
1 181 . 3 1 1 A 37 37 ASP N N 15 125.921 124.223 1.698 1
1 182 . 3 1 1 A 38 38 GLN H H 16 8.224 8.654 -0.430 1
1 183 . 3 1 1 A 38 38 GLN HA H 16 4.653 4.639 0.014 1
1 190 . 3 1 1 A 38 38 GLN C C 16 176.655 175.757 0.898 1
1 191 . 3 1 1 A 38 38 GLN CA C 16 53.230 55.758 -2.528 1
1 192 . 3 1 1 A 38 38 GLN CB C 16 31.390 29.418 1.972 1
1 194 . 3 1 1 A 38 38 GLN N N 16 121.123 124.758 -3.635 1
1 196 . 3 1 1 A 39 39 THR H H 17 8.733 8.618 0.115 1
1 197 . 3 1 1 A 39 39 THR HA H 17 4.936 4.626 0.310 1
1 202 . 3 1 1 A 39 39 THR C C 17 176.173 173.912 2.261 1
1 203 . 3 1 1 A 39 39 THR CA C 17 62.170 61.370 0.800 1
1 204 . 3 1 1 A 39 39 THR CB C 17 69.300 68.525 0.775 1
1 206 . 3 1 1 A 39 39 THR N N 17 120.324 116.848 3.476 1
1 207 . 3 1 1 A 40 40 ILE H H 18 9.424 8.726 0.698 1
1 208 . 3 1 1 A 40 40 ILE HA H 18 4.592 4.657 -0.065 1
1 218 . 3 1 1 A 40 40 ILE C C 18 176.184 175.599 0.585 1
1 219 . 3 1 1 A 40 40 ILE CA C 18 58.200 60.262 -2.062 1
1 220 . 3 1 1 A 40 40 ILE CB C 18 41.130 40.030 1.100 1
1 224 . 3 1 1 A 40 40 ILE N N 18 126.321 128.046 -1.725 1
1 225 . 3 1 1 A 41 41 SER H H 19 8.518 8.714 -0.196 1
1 226 . 3 1 1 A 41 41 SER HA H 19 4.939 4.759 0.180 1
1 229 . 3 1 1 A 41 41 SER C C 19 175.210 174.495 0.715 1
1 230 . 3 1 1 A 41 41 SER CA C 19 57.160 58.025 -0.865 1
1 231 . 3 1 1 A 41 41 SER CB C 19 63.660 63.879 -0.219 1
1 232 . 3 1 1 A 41 41 SER N N 19 120.959 121.937 -0.978 1
1 233 . 3 1 1 A 42 42 CYS H H 20 8.444 8.867 -0.423 1
1 234 . 3 1 1 A 42 42 CYS HA H 20 3.546 5.365 -1.819 1
1 237 . 3 1 1 A 42 42 CYS CA C 20 55.410 56.593 -1.183 1
1 238 . 3 1 1 A 42 42 CYS CB C 20 28.570 32.041 -3.471 1
1 239 . 3 1 1 A 42 42 CYS N N 20 120.248 121.719 -1.471 1
1 240 . 3 1 1 A 43 43 PHE HA H 21 4.580 4.989 -0.409 1
1 248 . 3 1 1 A 43 43 PHE C C 21 177.980 176.041 1.939 1
1 249 . 3 1 1 A 43 43 PHE CA C 21 56.490 55.935 0.555 1
1 250 . 3 1 1 A 43 43 PHE CB C 21 42.360 41.452 0.908 1
1 254 . 3 1 1 A 44 44 LEU H H 22 9.159 8.709 0.450 1
1 255 . 3 1 1 A 44 44 LEU HA H 22 3.779 4.125 -0.346 1
1 265 . 3 1 1 A 44 44 LEU C C 22 178.177 178.771 -0.594 1
1 266 . 3 1 1 A 44 44 LEU CA C 22 56.980 57.199 -0.219 1
1 267 . 3 1 1 A 44 44 LEU CB C 22 42.090 41.398 0.692 1
1 271 . 3 1 1 A 44 44 LEU N N 22 120.130 125.389 -5.259 1
1 272 . 3 1 1 A 45 45 ASN H H 23 8.058 8.163 -0.105 1
1 273 . 3 1 1 A 45 45 ASN HA H 23 4.650 4.274 0.376 1
1 276 . 3 1 1 A 45 45 ASN C C 23 178.364 175.404 2.960 1
1 277 . 3 1 1 A 45 45 ASN CA C 23 52.880 56.167 -3.287 1
1 278 . 3 1 1 A 45 45 ASN CB C 23 37.320 38.927 -1.607 1
1 279 . 3 1 1 A 45 45 ASN N N 23 112.017 116.790 -4.773 1
1 280 . 3 1 1 A 46 46 TRP H H 24 7.857 7.289 0.568 1
1 281 . 3 1 1 A 46 46 TRP HA H 24 4.712 4.840 -0.128 1
1 290 . 3 1 1 A 46 46 TRP C C 24 178.802 176.432 2.370 1
1 291 . 3 1 1 A 46 46 TRP CA C 24 57.240 57.467 -0.227 1
1 292 . 3 1 1 A 46 46 TRP CB C 24 29.250 31.055 -1.805 1
1 298 . 3 1 1 A 46 46 TRP N N 24 121.301 117.881 3.420 1
1 300 . 3 1 1 A 47 47 THR H H 25 7.473 9.036 -1.563 1
1 301 . 3 1 1 A 47 47 THR HA H 25 5.097 4.763 0.334 1
1 306 . 3 1 1 A 47 47 THR C C 25 178.375 176.228 2.147 1
1 307 . 3 1 1 A 47 47 THR CA C 25 59.940 60.467 -0.527 1
1 308 . 3 1 1 A 47 47 THR CB C 25 71.080 71.629 -0.549 1
1 310 . 3 1 1 A 47 47 THR N N 25 109.055 114.147 -5.092 1
1 311 . 3 1 1 A 48 48 VAL H H 26 8.349 8.347 0.002 1
1 312 . 3 1 1 A 48 48 VAL HA H 26 3.433 3.490 -0.057 1
1 320 . 3 1 1 A 48 48 VAL C C 26 180.548 178.299 2.249 1
1 321 . 3 1 1 A 48 48 VAL CA C 26 66.460 66.659 -0.199 1
1 322 . 3 1 1 A 48 48 VAL CB C 26 31.540 31.500 0.040 1
1 325 . 3 1 1 A 48 48 VAL N N 26 123.048 122.085 0.963 1
1 326 . 3 1 1 A 49 49 GLY H H 27 9.099 8.425 0.674 1
1 327 . 3 1 1 A 49 49 GLY HA2 H 27 3.895 3.720 0.175 1
1 328 . 3 1 1 A 49 49 GLY HA3 H 27 3.512 3.724 -0.212 1
1 329 . 3 1 1 A 49 49 GLY C C 27 177.909 175.683 2.226 1
1 330 . 3 1 1 A 49 49 GLY CA C 27 47.100 46.999 0.101 1
1 331 . 3 1 1 A 49 49 GLY N N 27 107.086 107.541 -0.455 1
1 332 . 3 1 1 A 50 50 LYS H H 28 7.937 7.913 0.024 1
1 333 . 3 1 1 A 50 50 LYS HA H 28 3.907 3.926 -0.019 1
1 342 . 3 1 1 A 50 50 LYS C C 28 180.866 179.182 1.684 1
1 343 . 3 1 1 A 50 50 LYS CA C 28 59.000 59.338 -0.338 1
1 344 . 3 1 1 A 50 50 LYS CB C 28 31.730 32.574 -0.844 1
1 348 . 3 1 1 A 50 50 LYS N N 28 125.227 122.112 3.115 1
1 349 . 3 1 1 A 51 51 LEU H H 29 8.364 8.048 0.316 1
1 350 . 3 1 1 A 51 51 LEU HA H 29 4.357 4.115 0.242 1
1 360 . 3 1 1 A 51 51 LEU C C 29 180.056 178.432 1.624 1
1 361 . 3 1 1 A 51 51 LEU CA C 29 58.360 57.361 0.999 1
1 362 . 3 1 1 A 51 51 LEU CB C 29 41.510 41.711 -0.201 1
1 366 . 3 1 1 A 51 51 LEU N N 29 122.366 120.942 1.424 1
1 367 . 3 1 1 A 52 52 LYS H H 30 8.711 8.105 0.606 1
1 368 . 3 1 1 A 52 52 LYS HA H 30 4.542 3.980 0.562 1
1 377 . 3 1 1 A 52 52 LYS C C 30 182.257 178.990 3.267 1
1 378 . 3 1 1 A 52 52 LYS CA C 30 59.310 59.676 -0.366 1
1 379 . 3 1 1 A 52 52 LYS CB C 30 33.380 32.087 1.293 1
1 383 . 3 1 1 A 52 52 LYS N N 30 119.050 120.736 -1.686 1
1 384 . 3 1 1 A 53 53 THR H H 31 8.130 7.724 0.406 1
1 385 . 3 1 1 A 53 53 THR HA H 31 3.655 3.931 -0.276 1
1 390 . 3 1 1 A 53 53 THR C C 31 179.092 176.153 2.939 1
1 391 . 3 1 1 A 53 53 THR CA C 31 66.890 66.740 0.150 1
1 392 . 3 1 1 A 53 53 THR CB C 31 68.370 68.307 0.063 1
1 394 . 3 1 1 A 53 53 THR N N 31 118.206 117.330 0.876 1
1 395 . 3 1 1 A 54 54 HIS H H 32 8.310 7.512 0.798 1
1 396 . 3 1 1 A 54 54 HIS HA H 32 4.566 4.160 0.406 1
1 400 . 3 1 1 A 54 54 HIS C C 32 180.735 177.250 3.485 1
1 401 . 3 1 1 A 54 54 HIS CA C 32 60.010 60.122 -0.112 1
1 402 . 3 1 1 A 54 54 HIS CB C 32 31.620 29.460 2.160 1
1 404 . 3 1 1 A 54 54 HIS N N 32 124.425 122.823 1.602 1
1 405 . 3 1 1 A 55 55 LEU H H 33 9.036 8.374 0.662 1
1 406 . 3 1 1 A 55 55 LEU HA H 33 3.958 3.969 -0.011 1
1 416 . 3 1 1 A 55 55 LEU C C 33 180.877 178.968 1.909 1
1 417 . 3 1 1 A 55 55 LEU CA C 33 58.180 57.851 0.329 1
1 418 . 3 1 1 A 55 55 LEU CB C 33 40.710 42.023 -1.313 1
1 422 . 3 1 1 A 55 55 LEU N N 33 119.746 120.703 -0.957 1
1 423 . 3 1 1 A 56 56 SER H H 34 8.266 7.973 0.293 1
1 424 . 3 1 1 A 56 56 SER HA H 34 4.159 4.106 0.053 1
1 427 . 3 1 1 A 56 56 SER C C 34 176.015 176.789 -0.774 1
1 428 . 3 1 1 A 56 56 SER CA C 34 61.590 61.075 0.515 1
1 429 . 3 1 1 A 56 56 SER CB C 34 63.600 63.236 0.364 1
1 430 . 3 1 1 A 56 56 SER N N 34 114.534 113.532 1.002 1
1 431 . 3 1 1 A 57 57 ASN H H 35 7.273 7.494 -0.221 1
1 432 . 3 1 1 A 57 57 ASN HA H 35 4.799 4.553 0.246 1
1 437 . 3 1 1 A 57 57 ASN C C 35 179.004 177.915 1.089 1
1 438 . 3 1 1 A 57 57 ASN CA C 35 54.520 55.866 -1.346 1
1 439 . 3 1 1 A 57 57 ASN CB C 35 40.890 38.984 1.906 1
1 440 . 3 1 1 A 57 57 ASN N N 35 115.349 119.485 -4.136 1
1 442 . 3 1 1 A 58 58 VAL H H 36 7.810 7.250 0.560 1
1 443 . 3 1 1 A 58 58 VAL HA H 36 4.309 4.018 0.291 1
1 451 . 3 1 1 A 58 58 VAL C C 36 178.446 175.736 2.710 1
1 452 . 3 1 1 A 58 58 VAL CA C 36 62.350 64.712 -2.362 1
1 453 . 3 1 1 A 58 58 VAL CB C 36 32.980 31.252 1.728 1
1 456 . 3 1 1 A 58 58 VAL N N 36 110.874 114.058 -3.184 1
1 457 . 3 1 1 A 59 59 TYR H H 37 8.896 7.797 1.099 1
1 458 . 3 1 1 A 59 59 TYR HA H 37 4.482 4.623 -0.141 1
1 465 . 3 1 1 A 59 59 TYR CA C 37 57.740 57.229 0.511 1
1 466 . 3 1 1 A 59 59 TYR CB C 37 40.440 39.755 0.685 1
1 469 . 3 1 1 A 59 59 TYR N N 37 127.773 124.933 2.840 1
1 470 . 3 1 1 A 60 60 PRO HA H 38 3.956 4.319 -0.363 1
1 477 . 3 1 1 A 60 60 PRO C C 38 178.511 177.989 0.522 1
1 478 . 3 1 1 A 60 60 PRO CA C 38 65.560 65.282 0.278 1
1 479 . 3 1 1 A 60 60 PRO CB C 38 31.860 31.806 0.054 1
1 482 . 3 1 1 A 61 61 SER H H 39 6.571 7.980 -1.409 1
1 483 . 3 1 1 A 61 61 SER HA H 39 4.238 4.450 -0.212 1
1 486 . 3 1 1 A 61 61 SER C C 39 175.774 174.104 1.670 1
1 487 . 3 1 1 A 61 61 SER CA C 39 58.290 60.828 -2.538 1
1 488 . 3 1 1 A 61 61 SER CB C 39 63.420 63.842 -0.422 1
1 489 . 3 1 1 A 61 61 SER N N 39 108.382 111.991 -3.609 1
1 490 . 3 1 1 A 62 62 LYS H H 40 8.384 8.062 0.322 1
1 491 . 3 1 1 A 62 62 LYS HA H 40 3.922 4.161 -0.239 1
1 500 . 3 1 1 A 62 62 LYS CA C 40 56.710 56.557 0.153 1
1 501 . 3 1 1 A 62 62 LYS CB C 40 30.640 30.857 -0.217 1
1 505 . 3 1 1 A 62 62 LYS N N 40 118.443 119.219 -0.776 1
1 506 . 3 1 1 A 63 63 PRO HA H 41 4.284 4.545 -0.261 1
1 513 . 3 1 1 A 63 63 PRO C C 41 179.464 175.950 3.514 1
1 514 . 3 1 1 A 63 63 PRO CA C 41 62.620 62.261 0.359 1
1 515 . 3 1 1 A 63 63 PRO CB C 41 31.640 32.578 -0.938 1
1 518 . 3 1 1 A 64 64 LEU H H 42 8.689 8.446 0.243 1
1 519 . 3 1 1 A 64 64 LEU HA H 42 4.212 4.384 -0.172 1
1 529 . 3 1 1 A 64 64 LEU C C 42 182.476 178.517 3.959 1
1 530 . 3 1 1 A 64 64 LEU CA C 42 54.750 54.248 0.502 1
1 531 . 3 1 1 A 64 64 LEU CB C 42 41.360 41.073 0.287 1
1 535 . 3 1 1 A 64 64 LEU N N 42 122.677 121.743 0.934 1
1 536 . 3 1 1 A 65 65 THR H H 43 8.858 8.750 0.108 1
1 537 . 3 1 1 A 65 65 THR HA H 43 3.779 4.064 -0.285 1
1 542 . 3 1 1 A 65 65 THR C C 43 180.078 175.609 4.469 1
1 543 . 3 1 1 A 65 65 THR CA C 43 66.310 65.136 1.174 1
1 544 . 3 1 1 A 65 65 THR CB C 43 68.100 68.523 -0.423 1
1 546 . 3 1 1 A 65 65 THR N N 43 116.000 118.303 -2.303 1
1 547 . 3 1 1 A 66 66 LYS H H 44 7.921 8.857 -0.936 1
1 548 . 3 1 1 A 66 66 LYS HA H 44 4.125 4.085 0.040 1
1 557 . 3 1 1 A 66 66 LYS C C 44 177.953 178.088 -0.135 1
1 558 . 3 1 1 A 66 66 LYS CA C 44 57.730 58.638 -0.908 1
1 559 . 3 1 1 A 66 66 LYS CB C 44 31.890 31.436 0.454 1
1 563 . 3 1 1 A 66 66 LYS N N 44 117.614 122.396 -4.782 1
1 564 . 3 1 1 A 67 67 ASP H H 45 7.394 7.473 -0.079 1
1 565 . 3 1 1 A 67 67 ASP HA H 45 4.746 4.715 0.031 1
1 568 . 3 1 1 A 67 67 ASP C C 45 177.876 176.912 0.964 1
1 569 . 3 1 1 A 67 67 ASP CA C 45 54.350 55.227 -0.877 1
1 570 . 3 1 1 A 67 67 ASP CB C 45 42.090 42.337 -0.247 1
1 571 . 3 1 1 A 67 67 ASP N N 45 118.443 118.079 0.364 1
1 572 . 3 1 1 A 68 68 GLN H H 46 7.143 7.636 -0.493 1
1 573 . 3 1 1 A 68 68 GLN HA H 46 4.054 4.449 -0.395 1
1 578 . 3 1 1 A 68 68 GLN C C 46 177.515 175.145 2.370 1
1 579 . 3 1 1 A 68 68 GLN CA C 46 56.750 54.840 1.910 1
1 580 . 3 1 1 A 68 68 GLN CB C 46 31.150 27.242 3.908 1
1 582 . 3 1 1 A 68 68 GLN N N 46 120.205 116.981 3.224 1
1 583 . 3 1 1 A 69 69 ARG H H 47 8.269 8.310 -0.041 1
1 584 . 3 1 1 A 69 69 ARG HA H 47 4.334 4.704 -0.370 1
1 591 . 3 1 1 A 69 69 ARG C C 47 175.708 175.379 0.329 1
1 592 . 3 1 1 A 69 69 ARG CA C 47 55.010 55.148 -0.138 1
1 593 . 3 1 1 A 69 69 ARG CB C 47 31.390 31.683 -0.293 1
1 596 . 3 1 1 A 69 69 ARG N N 47 124.781 126.097 -1.316 1
1 597 . 3 1 1 A 70 70 LEU H H 48 8.254 8.521 -0.267 1
1 598 . 3 1 1 A 70 70 LEU HA H 48 5.444 5.372 0.072 1
1 608 . 3 1 1 A 70 70 LEU C C 48 177.175 176.111 1.064 1
1 609 . 3 1 1 A 70 70 LEU CA C 48 52.810 53.538 -0.728 1
1 610 . 3 1 1 A 70 70 LEU CB C 48 45.100 43.291 1.809 1
1 614 . 3 1 1 A 70 70 LEU N N 48 122.071 124.814 -2.743 1
1 615 . 3 1 1 A 71 71 VAL H H 49 9.251 9.191 0.060 1
1 616 . 3 1 1 A 71 71 VAL HA H 49 4.889 4.937 -0.048 1
1 624 . 3 1 1 A 71 71 VAL C C 49 177.208 174.491 2.717 1
1 625 . 3 1 1 A 71 71 VAL CA C 49 60.570 61.593 -1.023 1
1 626 . 3 1 1 A 71 71 VAL CB C 49 34.580 34.088 0.492 1
1 629 . 3 1 1 A 71 71 VAL N N 49 122.797 123.346 -0.549 1
1 630 . 3 1 1 A 72 72 TYR H H 50 8.684 8.779 -0.095 1
1 631 . 3 1 1 A 72 72 TYR HA H 50 5.155 4.851 0.304 1
1 638 . 3 1 1 A 72 72 TYR CA C 50 56.060 57.045 -0.985 1
1 639 . 3 1 1 A 72 72 TYR CB C 50 43.140 38.928 4.212 1
1 642 . 3 1 1 A 72 72 TYR N N 50 126.349 130.051 -3.702 1
1 643 . 3 1 1 A 73 73 SER HA H 51 3.673 4.241 -0.568 1
1 646 . 3 1 1 A 73 73 SER C C 51 177.153 174.484 2.669 1
1 647 . 3 1 1 A 73 73 SER CA C 51 58.000 59.298 -1.298 1
1 648 . 3 1 1 A 73 73 SER CB C 51 62.190 61.649 0.541 1
1 649 . 3 1 1 A 74 74 GLY H H 52 8.209 8.446 -0.237 1
1 650 . 3 1 1 A 74 74 GLY HA2 H 52 4.030 4.115 -0.085 1
1 651 . 3 1 1 A 74 74 GLY HA3 H 52 3.346 4.122 -0.776 1
1 652 . 3 1 1 A 74 74 GLY C C 52 175.259 174.359 0.900 1
1 653 . 3 1 1 A 74 74 GLY CA C 52 44.990 45.321 -0.331 1
1 654 . 3 1 1 A 74 74 GLY N N 52 103.501 106.188 -2.687 1
1 655 . 3 1 1 A 75 75 ARG H H 53 7.816 7.766 0.050 1
1 656 . 3 1 1 A 75 75 ARG HA H 53 4.555 4.517 0.038 1
1 663 . 3 1 1 A 75 75 ARG C C 53 176.321 175.239 1.082 1
1 664 . 3 1 1 A 75 75 ARG CA C 53 54.590 55.785 -1.195 1
1 665 . 3 1 1 A 75 75 ARG CB C 53 32.620 31.480 1.140 1
1 668 . 3 1 1 A 75 75 ARG N N 53 121.834 119.868 1.966 1
1 669 . 3 1 1 A 76 76 LEU H H 54 8.470 8.451 0.019 1
1 670 . 3 1 1 A 76 76 LEU HA H 54 4.500 4.745 -0.245 1
1 680 . 3 1 1 A 76 76 LEU C C 54 179.639 174.907 4.732 1
1 681 . 3 1 1 A 76 76 LEU CA C 54 55.260 54.900 0.360 1
1 682 . 3 1 1 A 76 76 LEU CB C 54 42.210 43.810 -1.600 1
1 686 . 3 1 1 A 76 76 LEU N N 54 127.239 124.715 2.524 1
1 687 . 3 1 1 A 77 77 LEU H H 55 8.863 8.874 -0.011 1
1 688 . 3 1 1 A 77 77 LEU HA H 55 4.605 4.827 -0.222 1
1 698 . 3 1 1 A 77 77 LEU CA C 55 52.230 51.359 0.871 1
1 699 . 3 1 1 A 77 77 LEU CB C 55 43.090 42.579 0.511 1
1 703 . 3 1 1 A 77 77 LEU N N 55 127.741 128.311 -0.570 1
1 704 . 3 1 1 A 78 78 PRO HA H 56 4.708 4.666 0.042 1
1 711 . 3 1 1 A 78 78 PRO C C 56 179.519 176.583 2.936 1
1 712 . 3 1 1 A 78 78 PRO CA C 56 61.780 62.396 -0.616 1
1 713 . 3 1 1 A 78 78 PRO CB C 56 32.600 32.617 -0.017 1
1 716 . 3 1 1 A 79 79 ASP H H 57 8.109 8.727 -0.618 1
1 717 . 3 1 1 A 79 79 ASP HA H 57 4.122 4.617 -0.495 1
1 720 . 3 1 1 A 79 79 ASP C C 57 179.782 177.505 2.277 1
1 721 . 3 1 1 A 79 79 ASP CA C 57 57.380 55.068 2.312 1
1 722 . 3 1 1 A 79 79 ASP CB C 57 41.200 41.197 0.003 1
1 723 . 3 1 1 A 79 79 ASP N N 57 116.504 122.178 -5.674 1
1 724 . 3 1 1 A 80 80 HIS H H 58 7.815 7.597 0.218 1
1 725 . 3 1 1 A 80 80 HIS HA H 58 4.519 4.484 0.035 1
1 730 . 3 1 1 A 80 80 HIS C C 58 177.668 175.450 2.218 1
1 731 . 3 1 1 A 80 80 HIS CA C 58 57.110 57.569 -0.459 1
1 732 . 3 1 1 A 80 80 HIS CB C 58 30.770 29.818 0.952 1
1 735 . 3 1 1 A 80 80 HIS N N 58 112.239 115.976 -3.737 1
1 736 . 3 1 1 A 81 81 LEU H H 59 6.281 7.168 -0.887 1
1 737 . 3 1 1 A 81 81 LEU HA H 59 4.157 4.516 -0.359 1
1 747 . 3 1 1 A 81 81 LEU C C 59 178.501 176.831 1.670 1
1 748 . 3 1 1 A 81 81 LEU CA C 59 53.970 53.358 0.612 1
1 749 . 3 1 1 A 81 81 LEU CB C 59 43.360 43.440 -0.080 1
1 753 . 3 1 1 A 81 81 LEU N N 59 120.531 117.744 2.787 1
1 754 . 3 1 1 A 82 82 GLN H H 60 8.863 8.890 -0.027 1
1 755 . 3 1 1 A 82 82 GLN HA H 60 4.891 4.469 0.422 1
1 762 . 3 1 1 A 82 82 GLN C C 60 180.417 177.783 2.634 1
1 763 . 3 1 1 A 82 82 GLN CA C 60 54.880 55.665 -0.785 1
1 764 . 3 1 1 A 82 82 GLN CB C 60 31.480 29.555 1.925 1
1 766 . 3 1 1 A 82 82 GLN N N 60 118.014 120.384 -2.370 1
1 768 . 3 1 1 A 83 83 LEU H H 61 8.688 8.779 -0.091 1
1 769 . 3 1 1 A 83 83 LEU HA H 61 3.705 3.979 -0.274 1
1 779 . 3 1 1 A 83 83 LEU C C 61 181.775 178.730 3.045 1
1 780 . 3 1 1 A 83 83 LEU CA C 61 58.510 57.981 0.529 1
1 781 . 3 1 1 A 83 83 LEU CB C 61 40.330 41.343 -1.013 1
1 785 . 3 1 1 A 83 83 LEU N N 61 121.910 124.333 -2.423 1
1 786 . 3 1 1 A 84 84 LYS H H 62 8.525 8.322 0.203 1
1 787 . 3 1 1 A 84 84 LYS HA H 62 3.972 4.080 -0.108 1
1 796 . 3 1 1 A 84 84 LYS C C 62 177.865 178.266 -0.401 1
1 797 . 3 1 1 A 84 84 LYS CA C 62 57.690 59.092 -1.402 1
1 798 . 3 1 1 A 84 84 LYS CB C 62 31.440 32.126 -0.686 1
1 802 . 3 1 1 A 84 84 LYS N N 62 115.896 117.471 -1.575 1
1 803 . 3 1 1 A 85 85 ASP H H 63 7.598 7.929 -0.331 1
1 804 . 3 1 1 A 85 85 ASP HA H 63 4.710 4.379 0.331 1
1 807 . 3 1 1 A 85 85 ASP C C 63 177.307 177.474 -0.167 1
1 808 . 3 1 1 A 85 85 ASP CA C 63 55.460 57.314 -1.854 1
1 809 . 3 1 1 A 85 85 ASP CB C 63 42.000 41.731 0.269 1
1 810 . 3 1 1 A 85 85 ASP N N 63 118.917 119.676 -0.759 1
1 811 . 3 1 1 A 86 86 ILE H H 64 7.417 7.267 0.150 1
1 812 . 3 1 1 A 86 86 ILE HA H 64 4.027 3.941 0.086 1
1 822 . 3 1 1 A 86 86 ILE C C 64 177.055 177.198 -0.143 1
1 823 . 3 1 1 A 86 86 ILE CA C 64 62.150 62.525 -0.375 1
1 824 . 3 1 1 A 86 86 ILE CB C 64 42.670 38.900 3.770 1
1 828 . 3 1 1 A 86 86 ILE N N 64 117.599 117.229 0.370 1
1 829 . 3 1 1 A 87 87 LEU H H 65 7.399 7.753 -0.354 1
1 830 . 3 1 1 A 87 87 LEU HA H 65 3.695 5.006 -1.311 1
1 840 . 3 1 1 A 87 87 LEU C C 65 179.409 178.634 0.775 1
1 841 . 3 1 1 A 87 87 LEU CA C 65 55.040 55.317 -0.277 1
1 842 . 3 1 1 A 87 87 LEU CB C 65 40.910 42.521 -1.611 1
1 846 . 3 1 1 A 87 87 LEU N N 65 116.948 120.628 -3.680 1
1 847 . 3 1 1 A 88 88 ARG H H 66 7.954 8.090 -0.136 1
1 848 . 3 1 1 A 88 88 ARG HA H 66 4.227 4.050 0.177 1
1 855 . 3 1 1 A 88 88 ARG C C 66 179.333 178.483 0.850 1
1 856 . 3 1 1 A 88 88 ARG CA C 66 56.960 58.744 -1.784 1
1 857 . 3 1 1 A 88 88 ARG CB C 66 30.570 29.800 0.770 1
1 860 . 3 1 1 A 88 88 ARG N N 66 122.752 121.035 1.717 1
1 861 . 3 1 1 A 89 89 LYS H H 67 8.374 8.136 0.238 1
1 862 . 3 1 1 A 89 89 LYS HA H 67 3.948 4.092 -0.144 1
1 871 . 3 1 1 A 89 89 LYS C C 67 179.278 178.071 1.207 1
1 872 . 3 1 1 A 89 89 LYS CA C 67 58.560 59.824 -1.264 1
1 873 . 3 1 1 A 89 89 LYS CB C 67 32.620 32.473 0.147 1
1 877 . 3 1 1 A 89 89 LYS N N 67 124.661 118.440 6.221 1
1 878 . 3 1 1 A 90 90 GLN H H 68 8.616 7.468 1.148 1
1 879 . 3 1 1 A 90 90 GLN HA H 68 4.169 4.311 -0.142 1
1 886 . 3 1 1 A 90 90 GLN C C 68 177.778 175.384 2.394 1
1 887 . 3 1 1 A 90 90 GLN CA C 68 56.670 56.933 -0.263 1
1 888 . 3 1 1 A 90 90 GLN CB C 68 28.230 30.443 -2.213 1
1 890 . 3 1 1 A 90 90 GLN N N 68 115.896 118.725 -2.829 1
1 892 . 3 1 1 A 91 91 ASP H H 69 7.319 8.127 -0.808 1
1 893 . 3 1 1 A 91 91 ASP HA H 69 4.523 4.514 0.009 1
1 896 . 3 1 1 A 91 91 ASP C C 69 177.164 176.465 0.699 1
1 897 . 3 1 1 A 91 91 ASP CA C 69 54.440 55.889 -1.449 1
1 898 . 3 1 1 A 91 91 ASP CB C 69 41.200 40.527 0.673 1
1 899 . 3 1 1 A 91 91 ASP N N 69 121.181 119.143 2.038 1
1 900 . 3 1 1 A 92 92 GLU H H 70 8.320 8.072 0.248 1
1 901 . 3 1 1 A 92 92 GLU HA H 70 3.892 4.088 -0.196 1
1 906 . 3 1 1 A 92 92 GLU C C 70 177.657 175.508 2.149 1
1 907 . 3 1 1 A 92 92 GLU CA C 70 57.260 59.281 -2.021 1
1 908 . 3 1 1 A 92 92 GLU CB C 70 30.750 30.344 0.406 1
1 910 . 3 1 1 A 92 92 GLU N N 70 120.205 118.212 1.993 1
1 911 . 3 1 1 A 93 93 TYR H H 71 7.251 7.418 -0.167 1
1 912 . 3 1 1 A 93 93 TYR HA H 71 4.550 5.255 -0.705 1
1 919 . 3 1 1 A 93 93 TYR C C 71 175.861 173.463 2.398 1
1 920 . 3 1 1 A 93 93 TYR CA C 71 55.550 55.877 -0.327 1
1 921 . 3 1 1 A 93 93 TYR CB C 71 39.680 41.848 -2.168 1
1 924 . 3 1 1 A 93 93 TYR N N 71 115.349 113.500 1.849 1
1 925 . 3 1 1 A 94 94 HIS H H 72 7.991 8.718 -0.727 1
1 926 . 3 1 1 A 94 94 HIS HA H 72 5.034 5.008 0.026 1
1 930 . 3 1 1 A 94 94 HIS C C 72 176.157 173.975 2.182 1
1 931 . 3 1 1 A 94 94 HIS CA C 72 54.990 54.794 0.196 1
1 932 . 3 1 1 A 94 94 HIS CB C 72 33.910 33.865 0.045 1
1 934 . 3 1 1 A 94 94 HIS N N 72 120.146 117.575 2.571 1
1 935 . 3 1 1 A 95 95 MET H H 73 9.227 9.016 0.211 1
1 936 . 3 1 1 A 95 95 MET HA H 73 5.306 5.202 0.104 1
1 941 . 3 1 1 A 95 95 MET C C 73 176.891 175.138 1.753 1
1 942 . 3 1 1 A 95 95 MET CA C 73 54.500 53.470 1.030 1
1 943 . 3 1 1 A 95 95 MET CB C 73 33.690 33.873 -0.183 1
1 945 . 3 1 1 A 95 95 MET N N 73 124.691 119.593 5.098 1
1 946 . 3 1 1 A 96 96 VAL H H 74 9.070 9.082 -0.012 1
1 947 . 3 1 1 A 96 96 VAL HA H 74 4.719 4.751 -0.032 1
1 955 . 3 1 1 A 96 96 VAL C C 74 175.653 174.600 1.053 1
1 956 . 3 1 1 A 96 96 VAL CA C 74 60.790 60.635 0.155 1
1 957 . 3 1 1 A 96 96 VAL CB C 74 35.290 35.498 -0.208 1
1 960 . 3 1 1 A 96 96 VAL N N 74 125.298 123.557 1.741 1
1 961 . 3 1 1 A 97 97 HIS H H 75 9.197 8.802 0.395 1
1 962 . 3 1 1 A 97 97 HIS HA H 75 5.213 5.464 -0.251 1
1 966 . 3 1 1 A 97 97 HIS C C 75 176.245 174.368 1.877 1
1 967 . 3 1 1 A 97 97 HIS CA C 75 55.800 55.311 0.489 1
1 968 . 3 1 1 A 97 97 HIS CB C 75 32.170 31.871 0.299 1
1 970 . 3 1 1 A 97 97 HIS N N 75 125.299 125.110 0.189 1
1 971 . 3 1 1 A 98 98 LEU H H 76 8.423 8.853 -0.430 1
1 972 . 3 1 1 A 98 98 LEU HA H 76 5.059 5.150 -0.091 1
1 982 . 3 1 1 A 98 98 LEU C C 76 177.592 174.469 3.123 1
1 983 . 3 1 1 A 98 98 LEU CA C 76 54.150 53.367 0.783 1
1 984 . 3 1 1 A 98 98 LEU CB C 76 43.540 45.393 -1.853 1
1 988 . 3 1 1 A 98 98 LEU N N 76 126.291 124.247 2.044 1
1 13 . 4 1 1 A 24 24 VAL H H 2 8.008 8.076 -0.068 1
1 14 . 4 1 1 A 24 24 VAL HA H 2 4.297 4.103 0.194 1
1 22 . 4 1 1 A 24 24 VAL C C 2 175.571 176.028 -0.457 1
1 23 . 4 1 1 A 24 24 VAL CA C 2 60.030 61.711 -1.681 1
1 24 . 4 1 1 A 24 24 VAL CB C 2 34.710 32.050 2.660 1
1 27 . 4 1 1 A 24 24 VAL N N 2 118.399 120.651 -2.252 1
1 28 . 4 1 1 A 25 25 THR H H 3 8.520 8.574 -0.054 1
1 29 . 4 1 1 A 25 25 THR HA H 3 4.738 4.345 0.393 1
1 34 . 4 1 1 A 25 25 THR C C 3 175.275 173.060 2.215 1
1 35 . 4 1 1 A 25 25 THR CA C 3 62.350 63.434 -1.084 1
1 36 . 4 1 1 A 25 25 THR CB C 3 69.930 68.607 1.323 1
1 38 . 4 1 1 A 25 25 THR N N 3 121.522 122.482 -0.960 1
1 39 . 4 1 1 A 26 26 LEU H H 4 8.929 9.140 -0.211 1
1 40 . 4 1 1 A 26 26 LEU HA H 4 5.102 5.103 -0.001 1
1 50 . 4 1 1 A 26 26 LEU C C 4 176.809 175.042 1.767 1
1 51 . 4 1 1 A 26 26 LEU CA C 4 52.850 53.714 -0.864 1
1 52 . 4 1 1 A 26 26 LEU CB C 4 45.140 44.075 1.065 1
1 56 . 4 1 1 A 26 26 LEU N N 4 127.076 129.049 -1.973 1
1 57 . 4 1 1 A 27 27 ILE H H 5 8.990 8.788 0.202 1
1 58 . 4 1 1 A 27 27 ILE HA H 5 4.682 4.566 0.116 1
1 68 . 4 1 1 A 27 27 ILE C C 5 176.962 175.265 1.697 1
1 69 . 4 1 1 A 27 27 ILE CA C 5 59.810 61.083 -1.273 1
1 70 . 4 1 1 A 27 27 ILE CB C 5 38.590 36.633 1.957 1
1 74 . 4 1 1 A 27 27 ILE N N 5 122.974 127.767 -4.793 1
1 75 . 4 1 1 A 28 28 ILE H H 6 9.288 8.693 0.595 1
1 76 . 4 1 1 A 28 28 ILE HA H 6 5.025 4.514 0.511 1
1 86 . 4 1 1 A 28 28 ILE C C 6 178.889 175.401 3.488 1
1 87 . 4 1 1 A 28 28 ILE CA C 6 57.620 61.190 -3.570 1
1 88 . 4 1 1 A 28 28 ILE CB C 6 36.680 36.712 -0.032 1
1 92 . 4 1 1 A 28 28 ILE N N 6 125.520 129.115 -3.595 1
1 93 . 4 1 1 A 29 29 LYS H H 7 8.832 8.872 -0.040 1
1 94 . 4 1 1 A 29 29 LYS HA H 7 4.597 4.819 -0.222 1
1 103 . 4 1 1 A 29 29 LYS C C 7 176.414 175.308 1.106 1
1 104 . 4 1 1 A 29 29 LYS CA C 7 54.240 55.076 -0.836 1
1 105 . 4 1 1 A 29 29 LYS CB C 7 34.050 34.139 -0.089 1
1 109 . 4 1 1 A 29 29 LYS N N 7 130.704 127.432 3.272 1
1 110 . 4 1 1 A 30 30 ALA H H 8 9.021 8.659 0.362 1
1 111 . 4 1 1 A 30 30 ALA HA H 8 5.221 4.820 0.401 1
1 115 . 4 1 1 A 30 30 ALA CA C 8 49.220 48.980 0.240 1
1 116 . 4 1 1 A 30 30 ALA CB C 8 20.620 20.542 0.078 1
1 117 . 4 1 1 A 30 30 ALA N N 8 126.869 127.594 -0.725 1
1 118 . 4 1 1 A 31 31 PRO HA H 9 4.445 4.529 -0.084 1
1 125 . 4 1 1 A 31 31 PRO CA C 9 63.990 64.244 -0.254 1
1 126 . 4 1 1 A 31 31 PRO CB C 9 31.860 31.806 0.054 1
1 129 . 4 1 1 A 32 32 ASN HA H 10 4.531 4.684 -0.153 1
1 134 . 4 1 1 A 32 32 ASN C C 10 176.666 175.083 1.583 1
1 135 . 4 1 1 A 32 32 ASN CA C 10 53.210 55.369 -2.159 1
1 136 . 4 1 1 A 32 32 ASN CB C 10 38.150 39.137 -0.987 1
1 138 . 4 1 1 A 33 33 GLN H H 11 8.123 7.968 0.155 1
1 139 . 4 1 1 A 33 33 GLN N N 11 114.038 118.312 -4.274 1
1 140 . 4 1 1 A 34 34 LYS HA H 12 3.817 3.928 -0.111 1
1 149 . 4 1 1 A 34 34 LYS C C 12 178.002 175.850 2.152 1
1 150 . 4 1 1 A 34 34 LYS CA C 12 58.290 58.984 -0.694 1
1 151 . 4 1 1 A 34 34 LYS CB C 12 32.570 31.862 0.708 1
1 155 . 4 1 1 A 35 35 TYR H H 13 6.845 8.163 -1.318 1
1 156 . 4 1 1 A 35 35 TYR HA H 13 4.654 4.862 -0.208 1
1 163 . 4 1 1 A 35 35 TYR CA C 13 56.060 57.442 -1.382 1
1 164 . 4 1 1 A 35 35 TYR CB C 13 41.000 38.787 2.213 1
1 167 . 4 1 1 A 35 35 TYR N N 13 112.988 117.759 -4.771 1
1 168 . 4 1 1 A 36 36 SER HA H 14 4.376 4.612 -0.236 1
1 171 . 4 1 1 A 36 36 SER C C 14 177.170 174.008 3.162 1
1 172 . 4 1 1 A 36 36 SER CA C 14 58.160 57.718 0.442 1
1 173 . 4 1 1 A 36 36 SER CB C 14 64.000 64.860 -0.860 1
1 174 . 4 1 1 A 37 37 ASP H H 15 8.910 8.631 0.279 1
1 175 . 4 1 1 A 37 37 ASP HA H 15 4.622 4.917 -0.295 1
1 178 . 4 1 1 A 37 37 ASP C C 15 178.221 176.597 1.624 1
1 179 . 4 1 1 A 37 37 ASP CA C 15 55.680 54.799 0.881 1
1 180 . 4 1 1 A 37 37 ASP CB C 15 39.640 41.019 -1.379 1
1 181 . 4 1 1 A 37 37 ASP N N 15 125.921 121.665 4.256 1
1 182 . 4 1 1 A 38 38 GLN H H 16 8.224 8.833 -0.609 1
1 183 . 4 1 1 A 38 38 GLN HA H 16 4.653 5.137 -0.484 1
1 190 . 4 1 1 A 38 38 GLN C C 16 176.655 175.252 1.403 1
1 191 . 4 1 1 A 38 38 GLN CA C 16 53.230 54.205 -0.975 1
1 192 . 4 1 1 A 38 38 GLN CB C 16 31.390 31.327 0.063 1
1 194 . 4 1 1 A 38 38 GLN N N 16 121.123 122.706 -1.583 1
1 196 . 4 1 1 A 39 39 THR H H 17 8.733 8.651 0.082 1
1 197 . 4 1 1 A 39 39 THR HA H 17 4.936 4.652 0.284 1
1 202 . 4 1 1 A 39 39 THR C C 17 176.173 173.768 2.405 1
1 203 . 4 1 1 A 39 39 THR CA C 17 62.170 61.536 0.634 1
1 204 . 4 1 1 A 39 39 THR CB C 17 69.300 68.318 0.982 1
1 206 . 4 1 1 A 39 39 THR N N 17 120.324 117.008 3.316 1
1 207 . 4 1 1 A 40 40 ILE H H 18 9.424 8.907 0.517 1
1 208 . 4 1 1 A 40 40 ILE HA H 18 4.592 4.616 -0.024 1
1 218 . 4 1 1 A 40 40 ILE C C 18 176.184 175.037 1.147 1
1 219 . 4 1 1 A 40 40 ILE CA C 18 58.200 61.051 -2.851 1
1 220 . 4 1 1 A 40 40 ILE CB C 18 41.130 37.112 4.018 1
1 224 . 4 1 1 A 40 40 ILE N N 18 126.321 128.546 -2.225 1
1 225 . 4 1 1 A 41 41 SER H H 19 8.518 8.737 -0.219 1
1 226 . 4 1 1 A 41 41 SER HA H 19 4.939 4.887 0.052 1
1 229 . 4 1 1 A 41 41 SER C C 19 175.210 174.171 1.039 1
1 230 . 4 1 1 A 41 41 SER CA C 19 57.160 57.748 -0.588 1
1 231 . 4 1 1 A 41 41 SER CB C 19 63.660 63.477 0.183 1
1 232 . 4 1 1 A 41 41 SER N N 19 120.959 122.961 -2.002 1
1 233 . 4 1 1 A 42 42 CYS H H 20 8.444 8.763 -0.319 1
1 234 . 4 1 1 A 42 42 CYS HA H 20 3.546 5.135 -1.589 1
1 237 . 4 1 1 A 42 42 CYS CA C 20 55.410 56.459 -1.049 1
1 238 . 4 1 1 A 42 42 CYS CB C 20 28.570 32.307 -3.737 1
1 239 . 4 1 1 A 42 42 CYS N N 20 120.248 122.415 -2.167 1
1 240 . 4 1 1 A 43 43 PHE HA H 21 4.580 4.882 -0.302 1
1 248 . 4 1 1 A 43 43 PHE C C 21 177.980 176.004 1.976 1
1 249 . 4 1 1 A 43 43 PHE CA C 21 56.490 56.540 -0.050 1
1 250 . 4 1 1 A 43 43 PHE CB C 21 42.360 40.513 1.847 1
1 254 . 4 1 1 A 44 44 LEU H H 22 9.159 8.675 0.484 1
1 255 . 4 1 1 A 44 44 LEU HA H 22 3.779 4.134 -0.355 1
1 265 . 4 1 1 A 44 44 LEU C C 22 178.177 178.455 -0.278 1
1 266 . 4 1 1 A 44 44 LEU CA C 22 56.980 56.452 0.528 1
1 267 . 4 1 1 A 44 44 LEU CB C 22 42.090 41.369 0.721 1
1 271 . 4 1 1 A 44 44 LEU N N 22 120.130 124.468 -4.338 1
1 272 . 4 1 1 A 45 45 ASN H H 23 8.058 8.176 -0.118 1
1 273 . 4 1 1 A 45 45 ASN HA H 23 4.650 4.274 0.376 1
1 276 . 4 1 1 A 45 45 ASN C C 23 178.364 175.679 2.685 1
1 277 . 4 1 1 A 45 45 ASN CA C 23 52.880 56.275 -3.395 1
1 278 . 4 1 1 A 45 45 ASN CB C 23 37.320 39.194 -1.874 1
1 279 . 4 1 1 A 45 45 ASN N N 23 112.017 117.135 -5.118 1
1 280 . 4 1 1 A 46 46 TRP H H 24 7.857 7.474 0.383 1
1 281 . 4 1 1 A 46 46 TRP HA H 24 4.712 4.792 -0.080 1
1 290 . 4 1 1 A 46 46 TRP C C 24 178.802 176.358 2.444 1
1 291 . 4 1 1 A 46 46 TRP CA C 24 57.240 57.407 -0.167 1
1 292 . 4 1 1 A 46 46 TRP CB C 24 29.250 30.832 -1.582 1
1 298 . 4 1 1 A 46 46 TRP N N 24 121.301 118.010 3.291 1
1 300 . 4 1 1 A 47 47 THR H H 25 7.473 8.862 -1.389 1
1 301 . 4 1 1 A 47 47 THR HA H 25 5.097 4.816 0.281 1
1 306 . 4 1 1 A 47 47 THR C C 25 178.375 176.502 1.873 1
1 307 . 4 1 1 A 47 47 THR CA C 25 59.940 61.056 -1.116 1
1 308 . 4 1 1 A 47 47 THR CB C 25 71.080 71.089 -0.009 1
1 310 . 4 1 1 A 47 47 THR N N 25 109.055 113.897 -4.842 1
1 311 . 4 1 1 A 48 48 VAL H H 26 8.349 8.770 -0.421 1
1 312 . 4 1 1 A 48 48 VAL HA H 26 3.433 3.496 -0.063 1
1 320 . 4 1 1 A 48 48 VAL C C 26 180.548 178.154 2.394 1
1 321 . 4 1 1 A 48 48 VAL CA C 26 66.460 66.561 -0.101 1
1 322 . 4 1 1 A 48 48 VAL CB C 26 31.540 31.532 0.008 1
1 325 . 4 1 1 A 48 48 VAL N N 26 123.048 122.663 0.385 1
1 326 . 4 1 1 A 49 49 GLY H H 27 9.099 8.060 1.039 1
1 327 . 4 1 1 A 49 49 GLY HA2 H 27 3.895 3.749 0.146 1
1 328 . 4 1 1 A 49 49 GLY HA3 H 27 3.512 3.757 -0.245 1
1 329 . 4 1 1 A 49 49 GLY C C 27 177.909 175.670 2.239 1
1 330 . 4 1 1 A 49 49 GLY CA C 27 47.100 47.134 -0.034 1
1 331 . 4 1 1 A 49 49 GLY N N 27 107.086 107.205 -0.119 1
1 332 . 4 1 1 A 50 50 LYS H H 28 7.937 7.776 0.161 1
1 333 . 4 1 1 A 50 50 LYS HA H 28 3.907 3.953 -0.046 1
1 342 . 4 1 1 A 50 50 LYS C C 28 180.866 179.111 1.755 1
1 343 . 4 1 1 A 50 50 LYS CA C 28 59.000 59.312 -0.312 1
1 344 . 4 1 1 A 50 50 LYS CB C 28 31.730 32.004 -0.274 1
1 348 . 4 1 1 A 50 50 LYS N N 28 125.227 122.231 2.996 1
1 349 . 4 1 1 A 51 51 LEU H H 29 8.364 7.852 0.512 1
1 350 . 4 1 1 A 51 51 LEU HA H 29 4.357 4.212 0.145 1
1 360 . 4 1 1 A 51 51 LEU C C 29 180.056 178.472 1.584 1
1 361 . 4 1 1 A 51 51 LEU CA C 29 58.360 57.383 0.977 1
1 362 . 4 1 1 A 51 51 LEU CB C 29 41.510 41.659 -0.149 1
1 366 . 4 1 1 A 51 51 LEU N N 29 122.366 122.055 0.311 1
1 367 . 4 1 1 A 52 52 LYS H H 30 8.711 8.141 0.570 1
1 368 . 4 1 1 A 52 52 LYS HA H 30 4.542 4.048 0.494 1
1 377 . 4 1 1 A 52 52 LYS C C 30 182.257 179.455 2.802 1
1 378 . 4 1 1 A 52 52 LYS CA C 30 59.310 59.148 0.162 1
1 379 . 4 1 1 A 52 52 LYS CB C 30 33.380 31.833 1.547 1
1 383 . 4 1 1 A 52 52 LYS N N 30 119.050 120.141 -1.091 1
1 384 . 4 1 1 A 53 53 THR H H 31 8.130 8.060 0.070 1
1 385 . 4 1 1 A 53 53 THR HA H 31 3.655 3.955 -0.300 1
1 390 . 4 1 1 A 53 53 THR C C 31 179.092 176.109 2.983 1
1 391 . 4 1 1 A 53 53 THR CA C 31 66.890 66.759 0.131 1
1 392 . 4 1 1 A 53 53 THR CB C 31 68.370 68.237 0.133 1
1 394 . 4 1 1 A 53 53 THR N N 31 118.206 117.515 0.691 1
1 395 . 4 1 1 A 54 54 HIS H H 32 8.310 7.634 0.676 1
1 396 . 4 1 1 A 54 54 HIS HA H 32 4.566 4.214 0.352 1
1 400 . 4 1 1 A 54 54 HIS C C 32 180.735 176.909 3.826 1
1 401 . 4 1 1 A 54 54 HIS CA C 32 60.010 59.980 0.030 1
1 402 . 4 1 1 A 54 54 HIS CB C 32 31.620 29.539 2.081 1
1 404 . 4 1 1 A 54 54 HIS N N 32 124.425 123.041 1.384 1
1 405 . 4 1 1 A 55 55 LEU H H 33 9.036 8.259 0.777 1
1 406 . 4 1 1 A 55 55 LEU HA H 33 3.958 3.880 0.078 1
1 416 . 4 1 1 A 55 55 LEU C C 33 180.877 179.475 1.402 1
1 417 . 4 1 1 A 55 55 LEU CA C 33 58.180 57.743 0.437 1
1 418 . 4 1 1 A 55 55 LEU CB C 33 40.710 41.321 -0.611 1
1 422 . 4 1 1 A 55 55 LEU N N 33 119.746 120.589 -0.843 1
1 423 . 4 1 1 A 56 56 SER H H 34 8.266 8.006 0.260 1
1 424 . 4 1 1 A 56 56 SER HA H 34 4.159 4.160 -0.001 1
1 427 . 4 1 1 A 56 56 SER C C 34 176.015 176.074 -0.059 1
1 428 . 4 1 1 A 56 56 SER CA C 34 61.590 61.066 0.524 1
1 429 . 4 1 1 A 56 56 SER CB C 34 63.600 63.137 0.463 1
1 430 . 4 1 1 A 56 56 SER N N 34 114.534 114.112 0.422 1
1 431 . 4 1 1 A 57 57 ASN H H 35 7.273 7.383 -0.110 1
1 432 . 4 1 1 A 57 57 ASN HA H 35 4.799 4.597 0.202 1
1 437 . 4 1 1 A 57 57 ASN C C 35 179.004 177.656 1.348 1
1 438 . 4 1 1 A 57 57 ASN CA C 35 54.520 55.419 -0.899 1
1 439 . 4 1 1 A 57 57 ASN CB C 35 40.890 38.885 2.005 1
1 440 . 4 1 1 A 57 57 ASN N N 35 115.349 119.353 -4.004 1
1 442 . 4 1 1 A 58 58 VAL H H 36 7.810 7.529 0.281 1
1 443 . 4 1 1 A 58 58 VAL HA H 36 4.309 3.884 0.425 1
1 451 . 4 1 1 A 58 58 VAL C C 36 178.446 175.808 2.638 1
1 452 . 4 1 1 A 58 58 VAL CA C 36 62.350 64.875 -2.525 1
1 453 . 4 1 1 A 58 58 VAL CB C 36 32.980 31.606 1.374 1
1 456 . 4 1 1 A 58 58 VAL N N 36 110.874 114.383 -3.509 1
1 457 . 4 1 1 A 59 59 TYR H H 37 8.896 7.702 1.194 1
1 458 . 4 1 1 A 59 59 TYR HA H 37 4.482 4.658 -0.176 1
1 465 . 4 1 1 A 59 59 TYR CA C 37 57.740 57.222 0.518 1
1 466 . 4 1 1 A 59 59 TYR CB C 37 40.440 39.799 0.641 1
1 469 . 4 1 1 A 59 59 TYR N N 37 127.773 123.528 4.245 1
1 470 . 4 1 1 A 60 60 PRO HA H 38 3.956 4.291 -0.335 1
1 477 . 4 1 1 A 60 60 PRO C C 38 178.511 177.741 0.770 1
1 478 . 4 1 1 A 60 60 PRO CA C 38 65.560 65.057 0.503 1
1 479 . 4 1 1 A 60 60 PRO CB C 38 31.860 31.950 -0.090 1
1 482 . 4 1 1 A 61 61 SER H H 39 6.571 8.061 -1.490 1
1 483 . 4 1 1 A 61 61 SER HA H 39 4.238 4.344 -0.106 1
1 486 . 4 1 1 A 61 61 SER C C 39 175.774 174.057 1.717 1
1 487 . 4 1 1 A 61 61 SER CA C 39 58.290 60.880 -2.590 1
1 488 . 4 1 1 A 61 61 SER CB C 39 63.420 63.557 -0.137 1
1 489 . 4 1 1 A 61 61 SER N N 39 108.382 112.085 -3.703 1
1 490 . 4 1 1 A 62 62 LYS H H 40 8.384 7.852 0.532 1
1 491 . 4 1 1 A 62 62 LYS HA H 40 3.922 3.953 -0.031 1
1 500 . 4 1 1 A 62 62 LYS CA C 40 56.710 56.674 0.036 1
1 501 . 4 1 1 A 62 62 LYS CB C 40 30.640 30.389 0.251 1
1 505 . 4 1 1 A 62 62 LYS N N 40 118.443 119.131 -0.688 1
1 506 . 4 1 1 A 63 63 PRO HA H 41 4.284 4.317 -0.033 1
1 513 . 4 1 1 A 63 63 PRO C C 41 179.464 177.049 2.415 1
1 514 . 4 1 1 A 63 63 PRO CA C 41 62.620 63.289 -0.669 1
1 515 . 4 1 1 A 63 63 PRO CB C 41 31.640 31.516 0.124 1
1 518 . 4 1 1 A 64 64 LEU H H 42 8.689 8.405 0.284 1
1 519 . 4 1 1 A 64 64 LEU HA H 42 4.212 4.270 -0.058 1
1 529 . 4 1 1 A 64 64 LEU C C 42 182.476 178.918 3.558 1
1 530 . 4 1 1 A 64 64 LEU CA C 42 54.750 54.772 -0.022 1
1 531 . 4 1 1 A 64 64 LEU CB C 42 41.360 41.871 -0.511 1
1 535 . 4 1 1 A 64 64 LEU N N 42 122.677 124.135 -1.458 1
1 536 . 4 1 1 A 65 65 THR H H 43 8.858 8.766 0.092 1
1 537 . 4 1 1 A 65 65 THR HA H 43 3.779 4.072 -0.293 1
1 542 . 4 1 1 A 65 65 THR C C 43 180.078 174.978 5.100 1
1 543 . 4 1 1 A 65 65 THR CA C 43 66.310 64.925 1.385 1
1 544 . 4 1 1 A 65 65 THR CB C 43 68.100 68.649 -0.549 1
1 546 . 4 1 1 A 65 65 THR N N 43 116.000 118.119 -2.119 1
1 547 . 4 1 1 A 66 66 LYS H H 44 7.921 8.042 -0.121 1
1 548 . 4 1 1 A 66 66 LYS HA H 44 4.125 4.203 -0.078 1
1 557 . 4 1 1 A 66 66 LYS C C 44 177.953 175.886 2.067 1
1 558 . 4 1 1 A 66 66 LYS CA C 44 57.730 57.822 -0.092 1
1 559 . 4 1 1 A 66 66 LYS CB C 44 31.890 32.650 -0.760 1
1 563 . 4 1 1 A 66 66 LYS N N 44 117.614 121.222 -3.608 1
1 564 . 4 1 1 A 67 67 ASP H H 45 7.394 7.626 -0.232 1
1 565 . 4 1 1 A 67 67 ASP HA H 45 4.746 4.775 -0.029 1
1 568 . 4 1 1 A 67 67 ASP C C 45 177.876 175.637 2.239 1
1 569 . 4 1 1 A 67 67 ASP CA C 45 54.350 55.012 -0.662 1
1 570 . 4 1 1 A 67 67 ASP CB C 45 42.090 43.169 -1.079 1
1 571 . 4 1 1 A 67 67 ASP N N 45 118.443 117.470 0.973 1
1 572 . 4 1 1 A 68 68 GLN H H 46 7.143 7.972 -0.829 1
1 573 . 4 1 1 A 68 68 GLN HA H 46 4.054 4.661 -0.607 1
1 578 . 4 1 1 A 68 68 GLN C C 46 177.515 174.572 2.943 1
1 579 . 4 1 1 A 68 68 GLN CA C 46 56.750 55.283 1.467 1
1 580 . 4 1 1 A 68 68 GLN CB C 46 31.150 28.438 2.712 1
1 582 . 4 1 1 A 68 68 GLN N N 46 120.205 117.651 2.554 1
1 583 . 4 1 1 A 69 69 ARG H H 47 8.269 8.715 -0.446 1
1 584 . 4 1 1 A 69 69 ARG HA H 47 4.334 4.751 -0.417 1
1 591 . 4 1 1 A 69 69 ARG C C 47 175.708 175.449 0.259 1
1 592 . 4 1 1 A 69 69 ARG CA C 47 55.010 54.877 0.133 1
1 593 . 4 1 1 A 69 69 ARG CB C 47 31.390 31.773 -0.383 1
1 596 . 4 1 1 A 69 69 ARG N N 47 124.781 125.389 -0.608 1
1 597 . 4 1 1 A 70 70 LEU H H 48 8.254 8.681 -0.427 1
1 598 . 4 1 1 A 70 70 LEU HA H 48 5.444 4.986 0.458 1
1 608 . 4 1 1 A 70 70 LEU C C 48 177.175 175.483 1.692 1
1 609 . 4 1 1 A 70 70 LEU CA C 48 52.810 53.706 -0.896 1
1 610 . 4 1 1 A 70 70 LEU CB C 48 45.100 43.606 1.494 1
1 614 . 4 1 1 A 70 70 LEU N N 48 122.071 121.285 0.786 1
1 615 . 4 1 1 A 71 71 VAL H H 49 9.251 9.132 0.119 1
1 616 . 4 1 1 A 71 71 VAL HA H 49 4.889 5.005 -0.116 1
1 624 . 4 1 1 A 71 71 VAL C C 49 177.208 174.223 2.985 1
1 625 . 4 1 1 A 71 71 VAL CA C 49 60.570 61.325 -0.755 1
1 626 . 4 1 1 A 71 71 VAL CB C 49 34.580 33.117 1.463 1
1 629 . 4 1 1 A 71 71 VAL N N 49 122.797 126.025 -3.228 1
1 630 . 4 1 1 A 72 72 TYR H H 50 8.684 9.135 -0.451 1
1 631 . 4 1 1 A 72 72 TYR HA H 50 5.155 4.964 0.191 1
1 638 . 4 1 1 A 72 72 TYR CA C 50 56.060 57.698 -1.638 1
1 639 . 4 1 1 A 72 72 TYR CB C 50 43.140 40.789 2.351 1
1 642 . 4 1 1 A 72 72 TYR N N 50 126.349 128.755 -2.406 1
1 643 . 4 1 1 A 73 73 SER HA H 51 3.673 4.107 -0.434 1
1 646 . 4 1 1 A 73 73 SER C C 51 177.153 174.424 2.729 1
1 647 . 4 1 1 A 73 73 SER CA C 51 58.000 58.961 -0.961 1
1 648 . 4 1 1 A 73 73 SER CB C 51 62.190 60.679 1.511 1
1 649 . 4 1 1 A 74 74 GLY H H 52 8.209 8.306 -0.097 1
1 650 . 4 1 1 A 74 74 GLY HA2 H 52 4.030 4.043 -0.013 1
1 651 . 4 1 1 A 74 74 GLY HA3 H 52 3.346 4.054 -0.708 1
1 652 . 4 1 1 A 74 74 GLY C C 52 175.259 174.485 0.774 1
1 653 . 4 1 1 A 74 74 GLY CA C 52 44.990 45.172 -0.182 1
1 654 . 4 1 1 A 74 74 GLY N N 52 103.501 110.106 -6.605 1
1 655 . 4 1 1 A 75 75 ARG H H 53 7.816 7.665 0.151 1
1 656 . 4 1 1 A 75 75 ARG HA H 53 4.555 4.406 0.149 1
1 663 . 4 1 1 A 75 75 ARG C C 53 176.321 175.147 1.174 1
1 664 . 4 1 1 A 75 75 ARG CA C 53 54.590 55.962 -1.372 1
1 665 . 4 1 1 A 75 75 ARG CB C 53 32.620 31.487 1.133 1
1 668 . 4 1 1 A 75 75 ARG N N 53 121.834 119.915 1.919 1
1 669 . 4 1 1 A 76 76 LEU H H 54 8.470 8.523 -0.053 1
1 670 . 4 1 1 A 76 76 LEU HA H 54 4.500 4.977 -0.477 1
1 680 . 4 1 1 A 76 76 LEU C C 54 179.639 174.837 4.802 1
1 681 . 4 1 1 A 76 76 LEU CA C 54 55.260 53.565 1.695 1
1 682 . 4 1 1 A 76 76 LEU CB C 54 42.210 44.825 -2.615 1
1 686 . 4 1 1 A 76 76 LEU N N 54 127.239 123.452 3.787 1
1 687 . 4 1 1 A 77 77 LEU H H 55 8.863 9.028 -0.165 1
1 688 . 4 1 1 A 77 77 LEU HA H 55 4.605 4.845 -0.240 1
1 698 . 4 1 1 A 77 77 LEU CA C 55 52.230 51.311 0.919 1
1 699 . 4 1 1 A 77 77 LEU CB C 55 43.090 42.564 0.526 1
1 703 . 4 1 1 A 77 77 LEU N N 55 127.741 127.710 0.031 1
1 704 . 4 1 1 A 78 78 PRO HA H 56 4.708 4.640 0.068 1
1 711 . 4 1 1 A 78 78 PRO C C 56 179.519 176.980 2.539 1
1 712 . 4 1 1 A 78 78 PRO CA C 56 61.780 62.346 -0.566 1
1 713 . 4 1 1 A 78 78 PRO CB C 56 32.600 32.595 0.005 1
1 716 . 4 1 1 A 79 79 ASP H H 57 8.109 8.640 -0.531 1
1 717 . 4 1 1 A 79 79 ASP HA H 57 4.122 4.221 -0.099 1
1 720 . 4 1 1 A 79 79 ASP C C 57 179.782 177.900 1.882 1
1 721 . 4 1 1 A 79 79 ASP CA C 57 57.380 56.441 0.939 1
1 722 . 4 1 1 A 79 79 ASP CB C 57 41.200 40.034 1.166 1
1 723 . 4 1 1 A 79 79 ASP N N 57 116.504 121.740 -5.236 1
1 724 . 4 1 1 A 80 80 HIS H H 58 7.815 7.684 0.131 1
1 725 . 4 1 1 A 80 80 HIS HA H 58 4.519 4.423 0.096 1
1 730 . 4 1 1 A 80 80 HIS C C 58 177.668 175.306 2.362 1
1 731 . 4 1 1 A 80 80 HIS CA C 58 57.110 58.265 -1.155 1
1 732 . 4 1 1 A 80 80 HIS CB C 58 30.770 29.235 1.535 1
1 735 . 4 1 1 A 80 80 HIS N N 58 112.239 115.013 -2.774 1
1 736 . 4 1 1 A 81 81 LEU H H 59 6.281 6.730 -0.449 1
1 737 . 4 1 1 A 81 81 LEU HA H 59 4.157 4.773 -0.616 1
1 747 . 4 1 1 A 81 81 LEU C C 59 178.501 176.692 1.809 1
1 748 . 4 1 1 A 81 81 LEU CA C 59 53.970 52.936 1.034 1
1 749 . 4 1 1 A 81 81 LEU CB C 59 43.360 44.546 -1.186 1
1 753 . 4 1 1 A 81 81 LEU N N 59 120.531 117.341 3.190 1
1 754 . 4 1 1 A 82 82 GLN H H 60 8.863 8.817 0.046 1
1 755 . 4 1 1 A 82 82 GLN HA H 60 4.891 4.307 0.584 1
1 762 . 4 1 1 A 82 82 GLN C C 60 180.417 177.406 3.011 1
1 763 . 4 1 1 A 82 82 GLN CA C 60 54.880 56.277 -1.397 1
1 764 . 4 1 1 A 82 82 GLN CB C 60 31.480 29.000 2.480 1
1 766 . 4 1 1 A 82 82 GLN N N 60 118.014 119.905 -1.891 1
1 768 . 4 1 1 A 83 83 LEU H H 61 8.688 8.398 0.290 1
1 769 . 4 1 1 A 83 83 LEU HA H 61 3.705 3.795 -0.090 1
1 779 . 4 1 1 A 83 83 LEU C C 61 181.775 178.599 3.176 1
1 780 . 4 1 1 A 83 83 LEU CA C 61 58.510 57.991 0.519 1
1 781 . 4 1 1 A 83 83 LEU CB C 61 40.330 41.403 -1.073 1
1 785 . 4 1 1 A 83 83 LEU N N 61 121.910 123.801 -1.891 1
1 786 . 4 1 1 A 84 84 LYS H H 62 8.525 8.017 0.508 1
1 787 . 4 1 1 A 84 84 LYS HA H 62 3.972 3.972 0.000 1
1 796 . 4 1 1 A 84 84 LYS C C 62 177.865 178.291 -0.426 1
1 797 . 4 1 1 A 84 84 LYS CA C 62 57.690 59.052 -1.362 1
1 798 . 4 1 1 A 84 84 LYS CB C 62 31.440 31.882 -0.442 1
1 802 . 4 1 1 A 84 84 LYS N N 62 115.896 117.702 -1.806 1
1 803 . 4 1 1 A 85 85 ASP H H 63 7.598 7.798 -0.200 1
1 804 . 4 1 1 A 85 85 ASP HA H 63 4.710 4.358 0.352 1
1 807 . 4 1 1 A 85 85 ASP C C 63 177.307 177.649 -0.342 1
1 808 . 4 1 1 A 85 85 ASP CA C 63 55.460 57.665 -2.205 1
1 809 . 4 1 1 A 85 85 ASP CB C 63 42.000 41.943 0.057 1
1 810 . 4 1 1 A 85 85 ASP N N 63 118.917 119.636 -0.719 1
1 811 . 4 1 1 A 86 86 ILE H H 64 7.417 7.257 0.160 1
1 812 . 4 1 1 A 86 86 ILE HA H 64 4.027 3.976 0.051 1
1 822 . 4 1 1 A 86 86 ILE C C 64 177.055 176.812 0.243 1
1 823 . 4 1 1 A 86 86 ILE CA C 64 62.150 63.209 -1.059 1
1 824 . 4 1 1 A 86 86 ILE CB C 64 42.670 38.351 4.319 1
1 828 . 4 1 1 A 86 86 ILE N N 64 117.599 117.825 -0.226 1
1 829 . 4 1 1 A 87 87 LEU H H 65 7.399 7.327 0.072 1
1 830 . 4 1 1 A 87 87 LEU HA H 65 3.695 4.041 -0.346 1
1 840 . 4 1 1 A 87 87 LEU C C 65 179.409 177.390 2.019 1
1 841 . 4 1 1 A 87 87 LEU CA C 65 55.040 54.006 1.034 1
1 842 . 4 1 1 A 87 87 LEU CB C 65 40.910 40.760 0.150 1
1 846 . 4 1 1 A 87 87 LEU N N 65 116.948 120.164 -3.216 1
1 847 . 4 1 1 A 88 88 ARG H H 66 7.954 8.288 -0.334 1
1 848 . 4 1 1 A 88 88 ARG HA H 66 4.227 4.090 0.137 1
1 855 . 4 1 1 A 88 88 ARG C C 66 179.333 178.181 1.152 1
1 856 . 4 1 1 A 88 88 ARG CA C 66 56.960 58.019 -1.059 1
1 857 . 4 1 1 A 88 88 ARG CB C 66 30.570 29.085 1.485 1
1 860 . 4 1 1 A 88 88 ARG N N 66 122.752 120.190 2.562 1
1 861 . 4 1 1 A 89 89 LYS H H 67 8.374 8.131 0.243 1
1 862 . 4 1 1 A 89 89 LYS HA H 67 3.948 4.055 -0.107 1
1 871 . 4 1 1 A 89 89 LYS C C 67 179.278 178.801 0.477 1
1 872 . 4 1 1 A 89 89 LYS CA C 67 58.560 59.495 -0.935 1
1 873 . 4 1 1 A 89 89 LYS CB C 67 32.620 32.248 0.372 1
1 877 . 4 1 1 A 89 89 LYS N N 67 124.661 119.301 5.360 1
1 878 . 4 1 1 A 90 90 GLN H H 68 8.616 8.150 0.466 1
1 879 . 4 1 1 A 90 90 GLN HA H 68 4.169 4.324 -0.155 1
1 886 . 4 1 1 A 90 90 GLN C C 68 177.778 175.684 2.094 1
1 887 . 4 1 1 A 90 90 GLN CA C 68 56.670 55.773 0.897 1
1 888 . 4 1 1 A 90 90 GLN CB C 68 28.230 29.445 -1.215 1
1 890 . 4 1 1 A 90 90 GLN N N 68 115.896 116.926 -1.030 1
1 892 . 4 1 1 A 91 91 ASP H H 69 7.319 8.109 -0.790 1
1 893 . 4 1 1 A 91 91 ASP HA H 69 4.523 4.495 0.028 1
1 896 . 4 1 1 A 91 91 ASP C C 69 177.164 175.804 1.360 1
1 897 . 4 1 1 A 91 91 ASP CA C 69 54.440 55.460 -1.020 1
1 898 . 4 1 1 A 91 91 ASP CB C 69 41.200 40.411 0.789 1
1 899 . 4 1 1 A 91 91 ASP N N 69 121.181 118.773 2.408 1
1 900 . 4 1 1 A 92 92 GLU H H 70 8.320 7.800 0.520 1
1 901 . 4 1 1 A 92 92 GLU HA H 70 3.892 4.697 -0.805 1
1 906 . 4 1 1 A 92 92 GLU C C 70 177.657 175.295 2.362 1
1 907 . 4 1 1 A 92 92 GLU CA C 70 57.260 58.298 -1.038 1
1 908 . 4 1 1 A 92 92 GLU CB C 70 30.750 32.431 -1.681 1
1 910 . 4 1 1 A 92 92 GLU N N 70 120.205 118.439 1.766 1
1 911 . 4 1 1 A 93 93 TYR H H 71 7.251 8.438 -1.187 1
1 912 . 4 1 1 A 93 93 TYR HA H 71 4.550 5.777 -1.227 1
1 919 . 4 1 1 A 93 93 TYR C C 71 175.861 174.229 1.632 1
1 920 . 4 1 1 A 93 93 TYR CA C 71 55.550 55.628 -0.078 1
1 921 . 4 1 1 A 93 93 TYR CB C 71 39.680 41.991 -2.311 1
1 924 . 4 1 1 A 93 93 TYR N N 71 115.349 115.393 -0.044 1
1 925 . 4 1 1 A 94 94 HIS H H 72 7.991 8.677 -0.686 1
1 926 . 4 1 1 A 94 94 HIS HA H 72 5.034 5.066 -0.032 1
1 930 . 4 1 1 A 94 94 HIS C C 72 176.157 174.165 1.992 1
1 931 . 4 1 1 A 94 94 HIS CA C 72 54.990 54.402 0.588 1
1 932 . 4 1 1 A 94 94 HIS CB C 72 33.910 32.457 1.453 1
1 934 . 4 1 1 A 94 94 HIS N N 72 120.146 119.275 0.871 1
1 935 . 4 1 1 A 95 95 MET H H 73 9.227 9.054 0.173 1
1 936 . 4 1 1 A 95 95 MET HA H 73 5.306 4.892 0.414 1
1 941 . 4 1 1 A 95 95 MET C C 73 176.891 175.452 1.439 1
1 942 . 4 1 1 A 95 95 MET CA C 73 54.500 54.345 0.155 1
1 943 . 4 1 1 A 95 95 MET CB C 73 33.690 32.933 0.757 1
1 945 . 4 1 1 A 95 95 MET N N 73 124.691 124.377 0.314 1
1 946 . 4 1 1 A 96 96 VAL H H 74 9.070 8.959 0.111 1
1 947 . 4 1 1 A 96 96 VAL HA H 74 4.719 4.732 -0.013 1
1 955 . 4 1 1 A 96 96 VAL C C 74 175.653 174.813 0.840 1
1 956 . 4 1 1 A 96 96 VAL CA C 74 60.790 60.953 -0.163 1
1 957 . 4 1 1 A 96 96 VAL CB C 74 35.290 34.372 0.918 1
1 960 . 4 1 1 A 96 96 VAL N N 74 125.298 124.865 0.433 1
1 961 . 4 1 1 A 97 97 HIS H H 75 9.197 9.057 0.140 1
1 962 . 4 1 1 A 97 97 HIS HA H 75 5.213 5.434 -0.221 1
1 966 . 4 1 1 A 97 97 HIS C C 75 176.245 174.382 1.863 1
1 967 . 4 1 1 A 97 97 HIS CA C 75 55.800 55.548 0.252 1
1 968 . 4 1 1 A 97 97 HIS CB C 75 32.170 30.260 1.910 1
1 970 . 4 1 1 A 97 97 HIS N N 75 125.299 126.194 -0.895 1
1 971 . 4 1 1 A 98 98 LEU H H 76 8.423 8.770 -0.347 1
1 972 . 4 1 1 A 98 98 LEU HA H 76 5.059 4.428 0.631 1
1 982 . 4 1 1 A 98 98 LEU C C 76 177.592 176.803 0.789 1
1 983 . 4 1 1 A 98 98 LEU CA C 76 54.150 54.659 -0.509 1
1 984 . 4 1 1 A 98 98 LEU CB C 76 43.540 42.038 1.502 1
1 988 . 4 1 1 A 98 98 LEU N N 76 126.291 127.480 -1.189 1
1 13 . 5 1 1 A 24 24 VAL H H 2 8.008 8.169 -0.161 1
1 14 . 5 1 1 A 24 24 VAL HA H 2 4.297 4.449 -0.152 1
1 22 . 5 1 1 A 24 24 VAL C C 2 175.571 175.380 0.191 1
1 23 . 5 1 1 A 24 24 VAL CA C 2 60.030 61.468 -1.438 1
1 24 . 5 1 1 A 24 24 VAL CB C 2 34.710 31.333 3.377 1
1 27 . 5 1 1 A 24 24 VAL N N 2 118.399 123.984 -5.585 1
1 28 . 5 1 1 A 25 25 THR H H 3 8.520 8.875 -0.355 1
1 29 . 5 1 1 A 25 25 THR HA H 3 4.738 4.478 0.260 1
1 34 . 5 1 1 A 25 25 THR C C 3 175.275 173.164 2.111 1
1 35 . 5 1 1 A 25 25 THR CA C 3 62.350 62.769 -0.419 1
1 36 . 5 1 1 A 25 25 THR CB C 3 69.930 68.065 1.865 1
1 38 . 5 1 1 A 25 25 THR N N 3 121.522 123.258 -1.736 1
1 39 . 5 1 1 A 26 26 LEU H H 4 8.929 9.023 -0.094 1
1 40 . 5 1 1 A 26 26 LEU HA H 4 5.102 4.923 0.179 1
1 50 . 5 1 1 A 26 26 LEU C C 4 176.809 175.058 1.751 1
1 51 . 5 1 1 A 26 26 LEU CA C 4 52.850 53.984 -1.134 1
1 52 . 5 1 1 A 26 26 LEU CB C 4 45.140 43.828 1.312 1
1 56 . 5 1 1 A 26 26 LEU N N 4 127.076 128.916 -1.840 1
1 57 . 5 1 1 A 27 27 ILE H H 5 8.990 8.815 0.175 1
1 58 . 5 1 1 A 27 27 ILE HA H 5 4.682 4.545 0.137 1
1 68 . 5 1 1 A 27 27 ILE C C 5 176.962 175.389 1.573 1
1 69 . 5 1 1 A 27 27 ILE CA C 5 59.810 61.226 -1.416 1
1 70 . 5 1 1 A 27 27 ILE CB C 5 38.590 36.802 1.788 1
1 74 . 5 1 1 A 27 27 ILE N N 5 122.974 127.741 -4.767 1
1 75 . 5 1 1 A 28 28 ILE H H 6 9.288 9.178 0.110 1
1 76 . 5 1 1 A 28 28 ILE HA H 6 5.025 4.797 0.228 1
1 86 . 5 1 1 A 28 28 ILE C C 6 178.889 175.478 3.411 1
1 87 . 5 1 1 A 28 28 ILE CA C 6 57.620 60.785 -3.165 1
1 88 . 5 1 1 A 28 28 ILE CB C 6 36.680 37.131 -0.451 1
1 92 . 5 1 1 A 28 28 ILE N N 6 125.520 128.891 -3.371 1
1 93 . 5 1 1 A 29 29 LYS H H 7 8.832 8.915 -0.083 1
1 94 . 5 1 1 A 29 29 LYS HA H 7 4.597 4.910 -0.313 1
1 103 . 5 1 1 A 29 29 LYS C C 7 176.414 176.348 0.066 1
1 104 . 5 1 1 A 29 29 LYS CA C 7 54.240 54.467 -0.227 1
1 105 . 5 1 1 A 29 29 LYS CB C 7 34.050 34.584 -0.534 1
1 109 . 5 1 1 A 29 29 LYS N N 7 130.704 127.264 3.440 1
1 110 . 5 1 1 A 30 30 ALA H H 8 9.021 8.872 0.149 1
1 111 . 5 1 1 A 30 30 ALA HA H 8 5.221 4.636 0.585 1
1 115 . 5 1 1 A 30 30 ALA CA C 8 49.220 50.715 -1.495 1
1 116 . 5 1 1 A 30 30 ALA CB C 8 20.620 18.857 1.763 1
1 117 . 5 1 1 A 30 30 ALA N N 8 126.869 124.950 1.919 1
1 118 . 5 1 1 A 31 31 PRO HA H 9 4.445 4.231 0.214 1
1 125 . 5 1 1 A 31 31 PRO CA C 9 63.990 65.717 -1.727 1
1 126 . 5 1 1 A 31 31 PRO CB C 9 31.860 31.642 0.218 1
1 129 . 5 1 1 A 32 32 ASN HA H 10 4.531 4.722 -0.191 1
1 134 . 5 1 1 A 32 32 ASN C C 10 176.666 174.861 1.805 1
1 135 . 5 1 1 A 32 32 ASN CA C 10 53.210 54.782 -1.572 1
1 136 . 5 1 1 A 32 32 ASN CB C 10 38.150 38.996 -0.846 1
1 138 . 5 1 1 A 33 33 GLN H H 11 8.123 7.974 0.149 1
1 139 . 5 1 1 A 33 33 GLN N N 11 114.038 116.698 -2.660 1
1 140 . 5 1 1 A 34 34 LYS HA H 12 3.817 4.100 -0.283 1
1 149 . 5 1 1 A 34 34 LYS C C 12 178.002 176.739 1.263 1
1 150 . 5 1 1 A 34 34 LYS CA C 12 58.290 58.903 -0.613 1
1 151 . 5 1 1 A 34 34 LYS CB C 12 32.570 32.273 0.297 1
1 155 . 5 1 1 A 35 35 TYR H H 13 6.845 8.181 -1.336 1
1 156 . 5 1 1 A 35 35 TYR HA H 13 4.654 4.712 -0.058 1
1 163 . 5 1 1 A 35 35 TYR CA C 13 56.060 57.977 -1.917 1
1 164 . 5 1 1 A 35 35 TYR CB C 13 41.000 39.707 1.293 1
1 167 . 5 1 1 A 35 35 TYR N N 13 112.988 117.979 -4.991 1
1 168 . 5 1 1 A 36 36 SER HA H 14 4.376 4.564 -0.188 1
1 171 . 5 1 1 A 36 36 SER C C 14 177.170 173.588 3.582 1
1 172 . 5 1 1 A 36 36 SER CA C 14 58.160 56.747 1.413 1
1 173 . 5 1 1 A 36 36 SER CB C 14 64.000 65.268 -1.268 1
1 174 . 5 1 1 A 37 37 ASP H H 15 8.910 8.661 0.249 1
1 175 . 5 1 1 A 37 37 ASP HA H 15 4.622 4.831 -0.209 1
1 178 . 5 1 1 A 37 37 ASP C C 15 178.221 175.423 2.798 1
1 179 . 5 1 1 A 37 37 ASP CA C 15 55.680 53.579 2.101 1
1 180 . 5 1 1 A 37 37 ASP CB C 15 39.640 41.372 -1.732 1
1 181 . 5 1 1 A 37 37 ASP N N 15 125.921 121.673 4.248 1
1 182 . 5 1 1 A 38 38 GLN H H 16 8.224 8.876 -0.652 1
1 183 . 5 1 1 A 38 38 GLN HA H 16 4.653 4.725 -0.072 1
1 190 . 5 1 1 A 38 38 GLN C C 16 176.655 175.339 1.316 1
1 191 . 5 1 1 A 38 38 GLN CA C 16 53.230 55.229 -1.999 1
1 192 . 5 1 1 A 38 38 GLN CB C 16 31.390 29.133 2.257 1
1 194 . 5 1 1 A 38 38 GLN N N 16 121.123 124.222 -3.099 1
1 196 . 5 1 1 A 39 39 THR H H 17 8.733 8.531 0.202 1
1 197 . 5 1 1 A 39 39 THR HA H 17 4.936 4.629 0.307 1
1 202 . 5 1 1 A 39 39 THR C C 17 176.173 173.846 2.327 1
1 203 . 5 1 1 A 39 39 THR CA C 17 62.170 61.444 0.726 1
1 204 . 5 1 1 A 39 39 THR CB C 17 69.300 68.497 0.803 1
1 206 . 5 1 1 A 39 39 THR N N 17 120.324 116.821 3.503 1
1 207 . 5 1 1 A 40 40 ILE H H 18 9.424 8.828 0.596 1
1 208 . 5 1 1 A 40 40 ILE HA H 18 4.592 4.731 -0.139 1
1 218 . 5 1 1 A 40 40 ILE C C 18 176.184 175.275 0.909 1
1 219 . 5 1 1 A 40 40 ILE CA C 18 58.200 60.356 -2.156 1
1 220 . 5 1 1 A 40 40 ILE CB C 18 41.130 38.256 2.874 1
1 224 . 5 1 1 A 40 40 ILE N N 18 126.321 128.622 -2.301 1
1 225 . 5 1 1 A 41 41 SER H H 19 8.518 8.711 -0.193 1
1 226 . 5 1 1 A 41 41 SER HA H 19 4.939 4.543 0.396 1
1 229 . 5 1 1 A 41 41 SER C C 19 175.210 174.564 0.646 1
1 230 . 5 1 1 A 41 41 SER CA C 19 57.160 58.959 -1.799 1
1 231 . 5 1 1 A 41 41 SER CB C 19 63.660 63.380 0.280 1
1 232 . 5 1 1 A 41 41 SER N N 19 120.959 123.341 -2.382 1
1 233 . 5 1 1 A 42 42 CYS H H 20 8.444 8.646 -0.202 1
1 234 . 5 1 1 A 42 42 CYS HA H 20 3.546 5.338 -1.792 1
1 237 . 5 1 1 A 42 42 CYS CA C 20 55.410 56.451 -1.041 1
1 238 . 5 1 1 A 42 42 CYS CB C 20 28.570 31.644 -3.074 1
1 239 . 5 1 1 A 42 42 CYS N N 20 120.248 121.687 -1.439 1
1 240 . 5 1 1 A 43 43 PHE HA H 21 4.580 4.754 -0.174 1
1 248 . 5 1 1 A 43 43 PHE C C 21 177.980 175.619 2.361 1
1 249 . 5 1 1 A 43 43 PHE CA C 21 56.490 56.019 0.471 1
1 250 . 5 1 1 A 43 43 PHE CB C 21 42.360 42.337 0.023 1
1 254 . 5 1 1 A 44 44 LEU H H 22 9.159 8.880 0.279 1
1 255 . 5 1 1 A 44 44 LEU HA H 22 3.779 4.119 -0.340 1
1 265 . 5 1 1 A 44 44 LEU C C 22 178.177 178.179 -0.002 1
1 266 . 5 1 1 A 44 44 LEU CA C 22 56.980 56.252 0.728 1
1 267 . 5 1 1 A 44 44 LEU CB C 22 42.090 41.258 0.832 1
1 271 . 5 1 1 A 44 44 LEU N N 22 120.130 125.150 -5.020 1
1 272 . 5 1 1 A 45 45 ASN H H 23 8.058 7.916 0.142 1
1 273 . 5 1 1 A 45 45 ASN HA H 23 4.650 4.258 0.392 1
1 276 . 5 1 1 A 45 45 ASN C C 23 178.364 176.505 1.859 1
1 277 . 5 1 1 A 45 45 ASN CA C 23 52.880 56.288 -3.408 1
1 278 . 5 1 1 A 45 45 ASN CB C 23 37.320 37.981 -0.661 1
1 279 . 5 1 1 A 45 45 ASN N N 23 112.017 115.635 -3.618 1
1 280 . 5 1 1 A 46 46 TRP H H 24 7.857 7.393 0.464 1
1 281 . 5 1 1 A 46 46 TRP HA H 24 4.712 4.710 0.002 1
1 290 . 5 1 1 A 46 46 TRP C C 24 178.802 176.428 2.374 1
1 291 . 5 1 1 A 46 46 TRP CA C 24 57.240 57.819 -0.579 1
1 292 . 5 1 1 A 46 46 TRP CB C 24 29.250 29.921 -0.671 1
1 298 . 5 1 1 A 46 46 TRP N N 24 121.301 118.856 2.445 1
1 300 . 5 1 1 A 47 47 THR H H 25 7.473 9.020 -1.547 1
1 301 . 5 1 1 A 47 47 THR HA H 25 5.097 4.663 0.434 1
1 306 . 5 1 1 A 47 47 THR C C 25 178.375 176.360 2.015 1
1 307 . 5 1 1 A 47 47 THR CA C 25 59.940 60.843 -0.903 1
1 308 . 5 1 1 A 47 47 THR CB C 25 71.080 71.111 -0.031 1
1 310 . 5 1 1 A 47 47 THR N N 25 109.055 114.291 -5.236 1
1 311 . 5 1 1 A 48 48 VAL H H 26 8.349 8.645 -0.296 1
1 312 . 5 1 1 A 48 48 VAL HA H 26 3.433 3.454 -0.021 1
1 320 . 5 1 1 A 48 48 VAL C C 26 180.548 178.394 2.154 1
1 321 . 5 1 1 A 48 48 VAL CA C 26 66.460 66.667 -0.207 1
1 322 . 5 1 1 A 48 48 VAL CB C 26 31.540 31.507 0.033 1
1 325 . 5 1 1 A 48 48 VAL N N 26 123.048 122.157 0.891 1
1 326 . 5 1 1 A 49 49 GLY H H 27 9.099 8.161 0.938 1
1 327 . 5 1 1 A 49 49 GLY HA2 H 27 3.895 3.752 0.143 1
1 328 . 5 1 1 A 49 49 GLY HA3 H 27 3.512 3.758 -0.246 1
1 329 . 5 1 1 A 49 49 GLY C C 27 177.909 175.478 2.431 1
1 330 . 5 1 1 A 49 49 GLY CA C 27 47.100 47.280 -0.180 1
1 331 . 5 1 1 A 49 49 GLY N N 27 107.086 107.356 -0.270 1
1 332 . 5 1 1 A 50 50 LYS H H 28 7.937 7.970 -0.033 1
1 333 . 5 1 1 A 50 50 LYS HA H 28 3.907 3.941 -0.034 1
1 342 . 5 1 1 A 50 50 LYS C C 28 180.866 179.315 1.551 1
1 343 . 5 1 1 A 50 50 LYS CA C 28 59.000 59.391 -0.391 1
1 344 . 5 1 1 A 50 50 LYS CB C 28 31.730 32.286 -0.556 1
1 348 . 5 1 1 A 50 50 LYS N N 28 125.227 122.224 3.003 1
1 349 . 5 1 1 A 51 51 LEU H H 29 8.364 8.047 0.317 1
1 350 . 5 1 1 A 51 51 LEU HA H 29 4.357 4.104 0.253 1
1 360 . 5 1 1 A 51 51 LEU C C 29 180.056 178.337 1.719 1
1 361 . 5 1 1 A 51 51 LEU CA C 29 58.360 57.839 0.521 1
1 362 . 5 1 1 A 51 51 LEU CB C 29 41.510 41.741 -0.231 1
1 366 . 5 1 1 A 51 51 LEU N N 29 122.366 121.098 1.268 1
1 367 . 5 1 1 A 52 52 LYS H H 30 8.711 8.142 0.569 1
1 368 . 5 1 1 A 52 52 LYS HA H 30 4.542 4.025 0.517 1
1 377 . 5 1 1 A 52 52 LYS C C 30 182.257 179.129 3.128 1
1 378 . 5 1 1 A 52 52 LYS CA C 30 59.310 59.390 -0.080 1
1 379 . 5 1 1 A 52 52 LYS CB C 30 33.380 32.108 1.272 1
1 383 . 5 1 1 A 52 52 LYS N N 30 119.050 119.480 -0.430 1
1 384 . 5 1 1 A 53 53 THR H H 31 8.130 7.949 0.181 1
1 385 . 5 1 1 A 53 53 THR HA H 31 3.655 3.903 -0.248 1
1 390 . 5 1 1 A 53 53 THR C C 31 179.092 175.965 3.127 1
1 391 . 5 1 1 A 53 53 THR CA C 31 66.890 66.973 -0.083 1
1 392 . 5 1 1 A 53 53 THR CB C 31 68.370 68.400 -0.030 1
1 394 . 5 1 1 A 53 53 THR N N 31 118.206 117.800 0.406 1
1 395 . 5 1 1 A 54 54 HIS H H 32 8.310 7.720 0.590 1
1 396 . 5 1 1 A 54 54 HIS HA H 32 4.566 4.057 0.509 1
1 400 . 5 1 1 A 54 54 HIS C C 32 180.735 176.987 3.748 1
1 401 . 5 1 1 A 54 54 HIS CA C 32 60.010 60.077 -0.067 1
1 402 . 5 1 1 A 54 54 HIS CB C 32 31.620 29.388 2.232 1
1 404 . 5 1 1 A 54 54 HIS N N 32 124.425 122.169 2.256 1
1 405 . 5 1 1 A 55 55 LEU H H 33 9.036 8.217 0.819 1
1 406 . 5 1 1 A 55 55 LEU HA H 33 3.958 3.882 0.076 1
1 416 . 5 1 1 A 55 55 LEU C C 33 180.877 179.415 1.462 1
1 417 . 5 1 1 A 55 55 LEU CA C 33 58.180 57.852 0.328 1
1 418 . 5 1 1 A 55 55 LEU CB C 33 40.710 42.000 -1.290 1
1 422 . 5 1 1 A 55 55 LEU N N 33 119.746 120.611 -0.865 1
1 423 . 5 1 1 A 56 56 SER H H 34 8.266 7.896 0.370 1
1 424 . 5 1 1 A 56 56 SER HA H 34 4.159 4.183 -0.024 1
1 427 . 5 1 1 A 56 56 SER C C 34 176.015 176.276 -0.261 1
1 428 . 5 1 1 A 56 56 SER CA C 34 61.590 62.134 -0.544 1
1 429 . 5 1 1 A 56 56 SER CB C 34 63.600 62.805 0.795 1
1 430 . 5 1 1 A 56 56 SER N N 34 114.534 113.796 0.738 1
1 431 . 5 1 1 A 57 57 ASN H H 35 7.273 7.919 -0.646 1
1 432 . 5 1 1 A 57 57 ASN HA H 35 4.799 4.570 0.229 1
1 437 . 5 1 1 A 57 57 ASN C C 35 179.004 177.200 1.804 1
1 438 . 5 1 1 A 57 57 ASN CA C 35 54.520 55.949 -1.429 1
1 439 . 5 1 1 A 57 57 ASN CB C 35 40.890 38.803 2.087 1
1 440 . 5 1 1 A 57 57 ASN N N 35 115.349 119.890 -4.541 1
1 442 . 5 1 1 A 58 58 VAL H H 36 7.810 6.892 0.918 1
1 443 . 5 1 1 A 58 58 VAL HA H 36 4.309 4.206 0.103 1
1 451 . 5 1 1 A 58 58 VAL C C 36 178.446 175.268 3.178 1
1 452 . 5 1 1 A 58 58 VAL CA C 36 62.350 62.244 0.106 1
1 453 . 5 1 1 A 58 58 VAL CB C 36 32.980 32.022 0.958 1
1 456 . 5 1 1 A 58 58 VAL N N 36 110.874 110.825 0.049 1
1 457 . 5 1 1 A 59 59 TYR H H 37 8.896 7.656 1.240 1
1 458 . 5 1 1 A 59 59 TYR HA H 37 4.482 4.744 -0.262 1
1 465 . 5 1 1 A 59 59 TYR CA C 37 57.740 56.767 0.973 1
1 466 . 5 1 1 A 59 59 TYR CB C 37 40.440 39.710 0.730 1
1 469 . 5 1 1 A 59 59 TYR N N 37 127.773 124.323 3.450 1
1 470 . 5 1 1 A 60 60 PRO HA H 38 3.956 4.303 -0.347 1
1 477 . 5 1 1 A 60 60 PRO C C 38 178.511 177.984 0.527 1
1 478 . 5 1 1 A 60 60 PRO CA C 38 65.560 65.019 0.541 1
1 479 . 5 1 1 A 60 60 PRO CB C 38 31.860 31.956 -0.096 1
1 482 . 5 1 1 A 61 61 SER H H 39 6.571 7.994 -1.423 1
1 483 . 5 1 1 A 61 61 SER HA H 39 4.238 4.451 -0.213 1
1 486 . 5 1 1 A 61 61 SER C C 39 175.774 174.165 1.609 1
1 487 . 5 1 1 A 61 61 SER CA C 39 58.290 60.787 -2.497 1
1 488 . 5 1 1 A 61 61 SER CB C 39 63.420 63.952 -0.532 1
1 489 . 5 1 1 A 61 61 SER N N 39 108.382 112.098 -3.716 1
1 490 . 5 1 1 A 62 62 LYS H H 40 8.384 7.822 0.562 1
1 491 . 5 1 1 A 62 62 LYS HA H 40 3.922 4.118 -0.196 1
1 500 . 5 1 1 A 62 62 LYS CA C 40 56.710 56.660 0.050 1
1 501 . 5 1 1 A 62 62 LYS CB C 40 30.640 30.790 -0.150 1
1 505 . 5 1 1 A 62 62 LYS N N 40 118.443 119.164 -0.721 1
1 506 . 5 1 1 A 63 63 PRO HA H 41 4.284 4.546 -0.262 1
1 513 . 5 1 1 A 63 63 PRO C C 41 179.464 175.971 3.493 1
1 514 . 5 1 1 A 63 63 PRO CA C 41 62.620 62.450 0.170 1
1 515 . 5 1 1 A 63 63 PRO CB C 41 31.640 33.527 -1.887 1
1 518 . 5 1 1 A 64 64 LEU H H 42 8.689 8.489 0.200 1
1 519 . 5 1 1 A 64 64 LEU HA H 42 4.212 4.434 -0.222 1
1 529 . 5 1 1 A 64 64 LEU C C 42 182.476 178.594 3.882 1
1 530 . 5 1 1 A 64 64 LEU CA C 42 54.750 54.093 0.657 1
1 531 . 5 1 1 A 64 64 LEU CB C 42 41.360 42.136 -0.776 1
1 535 . 5 1 1 A 64 64 LEU N N 42 122.677 121.800 0.877 1
1 536 . 5 1 1 A 65 65 THR H H 43 8.858 8.825 0.033 1
1 537 . 5 1 1 A 65 65 THR HA H 43 3.779 3.865 -0.086 1
1 542 . 5 1 1 A 65 65 THR C C 43 180.078 175.516 4.562 1
1 543 . 5 1 1 A 65 65 THR CA C 43 66.310 65.904 0.406 1
1 544 . 5 1 1 A 65 65 THR CB C 43 68.100 68.379 -0.279 1
1 546 . 5 1 1 A 65 65 THR N N 43 116.000 118.117 -2.117 1
1 547 . 5 1 1 A 66 66 LYS H H 44 7.921 8.409 -0.488 1
1 548 . 5 1 1 A 66 66 LYS HA H 44 4.125 4.120 0.005 1
1 557 . 5 1 1 A 66 66 LYS C C 44 177.953 177.646 0.307 1
1 558 . 5 1 1 A 66 66 LYS CA C 44 57.730 58.504 -0.774 1
1 559 . 5 1 1 A 66 66 LYS CB C 44 31.890 31.306 0.584 1
1 563 . 5 1 1 A 66 66 LYS N N 44 117.614 120.236 -2.622 1
1 564 . 5 1 1 A 67 67 ASP H H 45 7.394 7.667 -0.273 1
1 565 . 5 1 1 A 67 67 ASP HA H 45 4.746 4.572 0.174 1
1 568 . 5 1 1 A 67 67 ASP C C 45 177.876 176.223 1.653 1
1 569 . 5 1 1 A 67 67 ASP CA C 45 54.350 55.352 -1.002 1
1 570 . 5 1 1 A 67 67 ASP CB C 45 42.090 41.830 0.260 1
1 571 . 5 1 1 A 67 67 ASP N N 45 118.443 118.265 0.178 1
1 572 . 5 1 1 A 68 68 GLN H H 46 7.143 7.344 -0.201 1
1 573 . 5 1 1 A 68 68 GLN HA H 46 4.054 4.694 -0.640 1
1 578 . 5 1 1 A 68 68 GLN C C 46 177.515 175.226 2.289 1
1 579 . 5 1 1 A 68 68 GLN CA C 46 56.750 54.967 1.783 1
1 580 . 5 1 1 A 68 68 GLN CB C 46 31.150 30.308 0.842 1
1 582 . 5 1 1 A 68 68 GLN N N 46 120.205 117.645 2.560 1
1 583 . 5 1 1 A 69 69 ARG H H 47 8.269 8.898 -0.629 1
1 584 . 5 1 1 A 69 69 ARG HA H 47 4.334 5.151 -0.817 1
1 591 . 5 1 1 A 69 69 ARG C C 47 175.708 174.813 0.895 1
1 592 . 5 1 1 A 69 69 ARG CA C 47 55.010 54.356 0.654 1
1 593 . 5 1 1 A 69 69 ARG CB C 47 31.390 33.934 -2.544 1
1 596 . 5 1 1 A 69 69 ARG N N 47 124.781 123.579 1.202 1
1 597 . 5 1 1 A 70 70 LEU H H 48 8.254 9.094 -0.840 1
1 598 . 5 1 1 A 70 70 LEU HA H 48 5.444 4.885 0.559 1
1 608 . 5 1 1 A 70 70 LEU C C 48 177.175 175.403 1.772 1
1 609 . 5 1 1 A 70 70 LEU CA C 48 52.810 53.299 -0.489 1
1 610 . 5 1 1 A 70 70 LEU CB C 48 45.100 43.071 2.029 1
1 614 . 5 1 1 A 70 70 LEU N N 48 122.071 122.399 -0.328 1
1 615 . 5 1 1 A 71 71 VAL H H 49 9.251 9.209 0.042 1
1 616 . 5 1 1 A 71 71 VAL HA H 49 4.889 4.871 0.018 1
1 624 . 5 1 1 A 71 71 VAL C C 49 177.208 173.927 3.281 1
1 625 . 5 1 1 A 71 71 VAL CA C 49 60.570 61.371 -0.801 1
1 626 . 5 1 1 A 71 71 VAL CB C 49 34.580 32.571 2.009 1
1 629 . 5 1 1 A 71 71 VAL N N 49 122.797 125.734 -2.937 1
1 630 . 5 1 1 A 72 72 TYR H H 50 8.684 8.897 -0.213 1
1 631 . 5 1 1 A 72 72 TYR HA H 50 5.155 4.751 0.404 1
1 638 . 5 1 1 A 72 72 TYR CA C 50 56.060 57.031 -0.971 1
1 639 . 5 1 1 A 72 72 TYR CB C 50 43.140 39.473 3.667 1
1 642 . 5 1 1 A 72 72 TYR N N 50 126.349 129.641 -3.292 1
1 643 . 5 1 1 A 73 73 SER HA H 51 3.673 4.093 -0.420 1
1 646 . 5 1 1 A 73 73 SER C C 51 177.153 174.422 2.731 1
1 647 . 5 1 1 A 73 73 SER CA C 51 58.000 59.528 -1.528 1
1 648 . 5 1 1 A 73 73 SER CB C 51 62.190 61.487 0.703 1
1 649 . 5 1 1 A 74 74 GLY H H 52 8.209 8.381 -0.172 1
1 650 . 5 1 1 A 74 74 GLY HA2 H 52 4.030 4.061 -0.031 1
1 651 . 5 1 1 A 74 74 GLY HA3 H 52 3.346 4.097 -0.751 1
1 652 . 5 1 1 A 74 74 GLY C C 52 175.259 174.577 0.682 1
1 653 . 5 1 1 A 74 74 GLY CA C 52 44.990 45.304 -0.314 1
1 654 . 5 1 1 A 74 74 GLY N N 52 103.501 106.353 -2.852 1
1 655 . 5 1 1 A 75 75 ARG H H 53 7.816 7.664 0.152 1
1 656 . 5 1 1 A 75 75 ARG HA H 53 4.555 4.417 0.138 1
1 663 . 5 1 1 A 75 75 ARG C C 53 176.321 175.121 1.200 1
1 664 . 5 1 1 A 75 75 ARG CA C 53 54.590 55.900 -1.310 1
1 665 . 5 1 1 A 75 75 ARG CB C 53 32.620 31.365 1.255 1
1 668 . 5 1 1 A 75 75 ARG N N 53 121.834 119.939 1.895 1
1 669 . 5 1 1 A 76 76 LEU H H 54 8.470 8.609 -0.139 1
1 670 . 5 1 1 A 76 76 LEU HA H 54 4.500 4.930 -0.430 1
1 680 . 5 1 1 A 76 76 LEU C C 54 179.639 174.894 4.745 1
1 681 . 5 1 1 A 76 76 LEU CA C 54 55.260 53.776 1.484 1
1 682 . 5 1 1 A 76 76 LEU CB C 54 42.210 44.249 -2.039 1
1 686 . 5 1 1 A 76 76 LEU N N 54 127.239 124.073 3.166 1
1 687 . 5 1 1 A 77 77 LEU H H 55 8.863 9.210 -0.347 1
1 688 . 5 1 1 A 77 77 LEU HA H 55 4.605 4.883 -0.278 1
1 698 . 5 1 1 A 77 77 LEU CA C 55 52.230 51.594 0.636 1
1 699 . 5 1 1 A 77 77 LEU CB C 55 43.090 42.166 0.924 1
1 703 . 5 1 1 A 77 77 LEU N N 55 127.741 128.427 -0.686 1
1 704 . 5 1 1 A 78 78 PRO HA H 56 4.708 4.745 -0.037 1
1 711 . 5 1 1 A 78 78 PRO C C 56 179.519 177.134 2.385 1
1 712 . 5 1 1 A 78 78 PRO CA C 56 61.780 62.435 -0.655 1
1 713 . 5 1 1 A 78 78 PRO CB C 56 32.600 32.607 -0.007 1
1 716 . 5 1 1 A 79 79 ASP H H 57 8.109 8.786 -0.677 1
1 717 . 5 1 1 A 79 79 ASP HA H 57 4.122 4.208 -0.086 1
1 720 . 5 1 1 A 79 79 ASP C C 57 179.782 177.527 2.255 1
1 721 . 5 1 1 A 79 79 ASP CA C 57 57.380 56.258 1.122 1
1 722 . 5 1 1 A 79 79 ASP CB C 57 41.200 40.147 1.053 1
1 723 . 5 1 1 A 79 79 ASP N N 57 116.504 121.754 -5.250 1
1 724 . 5 1 1 A 80 80 HIS H H 58 7.815 7.778 0.037 1
1 725 . 5 1 1 A 80 80 HIS HA H 58 4.519 4.472 0.047 1
1 730 . 5 1 1 A 80 80 HIS C C 58 177.668 175.326 2.342 1
1 731 . 5 1 1 A 80 80 HIS CA C 58 57.110 57.846 -0.736 1
1 732 . 5 1 1 A 80 80 HIS CB C 58 30.770 29.556 1.214 1
1 735 . 5 1 1 A 80 80 HIS N N 58 112.239 114.988 -2.749 1
1 736 . 5 1 1 A 81 81 LEU H H 59 6.281 6.545 -0.264 1
1 737 . 5 1 1 A 81 81 LEU HA H 59 4.157 4.620 -0.463 1
1 747 . 5 1 1 A 81 81 LEU C C 59 178.501 176.626 1.875 1
1 748 . 5 1 1 A 81 81 LEU CA C 59 53.970 52.831 1.139 1
1 749 . 5 1 1 A 81 81 LEU CB C 59 43.360 44.224 -0.864 1
1 753 . 5 1 1 A 81 81 LEU N N 59 120.531 117.222 3.309 1
1 754 . 5 1 1 A 82 82 GLN H H 60 8.863 8.732 0.131 1
1 755 . 5 1 1 A 82 82 GLN HA H 60 4.891 4.331 0.560 1
1 762 . 5 1 1 A 82 82 GLN C C 60 180.417 177.639 2.778 1
1 763 . 5 1 1 A 82 82 GLN CA C 60 54.880 55.894 -1.014 1
1 764 . 5 1 1 A 82 82 GLN CB C 60 31.480 29.364 2.116 1
1 766 . 5 1 1 A 82 82 GLN N N 60 118.014 119.550 -1.536 1
1 768 . 5 1 1 A 83 83 LEU H H 61 8.688 8.742 -0.054 1
1 769 . 5 1 1 A 83 83 LEU HA H 61 3.705 3.810 -0.105 1
1 779 . 5 1 1 A 83 83 LEU C C 61 181.775 178.608 3.167 1
1 780 . 5 1 1 A 83 83 LEU CA C 61 58.510 57.965 0.545 1
1 781 . 5 1 1 A 83 83 LEU CB C 61 40.330 41.441 -1.111 1
1 785 . 5 1 1 A 83 83 LEU N N 61 121.910 124.122 -2.212 1
1 786 . 5 1 1 A 84 84 LYS H H 62 8.525 7.856 0.669 1
1 787 . 5 1 1 A 84 84 LYS HA H 62 3.972 4.021 -0.049 1
1 796 . 5 1 1 A 84 84 LYS C C 62 177.865 178.177 -0.312 1
1 797 . 5 1 1 A 84 84 LYS CA C 62 57.690 58.999 -1.309 1
1 798 . 5 1 1 A 84 84 LYS CB C 62 31.440 32.029 -0.589 1
1 802 . 5 1 1 A 84 84 LYS N N 62 115.896 117.501 -1.605 1
1 803 . 5 1 1 A 85 85 ASP H H 63 7.598 7.869 -0.271 1
1 804 . 5 1 1 A 85 85 ASP HA H 63 4.710 4.342 0.368 1
1 807 . 5 1 1 A 85 85 ASP C C 63 177.307 177.636 -0.329 1
1 808 . 5 1 1 A 85 85 ASP CA C 63 55.460 57.632 -2.172 1
1 809 . 5 1 1 A 85 85 ASP CB C 63 42.000 41.508 0.492 1
1 810 . 5 1 1 A 85 85 ASP N N 63 118.917 119.565 -0.648 1
1 811 . 5 1 1 A 86 86 ILE H H 64 7.417 7.262 0.155 1
1 812 . 5 1 1 A 86 86 ILE HA H 64 4.027 3.994 0.033 1
1 822 . 5 1 1 A 86 86 ILE C C 64 177.055 176.983 0.072 1
1 823 . 5 1 1 A 86 86 ILE CA C 64 62.150 63.019 -0.869 1
1 824 . 5 1 1 A 86 86 ILE CB C 64 42.670 38.799 3.871 1
1 828 . 5 1 1 A 86 86 ILE N N 64 117.599 117.509 0.090 1
1 829 . 5 1 1 A 87 87 LEU H H 65 7.399 7.361 0.038 1
1 830 . 5 1 1 A 87 87 LEU HA H 65 3.695 4.112 -0.417 1
1 840 . 5 1 1 A 87 87 LEU C C 65 179.409 177.068 2.341 1
1 841 . 5 1 1 A 87 87 LEU CA C 65 55.040 54.195 0.845 1
1 842 . 5 1 1 A 87 87 LEU CB C 65 40.910 40.925 -0.015 1
1 846 . 5 1 1 A 87 87 LEU N N 65 116.948 119.965 -3.017 1
1 847 . 5 1 1 A 88 88 ARG H H 66 7.954 7.371 0.583 1
1 848 . 5 1 1 A 88 88 ARG HA H 66 4.227 3.900 0.327 1
1 855 . 5 1 1 A 88 88 ARG C C 66 179.333 178.738 0.595 1
1 856 . 5 1 1 A 88 88 ARG CA C 66 56.960 59.135 -2.175 1
1 857 . 5 1 1 A 88 88 ARG CB C 66 30.570 29.789 0.781 1
1 860 . 5 1 1 A 88 88 ARG N N 66 122.752 121.199 1.553 1
1 861 . 5 1 1 A 89 89 LYS H H 67 8.374 8.042 0.332 1
1 862 . 5 1 1 A 89 89 LYS HA H 67 3.948 4.097 -0.149 1
1 871 . 5 1 1 A 89 89 LYS C C 67 179.278 178.327 0.951 1
1 872 . 5 1 1 A 89 89 LYS CA C 67 58.560 59.950 -1.390 1
1 873 . 5 1 1 A 89 89 LYS CB C 67 32.620 32.324 0.296 1
1 877 . 5 1 1 A 89 89 LYS N N 67 124.661 118.603 6.058 1
1 878 . 5 1 1 A 90 90 GLN H H 68 8.616 7.960 0.656 1
1 879 . 5 1 1 A 90 90 GLN HA H 68 4.169 4.291 -0.122 1
1 886 . 5 1 1 A 90 90 GLN C C 68 177.778 176.416 1.362 1
1 887 . 5 1 1 A 90 90 GLN CA C 68 56.670 55.961 0.709 1
1 888 . 5 1 1 A 90 90 GLN CB C 68 28.230 29.856 -1.626 1
1 890 . 5 1 1 A 90 90 GLN N N 68 115.896 116.025 -0.129 1
1 892 . 5 1 1 A 91 91 ASP H H 69 7.319 8.109 -0.790 1
1 893 . 5 1 1 A 91 91 ASP HA H 69 4.523 4.798 -0.275 1
1 896 . 5 1 1 A 91 91 ASP C C 69 177.164 176.918 0.246 1
1 897 . 5 1 1 A 91 91 ASP CA C 69 54.440 56.336 -1.896 1
1 898 . 5 1 1 A 91 91 ASP CB C 69 41.200 40.433 0.767 1
1 899 . 5 1 1 A 91 91 ASP N N 69 121.181 119.320 1.861 1
1 900 . 5 1 1 A 92 92 GLU H H 70 8.320 8.347 -0.027 1
1 901 . 5 1 1 A 92 92 GLU HA H 70 3.892 4.102 -0.210 1
1 906 . 5 1 1 A 92 92 GLU C C 70 177.657 175.582 2.075 1
1 907 . 5 1 1 A 92 92 GLU CA C 70 57.260 59.181 -1.921 1
1 908 . 5 1 1 A 92 92 GLU CB C 70 30.750 29.475 1.275 1
1 910 . 5 1 1 A 92 92 GLU N N 70 120.205 118.656 1.549 1
1 911 . 5 1 1 A 93 93 TYR H H 71 7.251 7.425 -0.174 1
1 912 . 5 1 1 A 93 93 TYR HA H 71 4.550 5.584 -1.034 1
1 919 . 5 1 1 A 93 93 TYR C C 71 175.861 173.914 1.947 1
1 920 . 5 1 1 A 93 93 TYR CA C 71 55.550 55.291 0.259 1
1 921 . 5 1 1 A 93 93 TYR CB C 71 39.680 42.460 -2.780 1
1 924 . 5 1 1 A 93 93 TYR N N 71 115.349 114.155 1.194 1
1 925 . 5 1 1 A 94 94 HIS H H 72 7.991 8.546 -0.555 1
1 926 . 5 1 1 A 94 94 HIS HA H 72 5.034 5.230 -0.196 1
1 930 . 5 1 1 A 94 94 HIS C C 72 176.157 174.260 1.897 1
1 931 . 5 1 1 A 94 94 HIS CA C 72 54.990 54.452 0.538 1
1 932 . 5 1 1 A 94 94 HIS CB C 72 33.910 33.096 0.814 1
1 934 . 5 1 1 A 94 94 HIS N N 72 120.146 118.217 1.929 1
1 935 . 5 1 1 A 95 95 MET H H 73 9.227 9.450 -0.223 1
1 936 . 5 1 1 A 95 95 MET HA H 73 5.306 5.324 -0.018 1
1 941 . 5 1 1 A 95 95 MET C C 73 176.891 175.544 1.347 1
1 942 . 5 1 1 A 95 95 MET CA C 73 54.500 54.074 0.426 1
1 943 . 5 1 1 A 95 95 MET CB C 73 33.690 33.777 -0.087 1
1 945 . 5 1 1 A 95 95 MET N N 73 124.691 123.927 0.764 1
1 946 . 5 1 1 A 96 96 VAL H H 74 9.070 9.225 -0.155 1
1 947 . 5 1 1 A 96 96 VAL HA H 74 4.719 4.761 -0.042 1
1 955 . 5 1 1 A 96 96 VAL C C 74 175.653 174.677 0.976 1
1 956 . 5 1 1 A 96 96 VAL CA C 74 60.790 61.201 -0.411 1
1 957 . 5 1 1 A 96 96 VAL CB C 74 35.290 34.441 0.849 1
1 960 . 5 1 1 A 96 96 VAL N N 74 125.298 124.906 0.392 1
1 961 . 5 1 1 A 97 97 HIS H H 75 9.197 8.784 0.413 1
1 962 . 5 1 1 A 97 97 HIS HA H 75 5.213 5.642 -0.429 1
1 966 . 5 1 1 A 97 97 HIS C C 75 176.245 174.080 2.165 1
1 967 . 5 1 1 A 97 97 HIS CA C 75 55.800 54.408 1.392 1
1 968 . 5 1 1 A 97 97 HIS CB C 75 32.170 31.519 0.651 1
1 970 . 5 1 1 A 97 97 HIS N N 75 125.299 125.508 -0.209 1
1 971 . 5 1 1 A 98 98 LEU H H 76 8.423 8.744 -0.321 1
1 972 . 5 1 1 A 98 98 LEU HA H 76 5.059 4.629 0.430 1
1 982 . 5 1 1 A 98 98 LEU C C 76 177.592 175.903 1.689 1
1 983 . 5 1 1 A 98 98 LEU CA C 76 54.150 54.308 -0.158 1
1 984 . 5 1 1 A 98 98 LEU CB C 76 43.540 42.167 1.373 1
1 988 . 5 1 1 A 98 98 LEU N N 76 126.291 126.690 -0.399 1
1 13 . 6 1 1 A 24 24 VAL H H 2 8.008 8.107 -0.099 1
1 14 . 6 1 1 A 24 24 VAL HA H 2 4.297 4.157 0.140 1
1 22 . 6 1 1 A 24 24 VAL C C 2 175.571 175.991 -0.420 1
1 23 . 6 1 1 A 24 24 VAL CA C 2 60.030 61.629 -1.599 1
1 24 . 6 1 1 A 24 24 VAL CB C 2 34.710 32.470 2.240 1
1 27 . 6 1 1 A 24 24 VAL N N 2 118.399 120.284 -1.885 1
1 28 . 6 1 1 A 25 25 THR H H 3 8.520 8.659 -0.139 1
1 29 . 6 1 1 A 25 25 THR HA H 3 4.738 4.402 0.336 1
1 34 . 6 1 1 A 25 25 THR C C 3 175.275 173.154 2.121 1
1 35 . 6 1 1 A 25 25 THR CA C 3 62.350 63.097 -0.747 1
1 36 . 6 1 1 A 25 25 THR CB C 3 69.930 68.733 1.197 1
1 38 . 6 1 1 A 25 25 THR N N 3 121.522 122.842 -1.320 1
1 39 . 6 1 1 A 26 26 LEU H H 4 8.929 9.065 -0.136 1
1 40 . 6 1 1 A 26 26 LEU HA H 4 5.102 5.007 0.095 1
1 50 . 6 1 1 A 26 26 LEU C C 4 176.809 174.986 1.823 1
1 51 . 6 1 1 A 26 26 LEU CA C 4 52.850 53.776 -0.926 1
1 52 . 6 1 1 A 26 26 LEU CB C 4 45.140 43.917 1.223 1
1 56 . 6 1 1 A 26 26 LEU N N 4 127.076 129.209 -2.133 1
1 57 . 6 1 1 A 27 27 ILE H H 5 8.990 8.816 0.174 1
1 58 . 6 1 1 A 27 27 ILE HA H 5 4.682 4.520 0.162 1
1 68 . 6 1 1 A 27 27 ILE C C 5 176.962 175.405 1.557 1
1 69 . 6 1 1 A 27 27 ILE CA C 5 59.810 61.181 -1.371 1
1 70 . 6 1 1 A 27 27 ILE CB C 5 38.590 36.931 1.659 1
1 74 . 6 1 1 A 27 27 ILE N N 5 122.974 127.726 -4.752 1
1 75 . 6 1 1 A 28 28 ILE H H 6 9.288 8.925 0.363 1
1 76 . 6 1 1 A 28 28 ILE HA H 6 5.025 4.501 0.524 1
1 86 . 6 1 1 A 28 28 ILE C C 6 178.889 175.398 3.491 1
1 87 . 6 1 1 A 28 28 ILE CA C 6 57.620 61.048 -3.428 1
1 88 . 6 1 1 A 28 28 ILE CB C 6 36.680 37.505 -0.825 1
1 92 . 6 1 1 A 28 28 ILE N N 6 125.520 129.213 -3.693 1
1 93 . 6 1 1 A 29 29 LYS H H 7 8.832 8.783 0.049 1
1 94 . 6 1 1 A 29 29 LYS HA H 7 4.597 4.777 -0.180 1
1 103 . 6 1 1 A 29 29 LYS C C 7 176.414 176.222 0.192 1
1 104 . 6 1 1 A 29 29 LYS CA C 7 54.240 54.517 -0.277 1
1 105 . 6 1 1 A 29 29 LYS CB C 7 34.050 34.854 -0.804 1
1 109 . 6 1 1 A 29 29 LYS N N 7 130.704 128.000 2.704 1
1 110 . 6 1 1 A 30 30 ALA H H 8 9.021 8.737 0.284 1
1 111 . 6 1 1 A 30 30 ALA HA H 8 5.221 4.531 0.690 1
1 115 . 6 1 1 A 30 30 ALA CA C 8 49.220 51.019 -1.799 1
1 116 . 6 1 1 A 30 30 ALA CB C 8 20.620 18.110 2.510 1
1 117 . 6 1 1 A 30 30 ALA N N 8 126.869 127.345 -0.476 1
1 118 . 6 1 1 A 31 31 PRO HA H 9 4.445 4.577 -0.132 1
1 125 . 6 1 1 A 31 31 PRO CA C 9 63.990 64.792 -0.802 1
1 126 . 6 1 1 A 31 31 PRO CB C 9 31.860 32.195 -0.335 1
1 129 . 6 1 1 A 32 32 ASN HA H 10 4.531 4.906 -0.375 1
1 134 . 6 1 1 A 32 32 ASN C C 10 176.666 175.097 1.569 1
1 135 . 6 1 1 A 32 32 ASN CA C 10 53.210 53.071 0.139 1
1 136 . 6 1 1 A 32 32 ASN CB C 10 38.150 38.776 -0.626 1
1 138 . 6 1 1 A 33 33 GLN H H 11 8.123 8.029 0.094 1
1 139 . 6 1 1 A 33 33 GLN N N 11 114.038 118.116 -4.078 1
1 140 . 6 1 1 A 34 34 LYS HA H 12 3.817 4.013 -0.196 1
1 149 . 6 1 1 A 34 34 LYS C C 12 178.002 176.025 1.977 1
1 150 . 6 1 1 A 34 34 LYS CA C 12 58.290 58.713 -0.423 1
1 151 . 6 1 1 A 34 34 LYS CB C 12 32.570 32.881 -0.311 1
1 155 . 6 1 1 A 35 35 TYR H H 13 6.845 8.258 -1.413 1
1 156 . 6 1 1 A 35 35 TYR HA H 13 4.654 4.794 -0.140 1
1 163 . 6 1 1 A 35 35 TYR CA C 13 56.060 58.328 -2.268 1
1 164 . 6 1 1 A 35 35 TYR CB C 13 41.000 40.603 0.397 1
1 167 . 6 1 1 A 35 35 TYR N N 13 112.988 117.634 -4.646 1
1 168 . 6 1 1 A 36 36 SER HA H 14 4.376 4.633 -0.257 1
1 171 . 6 1 1 A 36 36 SER C C 14 177.170 173.262 3.908 1
1 172 . 6 1 1 A 36 36 SER CA C 14 58.160 56.929 1.231 1
1 173 . 6 1 1 A 36 36 SER CB C 14 64.000 65.254 -1.254 1
1 174 . 6 1 1 A 37 37 ASP H H 15 8.910 8.599 0.311 1
1 175 . 6 1 1 A 37 37 ASP HA H 15 4.622 4.922 -0.300 1
1 178 . 6 1 1 A 37 37 ASP C C 15 178.221 175.220 3.001 1
1 179 . 6 1 1 A 37 37 ASP CA C 15 55.680 53.492 2.188 1
1 180 . 6 1 1 A 37 37 ASP CB C 15 39.640 40.803 -1.163 1
1 181 . 6 1 1 A 37 37 ASP N N 15 125.921 122.668 3.253 1
1 182 . 6 1 1 A 38 38 GLN H H 16 8.224 9.079 -0.855 1
1 183 . 6 1 1 A 38 38 GLN HA H 16 4.653 4.726 -0.073 1
1 190 . 6 1 1 A 38 38 GLN C C 16 176.655 175.536 1.119 1
1 191 . 6 1 1 A 38 38 GLN CA C 16 53.230 55.583 -2.353 1
1 192 . 6 1 1 A 38 38 GLN CB C 16 31.390 29.531 1.859 1
1 194 . 6 1 1 A 38 38 GLN N N 16 121.123 124.507 -3.384 1
1 196 . 6 1 1 A 39 39 THR H H 17 8.733 8.582 0.151 1
1 197 . 6 1 1 A 39 39 THR HA H 17 4.936 4.649 0.287 1
1 202 . 6 1 1 A 39 39 THR C C 17 176.173 173.716 2.457 1
1 203 . 6 1 1 A 39 39 THR CA C 17 62.170 61.148 1.022 1
1 204 . 6 1 1 A 39 39 THR CB C 17 69.300 68.740 0.560 1
1 206 . 6 1 1 A 39 39 THR N N 17 120.324 117.360 2.964 1
1 207 . 6 1 1 A 40 40 ILE H H 18 9.424 8.937 0.487 1
1 208 . 6 1 1 A 40 40 ILE HA H 18 4.592 4.741 -0.149 1
1 218 . 6 1 1 A 40 40 ILE C C 18 176.184 174.918 1.266 1
1 219 . 6 1 1 A 40 40 ILE CA C 18 58.200 60.627 -2.427 1
1 220 . 6 1 1 A 40 40 ILE CB C 18 41.130 38.144 2.986 1
1 224 . 6 1 1 A 40 40 ILE N N 18 126.321 128.564 -2.243 1
1 225 . 6 1 1 A 41 41 SER H H 19 8.518 8.768 -0.250 1
1 226 . 6 1 1 A 41 41 SER HA H 19 4.939 4.715 0.224 1
1 229 . 6 1 1 A 41 41 SER C C 19 175.210 174.565 0.645 1
1 230 . 6 1 1 A 41 41 SER CA C 19 57.160 57.899 -0.739 1
1 231 . 6 1 1 A 41 41 SER CB C 19 63.660 63.502 0.158 1
1 232 . 6 1 1 A 41 41 SER N N 19 120.959 123.007 -2.048 1
1 233 . 6 1 1 A 42 42 CYS H H 20 8.444 8.493 -0.049 1
1 234 . 6 1 1 A 42 42 CYS HA H 20 3.546 5.139 -1.593 1
1 237 . 6 1 1 A 42 42 CYS CA C 20 55.410 57.969 -2.559 1
1 238 . 6 1 1 A 42 42 CYS CB C 20 28.570 33.116 -4.546 1
1 239 . 6 1 1 A 42 42 CYS N N 20 120.248 123.516 -3.268 1
1 240 . 6 1 1 A 43 43 PHE HA H 21 4.580 4.865 -0.285 1
1 248 . 6 1 1 A 43 43 PHE C C 21 177.980 176.092 1.888 1
1 249 . 6 1 1 A 43 43 PHE CA C 21 56.490 56.437 0.053 1
1 250 . 6 1 1 A 43 43 PHE CB C 21 42.360 40.684 1.676 1
1 254 . 6 1 1 A 44 44 LEU H H 22 9.159 8.711 0.448 1
1 255 . 6 1 1 A 44 44 LEU HA H 22 3.779 4.147 -0.368 1
1 265 . 6 1 1 A 44 44 LEU C C 22 178.177 178.293 -0.116 1
1 266 . 6 1 1 A 44 44 LEU CA C 22 56.980 55.839 1.141 1
1 267 . 6 1 1 A 44 44 LEU CB C 22 42.090 41.458 0.632 1
1 271 . 6 1 1 A 44 44 LEU N N 22 120.130 124.976 -4.846 1
1 272 . 6 1 1 A 45 45 ASN H H 23 8.058 7.996 0.062 1
1 273 . 6 1 1 A 45 45 ASN HA H 23 4.650 4.245 0.405 1
1 276 . 6 1 1 A 45 45 ASN C C 23 178.364 175.775 2.589 1
1 277 . 6 1 1 A 45 45 ASN CA C 23 52.880 56.153 -3.273 1
1 278 . 6 1 1 A 45 45 ASN CB C 23 37.320 39.039 -1.719 1
1 279 . 6 1 1 A 45 45 ASN N N 23 112.017 116.911 -4.894 1
1 280 . 6 1 1 A 46 46 TRP H H 24 7.857 7.453 0.404 1
1 281 . 6 1 1 A 46 46 TRP HA H 24 4.712 4.724 -0.012 1
1 290 . 6 1 1 A 46 46 TRP C C 24 178.802 176.438 2.364 1
1 291 . 6 1 1 A 46 46 TRP CA C 24 57.240 57.757 -0.517 1
1 292 . 6 1 1 A 46 46 TRP CB C 24 29.250 29.941 -0.691 1
1 298 . 6 1 1 A 46 46 TRP N N 24 121.301 118.041 3.260 1
1 300 . 6 1 1 A 47 47 THR H H 25 7.473 9.038 -1.565 1
1 301 . 6 1 1 A 47 47 THR HA H 25 5.097 4.668 0.429 1
1 306 . 6 1 1 A 47 47 THR C C 25 178.375 176.382 1.993 1
1 307 . 6 1 1 A 47 47 THR CA C 25 59.940 60.872 -0.932 1
1 308 . 6 1 1 A 47 47 THR CB C 25 71.080 71.133 -0.053 1
1 310 . 6 1 1 A 47 47 THR N N 25 109.055 114.522 -5.467 1
1 311 . 6 1 1 A 48 48 VAL H H 26 8.349 8.372 -0.023 1
1 312 . 6 1 1 A 48 48 VAL HA H 26 3.433 3.468 -0.035 1
1 320 . 6 1 1 A 48 48 VAL C C 26 180.548 178.425 2.123 1
1 321 . 6 1 1 A 48 48 VAL CA C 26 66.460 66.599 -0.139 1
1 322 . 6 1 1 A 48 48 VAL CB C 26 31.540 31.511 0.029 1
1 325 . 6 1 1 A 48 48 VAL N N 26 123.048 122.275 0.773 1
1 326 . 6 1 1 A 49 49 GLY H H 27 9.099 8.432 0.667 1
1 327 . 6 1 1 A 49 49 GLY HA2 H 27 3.895 3.762 0.133 1
1 328 . 6 1 1 A 49 49 GLY HA3 H 27 3.512 3.769 -0.257 1
1 329 . 6 1 1 A 49 49 GLY C C 27 177.909 175.533 2.376 1
1 330 . 6 1 1 A 49 49 GLY CA C 27 47.100 47.275 -0.175 1
1 331 . 6 1 1 A 49 49 GLY N N 27 107.086 107.185 -0.099 1
1 332 . 6 1 1 A 50 50 LYS H H 28 7.937 7.685 0.252 1
1 333 . 6 1 1 A 50 50 LYS HA H 28 3.907 3.981 -0.074 1
1 342 . 6 1 1 A 50 50 LYS C C 28 180.866 179.430 1.436 1
1 343 . 6 1 1 A 50 50 LYS CA C 28 59.000 59.272 -0.272 1
1 344 . 6 1 1 A 50 50 LYS CB C 28 31.730 32.164 -0.434 1
1 348 . 6 1 1 A 50 50 LYS N N 28 125.227 122.559 2.668 1
1 349 . 6 1 1 A 51 51 LEU H H 29 8.364 8.125 0.239 1
1 350 . 6 1 1 A 51 51 LEU HA H 29 4.357 4.149 0.208 1
1 360 . 6 1 1 A 51 51 LEU C C 29 180.056 178.378 1.678 1
1 361 . 6 1 1 A 51 51 LEU CA C 29 58.360 57.481 0.879 1
1 362 . 6 1 1 A 51 51 LEU CB C 29 41.510 41.760 -0.250 1
1 366 . 6 1 1 A 51 51 LEU N N 29 122.366 121.697 0.669 1
1 367 . 6 1 1 A 52 52 LYS H H 30 8.711 8.098 0.613 1
1 368 . 6 1 1 A 52 52 LYS HA H 30 4.542 4.042 0.500 1
1 377 . 6 1 1 A 52 52 LYS C C 30 182.257 179.307 2.950 1
1 378 . 6 1 1 A 52 52 LYS CA C 30 59.310 59.339 -0.029 1
1 379 . 6 1 1 A 52 52 LYS CB C 30 33.380 31.992 1.388 1
1 383 . 6 1 1 A 52 52 LYS N N 30 119.050 120.242 -1.192 1
1 384 . 6 1 1 A 53 53 THR H H 31 8.130 7.804 0.326 1
1 385 . 6 1 1 A 53 53 THR HA H 31 3.655 3.909 -0.254 1
1 390 . 6 1 1 A 53 53 THR C C 31 179.092 175.893 3.199 1
1 391 . 6 1 1 A 53 53 THR CA C 31 66.890 66.964 -0.074 1
1 392 . 6 1 1 A 53 53 THR CB C 31 68.370 68.332 0.038 1
1 394 . 6 1 1 A 53 53 THR N N 31 118.206 117.614 0.592 1
1 395 . 6 1 1 A 54 54 HIS H H 32 8.310 7.563 0.747 1
1 396 . 6 1 1 A 54 54 HIS HA H 32 4.566 4.217 0.349 1
1 400 . 6 1 1 A 54 54 HIS C C 32 180.735 177.246 3.489 1
1 401 . 6 1 1 A 54 54 HIS CA C 32 60.010 60.096 -0.086 1
1 402 . 6 1 1 A 54 54 HIS CB C 32 31.620 29.302 2.318 1
1 404 . 6 1 1 A 54 54 HIS N N 32 124.425 122.487 1.938 1
1 405 . 6 1 1 A 55 55 LEU H H 33 9.036 8.400 0.636 1
1 406 . 6 1 1 A 55 55 LEU HA H 33 3.958 3.837 0.121 1
1 416 . 6 1 1 A 55 55 LEU C C 33 180.877 179.252 1.625 1
1 417 . 6 1 1 A 55 55 LEU CA C 33 58.180 57.918 0.262 1
1 418 . 6 1 1 A 55 55 LEU CB C 33 40.710 41.930 -1.220 1
1 422 . 6 1 1 A 55 55 LEU N N 33 119.746 121.004 -1.258 1
1 423 . 6 1 1 A 56 56 SER H H 34 8.266 8.002 0.264 1
1 424 . 6 1 1 A 56 56 SER HA H 34 4.159 4.158 0.001 1
1 427 . 6 1 1 A 56 56 SER C C 34 176.015 176.934 -0.919 1
1 428 . 6 1 1 A 56 56 SER CA C 34 61.590 61.079 0.511 1
1 429 . 6 1 1 A 56 56 SER CB C 34 63.600 63.220 0.380 1
1 430 . 6 1 1 A 56 56 SER N N 34 114.534 113.339 1.195 1
1 431 . 6 1 1 A 57 57 ASN H H 35 7.273 7.659 -0.386 1
1 432 . 6 1 1 A 57 57 ASN HA H 35 4.799 4.511 0.288 1
1 437 . 6 1 1 A 57 57 ASN C C 35 179.004 176.612 2.392 1
1 438 . 6 1 1 A 57 57 ASN CA C 35 54.520 55.533 -1.013 1
1 439 . 6 1 1 A 57 57 ASN CB C 35 40.890 38.805 2.085 1
1 440 . 6 1 1 A 57 57 ASN N N 35 115.349 119.840 -4.491 1
1 442 . 6 1 1 A 58 58 VAL H H 36 7.810 6.982 0.828 1
1 443 . 6 1 1 A 58 58 VAL HA H 36 4.309 4.383 -0.074 1
1 451 . 6 1 1 A 58 58 VAL C C 36 178.446 175.257 3.189 1
1 452 . 6 1 1 A 58 58 VAL CA C 36 62.350 61.495 0.855 1
1 453 . 6 1 1 A 58 58 VAL CB C 36 32.980 32.301 0.679 1
1 456 . 6 1 1 A 58 58 VAL N N 36 110.874 110.747 0.127 1
1 457 . 6 1 1 A 59 59 TYR H H 37 8.896 7.722 1.174 1
1 458 . 6 1 1 A 59 59 TYR HA H 37 4.482 4.741 -0.259 1
1 465 . 6 1 1 A 59 59 TYR CA C 37 57.740 56.842 0.898 1
1 466 . 6 1 1 A 59 59 TYR CB C 37 40.440 39.734 0.706 1
1 469 . 6 1 1 A 59 59 TYR N N 37 127.773 124.520 3.253 1
1 470 . 6 1 1 A 60 60 PRO HA H 38 3.956 4.252 -0.296 1
1 477 . 6 1 1 A 60 60 PRO C C 38 178.511 177.881 0.630 1
1 478 . 6 1 1 A 60 60 PRO CA C 38 65.560 64.939 0.621 1
1 479 . 6 1 1 A 60 60 PRO CB C 38 31.860 32.094 -0.234 1
1 482 . 6 1 1 A 61 61 SER H H 39 6.571 7.746 -1.175 1
1 483 . 6 1 1 A 61 61 SER HA H 39 4.238 4.347 -0.109 1
1 486 . 6 1 1 A 61 61 SER C C 39 175.774 174.163 1.611 1
1 487 . 6 1 1 A 61 61 SER CA C 39 58.290 61.324 -3.034 1
1 488 . 6 1 1 A 61 61 SER CB C 39 63.420 63.184 0.236 1
1 489 . 6 1 1 A 61 61 SER N N 39 108.382 112.019 -3.637 1
1 490 . 6 1 1 A 62 62 LYS H H 40 8.384 8.067 0.317 1
1 491 . 6 1 1 A 62 62 LYS HA H 40 3.922 4.060 -0.138 1
1 500 . 6 1 1 A 62 62 LYS CA C 40 56.710 56.586 0.124 1
1 501 . 6 1 1 A 62 62 LYS CB C 40 30.640 30.805 -0.165 1
1 505 . 6 1 1 A 62 62 LYS N N 40 118.443 119.182 -0.739 1
1 506 . 6 1 1 A 63 63 PRO HA H 41 4.284 4.613 -0.329 1
1 513 . 6 1 1 A 63 63 PRO C C 41 179.464 176.374 3.090 1
1 514 . 6 1 1 A 63 63 PRO CA C 41 62.620 62.266 0.354 1
1 515 . 6 1 1 A 63 63 PRO CB C 41 31.640 32.532 -0.892 1
1 518 . 6 1 1 A 64 64 LEU H H 42 8.689 8.393 0.296 1
1 519 . 6 1 1 A 64 64 LEU HA H 42 4.212 4.280 -0.068 1
1 529 . 6 1 1 A 64 64 LEU C C 42 182.476 179.055 3.421 1
1 530 . 6 1 1 A 64 64 LEU CA C 42 54.750 54.650 0.100 1
1 531 . 6 1 1 A 64 64 LEU CB C 42 41.360 41.296 0.064 1
1 535 . 6 1 1 A 64 64 LEU N N 42 122.677 122.281 0.396 1
1 536 . 6 1 1 A 65 65 THR H H 43 8.858 8.773 0.085 1
1 537 . 6 1 1 A 65 65 THR HA H 43 3.779 3.960 -0.181 1
1 542 . 6 1 1 A 65 65 THR C C 43 180.078 175.496 4.582 1
1 543 . 6 1 1 A 65 65 THR CA C 43 66.310 65.267 1.043 1
1 544 . 6 1 1 A 65 65 THR CB C 43 68.100 68.185 -0.085 1
1 546 . 6 1 1 A 65 65 THR N N 43 116.000 118.539 -2.539 1
1 547 . 6 1 1 A 66 66 LYS H H 44 7.921 8.694 -0.773 1
1 548 . 6 1 1 A 66 66 LYS HA H 44 4.125 4.162 -0.037 1
1 557 . 6 1 1 A 66 66 LYS C C 44 177.953 177.972 -0.019 1
1 558 . 6 1 1 A 66 66 LYS CA C 44 57.730 58.414 -0.684 1
1 559 . 6 1 1 A 66 66 LYS CB C 44 31.890 31.234 0.656 1
1 563 . 6 1 1 A 66 66 LYS N N 44 117.614 121.381 -3.767 1
1 564 . 6 1 1 A 67 67 ASP H H 45 7.394 7.613 -0.219 1
1 565 . 6 1 1 A 67 67 ASP HA H 45 4.746 4.679 0.067 1
1 568 . 6 1 1 A 67 67 ASP C C 45 177.876 176.963 0.913 1
1 569 . 6 1 1 A 67 67 ASP CA C 45 54.350 55.380 -1.030 1
1 570 . 6 1 1 A 67 67 ASP CB C 45 42.090 41.962 0.128 1
1 571 . 6 1 1 A 67 67 ASP N N 45 118.443 118.194 0.249 1
1 572 . 6 1 1 A 68 68 GLN H H 46 7.143 7.639 -0.496 1
1 573 . 6 1 1 A 68 68 GLN HA H 46 4.054 4.638 -0.584 1
1 578 . 6 1 1 A 68 68 GLN C C 46 177.515 175.946 1.569 1
1 579 . 6 1 1 A 68 68 GLN CA C 46 56.750 56.321 0.429 1
1 580 . 6 1 1 A 68 68 GLN CB C 46 31.150 29.413 1.737 1
1 582 . 6 1 1 A 68 68 GLN N N 46 120.205 117.783 2.422 1
1 583 . 6 1 1 A 69 69 ARG H H 47 8.269 8.748 -0.479 1
1 584 . 6 1 1 A 69 69 ARG HA H 47 4.334 5.048 -0.714 1
1 591 . 6 1 1 A 69 69 ARG C C 47 175.708 175.027 0.681 1
1 592 . 6 1 1 A 69 69 ARG CA C 47 55.010 54.466 0.544 1
1 593 . 6 1 1 A 69 69 ARG CB C 47 31.390 33.170 -1.780 1
1 596 . 6 1 1 A 69 69 ARG N N 47 124.781 124.156 0.625 1
1 597 . 6 1 1 A 70 70 LEU H H 48 8.254 8.821 -0.567 1
1 598 . 6 1 1 A 70 70 LEU HA H 48 5.444 4.663 0.781 1
1 608 . 6 1 1 A 70 70 LEU C C 48 177.175 176.298 0.877 1
1 609 . 6 1 1 A 70 70 LEU CA C 48 52.810 54.196 -1.386 1
1 610 . 6 1 1 A 70 70 LEU CB C 48 45.100 41.125 3.975 1
1 614 . 6 1 1 A 70 70 LEU N N 48 122.071 125.395 -3.324 1
1 615 . 6 1 1 A 71 71 VAL H H 49 9.251 9.242 0.009 1
1 616 . 6 1 1 A 71 71 VAL HA H 49 4.889 4.815 0.074 1
1 624 . 6 1 1 A 71 71 VAL C C 49 177.208 174.089 3.119 1
1 625 . 6 1 1 A 71 71 VAL CA C 49 60.570 61.492 -0.922 1
1 626 . 6 1 1 A 71 71 VAL CB C 49 34.580 32.727 1.853 1
1 629 . 6 1 1 A 71 71 VAL N N 49 122.797 125.564 -2.767 1
1 630 . 6 1 1 A 72 72 TYR H H 50 8.684 8.963 -0.279 1
1 631 . 6 1 1 A 72 72 TYR HA H 50 5.155 5.029 0.126 1
1 638 . 6 1 1 A 72 72 TYR CA C 50 56.060 57.169 -1.109 1
1 639 . 6 1 1 A 72 72 TYR CB C 50 43.140 39.550 3.590 1
1 642 . 6 1 1 A 72 72 TYR N N 50 126.349 129.536 -3.187 1
1 643 . 6 1 1 A 73 73 SER HA H 51 3.673 4.074 -0.401 1
1 646 . 6 1 1 A 73 73 SER C C 51 177.153 174.332 2.821 1
1 647 . 6 1 1 A 73 73 SER CA C 51 58.000 59.183 -1.183 1
1 648 . 6 1 1 A 73 73 SER CB C 51 62.190 61.508 0.682 1
1 649 . 6 1 1 A 74 74 GLY H H 52 8.209 8.357 -0.148 1
1 650 . 6 1 1 A 74 74 GLY HA2 H 52 4.030 3.989 0.041 1
1 651 . 6 1 1 A 74 74 GLY HA3 H 52 3.346 4.001 -0.655 1
1 652 . 6 1 1 A 74 74 GLY C C 52 175.259 174.532 0.727 1
1 653 . 6 1 1 A 74 74 GLY CA C 52 44.990 45.225 -0.235 1
1 654 . 6 1 1 A 74 74 GLY N N 52 103.501 106.272 -2.771 1
1 655 . 6 1 1 A 75 75 ARG H H 53 7.816 7.601 0.215 1
1 656 . 6 1 1 A 75 75 ARG HA H 53 4.555 4.422 0.133 1
1 663 . 6 1 1 A 75 75 ARG C C 53 176.321 175.152 1.169 1
1 664 . 6 1 1 A 75 75 ARG CA C 53 54.590 55.917 -1.327 1
1 665 . 6 1 1 A 75 75 ARG CB C 53 32.620 31.416 1.204 1
1 668 . 6 1 1 A 75 75 ARG N N 53 121.834 120.076 1.758 1
1 669 . 6 1 1 A 76 76 LEU H H 54 8.470 8.490 -0.020 1
1 670 . 6 1 1 A 76 76 LEU HA H 54 4.500 4.876 -0.376 1
1 680 . 6 1 1 A 76 76 LEU C C 54 179.639 174.697 4.942 1
1 681 . 6 1 1 A 76 76 LEU CA C 54 55.260 53.834 1.426 1
1 682 . 6 1 1 A 76 76 LEU CB C 54 42.210 44.490 -2.280 1
1 686 . 6 1 1 A 76 76 LEU N N 54 127.239 124.270 2.969 1
1 687 . 6 1 1 A 77 77 LEU H H 55 8.863 9.159 -0.296 1
1 688 . 6 1 1 A 77 77 LEU HA H 55 4.605 4.839 -0.234 1
1 698 . 6 1 1 A 77 77 LEU CA C 55 52.230 51.347 0.883 1
1 699 . 6 1 1 A 77 77 LEU CB C 55 43.090 42.419 0.671 1
1 703 . 6 1 1 A 77 77 LEU N N 55 127.741 128.404 -0.663 1
1 704 . 6 1 1 A 78 78 PRO HA H 56 4.708 4.709 -0.001 1
1 711 . 6 1 1 A 78 78 PRO C C 56 179.519 176.913 2.606 1
1 712 . 6 1 1 A 78 78 PRO CA C 56 61.780 62.203 -0.423 1
1 713 . 6 1 1 A 78 78 PRO CB C 56 32.600 32.691 -0.091 1
1 716 . 6 1 1 A 79 79 ASP H H 57 8.109 8.693 -0.584 1
1 717 . 6 1 1 A 79 79 ASP HA H 57 4.122 4.222 -0.100 1
1 720 . 6 1 1 A 79 79 ASP C C 57 179.782 177.984 1.798 1
1 721 . 6 1 1 A 79 79 ASP CA C 57 57.380 56.404 0.976 1
1 722 . 6 1 1 A 79 79 ASP CB C 57 41.200 40.051 1.149 1
1 723 . 6 1 1 A 79 79 ASP N N 57 116.504 121.651 -5.147 1
1 724 . 6 1 1 A 80 80 HIS H H 58 7.815 7.801 0.014 1
1 725 . 6 1 1 A 80 80 HIS HA H 58 4.519 4.434 0.085 1
1 730 . 6 1 1 A 80 80 HIS C C 58 177.668 175.380 2.288 1
1 731 . 6 1 1 A 80 80 HIS CA C 58 57.110 58.151 -1.041 1
1 732 . 6 1 1 A 80 80 HIS CB C 58 30.770 29.037 1.733 1
1 735 . 6 1 1 A 80 80 HIS N N 58 112.239 114.997 -2.758 1
1 736 . 6 1 1 A 81 81 LEU H H 59 6.281 7.080 -0.799 1
1 737 . 6 1 1 A 81 81 LEU HA H 59 4.157 4.713 -0.556 1
1 747 . 6 1 1 A 81 81 LEU C C 59 178.501 176.729 1.772 1
1 748 . 6 1 1 A 81 81 LEU CA C 59 53.970 52.976 0.994 1
1 749 . 6 1 1 A 81 81 LEU CB C 59 43.360 44.330 -0.970 1
1 753 . 6 1 1 A 81 81 LEU N N 59 120.531 117.194 3.337 1
1 754 . 6 1 1 A 82 82 GLN H H 60 8.863 8.850 0.013 1
1 755 . 6 1 1 A 82 82 GLN HA H 60 4.891 4.398 0.493 1
1 762 . 6 1 1 A 82 82 GLN C C 60 180.417 177.621 2.796 1
1 763 . 6 1 1 A 82 82 GLN CA C 60 54.880 55.649 -0.769 1
1 764 . 6 1 1 A 82 82 GLN CB C 60 31.480 29.449 2.031 1
1 766 . 6 1 1 A 82 82 GLN N N 60 118.014 119.756 -1.742 1
1 768 . 6 1 1 A 83 83 LEU H H 61 8.688 8.511 0.177 1
1 769 . 6 1 1 A 83 83 LEU HA H 61 3.705 3.816 -0.111 1
1 779 . 6 1 1 A 83 83 LEU C C 61 181.775 178.665 3.110 1
1 780 . 6 1 1 A 83 83 LEU CA C 61 58.510 58.019 0.491 1
1 781 . 6 1 1 A 83 83 LEU CB C 61 40.330 41.374 -1.044 1
1 785 . 6 1 1 A 83 83 LEU N N 61 121.910 124.105 -2.195 1
1 786 . 6 1 1 A 84 84 LYS H H 62 8.525 7.860 0.665 1
1 787 . 6 1 1 A 84 84 LYS HA H 62 3.972 4.011 -0.039 1
1 796 . 6 1 1 A 84 84 LYS C C 62 177.865 178.206 -0.341 1
1 797 . 6 1 1 A 84 84 LYS CA C 62 57.690 58.994 -1.304 1
1 798 . 6 1 1 A 84 84 LYS CB C 62 31.440 32.032 -0.592 1
1 802 . 6 1 1 A 84 84 LYS N N 62 115.896 117.484 -1.588 1
1 803 . 6 1 1 A 85 85 ASP H H 63 7.598 7.835 -0.237 1
1 804 . 6 1 1 A 85 85 ASP HA H 63 4.710 4.393 0.317 1
1 807 . 6 1 1 A 85 85 ASP C C 63 177.307 177.493 -0.186 1
1 808 . 6 1 1 A 85 85 ASP CA C 63 55.460 57.074 -1.614 1
1 809 . 6 1 1 A 85 85 ASP CB C 63 42.000 41.825 0.175 1
1 810 . 6 1 1 A 85 85 ASP N N 63 118.917 119.547 -0.630 1
1 811 . 6 1 1 A 86 86 ILE H H 64 7.417 7.301 0.116 1
1 812 . 6 1 1 A 86 86 ILE HA H 64 4.027 4.109 -0.082 1
1 822 . 6 1 1 A 86 86 ILE C C 64 177.055 176.937 0.118 1
1 823 . 6 1 1 A 86 86 ILE CA C 64 62.150 62.577 -0.427 1
1 824 . 6 1 1 A 86 86 ILE CB C 64 42.670 39.347 3.323 1
1 828 . 6 1 1 A 86 86 ILE N N 64 117.599 116.946 0.653 1
1 829 . 6 1 1 A 87 87 LEU H H 65 7.399 7.407 -0.008 1
1 830 . 6 1 1 A 87 87 LEU HA H 65 3.695 3.928 -0.233 1
1 840 . 6 1 1 A 87 87 LEU C C 65 179.409 177.152 2.257 1
1 841 . 6 1 1 A 87 87 LEU CA C 65 55.040 53.982 1.058 1
1 842 . 6 1 1 A 87 87 LEU CB C 65 40.910 40.950 -0.040 1
1 846 . 6 1 1 A 87 87 LEU N N 65 116.948 119.307 -2.359 1
1 847 . 6 1 1 A 88 88 ARG H H 66 7.954 7.479 0.475 1
1 848 . 6 1 1 A 88 88 ARG HA H 66 4.227 4.123 0.104 1
1 855 . 6 1 1 A 88 88 ARG C C 66 179.333 178.884 0.449 1
1 856 . 6 1 1 A 88 88 ARG CA C 66 56.960 58.803 -1.843 1
1 857 . 6 1 1 A 88 88 ARG CB C 66 30.570 29.761 0.809 1
1 860 . 6 1 1 A 88 88 ARG N N 66 122.752 121.035 1.717 1
1 861 . 6 1 1 A 89 89 LYS H H 67 8.374 8.003 0.371 1
1 862 . 6 1 1 A 89 89 LYS HA H 67 3.948 4.061 -0.113 1
1 871 . 6 1 1 A 89 89 LYS C C 67 179.278 179.399 -0.121 1
1 872 . 6 1 1 A 89 89 LYS CA C 67 58.560 59.520 -0.960 1
1 873 . 6 1 1 A 89 89 LYS CB C 67 32.620 32.220 0.400 1
1 877 . 6 1 1 A 89 89 LYS N N 67 124.661 119.022 5.639 1
1 878 . 6 1 1 A 90 90 GLN H H 68 8.616 8.188 0.428 1
1 879 . 6 1 1 A 90 90 GLN HA H 68 4.169 4.149 0.020 1
1 886 . 6 1 1 A 90 90 GLN C C 68 177.778 176.039 1.739 1
1 887 . 6 1 1 A 90 90 GLN CA C 68 56.670 57.342 -0.672 1
1 888 . 6 1 1 A 90 90 GLN CB C 68 28.230 28.964 -0.734 1
1 890 . 6 1 1 A 90 90 GLN N N 68 115.896 118.563 -2.667 1
1 892 . 6 1 1 A 91 91 ASP H H 69 7.319 8.407 -1.088 1
1 893 . 6 1 1 A 91 91 ASP HA H 69 4.523 4.871 -0.348 1
1 896 . 6 1 1 A 91 91 ASP C C 69 177.164 176.271 0.893 1
1 897 . 6 1 1 A 91 91 ASP CA C 69 54.440 55.643 -1.203 1
1 898 . 6 1 1 A 91 91 ASP CB C 69 41.200 40.583 0.617 1
1 899 . 6 1 1 A 91 91 ASP N N 69 121.181 119.038 2.143 1
1 900 . 6 1 1 A 92 92 GLU H H 70 8.320 7.867 0.453 1
1 901 . 6 1 1 A 92 92 GLU HA H 70 3.892 4.253 -0.361 1
1 906 . 6 1 1 A 92 92 GLU C C 70 177.657 175.644 2.013 1
1 907 . 6 1 1 A 92 92 GLU CA C 70 57.260 58.078 -0.818 1
1 908 . 6 1 1 A 92 92 GLU CB C 70 30.750 31.075 -0.325 1
1 910 . 6 1 1 A 92 92 GLU N N 70 120.205 118.156 2.049 1
1 911 . 6 1 1 A 93 93 TYR H H 71 7.251 7.793 -0.542 1
1 912 . 6 1 1 A 93 93 TYR HA H 71 4.550 5.721 -1.171 1
1 919 . 6 1 1 A 93 93 TYR C C 71 175.861 173.742 2.119 1
1 920 . 6 1 1 A 93 93 TYR CA C 71 55.550 55.708 -0.158 1
1 921 . 6 1 1 A 93 93 TYR CB C 71 39.680 42.699 -3.019 1
1 924 . 6 1 1 A 93 93 TYR N N 71 115.349 114.386 0.963 1
1 925 . 6 1 1 A 94 94 HIS H H 72 7.991 8.608 -0.617 1
1 926 . 6 1 1 A 94 94 HIS HA H 72 5.034 5.122 -0.088 1
1 930 . 6 1 1 A 94 94 HIS C C 72 176.157 174.217 1.940 1
1 931 . 6 1 1 A 94 94 HIS CA C 72 54.990 54.364 0.626 1
1 932 . 6 1 1 A 94 94 HIS CB C 72 33.910 33.203 0.707 1
1 934 . 6 1 1 A 94 94 HIS N N 72 120.146 118.468 1.678 1
1 935 . 6 1 1 A 95 95 MET H H 73 9.227 9.156 0.071 1
1 936 . 6 1 1 A 95 95 MET HA H 73 5.306 5.069 0.237 1
1 941 . 6 1 1 A 95 95 MET C C 73 176.891 175.467 1.424 1
1 942 . 6 1 1 A 95 95 MET CA C 73 54.500 54.174 0.326 1
1 943 . 6 1 1 A 95 95 MET CB C 73 33.690 33.620 0.070 1
1 945 . 6 1 1 A 95 95 MET N N 73 124.691 123.740 0.951 1
1 946 . 6 1 1 A 96 96 VAL H H 74 9.070 9.102 -0.032 1
1 947 . 6 1 1 A 96 96 VAL HA H 74 4.719 4.950 -0.231 1
1 955 . 6 1 1 A 96 96 VAL C C 74 175.653 175.041 0.612 1
1 956 . 6 1 1 A 96 96 VAL CA C 74 60.790 61.304 -0.514 1
1 957 . 6 1 1 A 96 96 VAL CB C 74 35.290 34.217 1.073 1
1 960 . 6 1 1 A 96 96 VAL N N 74 125.298 125.002 0.296 1
1 961 . 6 1 1 A 97 97 HIS H H 75 9.197 9.206 -0.009 1
1 962 . 6 1 1 A 97 97 HIS HA H 75 5.213 5.391 -0.178 1
1 966 . 6 1 1 A 97 97 HIS C C 75 176.245 174.023 2.222 1
1 967 . 6 1 1 A 97 97 HIS CA C 75 55.800 54.927 0.873 1
1 968 . 6 1 1 A 97 97 HIS CB C 75 32.170 29.799 2.371 1
1 970 . 6 1 1 A 97 97 HIS N N 75 125.299 126.320 -1.021 1
1 971 . 6 1 1 A 98 98 LEU H H 76 8.423 8.697 -0.274 1
1 972 . 6 1 1 A 98 98 LEU HA H 76 5.059 4.429 0.630 1
1 982 . 6 1 1 A 98 98 LEU C C 76 177.592 176.125 1.467 1
1 983 . 6 1 1 A 98 98 LEU CA C 76 54.150 54.317 -0.167 1
1 984 . 6 1 1 A 98 98 LEU CB C 76 43.540 41.554 1.986 1
1 988 . 6 1 1 A 98 98 LEU N N 76 126.291 127.128 -0.837 1
1 13 . 7 1 1 A 24 24 VAL H H 2 8.008 8.091 -0.083 1
1 14 . 7 1 1 A 24 24 VAL HA H 2 4.297 4.070 0.227 1
1 22 . 7 1 1 A 24 24 VAL C C 2 175.571 175.661 -0.090 1
1 23 . 7 1 1 A 24 24 VAL CA C 2 60.030 62.048 -2.018 1
1 24 . 7 1 1 A 24 24 VAL CB C 2 34.710 31.398 3.312 1
1 27 . 7 1 1 A 24 24 VAL N N 2 118.399 122.148 -3.749 1
1 28 . 7 1 1 A 25 25 THR H H 3 8.520 8.668 -0.148 1
1 29 . 7 1 1 A 25 25 THR HA H 3 4.738 4.413 0.325 1
1 34 . 7 1 1 A 25 25 THR C C 3 175.275 173.026 2.249 1
1 35 . 7 1 1 A 25 25 THR CA C 3 62.350 62.878 -0.528 1
1 36 . 7 1 1 A 25 25 THR CB C 3 69.930 68.091 1.839 1
1 38 . 7 1 1 A 25 25 THR N N 3 121.522 122.384 -0.862 1
1 39 . 7 1 1 A 26 26 LEU H H 4 8.929 8.885 0.044 1
1 40 . 7 1 1 A 26 26 LEU HA H 4 5.102 4.952 0.150 1
1 50 . 7 1 1 A 26 26 LEU C C 4 176.809 175.136 1.673 1
1 51 . 7 1 1 A 26 26 LEU CA C 4 52.850 53.767 -0.917 1
1 52 . 7 1 1 A 26 26 LEU CB C 4 45.140 43.987 1.153 1
1 56 . 7 1 1 A 26 26 LEU N N 4 127.076 128.880 -1.804 1
1 57 . 7 1 1 A 27 27 ILE H H 5 8.990 8.798 0.192 1
1 58 . 7 1 1 A 27 27 ILE HA H 5 4.682 4.474 0.208 1
1 68 . 7 1 1 A 27 27 ILE C C 5 176.962 175.437 1.525 1
1 69 . 7 1 1 A 27 27 ILE CA C 5 59.810 61.285 -1.475 1
1 70 . 7 1 1 A 27 27 ILE CB C 5 38.590 36.902 1.688 1
1 74 . 7 1 1 A 27 27 ILE N N 5 122.974 127.729 -4.755 1
1 75 . 7 1 1 A 28 28 ILE H H 6 9.288 8.817 0.471 1
1 76 . 7 1 1 A 28 28 ILE HA H 6 5.025 4.592 0.433 1
1 86 . 7 1 1 A 28 28 ILE C C 6 178.889 175.478 3.411 1
1 87 . 7 1 1 A 28 28 ILE CA C 6 57.620 61.047 -3.427 1
1 88 . 7 1 1 A 28 28 ILE CB C 6 36.680 37.490 -0.810 1
1 92 . 7 1 1 A 28 28 ILE N N 6 125.520 129.076 -3.556 1
1 93 . 7 1 1 A 29 29 LYS H H 7 8.832 8.635 0.197 1
1 94 . 7 1 1 A 29 29 LYS HA H 7 4.597 4.865 -0.268 1
1 103 . 7 1 1 A 29 29 LYS C C 7 176.414 176.030 0.384 1
1 104 . 7 1 1 A 29 29 LYS CA C 7 54.240 54.106 0.134 1
1 105 . 7 1 1 A 29 29 LYS CB C 7 34.050 34.806 -0.756 1
1 109 . 7 1 1 A 29 29 LYS N N 7 130.704 127.515 3.189 1
1 110 . 7 1 1 A 30 30 ALA H H 8 9.021 8.846 0.175 1
1 111 . 7 1 1 A 30 30 ALA HA H 8 5.221 4.781 0.440 1
1 115 . 7 1 1 A 30 30 ALA CA C 8 49.220 50.697 -1.477 1
1 116 . 7 1 1 A 30 30 ALA CB C 8 20.620 18.965 1.655 1
1 117 . 7 1 1 A 30 30 ALA N N 8 126.869 123.956 2.913 1
1 118 . 7 1 1 A 31 31 PRO HA H 9 4.445 4.372 0.073 1
1 125 . 7 1 1 A 31 31 PRO CA C 9 63.990 65.287 -1.297 1
1 126 . 7 1 1 A 31 31 PRO CB C 9 31.860 31.844 0.016 1
1 129 . 7 1 1 A 32 32 ASN HA H 10 4.531 4.862 -0.331 1
1 134 . 7 1 1 A 32 32 ASN C C 10 176.666 176.746 -0.080 1
1 135 . 7 1 1 A 32 32 ASN CA C 10 53.210 54.308 -1.098 1
1 136 . 7 1 1 A 32 32 ASN CB C 10 38.150 39.695 -1.545 1
1 138 . 7 1 1 A 33 33 GLN H H 11 8.123 7.993 0.130 1
1 139 . 7 1 1 A 33 33 GLN N N 11 114.038 113.270 0.768 1
1 140 . 7 1 1 A 34 34 LYS HA H 12 3.817 3.927 -0.110 1
1 149 . 7 1 1 A 34 34 LYS C C 12 178.002 176.253 1.749 1
1 150 . 7 1 1 A 34 34 LYS CA C 12 58.290 59.108 -0.818 1
1 151 . 7 1 1 A 34 34 LYS CB C 12 32.570 32.696 -0.126 1
1 155 . 7 1 1 A 35 35 TYR H H 13 6.845 7.732 -0.887 1
1 156 . 7 1 1 A 35 35 TYR HA H 13 4.654 5.058 -0.404 1
1 163 . 7 1 1 A 35 35 TYR CA C 13 56.060 56.481 -0.421 1
1 164 . 7 1 1 A 35 35 TYR CB C 13 41.000 42.822 -1.822 1
1 167 . 7 1 1 A 35 35 TYR N N 13 112.988 116.276 -3.288 1
1 168 . 7 1 1 A 36 36 SER HA H 14 4.376 4.653 -0.277 1
1 171 . 7 1 1 A 36 36 SER C C 14 177.170 173.708 3.462 1
1 172 . 7 1 1 A 36 36 SER CA C 14 58.160 58.045 0.115 1
1 173 . 7 1 1 A 36 36 SER CB C 14 64.000 64.306 -0.306 1
1 174 . 7 1 1 A 37 37 ASP H H 15 8.910 8.606 0.304 1
1 175 . 7 1 1 A 37 37 ASP HA H 15 4.622 5.207 -0.585 1
1 178 . 7 1 1 A 37 37 ASP C C 15 178.221 174.825 3.396 1
1 179 . 7 1 1 A 37 37 ASP CA C 15 55.680 53.160 2.520 1
1 180 . 7 1 1 A 37 37 ASP CB C 15 39.640 40.510 -0.870 1
1 181 . 7 1 1 A 37 37 ASP N N 15 125.921 120.861 5.060 1
1 182 . 7 1 1 A 38 38 GLN H H 16 8.224 8.355 -0.131 1
1 183 . 7 1 1 A 38 38 GLN HA H 16 4.653 4.649 0.004 1
1 190 . 7 1 1 A 38 38 GLN C C 16 176.655 175.826 0.829 1
1 191 . 7 1 1 A 38 38 GLN CA C 16 53.230 55.916 -2.686 1
1 192 . 7 1 1 A 38 38 GLN CB C 16 31.390 29.439 1.951 1
1 194 . 7 1 1 A 38 38 GLN N N 16 121.123 125.358 -4.235 1
1 196 . 7 1 1 A 39 39 THR H H 17 8.733 8.464 0.269 1
1 197 . 7 1 1 A 39 39 THR HA H 17 4.936 4.513 0.423 1
1 202 . 7 1 1 A 39 39 THR C C 17 176.173 173.992 2.181 1
1 203 . 7 1 1 A 39 39 THR CA C 17 62.170 61.732 0.438 1
1 204 . 7 1 1 A 39 39 THR CB C 17 69.300 68.376 0.924 1
1 206 . 7 1 1 A 39 39 THR N N 17 120.324 116.521 3.803 1
1 207 . 7 1 1 A 40 40 ILE H H 18 9.424 8.712 0.712 1
1 208 . 7 1 1 A 40 40 ILE HA H 18 4.592 4.548 0.044 1
1 218 . 7 1 1 A 40 40 ILE C C 18 176.184 175.349 0.835 1
1 219 . 7 1 1 A 40 40 ILE CA C 18 58.200 61.046 -2.846 1
1 220 . 7 1 1 A 40 40 ILE CB C 18 41.130 38.164 2.966 1
1 224 . 7 1 1 A 40 40 ILE N N 18 126.321 128.487 -2.166 1
1 225 . 7 1 1 A 41 41 SER H H 19 8.518 8.631 -0.113 1
1 226 . 7 1 1 A 41 41 SER HA H 19 4.939 4.637 0.302 1
1 229 . 7 1 1 A 41 41 SER C C 19 175.210 174.449 0.761 1
1 230 . 7 1 1 A 41 41 SER CA C 19 57.160 58.141 -0.981 1
1 231 . 7 1 1 A 41 41 SER CB C 19 63.660 63.519 0.141 1
1 232 . 7 1 1 A 41 41 SER N N 19 120.959 122.738 -1.779 1
1 233 . 7 1 1 A 42 42 CYS H H 20 8.444 8.482 -0.038 1
1 234 . 7 1 1 A 42 42 CYS HA H 20 3.546 5.110 -1.564 1
1 237 . 7 1 1 A 42 42 CYS CA C 20 55.410 56.428 -1.018 1
1 238 . 7 1 1 A 42 42 CYS CB C 20 28.570 31.177 -2.607 1
1 239 . 7 1 1 A 42 42 CYS N N 20 120.248 122.350 -2.102 1
1 240 . 7 1 1 A 43 43 PHE HA H 21 4.580 4.852 -0.272 1
1 248 . 7 1 1 A 43 43 PHE C C 21 177.980 175.680 2.300 1
1 249 . 7 1 1 A 43 43 PHE CA C 21 56.490 56.043 0.447 1
1 250 . 7 1 1 A 43 43 PHE CB C 21 42.360 41.974 0.386 1
1 254 . 7 1 1 A 44 44 LEU H H 22 9.159 8.866 0.293 1
1 255 . 7 1 1 A 44 44 LEU HA H 22 3.779 4.179 -0.400 1
1 265 . 7 1 1 A 44 44 LEU C C 22 178.177 178.269 -0.092 1
1 266 . 7 1 1 A 44 44 LEU CA C 22 56.980 56.422 0.558 1
1 267 . 7 1 1 A 44 44 LEU CB C 22 42.090 41.404 0.686 1
1 271 . 7 1 1 A 44 44 LEU N N 22 120.130 124.931 -4.801 1
1 272 . 7 1 1 A 45 45 ASN H H 23 8.058 8.020 0.038 1
1 273 . 7 1 1 A 45 45 ASN HA H 23 4.650 4.394 0.256 1
1 276 . 7 1 1 A 45 45 ASN C C 23 178.364 176.254 2.110 1
1 277 . 7 1 1 A 45 45 ASN CA C 23 52.880 56.069 -3.189 1
1 278 . 7 1 1 A 45 45 ASN CB C 23 37.320 37.655 -0.335 1
1 279 . 7 1 1 A 45 45 ASN N N 23 112.017 115.736 -3.719 1
1 280 . 7 1 1 A 46 46 TRP H H 24 7.857 7.475 0.382 1
1 281 . 7 1 1 A 46 46 TRP HA H 24 4.712 4.757 -0.045 1
1 290 . 7 1 1 A 46 46 TRP C C 24 178.802 176.466 2.336 1
1 291 . 7 1 1 A 46 46 TRP CA C 24 57.240 57.739 -0.499 1
1 292 . 7 1 1 A 46 46 TRP CB C 24 29.250 30.456 -1.206 1
1 298 . 7 1 1 A 46 46 TRP N N 24 121.301 119.347 1.954 1
1 300 . 7 1 1 A 47 47 THR H H 25 7.473 9.013 -1.540 1
1 301 . 7 1 1 A 47 47 THR HA H 25 5.097 4.736 0.361 1
1 306 . 7 1 1 A 47 47 THR C C 25 178.375 176.485 1.890 1
1 307 . 7 1 1 A 47 47 THR CA C 25 59.940 60.898 -0.958 1
1 308 . 7 1 1 A 47 47 THR CB C 25 71.080 71.074 0.006 1
1 310 . 7 1 1 A 47 47 THR N N 25 109.055 114.517 -5.462 1
1 311 . 7 1 1 A 48 48 VAL H H 26 8.349 8.803 -0.454 1
1 312 . 7 1 1 A 48 48 VAL HA H 26 3.433 3.498 -0.065 1
1 320 . 7 1 1 A 48 48 VAL C C 26 180.548 178.391 2.157 1
1 321 . 7 1 1 A 48 48 VAL CA C 26 66.460 66.562 -0.102 1
1 322 . 7 1 1 A 48 48 VAL CB C 26 31.540 31.547 -0.007 1
1 325 . 7 1 1 A 48 48 VAL N N 26 123.048 122.810 0.238 1
1 326 . 7 1 1 A 49 49 GLY H H 27 9.099 8.094 1.005 1
1 327 . 7 1 1 A 49 49 GLY HA2 H 27 3.895 3.777 0.118 1
1 328 . 7 1 1 A 49 49 GLY HA3 H 27 3.512 3.784 -0.272 1
1 329 . 7 1 1 A 49 49 GLY C C 27 177.909 175.488 2.421 1
1 330 . 7 1 1 A 49 49 GLY CA C 27 47.100 47.188 -0.088 1
1 331 . 7 1 1 A 49 49 GLY N N 27 107.086 107.349 -0.263 1
1 332 . 7 1 1 A 50 50 LYS H H 28 7.937 7.991 -0.054 1
1 333 . 7 1 1 A 50 50 LYS HA H 28 3.907 3.902 0.005 1
1 342 . 7 1 1 A 50 50 LYS C C 28 180.866 179.208 1.658 1
1 343 . 7 1 1 A 50 50 LYS CA C 28 59.000 59.311 -0.311 1
1 344 . 7 1 1 A 50 50 LYS CB C 28 31.730 32.197 -0.467 1
1 348 . 7 1 1 A 50 50 LYS N N 28 125.227 122.157 3.070 1
1 349 . 7 1 1 A 51 51 LEU H H 29 8.364 7.982 0.382 1
1 350 . 7 1 1 A 51 51 LEU HA H 29 4.357 4.085 0.272 1
1 360 . 7 1 1 A 51 51 LEU C C 29 180.056 178.227 1.829 1
1 361 . 7 1 1 A 51 51 LEU CA C 29 58.360 57.760 0.600 1
1 362 . 7 1 1 A 51 51 LEU CB C 29 41.510 41.604 -0.094 1
1 366 . 7 1 1 A 51 51 LEU N N 29 122.366 121.199 1.167 1
1 367 . 7 1 1 A 52 52 LYS H H 30 8.711 8.051 0.660 1
1 368 . 7 1 1 A 52 52 LYS HA H 30 4.542 4.049 0.493 1
1 377 . 7 1 1 A 52 52 LYS C C 30 182.257 179.738 2.519 1
1 378 . 7 1 1 A 52 52 LYS CA C 30 59.310 59.063 0.247 1
1 379 . 7 1 1 A 52 52 LYS CB C 30 33.380 31.729 1.651 1
1 383 . 7 1 1 A 52 52 LYS N N 30 119.050 119.584 -0.534 1
1 384 . 7 1 1 A 53 53 THR H H 31 8.130 7.965 0.165 1
1 385 . 7 1 1 A 53 53 THR HA H 31 3.655 3.927 -0.272 1
1 390 . 7 1 1 A 53 53 THR C C 31 179.092 176.127 2.965 1
1 391 . 7 1 1 A 53 53 THR CA C 31 66.890 66.662 0.228 1
1 392 . 7 1 1 A 53 53 THR CB C 31 68.370 68.276 0.094 1
1 394 . 7 1 1 A 53 53 THR N N 31 118.206 117.582 0.624 1
1 395 . 7 1 1 A 54 54 HIS H H 32 8.310 7.687 0.623 1
1 396 . 7 1 1 A 54 54 HIS HA H 32 4.566 4.180 0.386 1
1 400 . 7 1 1 A 54 54 HIS C C 32 180.735 176.924 3.811 1
1 401 . 7 1 1 A 54 54 HIS CA C 32 60.010 60.044 -0.034 1
1 402 . 7 1 1 A 54 54 HIS CB C 32 31.620 29.380 2.240 1
1 404 . 7 1 1 A 54 54 HIS N N 32 124.425 122.832 1.593 1
1 405 . 7 1 1 A 55 55 LEU H H 33 9.036 8.215 0.821 1
1 406 . 7 1 1 A 55 55 LEU HA H 33 3.958 3.878 0.080 1
1 416 . 7 1 1 A 55 55 LEU C C 33 180.877 179.425 1.452 1
1 417 . 7 1 1 A 55 55 LEU CA C 33 58.180 57.795 0.385 1
1 418 . 7 1 1 A 55 55 LEU CB C 33 40.710 41.228 -0.518 1
1 422 . 7 1 1 A 55 55 LEU N N 33 119.746 120.376 -0.630 1
1 423 . 7 1 1 A 56 56 SER H H 34 8.266 7.997 0.269 1
1 424 . 7 1 1 A 56 56 SER HA H 34 4.159 4.169 -0.010 1
1 427 . 7 1 1 A 56 56 SER C C 34 176.015 176.119 -0.104 1
1 428 . 7 1 1 A 56 56 SER CA C 34 61.590 61.108 0.482 1
1 429 . 7 1 1 A 56 56 SER CB C 34 63.600 63.231 0.369 1
1 430 . 7 1 1 A 56 56 SER N N 34 114.534 114.072 0.462 1
1 431 . 7 1 1 A 57 57 ASN H H 35 7.273 7.523 -0.250 1
1 432 . 7 1 1 A 57 57 ASN HA H 35 4.799 4.611 0.188 1
1 437 . 7 1 1 A 57 57 ASN C C 35 179.004 177.141 1.863 1
1 438 . 7 1 1 A 57 57 ASN CA C 35 54.520 55.465 -0.945 1
1 439 . 7 1 1 A 57 57 ASN CB C 35 40.890 39.069 1.821 1
1 440 . 7 1 1 A 57 57 ASN N N 35 115.349 118.962 -3.613 1
1 442 . 7 1 1 A 58 58 VAL H H 36 7.810 7.278 0.532 1
1 443 . 7 1 1 A 58 58 VAL HA H 36 4.309 3.974 0.335 1
1 451 . 7 1 1 A 58 58 VAL C C 36 178.446 175.812 2.634 1
1 452 . 7 1 1 A 58 58 VAL CA C 36 62.350 64.338 -1.988 1
1 453 . 7 1 1 A 58 58 VAL CB C 36 32.980 32.130 0.850 1
1 456 . 7 1 1 A 58 58 VAL N N 36 110.874 112.209 -1.335 1
1 457 . 7 1 1 A 59 59 TYR H H 37 8.896 7.685 1.211 1
1 458 . 7 1 1 A 59 59 TYR HA H 37 4.482 4.579 -0.097 1
1 465 . 7 1 1 A 59 59 TYR CA C 37 57.740 57.193 0.547 1
1 466 . 7 1 1 A 59 59 TYR CB C 37 40.440 39.735 0.705 1
1 469 . 7 1 1 A 59 59 TYR N N 37 127.773 123.499 4.274 1
1 470 . 7 1 1 A 60 60 PRO HA H 38 3.956 4.160 -0.204 1
1 477 . 7 1 1 A 60 60 PRO C C 38 178.511 177.627 0.884 1
1 478 . 7 1 1 A 60 60 PRO CA C 38 65.560 64.864 0.696 1
1 479 . 7 1 1 A 60 60 PRO CB C 38 31.860 31.410 0.450 1
1 482 . 7 1 1 A 61 61 SER H H 39 6.571 7.731 -1.160 1
1 483 . 7 1 1 A 61 61 SER HA H 39 4.238 4.457 -0.219 1
1 486 . 7 1 1 A 61 61 SER C C 39 175.774 174.131 1.643 1
1 487 . 7 1 1 A 61 61 SER CA C 39 58.290 60.695 -2.405 1
1 488 . 7 1 1 A 61 61 SER CB C 39 63.420 63.876 -0.456 1
1 489 . 7 1 1 A 61 61 SER N N 39 108.382 111.828 -3.446 1
1 490 . 7 1 1 A 62 62 LYS H H 40 8.384 7.835 0.549 1
1 491 . 7 1 1 A 62 62 LYS HA H 40 3.922 3.979 -0.057 1
1 500 . 7 1 1 A 62 62 LYS CA C 40 56.710 56.724 -0.014 1
1 501 . 7 1 1 A 62 62 LYS CB C 40 30.640 30.459 0.181 1
1 505 . 7 1 1 A 62 62 LYS N N 40 118.443 119.092 -0.649 1
1 506 . 7 1 1 A 63 63 PRO HA H 41 4.284 4.407 -0.123 1
1 513 . 7 1 1 A 63 63 PRO C C 41 179.464 177.065 2.399 1
1 514 . 7 1 1 A 63 63 PRO CA C 41 62.620 63.255 -0.635 1
1 515 . 7 1 1 A 63 63 PRO CB C 41 31.640 31.927 -0.287 1
1 518 . 7 1 1 A 64 64 LEU H H 42 8.689 8.562 0.127 1
1 519 . 7 1 1 A 64 64 LEU HA H 42 4.212 4.408 -0.196 1
1 529 . 7 1 1 A 64 64 LEU C C 42 182.476 178.658 3.818 1
1 530 . 7 1 1 A 64 64 LEU CA C 42 54.750 54.159 0.591 1
1 531 . 7 1 1 A 64 64 LEU CB C 42 41.360 41.659 -0.299 1
1 535 . 7 1 1 A 64 64 LEU N N 42 122.677 123.281 -0.604 1
1 536 . 7 1 1 A 65 65 THR H H 43 8.858 8.826 0.032 1
1 537 . 7 1 1 A 65 65 THR HA H 43 3.779 3.879 -0.100 1
1 542 . 7 1 1 A 65 65 THR C C 43 180.078 175.108 4.970 1
1 543 . 7 1 1 A 65 65 THR CA C 43 66.310 65.736 0.574 1
1 544 . 7 1 1 A 65 65 THR CB C 43 68.100 68.219 -0.119 1
1 546 . 7 1 1 A 65 65 THR N N 43 116.000 118.587 -2.587 1
1 547 . 7 1 1 A 66 66 LYS H H 44 7.921 8.565 -0.644 1
1 548 . 7 1 1 A 66 66 LYS HA H 44 4.125 4.131 -0.006 1
1 557 . 7 1 1 A 66 66 LYS C C 44 177.953 176.610 1.343 1
1 558 . 7 1 1 A 66 66 LYS CA C 44 57.730 58.137 -0.407 1
1 559 . 7 1 1 A 66 66 LYS CB C 44 31.890 32.311 -0.421 1
1 563 . 7 1 1 A 66 66 LYS N N 44 117.614 120.760 -3.146 1
1 564 . 7 1 1 A 67 67 ASP H H 45 7.394 7.682 -0.288 1
1 565 . 7 1 1 A 67 67 ASP HA H 45 4.746 4.719 0.027 1
1 568 . 7 1 1 A 67 67 ASP C C 45 177.876 175.823 2.053 1
1 569 . 7 1 1 A 67 67 ASP CA C 45 54.350 54.922 -0.572 1
1 570 . 7 1 1 A 67 67 ASP CB C 45 42.090 43.212 -1.122 1
1 571 . 7 1 1 A 67 67 ASP N N 45 118.443 117.831 0.612 1
1 572 . 7 1 1 A 68 68 GLN H H 46 7.143 7.887 -0.744 1
1 573 . 7 1 1 A 68 68 GLN HA H 46 4.054 4.749 -0.695 1
1 578 . 7 1 1 A 68 68 GLN C C 46 177.515 175.419 2.096 1
1 579 . 7 1 1 A 68 68 GLN CA C 46 56.750 55.103 1.647 1
1 580 . 7 1 1 A 68 68 GLN CB C 46 31.150 29.958 1.192 1
1 582 . 7 1 1 A 68 68 GLN N N 46 120.205 117.304 2.901 1
1 583 . 7 1 1 A 69 69 ARG H H 47 8.269 9.001 -0.732 1
1 584 . 7 1 1 A 69 69 ARG HA H 47 4.334 5.071 -0.737 1
1 591 . 7 1 1 A 69 69 ARG C C 47 175.708 174.720 0.988 1
1 592 . 7 1 1 A 69 69 ARG CA C 47 55.010 54.304 0.706 1
1 593 . 7 1 1 A 69 69 ARG CB C 47 31.390 33.944 -2.554 1
1 596 . 7 1 1 A 69 69 ARG N N 47 124.781 123.906 0.875 1
1 597 . 7 1 1 A 70 70 LEU H H 48 8.254 9.052 -0.798 1
1 598 . 7 1 1 A 70 70 LEU HA H 48 5.444 4.929 0.515 1
1 608 . 7 1 1 A 70 70 LEU C C 48 177.175 175.521 1.654 1
1 609 . 7 1 1 A 70 70 LEU CA C 48 52.810 53.394 -0.584 1
1 610 . 7 1 1 A 70 70 LEU CB C 48 45.100 42.933 2.167 1
1 614 . 7 1 1 A 70 70 LEU N N 48 122.071 122.569 -0.498 1
1 615 . 7 1 1 A 71 71 VAL H H 49 9.251 9.216 0.035 1
1 616 . 7 1 1 A 71 71 VAL HA H 49 4.889 4.966 -0.077 1
1 624 . 7 1 1 A 71 71 VAL C C 49 177.208 174.160 3.048 1
1 625 . 7 1 1 A 71 71 VAL CA C 49 60.570 61.289 -0.719 1
1 626 . 7 1 1 A 71 71 VAL CB C 49 34.580 32.931 1.649 1
1 629 . 7 1 1 A 71 71 VAL N N 49 122.797 125.705 -2.908 1
1 630 . 7 1 1 A 72 72 TYR H H 50 8.684 9.051 -0.367 1
1 631 . 7 1 1 A 72 72 TYR HA H 50 5.155 4.951 0.204 1
1 638 . 7 1 1 A 72 72 TYR CA C 50 56.060 57.306 -1.246 1
1 639 . 7 1 1 A 72 72 TYR CB C 50 43.140 40.619 2.521 1
1 642 . 7 1 1 A 72 72 TYR N N 50 126.349 128.973 -2.624 1
1 643 . 7 1 1 A 73 73 SER HA H 51 3.673 4.149 -0.476 1
1 646 . 7 1 1 A 73 73 SER C C 51 177.153 174.518 2.635 1
1 647 . 7 1 1 A 73 73 SER CA C 51 58.000 59.233 -1.233 1
1 648 . 7 1 1 A 73 73 SER CB C 51 62.190 61.647 0.543 1
1 649 . 7 1 1 A 74 74 GLY H H 52 8.209 8.258 -0.049 1
1 650 . 7 1 1 A 74 74 GLY HA2 H 52 4.030 3.945 0.085 1
1 651 . 7 1 1 A 74 74 GLY HA3 H 52 3.346 3.949 -0.603 1
1 652 . 7 1 1 A 74 74 GLY C C 52 175.259 174.194 1.065 1
1 653 . 7 1 1 A 74 74 GLY CA C 52 44.990 45.102 -0.112 1
1 654 . 7 1 1 A 74 74 GLY N N 52 103.501 105.083 -1.582 1
1 655 . 7 1 1 A 75 75 ARG H H 53 7.816 7.548 0.268 1
1 656 . 7 1 1 A 75 75 ARG HA H 53 4.555 4.447 0.108 1
1 663 . 7 1 1 A 75 75 ARG C C 53 176.321 175.059 1.262 1
1 664 . 7 1 1 A 75 75 ARG CA C 53 54.590 55.752 -1.162 1
1 665 . 7 1 1 A 75 75 ARG CB C 53 32.620 31.658 0.962 1
1 668 . 7 1 1 A 75 75 ARG N N 53 121.834 119.707 2.127 1
1 669 . 7 1 1 A 76 76 LEU H H 54 8.470 8.685 -0.215 1
1 670 . 7 1 1 A 76 76 LEU HA H 54 4.500 5.018 -0.518 1
1 680 . 7 1 1 A 76 76 LEU C C 54 179.639 174.685 4.954 1
1 681 . 7 1 1 A 76 76 LEU CA C 54 55.260 53.624 1.636 1
1 682 . 7 1 1 A 76 76 LEU CB C 54 42.210 44.558 -2.348 1
1 686 . 7 1 1 A 76 76 LEU N N 54 127.239 123.809 3.430 1
1 687 . 7 1 1 A 77 77 LEU H H 55 8.863 9.097 -0.234 1
1 688 . 7 1 1 A 77 77 LEU HA H 55 4.605 4.861 -0.256 1
1 698 . 7 1 1 A 77 77 LEU CA C 55 52.230 51.365 0.865 1
1 699 . 7 1 1 A 77 77 LEU CB C 55 43.090 42.595 0.495 1
1 703 . 7 1 1 A 77 77 LEU N N 55 127.741 128.388 -0.647 1
1 704 . 7 1 1 A 78 78 PRO HA H 56 4.708 4.585 0.123 1
1 711 . 7 1 1 A 78 78 PRO C C 56 179.519 177.129 2.390 1
1 712 . 7 1 1 A 78 78 PRO CA C 56 61.780 62.516 -0.736 1
1 713 . 7 1 1 A 78 78 PRO CB C 56 32.600 32.622 -0.022 1
1 716 . 7 1 1 A 79 79 ASP H H 57 8.109 8.635 -0.526 1
1 717 . 7 1 1 A 79 79 ASP HA H 57 4.122 4.242 -0.120 1
1 720 . 7 1 1 A 79 79 ASP C C 57 179.782 177.776 2.006 1
1 721 . 7 1 1 A 79 79 ASP CA C 57 57.380 56.465 0.915 1
1 722 . 7 1 1 A 79 79 ASP CB C 57 41.200 39.991 1.209 1
1 723 . 7 1 1 A 79 79 ASP N N 57 116.504 123.237 -6.733 1
1 724 . 7 1 1 A 80 80 HIS H H 58 7.815 7.614 0.201 1
1 725 . 7 1 1 A 80 80 HIS HA H 58 4.519 4.455 0.064 1
1 730 . 7 1 1 A 80 80 HIS C C 58 177.668 175.329 2.339 1
1 731 . 7 1 1 A 80 80 HIS CA C 58 57.110 57.631 -0.521 1
1 732 . 7 1 1 A 80 80 HIS CB C 58 30.770 29.208 1.562 1
1 735 . 7 1 1 A 80 80 HIS N N 58 112.239 114.910 -2.671 1
1 736 . 7 1 1 A 81 81 LEU H H 59 6.281 6.737 -0.456 1
1 737 . 7 1 1 A 81 81 LEU HA H 59 4.157 4.801 -0.644 1
1 747 . 7 1 1 A 81 81 LEU C C 59 178.501 176.613 1.888 1
1 748 . 7 1 1 A 81 81 LEU CA C 59 53.970 52.956 1.014 1
1 749 . 7 1 1 A 81 81 LEU CB C 59 43.360 44.266 -0.906 1
1 753 . 7 1 1 A 81 81 LEU N N 59 120.531 117.123 3.408 1
1 754 . 7 1 1 A 82 82 GLN H H 60 8.863 8.930 -0.067 1
1 755 . 7 1 1 A 82 82 GLN HA H 60 4.891 4.393 0.498 1
1 762 . 7 1 1 A 82 82 GLN C C 60 180.417 177.234 3.183 1
1 763 . 7 1 1 A 82 82 GLN CA C 60 54.880 55.789 -0.909 1
1 764 . 7 1 1 A 82 82 GLN CB C 60 31.480 29.319 2.161 1
1 766 . 7 1 1 A 82 82 GLN N N 60 118.014 119.997 -1.983 1
1 768 . 7 1 1 A 83 83 LEU H H 61 8.688 8.375 0.313 1
1 769 . 7 1 1 A 83 83 LEU HA H 61 3.705 3.908 -0.203 1
1 779 . 7 1 1 A 83 83 LEU C C 61 181.775 178.587 3.188 1
1 780 . 7 1 1 A 83 83 LEU CA C 61 58.510 58.044 0.466 1
1 781 . 7 1 1 A 83 83 LEU CB C 61 40.330 41.320 -0.990 1
1 785 . 7 1 1 A 83 83 LEU N N 61 121.910 123.295 -1.385 1
1 786 . 7 1 1 A 84 84 LYS H H 62 8.525 8.006 0.519 1
1 787 . 7 1 1 A 84 84 LYS HA H 62 3.972 4.008 -0.036 1
1 796 . 7 1 1 A 84 84 LYS C C 62 177.865 178.292 -0.427 1
1 797 . 7 1 1 A 84 84 LYS CA C 62 57.690 59.077 -1.387 1
1 798 . 7 1 1 A 84 84 LYS CB C 62 31.440 32.028 -0.588 1
1 802 . 7 1 1 A 84 84 LYS N N 62 115.896 117.486 -1.590 1
1 803 . 7 1 1 A 85 85 ASP H H 63 7.598 7.754 -0.156 1
1 804 . 7 1 1 A 85 85 ASP HA H 63 4.710 4.386 0.324 1
1 807 . 7 1 1 A 85 85 ASP C C 63 177.307 177.246 0.061 1
1 808 . 7 1 1 A 85 85 ASP CA C 63 55.460 56.451 -0.991 1
1 809 . 7 1 1 A 85 85 ASP CB C 63 42.000 41.419 0.581 1
1 810 . 7 1 1 A 85 85 ASP N N 63 118.917 119.553 -0.636 1
1 811 . 7 1 1 A 86 86 ILE H H 64 7.417 7.214 0.203 1
1 812 . 7 1 1 A 86 86 ILE HA H 64 4.027 3.915 0.112 1
1 822 . 7 1 1 A 86 86 ILE C C 64 177.055 177.271 -0.216 1
1 823 . 7 1 1 A 86 86 ILE CA C 64 62.150 63.371 -1.221 1
1 824 . 7 1 1 A 86 86 ILE CB C 64 42.670 38.779 3.891 1
1 828 . 7 1 1 A 86 86 ILE N N 64 117.599 117.043 0.556 1
1 829 . 7 1 1 A 87 87 LEU H H 65 7.399 7.436 -0.037 1
1 830 . 7 1 1 A 87 87 LEU HA H 65 3.695 3.830 -0.135 1
1 840 . 7 1 1 A 87 87 LEU C C 65 179.409 177.218 2.191 1
1 841 . 7 1 1 A 87 87 LEU CA C 65 55.040 54.237 0.803 1
1 842 . 7 1 1 A 87 87 LEU CB C 65 40.910 41.315 -0.405 1
1 846 . 7 1 1 A 87 87 LEU N N 65 116.948 119.511 -2.563 1
1 847 . 7 1 1 A 88 88 ARG H H 66 7.954 7.680 0.274 1
1 848 . 7 1 1 A 88 88 ARG HA H 66 4.227 4.025 0.202 1
1 855 . 7 1 1 A 88 88 ARG C C 66 179.333 178.653 0.680 1
1 856 . 7 1 1 A 88 88 ARG CA C 66 56.960 58.994 -2.034 1
1 857 . 7 1 1 A 88 88 ARG CB C 66 30.570 29.503 1.067 1
1 860 . 7 1 1 A 88 88 ARG N N 66 122.752 121.214 1.538 1
1 861 . 7 1 1 A 89 89 LYS H H 67 8.374 8.005 0.369 1
1 862 . 7 1 1 A 89 89 LYS HA H 67 3.948 4.091 -0.143 1
1 871 . 7 1 1 A 89 89 LYS C C 67 179.278 178.040 1.238 1
1 872 . 7 1 1 A 89 89 LYS CA C 67 58.560 59.781 -1.221 1
1 873 . 7 1 1 A 89 89 LYS CB C 67 32.620 32.419 0.201 1
1 877 . 7 1 1 A 89 89 LYS N N 67 124.661 118.671 5.990 1
1 878 . 7 1 1 A 90 90 GLN H H 68 8.616 7.996 0.620 1
1 879 . 7 1 1 A 90 90 GLN HA H 68 4.169 4.423 -0.254 1
1 886 . 7 1 1 A 90 90 GLN C C 68 177.778 176.344 1.434 1
1 887 . 7 1 1 A 90 90 GLN CA C 68 56.670 55.551 1.119 1
1 888 . 7 1 1 A 90 90 GLN CB C 68 28.230 29.945 -1.715 1
1 890 . 7 1 1 A 90 90 GLN N N 68 115.896 116.392 -0.496 1
1 892 . 7 1 1 A 91 91 ASP H H 69 7.319 8.237 -0.918 1
1 893 . 7 1 1 A 91 91 ASP HA H 69 4.523 4.855 -0.332 1
1 896 . 7 1 1 A 91 91 ASP C C 69 177.164 176.977 0.187 1
1 897 . 7 1 1 A 91 91 ASP CA C 69 54.440 56.616 -2.176 1
1 898 . 7 1 1 A 91 91 ASP CB C 69 41.200 40.465 0.735 1
1 899 . 7 1 1 A 91 91 ASP N N 69 121.181 119.323 1.858 1
1 900 . 7 1 1 A 92 92 GLU H H 70 8.320 8.581 -0.261 1
1 901 . 7 1 1 A 92 92 GLU HA H 70 3.892 4.099 -0.207 1
1 906 . 7 1 1 A 92 92 GLU C C 70 177.657 175.685 1.972 1
1 907 . 7 1 1 A 92 92 GLU CA C 70 57.260 59.484 -2.224 1
1 908 . 7 1 1 A 92 92 GLU CB C 70 30.750 29.680 1.070 1
1 910 . 7 1 1 A 92 92 GLU N N 70 120.205 119.009 1.196 1
1 911 . 7 1 1 A 93 93 TYR H H 71 7.251 7.532 -0.281 1
1 912 . 7 1 1 A 93 93 TYR HA H 71 4.550 5.647 -1.097 1
1 919 . 7 1 1 A 93 93 TYR C C 71 175.861 173.967 1.894 1
1 920 . 7 1 1 A 93 93 TYR CA C 71 55.550 55.541 0.009 1
1 921 . 7 1 1 A 93 93 TYR CB C 71 39.680 42.055 -2.375 1
1 924 . 7 1 1 A 93 93 TYR N N 71 115.349 114.316 1.033 1
1 925 . 7 1 1 A 94 94 HIS H H 72 7.991 8.597 -0.606 1
1 926 . 7 1 1 A 94 94 HIS HA H 72 5.034 4.982 0.052 1
1 930 . 7 1 1 A 94 94 HIS C C 72 176.157 174.147 2.010 1
1 931 . 7 1 1 A 94 94 HIS CA C 72 54.990 54.636 0.354 1
1 932 . 7 1 1 A 94 94 HIS CB C 72 33.910 33.597 0.313 1
1 934 . 7 1 1 A 94 94 HIS N N 72 120.146 118.853 1.293 1
1 935 . 7 1 1 A 95 95 MET H H 73 9.227 9.186 0.041 1
1 936 . 7 1 1 A 95 95 MET HA H 73 5.306 5.250 0.056 1
1 941 . 7 1 1 A 95 95 MET C C 73 176.891 175.428 1.463 1
1 942 . 7 1 1 A 95 95 MET CA C 73 54.500 53.684 0.816 1
1 943 . 7 1 1 A 95 95 MET CB C 73 33.690 33.794 -0.104 1
1 945 . 7 1 1 A 95 95 MET N N 73 124.691 121.528 3.163 1
1 946 . 7 1 1 A 96 96 VAL H H 74 9.070 9.166 -0.096 1
1 947 . 7 1 1 A 96 96 VAL HA H 74 4.719 4.791 -0.072 1
1 955 . 7 1 1 A 96 96 VAL C C 74 175.653 174.922 0.731 1
1 956 . 7 1 1 A 96 96 VAL CA C 74 60.790 61.057 -0.267 1
1 957 . 7 1 1 A 96 96 VAL CB C 74 35.290 34.958 0.332 1
1 960 . 7 1 1 A 96 96 VAL N N 74 125.298 124.408 0.890 1
1 961 . 7 1 1 A 97 97 HIS H H 75 9.197 9.139 0.058 1
1 962 . 7 1 1 A 97 97 HIS HA H 75 5.213 4.935 0.278 1
1 966 . 7 1 1 A 97 97 HIS C C 75 176.245 174.465 1.780 1
1 967 . 7 1 1 A 97 97 HIS CA C 75 55.800 55.714 0.086 1
1 968 . 7 1 1 A 97 97 HIS CB C 75 32.170 30.244 1.926 1
1 970 . 7 1 1 A 97 97 HIS N N 75 125.299 126.256 -0.957 1
1 971 . 7 1 1 A 98 98 LEU H H 76 8.423 8.897 -0.474 1
1 972 . 7 1 1 A 98 98 LEU HA H 76 5.059 4.426 0.633 1
1 982 . 7 1 1 A 98 98 LEU C C 76 177.592 176.716 0.876 1
1 983 . 7 1 1 A 98 98 LEU CA C 76 54.150 54.568 -0.418 1
1 984 . 7 1 1 A 98 98 LEU CB C 76 43.540 41.879 1.661 1
1 988 . 7 1 1 A 98 98 LEU N N 76 126.291 127.013 -0.722 1
1 13 . 8 1 1 A 24 24 VAL H H 2 8.008 8.183 -0.175 1
1 14 . 8 1 1 A 24 24 VAL HA H 2 4.297 4.178 0.119 1
1 22 . 8 1 1 A 24 24 VAL C C 2 175.571 175.987 -0.416 1
1 23 . 8 1 1 A 24 24 VAL CA C 2 60.030 62.001 -1.971 1
1 24 . 8 1 1 A 24 24 VAL CB C 2 34.710 32.358 2.352 1
1 27 . 8 1 1 A 24 24 VAL N N 2 118.399 121.145 -2.746 1
1 28 . 8 1 1 A 25 25 THR H H 3 8.520 8.761 -0.241 1
1 29 . 8 1 1 A 25 25 THR HA H 3 4.738 4.499 0.239 1
1 34 . 8 1 1 A 25 25 THR C C 3 175.275 173.047 2.228 1
1 35 . 8 1 1 A 25 25 THR CA C 3 62.350 62.735 -0.385 1
1 36 . 8 1 1 A 25 25 THR CB C 3 69.930 68.591 1.339 1
1 38 . 8 1 1 A 25 25 THR N N 3 121.522 122.262 -0.740 1
1 39 . 8 1 1 A 26 26 LEU H H 4 8.929 9.117 -0.188 1
1 40 . 8 1 1 A 26 26 LEU HA H 4 5.102 4.954 0.148 1
1 50 . 8 1 1 A 26 26 LEU C C 4 176.809 174.974 1.835 1
1 51 . 8 1 1 A 26 26 LEU CA C 4 52.850 53.941 -1.091 1
1 52 . 8 1 1 A 26 26 LEU CB C 4 45.140 43.785 1.355 1
1 56 . 8 1 1 A 26 26 LEU N N 4 127.076 128.917 -1.841 1
1 57 . 8 1 1 A 27 27 ILE H H 5 8.990 8.813 0.177 1
1 58 . 8 1 1 A 27 27 ILE HA H 5 4.682 4.702 -0.020 1
1 68 . 8 1 1 A 27 27 ILE C C 5 176.962 175.481 1.481 1
1 69 . 8 1 1 A 27 27 ILE CA C 5 59.810 61.271 -1.461 1
1 70 . 8 1 1 A 27 27 ILE CB C 5 38.590 36.894 1.696 1
1 74 . 8 1 1 A 27 27 ILE N N 5 122.974 127.612 -4.638 1
1 75 . 8 1 1 A 28 28 ILE H H 6 9.288 8.864 0.424 1
1 76 . 8 1 1 A 28 28 ILE HA H 6 5.025 4.595 0.430 1
1 86 . 8 1 1 A 28 28 ILE C C 6 178.889 175.289 3.600 1
1 87 . 8 1 1 A 28 28 ILE CA C 6 57.620 61.156 -3.536 1
1 88 . 8 1 1 A 28 28 ILE CB C 6 36.680 37.399 -0.719 1
1 92 . 8 1 1 A 28 28 ILE N N 6 125.520 129.313 -3.793 1
1 93 . 8 1 1 A 29 29 LYS H H 7 8.832 8.443 0.389 1
1 94 . 8 1 1 A 29 29 LYS HA H 7 4.597 4.716 -0.119 1
1 103 . 8 1 1 A 29 29 LYS C C 7 176.414 176.002 0.412 1
1 104 . 8 1 1 A 29 29 LYS CA C 7 54.240 54.445 -0.205 1
1 105 . 8 1 1 A 29 29 LYS CB C 7 34.050 35.465 -1.415 1
1 109 . 8 1 1 A 29 29 LYS N N 7 130.704 127.744 2.960 1
1 110 . 8 1 1 A 30 30 ALA H H 8 9.021 8.796 0.225 1
1 111 . 8 1 1 A 30 30 ALA HA H 8 5.221 4.647 0.574 1
1 115 . 8 1 1 A 30 30 ALA CA C 8 49.220 50.824 -1.604 1
1 116 . 8 1 1 A 30 30 ALA CB C 8 20.620 18.111 2.509 1
1 117 . 8 1 1 A 30 30 ALA N N 8 126.869 125.988 0.881 1
1 118 . 8 1 1 A 31 31 PRO HA H 9 4.445 4.455 -0.010 1
1 125 . 8 1 1 A 31 31 PRO CA C 9 63.990 65.687 -1.697 1
1 126 . 8 1 1 A 31 31 PRO CB C 9 31.860 31.706 0.154 1
1 129 . 8 1 1 A 32 32 ASN HA H 10 4.531 4.810 -0.279 1
1 134 . 8 1 1 A 32 32 ASN C C 10 176.666 175.078 1.588 1
1 135 . 8 1 1 A 32 32 ASN CA C 10 53.210 53.328 -0.118 1
1 136 . 8 1 1 A 32 32 ASN CB C 10 38.150 38.803 -0.653 1
1 138 . 8 1 1 A 33 33 GLN H H 11 8.123 8.034 0.089 1
1 139 . 8 1 1 A 33 33 GLN N N 11 114.038 117.435 -3.397 1
1 140 . 8 1 1 A 34 34 LYS HA H 12 3.817 4.179 -0.362 1
1 149 . 8 1 1 A 34 34 LYS C C 12 178.002 175.597 2.405 1
1 150 . 8 1 1 A 34 34 LYS CA C 12 58.290 57.736 0.554 1
1 151 . 8 1 1 A 34 34 LYS CB C 12 32.570 32.590 -0.020 1
1 155 . 8 1 1 A 35 35 TYR H H 13 6.845 7.871 -1.026 1
1 156 . 8 1 1 A 35 35 TYR HA H 13 4.654 5.154 -0.500 1
1 163 . 8 1 1 A 35 35 TYR CA C 13 56.060 56.453 -0.393 1
1 164 . 8 1 1 A 35 35 TYR CB C 13 41.000 41.344 -0.344 1
1 167 . 8 1 1 A 35 35 TYR N N 13 112.988 118.728 -5.740 1
1 168 . 8 1 1 A 36 36 SER HA H 14 4.376 4.712 -0.336 1
1 171 . 8 1 1 A 36 36 SER C C 14 177.170 174.147 3.023 1
1 172 . 8 1 1 A 36 36 SER CA C 14 58.160 57.739 0.421 1
1 173 . 8 1 1 A 36 36 SER CB C 14 64.000 64.302 -0.302 1
1 174 . 8 1 1 A 37 37 ASP H H 15 8.910 8.591 0.319 1
1 175 . 8 1 1 A 37 37 ASP HA H 15 4.622 4.738 -0.116 1
1 178 . 8 1 1 A 37 37 ASP C C 15 178.221 175.579 2.642 1
1 179 . 8 1 1 A 37 37 ASP CA C 15 55.680 53.660 2.020 1
1 180 . 8 1 1 A 37 37 ASP CB C 15 39.640 39.723 -0.083 1
1 181 . 8 1 1 A 37 37 ASP N N 15 125.921 119.358 6.563 1
1 182 . 8 1 1 A 38 38 GLN H H 16 8.224 8.408 -0.184 1
1 183 . 8 1 1 A 38 38 GLN HA H 16 4.653 4.711 -0.058 1
1 190 . 8 1 1 A 38 38 GLN C C 16 176.655 175.550 1.105 1
1 191 . 8 1 1 A 38 38 GLN CA C 16 53.230 55.789 -2.559 1
1 192 . 8 1 1 A 38 38 GLN CB C 16 31.390 29.496 1.894 1
1 194 . 8 1 1 A 38 38 GLN N N 16 121.123 124.899 -3.776 1
1 196 . 8 1 1 A 39 39 THR H H 17 8.733 8.576 0.157 1
1 197 . 8 1 1 A 39 39 THR HA H 17 4.936 4.908 0.028 1
1 202 . 8 1 1 A 39 39 THR C C 17 176.173 173.823 2.350 1
1 203 . 8 1 1 A 39 39 THR CA C 17 62.170 61.084 1.086 1
1 204 . 8 1 1 A 39 39 THR CB C 17 69.300 69.189 0.111 1
1 206 . 8 1 1 A 39 39 THR N N 17 120.324 115.946 4.378 1
1 207 . 8 1 1 A 40 40 ILE H H 18 9.424 8.869 0.555 1
1 208 . 8 1 1 A 40 40 ILE HA H 18 4.592 4.440 0.152 1
1 218 . 8 1 1 A 40 40 ILE C C 18 176.184 175.323 0.861 1
1 219 . 8 1 1 A 40 40 ILE CA C 18 58.200 61.132 -2.932 1
1 220 . 8 1 1 A 40 40 ILE CB C 18 41.130 38.648 2.482 1
1 224 . 8 1 1 A 40 40 ILE N N 18 126.321 128.251 -1.930 1
1 225 . 8 1 1 A 41 41 SER H H 19 8.518 8.772 -0.254 1
1 226 . 8 1 1 A 41 41 SER HA H 19 4.939 4.793 0.146 1
1 229 . 8 1 1 A 41 41 SER C C 19 175.210 174.252 0.958 1
1 230 . 8 1 1 A 41 41 SER CA C 19 57.160 57.827 -0.667 1
1 231 . 8 1 1 A 41 41 SER CB C 19 63.660 62.993 0.667 1
1 232 . 8 1 1 A 41 41 SER N N 19 120.959 121.847 -0.888 1
1 233 . 8 1 1 A 42 42 CYS H H 20 8.444 8.789 -0.345 1
1 234 . 8 1 1 A 42 42 CYS HA H 20 3.546 5.342 -1.796 1
1 237 . 8 1 1 A 42 42 CYS CA C 20 55.410 56.624 -1.214 1
1 238 . 8 1 1 A 42 42 CYS CB C 20 28.570 30.837 -2.267 1
1 239 . 8 1 1 A 42 42 CYS N N 20 120.248 122.715 -2.467 1
1 240 . 8 1 1 A 43 43 PHE HA H 21 4.580 4.897 -0.317 1
1 248 . 8 1 1 A 43 43 PHE C C 21 177.980 175.760 2.220 1
1 249 . 8 1 1 A 43 43 PHE CA C 21 56.490 56.292 0.198 1
1 250 . 8 1 1 A 43 43 PHE CB C 21 42.360 41.070 1.290 1
1 254 . 8 1 1 A 44 44 LEU H H 22 9.159 8.790 0.369 1
1 255 . 8 1 1 A 44 44 LEU HA H 22 3.779 4.061 -0.282 1
1 265 . 8 1 1 A 44 44 LEU C C 22 178.177 178.869 -0.692 1
1 266 . 8 1 1 A 44 44 LEU CA C 22 56.980 57.511 -0.531 1
1 267 . 8 1 1 A 44 44 LEU CB C 22 42.090 41.340 0.750 1
1 271 . 8 1 1 A 44 44 LEU N N 22 120.130 125.762 -5.632 1
1 272 . 8 1 1 A 45 45 ASN H H 23 8.058 8.023 0.035 1
1 273 . 8 1 1 A 45 45 ASN HA H 23 4.650 4.299 0.351 1
1 276 . 8 1 1 A 45 45 ASN C C 23 178.364 175.447 2.917 1
1 277 . 8 1 1 A 45 45 ASN CA C 23 52.880 56.181 -3.301 1
1 278 . 8 1 1 A 45 45 ASN CB C 23 37.320 38.749 -1.429 1
1 279 . 8 1 1 A 45 45 ASN N N 23 112.017 117.101 -5.084 1
1 280 . 8 1 1 A 46 46 TRP H H 24 7.857 7.174 0.683 1
1 281 . 8 1 1 A 46 46 TRP HA H 24 4.712 4.802 -0.090 1
1 290 . 8 1 1 A 46 46 TRP C C 24 178.802 176.443 2.359 1
1 291 . 8 1 1 A 46 46 TRP CA C 24 57.240 57.457 -0.217 1
1 292 . 8 1 1 A 46 46 TRP CB C 24 29.250 31.005 -1.755 1
1 298 . 8 1 1 A 46 46 TRP N N 24 121.301 117.880 3.421 1
1 300 . 8 1 1 A 47 47 THR H H 25 7.473 8.840 -1.367 1
1 301 . 8 1 1 A 47 47 THR HA H 25 5.097 4.654 0.443 1
1 306 . 8 1 1 A 47 47 THR C C 25 178.375 176.502 1.873 1
1 307 . 8 1 1 A 47 47 THR CA C 25 59.940 61.020 -1.080 1
1 308 . 8 1 1 A 47 47 THR CB C 25 71.080 71.078 0.002 1
1 310 . 8 1 1 A 47 47 THR N N 25 109.055 114.403 -5.348 1
1 311 . 8 1 1 A 48 48 VAL H H 26 8.349 8.791 -0.442 1
1 312 . 8 1 1 A 48 48 VAL HA H 26 3.433 3.503 -0.070 1
1 320 . 8 1 1 A 48 48 VAL C C 26 180.548 178.311 2.237 1
1 321 . 8 1 1 A 48 48 VAL CA C 26 66.460 66.582 -0.122 1
1 322 . 8 1 1 A 48 48 VAL CB C 26 31.540 31.544 -0.004 1
1 325 . 8 1 1 A 48 48 VAL N N 26 123.048 122.793 0.255 1
1 326 . 8 1 1 A 49 49 GLY H H 27 9.099 8.077 1.022 1
1 327 . 8 1 1 A 49 49 GLY HA2 H 27 3.895 3.725 0.170 1
1 328 . 8 1 1 A 49 49 GLY HA3 H 27 3.512 3.728 -0.216 1
1 329 . 8 1 1 A 49 49 GLY C C 27 177.909 175.433 2.476 1
1 330 . 8 1 1 A 49 49 GLY CA C 27 47.100 47.198 -0.098 1
1 331 . 8 1 1 A 49 49 GLY N N 27 107.086 107.401 -0.315 1
1 332 . 8 1 1 A 50 50 LYS H H 28 7.937 7.666 0.271 1
1 333 . 8 1 1 A 50 50 LYS HA H 28 3.907 3.967 -0.060 1
1 342 . 8 1 1 A 50 50 LYS C C 28 180.866 179.377 1.489 1
1 343 . 8 1 1 A 50 50 LYS CA C 28 59.000 59.297 -0.297 1
1 344 . 8 1 1 A 50 50 LYS CB C 28 31.730 32.178 -0.448 1
1 348 . 8 1 1 A 50 50 LYS N N 28 125.227 122.408 2.819 1
1 349 . 8 1 1 A 51 51 LEU H H 29 8.364 8.061 0.303 1
1 350 . 8 1 1 A 51 51 LEU HA H 29 4.357 4.255 0.102 1
1 360 . 8 1 1 A 51 51 LEU C C 29 180.056 178.392 1.664 1
1 361 . 8 1 1 A 51 51 LEU CA C 29 58.360 57.390 0.970 1
1 362 . 8 1 1 A 51 51 LEU CB C 29 41.510 42.052 -0.542 1
1 366 . 8 1 1 A 51 51 LEU N N 29 122.366 121.536 0.830 1
1 367 . 8 1 1 A 52 52 LYS H H 30 8.711 8.203 0.508 1
1 368 . 8 1 1 A 52 52 LYS HA H 30 4.542 4.053 0.489 1
1 377 . 8 1 1 A 52 52 LYS C C 30 182.257 179.224 3.033 1
1 378 . 8 1 1 A 52 52 LYS CA C 30 59.310 59.234 0.076 1
1 379 . 8 1 1 A 52 52 LYS CB C 30 33.380 32.059 1.321 1
1 383 . 8 1 1 A 52 52 LYS N N 30 119.050 120.042 -0.992 1
1 384 . 8 1 1 A 53 53 THR H H 31 8.130 7.883 0.247 1
1 385 . 8 1 1 A 53 53 THR HA H 31 3.655 3.945 -0.290 1
1 390 . 8 1 1 A 53 53 THR C C 31 179.092 175.949 3.143 1
1 391 . 8 1 1 A 53 53 THR CA C 31 66.890 66.852 0.038 1
1 392 . 8 1 1 A 53 53 THR CB C 31 68.370 68.362 0.008 1
1 394 . 8 1 1 A 53 53 THR N N 31 118.206 117.651 0.555 1
1 395 . 8 1 1 A 54 54 HIS H H 32 8.310 7.628 0.682 1
1 396 . 8 1 1 A 54 54 HIS HA H 32 4.566 4.259 0.307 1
1 400 . 8 1 1 A 54 54 HIS C C 32 180.735 177.173 3.562 1
1 401 . 8 1 1 A 54 54 HIS CA C 32 60.010 60.140 -0.130 1
1 402 . 8 1 1 A 54 54 HIS CB C 32 31.620 29.373 2.247 1
1 404 . 8 1 1 A 54 54 HIS N N 32 124.425 122.955 1.470 1
1 405 . 8 1 1 A 55 55 LEU H H 33 9.036 8.479 0.557 1
1 406 . 8 1 1 A 55 55 LEU HA H 33 3.958 3.902 0.056 1
1 416 . 8 1 1 A 55 55 LEU C C 33 180.877 179.194 1.683 1
1 417 . 8 1 1 A 55 55 LEU CA C 33 58.180 57.846 0.334 1
1 418 . 8 1 1 A 55 55 LEU CB C 33 40.710 41.814 -1.104 1
1 422 . 8 1 1 A 55 55 LEU N N 33 119.746 120.890 -1.144 1
1 423 . 8 1 1 A 56 56 SER H H 34 8.266 8.020 0.246 1
1 424 . 8 1 1 A 56 56 SER HA H 34 4.159 4.176 -0.017 1
1 427 . 8 1 1 A 56 56 SER C C 34 176.015 176.024 -0.009 1
1 428 . 8 1 1 A 56 56 SER CA C 34 61.590 61.086 0.504 1
1 429 . 8 1 1 A 56 56 SER CB C 34 63.600 63.332 0.268 1
1 430 . 8 1 1 A 56 56 SER N N 34 114.534 113.840 0.694 1
1 431 . 8 1 1 A 57 57 ASN H H 35 7.273 7.585 -0.312 1
1 432 . 8 1 1 A 57 57 ASN HA H 35 4.799 4.725 0.074 1
1 437 . 8 1 1 A 57 57 ASN C C 35 179.004 177.203 1.801 1
1 438 . 8 1 1 A 57 57 ASN CA C 35 54.520 55.393 -0.873 1
1 439 . 8 1 1 A 57 57 ASN CB C 35 40.890 39.451 1.439 1
1 440 . 8 1 1 A 57 57 ASN N N 35 115.349 118.779 -3.430 1
1 442 . 8 1 1 A 58 58 VAL H H 36 7.810 7.105 0.705 1
1 443 . 8 1 1 A 58 58 VAL HA H 36 4.309 4.123 0.186 1
1 451 . 8 1 1 A 58 58 VAL C C 36 178.446 175.639 2.807 1
1 452 . 8 1 1 A 58 58 VAL CA C 36 62.350 63.573 -1.223 1
1 453 . 8 1 1 A 58 58 VAL CB C 36 32.980 31.892 1.088 1
1 456 . 8 1 1 A 58 58 VAL N N 36 110.874 111.410 -0.536 1
1 457 . 8 1 1 A 59 59 TYR H H 37 8.896 7.793 1.103 1
1 458 . 8 1 1 A 59 59 TYR HA H 37 4.482 4.688 -0.206 1
1 465 . 8 1 1 A 59 59 TYR CA C 37 57.740 56.736 1.004 1
1 466 . 8 1 1 A 59 59 TYR CB C 37 40.440 39.676 0.764 1
1 469 . 8 1 1 A 59 59 TYR N N 37 127.773 124.432 3.341 1
1 470 . 8 1 1 A 60 60 PRO HA H 38 3.956 4.266 -0.310 1
1 477 . 8 1 1 A 60 60 PRO C C 38 178.511 177.606 0.905 1
1 478 . 8 1 1 A 60 60 PRO CA C 38 65.560 64.999 0.561 1
1 479 . 8 1 1 A 60 60 PRO CB C 38 31.860 31.738 0.122 1
1 482 . 8 1 1 A 61 61 SER H H 39 6.571 7.778 -1.207 1
1 483 . 8 1 1 A 61 61 SER HA H 39 4.238 4.336 -0.098 1
1 486 . 8 1 1 A 61 61 SER C C 39 175.774 174.167 1.607 1
1 487 . 8 1 1 A 61 61 SER CA C 39 58.290 61.328 -3.038 1
1 488 . 8 1 1 A 61 61 SER CB C 39 63.420 62.930 0.490 1
1 489 . 8 1 1 A 61 61 SER N N 39 108.382 112.009 -3.627 1
1 490 . 8 1 1 A 62 62 LYS H H 40 8.384 7.895 0.489 1
1 491 . 8 1 1 A 62 62 LYS HA H 40 3.922 4.164 -0.242 1
1 500 . 8 1 1 A 62 62 LYS CA C 40 56.710 56.772 -0.062 1
1 501 . 8 1 1 A 62 62 LYS CB C 40 30.640 30.800 -0.160 1
1 505 . 8 1 1 A 62 62 LYS N N 40 118.443 119.281 -0.838 1
1 506 . 8 1 1 A 63 63 PRO HA H 41 4.284 4.621 -0.337 1
1 513 . 8 1 1 A 63 63 PRO C C 41 179.464 176.104 3.360 1
1 514 . 8 1 1 A 63 63 PRO CA C 41 62.620 62.390 0.230 1
1 515 . 8 1 1 A 63 63 PRO CB C 41 31.640 32.973 -1.333 1
1 518 . 8 1 1 A 64 64 LEU H H 42 8.689 8.522 0.167 1
1 519 . 8 1 1 A 64 64 LEU HA H 42 4.212 4.317 -0.105 1
1 529 . 8 1 1 A 64 64 LEU C C 42 182.476 176.772 5.704 1
1 530 . 8 1 1 A 64 64 LEU CA C 42 54.750 54.447 0.303 1
1 531 . 8 1 1 A 64 64 LEU CB C 42 41.360 40.861 0.499 1
1 535 . 8 1 1 A 64 64 LEU N N 42 122.677 121.857 0.820 1
1 536 . 8 1 1 A 65 65 THR H H 43 8.858 8.703 0.155 1
1 537 . 8 1 1 A 65 65 THR HA H 43 3.779 3.901 -0.122 1
1 542 . 8 1 1 A 65 65 THR C C 43 180.078 175.956 4.122 1
1 543 . 8 1 1 A 65 65 THR CA C 43 66.310 66.119 0.191 1
1 544 . 8 1 1 A 65 65 THR CB C 43 68.100 68.701 -0.601 1
1 546 . 8 1 1 A 65 65 THR N N 43 116.000 119.659 -3.659 1
1 547 . 8 1 1 A 66 66 LYS H H 44 7.921 8.494 -0.573 1
1 548 . 8 1 1 A 66 66 LYS HA H 44 4.125 4.038 0.087 1
1 557 . 8 1 1 A 66 66 LYS C C 44 177.953 177.874 0.079 1
1 558 . 8 1 1 A 66 66 LYS CA C 44 57.730 58.952 -1.222 1
1 559 . 8 1 1 A 66 66 LYS CB C 44 31.890 32.088 -0.198 1
1 563 . 8 1 1 A 66 66 LYS N N 44 117.614 120.317 -2.703 1
1 564 . 8 1 1 A 67 67 ASP H H 45 7.394 7.619 -0.225 1
1 565 . 8 1 1 A 67 67 ASP HA H 45 4.746 4.609 0.137 1
1 568 . 8 1 1 A 67 67 ASP C C 45 177.876 176.945 0.931 1
1 569 . 8 1 1 A 67 67 ASP CA C 45 54.350 55.424 -1.074 1
1 570 . 8 1 1 A 67 67 ASP CB C 45 42.090 41.572 0.518 1
1 571 . 8 1 1 A 67 67 ASP N N 45 118.443 117.640 0.803 1
1 572 . 8 1 1 A 68 68 GLN H H 46 7.143 7.496 -0.353 1
1 573 . 8 1 1 A 68 68 GLN HA H 46 4.054 4.368 -0.314 1
1 578 . 8 1 1 A 68 68 GLN C C 46 177.515 176.011 1.504 1
1 579 . 8 1 1 A 68 68 GLN CA C 46 56.750 56.179 0.571 1
1 580 . 8 1 1 A 68 68 GLN CB C 46 31.150 29.894 1.256 1
1 582 . 8 1 1 A 68 68 GLN N N 46 120.205 117.538 2.667 1
1 583 . 8 1 1 A 69 69 ARG H H 47 8.269 8.846 -0.577 1
1 584 . 8 1 1 A 69 69 ARG HA H 47 4.334 5.132 -0.798 1
1 591 . 8 1 1 A 69 69 ARG C C 47 175.708 174.775 0.933 1
1 592 . 8 1 1 A 69 69 ARG CA C 47 55.010 54.472 0.538 1
1 593 . 8 1 1 A 69 69 ARG CB C 47 31.390 33.776 -2.386 1
1 596 . 8 1 1 A 69 69 ARG N N 47 124.781 123.706 1.075 1
1 597 . 8 1 1 A 70 70 LEU H H 48 8.254 9.067 -0.813 1
1 598 . 8 1 1 A 70 70 LEU HA H 48 5.444 4.905 0.539 1
1 608 . 8 1 1 A 70 70 LEU C C 48 177.175 175.550 1.625 1
1 609 . 8 1 1 A 70 70 LEU CA C 48 52.810 53.610 -0.800 1
1 610 . 8 1 1 A 70 70 LEU CB C 48 45.100 42.620 2.480 1
1 614 . 8 1 1 A 70 70 LEU N N 48 122.071 123.828 -1.757 1
1 615 . 8 1 1 A 71 71 VAL H H 49 9.251 9.210 0.041 1
1 616 . 8 1 1 A 71 71 VAL HA H 49 4.889 4.818 0.071 1
1 624 . 8 1 1 A 71 71 VAL C C 49 177.208 174.233 2.975 1
1 625 . 8 1 1 A 71 71 VAL CA C 49 60.570 61.301 -0.731 1
1 626 . 8 1 1 A 71 71 VAL CB C 49 34.580 32.672 1.908 1
1 629 . 8 1 1 A 71 71 VAL N N 49 122.797 125.678 -2.881 1
1 630 . 8 1 1 A 72 72 TYR H H 50 8.684 9.045 -0.361 1
1 631 . 8 1 1 A 72 72 TYR HA H 50 5.155 4.904 0.251 1
1 638 . 8 1 1 A 72 72 TYR CA C 50 56.060 57.627 -1.567 1
1 639 . 8 1 1 A 72 72 TYR CB C 50 43.140 40.638 2.502 1
1 642 . 8 1 1 A 72 72 TYR N N 50 126.349 129.118 -2.769 1
1 643 . 8 1 1 A 73 73 SER HA H 51 3.673 4.022 -0.349 1
1 646 . 8 1 1 A 73 73 SER C C 51 177.153 174.340 2.813 1
1 647 . 8 1 1 A 73 73 SER CA C 51 58.000 59.062 -1.062 1
1 648 . 8 1 1 A 73 73 SER CB C 51 62.190 61.488 0.702 1
1 649 . 8 1 1 A 74 74 GLY H H 52 8.209 8.189 0.020 1
1 650 . 8 1 1 A 74 74 GLY HA2 H 52 4.030 3.920 0.110 1
1 651 . 8 1 1 A 74 74 GLY HA3 H 52 3.346 3.928 -0.582 1
1 652 . 8 1 1 A 74 74 GLY C C 52 175.259 174.352 0.907 1
1 653 . 8 1 1 A 74 74 GLY CA C 52 44.990 45.003 -0.013 1
1 654 . 8 1 1 A 74 74 GLY N N 52 103.501 105.847 -2.346 1
1 655 . 8 1 1 A 75 75 ARG H H 53 7.816 7.700 0.116 1
1 656 . 8 1 1 A 75 75 ARG HA H 53 4.555 4.390 0.165 1
1 663 . 8 1 1 A 75 75 ARG C C 53 176.321 175.034 1.287 1
1 664 . 8 1 1 A 75 75 ARG CA C 53 54.590 55.839 -1.249 1
1 665 . 8 1 1 A 75 75 ARG CB C 53 32.620 31.151 1.469 1
1 668 . 8 1 1 A 75 75 ARG N N 53 121.834 120.233 1.601 1
1 669 . 8 1 1 A 76 76 LEU H H 54 8.470 8.544 -0.074 1
1 670 . 8 1 1 A 76 76 LEU HA H 54 4.500 4.856 -0.356 1
1 680 . 8 1 1 A 76 76 LEU C C 54 179.639 174.664 4.975 1
1 681 . 8 1 1 A 76 76 LEU CA C 54 55.260 53.878 1.382 1
1 682 . 8 1 1 A 76 76 LEU CB C 54 42.210 44.163 -1.953 1
1 686 . 8 1 1 A 76 76 LEU N N 54 127.239 124.680 2.559 1
1 687 . 8 1 1 A 77 77 LEU H H 55 8.863 9.041 -0.178 1
1 688 . 8 1 1 A 77 77 LEU HA H 55 4.605 4.834 -0.229 1
1 698 . 8 1 1 A 77 77 LEU CA C 55 52.230 51.326 0.904 1
1 699 . 8 1 1 A 77 77 LEU CB C 55 43.090 42.449 0.641 1
1 703 . 8 1 1 A 77 77 LEU N N 55 127.741 128.325 -0.584 1
1 704 . 8 1 1 A 78 78 PRO HA H 56 4.708 4.673 0.035 1
1 711 . 8 1 1 A 78 78 PRO C C 56 179.519 176.939 2.580 1
1 712 . 8 1 1 A 78 78 PRO CA C 56 61.780 62.380 -0.600 1
1 713 . 8 1 1 A 78 78 PRO CB C 56 32.600 32.784 -0.184 1
1 716 . 8 1 1 A 79 79 ASP H H 57 8.109 8.671 -0.562 1
1 717 . 8 1 1 A 79 79 ASP HA H 57 4.122 4.206 -0.084 1
1 720 . 8 1 1 A 79 79 ASP C C 57 179.782 177.915 1.867 1
1 721 . 8 1 1 A 79 79 ASP CA C 57 57.380 56.360 1.020 1
1 722 . 8 1 1 A 79 79 ASP CB C 57 41.200 40.040 1.160 1
1 723 . 8 1 1 A 79 79 ASP N N 57 116.504 121.636 -5.132 1
1 724 . 8 1 1 A 80 80 HIS H H 58 7.815 7.605 0.210 1
1 725 . 8 1 1 A 80 80 HIS HA H 58 4.519 4.386 0.133 1
1 730 . 8 1 1 A 80 80 HIS C C 58 177.668 175.651 2.017 1
1 731 . 8 1 1 A 80 80 HIS CA C 58 57.110 58.387 -1.277 1
1 732 . 8 1 1 A 80 80 HIS CB C 58 30.770 29.071 1.699 1
1 735 . 8 1 1 A 80 80 HIS N N 58 112.239 115.057 -2.818 1
1 736 . 8 1 1 A 81 81 LEU H H 59 6.281 6.678 -0.397 1
1 737 . 8 1 1 A 81 81 LEU HA H 59 4.157 4.483 -0.326 1
1 747 . 8 1 1 A 81 81 LEU C C 59 178.501 176.618 1.883 1
1 748 . 8 1 1 A 81 81 LEU CA C 59 53.970 53.550 0.420 1
1 749 . 8 1 1 A 81 81 LEU CB C 59 43.360 43.487 -0.127 1
1 753 . 8 1 1 A 81 81 LEU N N 59 120.531 117.809 2.722 1
1 754 . 8 1 1 A 82 82 GLN H H 60 8.863 8.899 -0.036 1
1 755 . 8 1 1 A 82 82 GLN HA H 60 4.891 4.409 0.482 1
1 762 . 8 1 1 A 82 82 GLN C C 60 180.417 177.515 2.902 1
1 763 . 8 1 1 A 82 82 GLN CA C 60 54.880 55.423 -0.543 1
1 764 . 8 1 1 A 82 82 GLN CB C 60 31.480 29.520 1.960 1
1 766 . 8 1 1 A 82 82 GLN N N 60 118.014 119.899 -1.885 1
1 768 . 8 1 1 A 83 83 LEU H H 61 8.688 8.423 0.265 1
1 769 . 8 1 1 A 83 83 LEU HA H 61 3.705 3.917 -0.212 1
1 779 . 8 1 1 A 83 83 LEU C C 61 181.775 178.675 3.100 1
1 780 . 8 1 1 A 83 83 LEU CA C 61 58.510 57.917 0.593 1
1 781 . 8 1 1 A 83 83 LEU CB C 61 40.330 41.225 -0.895 1
1 785 . 8 1 1 A 83 83 LEU N N 61 121.910 123.699 -1.789 1
1 786 . 8 1 1 A 84 84 LYS H H 62 8.525 8.052 0.473 1
1 787 . 8 1 1 A 84 84 LYS HA H 62 3.972 4.024 -0.052 1
1 796 . 8 1 1 A 84 84 LYS C C 62 177.865 178.174 -0.309 1
1 797 . 8 1 1 A 84 84 LYS CA C 62 57.690 59.087 -1.397 1
1 798 . 8 1 1 A 84 84 LYS CB C 62 31.440 32.231 -0.791 1
1 802 . 8 1 1 A 84 84 LYS N N 62 115.896 117.494 -1.598 1
1 803 . 8 1 1 A 85 85 ASP H H 63 7.598 7.894 -0.296 1
1 804 . 8 1 1 A 85 85 ASP HA H 63 4.710 4.366 0.344 1
1 807 . 8 1 1 A 85 85 ASP C C 63 177.307 177.322 -0.015 1
1 808 . 8 1 1 A 85 85 ASP CA C 63 55.460 57.126 -1.666 1
1 809 . 8 1 1 A 85 85 ASP CB C 63 42.000 41.959 0.041 1
1 810 . 8 1 1 A 85 85 ASP N N 63 118.917 119.382 -0.465 1
1 811 . 8 1 1 A 86 86 ILE H H 64 7.417 7.109 0.308 1
1 812 . 8 1 1 A 86 86 ILE HA H 64 4.027 3.899 0.128 1
1 822 . 8 1 1 A 86 86 ILE C C 64 177.055 177.177 -0.122 1
1 823 . 8 1 1 A 86 86 ILE CA C 64 62.150 63.632 -1.482 1
1 824 . 8 1 1 A 86 86 ILE CB C 64 42.670 38.756 3.914 1
1 828 . 8 1 1 A 86 86 ILE N N 64 117.599 117.227 0.372 1
1 829 . 8 1 1 A 87 87 LEU H H 65 7.399 7.716 -0.317 1
1 830 . 8 1 1 A 87 87 LEU HA H 65 3.695 3.996 -0.301 1
1 840 . 8 1 1 A 87 87 LEU C C 65 179.409 177.957 1.452 1
1 841 . 8 1 1 A 87 87 LEU CA C 65 55.040 54.547 0.493 1
1 842 . 8 1 1 A 87 87 LEU CB C 65 40.910 41.620 -0.710 1
1 846 . 8 1 1 A 87 87 LEU N N 65 116.948 119.345 -2.397 1
1 847 . 8 1 1 A 88 88 ARG H H 66 7.954 8.477 -0.523 1
1 848 . 8 1 1 A 88 88 ARG HA H 66 4.227 4.097 0.130 1
1 855 . 8 1 1 A 88 88 ARG C C 66 179.333 178.112 1.221 1
1 856 . 8 1 1 A 88 88 ARG CA C 66 56.960 57.853 -0.893 1
1 857 . 8 1 1 A 88 88 ARG CB C 66 30.570 28.875 1.695 1
1 860 . 8 1 1 A 88 88 ARG N N 66 122.752 119.872 2.880 1
1 861 . 8 1 1 A 89 89 LYS H H 67 8.374 8.167 0.207 1
1 862 . 8 1 1 A 89 89 LYS HA H 67 3.948 4.047 -0.099 1
1 871 . 8 1 1 A 89 89 LYS C C 67 179.278 179.365 -0.087 1
1 872 . 8 1 1 A 89 89 LYS CA C 67 58.560 59.459 -0.899 1
1 873 . 8 1 1 A 89 89 LYS CB C 67 32.620 32.290 0.330 1
1 877 . 8 1 1 A 89 89 LYS N N 67 124.661 119.289 5.372 1
1 878 . 8 1 1 A 90 90 GLN H H 68 8.616 7.922 0.694 1
1 879 . 8 1 1 A 90 90 GLN HA H 68 4.169 3.975 0.194 1
1 886 . 8 1 1 A 90 90 GLN C C 68 177.778 175.960 1.818 1
1 887 . 8 1 1 A 90 90 GLN CA C 68 56.670 57.159 -0.489 1
1 888 . 8 1 1 A 90 90 GLN CB C 68 28.230 28.524 -0.294 1
1 890 . 8 1 1 A 90 90 GLN N N 68 115.896 118.782 -2.886 1
1 892 . 8 1 1 A 91 91 ASP H H 69 7.319 7.754 -0.435 1
1 893 . 8 1 1 A 91 91 ASP HA H 69 4.523 4.626 -0.103 1
1 896 . 8 1 1 A 91 91 ASP C C 69 177.164 176.804 0.360 1
1 897 . 8 1 1 A 91 91 ASP CA C 69 54.440 56.226 -1.786 1
1 898 . 8 1 1 A 91 91 ASP CB C 69 41.200 40.366 0.834 1
1 899 . 8 1 1 A 91 91 ASP N N 69 121.181 119.086 2.095 1
1 900 . 8 1 1 A 92 92 GLU H H 70 8.320 8.332 -0.012 1
1 901 . 8 1 1 A 92 92 GLU HA H 70 3.892 4.016 -0.124 1
1 906 . 8 1 1 A 92 92 GLU C C 70 177.657 175.591 2.066 1
1 907 . 8 1 1 A 92 92 GLU CA C 70 57.260 58.974 -1.714 1
1 908 . 8 1 1 A 92 92 GLU CB C 70 30.750 30.190 0.560 1
1 910 . 8 1 1 A 92 92 GLU N N 70 120.205 118.911 1.294 1
1 911 . 8 1 1 A 93 93 TYR H H 71 7.251 7.482 -0.231 1
1 912 . 8 1 1 A 93 93 TYR HA H 71 4.550 5.333 -0.783 1
1 919 . 8 1 1 A 93 93 TYR C C 71 175.861 173.656 2.205 1
1 920 . 8 1 1 A 93 93 TYR CA C 71 55.550 56.147 -0.597 1
1 921 . 8 1 1 A 93 93 TYR CB C 71 39.680 41.964 -2.284 1
1 924 . 8 1 1 A 93 93 TYR N N 71 115.349 113.851 1.498 1
1 925 . 8 1 1 A 94 94 HIS H H 72 7.991 8.873 -0.882 1
1 926 . 8 1 1 A 94 94 HIS HA H 72 5.034 4.954 0.080 1
1 930 . 8 1 1 A 94 94 HIS C C 72 176.157 174.432 1.725 1
1 931 . 8 1 1 A 94 94 HIS CA C 72 54.990 54.741 0.249 1
1 932 . 8 1 1 A 94 94 HIS CB C 72 33.910 33.446 0.464 1
1 934 . 8 1 1 A 94 94 HIS N N 72 120.146 118.134 2.012 1
1 935 . 8 1 1 A 95 95 MET H H 73 9.227 9.190 0.037 1
1 936 . 8 1 1 A 95 95 MET HA H 73 5.306 5.464 -0.158 1
1 941 . 8 1 1 A 95 95 MET C C 73 176.891 175.501 1.390 1
1 942 . 8 1 1 A 95 95 MET CA C 73 54.500 53.776 0.724 1
1 943 . 8 1 1 A 95 95 MET CB C 73 33.690 34.028 -0.338 1
1 945 . 8 1 1 A 95 95 MET N N 73 124.691 121.564 3.127 1
1 946 . 8 1 1 A 96 96 VAL H H 74 9.070 9.015 0.055 1
1 947 . 8 1 1 A 96 96 VAL HA H 74 4.719 4.829 -0.110 1
1 955 . 8 1 1 A 96 96 VAL C C 74 175.653 174.682 0.971 1
1 956 . 8 1 1 A 96 96 VAL CA C 74 60.790 60.930 -0.140 1
1 957 . 8 1 1 A 96 96 VAL CB C 74 35.290 35.579 -0.289 1
1 960 . 8 1 1 A 96 96 VAL N N 74 125.298 123.712 1.586 1
1 961 . 8 1 1 A 97 97 HIS H H 75 9.197 9.305 -0.108 1
1 962 . 8 1 1 A 97 97 HIS HA H 75 5.213 5.339 -0.126 1
1 966 . 8 1 1 A 97 97 HIS C C 75 176.245 174.242 2.003 1
1 967 . 8 1 1 A 97 97 HIS CA C 75 55.800 55.689 0.111 1
1 968 . 8 1 1 A 97 97 HIS CB C 75 32.170 30.475 1.695 1
1 970 . 8 1 1 A 97 97 HIS N N 75 125.299 126.149 -0.850 1
1 971 . 8 1 1 A 98 98 LEU H H 76 8.423 8.709 -0.286 1
1 972 . 8 1 1 A 98 98 LEU HA H 76 5.059 4.544 0.515 1
1 982 . 8 1 1 A 98 98 LEU C C 76 177.592 176.536 1.056 1
1 983 . 8 1 1 A 98 98 LEU CA C 76 54.150 54.226 -0.076 1
1 984 . 8 1 1 A 98 98 LEU CB C 76 43.540 42.578 0.962 1
1 988 . 8 1 1 A 98 98 LEU N N 76 126.291 126.704 -0.413 1
1 13 . 9 1 1 A 24 24 VAL H H 2 8.008 8.576 -0.568 1
1 14 . 9 1 1 A 24 24 VAL HA H 2 4.297 4.352 -0.055 1
1 22 . 9 1 1 A 24 24 VAL C C 2 175.571 175.668 -0.097 1
1 23 . 9 1 1 A 24 24 VAL CA C 2 60.030 61.601 -1.571 1
1 24 . 9 1 1 A 24 24 VAL CB C 2 34.710 32.049 2.661 1
1 27 . 9 1 1 A 24 24 VAL N N 2 118.399 120.833 -2.434 1
1 28 . 9 1 1 A 25 25 THR H H 3 8.520 8.973 -0.453 1
1 29 . 9 1 1 A 25 25 THR HA H 3 4.738 4.465 0.273 1
1 34 . 9 1 1 A 25 25 THR C C 3 175.275 173.509 1.766 1
1 35 . 9 1 1 A 25 25 THR CA C 3 62.350 62.956 -0.606 1
1 36 . 9 1 1 A 25 25 THR CB C 3 69.930 68.271 1.659 1
1 38 . 9 1 1 A 25 25 THR N N 3 121.522 122.815 -1.293 1
1 39 . 9 1 1 A 26 26 LEU H H 4 8.929 9.070 -0.141 1
1 40 . 9 1 1 A 26 26 LEU HA H 4 5.102 4.816 0.286 1
1 50 . 9 1 1 A 26 26 LEU C C 4 176.809 174.918 1.891 1
1 51 . 9 1 1 A 26 26 LEU CA C 4 52.850 54.140 -1.290 1
1 52 . 9 1 1 A 26 26 LEU CB C 4 45.140 43.568 1.572 1
1 56 . 9 1 1 A 26 26 LEU N N 4 127.076 128.595 -1.519 1
1 57 . 9 1 1 A 27 27 ILE H H 5 8.990 8.849 0.141 1
1 58 . 9 1 1 A 27 27 ILE HA H 5 4.682 4.544 0.138 1
1 68 . 9 1 1 A 27 27 ILE C C 5 176.962 175.377 1.585 1
1 69 . 9 1 1 A 27 27 ILE CA C 5 59.810 61.086 -1.276 1
1 70 . 9 1 1 A 27 27 ILE CB C 5 38.590 36.746 1.844 1
1 74 . 9 1 1 A 27 27 ILE N N 5 122.974 128.119 -5.145 1
1 75 . 9 1 1 A 28 28 ILE H H 6 9.288 8.927 0.361 1
1 76 . 9 1 1 A 28 28 ILE HA H 6 5.025 4.585 0.440 1
1 86 . 9 1 1 A 28 28 ILE C C 6 178.889 175.253 3.636 1
1 87 . 9 1 1 A 28 28 ILE CA C 6 57.620 60.738 -3.118 1
1 88 . 9 1 1 A 28 28 ILE CB C 6 36.680 36.928 -0.248 1
1 92 . 9 1 1 A 28 28 ILE N N 6 125.520 129.025 -3.505 1
1 93 . 9 1 1 A 29 29 LYS H H 7 8.832 8.632 0.200 1
1 94 . 9 1 1 A 29 29 LYS HA H 7 4.597 4.754 -0.157 1
1 103 . 9 1 1 A 29 29 LYS C C 7 176.414 176.187 0.227 1
1 104 . 9 1 1 A 29 29 LYS CA C 7 54.240 55.397 -1.157 1
1 105 . 9 1 1 A 29 29 LYS CB C 7 34.050 33.446 0.604 1
1 109 . 9 1 1 A 29 29 LYS N N 7 130.704 127.349 3.355 1
1 110 . 9 1 1 A 30 30 ALA H H 8 9.021 8.749 0.272 1
1 111 . 9 1 1 A 30 30 ALA HA H 8 5.221 4.558 0.663 1
1 115 . 9 1 1 A 30 30 ALA CA C 8 49.220 50.988 -1.768 1
1 116 . 9 1 1 A 30 30 ALA CB C 8 20.620 18.090 2.530 1
1 117 . 9 1 1 A 30 30 ALA N N 8 126.869 128.593 -1.724 1
1 118 . 9 1 1 A 31 31 PRO HA H 9 4.445 4.380 0.065 1
1 125 . 9 1 1 A 31 31 PRO CA C 9 63.990 65.613 -1.623 1
1 126 . 9 1 1 A 31 31 PRO CB C 9 31.860 31.785 0.075 1
1 129 . 9 1 1 A 32 32 ASN HA H 10 4.531 4.752 -0.221 1
1 134 . 9 1 1 A 32 32 ASN C C 10 176.666 175.065 1.601 1
1 135 . 9 1 1 A 32 32 ASN CA C 10 53.210 55.155 -1.945 1
1 136 . 9 1 1 A 32 32 ASN CB C 10 38.150 39.063 -0.913 1
1 138 . 9 1 1 A 33 33 GLN H H 11 8.123 8.014 0.109 1
1 139 . 9 1 1 A 33 33 GLN N N 11 114.038 118.020 -3.982 1
1 140 . 9 1 1 A 34 34 LYS HA H 12 3.817 4.129 -0.312 1
1 149 . 9 1 1 A 34 34 LYS C C 12 178.002 176.482 1.520 1
1 150 . 9 1 1 A 34 34 LYS CA C 12 58.290 58.594 -0.304 1
1 151 . 9 1 1 A 34 34 LYS CB C 12 32.570 31.978 0.592 1
1 155 . 9 1 1 A 35 35 TYR H H 13 6.845 7.784 -0.939 1
1 156 . 9 1 1 A 35 35 TYR HA H 13 4.654 4.601 0.053 1
1 163 . 9 1 1 A 35 35 TYR CA C 13 56.060 58.531 -2.471 1
1 164 . 9 1 1 A 35 35 TYR CB C 13 41.000 39.392 1.608 1
1 167 . 9 1 1 A 35 35 TYR N N 13 112.988 120.355 -7.367 1
1 168 . 9 1 1 A 36 36 SER HA H 14 4.376 4.517 -0.141 1
1 171 . 9 1 1 A 36 36 SER C C 14 177.170 173.709 3.461 1
1 172 . 9 1 1 A 36 36 SER CA C 14 58.160 58.756 -0.596 1
1 173 . 9 1 1 A 36 36 SER CB C 14 64.000 63.596 0.404 1
1 174 . 9 1 1 A 37 37 ASP H H 15 8.910 8.574 0.336 1
1 175 . 9 1 1 A 37 37 ASP HA H 15 4.622 4.773 -0.151 1
1 178 . 9 1 1 A 37 37 ASP C C 15 178.221 175.299 2.922 1
1 179 . 9 1 1 A 37 37 ASP CA C 15 55.680 54.099 1.581 1
1 180 . 9 1 1 A 37 37 ASP CB C 15 39.640 39.950 -0.310 1
1 181 . 9 1 1 A 37 37 ASP N N 15 125.921 124.510 1.411 1
1 182 . 9 1 1 A 38 38 GLN H H 16 8.224 9.004 -0.780 1
1 183 . 9 1 1 A 38 38 GLN HA H 16 4.653 4.701 -0.048 1
1 190 . 9 1 1 A 38 38 GLN C C 16 176.655 175.106 1.549 1
1 191 . 9 1 1 A 38 38 GLN CA C 16 53.230 55.578 -2.348 1
1 192 . 9 1 1 A 38 38 GLN CB C 16 31.390 29.054 2.336 1
1 194 . 9 1 1 A 38 38 GLN N N 16 121.123 125.718 -4.595 1
1 196 . 9 1 1 A 39 39 THR H H 17 8.733 8.533 0.200 1
1 197 . 9 1 1 A 39 39 THR HA H 17 4.936 4.677 0.259 1
1 202 . 9 1 1 A 39 39 THR C C 17 176.173 173.932 2.241 1
1 203 . 9 1 1 A 39 39 THR CA C 17 62.170 61.152 1.018 1
1 204 . 9 1 1 A 39 39 THR CB C 17 69.300 68.757 0.543 1
1 206 . 9 1 1 A 39 39 THR N N 17 120.324 118.746 1.578 1
1 207 . 9 1 1 A 40 40 ILE H H 18 9.424 8.773 0.651 1
1 208 . 9 1 1 A 40 40 ILE HA H 18 4.592 4.628 -0.036 1
1 218 . 9 1 1 A 40 40 ILE C C 18 176.184 175.850 0.334 1
1 219 . 9 1 1 A 40 40 ILE CA C 18 58.200 60.285 -2.085 1
1 220 . 9 1 1 A 40 40 ILE CB C 18 41.130 38.329 2.801 1
1 224 . 9 1 1 A 40 40 ILE N N 18 126.321 128.263 -1.942 1
1 225 . 9 1 1 A 41 41 SER H H 19 8.518 8.764 -0.246 1
1 226 . 9 1 1 A 41 41 SER HA H 19 4.939 4.821 0.118 1
1 229 . 9 1 1 A 41 41 SER C C 19 175.210 174.351 0.859 1
1 230 . 9 1 1 A 41 41 SER CA C 19 57.160 59.407 -2.247 1
1 231 . 9 1 1 A 41 41 SER CB C 19 63.660 63.324 0.336 1
1 232 . 9 1 1 A 41 41 SER N N 19 120.959 123.807 -2.848 1
1 233 . 9 1 1 A 42 42 CYS H H 20 8.444 8.574 -0.130 1
1 234 . 9 1 1 A 42 42 CYS HA H 20 3.546 5.385 -1.839 1
1 237 . 9 1 1 A 42 42 CYS CA C 20 55.410 57.896 -2.486 1
1 238 . 9 1 1 A 42 42 CYS CB C 20 28.570 33.780 -5.210 1
1 239 . 9 1 1 A 42 42 CYS N N 20 120.248 124.207 -3.959 1
1 240 . 9 1 1 A 43 43 PHE HA H 21 4.580 5.137 -0.557 1
1 248 . 9 1 1 A 43 43 PHE C C 21 177.980 174.939 3.041 1
1 249 . 9 1 1 A 43 43 PHE CA C 21 56.490 56.840 -0.350 1
1 250 . 9 1 1 A 43 43 PHE CB C 21 42.360 42.211 0.149 1
1 254 . 9 1 1 A 44 44 LEU H H 22 9.159 7.999 1.160 1
1 255 . 9 1 1 A 44 44 LEU HA H 22 3.779 4.169 -0.390 1
1 265 . 9 1 1 A 44 44 LEU C C 22 178.177 177.756 0.421 1
1 266 . 9 1 1 A 44 44 LEU CA C 22 56.980 55.419 1.561 1
1 267 . 9 1 1 A 44 44 LEU CB C 22 42.090 41.039 1.051 1
1 271 . 9 1 1 A 44 44 LEU N N 22 120.130 124.033 -3.903 1
1 272 . 9 1 1 A 45 45 ASN H H 23 8.058 8.195 -0.137 1
1 273 . 9 1 1 A 45 45 ASN HA H 23 4.650 4.326 0.324 1
1 276 . 9 1 1 A 45 45 ASN C C 23 178.364 175.233 3.131 1
1 277 . 9 1 1 A 45 45 ASN CA C 23 52.880 56.294 -3.414 1
1 278 . 9 1 1 A 45 45 ASN CB C 23 37.320 39.054 -1.734 1
1 279 . 9 1 1 A 45 45 ASN N N 23 112.017 118.446 -6.429 1
1 280 . 9 1 1 A 46 46 TRP H H 24 7.857 7.915 -0.058 1
1 281 . 9 1 1 A 46 46 TRP HA H 24 4.712 4.938 -0.226 1
1 290 . 9 1 1 A 46 46 TRP C C 24 178.802 176.465 2.337 1
1 291 . 9 1 1 A 46 46 TRP CA C 24 57.240 57.278 -0.038 1
1 292 . 9 1 1 A 46 46 TRP CB C 24 29.250 31.595 -2.345 1
1 298 . 9 1 1 A 46 46 TRP N N 24 121.301 116.677 4.624 1
1 300 . 9 1 1 A 47 47 THR H H 25 7.473 8.992 -1.519 1
1 301 . 9 1 1 A 47 47 THR HA H 25 5.097 4.639 0.458 1
1 306 . 9 1 1 A 47 47 THR C C 25 178.375 176.393 1.982 1
1 307 . 9 1 1 A 47 47 THR CA C 25 59.940 60.980 -1.040 1
1 308 . 9 1 1 A 47 47 THR CB C 25 71.080 71.207 -0.127 1
1 310 . 9 1 1 A 47 47 THR N N 25 109.055 114.180 -5.125 1
1 311 . 9 1 1 A 48 48 VAL H H 26 8.349 8.484 -0.135 1
1 312 . 9 1 1 A 48 48 VAL HA H 26 3.433 3.489 -0.056 1
1 320 . 9 1 1 A 48 48 VAL C C 26 180.548 178.316 2.232 1
1 321 . 9 1 1 A 48 48 VAL CA C 26 66.460 66.580 -0.120 1
1 322 . 9 1 1 A 48 48 VAL CB C 26 31.540 31.489 0.051 1
1 325 . 9 1 1 A 48 48 VAL N N 26 123.048 122.218 0.830 1
1 326 . 9 1 1 A 49 49 GLY H H 27 9.099 8.409 0.690 1
1 327 . 9 1 1 A 49 49 GLY HA2 H 27 3.895 3.644 0.251 1
1 328 . 9 1 1 A 49 49 GLY HA3 H 27 3.512 3.649 -0.137 1
1 329 . 9 1 1 A 49 49 GLY C C 27 177.909 175.419 2.490 1
1 330 . 9 1 1 A 49 49 GLY CA C 27 47.100 47.126 -0.026 1
1 331 . 9 1 1 A 49 49 GLY N N 27 107.086 107.458 -0.372 1
1 332 . 9 1 1 A 50 50 LYS H H 28 7.937 7.549 0.388 1
1 333 . 9 1 1 A 50 50 LYS HA H 28 3.907 3.882 0.025 1
1 342 . 9 1 1 A 50 50 LYS C C 28 180.866 179.200 1.666 1
1 343 . 9 1 1 A 50 50 LYS CA C 28 59.000 59.280 -0.280 1
1 344 . 9 1 1 A 50 50 LYS CB C 28 31.730 32.069 -0.339 1
1 348 . 9 1 1 A 50 50 LYS N N 28 125.227 122.311 2.916 1
1 349 . 9 1 1 A 51 51 LEU H H 29 8.364 8.051 0.313 1
1 350 . 9 1 1 A 51 51 LEU HA H 29 4.357 4.213 0.144 1
1 360 . 9 1 1 A 51 51 LEU C C 29 180.056 178.390 1.666 1
1 361 . 9 1 1 A 51 51 LEU CA C 29 58.360 57.550 0.810 1
1 362 . 9 1 1 A 51 51 LEU CB C 29 41.510 41.795 -0.285 1
1 366 . 9 1 1 A 51 51 LEU N N 29 122.366 121.217 1.149 1
1 367 . 9 1 1 A 52 52 LYS H H 30 8.711 8.067 0.644 1
1 368 . 9 1 1 A 52 52 LYS HA H 30 4.542 4.114 0.428 1
1 377 . 9 1 1 A 52 52 LYS C C 30 182.257 179.162 3.095 1
1 378 . 9 1 1 A 52 52 LYS CA C 30 59.310 59.290 0.020 1
1 379 . 9 1 1 A 52 52 LYS CB C 30 33.380 31.963 1.417 1
1 383 . 9 1 1 A 52 52 LYS N N 30 119.050 120.192 -1.142 1
1 384 . 9 1 1 A 53 53 THR H H 31 8.130 7.888 0.242 1
1 385 . 9 1 1 A 53 53 THR HA H 31 3.655 3.882 -0.227 1
1 390 . 9 1 1 A 53 53 THR C C 31 179.092 175.943 3.149 1
1 391 . 9 1 1 A 53 53 THR CA C 31 66.890 66.948 -0.058 1
1 392 . 9 1 1 A 53 53 THR CB C 31 68.370 68.307 0.063 1
1 394 . 9 1 1 A 53 53 THR N N 31 118.206 116.917 1.289 1
1 395 . 9 1 1 A 54 54 HIS H H 32 8.310 7.572 0.738 1
1 396 . 9 1 1 A 54 54 HIS HA H 32 4.566 4.227 0.339 1
1 400 . 9 1 1 A 54 54 HIS C C 32 180.735 177.339 3.396 1
1 401 . 9 1 1 A 54 54 HIS CA C 32 60.010 60.058 -0.048 1
1 402 . 9 1 1 A 54 54 HIS CB C 32 31.620 29.436 2.184 1
1 404 . 9 1 1 A 54 54 HIS N N 32 124.425 122.740 1.685 1
1 405 . 9 1 1 A 55 55 LEU H H 33 9.036 8.418 0.618 1
1 406 . 9 1 1 A 55 55 LEU HA H 33 3.958 3.847 0.111 1
1 416 . 9 1 1 A 55 55 LEU C C 33 180.877 179.272 1.605 1
1 417 . 9 1 1 A 55 55 LEU CA C 33 58.180 57.873 0.307 1
1 418 . 9 1 1 A 55 55 LEU CB C 33 40.710 41.588 -0.878 1
1 422 . 9 1 1 A 55 55 LEU N N 33 119.746 120.931 -1.185 1
1 423 . 9 1 1 A 56 56 SER H H 34 8.266 8.030 0.236 1
1 424 . 9 1 1 A 56 56 SER HA H 34 4.159 4.135 0.024 1
1 427 . 9 1 1 A 56 56 SER C C 34 176.015 176.305 -0.290 1
1 428 . 9 1 1 A 56 56 SER CA C 34 61.590 61.087 0.503 1
1 429 . 9 1 1 A 56 56 SER CB C 34 63.600 63.288 0.312 1
1 430 . 9 1 1 A 56 56 SER N N 34 114.534 113.717 0.817 1
1 431 . 9 1 1 A 57 57 ASN H H 35 7.273 7.758 -0.485 1
1 432 . 9 1 1 A 57 57 ASN HA H 35 4.799 4.611 0.188 1
1 437 . 9 1 1 A 57 57 ASN C C 35 179.004 176.780 2.224 1
1 438 . 9 1 1 A 57 57 ASN CA C 35 54.520 55.821 -1.301 1
1 439 . 9 1 1 A 57 57 ASN CB C 35 40.890 38.634 2.256 1
1 440 . 9 1 1 A 57 57 ASN N N 35 115.349 118.304 -2.955 1
1 442 . 9 1 1 A 58 58 VAL H H 36 7.810 6.857 0.953 1
1 443 . 9 1 1 A 58 58 VAL HA H 36 4.309 4.387 -0.078 1
1 451 . 9 1 1 A 58 58 VAL C C 36 178.446 175.285 3.161 1
1 452 . 9 1 1 A 58 58 VAL CA C 36 62.350 61.593 0.757 1
1 453 . 9 1 1 A 58 58 VAL CB C 36 32.980 32.471 0.509 1
1 456 . 9 1 1 A 58 58 VAL N N 36 110.874 108.165 2.709 1
1 457 . 9 1 1 A 59 59 TYR H H 37 8.896 7.612 1.284 1
1 458 . 9 1 1 A 59 59 TYR HA H 37 4.482 4.728 -0.246 1
1 465 . 9 1 1 A 59 59 TYR CA C 37 57.740 56.655 1.085 1
1 466 . 9 1 1 A 59 59 TYR CB C 37 40.440 39.618 0.822 1
1 469 . 9 1 1 A 59 59 TYR N N 37 127.773 124.455 3.318 1
1 470 . 9 1 1 A 60 60 PRO HA H 38 3.956 4.238 -0.282 1
1 477 . 9 1 1 A 60 60 PRO C C 38 178.511 177.565 0.946 1
1 478 . 9 1 1 A 60 60 PRO CA C 38 65.560 64.822 0.738 1
1 479 . 9 1 1 A 60 60 PRO CB C 38 31.860 31.677 0.183 1
1 482 . 9 1 1 A 61 61 SER H H 39 6.571 7.639 -1.068 1
1 483 . 9 1 1 A 61 61 SER HA H 39 4.238 4.307 -0.069 1
1 486 . 9 1 1 A 61 61 SER C C 39 175.774 174.065 1.709 1
1 487 . 9 1 1 A 61 61 SER CA C 39 58.290 61.151 -2.861 1
1 488 . 9 1 1 A 61 61 SER CB C 39 63.420 63.556 -0.136 1
1 489 . 9 1 1 A 61 61 SER N N 39 108.382 111.832 -3.450 1
1 490 . 9 1 1 A 62 62 LYS H H 40 8.384 7.787 0.597 1
1 491 . 9 1 1 A 62 62 LYS HA H 40 3.922 4.061 -0.139 1
1 500 . 9 1 1 A 62 62 LYS CA C 40 56.710 56.757 -0.047 1
1 501 . 9 1 1 A 62 62 LYS CB C 40 30.640 30.663 -0.023 1
1 505 . 9 1 1 A 62 62 LYS N N 40 118.443 119.181 -0.738 1
1 506 . 9 1 1 A 63 63 PRO HA H 41 4.284 4.659 -0.375 1
1 513 . 9 1 1 A 63 63 PRO C C 41 179.464 175.416 4.048 1
1 514 . 9 1 1 A 63 63 PRO CA C 41 62.620 62.254 0.366 1
1 515 . 9 1 1 A 63 63 PRO CB C 41 31.640 32.987 -1.347 1
1 518 . 9 1 1 A 64 64 LEU H H 42 8.689 8.373 0.316 1
1 519 . 9 1 1 A 64 64 LEU HA H 42 4.212 4.762 -0.550 1
1 529 . 9 1 1 A 64 64 LEU C C 42 182.476 177.368 5.108 1
1 530 . 9 1 1 A 64 64 LEU CA C 42 54.750 53.643 1.107 1
1 531 . 9 1 1 A 64 64 LEU CB C 42 41.360 43.818 -2.458 1
1 535 . 9 1 1 A 64 64 LEU N N 42 122.677 121.224 1.453 1
1 536 . 9 1 1 A 65 65 THR H H 43 8.858 8.888 -0.030 1
1 537 . 9 1 1 A 65 65 THR HA H 43 3.779 4.126 -0.347 1
1 542 . 9 1 1 A 65 65 THR C C 43 180.078 175.881 4.197 1
1 543 . 9 1 1 A 65 65 THR CA C 43 66.310 64.814 1.496 1
1 544 . 9 1 1 A 65 65 THR CB C 43 68.100 68.533 -0.433 1
1 546 . 9 1 1 A 65 65 THR N N 43 116.000 117.607 -1.607 1
1 547 . 9 1 1 A 66 66 LYS H H 44 7.921 8.647 -0.726 1
1 548 . 9 1 1 A 66 66 LYS HA H 44 4.125 4.065 0.060 1
1 557 . 9 1 1 A 66 66 LYS C C 44 177.953 178.351 -0.398 1
1 558 . 9 1 1 A 66 66 LYS CA C 44 57.730 59.072 -1.342 1
1 559 . 9 1 1 A 66 66 LYS CB C 44 31.890 32.033 -0.143 1
1 563 . 9 1 1 A 66 66 LYS N N 44 117.614 122.611 -4.997 1
1 564 . 9 1 1 A 67 67 ASP H H 45 7.394 7.556 -0.162 1
1 565 . 9 1 1 A 67 67 ASP HA H 45 4.746 4.625 0.121 1
1 568 . 9 1 1 A 67 67 ASP C C 45 177.876 177.207 0.669 1
1 569 . 9 1 1 A 67 67 ASP CA C 45 54.350 55.566 -1.216 1
1 570 . 9 1 1 A 67 67 ASP CB C 45 42.090 41.665 0.425 1
1 571 . 9 1 1 A 67 67 ASP N N 45 118.443 117.416 1.027 1
1 572 . 9 1 1 A 68 68 GLN H H 46 7.143 7.746 -0.603 1
1 573 . 9 1 1 A 68 68 GLN HA H 46 4.054 4.742 -0.688 1
1 578 . 9 1 1 A 68 68 GLN C C 46 177.515 175.906 1.609 1
1 579 . 9 1 1 A 68 68 GLN CA C 46 56.750 56.133 0.617 1
1 580 . 9 1 1 A 68 68 GLN CB C 46 31.150 29.867 1.283 1
1 582 . 9 1 1 A 68 68 GLN N N 46 120.205 117.102 3.103 1
1 583 . 9 1 1 A 69 69 ARG H H 47 8.269 8.782 -0.513 1
1 584 . 9 1 1 A 69 69 ARG HA H 47 4.334 5.171 -0.837 1
1 591 . 9 1 1 A 69 69 ARG C C 47 175.708 174.638 1.070 1
1 592 . 9 1 1 A 69 69 ARG CA C 47 55.010 54.329 0.681 1
1 593 . 9 1 1 A 69 69 ARG CB C 47 31.390 34.026 -2.636 1
1 596 . 9 1 1 A 69 69 ARG N N 47 124.781 124.192 0.589 1
1 597 . 9 1 1 A 70 70 LEU H H 48 8.254 8.875 -0.621 1
1 598 . 9 1 1 A 70 70 LEU HA H 48 5.444 5.150 0.294 1
1 608 . 9 1 1 A 70 70 LEU C C 48 177.175 176.023 1.152 1
1 609 . 9 1 1 A 70 70 LEU CA C 48 52.810 53.390 -0.580 1
1 610 . 9 1 1 A 70 70 LEU CB C 48 45.100 42.881 2.219 1
1 614 . 9 1 1 A 70 70 LEU N N 48 122.071 122.954 -0.883 1
1 615 . 9 1 1 A 71 71 VAL H H 49 9.251 9.016 0.235 1
1 616 . 9 1 1 A 71 71 VAL HA H 49 4.889 5.116 -0.227 1
1 624 . 9 1 1 A 71 71 VAL C C 49 177.208 173.614 3.594 1
1 625 . 9 1 1 A 71 71 VAL CA C 49 60.570 61.024 -0.454 1
1 626 . 9 1 1 A 71 71 VAL CB C 49 34.580 34.188 0.392 1
1 629 . 9 1 1 A 71 71 VAL N N 49 122.797 124.708 -1.911 1
1 630 . 9 1 1 A 72 72 TYR H H 50 8.684 9.030 -0.346 1
1 631 . 9 1 1 A 72 72 TYR HA H 50 5.155 4.858 0.297 1
1 638 . 9 1 1 A 72 72 TYR CA C 50 56.060 57.530 -1.470 1
1 639 . 9 1 1 A 72 72 TYR CB C 50 43.140 40.782 2.358 1
1 642 . 9 1 1 A 72 72 TYR N N 50 126.349 129.062 -2.713 1
1 643 . 9 1 1 A 73 73 SER HA H 51 3.673 3.870 -0.197 1
1 646 . 9 1 1 A 73 73 SER C C 51 177.153 173.482 3.671 1
1 647 . 9 1 1 A 73 73 SER CA C 51 58.000 59.023 -1.023 1
1 648 . 9 1 1 A 73 73 SER CB C 51 62.190 61.954 0.236 1
1 649 . 9 1 1 A 74 74 GLY H H 52 8.209 8.221 -0.012 1
1 650 . 9 1 1 A 74 74 GLY HA2 H 52 4.030 3.904 0.126 1
1 651 . 9 1 1 A 74 74 GLY HA3 H 52 3.346 3.925 -0.579 1
1 652 . 9 1 1 A 74 74 GLY C C 52 175.259 174.263 0.996 1
1 653 . 9 1 1 A 74 74 GLY CA C 52 44.990 44.970 0.020 1
1 654 . 9 1 1 A 74 74 GLY N N 52 103.501 106.332 -2.831 1
1 655 . 9 1 1 A 75 75 ARG H H 53 7.816 7.626 0.190 1
1 656 . 9 1 1 A 75 75 ARG HA H 53 4.555 4.505 0.050 1
1 663 . 9 1 1 A 75 75 ARG C C 53 176.321 175.212 1.109 1
1 664 . 9 1 1 A 75 75 ARG CA C 53 54.590 55.649 -1.059 1
1 665 . 9 1 1 A 75 75 ARG CB C 53 32.620 31.458 1.162 1
1 668 . 9 1 1 A 75 75 ARG N N 53 121.834 119.798 2.036 1
1 669 . 9 1 1 A 76 76 LEU H H 54 8.470 8.432 0.038 1
1 670 . 9 1 1 A 76 76 LEU HA H 54 4.500 4.733 -0.233 1
1 680 . 9 1 1 A 76 76 LEU C C 54 179.639 174.918 4.721 1
1 681 . 9 1 1 A 76 76 LEU CA C 54 55.260 54.863 0.397 1
1 682 . 9 1 1 A 76 76 LEU CB C 54 42.210 43.824 -1.614 1
1 686 . 9 1 1 A 76 76 LEU N N 54 127.239 124.725 2.514 1
1 687 . 9 1 1 A 77 77 LEU H H 55 8.863 8.936 -0.073 1
1 688 . 9 1 1 A 77 77 LEU HA H 55 4.605 4.846 -0.241 1
1 698 . 9 1 1 A 77 77 LEU CA C 55 52.230 51.364 0.866 1
1 699 . 9 1 1 A 77 77 LEU CB C 55 43.090 42.485 0.605 1
1 703 . 9 1 1 A 77 77 LEU N N 55 127.741 128.037 -0.296 1
1 704 . 9 1 1 A 78 78 PRO HA H 56 4.708 4.712 -0.004 1
1 711 . 9 1 1 A 78 78 PRO C C 56 179.519 176.870 2.649 1
1 712 . 9 1 1 A 78 78 PRO CA C 56 61.780 62.400 -0.620 1
1 713 . 9 1 1 A 78 78 PRO CB C 56 32.600 32.730 -0.130 1
1 716 . 9 1 1 A 79 79 ASP H H 57 8.109 8.765 -0.656 1
1 717 . 9 1 1 A 79 79 ASP HA H 57 4.122 4.213 -0.091 1
1 720 . 9 1 1 A 79 79 ASP C C 57 179.782 177.257 2.525 1
1 721 . 9 1 1 A 79 79 ASP CA C 57 57.380 55.681 1.699 1
1 722 . 9 1 1 A 79 79 ASP CB C 57 41.200 39.990 1.210 1
1 723 . 9 1 1 A 79 79 ASP N N 57 116.504 121.601 -5.097 1
1 724 . 9 1 1 A 80 80 HIS H H 58 7.815 7.771 0.044 1
1 725 . 9 1 1 A 80 80 HIS HA H 58 4.519 4.457 0.062 1
1 730 . 9 1 1 A 80 80 HIS C C 58 177.668 175.128 2.540 1
1 731 . 9 1 1 A 80 80 HIS CA C 58 57.110 57.271 -0.161 1
1 732 . 9 1 1 A 80 80 HIS CB C 58 30.770 29.658 1.112 1
1 735 . 9 1 1 A 80 80 HIS N N 58 112.239 115.092 -2.853 1
1 736 . 9 1 1 A 81 81 LEU H H 59 6.281 6.636 -0.355 1
1 737 . 9 1 1 A 81 81 LEU HA H 59 4.157 4.743 -0.586 1
1 747 . 9 1 1 A 81 81 LEU C C 59 178.501 176.433 2.068 1
1 748 . 9 1 1 A 81 81 LEU CA C 59 53.970 52.699 1.271 1
1 749 . 9 1 1 A 81 81 LEU CB C 59 43.360 44.589 -1.229 1
1 753 . 9 1 1 A 81 81 LEU N N 59 120.531 116.697 3.834 1
1 754 . 9 1 1 A 82 82 GLN H H 60 8.863 8.831 0.032 1
1 755 . 9 1 1 A 82 82 GLN HA H 60 4.891 4.449 0.442 1
1 762 . 9 1 1 A 82 82 GLN C C 60 180.417 177.702 2.715 1
1 763 . 9 1 1 A 82 82 GLN CA C 60 54.880 55.315 -0.435 1
1 764 . 9 1 1 A 82 82 GLN CB C 60 31.480 29.649 1.831 1
1 766 . 9 1 1 A 82 82 GLN N N 60 118.014 119.334 -1.320 1
1 768 . 9 1 1 A 83 83 LEU H H 61 8.688 8.784 -0.096 1
1 769 . 9 1 1 A 83 83 LEU HA H 61 3.705 3.864 -0.159 1
1 779 . 9 1 1 A 83 83 LEU C C 61 181.775 178.717 3.058 1
1 780 . 9 1 1 A 83 83 LEU CA C 61 58.510 57.965 0.545 1
1 781 . 9 1 1 A 83 83 LEU CB C 61 40.330 41.333 -1.003 1
1 785 . 9 1 1 A 83 83 LEU N N 61 121.910 124.225 -2.315 1
1 786 . 9 1 1 A 84 84 LYS H H 62 8.525 8.268 0.257 1
1 787 . 9 1 1 A 84 84 LYS HA H 62 3.972 3.987 -0.015 1
1 796 . 9 1 1 A 84 84 LYS C C 62 177.865 178.226 -0.361 1
1 797 . 9 1 1 A 84 84 LYS CA C 62 57.690 59.053 -1.363 1
1 798 . 9 1 1 A 84 84 LYS CB C 62 31.440 32.058 -0.618 1
1 802 . 9 1 1 A 84 84 LYS N N 62 115.896 117.454 -1.558 1
1 803 . 9 1 1 A 85 85 ASP H H 63 7.598 7.804 -0.206 1
1 804 . 9 1 1 A 85 85 ASP HA H 63 4.710 4.363 0.347 1
1 807 . 9 1 1 A 85 85 ASP C C 63 177.307 177.272 0.035 1
1 808 . 9 1 1 A 85 85 ASP CA C 63 55.460 56.564 -1.104 1
1 809 . 9 1 1 A 85 85 ASP CB C 63 42.000 41.445 0.555 1
1 810 . 9 1 1 A 85 85 ASP N N 63 118.917 119.541 -0.624 1
1 811 . 9 1 1 A 86 86 ILE H H 64 7.417 7.165 0.252 1
1 812 . 9 1 1 A 86 86 ILE HA H 64 4.027 3.889 0.138 1
1 822 . 9 1 1 A 86 86 ILE C C 64 177.055 177.545 -0.490 1
1 823 . 9 1 1 A 86 86 ILE CA C 64 62.150 63.552 -1.402 1
1 824 . 9 1 1 A 86 86 ILE CB C 64 42.670 38.568 4.102 1
1 828 . 9 1 1 A 86 86 ILE N N 64 117.599 116.669 0.930 1
1 829 . 9 1 1 A 87 87 LEU H H 65 7.399 7.540 -0.141 1
1 830 . 9 1 1 A 87 87 LEU HA H 65 3.695 3.751 -0.056 1
1 840 . 9 1 1 A 87 87 LEU C C 65 179.409 178.478 0.931 1
1 841 . 9 1 1 A 87 87 LEU CA C 65 55.040 54.918 0.122 1
1 842 . 9 1 1 A 87 87 LEU CB C 65 40.910 42.149 -1.239 1
1 846 . 9 1 1 A 87 87 LEU N N 65 116.948 120.448 -3.500 1
1 847 . 9 1 1 A 88 88 ARG H H 66 7.954 8.029 -0.075 1
1 848 . 9 1 1 A 88 88 ARG HA H 66 4.227 3.890 0.337 1
1 855 . 9 1 1 A 88 88 ARG C C 66 179.333 178.214 1.119 1
1 856 . 9 1 1 A 88 88 ARG CA C 66 56.960 58.913 -1.953 1
1 857 . 9 1 1 A 88 88 ARG CB C 66 30.570 29.806 0.764 1
1 860 . 9 1 1 A 88 88 ARG N N 66 122.752 121.159 1.593 1
1 861 . 9 1 1 A 89 89 LYS H H 67 8.374 7.892 0.482 1
1 862 . 9 1 1 A 89 89 LYS HA H 67 3.948 4.048 -0.100 1
1 871 . 9 1 1 A 89 89 LYS C C 67 179.278 178.223 1.055 1
1 872 . 9 1 1 A 89 89 LYS CA C 67 58.560 59.277 -0.717 1
1 873 . 9 1 1 A 89 89 LYS CB C 67 32.620 32.224 0.396 1
1 877 . 9 1 1 A 89 89 LYS N N 67 124.661 118.510 6.151 1
1 878 . 9 1 1 A 90 90 GLN H H 68 8.616 7.739 0.877 1
1 879 . 9 1 1 A 90 90 GLN HA H 68 4.169 4.481 -0.312 1
1 886 . 9 1 1 A 90 90 GLN C C 68 177.778 175.043 2.735 1
1 887 . 9 1 1 A 90 90 GLN CA C 68 56.670 55.162 1.508 1
1 888 . 9 1 1 A 90 90 GLN CB C 68 28.230 29.858 -1.628 1
1 890 . 9 1 1 A 90 90 GLN N N 68 115.896 115.099 0.797 1
1 892 . 9 1 1 A 91 91 ASP H H 69 7.319 7.466 -0.147 1
1 893 . 9 1 1 A 91 91 ASP HA H 69 4.523 4.439 0.084 1
1 896 . 9 1 1 A 91 91 ASP C C 69 177.164 175.482 1.682 1
1 897 . 9 1 1 A 91 91 ASP CA C 69 54.440 54.981 -0.541 1
1 898 . 9 1 1 A 91 91 ASP CB C 69 41.200 40.696 0.504 1
1 899 . 9 1 1 A 91 91 ASP N N 69 121.181 121.657 -0.476 1
1 900 . 9 1 1 A 92 92 GLU H H 70 8.320 8.412 -0.092 1
1 901 . 9 1 1 A 92 92 GLU HA H 70 3.892 4.525 -0.633 1
1 906 . 9 1 1 A 92 92 GLU C C 70 177.657 175.101 2.556 1
1 907 . 9 1 1 A 92 92 GLU CA C 70 57.260 57.997 -0.737 1
1 908 . 9 1 1 A 92 92 GLU CB C 70 30.750 31.793 -1.043 1
1 910 . 9 1 1 A 92 92 GLU N N 70 120.205 127.082 -6.877 1
1 911 . 9 1 1 A 93 93 TYR H H 71 7.251 7.989 -0.738 1
1 912 . 9 1 1 A 93 93 TYR HA H 71 4.550 5.544 -0.994 1
1 919 . 9 1 1 A 93 93 TYR C C 71 175.861 173.745 2.116 1
1 920 . 9 1 1 A 93 93 TYR CA C 71 55.550 55.754 -0.204 1
1 921 . 9 1 1 A 93 93 TYR CB C 71 39.680 42.471 -2.791 1
1 924 . 9 1 1 A 93 93 TYR N N 71 115.349 114.850 0.499 1
1 925 . 9 1 1 A 94 94 HIS H H 72 7.991 8.807 -0.816 1
1 926 . 9 1 1 A 94 94 HIS HA H 72 5.034 5.102 -0.068 1
1 930 . 9 1 1 A 94 94 HIS C C 72 176.157 174.211 1.946 1
1 931 . 9 1 1 A 94 94 HIS CA C 72 54.990 54.510 0.480 1
1 932 . 9 1 1 A 94 94 HIS CB C 72 33.910 33.279 0.631 1
1 934 . 9 1 1 A 94 94 HIS N N 72 120.146 118.901 1.245 1
1 935 . 9 1 1 A 95 95 MET H H 73 9.227 9.027 0.200 1
1 936 . 9 1 1 A 95 95 MET HA H 73 5.306 4.879 0.427 1
1 941 . 9 1 1 A 95 95 MET C C 73 176.891 175.350 1.541 1
1 942 . 9 1 1 A 95 95 MET CA C 73 54.500 54.500 0.000 1
1 943 . 9 1 1 A 95 95 MET CB C 73 33.690 32.639 1.051 1
1 945 . 9 1 1 A 95 95 MET N N 73 124.691 123.322 1.369 1
1 946 . 9 1 1 A 96 96 VAL H H 74 9.070 8.852 0.218 1
1 947 . 9 1 1 A 96 96 VAL HA H 74 4.719 4.764 -0.045 1
1 955 . 9 1 1 A 96 96 VAL C C 74 175.653 175.354 0.299 1
1 956 . 9 1 1 A 96 96 VAL CA C 74 60.790 61.195 -0.405 1
1 957 . 9 1 1 A 96 96 VAL CB C 74 35.290 33.415 1.875 1
1 960 . 9 1 1 A 96 96 VAL N N 74 125.298 125.464 -0.166 1
1 961 . 9 1 1 A 97 97 HIS H H 75 9.197 9.148 0.049 1
1 962 . 9 1 1 A 97 97 HIS HA H 75 5.213 5.004 0.209 1
1 966 . 9 1 1 A 97 97 HIS C C 75 176.245 175.150 1.095 1
1 967 . 9 1 1 A 97 97 HIS CA C 75 55.800 55.623 0.177 1
1 968 . 9 1 1 A 97 97 HIS CB C 75 32.170 30.079 2.091 1
1 970 . 9 1 1 A 97 97 HIS N N 75 125.299 126.530 -1.231 1
1 971 . 9 1 1 A 98 98 LEU H H 76 8.423 8.754 -0.331 1
1 972 . 9 1 1 A 98 98 LEU HA H 76 5.059 4.352 0.707 1
1 982 . 9 1 1 A 98 98 LEU C C 76 177.592 175.195 2.397 1
1 983 . 9 1 1 A 98 98 LEU CA C 76 54.150 55.989 -1.839 1
1 984 . 9 1 1 A 98 98 LEU CB C 76 43.540 42.307 1.233 1
1 988 . 9 1 1 A 98 98 LEU N N 76 126.291 127.214 -0.923 1
1 13 . 10 1 1 A 24 24 VAL H H 2 8.008 8.138 -0.130 1
1 14 . 10 1 1 A 24 24 VAL HA H 2 4.297 3.987 0.310 1
1 22 . 10 1 1 A 24 24 VAL C C 2 175.571 175.435 0.136 1
1 23 . 10 1 1 A 24 24 VAL CA C 2 60.030 61.871 -1.841 1
1 24 . 10 1 1 A 24 24 VAL CB C 2 34.710 31.282 3.428 1
1 27 . 10 1 1 A 24 24 VAL N N 2 118.399 122.645 -4.246 1
1 28 . 10 1 1 A 25 25 THR H H 3 8.520 8.683 -0.163 1
1 29 . 10 1 1 A 25 25 THR HA H 3 4.738 4.456 0.282 1
1 34 . 10 1 1 A 25 25 THR C C 3 175.275 173.106 2.169 1
1 35 . 10 1 1 A 25 25 THR CA C 3 62.350 62.834 -0.484 1
1 36 . 10 1 1 A 25 25 THR CB C 3 69.930 68.079 1.851 1
1 38 . 10 1 1 A 25 25 THR N N 3 121.522 122.352 -0.830 1
1 39 . 10 1 1 A 26 26 LEU H H 4 8.929 8.944 -0.015 1
1 40 . 10 1 1 A 26 26 LEU HA H 4 5.102 4.805 0.297 1
1 50 . 10 1 1 A 26 26 LEU C C 4 176.809 174.970 1.839 1
1 51 . 10 1 1 A 26 26 LEU CA C 4 52.850 54.059 -1.209 1
1 52 . 10 1 1 A 26 26 LEU CB C 4 45.140 43.288 1.852 1
1 56 . 10 1 1 A 26 26 LEU N N 4 127.076 128.959 -1.883 1
1 57 . 10 1 1 A 27 27 ILE H H 5 8.990 8.927 0.063 1
1 58 . 10 1 1 A 27 27 ILE HA H 5 4.682 4.575 0.107 1
1 68 . 10 1 1 A 27 27 ILE C C 5 176.962 175.462 1.500 1
1 69 . 10 1 1 A 27 27 ILE CA C 5 59.810 61.199 -1.389 1
1 70 . 10 1 1 A 27 27 ILE CB C 5 38.590 36.824 1.766 1
1 74 . 10 1 1 A 27 27 ILE N N 5 122.974 127.645 -4.671 1
1 75 . 10 1 1 A 28 28 ILE H H 6 9.288 8.972 0.316 1
1 76 . 10 1 1 A 28 28 ILE HA H 6 5.025 4.406 0.619 1
1 86 . 10 1 1 A 28 28 ILE C C 6 178.889 175.490 3.399 1
1 87 . 10 1 1 A 28 28 ILE CA C 6 57.620 61.335 -3.715 1
1 88 . 10 1 1 A 28 28 ILE CB C 6 36.680 37.600 -0.920 1
1 92 . 10 1 1 A 28 28 ILE N N 6 125.520 129.213 -3.693 1
1 93 . 10 1 1 A 29 29 LYS H H 7 8.832 8.754 0.078 1
1 94 . 10 1 1 A 29 29 LYS HA H 7 4.597 4.821 -0.224 1
1 103 . 10 1 1 A 29 29 LYS C C 7 176.414 175.897 0.517 1
1 104 . 10 1 1 A 29 29 LYS CA C 7 54.240 54.486 -0.246 1
1 105 . 10 1 1 A 29 29 LYS CB C 7 34.050 35.053 -1.003 1
1 109 . 10 1 1 A 29 29 LYS N N 7 130.704 127.678 3.026 1
1 110 . 10 1 1 A 30 30 ALA H H 8 9.021 8.755 0.266 1
1 111 . 10 1 1 A 30 30 ALA HA H 8 5.221 4.584 0.637 1
1 115 . 10 1 1 A 30 30 ALA CA C 8 49.220 50.819 -1.599 1
1 116 . 10 1 1 A 30 30 ALA CB C 8 20.620 17.931 2.689 1
1 117 . 10 1 1 A 30 30 ALA N N 8 126.869 127.344 -0.475 1
1 118 . 10 1 1 A 31 31 PRO HA H 9 4.445 4.628 -0.183 1
1 125 . 10 1 1 A 31 31 PRO CA C 9 63.990 64.575 -0.585 1
1 126 . 10 1 1 A 31 31 PRO CB C 9 31.860 32.007 -0.147 1
1 129 . 10 1 1 A 32 32 ASN HA H 10 4.531 4.678 -0.147 1
1 134 . 10 1 1 A 32 32 ASN C C 10 176.666 176.184 0.482 1
1 135 . 10 1 1 A 32 32 ASN CA C 10 53.210 53.857 -0.647 1
1 136 . 10 1 1 A 32 32 ASN CB C 10 38.150 39.166 -1.016 1
1 138 . 10 1 1 A 33 33 GLN H H 11 8.123 8.101 0.022 1
1 139 . 10 1 1 A 33 33 GLN N N 11 114.038 118.546 -4.508 1
1 140 . 10 1 1 A 34 34 LYS HA H 12 3.817 3.997 -0.180 1
1 149 . 10 1 1 A 34 34 LYS C C 12 178.002 176.639 1.363 1
1 150 . 10 1 1 A 34 34 LYS CA C 12 58.290 58.782 -0.492 1
1 151 . 10 1 1 A 34 34 LYS CB C 12 32.570 32.339 0.231 1
1 155 . 10 1 1 A 35 35 TYR H H 13 6.845 7.559 -0.714 1
1 156 . 10 1 1 A 35 35 TYR HA H 13 4.654 4.570 0.084 1
1 163 . 10 1 1 A 35 35 TYR CA C 13 56.060 58.622 -2.562 1
1 164 . 10 1 1 A 35 35 TYR CB C 13 41.000 38.683 2.317 1
1 167 . 10 1 1 A 35 35 TYR N N 13 112.988 118.102 -5.114 1
1 168 . 10 1 1 A 36 36 SER HA H 14 4.376 4.643 -0.267 1
1 171 . 10 1 1 A 36 36 SER C C 14 177.170 173.942 3.228 1
1 172 . 10 1 1 A 36 36 SER CA C 14 58.160 57.983 0.177 1
1 173 . 10 1 1 A 36 36 SER CB C 14 64.000 65.383 -1.383 1
1 174 . 10 1 1 A 37 37 ASP H H 15 8.910 8.596 0.314 1
1 175 . 10 1 1 A 37 37 ASP HA H 15 4.622 5.019 -0.397 1
1 178 . 10 1 1 A 37 37 ASP C C 15 178.221 175.524 2.697 1
1 179 . 10 1 1 A 37 37 ASP CA C 15 55.680 53.484 2.196 1
1 180 . 10 1 1 A 37 37 ASP CB C 15 39.640 39.836 -0.196 1
1 181 . 10 1 1 A 37 37 ASP N N 15 125.921 119.847 6.074 1
1 182 . 10 1 1 A 38 38 GLN H H 16 8.224 8.251 -0.027 1
1 183 . 10 1 1 A 38 38 GLN HA H 16 4.653 4.539 0.114 1
1 190 . 10 1 1 A 38 38 GLN C C 16 176.655 175.771 0.884 1
1 191 . 10 1 1 A 38 38 GLN CA C 16 53.230 55.859 -2.629 1
1 192 . 10 1 1 A 38 38 GLN CB C 16 31.390 29.305 2.085 1
1 194 . 10 1 1 A 38 38 GLN N N 16 121.123 125.272 -4.149 1
1 196 . 10 1 1 A 39 39 THR H H 17 8.733 8.512 0.221 1
1 197 . 10 1 1 A 39 39 THR HA H 17 4.936 4.724 0.212 1
1 202 . 10 1 1 A 39 39 THR C C 17 176.173 173.624 2.549 1
1 203 . 10 1 1 A 39 39 THR CA C 17 62.170 61.239 0.931 1
1 204 . 10 1 1 A 39 39 THR CB C 17 69.300 68.631 0.669 1
1 206 . 10 1 1 A 39 39 THR N N 17 120.324 116.322 4.002 1
1 207 . 10 1 1 A 40 40 ILE H H 18 9.424 8.813 0.611 1
1 208 . 10 1 1 A 40 40 ILE HA H 18 4.592 4.687 -0.095 1
1 218 . 10 1 1 A 40 40 ILE C C 18 176.184 175.345 0.839 1
1 219 . 10 1 1 A 40 40 ILE CA C 18 58.200 60.192 -1.992 1
1 220 . 10 1 1 A 40 40 ILE CB C 18 41.130 38.772 2.358 1
1 224 . 10 1 1 A 40 40 ILE N N 18 126.321 128.404 -2.083 1
1 225 . 10 1 1 A 41 41 SER H H 19 8.518 8.703 -0.185 1
1 226 . 10 1 1 A 41 41 SER HA H 19 4.939 4.508 0.431 1
1 229 . 10 1 1 A 41 41 SER C C 19 175.210 174.549 0.661 1
1 230 . 10 1 1 A 41 41 SER CA C 19 57.160 58.687 -1.527 1
1 231 . 10 1 1 A 41 41 SER CB C 19 63.660 63.415 0.245 1
1 232 . 10 1 1 A 41 41 SER N N 19 120.959 122.746 -1.787 1
1 233 . 10 1 1 A 42 42 CYS H H 20 8.444 8.717 -0.273 1
1 234 . 10 1 1 A 42 42 CYS HA H 20 3.546 5.222 -1.676 1
1 237 . 10 1 1 A 42 42 CYS CA C 20 55.410 56.214 -0.804 1
1 238 . 10 1 1 A 42 42 CYS CB C 20 28.570 32.751 -4.181 1
1 239 . 10 1 1 A 42 42 CYS N N 20 120.248 122.204 -1.956 1
1 240 . 10 1 1 A 43 43 PHE HA H 21 4.580 4.886 -0.306 1
1 248 . 10 1 1 A 43 43 PHE C C 21 177.980 175.814 2.166 1
1 249 . 10 1 1 A 43 43 PHE CA C 21 56.490 56.242 0.248 1
1 250 . 10 1 1 A 43 43 PHE CB C 21 42.360 42.400 -0.040 1
1 254 . 10 1 1 A 44 44 LEU H H 22 9.159 8.997 0.162 1
1 255 . 10 1 1 A 44 44 LEU HA H 22 3.779 4.108 -0.329 1
1 265 . 10 1 1 A 44 44 LEU C C 22 178.177 178.654 -0.477 1
1 266 . 10 1 1 A 44 44 LEU CA C 22 56.980 56.890 0.090 1
1 267 . 10 1 1 A 44 44 LEU CB C 22 42.090 41.436 0.654 1
1 271 . 10 1 1 A 44 44 LEU N N 22 120.130 125.366 -5.236 1
1 272 . 10 1 1 A 45 45 ASN H H 23 8.058 8.226 -0.168 1
1 273 . 10 1 1 A 45 45 ASN HA H 23 4.650 4.276 0.374 1
1 276 . 10 1 1 A 45 45 ASN C C 23 178.364 175.573 2.791 1
1 277 . 10 1 1 A 45 45 ASN CA C 23 52.880 56.160 -3.280 1
1 278 . 10 1 1 A 45 45 ASN CB C 23 37.320 39.151 -1.831 1
1 279 . 10 1 1 A 45 45 ASN N N 23 112.017 117.348 -5.331 1
1 280 . 10 1 1 A 46 46 TRP H H 24 7.857 7.640 0.217 1
1 281 . 10 1 1 A 46 46 TRP HA H 24 4.712 4.783 -0.071 1
1 290 . 10 1 1 A 46 46 TRP C C 24 178.802 176.357 2.445 1
1 291 . 10 1 1 A 46 46 TRP CA C 24 57.240 57.624 -0.384 1
1 292 . 10 1 1 A 46 46 TRP CB C 24 29.250 30.444 -1.194 1
1 298 . 10 1 1 A 46 46 TRP N N 24 121.301 117.553 3.748 1
1 300 . 10 1 1 A 47 47 THR H H 25 7.473 9.017 -1.544 1
1 301 . 10 1 1 A 47 47 THR HA H 25 5.097 4.678 0.419 1
1 306 . 10 1 1 A 47 47 THR C C 25 178.375 176.240 2.135 1
1 307 . 10 1 1 A 47 47 THR CA C 25 59.940 60.501 -0.561 1
1 308 . 10 1 1 A 47 47 THR CB C 25 71.080 71.502 -0.422 1
1 310 . 10 1 1 A 47 47 THR N N 25 109.055 114.019 -4.964 1
1 311 . 10 1 1 A 48 48 VAL H H 26 8.349 8.589 -0.240 1
1 312 . 10 1 1 A 48 48 VAL HA H 26 3.433 3.504 -0.071 1
1 320 . 10 1 1 A 48 48 VAL C C 26 180.548 178.288 2.260 1
1 321 . 10 1 1 A 48 48 VAL CA C 26 66.460 66.487 -0.027 1
1 322 . 10 1 1 A 48 48 VAL CB C 26 31.540 31.518 0.022 1
1 325 . 10 1 1 A 48 48 VAL N N 26 123.048 122.048 1.000 1
1 326 . 10 1 1 A 49 49 GLY H H 27 9.099 8.080 1.019 1
1 327 . 10 1 1 A 49 49 GLY HA2 H 27 3.895 3.737 0.158 1
1 328 . 10 1 1 A 49 49 GLY HA3 H 27 3.512 3.744 -0.232 1
1 329 . 10 1 1 A 49 49 GLY C C 27 177.909 175.440 2.469 1
1 330 . 10 1 1 A 49 49 GLY CA C 27 47.100 47.318 -0.218 1
1 331 . 10 1 1 A 49 49 GLY N N 27 107.086 107.310 -0.224 1
1 332 . 10 1 1 A 50 50 LYS H H 28 7.937 7.634 0.303 1
1 333 . 10 1 1 A 50 50 LYS HA H 28 3.907 3.938 -0.031 1
1 342 . 10 1 1 A 50 50 LYS C C 28 180.866 179.406 1.460 1
1 343 . 10 1 1 A 50 50 LYS CA C 28 59.000 59.288 -0.288 1
1 344 . 10 1 1 A 50 50 LYS CB C 28 31.730 32.137 -0.407 1
1 348 . 10 1 1 A 50 50 LYS N N 28 125.227 122.567 2.660 1
1 349 . 10 1 1 A 51 51 LEU H H 29 8.364 8.083 0.281 1
1 350 . 10 1 1 A 51 51 LEU HA H 29 4.357 4.114 0.243 1
1 360 . 10 1 1 A 51 51 LEU C C 29 180.056 178.327 1.729 1
1 361 . 10 1 1 A 51 51 LEU CA C 29 58.360 57.816 0.544 1
1 362 . 10 1 1 A 51 51 LEU CB C 29 41.510 41.663 -0.153 1
1 366 . 10 1 1 A 51 51 LEU N N 29 122.366 121.187 1.179 1
1 367 . 10 1 1 A 52 52 LYS H H 30 8.711 8.211 0.500 1
1 368 . 10 1 1 A 52 52 LYS HA H 30 4.542 4.110 0.432 1
1 377 . 10 1 1 A 52 52 LYS C C 30 182.257 179.116 3.141 1
1 378 . 10 1 1 A 52 52 LYS CA C 30 59.310 59.247 0.063 1
1 379 . 10 1 1 A 52 52 LYS CB C 30 33.380 31.983 1.397 1
1 383 . 10 1 1 A 52 52 LYS N N 30 119.050 119.611 -0.561 1
1 384 . 10 1 1 A 53 53 THR H H 31 8.130 7.969 0.161 1
1 385 . 10 1 1 A 53 53 THR HA H 31 3.655 3.881 -0.226 1
1 390 . 10 1 1 A 53 53 THR C C 31 179.092 176.130 2.962 1
1 391 . 10 1 1 A 53 53 THR CA C 31 66.890 66.848 0.042 1
1 392 . 10 1 1 A 53 53 THR CB C 31 68.370 68.412 -0.042 1
1 394 . 10 1 1 A 53 53 THR N N 31 118.206 116.278 1.928 1
1 395 . 10 1 1 A 54 54 HIS H H 32 8.310 7.641 0.669 1
1 396 . 10 1 1 A 54 54 HIS HA H 32 4.566 4.234 0.332 1
1 400 . 10 1 1 A 54 54 HIS C C 32 180.735 177.347 3.388 1
1 401 . 10 1 1 A 54 54 HIS CA C 32 60.010 60.014 -0.004 1
1 402 . 10 1 1 A 54 54 HIS CB C 32 31.620 29.614 2.006 1
1 404 . 10 1 1 A 54 54 HIS N N 32 124.425 121.434 2.991 1
1 405 . 10 1 1 A 55 55 LEU H H 33 9.036 8.580 0.456 1
1 406 . 10 1 1 A 55 55 LEU HA H 33 3.958 3.799 0.159 1
1 416 . 10 1 1 A 55 55 LEU C C 33 180.877 179.167 1.710 1
1 417 . 10 1 1 A 55 55 LEU CA C 33 58.180 57.926 0.254 1
1 418 . 10 1 1 A 55 55 LEU CB C 33 40.710 41.571 -0.861 1
1 422 . 10 1 1 A 55 55 LEU N N 33 119.746 120.949 -1.203 1
1 423 . 10 1 1 A 56 56 SER H H 34 8.266 8.001 0.265 1
1 424 . 10 1 1 A 56 56 SER HA H 34 4.159 4.133 0.026 1
1 427 . 10 1 1 A 56 56 SER C C 34 176.015 176.139 -0.124 1
1 428 . 10 1 1 A 56 56 SER CA C 34 61.590 61.044 0.546 1
1 429 . 10 1 1 A 56 56 SER CB C 34 63.600 63.213 0.387 1
1 430 . 10 1 1 A 56 56 SER N N 34 114.534 113.361 1.173 1
1 431 . 10 1 1 A 57 57 ASN H H 35 7.273 7.707 -0.434 1
1 432 . 10 1 1 A 57 57 ASN HA H 35 4.799 4.620 0.179 1
1 437 . 10 1 1 A 57 57 ASN C C 35 179.004 176.717 2.287 1
1 438 . 10 1 1 A 57 57 ASN CA C 35 54.520 55.751 -1.231 1
1 439 . 10 1 1 A 57 57 ASN CB C 35 40.890 38.804 2.086 1
1 440 . 10 1 1 A 57 57 ASN N N 35 115.349 118.588 -3.239 1
1 442 . 10 1 1 A 58 58 VAL H H 36 7.810 7.010 0.800 1
1 443 . 10 1 1 A 58 58 VAL HA H 36 4.309 4.414 -0.105 1
1 451 . 10 1 1 A 58 58 VAL C C 36 178.446 175.282 3.164 1
1 452 . 10 1 1 A 58 58 VAL CA C 36 62.350 61.138 1.212 1
1 453 . 10 1 1 A 58 58 VAL CB C 36 32.980 31.872 1.108 1
1 456 . 10 1 1 A 58 58 VAL N N 36 110.874 108.033 2.841 1
1 457 . 10 1 1 A 59 59 TYR H H 37 8.896 7.538 1.358 1
1 458 . 10 1 1 A 59 59 TYR HA H 37 4.482 4.695 -0.213 1
1 465 . 10 1 1 A 59 59 TYR CA C 37 57.740 57.001 0.739 1
1 466 . 10 1 1 A 59 59 TYR CB C 37 40.440 39.925 0.515 1
1 469 . 10 1 1 A 59 59 TYR N N 37 127.773 124.561 3.212 1
1 470 . 10 1 1 A 60 60 PRO HA H 38 3.956 4.314 -0.358 1
1 477 . 10 1 1 A 60 60 PRO C C 38 178.511 178.024 0.487 1
1 478 . 10 1 1 A 60 60 PRO CA C 38 65.560 65.002 0.558 1
1 479 . 10 1 1 A 60 60 PRO CB C 38 31.860 31.980 -0.120 1
1 482 . 10 1 1 A 61 61 SER H H 39 6.571 8.057 -1.486 1
1 483 . 10 1 1 A 61 61 SER HA H 39 4.238 4.424 -0.186 1
1 486 . 10 1 1 A 61 61 SER C C 39 175.774 174.127 1.647 1
1 487 . 10 1 1 A 61 61 SER CA C 39 58.290 61.050 -2.760 1
1 488 . 10 1 1 A 61 61 SER CB C 39 63.420 63.611 -0.191 1
1 489 . 10 1 1 A 61 61 SER N N 39 108.382 112.273 -3.891 1
1 490 . 10 1 1 A 62 62 LYS H H 40 8.384 8.091 0.293 1
1 491 . 10 1 1 A 62 62 LYS HA H 40 3.922 4.216 -0.294 1
1 500 . 10 1 1 A 62 62 LYS CA C 40 56.710 56.572 0.138 1
1 501 . 10 1 1 A 62 62 LYS CB C 40 30.640 30.894 -0.254 1
1 505 . 10 1 1 A 62 62 LYS N N 40 118.443 119.267 -0.824 1
1 506 . 10 1 1 A 63 63 PRO HA H 41 4.284 4.650 -0.366 1
1 513 . 10 1 1 A 63 63 PRO C C 41 179.464 175.457 4.007 1
1 514 . 10 1 1 A 63 63 PRO CA C 41 62.620 62.123 0.497 1
1 515 . 10 1 1 A 63 63 PRO CB C 41 31.640 32.918 -1.278 1
1 518 . 10 1 1 A 64 64 LEU H H 42 8.689 8.274 0.415 1
1 519 . 10 1 1 A 64 64 LEU HA H 42 4.212 4.536 -0.324 1
1 529 . 10 1 1 A 64 64 LEU C C 42 182.476 177.358 5.118 1
1 530 . 10 1 1 A 64 64 LEU CA C 42 54.750 53.876 0.874 1
1 531 . 10 1 1 A 64 64 LEU CB C 42 41.360 42.837 -1.477 1
1 535 . 10 1 1 A 64 64 LEU N N 42 122.677 121.232 1.445 1
1 536 . 10 1 1 A 65 65 THR H H 43 8.858 8.789 0.069 1
1 537 . 10 1 1 A 65 65 THR HA H 43 3.779 3.899 -0.120 1
1 542 . 10 1 1 A 65 65 THR C C 43 180.078 175.995 4.083 1
1 543 . 10 1 1 A 65 65 THR CA C 43 66.310 66.127 0.183 1
1 544 . 10 1 1 A 65 65 THR CB C 43 68.100 68.311 -0.211 1
1 546 . 10 1 1 A 65 65 THR N N 43 116.000 119.204 -3.204 1
1 547 . 10 1 1 A 66 66 LYS H H 44 7.921 8.462 -0.541 1
1 548 . 10 1 1 A 66 66 LYS HA H 44 4.125 4.033 0.092 1
1 557 . 10 1 1 A 66 66 LYS C C 44 177.953 177.906 0.047 1
1 558 . 10 1 1 A 66 66 LYS CA C 44 57.730 58.880 -1.150 1
1 559 . 10 1 1 A 66 66 LYS CB C 44 31.890 32.151 -0.261 1
1 563 . 10 1 1 A 66 66 LYS N N 44 117.614 120.688 -3.074 1
1 564 . 10 1 1 A 67 67 ASP H H 45 7.394 7.548 -0.154 1
1 565 . 10 1 1 A 67 67 ASP HA H 45 4.746 4.606 0.140 1
1 568 . 10 1 1 A 67 67 ASP C C 45 177.876 176.744 1.132 1
1 569 . 10 1 1 A 67 67 ASP CA C 45 54.350 55.261 -0.911 1
1 570 . 10 1 1 A 67 67 ASP CB C 45 42.090 41.434 0.656 1
1 571 . 10 1 1 A 67 67 ASP N N 45 118.443 117.416 1.027 1
1 572 . 10 1 1 A 68 68 GLN H H 46 7.143 7.697 -0.554 1
1 573 . 10 1 1 A 68 68 GLN HA H 46 4.054 4.340 -0.286 1
1 578 . 10 1 1 A 68 68 GLN C C 46 177.515 175.813 1.702 1
1 579 . 10 1 1 A 68 68 GLN CA C 46 56.750 56.201 0.549 1
1 580 . 10 1 1 A 68 68 GLN CB C 46 31.150 29.768 1.382 1
1 582 . 10 1 1 A 68 68 GLN N N 46 120.205 117.348 2.857 1
1 583 . 10 1 1 A 69 69 ARG H H 47 8.269 8.900 -0.631 1
1 584 . 10 1 1 A 69 69 ARG HA H 47 4.334 5.094 -0.760 1
1 591 . 10 1 1 A 69 69 ARG C C 47 175.708 174.761 0.947 1
1 592 . 10 1 1 A 69 69 ARG CA C 47 55.010 54.434 0.576 1
1 593 . 10 1 1 A 69 69 ARG CB C 47 31.390 34.194 -2.804 1
1 596 . 10 1 1 A 69 69 ARG N N 47 124.781 124.243 0.538 1
1 597 . 10 1 1 A 70 70 LEU H H 48 8.254 8.996 -0.742 1
1 598 . 10 1 1 A 70 70 LEU HA H 48 5.444 4.946 0.498 1
1 608 . 10 1 1 A 70 70 LEU C C 48 177.175 175.629 1.546 1
1 609 . 10 1 1 A 70 70 LEU CA C 48 52.810 53.603 -0.793 1
1 610 . 10 1 1 A 70 70 LEU CB C 48 45.100 42.517 2.583 1
1 614 . 10 1 1 A 70 70 LEU N N 48 122.071 123.805 -1.734 1
1 615 . 10 1 1 A 71 71 VAL H H 49 9.251 9.333 -0.082 1
1 616 . 10 1 1 A 71 71 VAL HA H 49 4.889 4.955 -0.066 1
1 624 . 10 1 1 A 71 71 VAL C C 49 177.208 174.024 3.184 1
1 625 . 10 1 1 A 71 71 VAL CA C 49 60.570 61.495 -0.925 1
1 626 . 10 1 1 A 71 71 VAL CB C 49 34.580 32.816 1.764 1
1 629 . 10 1 1 A 71 71 VAL N N 49 122.797 125.612 -2.815 1
1 630 . 10 1 1 A 72 72 TYR H H 50 8.684 9.045 -0.361 1
1 631 . 10 1 1 A 72 72 TYR HA H 50 5.155 4.982 0.173 1
1 638 . 10 1 1 A 72 72 TYR CA C 50 56.060 57.427 -1.367 1
1 639 . 10 1 1 A 72 72 TYR CB C 50 43.140 40.277 2.863 1
1 642 . 10 1 1 A 72 72 TYR N N 50 126.349 129.194 -2.845 1
1 643 . 10 1 1 A 73 73 SER HA H 51 3.673 3.988 -0.315 1
1 646 . 10 1 1 A 73 73 SER C C 51 177.153 173.493 3.660 1
1 647 . 10 1 1 A 73 73 SER CA C 51 58.000 59.103 -1.103 1
1 648 . 10 1 1 A 73 73 SER CB C 51 62.190 62.071 0.119 1
1 649 . 10 1 1 A 74 74 GLY H H 52 8.209 8.307 -0.098 1
1 650 . 10 1 1 A 74 74 GLY HA2 H 52 4.030 4.035 -0.005 1
1 651 . 10 1 1 A 74 74 GLY HA3 H 52 3.346 4.048 -0.702 1
1 652 . 10 1 1 A 74 74 GLY C C 52 175.259 174.546 0.713 1
1 653 . 10 1 1 A 74 74 GLY CA C 52 44.990 45.163 -0.173 1
1 654 . 10 1 1 A 74 74 GLY N N 52 103.501 106.361 -2.860 1
1 655 . 10 1 1 A 75 75 ARG H H 53 7.816 7.668 0.148 1
1 656 . 10 1 1 A 75 75 ARG HA H 53 4.555 4.392 0.163 1
1 663 . 10 1 1 A 75 75 ARG C C 53 176.321 175.177 1.144 1
1 664 . 10 1 1 A 75 75 ARG CA C 53 54.590 55.892 -1.302 1
1 665 . 10 1 1 A 75 75 ARG CB C 53 32.620 31.290 1.330 1
1 668 . 10 1 1 A 75 75 ARG N N 53 121.834 120.041 1.793 1
1 669 . 10 1 1 A 76 76 LEU H H 54 8.470 8.519 -0.049 1
1 670 . 10 1 1 A 76 76 LEU HA H 54 4.500 4.998 -0.498 1
1 680 . 10 1 1 A 76 76 LEU C C 54 179.639 174.702 4.937 1
1 681 . 10 1 1 A 76 76 LEU CA C 54 55.260 53.785 1.475 1
1 682 . 10 1 1 A 76 76 LEU CB C 54 42.210 44.517 -2.307 1
1 686 . 10 1 1 A 76 76 LEU N N 54 127.239 124.147 3.092 1
1 687 . 10 1 1 A 77 77 LEU H H 55 8.863 9.137 -0.274 1
1 688 . 10 1 1 A 77 77 LEU HA H 55 4.605 4.836 -0.231 1
1 698 . 10 1 1 A 77 77 LEU CA C 55 52.230 51.332 0.898 1
1 699 . 10 1 1 A 77 77 LEU CB C 55 43.090 42.659 0.431 1
1 703 . 10 1 1 A 77 77 LEU N N 55 127.741 128.309 -0.568 1
1 704 . 10 1 1 A 78 78 PRO HA H 56 4.708 4.671 0.037 1
1 711 . 10 1 1 A 78 78 PRO C C 56 179.519 177.207 2.312 1
1 712 . 10 1 1 A 78 78 PRO CA C 56 61.780 62.653 -0.873 1
1 713 . 10 1 1 A 78 78 PRO CB C 56 32.600 32.828 -0.228 1
1 716 . 10 1 1 A 79 79 ASP H H 57 8.109 8.715 -0.606 1
1 717 . 10 1 1 A 79 79 ASP HA H 57 4.122 4.261 -0.139 1
1 720 . 10 1 1 A 79 79 ASP C C 57 179.782 177.430 2.352 1
1 721 . 10 1 1 A 79 79 ASP CA C 57 57.380 56.479 0.901 1
1 722 . 10 1 1 A 79 79 ASP CB C 57 41.200 40.067 1.133 1
1 723 . 10 1 1 A 79 79 ASP N N 57 116.504 123.088 -6.584 1
1 724 . 10 1 1 A 80 80 HIS H H 58 7.815 7.658 0.157 1
1 725 . 10 1 1 A 80 80 HIS HA H 58 4.519 4.486 0.033 1
1 730 . 10 1 1 A 80 80 HIS C C 58 177.668 175.348 2.320 1
1 731 . 10 1 1 A 80 80 HIS CA C 58 57.110 57.181 -0.071 1
1 732 . 10 1 1 A 80 80 HIS CB C 58 30.770 29.922 0.848 1
1 735 . 10 1 1 A 80 80 HIS N N 58 112.239 114.311 -2.072 1
1 736 . 10 1 1 A 81 81 LEU H H 59 6.281 6.643 -0.362 1
1 737 . 10 1 1 A 81 81 LEU HA H 59 4.157 4.666 -0.509 1
1 747 . 10 1 1 A 81 81 LEU C C 59 178.501 176.760 1.741 1
1 748 . 10 1 1 A 81 81 LEU CA C 59 53.970 53.176 0.794 1
1 749 . 10 1 1 A 81 81 LEU CB C 59 43.360 43.874 -0.514 1
1 753 . 10 1 1 A 81 81 LEU N N 59 120.531 117.126 3.405 1
1 754 . 10 1 1 A 82 82 GLN H H 60 8.863 8.779 0.084 1
1 755 . 10 1 1 A 82 82 GLN HA H 60 4.891 4.329 0.562 1
1 762 . 10 1 1 A 82 82 GLN C C 60 180.417 177.641 2.776 1
1 763 . 10 1 1 A 82 82 GLN CA C 60 54.880 56.311 -1.431 1
1 764 . 10 1 1 A 82 82 GLN CB C 60 31.480 29.531 1.949 1
1 766 . 10 1 1 A 82 82 GLN N N 60 118.014 120.408 -2.394 1
1 768 . 10 1 1 A 83 83 LEU H H 61 8.688 8.445 0.243 1
1 769 . 10 1 1 A 83 83 LEU HA H 61 3.705 3.912 -0.207 1
1 779 . 10 1 1 A 83 83 LEU C C 61 181.775 178.662 3.113 1
1 780 . 10 1 1 A 83 83 LEU CA C 61 58.510 57.950 0.560 1
1 781 . 10 1 1 A 83 83 LEU CB C 61 40.330 41.314 -0.984 1
1 785 . 10 1 1 A 83 83 LEU N N 61 121.910 123.868 -1.958 1
1 786 . 10 1 1 A 84 84 LYS H H 62 8.525 8.315 0.210 1
1 787 . 10 1 1 A 84 84 LYS HA H 62 3.972 4.019 -0.047 1
1 796 . 10 1 1 A 84 84 LYS C C 62 177.865 178.230 -0.365 1
1 797 . 10 1 1 A 84 84 LYS CA C 62 57.690 59.085 -1.395 1
1 798 . 10 1 1 A 84 84 LYS CB C 62 31.440 31.904 -0.464 1
1 802 . 10 1 1 A 84 84 LYS N N 62 115.896 117.481 -1.585 1
1 803 . 10 1 1 A 85 85 ASP H H 63 7.598 7.916 -0.318 1
1 804 . 10 1 1 A 85 85 ASP HA H 63 4.710 4.368 0.342 1
1 807 . 10 1 1 A 85 85 ASP C C 63 177.307 177.433 -0.126 1
1 808 . 10 1 1 A 85 85 ASP CA C 63 55.460 56.919 -1.459 1
1 809 . 10 1 1 A 85 85 ASP CB C 63 42.000 41.377 0.623 1
1 810 . 10 1 1 A 85 85 ASP N N 63 118.917 119.558 -0.641 1
1 811 . 10 1 1 A 86 86 ILE H H 64 7.417 7.160 0.257 1
1 812 . 10 1 1 A 86 86 ILE HA H 64 4.027 4.097 -0.070 1
1 822 . 10 1 1 A 86 86 ILE C C 64 177.055 177.065 -0.010 1
1 823 . 10 1 1 A 86 86 ILE CA C 64 62.150 62.318 -0.168 1
1 824 . 10 1 1 A 86 86 ILE CB C 64 42.670 39.329 3.341 1
1 828 . 10 1 1 A 86 86 ILE N N 64 117.599 116.604 0.995 1
1 829 . 10 1 1 A 87 87 LEU H H 65 7.399 7.493 -0.094 1
1 830 . 10 1 1 A 87 87 LEU HA H 65 3.695 3.954 -0.259 1
1 840 . 10 1 1 A 87 87 LEU C C 65 179.409 177.307 2.102 1
1 841 . 10 1 1 A 87 87 LEU CA C 65 55.040 54.401 0.639 1
1 842 . 10 1 1 A 87 87 LEU CB C 65 40.910 41.561 -0.651 1
1 846 . 10 1 1 A 87 87 LEU N N 65 116.948 119.303 -2.355 1
1 847 . 10 1 1 A 88 88 ARG H H 66 7.954 7.607 0.347 1
1 848 . 10 1 1 A 88 88 ARG HA H 66 4.227 3.911 0.316 1
1 855 . 10 1 1 A 88 88 ARG C C 66 179.333 178.221 1.112 1
1 856 . 10 1 1 A 88 88 ARG CA C 66 56.960 59.264 -2.304 1
1 857 . 10 1 1 A 88 88 ARG CB C 66 30.570 29.756 0.814 1
1 860 . 10 1 1 A 88 88 ARG N N 66 122.752 121.093 1.659 1
1 861 . 10 1 1 A 89 89 LYS H H 67 8.374 8.299 0.075 1
1 862 . 10 1 1 A 89 89 LYS HA H 67 3.948 4.016 -0.068 1
1 871 . 10 1 1 A 89 89 LYS C C 67 179.278 178.641 0.637 1
1 872 . 10 1 1 A 89 89 LYS CA C 67 58.560 59.791 -1.231 1
1 873 . 10 1 1 A 89 89 LYS CB C 67 32.620 32.335 0.285 1
1 877 . 10 1 1 A 89 89 LYS N N 67 124.661 118.527 6.134 1
1 878 . 10 1 1 A 90 90 GLN H H 68 8.616 8.098 0.518 1
1 879 . 10 1 1 A 90 90 GLN HA H 68 4.169 4.434 -0.265 1
1 886 . 10 1 1 A 90 90 GLN C C 68 177.778 176.562 1.216 1
1 887 . 10 1 1 A 90 90 GLN CA C 68 56.670 56.313 0.357 1
1 888 . 10 1 1 A 90 90 GLN CB C 68 28.230 30.132 -1.902 1
1 890 . 10 1 1 A 90 90 GLN N N 68 115.896 116.340 -0.444 1
1 892 . 10 1 1 A 91 91 ASP H H 69 7.319 8.296 -0.977 1
1 893 . 10 1 1 A 91 91 ASP HA H 69 4.523 4.824 -0.301 1
1 896 . 10 1 1 A 91 91 ASP C C 69 177.164 177.312 -0.148 1
1 897 . 10 1 1 A 91 91 ASP CA C 69 54.440 56.229 -1.789 1
1 898 . 10 1 1 A 91 91 ASP CB C 69 41.200 40.504 0.696 1
1 899 . 10 1 1 A 91 91 ASP N N 69 121.181 119.473 1.708 1
1 900 . 10 1 1 A 92 92 GLU H H 70 8.320 8.537 -0.217 1
1 901 . 10 1 1 A 92 92 GLU HA H 70 3.892 3.994 -0.102 1
1 906 . 10 1 1 A 92 92 GLU C C 70 177.657 175.863 1.794 1
1 907 . 10 1 1 A 92 92 GLU CA C 70 57.260 58.951 -1.691 1
1 908 . 10 1 1 A 92 92 GLU CB C 70 30.750 29.434 1.316 1
1 910 . 10 1 1 A 92 92 GLU N N 70 120.205 117.683 2.522 1
1 911 . 10 1 1 A 93 93 TYR H H 71 7.251 7.581 -0.330 1
1 912 . 10 1 1 A 93 93 TYR HA H 71 4.550 5.373 -0.823 1
1 919 . 10 1 1 A 93 93 TYR C C 71 175.861 174.643 1.218 1
1 920 . 10 1 1 A 93 93 TYR CA C 71 55.550 56.627 -1.077 1
1 921 . 10 1 1 A 93 93 TYR CB C 71 39.680 42.315 -2.635 1
1 924 . 10 1 1 A 93 93 TYR N N 71 115.349 115.602 -0.253 1
1 925 . 10 1 1 A 94 94 HIS H H 72 7.991 8.790 -0.799 1
1 926 . 10 1 1 A 94 94 HIS HA H 72 5.034 5.079 -0.045 1
1 930 . 10 1 1 A 94 94 HIS C C 72 176.157 174.064 2.093 1
1 931 . 10 1 1 A 94 94 HIS CA C 72 54.990 54.705 0.285 1
1 932 . 10 1 1 A 94 94 HIS CB C 72 33.910 33.957 -0.047 1
1 934 . 10 1 1 A 94 94 HIS N N 72 120.146 118.866 1.280 1
1 935 . 10 1 1 A 95 95 MET H H 73 9.227 9.489 -0.262 1
1 936 . 10 1 1 A 95 95 MET HA H 73 5.306 5.767 -0.461 1
1 941 . 10 1 1 A 95 95 MET C C 73 176.891 175.432 1.459 1
1 942 . 10 1 1 A 95 95 MET CA C 73 54.500 53.577 0.923 1
1 943 . 10 1 1 A 95 95 MET CB C 73 33.690 34.472 -0.782 1
1 945 . 10 1 1 A 95 95 MET N N 73 124.691 121.809 2.882 1
1 946 . 10 1 1 A 96 96 VAL H H 74 9.070 9.112 -0.042 1
1 947 . 10 1 1 A 96 96 VAL HA H 74 4.719 4.820 -0.101 1
1 955 . 10 1 1 A 96 96 VAL C C 74 175.653 174.818 0.835 1
1 956 . 10 1 1 A 96 96 VAL CA C 74 60.790 60.895 -0.105 1
1 957 . 10 1 1 A 96 96 VAL CB C 74 35.290 35.749 -0.459 1
1 960 . 10 1 1 A 96 96 VAL N N 74 125.298 122.914 2.384 1
1 961 . 10 1 1 A 97 97 HIS H H 75 9.197 9.288 -0.091 1
1 962 . 10 1 1 A 97 97 HIS HA H 75 5.213 5.259 -0.046 1
1 966 . 10 1 1 A 97 97 HIS C C 75 176.245 174.223 2.022 1
1 967 . 10 1 1 A 97 97 HIS CA C 75 55.800 55.729 0.071 1
1 968 . 10 1 1 A 97 97 HIS CB C 75 32.170 29.699 2.471 1
1 970 . 10 1 1 A 97 97 HIS N N 75 125.299 125.976 -0.677 1
1 971 . 10 1 1 A 98 98 LEU H H 76 8.423 8.769 -0.346 1
1 972 . 10 1 1 A 98 98 LEU HA H 76 5.059 4.527 0.532 1
1 982 . 10 1 1 A 98 98 LEU C C 76 177.592 176.439 1.153 1
1 983 . 10 1 1 A 98 98 LEU CA C 76 54.150 54.411 -0.261 1
1 984 . 10 1 1 A 98 98 LEU CB C 76 43.540 41.537 2.003 1
1 988 . 10 1 1 A 98 98 LEU N N 76 126.291 127.132 -0.841 1
1 13 . 11 1 1 A 24 24 VAL H H 2 8.008 8.304 -0.296 1
1 14 . 11 1 1 A 24 24 VAL HA H 2 4.297 4.570 -0.273 1
1 22 . 11 1 1 A 24 24 VAL C C 2 175.571 175.424 0.147 1
1 23 . 11 1 1 A 24 24 VAL CA C 2 60.030 61.750 -1.720 1
1 24 . 11 1 1 A 24 24 VAL CB C 2 34.710 30.875 3.835 1
1 27 . 11 1 1 A 24 24 VAL N N 2 118.399 120.944 -2.545 1
1 28 . 11 1 1 A 25 25 THR H H 3 8.520 8.568 -0.048 1
1 29 . 11 1 1 A 25 25 THR HA H 3 4.738 4.481 0.257 1
1 34 . 11 1 1 A 25 25 THR C C 3 175.275 173.180 2.095 1
1 35 . 11 1 1 A 25 25 THR CA C 3 62.350 63.029 -0.679 1
1 36 . 11 1 1 A 25 25 THR CB C 3 69.930 68.092 1.838 1
1 38 . 11 1 1 A 25 25 THR N N 3 121.522 124.077 -2.555 1
1 39 . 11 1 1 A 26 26 LEU H H 4 8.929 9.109 -0.180 1
1 40 . 11 1 1 A 26 26 LEU HA H 4 5.102 4.971 0.131 1
1 50 . 11 1 1 A 26 26 LEU C C 4 176.809 175.003 1.806 1
1 51 . 11 1 1 A 26 26 LEU CA C 4 52.850 53.930 -1.080 1
1 52 . 11 1 1 A 26 26 LEU CB C 4 45.140 43.857 1.283 1
1 56 . 11 1 1 A 26 26 LEU N N 4 127.076 128.931 -1.855 1
1 57 . 11 1 1 A 27 27 ILE H H 5 8.990 8.894 0.096 1
1 58 . 11 1 1 A 27 27 ILE HA H 5 4.682 4.722 -0.040 1
1 68 . 11 1 1 A 27 27 ILE C C 5 176.962 175.436 1.526 1
1 69 . 11 1 1 A 27 27 ILE CA C 5 59.810 61.295 -1.485 1
1 70 . 11 1 1 A 27 27 ILE CB C 5 38.590 36.780 1.810 1
1 74 . 11 1 1 A 27 27 ILE N N 5 122.974 127.718 -4.744 1
1 75 . 11 1 1 A 28 28 ILE H H 6 9.288 8.993 0.295 1
1 76 . 11 1 1 A 28 28 ILE HA H 6 5.025 4.786 0.239 1
1 86 . 11 1 1 A 28 28 ILE C C 6 178.889 175.462 3.427 1
1 87 . 11 1 1 A 28 28 ILE CA C 6 57.620 60.643 -3.023 1
1 88 . 11 1 1 A 28 28 ILE CB C 6 36.680 37.081 -0.401 1
1 92 . 11 1 1 A 28 28 ILE N N 6 125.520 129.080 -3.560 1
1 93 . 11 1 1 A 29 29 LYS H H 7 8.832 8.909 -0.077 1
1 94 . 11 1 1 A 29 29 LYS HA H 7 4.597 4.893 -0.296 1
1 103 . 11 1 1 A 29 29 LYS C C 7 176.414 176.359 0.055 1
1 104 . 11 1 1 A 29 29 LYS CA C 7 54.240 54.454 -0.214 1
1 105 . 11 1 1 A 29 29 LYS CB C 7 34.050 34.664 -0.614 1
1 109 . 11 1 1 A 29 29 LYS N N 7 130.704 127.589 3.115 1
1 110 . 11 1 1 A 30 30 ALA H H 8 9.021 8.828 0.193 1
1 111 . 11 1 1 A 30 30 ALA HA H 8 5.221 4.770 0.451 1
1 115 . 11 1 1 A 30 30 ALA CA C 8 49.220 50.584 -1.364 1
1 116 . 11 1 1 A 30 30 ALA CB C 8 20.620 19.123 1.497 1
1 117 . 11 1 1 A 30 30 ALA N N 8 126.869 124.286 2.583 1
1 118 . 11 1 1 A 31 31 PRO HA H 9 4.445 4.336 0.109 1
1 125 . 11 1 1 A 31 31 PRO CA C 9 63.990 65.203 -1.213 1
1 126 . 11 1 1 A 31 31 PRO CB C 9 31.860 31.967 -0.107 1
1 129 . 11 1 1 A 32 32 ASN HA H 10 4.531 4.743 -0.212 1
1 134 . 11 1 1 A 32 32 ASN C C 10 176.666 175.034 1.632 1
1 135 . 11 1 1 A 32 32 ASN CA C 10 53.210 54.422 -1.212 1
1 136 . 11 1 1 A 32 32 ASN CB C 10 38.150 38.948 -0.798 1
1 138 . 11 1 1 A 33 33 GLN H H 11 8.123 7.875 0.248 1
1 139 . 11 1 1 A 33 33 GLN N N 11 114.038 118.257 -4.219 1
1 140 . 11 1 1 A 34 34 LYS HA H 12 3.817 3.921 -0.104 1
1 149 . 11 1 1 A 34 34 LYS C C 12 178.002 175.647 2.355 1
1 150 . 11 1 1 A 34 34 LYS CA C 12 58.290 58.463 -0.173 1
1 151 . 11 1 1 A 34 34 LYS CB C 12 32.570 32.841 -0.271 1
1 155 . 11 1 1 A 35 35 TYR H H 13 6.845 8.165 -1.320 1
1 156 . 11 1 1 A 35 35 TYR HA H 13 4.654 5.076 -0.422 1
1 163 . 11 1 1 A 35 35 TYR CA C 13 56.060 57.168 -1.108 1
1 164 . 11 1 1 A 35 35 TYR CB C 13 41.000 41.018 -0.018 1
1 167 . 11 1 1 A 35 35 TYR N N 13 112.988 116.968 -3.980 1
1 168 . 11 1 1 A 36 36 SER HA H 14 4.376 4.681 -0.305 1
1 171 . 11 1 1 A 36 36 SER C C 14 177.170 173.468 3.702 1
1 172 . 11 1 1 A 36 36 SER CA C 14 58.160 58.002 0.158 1
1 173 . 11 1 1 A 36 36 SER CB C 14 64.000 64.532 -0.532 1
1 174 . 11 1 1 A 37 37 ASP H H 15 8.910 8.544 0.366 1
1 175 . 11 1 1 A 37 37 ASP HA H 15 4.622 5.157 -0.535 1
1 178 . 11 1 1 A 37 37 ASP C C 15 178.221 175.140 3.081 1
1 179 . 11 1 1 A 37 37 ASP CA C 15 55.680 53.248 2.432 1
1 180 . 11 1 1 A 37 37 ASP CB C 15 39.640 40.600 -0.960 1
1 181 . 11 1 1 A 37 37 ASP N N 15 125.921 122.246 3.675 1
1 182 . 11 1 1 A 38 38 GLN H H 16 8.224 8.539 -0.315 1
1 183 . 11 1 1 A 38 38 GLN HA H 16 4.653 4.722 -0.069 1
1 190 . 11 1 1 A 38 38 GLN C C 16 176.655 175.567 1.088 1
1 191 . 11 1 1 A 38 38 GLN CA C 16 53.230 55.786 -2.556 1
1 192 . 11 1 1 A 38 38 GLN CB C 16 31.390 29.348 2.042 1
1 194 . 11 1 1 A 38 38 GLN N N 16 121.123 125.278 -4.155 1
1 196 . 11 1 1 A 39 39 THR H H 17 8.733 8.583 0.150 1
1 197 . 11 1 1 A 39 39 THR HA H 17 4.936 4.636 0.300 1
1 202 . 11 1 1 A 39 39 THR C C 17 176.173 173.704 2.469 1
1 203 . 11 1 1 A 39 39 THR CA C 17 62.170 61.246 0.924 1
1 204 . 11 1 1 A 39 39 THR CB C 17 69.300 68.689 0.611 1
1 206 . 11 1 1 A 39 39 THR N N 17 120.324 116.753 3.571 1
1 207 . 11 1 1 A 40 40 ILE H H 18 9.424 8.853 0.571 1
1 208 . 11 1 1 A 40 40 ILE HA H 18 4.592 4.714 -0.122 1
1 218 . 11 1 1 A 40 40 ILE C C 18 176.184 175.164 1.020 1
1 219 . 11 1 1 A 40 40 ILE CA C 18 58.200 60.660 -2.460 1
1 220 . 11 1 1 A 40 40 ILE CB C 18 41.130 38.099 3.031 1
1 224 . 11 1 1 A 40 40 ILE N N 18 126.321 128.555 -2.234 1
1 225 . 11 1 1 A 41 41 SER H H 19 8.518 8.737 -0.219 1
1 226 . 11 1 1 A 41 41 SER HA H 19 4.939 4.548 0.391 1
1 229 . 11 1 1 A 41 41 SER C C 19 175.210 174.375 0.835 1
1 230 . 11 1 1 A 41 41 SER CA C 19 57.160 58.852 -1.692 1
1 231 . 11 1 1 A 41 41 SER CB C 19 63.660 63.415 0.245 1
1 232 . 11 1 1 A 41 41 SER N N 19 120.959 123.455 -2.496 1
1 233 . 11 1 1 A 42 42 CYS H H 20 8.444 8.580 -0.136 1
1 234 . 11 1 1 A 42 42 CYS HA H 20 3.546 5.038 -1.492 1
1 237 . 11 1 1 A 42 42 CYS CA C 20 55.410 56.405 -0.995 1
1 238 . 11 1 1 A 42 42 CYS CB C 20 28.570 31.308 -2.738 1
1 239 . 11 1 1 A 42 42 CYS N N 20 120.248 121.492 -1.244 1
1 240 . 11 1 1 A 43 43 PHE HA H 21 4.580 4.829 -0.249 1
1 248 . 11 1 1 A 43 43 PHE C C 21 177.980 175.763 2.217 1
1 249 . 11 1 1 A 43 43 PHE CA C 21 56.490 56.274 0.216 1
1 250 . 11 1 1 A 43 43 PHE CB C 21 42.360 42.858 -0.498 1
1 254 . 11 1 1 A 44 44 LEU H H 22 9.159 8.907 0.252 1
1 255 . 11 1 1 A 44 44 LEU HA H 22 3.779 4.174 -0.395 1
1 265 . 11 1 1 A 44 44 LEU C C 22 178.177 178.196 -0.019 1
1 266 . 11 1 1 A 44 44 LEU CA C 22 56.980 56.221 0.759 1
1 267 . 11 1 1 A 44 44 LEU CB C 22 42.090 41.203 0.887 1
1 271 . 11 1 1 A 44 44 LEU N N 22 120.130 125.371 -5.241 1
1 272 . 11 1 1 A 45 45 ASN H H 23 8.058 7.862 0.196 1
1 273 . 11 1 1 A 45 45 ASN HA H 23 4.650 4.280 0.370 1
1 276 . 11 1 1 A 45 45 ASN C C 23 178.364 176.045 2.319 1
1 277 . 11 1 1 A 45 45 ASN CA C 23 52.880 56.209 -3.329 1
1 278 . 11 1 1 A 45 45 ASN CB C 23 37.320 37.427 -0.107 1
1 279 . 11 1 1 A 45 45 ASN N N 23 112.017 115.713 -3.696 1
1 280 . 11 1 1 A 46 46 TRP H H 24 7.857 7.615 0.242 1
1 281 . 11 1 1 A 46 46 TRP HA H 24 4.712 4.907 -0.195 1
1 290 . 11 1 1 A 46 46 TRP C C 24 178.802 176.347 2.455 1
1 291 . 11 1 1 A 46 46 TRP CA C 24 57.240 57.328 -0.088 1
1 292 . 11 1 1 A 46 46 TRP CB C 24 29.250 31.353 -2.103 1
1 298 . 11 1 1 A 46 46 TRP N N 24 121.301 118.806 2.495 1
1 300 . 11 1 1 A 47 47 THR H H 25 7.473 9.005 -1.532 1
1 301 . 11 1 1 A 47 47 THR HA H 25 5.097 4.777 0.320 1
1 306 . 11 1 1 A 47 47 THR C C 25 178.375 176.248 2.127 1
1 307 . 11 1 1 A 47 47 THR CA C 25 59.940 60.420 -0.480 1
1 308 . 11 1 1 A 47 47 THR CB C 25 71.080 72.019 -0.939 1
1 310 . 11 1 1 A 47 47 THR N N 25 109.055 113.938 -4.883 1
1 311 . 11 1 1 A 48 48 VAL H H 26 8.349 8.239 0.110 1
1 312 . 11 1 1 A 48 48 VAL HA H 26 3.433 3.478 -0.045 1
1 320 . 11 1 1 A 48 48 VAL C C 26 180.548 178.126 2.422 1
1 321 . 11 1 1 A 48 48 VAL CA C 26 66.460 66.546 -0.086 1
1 322 . 11 1 1 A 48 48 VAL CB C 26 31.540 31.429 0.111 1
1 325 . 11 1 1 A 48 48 VAL N N 26 123.048 122.047 1.001 1
1 326 . 11 1 1 A 49 49 GLY H H 27 9.099 8.397 0.702 1
1 327 . 11 1 1 A 49 49 GLY HA2 H 27 3.895 3.652 0.243 1
1 328 . 11 1 1 A 49 49 GLY HA3 H 27 3.512 3.660 -0.148 1
1 329 . 11 1 1 A 49 49 GLY C C 27 177.909 175.573 2.336 1
1 330 . 11 1 1 A 49 49 GLY CA C 27 47.100 47.186 -0.086 1
1 331 . 11 1 1 A 49 49 GLY N N 27 107.086 107.454 -0.368 1
1 332 . 11 1 1 A 50 50 LYS H H 28 7.937 7.453 0.484 1
1 333 . 11 1 1 A 50 50 LYS HA H 28 3.907 3.920 -0.013 1
1 342 . 11 1 1 A 50 50 LYS C C 28 180.866 179.216 1.650 1
1 343 . 11 1 1 A 50 50 LYS CA C 28 59.000 59.320 -0.320 1
1 344 . 11 1 1 A 50 50 LYS CB C 28 31.730 32.214 -0.484 1
1 348 . 11 1 1 A 50 50 LYS N N 28 125.227 122.115 3.112 1
1 349 . 11 1 1 A 51 51 LEU H H 29 8.364 7.889 0.475 1
1 350 . 11 1 1 A 51 51 LEU HA H 29 4.357 4.019 0.338 1
1 360 . 11 1 1 A 51 51 LEU C C 29 180.056 178.365 1.691 1
1 361 . 11 1 1 A 51 51 LEU CA C 29 58.360 57.918 0.442 1
1 362 . 11 1 1 A 51 51 LEU CB C 29 41.510 41.566 -0.056 1
1 366 . 11 1 1 A 51 51 LEU N N 29 122.366 121.208 1.158 1
1 367 . 11 1 1 A 52 52 LYS H H 30 8.711 8.003 0.708 1
1 368 . 11 1 1 A 52 52 LYS HA H 30 4.542 4.069 0.473 1
1 377 . 11 1 1 A 52 52 LYS C C 30 182.257 179.567 2.690 1
1 378 . 11 1 1 A 52 52 LYS CA C 30 59.310 58.985 0.325 1
1 379 . 11 1 1 A 52 52 LYS CB C 30 33.380 31.805 1.575 1
1 383 . 11 1 1 A 52 52 LYS N N 30 119.050 119.259 -0.209 1
1 384 . 11 1 1 A 53 53 THR H H 31 8.130 7.832 0.298 1
1 385 . 11 1 1 A 53 53 THR HA H 31 3.655 3.890 -0.235 1
1 390 . 11 1 1 A 53 53 THR C C 31 179.092 175.925 3.167 1
1 391 . 11 1 1 A 53 53 THR CA C 31 66.890 66.811 0.079 1
1 392 . 11 1 1 A 53 53 THR CB C 31 68.370 68.257 0.113 1
1 394 . 11 1 1 A 53 53 THR N N 31 118.206 116.604 1.602 1
1 395 . 11 1 1 A 54 54 HIS H H 32 8.310 7.646 0.664 1
1 396 . 11 1 1 A 54 54 HIS HA H 32 4.566 4.169 0.397 1
1 400 . 11 1 1 A 54 54 HIS C C 32 180.735 177.239 3.496 1
1 401 . 11 1 1 A 54 54 HIS CA C 32 60.010 60.028 -0.018 1
1 402 . 11 1 1 A 54 54 HIS CB C 32 31.620 29.169 2.451 1
1 404 . 11 1 1 A 54 54 HIS N N 32 124.425 122.457 1.968 1
1 405 . 11 1 1 A 55 55 LEU H H 33 9.036 8.310 0.726 1
1 406 . 11 1 1 A 55 55 LEU HA H 33 3.958 3.813 0.145 1
1 416 . 11 1 1 A 55 55 LEU C C 33 180.877 179.139 1.738 1
1 417 . 11 1 1 A 55 55 LEU CA C 33 58.180 57.785 0.395 1
1 418 . 11 1 1 A 55 55 LEU CB C 33 40.710 41.762 -1.052 1
1 422 . 11 1 1 A 55 55 LEU N N 33 119.746 120.646 -0.900 1
1 423 . 11 1 1 A 56 56 SER H H 34 8.266 7.968 0.298 1
1 424 . 11 1 1 A 56 56 SER HA H 34 4.159 4.124 0.035 1
1 427 . 11 1 1 A 56 56 SER C C 34 176.015 175.895 0.120 1
1 428 . 11 1 1 A 56 56 SER CA C 34 61.590 61.053 0.537 1
1 429 . 11 1 1 A 56 56 SER CB C 34 63.600 63.329 0.271 1
1 430 . 11 1 1 A 56 56 SER N N 34 114.534 113.769 0.765 1
1 431 . 11 1 1 A 57 57 ASN H H 35 7.273 7.568 -0.295 1
1 432 . 11 1 1 A 57 57 ASN HA H 35 4.799 4.699 0.100 1
1 437 . 11 1 1 A 57 57 ASN C C 35 179.004 177.202 1.802 1
1 438 . 11 1 1 A 57 57 ASN CA C 35 54.520 55.419 -0.899 1
1 439 . 11 1 1 A 57 57 ASN CB C 35 40.890 39.353 1.537 1
1 440 . 11 1 1 A 57 57 ASN N N 35 115.349 118.793 -3.444 1
1 442 . 11 1 1 A 58 58 VAL H H 36 7.810 7.066 0.744 1
1 443 . 11 1 1 A 58 58 VAL HA H 36 4.309 4.099 0.210 1
1 451 . 11 1 1 A 58 58 VAL C C 36 178.446 175.637 2.809 1
1 452 . 11 1 1 A 58 58 VAL CA C 36 62.350 63.687 -1.337 1
1 453 . 11 1 1 A 58 58 VAL CB C 36 32.980 31.974 1.006 1
1 456 . 11 1 1 A 58 58 VAL N N 36 110.874 111.454 -0.580 1
1 457 . 11 1 1 A 59 59 TYR H H 37 8.896 7.731 1.165 1
1 458 . 11 1 1 A 59 59 TYR HA H 37 4.482 4.683 -0.201 1
1 465 . 11 1 1 A 59 59 TYR CA C 37 57.740 56.861 0.879 1
1 466 . 11 1 1 A 59 59 TYR CB C 37 40.440 39.710 0.730 1
1 469 . 11 1 1 A 59 59 TYR N N 37 127.773 124.338 3.435 1
1 470 . 11 1 1 A 60 60 PRO HA H 38 3.956 4.292 -0.336 1
1 477 . 11 1 1 A 60 60 PRO C C 38 178.511 177.849 0.662 1
1 478 . 11 1 1 A 60 60 PRO CA C 38 65.560 65.051 0.509 1
1 479 . 11 1 1 A 60 60 PRO CB C 38 31.860 31.956 -0.096 1
1 482 . 11 1 1 A 61 61 SER H H 39 6.571 7.888 -1.317 1
1 483 . 11 1 1 A 61 61 SER HA H 39 4.238 4.409 -0.171 1
1 486 . 11 1 1 A 61 61 SER C C 39 175.774 174.047 1.727 1
1 487 . 11 1 1 A 61 61 SER CA C 39 58.290 60.591 -2.301 1
1 488 . 11 1 1 A 61 61 SER CB C 39 63.420 63.699 -0.279 1
1 489 . 11 1 1 A 61 61 SER N N 39 108.382 111.702 -3.320 1
1 490 . 11 1 1 A 62 62 LYS H H 40 8.384 7.712 0.672 1
1 491 . 11 1 1 A 62 62 LYS HA H 40 3.922 3.975 -0.053 1
1 500 . 11 1 1 A 62 62 LYS CA C 40 56.710 56.612 0.098 1
1 501 . 11 1 1 A 62 62 LYS CB C 40 30.640 30.551 0.089 1
1 505 . 11 1 1 A 62 62 LYS N N 40 118.443 119.046 -0.603 1
1 506 . 11 1 1 A 63 63 PRO HA H 41 4.284 4.361 -0.077 1
1 513 . 11 1 1 A 63 63 PRO C C 41 179.464 176.681 2.783 1
1 514 . 11 1 1 A 63 63 PRO CA C 41 62.620 62.928 -0.308 1
1 515 . 11 1 1 A 63 63 PRO CB C 41 31.640 31.910 -0.270 1
1 518 . 11 1 1 A 64 64 LEU H H 42 8.689 8.343 0.346 1
1 519 . 11 1 1 A 64 64 LEU HA H 42 4.212 4.204 0.008 1
1 529 . 11 1 1 A 64 64 LEU C C 42 182.476 176.881 5.595 1
1 530 . 11 1 1 A 64 64 LEU CA C 42 54.750 54.181 0.569 1
1 531 . 11 1 1 A 64 64 LEU CB C 42 41.360 40.411 0.949 1
1 535 . 11 1 1 A 64 64 LEU N N 42 122.677 122.936 -0.259 1
1 536 . 11 1 1 A 65 65 THR H H 43 8.858 8.356 0.502 1
1 537 . 11 1 1 A 65 65 THR HA H 43 3.779 3.930 -0.151 1
1 542 . 11 1 1 A 65 65 THR C C 43 180.078 175.997 4.081 1
1 543 . 11 1 1 A 65 65 THR CA C 43 66.310 65.758 0.552 1
1 544 . 11 1 1 A 65 65 THR CB C 43 68.100 68.524 -0.424 1
1 546 . 11 1 1 A 65 65 THR N N 43 116.000 119.945 -3.945 1
1 547 . 11 1 1 A 66 66 LYS H H 44 7.921 8.344 -0.423 1
1 548 . 11 1 1 A 66 66 LYS HA H 44 4.125 4.073 0.052 1
1 557 . 11 1 1 A 66 66 LYS C C 44 177.953 178.380 -0.427 1
1 558 . 11 1 1 A 66 66 LYS CA C 44 57.730 59.163 -1.433 1
1 559 . 11 1 1 A 66 66 LYS CB C 44 31.890 32.115 -0.225 1
1 563 . 11 1 1 A 66 66 LYS N N 44 117.614 120.414 -2.800 1
1 564 . 11 1 1 A 67 67 ASP H H 45 7.394 7.497 -0.103 1
1 565 . 11 1 1 A 67 67 ASP HA H 45 4.746 4.685 0.061 1
1 568 . 11 1 1 A 67 67 ASP C C 45 177.876 177.180 0.696 1
1 569 . 11 1 1 A 67 67 ASP CA C 45 54.350 55.676 -1.326 1
1 570 . 11 1 1 A 67 67 ASP CB C 45 42.090 41.729 0.361 1
1 571 . 11 1 1 A 67 67 ASP N N 45 118.443 117.398 1.045 1
1 572 . 11 1 1 A 68 68 GLN H H 46 7.143 7.920 -0.777 1
1 573 . 11 1 1 A 68 68 GLN HA H 46 4.054 4.775 -0.721 1
1 578 . 11 1 1 A 68 68 GLN C C 46 177.515 176.060 1.455 1
1 579 . 11 1 1 A 68 68 GLN CA C 46 56.750 56.908 -0.158 1
1 580 . 11 1 1 A 68 68 GLN CB C 46 31.150 29.418 1.732 1
1 582 . 11 1 1 A 68 68 GLN N N 46 120.205 117.135 3.070 1
1 583 . 11 1 1 A 69 69 ARG H H 47 8.269 8.636 -0.367 1
1 584 . 11 1 1 A 69 69 ARG HA H 47 4.334 5.054 -0.720 1
1 591 . 11 1 1 A 69 69 ARG C C 47 175.708 174.569 1.139 1
1 592 . 11 1 1 A 69 69 ARG CA C 47 55.010 54.161 0.849 1
1 593 . 11 1 1 A 69 69 ARG CB C 47 31.390 34.770 -3.380 1
1 596 . 11 1 1 A 69 69 ARG N N 47 124.781 122.988 1.793 1
1 597 . 11 1 1 A 70 70 LEU H H 48 8.254 8.621 -0.367 1
1 598 . 11 1 1 A 70 70 LEU HA H 48 5.444 5.259 0.185 1
1 608 . 11 1 1 A 70 70 LEU C C 48 177.175 176.280 0.895 1
1 609 . 11 1 1 A 70 70 LEU CA C 48 52.810 53.506 -0.696 1
1 610 . 11 1 1 A 70 70 LEU CB C 48 45.100 44.867 0.233 1
1 614 . 11 1 1 A 70 70 LEU N N 48 122.071 121.286 0.785 1
1 615 . 11 1 1 A 71 71 VAL H H 49 9.251 8.985 0.266 1
1 616 . 11 1 1 A 71 71 VAL HA H 49 4.889 4.991 -0.102 1
1 624 . 11 1 1 A 71 71 VAL C C 49 177.208 173.722 3.486 1
1 625 . 11 1 1 A 71 71 VAL CA C 49 60.570 61.194 -0.624 1
1 626 . 11 1 1 A 71 71 VAL CB C 49 34.580 34.301 0.279 1
1 629 . 11 1 1 A 71 71 VAL N N 49 122.797 122.790 0.007 1
1 630 . 11 1 1 A 72 72 TYR H H 50 8.684 9.079 -0.395 1
1 631 . 11 1 1 A 72 72 TYR HA H 50 5.155 4.812 0.343 1
1 638 . 11 1 1 A 72 72 TYR CA C 50 56.060 57.322 -1.262 1
1 639 . 11 1 1 A 72 72 TYR CB C 50 43.140 40.610 2.530 1
1 642 . 11 1 1 A 72 72 TYR N N 50 126.349 129.164 -2.815 1
1 643 . 11 1 1 A 73 73 SER HA H 51 3.673 4.017 -0.344 1
1 646 . 11 1 1 A 73 73 SER C C 51 177.153 173.707 3.446 1
1 647 . 11 1 1 A 73 73 SER CA C 51 58.000 59.170 -1.170 1
1 648 . 11 1 1 A 73 73 SER CB C 51 62.190 62.427 -0.237 1
1 649 . 11 1 1 A 74 74 GLY H H 52 8.209 8.447 -0.238 1
1 650 . 11 1 1 A 74 74 GLY HA2 H 52 4.030 4.043 -0.013 1
1 651 . 11 1 1 A 74 74 GLY HA3 H 52 3.346 4.066 -0.720 1
1 652 . 11 1 1 A 74 74 GLY C C 52 175.259 174.511 0.748 1
1 653 . 11 1 1 A 74 74 GLY CA C 52 44.990 45.272 -0.282 1
1 654 . 11 1 1 A 74 74 GLY N N 52 103.501 106.945 -3.444 1
1 655 . 11 1 1 A 75 75 ARG H H 53 7.816 7.620 0.196 1
1 656 . 11 1 1 A 75 75 ARG HA H 53 4.555 4.465 0.090 1
1 663 . 11 1 1 A 75 75 ARG C C 53 176.321 175.263 1.058 1
1 664 . 11 1 1 A 75 75 ARG CA C 53 54.590 55.752 -1.162 1
1 665 . 11 1 1 A 75 75 ARG CB C 53 32.620 31.533 1.087 1
1 668 . 11 1 1 A 75 75 ARG N N 53 121.834 119.827 2.007 1
1 669 . 11 1 1 A 76 76 LEU H H 54 8.470 8.369 0.101 1
1 670 . 11 1 1 A 76 76 LEU HA H 54 4.500 4.519 -0.019 1
1 680 . 11 1 1 A 76 76 LEU C C 54 179.639 174.983 4.656 1
1 681 . 11 1 1 A 76 76 LEU CA C 54 55.260 55.400 -0.140 1
1 682 . 11 1 1 A 76 76 LEU CB C 54 42.210 43.011 -0.801 1
1 686 . 11 1 1 A 76 76 LEU N N 54 127.239 125.035 2.204 1
1 687 . 11 1 1 A 77 77 LEU H H 55 8.863 9.116 -0.253 1
1 688 . 11 1 1 A 77 77 LEU HA H 55 4.605 4.825 -0.220 1
1 698 . 11 1 1 A 77 77 LEU CA C 55 52.230 51.317 0.913 1
1 699 . 11 1 1 A 77 77 LEU CB C 55 43.090 42.489 0.601 1
1 703 . 11 1 1 A 77 77 LEU N N 55 127.741 128.341 -0.600 1
1 704 . 11 1 1 A 78 78 PRO HA H 56 4.708 4.758 -0.050 1
1 711 . 11 1 1 A 78 78 PRO C C 56 179.519 176.688 2.831 1
1 712 . 11 1 1 A 78 78 PRO CA C 56 61.780 61.938 -0.158 1
1 713 . 11 1 1 A 78 78 PRO CB C 56 32.600 32.762 -0.162 1
1 716 . 11 1 1 A 79 79 ASP H H 57 8.109 8.758 -0.649 1
1 717 . 11 1 1 A 79 79 ASP HA H 57 4.122 4.276 -0.154 1
1 720 . 11 1 1 A 79 79 ASP C C 57 179.782 177.463 2.319 1
1 721 . 11 1 1 A 79 79 ASP CA C 57 57.380 55.416 1.964 1
1 722 . 11 1 1 A 79 79 ASP CB C 57 41.200 39.913 1.287 1
1 723 . 11 1 1 A 79 79 ASP N N 57 116.504 121.496 -4.992 1
1 724 . 11 1 1 A 80 80 HIS H H 58 7.815 7.824 -0.009 1
1 725 . 11 1 1 A 80 80 HIS HA H 58 4.519 4.431 0.088 1
1 730 . 11 1 1 A 80 80 HIS C C 58 177.668 175.151 2.517 1
1 731 . 11 1 1 A 80 80 HIS CA C 58 57.110 58.156 -1.046 1
1 732 . 11 1 1 A 80 80 HIS CB C 58 30.770 29.276 1.494 1
1 735 . 11 1 1 A 80 80 HIS N N 58 112.239 115.414 -3.175 1
1 736 . 11 1 1 A 81 81 LEU H H 59 6.281 7.110 -0.829 1
1 737 . 11 1 1 A 81 81 LEU HA H 59 4.157 4.867 -0.710 1
1 747 . 11 1 1 A 81 81 LEU C C 59 178.501 176.420 2.081 1
1 748 . 11 1 1 A 81 81 LEU CA C 59 53.970 52.725 1.245 1
1 749 . 11 1 1 A 81 81 LEU CB C 59 43.360 44.853 -1.493 1
1 753 . 11 1 1 A 81 81 LEU N N 59 120.531 116.656 3.875 1
1 754 . 11 1 1 A 82 82 GLN H H 60 8.863 8.868 -0.005 1
1 755 . 11 1 1 A 82 82 GLN HA H 60 4.891 4.440 0.451 1
1 762 . 11 1 1 A 82 82 GLN C C 60 180.417 177.752 2.665 1
1 763 . 11 1 1 A 82 82 GLN CA C 60 54.880 55.602 -0.722 1
1 764 . 11 1 1 A 82 82 GLN CB C 60 31.480 29.575 1.905 1
1 766 . 11 1 1 A 82 82 GLN N N 60 118.014 119.560 -1.546 1
1 768 . 11 1 1 A 83 83 LEU H H 61 8.688 8.646 0.042 1
1 769 . 11 1 1 A 83 83 LEU HA H 61 3.705 3.836 -0.131 1
1 779 . 11 1 1 A 83 83 LEU C C 61 181.775 178.623 3.152 1
1 780 . 11 1 1 A 83 83 LEU CA C 61 58.510 57.935 0.575 1
1 781 . 11 1 1 A 83 83 LEU CB C 61 40.330 41.344 -1.014 1
1 785 . 11 1 1 A 83 83 LEU N N 61 121.910 124.302 -2.392 1
1 786 . 11 1 1 A 84 84 LYS H H 62 8.525 8.267 0.258 1
1 787 . 11 1 1 A 84 84 LYS HA H 62 3.972 4.024 -0.052 1
1 796 . 11 1 1 A 84 84 LYS C C 62 177.865 178.196 -0.331 1
1 797 . 11 1 1 A 84 84 LYS CA C 62 57.690 59.074 -1.384 1
1 798 . 11 1 1 A 84 84 LYS CB C 62 31.440 32.026 -0.586 1
1 802 . 11 1 1 A 84 84 LYS N N 62 115.896 117.468 -1.572 1
1 803 . 11 1 1 A 85 85 ASP H H 63 7.598 7.827 -0.229 1
1 804 . 11 1 1 A 85 85 ASP HA H 63 4.710 4.398 0.312 1
1 807 . 11 1 1 A 85 85 ASP C C 63 177.307 177.392 -0.085 1
1 808 . 11 1 1 A 85 85 ASP CA C 63 55.460 56.877 -1.417 1
1 809 . 11 1 1 A 85 85 ASP CB C 63 42.000 41.541 0.459 1
1 810 . 11 1 1 A 85 85 ASP N N 63 118.917 119.573 -0.656 1
1 811 . 11 1 1 A 86 86 ILE H H 64 7.417 7.208 0.209 1
1 812 . 11 1 1 A 86 86 ILE HA H 64 4.027 4.159 -0.132 1
1 822 . 11 1 1 A 86 86 ILE C C 64 177.055 176.940 0.115 1
1 823 . 11 1 1 A 86 86 ILE CA C 64 62.150 62.142 0.008 1
1 824 . 11 1 1 A 86 86 ILE CB C 64 42.670 39.294 3.376 1
1 828 . 11 1 1 A 86 86 ILE N N 64 117.599 116.566 1.033 1
1 829 . 11 1 1 A 87 87 LEU H H 65 7.399 7.456 -0.057 1
1 830 . 11 1 1 A 87 87 LEU HA H 65 3.695 3.940 -0.245 1
1 840 . 11 1 1 A 87 87 LEU C C 65 179.409 177.183 2.226 1
1 841 . 11 1 1 A 87 87 LEU CA C 65 55.040 54.041 0.999 1
1 842 . 11 1 1 A 87 87 LEU CB C 65 40.910 41.052 -0.142 1
1 846 . 11 1 1 A 87 87 LEU N N 65 116.948 119.404 -2.456 1
1 847 . 11 1 1 A 88 88 ARG H H 66 7.954 7.562 0.392 1
1 848 . 11 1 1 A 88 88 ARG HA H 66 4.227 4.112 0.115 1
1 855 . 11 1 1 A 88 88 ARG C C 66 179.333 178.754 0.579 1
1 856 . 11 1 1 A 88 88 ARG CA C 66 56.960 58.931 -1.971 1
1 857 . 11 1 1 A 88 88 ARG CB C 66 30.570 29.719 0.851 1
1 860 . 11 1 1 A 88 88 ARG N N 66 122.752 121.256 1.496 1
1 861 . 11 1 1 A 89 89 LYS H H 67 8.374 8.033 0.341 1
1 862 . 11 1 1 A 89 89 LYS HA H 67 3.948 4.025 -0.077 1
1 871 . 11 1 1 A 89 89 LYS C C 67 179.278 178.775 0.503 1
1 872 . 11 1 1 A 89 89 LYS CA C 67 58.560 59.624 -1.064 1
1 873 . 11 1 1 A 89 89 LYS CB C 67 32.620 32.227 0.393 1
1 877 . 11 1 1 A 89 89 LYS N N 67 124.661 118.836 5.825 1
1 878 . 11 1 1 A 90 90 GLN H H 68 8.616 7.841 0.775 1
1 879 . 11 1 1 A 90 90 GLN HA H 68 4.169 4.055 0.114 1
1 886 . 11 1 1 A 90 90 GLN C C 68 177.778 175.511 2.267 1
1 887 . 11 1 1 A 90 90 GLN CA C 68 56.670 58.422 -1.752 1
1 888 . 11 1 1 A 90 90 GLN CB C 68 28.230 28.647 -0.417 1
1 890 . 11 1 1 A 90 90 GLN N N 68 115.896 119.726 -3.830 1
1 892 . 11 1 1 A 91 91 ASP H H 69 7.319 8.349 -1.030 1
1 893 . 11 1 1 A 91 91 ASP HA H 69 4.523 4.909 -0.386 1
1 896 . 11 1 1 A 91 91 ASP C C 69 177.164 176.234 0.930 1
1 897 . 11 1 1 A 91 91 ASP CA C 69 54.440 56.047 -1.607 1
1 898 . 11 1 1 A 91 91 ASP CB C 69 41.200 40.593 0.607 1
1 899 . 11 1 1 A 91 91 ASP N N 69 121.181 119.173 2.008 1
1 900 . 11 1 1 A 92 92 GLU H H 70 8.320 8.016 0.304 1
1 901 . 11 1 1 A 92 92 GLU HA H 70 3.892 4.534 -0.642 1
1 906 . 11 1 1 A 92 92 GLU C C 70 177.657 175.442 2.215 1
1 907 . 11 1 1 A 92 92 GLU CA C 70 57.260 58.407 -1.147 1
1 908 . 11 1 1 A 92 92 GLU CB C 70 30.750 29.805 0.945 1
1 910 . 11 1 1 A 92 92 GLU N N 70 120.205 118.770 1.435 1
1 911 . 11 1 1 A 93 93 TYR H H 71 7.251 7.477 -0.226 1
1 912 . 11 1 1 A 93 93 TYR HA H 71 4.550 5.301 -0.751 1
1 919 . 11 1 1 A 93 93 TYR C C 71 175.861 175.071 0.790 1
1 920 . 11 1 1 A 93 93 TYR CA C 71 55.550 55.963 -0.413 1
1 921 . 11 1 1 A 93 93 TYR CB C 71 39.680 40.550 -0.870 1
1 924 . 11 1 1 A 93 93 TYR N N 71 115.349 116.072 -0.723 1
1 925 . 11 1 1 A 94 94 HIS H H 72 7.991 9.011 -1.020 1
1 926 . 11 1 1 A 94 94 HIS HA H 72 5.034 5.271 -0.237 1
1 930 . 11 1 1 A 94 94 HIS C C 72 176.157 174.554 1.603 1
1 931 . 11 1 1 A 94 94 HIS CA C 72 54.990 54.459 0.531 1
1 932 . 11 1 1 A 94 94 HIS CB C 72 33.910 32.580 1.330 1
1 934 . 11 1 1 A 94 94 HIS N N 72 120.146 119.291 0.855 1
1 935 . 11 1 1 A 95 95 MET H H 73 9.227 9.105 0.122 1
1 936 . 11 1 1 A 95 95 MET HA H 73 5.306 4.879 0.427 1
1 941 . 11 1 1 A 95 95 MET C C 73 176.891 175.735 1.156 1
1 942 . 11 1 1 A 95 95 MET CA C 73 54.500 54.642 -0.142 1
1 943 . 11 1 1 A 95 95 MET CB C 73 33.690 33.323 0.367 1
1 945 . 11 1 1 A 95 95 MET N N 73 124.691 124.272 0.419 1
1 946 . 11 1 1 A 96 96 VAL H H 74 9.070 9.182 -0.112 1
1 947 . 11 1 1 A 96 96 VAL HA H 74 4.719 4.652 0.067 1
1 955 . 11 1 1 A 96 96 VAL C C 74 175.653 174.827 0.826 1
1 956 . 11 1 1 A 96 96 VAL CA C 74 60.790 60.947 -0.157 1
1 957 . 11 1 1 A 96 96 VAL CB C 74 35.290 34.965 0.325 1
1 960 . 11 1 1 A 96 96 VAL N N 74 125.298 124.442 0.856 1
1 961 . 11 1 1 A 97 97 HIS H H 75 9.197 8.843 0.354 1
1 962 . 11 1 1 A 97 97 HIS HA H 75 5.213 5.136 0.077 1
1 966 . 11 1 1 A 97 97 HIS C C 75 176.245 175.072 1.173 1
1 967 . 11 1 1 A 97 97 HIS CA C 75 55.800 55.371 0.429 1
1 968 . 11 1 1 A 97 97 HIS CB C 75 32.170 30.533 1.637 1
1 970 . 11 1 1 A 97 97 HIS N N 75 125.299 126.262 -0.963 1
1 971 . 11 1 1 A 98 98 LEU H H 76 8.423 8.742 -0.319 1
1 972 . 11 1 1 A 98 98 LEU HA H 76 5.059 4.353 0.706 1
1 982 . 11 1 1 A 98 98 LEU C C 76 177.592 175.127 2.465 1
1 983 . 11 1 1 A 98 98 LEU CA C 76 54.150 56.126 -1.976 1
1 984 . 11 1 1 A 98 98 LEU CB C 76 43.540 42.291 1.249 1
1 988 . 11 1 1 A 98 98 LEU N N 76 126.291 127.531 -1.240 1
1 13 . 12 1 1 A 24 24 VAL H H 2 8.008 8.105 -0.097 1
1 14 . 12 1 1 A 24 24 VAL HA H 2 4.297 4.313 -0.016 1
1 22 . 12 1 1 A 24 24 VAL C C 2 175.571 175.355 0.216 1
1 23 . 12 1 1 A 24 24 VAL CA C 2 60.030 61.388 -1.358 1
1 24 . 12 1 1 A 24 24 VAL CB C 2 34.710 33.393 1.317 1
1 27 . 12 1 1 A 24 24 VAL N N 2 118.399 119.781 -1.382 1
1 28 . 12 1 1 A 25 25 THR H H 3 8.520 8.826 -0.306 1
1 29 . 12 1 1 A 25 25 THR HA H 3 4.738 4.650 0.088 1
1 34 . 12 1 1 A 25 25 THR C C 3 175.275 173.008 2.267 1
1 35 . 12 1 1 A 25 25 THR CA C 3 62.350 62.505 -0.155 1
1 36 . 12 1 1 A 25 25 THR CB C 3 69.930 69.285 0.645 1
1 38 . 12 1 1 A 25 25 THR N N 3 121.522 122.681 -1.159 1
1 39 . 12 1 1 A 26 26 LEU H H 4 8.929 9.192 -0.263 1
1 40 . 12 1 1 A 26 26 LEU HA H 4 5.102 5.154 -0.052 1
1 50 . 12 1 1 A 26 26 LEU C C 4 176.809 174.955 1.854 1
1 51 . 12 1 1 A 26 26 LEU CA C 4 52.850 53.733 -0.883 1
1 52 . 12 1 1 A 26 26 LEU CB C 4 45.140 44.543 0.597 1
1 56 . 12 1 1 A 26 26 LEU N N 4 127.076 129.546 -2.470 1
1 57 . 12 1 1 A 27 27 ILE H H 5 8.990 8.910 0.080 1
1 58 . 12 1 1 A 27 27 ILE HA H 5 4.682 4.510 0.172 1
1 68 . 12 1 1 A 27 27 ILE C C 5 176.962 175.447 1.515 1
1 69 . 12 1 1 A 27 27 ILE CA C 5 59.810 60.945 -1.135 1
1 70 . 12 1 1 A 27 27 ILE CB C 5 38.590 37.006 1.584 1
1 74 . 12 1 1 A 27 27 ILE N N 5 122.974 128.228 -5.254 1
1 75 . 12 1 1 A 28 28 ILE H H 6 9.288 8.886 0.402 1
1 76 . 12 1 1 A 28 28 ILE HA H 6 5.025 4.423 0.602 1
1 86 . 12 1 1 A 28 28 ILE C C 6 178.889 175.393 3.496 1
1 87 . 12 1 1 A 28 28 ILE CA C 6 57.620 61.001 -3.381 1
1 88 . 12 1 1 A 28 28 ILE CB C 6 36.680 37.290 -0.610 1
1 92 . 12 1 1 A 28 28 ILE N N 6 125.520 128.965 -3.445 1
1 93 . 12 1 1 A 29 29 LYS H H 7 8.832 8.950 -0.118 1
1 94 . 12 1 1 A 29 29 LYS HA H 7 4.597 5.034 -0.437 1
1 103 . 12 1 1 A 29 29 LYS C C 7 176.414 175.591 0.823 1
1 104 . 12 1 1 A 29 29 LYS CA C 7 54.240 54.792 -0.552 1
1 105 . 12 1 1 A 29 29 LYS CB C 7 34.050 34.630 -0.580 1
1 109 . 12 1 1 A 29 29 LYS N N 7 130.704 127.816 2.888 1
1 110 . 12 1 1 A 30 30 ALA H H 8 9.021 8.504 0.517 1
1 111 . 12 1 1 A 30 30 ALA HA H 8 5.221 4.862 0.359 1
1 115 . 12 1 1 A 30 30 ALA CA C 8 49.220 49.812 -0.592 1
1 116 . 12 1 1 A 30 30 ALA CB C 8 20.620 22.101 -1.481 1
1 117 . 12 1 1 A 30 30 ALA N N 8 126.869 121.644 5.225 1
1 118 . 12 1 1 A 31 31 PRO HA H 9 4.445 4.295 0.150 1
1 125 . 12 1 1 A 31 31 PRO CA C 9 63.990 64.894 -0.904 1
1 126 . 12 1 1 A 31 31 PRO CB C 9 31.860 31.867 -0.007 1
1 129 . 12 1 1 A 32 32 ASN HA H 10 4.531 4.890 -0.359 1
1 134 . 12 1 1 A 32 32 ASN C C 10 176.666 174.970 1.696 1
1 135 . 12 1 1 A 32 32 ASN CA C 10 53.210 52.847 0.363 1
1 136 . 12 1 1 A 32 32 ASN CB C 10 38.150 39.038 -0.888 1
1 138 . 12 1 1 A 33 33 GLN H H 11 8.123 7.479 0.644 1
1 139 . 12 1 1 A 33 33 GLN N N 11 114.038 122.021 -7.983 1
1 140 . 12 1 1 A 34 34 LYS HA H 12 3.817 4.269 -0.452 1
1 149 . 12 1 1 A 34 34 LYS C C 12 178.002 176.173 1.829 1
1 150 . 12 1 1 A 34 34 LYS CA C 12 58.290 57.160 1.130 1
1 151 . 12 1 1 A 34 34 LYS CB C 12 32.570 32.969 -0.399 1
1 155 . 12 1 1 A 35 35 TYR H H 13 6.845 7.873 -1.028 1
1 156 . 12 1 1 A 35 35 TYR HA H 13 4.654 4.837 -0.183 1
1 163 . 12 1 1 A 35 35 TYR CA C 13 56.060 57.814 -1.754 1
1 164 . 12 1 1 A 35 35 TYR CB C 13 41.000 39.842 1.158 1
1 167 . 12 1 1 A 35 35 TYR N N 13 112.988 118.749 -5.761 1
1 168 . 12 1 1 A 36 36 SER HA H 14 4.376 4.452 -0.076 1
1 171 . 12 1 1 A 36 36 SER C C 14 177.170 173.401 3.769 1
1 172 . 12 1 1 A 36 36 SER CA C 14 58.160 58.759 -0.599 1
1 173 . 12 1 1 A 36 36 SER CB C 14 64.000 64.093 -0.093 1
1 174 . 12 1 1 A 37 37 ASP H H 15 8.910 8.656 0.254 1
1 175 . 12 1 1 A 37 37 ASP HA H 15 4.622 4.676 -0.054 1
1 178 . 12 1 1 A 37 37 ASP C C 15 178.221 175.248 2.973 1
1 179 . 12 1 1 A 37 37 ASP CA C 15 55.680 53.884 1.796 1
1 180 . 12 1 1 A 37 37 ASP CB C 15 39.640 39.665 -0.025 1
1 181 . 12 1 1 A 37 37 ASP N N 15 125.921 122.812 3.109 1
1 182 . 12 1 1 A 38 38 GLN H H 16 8.224 8.754 -0.530 1
1 183 . 12 1 1 A 38 38 GLN HA H 16 4.653 4.657 -0.004 1
1 190 . 12 1 1 A 38 38 GLN C C 16 176.655 175.020 1.635 1
1 191 . 12 1 1 A 38 38 GLN CA C 16 53.230 55.573 -2.343 1
1 192 . 12 1 1 A 38 38 GLN CB C 16 31.390 29.015 2.375 1
1 194 . 12 1 1 A 38 38 GLN N N 16 121.123 125.465 -4.342 1
1 196 . 12 1 1 A 39 39 THR H H 17 8.733 8.516 0.217 1
1 197 . 12 1 1 A 39 39 THR HA H 17 4.936 4.744 0.192 1
1 202 . 12 1 1 A 39 39 THR C C 17 176.173 173.863 2.310 1
1 203 . 12 1 1 A 39 39 THR CA C 17 62.170 61.233 0.937 1
1 204 . 12 1 1 A 39 39 THR CB C 17 69.300 68.529 0.771 1
1 206 . 12 1 1 A 39 39 THR N N 17 120.324 118.366 1.958 1
1 207 . 12 1 1 A 40 40 ILE H H 18 9.424 8.551 0.873 1
1 208 . 12 1 1 A 40 40 ILE HA H 18 4.592 4.391 0.201 1
1 218 . 12 1 1 A 40 40 ILE C C 18 176.184 175.849 0.335 1
1 219 . 12 1 1 A 40 40 ILE CA C 18 58.200 61.032 -2.832 1
1 220 . 12 1 1 A 40 40 ILE CB C 18 41.130 38.668 2.462 1
1 224 . 12 1 1 A 40 40 ILE N N 18 126.321 128.188 -1.867 1
1 225 . 12 1 1 A 41 41 SER H H 19 8.518 8.667 -0.149 1
1 226 . 12 1 1 A 41 41 SER HA H 19 4.939 4.600 0.339 1
1 229 . 12 1 1 A 41 41 SER C C 19 175.210 174.502 0.708 1
1 230 . 12 1 1 A 41 41 SER CA C 19 57.160 58.354 -1.194 1
1 231 . 12 1 1 A 41 41 SER CB C 19 63.660 63.485 0.175 1
1 232 . 12 1 1 A 41 41 SER N N 19 120.959 122.359 -1.400 1
1 233 . 12 1 1 A 42 42 CYS H H 20 8.444 8.818 -0.374 1
1 234 . 12 1 1 A 42 42 CYS HA H 20 3.546 5.499 -1.953 1
1 237 . 12 1 1 A 42 42 CYS CA C 20 55.410 57.956 -2.546 1
1 238 . 12 1 1 A 42 42 CYS CB C 20 28.570 33.629 -5.059 1
1 239 . 12 1 1 A 42 42 CYS N N 20 120.248 122.254 -2.006 1
1 240 . 12 1 1 A 43 43 PHE HA H 21 4.580 4.771 -0.191 1
1 248 . 12 1 1 A 43 43 PHE C C 21 177.980 175.736 2.244 1
1 249 . 12 1 1 A 43 43 PHE CA C 21 56.490 55.999 0.491 1
1 250 . 12 1 1 A 43 43 PHE CB C 21 42.360 42.310 0.050 1
1 254 . 12 1 1 A 44 44 LEU H H 22 9.159 8.851 0.308 1
1 255 . 12 1 1 A 44 44 LEU HA H 22 3.779 4.116 -0.337 1
1 265 . 12 1 1 A 44 44 LEU C C 22 178.177 178.503 -0.326 1
1 266 . 12 1 1 A 44 44 LEU CA C 22 56.980 57.002 -0.022 1
1 267 . 12 1 1 A 44 44 LEU CB C 22 42.090 41.407 0.683 1
1 271 . 12 1 1 A 44 44 LEU N N 22 120.130 125.306 -5.176 1
1 272 . 12 1 1 A 45 45 ASN H H 23 8.058 8.046 0.012 1
1 273 . 12 1 1 A 45 45 ASN HA H 23 4.650 4.270 0.380 1
1 276 . 12 1 1 A 45 45 ASN C C 23 178.364 176.431 1.933 1
1 277 . 12 1 1 A 45 45 ASN CA C 23 52.880 56.325 -3.445 1
1 278 . 12 1 1 A 45 45 ASN CB C 23 37.320 37.850 -0.530 1
1 279 . 12 1 1 A 45 45 ASN N N 23 112.017 116.109 -4.092 1
1 280 . 12 1 1 A 46 46 TRP H H 24 7.857 7.247 0.610 1
1 281 . 12 1 1 A 46 46 TRP HA H 24 4.712 4.805 -0.093 1
1 290 . 12 1 1 A 46 46 TRP C C 24 178.802 176.375 2.427 1
1 291 . 12 1 1 A 46 46 TRP CA C 24 57.240 57.464 -0.224 1
1 292 . 12 1 1 A 46 46 TRP CB C 24 29.250 31.003 -1.753 1
1 298 . 12 1 1 A 46 46 TRP N N 24 121.301 118.696 2.605 1
1 300 . 12 1 1 A 47 47 THR H H 25 7.473 9.008 -1.535 1
1 301 . 12 1 1 A 47 47 THR HA H 25 5.097 4.727 0.370 1
1 306 . 12 1 1 A 47 47 THR C C 25 178.375 176.409 1.966 1
1 307 . 12 1 1 A 47 47 THR CA C 25 59.940 60.497 -0.557 1
1 308 . 12 1 1 A 47 47 THR CB C 25 71.080 71.589 -0.509 1
1 310 . 12 1 1 A 47 47 THR N N 25 109.055 114.000 -4.945 1
1 311 . 12 1 1 A 48 48 VAL H H 26 8.349 8.467 -0.118 1
1 312 . 12 1 1 A 48 48 VAL HA H 26 3.433 3.581 -0.148 1
1 320 . 12 1 1 A 48 48 VAL C C 26 180.548 178.239 2.309 1
1 321 . 12 1 1 A 48 48 VAL CA C 26 66.460 66.345 0.115 1
1 322 . 12 1 1 A 48 48 VAL CB C 26 31.540 31.324 0.216 1
1 325 . 12 1 1 A 48 48 VAL N N 26 123.048 121.888 1.160 1
1 326 . 12 1 1 A 49 49 GLY H H 27 9.099 8.346 0.753 1
1 327 . 12 1 1 A 49 49 GLY HA2 H 27 3.895 3.750 0.145 1
1 328 . 12 1 1 A 49 49 GLY HA3 H 27 3.512 3.757 -0.245 1
1 329 . 12 1 1 A 49 49 GLY C C 27 177.909 175.542 2.367 1
1 330 . 12 1 1 A 49 49 GLY CA C 27 47.100 47.142 -0.042 1
1 331 . 12 1 1 A 49 49 GLY N N 27 107.086 107.792 -0.706 1
1 332 . 12 1 1 A 50 50 LYS H H 28 7.937 7.728 0.209 1
1 333 . 12 1 1 A 50 50 LYS HA H 28 3.907 3.928 -0.021 1
1 342 . 12 1 1 A 50 50 LYS C C 28 180.866 179.281 1.585 1
1 343 . 12 1 1 A 50 50 LYS CA C 28 59.000 59.322 -0.322 1
1 344 . 12 1 1 A 50 50 LYS CB C 28 31.730 32.106 -0.376 1
1 348 . 12 1 1 A 50 50 LYS N N 28 125.227 122.152 3.075 1
1 349 . 12 1 1 A 51 51 LEU H H 29 8.364 7.981 0.383 1
1 350 . 12 1 1 A 51 51 LEU HA H 29 4.357 4.091 0.266 1
1 360 . 12 1 1 A 51 51 LEU C C 29 180.056 178.354 1.702 1
1 361 . 12 1 1 A 51 51 LEU CA C 29 58.360 57.356 1.004 1
1 362 . 12 1 1 A 51 51 LEU CB C 29 41.510 41.567 -0.057 1
1 366 . 12 1 1 A 51 51 LEU N N 29 122.366 121.126 1.240 1
1 367 . 12 1 1 A 52 52 LYS H H 30 8.711 8.142 0.569 1
1 368 . 12 1 1 A 52 52 LYS HA H 30 4.542 4.052 0.490 1
1 377 . 12 1 1 A 52 52 LYS C C 30 182.257 179.268 2.989 1
1 378 . 12 1 1 A 52 52 LYS CA C 30 59.310 59.230 0.080 1
1 379 . 12 1 1 A 52 52 LYS CB C 30 33.380 31.975 1.405 1
1 383 . 12 1 1 A 52 52 LYS N N 30 119.050 119.971 -0.921 1
1 384 . 12 1 1 A 53 53 THR H H 31 8.130 7.845 0.285 1
1 385 . 12 1 1 A 53 53 THR HA H 31 3.655 3.988 -0.333 1
1 390 . 12 1 1 A 53 53 THR C C 31 179.092 176.094 2.998 1
1 391 . 12 1 1 A 53 53 THR CA C 31 66.890 66.774 0.116 1
1 392 . 12 1 1 A 53 53 THR CB C 31 68.370 68.394 -0.024 1
1 394 . 12 1 1 A 53 53 THR N N 31 118.206 117.146 1.060 1
1 395 . 12 1 1 A 54 54 HIS H H 32 8.310 7.847 0.463 1
1 396 . 12 1 1 A 54 54 HIS HA H 32 4.566 4.146 0.420 1
1 400 . 12 1 1 A 54 54 HIS C C 32 180.735 177.012 3.723 1
1 401 . 12 1 1 A 54 54 HIS CA C 32 60.010 60.169 -0.159 1
1 402 . 12 1 1 A 54 54 HIS CB C 32 31.620 29.466 2.154 1
1 404 . 12 1 1 A 54 54 HIS N N 32 124.425 122.033 2.392 1
1 405 . 12 1 1 A 55 55 LEU H H 33 9.036 8.276 0.760 1
1 406 . 12 1 1 A 55 55 LEU HA H 33 3.958 3.882 0.076 1
1 416 . 12 1 1 A 55 55 LEU C C 33 180.877 179.312 1.565 1
1 417 . 12 1 1 A 55 55 LEU CA C 33 58.180 57.836 0.344 1
1 418 . 12 1 1 A 55 55 LEU CB C 33 40.710 42.089 -1.379 1
1 422 . 12 1 1 A 55 55 LEU N N 33 119.746 120.717 -0.971 1
1 423 . 12 1 1 A 56 56 SER H H 34 8.266 8.152 0.114 1
1 424 . 12 1 1 A 56 56 SER HA H 34 4.159 4.120 0.039 1
1 427 . 12 1 1 A 56 56 SER C C 34 176.015 177.391 -1.376 1
1 428 . 12 1 1 A 56 56 SER CA C 34 61.590 61.383 0.207 1
1 429 . 12 1 1 A 56 56 SER CB C 34 63.600 62.482 1.118 1
1 430 . 12 1 1 A 56 56 SER N N 34 114.534 112.321 2.213 1
1 431 . 12 1 1 A 57 57 ASN H H 35 7.273 7.665 -0.392 1
1 432 . 12 1 1 A 57 57 ASN HA H 35 4.799 4.610 0.189 1
1 437 . 12 1 1 A 57 57 ASN C C 35 179.004 177.818 1.186 1
1 438 . 12 1 1 A 57 57 ASN CA C 35 54.520 55.870 -1.350 1
1 439 . 12 1 1 A 57 57 ASN CB C 35 40.890 38.732 2.158 1
1 440 . 12 1 1 A 57 57 ASN N N 35 115.349 120.644 -5.295 1
1 442 . 12 1 1 A 58 58 VAL H H 36 7.810 7.428 0.382 1
1 443 . 12 1 1 A 58 58 VAL HA H 36 4.309 3.953 0.356 1
1 451 . 12 1 1 A 58 58 VAL C C 36 178.446 176.007 2.439 1
1 452 . 12 1 1 A 58 58 VAL CA C 36 62.350 64.931 -2.581 1
1 453 . 12 1 1 A 58 58 VAL CB C 36 32.980 31.159 1.821 1
1 456 . 12 1 1 A 58 58 VAL N N 36 110.874 114.665 -3.791 1
1 457 . 12 1 1 A 59 59 TYR H H 37 8.896 7.649 1.247 1
1 458 . 12 1 1 A 59 59 TYR HA H 37 4.482 4.664 -0.182 1
1 465 . 12 1 1 A 59 59 TYR CA C 37 57.740 57.106 0.634 1
1 466 . 12 1 1 A 59 59 TYR CB C 37 40.440 39.710 0.730 1
1 469 . 12 1 1 A 59 59 TYR N N 37 127.773 124.774 2.999 1
1 470 . 12 1 1 A 60 60 PRO HA H 38 3.956 4.479 -0.523 1
1 477 . 12 1 1 A 60 60 PRO C C 38 178.511 177.794 0.717 1
1 478 . 12 1 1 A 60 60 PRO CA C 38 65.560 64.454 1.106 1
1 479 . 12 1 1 A 60 60 PRO CB C 38 31.860 31.809 0.051 1
1 482 . 12 1 1 A 61 61 SER H H 39 6.571 8.083 -1.512 1
1 483 . 12 1 1 A 61 61 SER HA H 39 4.238 4.474 -0.236 1
1 486 . 12 1 1 A 61 61 SER C C 39 175.774 174.096 1.678 1
1 487 . 12 1 1 A 61 61 SER CA C 39 58.290 60.680 -2.390 1
1 488 . 12 1 1 A 61 61 SER CB C 39 63.420 63.898 -0.478 1
1 489 . 12 1 1 A 61 61 SER N N 39 108.382 111.889 -3.507 1
1 490 . 12 1 1 A 62 62 LYS H H 40 8.384 7.790 0.594 1
1 491 . 12 1 1 A 62 62 LYS HA H 40 3.922 4.264 -0.342 1
1 500 . 12 1 1 A 62 62 LYS CA C 40 56.710 56.577 0.133 1
1 501 . 12 1 1 A 62 62 LYS CB C 40 30.640 31.049 -0.409 1
1 505 . 12 1 1 A 62 62 LYS N N 40 118.443 119.122 -0.679 1
1 506 . 12 1 1 A 63 63 PRO HA H 41 4.284 4.512 -0.228 1
1 513 . 12 1 1 A 63 63 PRO C C 41 179.464 176.257 3.207 1
1 514 . 12 1 1 A 63 63 PRO CA C 41 62.620 62.447 0.173 1
1 515 . 12 1 1 A 63 63 PRO CB C 41 31.640 31.955 -0.315 1
1 518 . 12 1 1 A 64 64 LEU H H 42 8.689 8.439 0.250 1
1 519 . 12 1 1 A 64 64 LEU HA H 42 4.212 4.226 -0.014 1
1 529 . 12 1 1 A 64 64 LEU C C 42 182.476 178.968 3.508 1
1 530 . 12 1 1 A 64 64 LEU CA C 42 54.750 54.311 0.439 1
1 531 . 12 1 1 A 64 64 LEU CB C 42 41.360 40.666 0.694 1
1 535 . 12 1 1 A 64 64 LEU N N 42 122.677 121.842 0.835 1
1 536 . 12 1 1 A 65 65 THR H H 43 8.858 8.661 0.197 1
1 537 . 12 1 1 A 65 65 THR HA H 43 3.779 3.869 -0.090 1
1 542 . 12 1 1 A 65 65 THR C C 43 180.078 175.614 4.464 1
1 543 . 12 1 1 A 65 65 THR CA C 43 66.310 65.768 0.542 1
1 544 . 12 1 1 A 65 65 THR CB C 43 68.100 68.098 0.002 1
1 546 . 12 1 1 A 65 65 THR N N 43 116.000 118.780 -2.780 1
1 547 . 12 1 1 A 66 66 LYS H H 44 7.921 8.659 -0.738 1
1 548 . 12 1 1 A 66 66 LYS HA H 44 4.125 4.055 0.070 1
1 557 . 12 1 1 A 66 66 LYS C C 44 177.953 177.342 0.611 1
1 558 . 12 1 1 A 66 66 LYS CA C 44 57.730 59.041 -1.311 1
1 559 . 12 1 1 A 66 66 LYS CB C 44 31.890 32.082 -0.192 1
1 563 . 12 1 1 A 66 66 LYS N N 44 117.614 120.642 -3.028 1
1 564 . 12 1 1 A 67 67 ASP H H 45 7.394 7.589 -0.195 1
1 565 . 12 1 1 A 67 67 ASP HA H 45 4.746 4.654 0.092 1
1 568 . 12 1 1 A 67 67 ASP C C 45 177.876 175.504 2.372 1
1 569 . 12 1 1 A 67 67 ASP CA C 45 54.350 54.629 -0.279 1
1 570 . 12 1 1 A 67 67 ASP CB C 45 42.090 41.342 0.748 1
1 571 . 12 1 1 A 67 67 ASP N N 45 118.443 117.565 0.878 1
1 572 . 12 1 1 A 68 68 GLN H H 46 7.143 7.568 -0.425 1
1 573 . 12 1 1 A 68 68 GLN HA H 46 4.054 4.617 -0.563 1
1 578 . 12 1 1 A 68 68 GLN C C 46 177.515 174.707 2.808 1
1 579 . 12 1 1 A 68 68 GLN CA C 46 56.750 54.665 2.085 1
1 580 . 12 1 1 A 68 68 GLN CB C 46 31.150 29.572 1.578 1
1 582 . 12 1 1 A 68 68 GLN N N 46 120.205 118.700 1.505 1
1 583 . 12 1 1 A 69 69 ARG H H 47 8.269 8.876 -0.607 1
1 584 . 12 1 1 A 69 69 ARG HA H 47 4.334 4.747 -0.413 1
1 591 . 12 1 1 A 69 69 ARG C C 47 175.708 175.655 0.053 1
1 592 . 12 1 1 A 69 69 ARG CA C 47 55.010 54.987 0.023 1
1 593 . 12 1 1 A 69 69 ARG CB C 47 31.390 31.818 -0.428 1
1 596 . 12 1 1 A 69 69 ARG N N 47 124.781 124.782 -0.001 1
1 597 . 12 1 1 A 70 70 LEU H H 48 8.254 8.422 -0.168 1
1 598 . 12 1 1 A 70 70 LEU HA H 48 5.444 5.179 0.265 1
1 608 . 12 1 1 A 70 70 LEU C C 48 177.175 175.997 1.178 1
1 609 . 12 1 1 A 70 70 LEU CA C 48 52.810 53.562 -0.752 1
1 610 . 12 1 1 A 70 70 LEU CB C 48 45.100 43.359 1.741 1
1 614 . 12 1 1 A 70 70 LEU N N 48 122.071 121.116 0.955 1
1 615 . 12 1 1 A 71 71 VAL H H 49 9.251 8.947 0.304 1
1 616 . 12 1 1 A 71 71 VAL HA H 49 4.889 5.004 -0.115 1
1 624 . 12 1 1 A 71 71 VAL C C 49 177.208 174.075 3.133 1
1 625 . 12 1 1 A 71 71 VAL CA C 49 60.570 61.031 -0.461 1
1 626 . 12 1 1 A 71 71 VAL CB C 49 34.580 34.686 -0.106 1
1 629 . 12 1 1 A 71 71 VAL N N 49 122.797 123.626 -0.829 1
1 630 . 12 1 1 A 72 72 TYR H H 50 8.684 9.008 -0.324 1
1 631 . 12 1 1 A 72 72 TYR HA H 50 5.155 4.925 0.230 1
1 638 . 12 1 1 A 72 72 TYR CA C 50 56.060 57.026 -0.966 1
1 639 . 12 1 1 A 72 72 TYR CB C 50 43.140 39.140 4.000 1
1 642 . 12 1 1 A 72 72 TYR N N 50 126.349 129.581 -3.232 1
1 643 . 12 1 1 A 73 73 SER HA H 51 3.673 4.230 -0.557 1
1 646 . 12 1 1 A 73 73 SER C C 51 177.153 174.078 3.075 1
1 647 . 12 1 1 A 73 73 SER CA C 51 58.000 59.519 -1.519 1
1 648 . 12 1 1 A 73 73 SER CB C 51 62.190 62.791 -0.601 1
1 649 . 12 1 1 A 74 74 GLY H H 52 8.209 8.515 -0.306 1
1 650 . 12 1 1 A 74 74 GLY HA2 H 52 4.030 4.095 -0.065 1
1 651 . 12 1 1 A 74 74 GLY HA3 H 52 3.346 4.095 -0.749 1
1 652 . 12 1 1 A 74 74 GLY C C 52 175.259 174.581 0.678 1
1 653 . 12 1 1 A 74 74 GLY CA C 52 44.990 45.484 -0.494 1
1 654 . 12 1 1 A 74 74 GLY N N 52 103.501 107.525 -4.024 1
1 655 . 12 1 1 A 75 75 ARG H H 53 7.816 7.710 0.106 1
1 656 . 12 1 1 A 75 75 ARG HA H 53 4.555 4.555 0.000 1
1 663 . 12 1 1 A 75 75 ARG C C 53 176.321 175.480 0.841 1
1 664 . 12 1 1 A 75 75 ARG CA C 53 54.590 55.551 -0.961 1
1 665 . 12 1 1 A 75 75 ARG CB C 53 32.620 31.806 0.814 1
1 668 . 12 1 1 A 75 75 ARG N N 53 121.834 119.673 2.161 1
1 669 . 12 1 1 A 76 76 LEU H H 54 8.470 8.394 0.076 1
1 670 . 12 1 1 A 76 76 LEU HA H 54 4.500 4.574 -0.074 1
1 680 . 12 1 1 A 76 76 LEU C C 54 179.639 175.037 4.602 1
1 681 . 12 1 1 A 76 76 LEU CA C 54 55.260 55.285 -0.025 1
1 682 . 12 1 1 A 76 76 LEU CB C 54 42.210 43.182 -0.972 1
1 686 . 12 1 1 A 76 76 LEU N N 54 127.239 125.100 2.139 1
1 687 . 12 1 1 A 77 77 LEU H H 55 8.863 9.002 -0.139 1
1 688 . 12 1 1 A 77 77 LEU HA H 55 4.605 4.836 -0.231 1
1 698 . 12 1 1 A 77 77 LEU CA C 55 52.230 51.391 0.839 1
1 699 . 12 1 1 A 77 77 LEU CB C 55 43.090 42.582 0.508 1
1 703 . 12 1 1 A 77 77 LEU N N 55 127.741 127.946 -0.205 1
1 704 . 12 1 1 A 78 78 PRO HA H 56 4.708 4.698 0.010 1
1 711 . 12 1 1 A 78 78 PRO C C 56 179.519 176.913 2.606 1
1 712 . 12 1 1 A 78 78 PRO CA C 56 61.780 61.730 0.050 1
1 713 . 12 1 1 A 78 78 PRO CB C 56 32.600 32.563 0.037 1
1 716 . 12 1 1 A 79 79 ASP H H 57 8.109 8.643 -0.534 1
1 717 . 12 1 1 A 79 79 ASP HA H 57 4.122 4.245 -0.123 1
1 720 . 12 1 1 A 79 79 ASP C C 57 179.782 177.909 1.873 1
1 721 . 12 1 1 A 79 79 ASP CA C 57 57.380 56.428 0.952 1
1 722 . 12 1 1 A 79 79 ASP CB C 57 41.200 39.929 1.271 1
1 723 . 12 1 1 A 79 79 ASP N N 57 116.504 121.653 -5.149 1
1 724 . 12 1 1 A 80 80 HIS H H 58 7.815 7.675 0.140 1
1 725 . 12 1 1 A 80 80 HIS HA H 58 4.519 4.435 0.084 1
1 730 . 12 1 1 A 80 80 HIS C C 58 177.668 174.985 2.683 1
1 731 . 12 1 1 A 80 80 HIS CA C 58 57.110 57.733 -0.623 1
1 732 . 12 1 1 A 80 80 HIS CB C 58 30.770 29.144 1.626 1
1 735 . 12 1 1 A 80 80 HIS N N 58 112.239 115.077 -2.838 1
1 736 . 12 1 1 A 81 81 LEU H H 59 6.281 6.860 -0.579 1
1 737 . 12 1 1 A 81 81 LEU HA H 59 4.157 4.970 -0.813 1
1 747 . 12 1 1 A 81 81 LEU C C 59 178.501 176.280 2.221 1
1 748 . 12 1 1 A 81 81 LEU CA C 59 53.970 52.889 1.081 1
1 749 . 12 1 1 A 81 81 LEU CB C 59 43.360 45.083 -1.723 1
1 753 . 12 1 1 A 81 81 LEU N N 59 120.531 116.623 3.908 1
1 754 . 12 1 1 A 82 82 GLN H H 60 8.863 8.809 0.054 1
1 755 . 12 1 1 A 82 82 GLN HA H 60 4.891 4.452 0.439 1
1 762 . 12 1 1 A 82 82 GLN C C 60 180.417 177.787 2.630 1
1 763 . 12 1 1 A 82 82 GLN CA C 60 54.880 55.624 -0.744 1
1 764 . 12 1 1 A 82 82 GLN CB C 60 31.480 29.558 1.922 1
1 766 . 12 1 1 A 82 82 GLN N N 60 118.014 119.530 -1.516 1
1 768 . 12 1 1 A 83 83 LEU H H 61 8.688 8.630 0.058 1
1 769 . 12 1 1 A 83 83 LEU HA H 61 3.705 3.869 -0.164 1
1 779 . 12 1 1 A 83 83 LEU C C 61 181.775 178.711 3.064 1
1 780 . 12 1 1 A 83 83 LEU CA C 61 58.510 58.013 0.497 1
1 781 . 12 1 1 A 83 83 LEU CB C 61 40.330 41.349 -1.019 1
1 785 . 12 1 1 A 83 83 LEU N N 61 121.910 124.300 -2.390 1
1 786 . 12 1 1 A 84 84 LYS H H 62 8.525 8.298 0.227 1
1 787 . 12 1 1 A 84 84 LYS HA H 62 3.972 4.016 -0.044 1
1 796 . 12 1 1 A 84 84 LYS C C 62 177.865 178.178 -0.313 1
1 797 . 12 1 1 A 84 84 LYS CA C 62 57.690 59.044 -1.354 1
1 798 . 12 1 1 A 84 84 LYS CB C 62 31.440 31.867 -0.427 1
1 802 . 12 1 1 A 84 84 LYS N N 62 115.896 117.601 -1.705 1
1 803 . 12 1 1 A 85 85 ASP H H 63 7.598 7.913 -0.315 1
1 804 . 12 1 1 A 85 85 ASP HA H 63 4.710 4.337 0.373 1
1 807 . 12 1 1 A 85 85 ASP C C 63 177.307 177.541 -0.234 1
1 808 . 12 1 1 A 85 85 ASP CA C 63 55.460 57.511 -2.051 1
1 809 . 12 1 1 A 85 85 ASP CB C 63 42.000 41.449 0.551 1
1 810 . 12 1 1 A 85 85 ASP N N 63 118.917 119.559 -0.642 1
1 811 . 12 1 1 A 86 86 ILE H H 64 7.417 7.252 0.165 1
1 812 . 12 1 1 A 86 86 ILE HA H 64 4.027 3.997 0.030 1
1 822 . 12 1 1 A 86 86 ILE C C 64 177.055 176.875 0.180 1
1 823 . 12 1 1 A 86 86 ILE CA C 64 62.150 62.325 -0.175 1
1 824 . 12 1 1 A 86 86 ILE CB C 64 42.670 39.022 3.648 1
1 828 . 12 1 1 A 86 86 ILE N N 64 117.599 116.935 0.664 1
1 829 . 12 1 1 A 87 87 LEU H H 65 7.399 7.276 0.123 1
1 830 . 12 1 1 A 87 87 LEU HA H 65 3.695 4.038 -0.343 1
1 840 . 12 1 1 A 87 87 LEU C C 65 179.409 177.148 2.261 1
1 841 . 12 1 1 A 87 87 LEU CA C 65 55.040 54.103 0.937 1
1 842 . 12 1 1 A 87 87 LEU CB C 65 40.910 41.213 -0.303 1
1 846 . 12 1 1 A 87 87 LEU N N 65 116.948 119.008 -2.060 1
1 847 . 12 1 1 A 88 88 ARG H H 66 7.954 7.297 0.657 1
1 848 . 12 1 1 A 88 88 ARG HA H 66 4.227 3.953 0.274 1
1 855 . 12 1 1 A 88 88 ARG C C 66 179.333 178.633 0.700 1
1 856 . 12 1 1 A 88 88 ARG CA C 66 56.960 58.892 -1.932 1
1 857 . 12 1 1 A 88 88 ARG CB C 66 30.570 29.701 0.869 1
1 860 . 12 1 1 A 88 88 ARG N N 66 122.752 121.174 1.578 1
1 861 . 12 1 1 A 89 89 LYS H H 67 8.374 7.946 0.428 1
1 862 . 12 1 1 A 89 89 LYS HA H 67 3.948 4.018 -0.070 1
1 871 . 12 1 1 A 89 89 LYS C C 67 179.278 178.753 0.525 1
1 872 . 12 1 1 A 89 89 LYS CA C 67 58.560 59.737 -1.177 1
1 873 . 12 1 1 A 89 89 LYS CB C 67 32.620 32.198 0.422 1
1 877 . 12 1 1 A 89 89 LYS N N 67 124.661 118.503 6.158 1
1 878 . 12 1 1 A 90 90 GLN H H 68 8.616 7.725 0.891 1
1 879 . 12 1 1 A 90 90 GLN HA H 68 4.169 4.075 0.094 1
1 886 . 12 1 1 A 90 90 GLN C C 68 177.778 175.573 2.205 1
1 887 . 12 1 1 A 90 90 GLN CA C 68 56.670 58.530 -1.860 1
1 888 . 12 1 1 A 90 90 GLN CB C 68 28.230 28.771 -0.541 1
1 890 . 12 1 1 A 90 90 GLN N N 68 115.896 119.407 -3.511 1
1 892 . 12 1 1 A 91 91 ASP H H 69 7.319 8.308 -0.989 1
1 893 . 12 1 1 A 91 91 ASP HA H 69 4.523 4.899 -0.376 1
1 896 . 12 1 1 A 91 91 ASP C C 69 177.164 176.281 0.883 1
1 897 . 12 1 1 A 91 91 ASP CA C 69 54.440 56.107 -1.667 1
1 898 . 12 1 1 A 91 91 ASP CB C 69 41.200 40.462 0.738 1
1 899 . 12 1 1 A 91 91 ASP N N 69 121.181 119.257 1.924 1
1 900 . 12 1 1 A 92 92 GLU H H 70 8.320 8.093 0.227 1
1 901 . 12 1 1 A 92 92 GLU HA H 70 3.892 4.103 -0.211 1
1 906 . 12 1 1 A 92 92 GLU C C 70 177.657 175.367 2.290 1
1 907 . 12 1 1 A 92 92 GLU CA C 70 57.260 58.632 -1.372 1
1 908 . 12 1 1 A 92 92 GLU CB C 70 30.750 29.758 0.992 1
1 910 . 12 1 1 A 92 92 GLU N N 70 120.205 118.654 1.551 1
1 911 . 12 1 1 A 93 93 TYR H H 71 7.251 7.604 -0.353 1
1 912 . 12 1 1 A 93 93 TYR HA H 71 4.550 5.244 -0.694 1
1 919 . 12 1 1 A 93 93 TYR C C 71 175.861 174.814 1.047 1
1 920 . 12 1 1 A 93 93 TYR CA C 71 55.550 55.794 -0.244 1
1 921 . 12 1 1 A 93 93 TYR CB C 71 39.680 40.764 -1.084 1
1 924 . 12 1 1 A 93 93 TYR N N 71 115.349 115.479 -0.130 1
1 925 . 12 1 1 A 94 94 HIS H H 72 7.991 8.722 -0.731 1
1 926 . 12 1 1 A 94 94 HIS HA H 72 5.034 5.265 -0.231 1
1 930 . 12 1 1 A 94 94 HIS C C 72 176.157 174.131 2.026 1
1 931 . 12 1 1 A 94 94 HIS CA C 72 54.990 54.456 0.534 1
1 932 . 12 1 1 A 94 94 HIS CB C 72 33.910 32.085 1.825 1
1 934 . 12 1 1 A 94 94 HIS N N 72 120.146 119.195 0.951 1
1 935 . 12 1 1 A 95 95 MET H H 73 9.227 8.964 0.263 1
1 936 . 12 1 1 A 95 95 MET HA H 73 5.306 4.811 0.495 1
1 941 . 12 1 1 A 95 95 MET C C 73 176.891 175.359 1.532 1
1 942 . 12 1 1 A 95 95 MET CA C 73 54.500 54.602 -0.102 1
1 943 . 12 1 1 A 95 95 MET CB C 73 33.690 32.837 0.853 1
1 945 . 12 1 1 A 95 95 MET N N 73 124.691 124.561 0.130 1
1 946 . 12 1 1 A 96 96 VAL H H 74 9.070 8.940 0.130 1
1 947 . 12 1 1 A 96 96 VAL HA H 74 4.719 4.574 0.145 1
1 955 . 12 1 1 A 96 96 VAL C C 74 175.653 175.026 0.627 1
1 956 . 12 1 1 A 96 96 VAL CA C 74 60.790 60.678 0.112 1
1 957 . 12 1 1 A 96 96 VAL CB C 74 35.290 34.435 0.855 1
1 960 . 12 1 1 A 96 96 VAL N N 74 125.298 124.930 0.368 1
1 961 . 12 1 1 A 97 97 HIS H H 75 9.197 8.791 0.406 1
1 962 . 12 1 1 A 97 97 HIS HA H 75 5.213 4.858 0.355 1
1 966 . 12 1 1 A 97 97 HIS C C 75 176.245 174.387 1.858 1
1 967 . 12 1 1 A 97 97 HIS CA C 75 55.800 55.791 0.009 1
1 968 . 12 1 1 A 97 97 HIS CB C 75 32.170 29.684 2.486 1
1 970 . 12 1 1 A 97 97 HIS N N 75 125.299 126.190 -0.891 1
1 971 . 12 1 1 A 98 98 LEU H H 76 8.423 8.846 -0.423 1
1 972 . 12 1 1 A 98 98 LEU HA H 76 5.059 4.733 0.326 1
1 982 . 12 1 1 A 98 98 LEU C C 76 177.592 176.902 0.690 1
1 983 . 12 1 1 A 98 98 LEU CA C 76 54.150 54.582 -0.432 1
1 984 . 12 1 1 A 98 98 LEU CB C 76 43.540 41.614 1.926 1
1 988 . 12 1 1 A 98 98 LEU N N 76 126.291 127.313 -1.022 1
1 13 . 13 1 1 A 24 24 VAL H H 2 8.008 8.177 -0.169 1
1 14 . 13 1 1 A 24 24 VAL HA H 2 4.297 4.168 0.129 1
1 22 . 13 1 1 A 24 24 VAL C C 2 175.571 175.625 -0.054 1
1 23 . 13 1 1 A 24 24 VAL CA C 2 60.030 61.685 -1.655 1
1 24 . 13 1 1 A 24 24 VAL CB C 2 34.710 31.281 3.429 1
1 27 . 13 1 1 A 24 24 VAL N N 2 118.399 122.240 -3.841 1
1 28 . 13 1 1 A 25 25 THR H H 3 8.520 8.937 -0.417 1
1 29 . 13 1 1 A 25 25 THR HA H 3 4.738 4.432 0.306 1
1 34 . 13 1 1 A 25 25 THR C C 3 175.275 173.240 2.035 1
1 35 . 13 1 1 A 25 25 THR CA C 3 62.350 63.183 -0.833 1
1 36 . 13 1 1 A 25 25 THR CB C 3 69.930 68.107 1.823 1
1 38 . 13 1 1 A 25 25 THR N N 3 121.522 123.577 -2.055 1
1 39 . 13 1 1 A 26 26 LEU H H 4 8.929 9.074 -0.145 1
1 40 . 13 1 1 A 26 26 LEU HA H 4 5.102 5.005 0.097 1
1 50 . 13 1 1 A 26 26 LEU C C 4 176.809 175.003 1.806 1
1 51 . 13 1 1 A 26 26 LEU CA C 4 52.850 53.956 -1.106 1
1 52 . 13 1 1 A 26 26 LEU CB C 4 45.140 43.870 1.270 1
1 56 . 13 1 1 A 26 26 LEU N N 4 127.076 128.651 -1.575 1
1 57 . 13 1 1 A 27 27 ILE H H 5 8.990 8.941 0.049 1
1 58 . 13 1 1 A 27 27 ILE HA H 5 4.682 4.817 -0.135 1
1 68 . 13 1 1 A 27 27 ILE C C 5 176.962 175.466 1.496 1
1 69 . 13 1 1 A 27 27 ILE CA C 5 59.810 61.289 -1.479 1
1 70 . 13 1 1 A 27 27 ILE CB C 5 38.590 36.840 1.750 1
1 74 . 13 1 1 A 27 27 ILE N N 5 122.974 127.737 -4.763 1
1 75 . 13 1 1 A 28 28 ILE H H 6 9.288 9.088 0.200 1
1 76 . 13 1 1 A 28 28 ILE HA H 6 5.025 4.615 0.410 1
1 86 . 13 1 1 A 28 28 ILE C C 6 178.889 175.662 3.227 1
1 87 . 13 1 1 A 28 28 ILE CA C 6 57.620 60.993 -3.373 1
1 88 . 13 1 1 A 28 28 ILE CB C 6 36.680 37.355 -0.675 1
1 92 . 13 1 1 A 28 28 ILE N N 6 125.520 129.396 -3.876 1
1 93 . 13 1 1 A 29 29 LYS H H 7 8.832 8.812 0.020 1
1 94 . 13 1 1 A 29 29 LYS HA H 7 4.597 5.055 -0.458 1
1 103 . 13 1 1 A 29 29 LYS C C 7 176.414 174.945 1.469 1
1 104 . 13 1 1 A 29 29 LYS CA C 7 54.240 54.373 -0.133 1
1 105 . 13 1 1 A 29 29 LYS CB C 7 34.050 36.087 -2.037 1
1 109 . 13 1 1 A 29 29 LYS N N 7 130.704 124.757 5.947 1
1 110 . 13 1 1 A 30 30 ALA H H 8 9.021 8.648 0.373 1
1 111 . 13 1 1 A 30 30 ALA HA H 8 5.221 5.038 0.183 1
1 115 . 13 1 1 A 30 30 ALA CA C 8 49.220 49.970 -0.750 1
1 116 . 13 1 1 A 30 30 ALA CB C 8 20.620 19.959 0.661 1
1 117 . 13 1 1 A 30 30 ALA N N 8 126.869 123.509 3.360 1
1 118 . 13 1 1 A 31 31 PRO HA H 9 4.445 4.419 0.026 1
1 125 . 13 1 1 A 31 31 PRO CA C 9 63.990 65.119 -1.129 1
1 126 . 13 1 1 A 31 31 PRO CB C 9 31.860 31.913 -0.053 1
1 129 . 13 1 1 A 32 32 ASN HA H 10 4.531 4.658 -0.127 1
1 134 . 13 1 1 A 32 32 ASN C C 10 176.666 175.587 1.079 1
1 135 . 13 1 1 A 32 32 ASN CA C 10 53.210 55.450 -2.240 1
1 136 . 13 1 1 A 32 32 ASN CB C 10 38.150 38.648 -0.498 1
1 138 . 13 1 1 A 33 33 GLN H H 11 8.123 7.951 0.172 1
1 139 . 13 1 1 A 33 33 GLN N N 11 114.038 117.479 -3.441 1
1 140 . 13 1 1 A 34 34 LYS HA H 12 3.817 3.889 -0.072 1
1 149 . 13 1 1 A 34 34 LYS C C 12 178.002 175.717 2.285 1
1 150 . 13 1 1 A 34 34 LYS CA C 12 58.290 58.958 -0.668 1
1 151 . 13 1 1 A 34 34 LYS CB C 12 32.570 31.915 0.655 1
1 155 . 13 1 1 A 35 35 TYR H H 13 6.845 8.162 -1.317 1
1 156 . 13 1 1 A 35 35 TYR HA H 13 4.654 5.100 -0.446 1
1 163 . 13 1 1 A 35 35 TYR CA C 13 56.060 57.385 -1.325 1
1 164 . 13 1 1 A 35 35 TYR CB C 13 41.000 39.624 1.376 1
1 167 . 13 1 1 A 35 35 TYR N N 13 112.988 117.445 -4.457 1
1 168 . 13 1 1 A 36 36 SER HA H 14 4.376 4.469 -0.093 1
1 171 . 13 1 1 A 36 36 SER C C 14 177.170 173.282 3.888 1
1 172 . 13 1 1 A 36 36 SER CA C 14 58.160 58.758 -0.598 1
1 173 . 13 1 1 A 36 36 SER CB C 14 64.000 64.090 -0.090 1
1 174 . 13 1 1 A 37 37 ASP H H 15 8.910 8.571 0.339 1
1 175 . 13 1 1 A 37 37 ASP HA H 15 4.622 4.739 -0.117 1
1 178 . 13 1 1 A 37 37 ASP C C 15 178.221 175.925 2.296 1
1 179 . 13 1 1 A 37 37 ASP CA C 15 55.680 53.847 1.833 1
1 180 . 13 1 1 A 37 37 ASP CB C 15 39.640 39.927 -0.287 1
1 181 . 13 1 1 A 37 37 ASP N N 15 125.921 123.045 2.876 1
1 182 . 13 1 1 A 38 38 GLN H H 16 8.224 8.767 -0.543 1
1 183 . 13 1 1 A 38 38 GLN HA H 16 4.653 4.720 -0.067 1
1 190 . 13 1 1 A 38 38 GLN C C 16 176.655 175.714 0.941 1
1 191 . 13 1 1 A 38 38 GLN CA C 16 53.230 55.719 -2.489 1
1 192 . 13 1 1 A 38 38 GLN CB C 16 31.390 30.208 1.182 1
1 194 . 13 1 1 A 38 38 GLN N N 16 121.123 124.816 -3.693 1
1 196 . 13 1 1 A 39 39 THR H H 17 8.733 8.646 0.087 1
1 197 . 13 1 1 A 39 39 THR HA H 17 4.936 4.618 0.318 1
1 202 . 13 1 1 A 39 39 THR C C 17 176.173 173.896 2.277 1
1 203 . 13 1 1 A 39 39 THR CA C 17 62.170 61.176 0.994 1
1 204 . 13 1 1 A 39 39 THR CB C 17 69.300 68.947 0.353 1
1 206 . 13 1 1 A 39 39 THR N N 17 120.324 116.338 3.986 1
1 207 . 13 1 1 A 40 40 ILE H H 18 9.424 9.076 0.348 1
1 208 . 13 1 1 A 40 40 ILE HA H 18 4.592 4.711 -0.119 1
1 218 . 13 1 1 A 40 40 ILE C C 18 176.184 175.330 0.854 1
1 219 . 13 1 1 A 40 40 ILE CA C 18 58.200 60.205 -2.005 1
1 220 . 13 1 1 A 40 40 ILE CB C 18 41.130 38.567 2.563 1
1 224 . 13 1 1 A 40 40 ILE N N 18 126.321 128.280 -1.959 1
1 225 . 13 1 1 A 41 41 SER H H 19 8.518 8.750 -0.232 1
1 226 . 13 1 1 A 41 41 SER HA H 19 4.939 4.593 0.346 1
1 229 . 13 1 1 A 41 41 SER C C 19 175.210 174.427 0.783 1
1 230 . 13 1 1 A 41 41 SER CA C 19 57.160 58.696 -1.536 1
1 231 . 13 1 1 A 41 41 SER CB C 19 63.660 63.280 0.380 1
1 232 . 13 1 1 A 41 41 SER N N 19 120.959 122.848 -1.889 1
1 233 . 13 1 1 A 42 42 CYS H H 20 8.444 8.725 -0.281 1
1 234 . 13 1 1 A 42 42 CYS HA H 20 3.546 5.337 -1.791 1
1 237 . 13 1 1 A 42 42 CYS CA C 20 55.410 57.748 -2.338 1
1 238 . 13 1 1 A 42 42 CYS CB C 20 28.570 33.717 -5.147 1
1 239 . 13 1 1 A 42 42 CYS N N 20 120.248 122.823 -2.575 1
1 240 . 13 1 1 A 43 43 PHE HA H 21 4.580 4.748 -0.168 1
1 248 . 13 1 1 A 43 43 PHE C C 21 177.980 175.618 2.362 1
1 249 . 13 1 1 A 43 43 PHE CA C 21 56.490 55.969 0.521 1
1 250 . 13 1 1 A 43 43 PHE CB C 21 42.360 42.407 -0.047 1
1 254 . 13 1 1 A 44 44 LEU H H 22 9.159 8.923 0.236 1
1 255 . 13 1 1 A 44 44 LEU HA H 22 3.779 4.189 -0.410 1
1 265 . 13 1 1 A 44 44 LEU C C 22 178.177 178.274 -0.097 1
1 266 . 13 1 1 A 44 44 LEU CA C 22 56.980 56.038 0.942 1
1 267 . 13 1 1 A 44 44 LEU CB C 22 42.090 41.242 0.848 1
1 271 . 13 1 1 A 44 44 LEU N N 22 120.130 124.983 -4.853 1
1 272 . 13 1 1 A 45 45 ASN H H 23 8.058 7.788 0.270 1
1 273 . 13 1 1 A 45 45 ASN HA H 23 4.650 4.259 0.391 1
1 276 . 13 1 1 A 45 45 ASN C C 23 178.364 175.687 2.677 1
1 277 . 13 1 1 A 45 45 ASN CA C 23 52.880 56.261 -3.381 1
1 278 . 13 1 1 A 45 45 ASN CB C 23 37.320 39.309 -1.989 1
1 279 . 13 1 1 A 45 45 ASN N N 23 112.017 117.726 -5.709 1
1 280 . 13 1 1 A 46 46 TRP H H 24 7.857 7.435 0.422 1
1 281 . 13 1 1 A 46 46 TRP HA H 24 4.712 4.769 -0.057 1
1 290 . 13 1 1 A 46 46 TRP C C 24 178.802 176.371 2.431 1
1 291 . 13 1 1 A 46 46 TRP CA C 24 57.240 57.457 -0.217 1
1 292 . 13 1 1 A 46 46 TRP CB C 24 29.250 30.506 -1.256 1
1 298 . 13 1 1 A 46 46 TRP N N 24 121.301 117.947 3.354 1
1 300 . 13 1 1 A 47 47 THR H H 25 7.473 9.022 -1.549 1
1 301 . 13 1 1 A 47 47 THR HA H 25 5.097 4.703 0.394 1
1 306 . 13 1 1 A 47 47 THR C C 25 178.375 176.417 1.958 1
1 307 . 13 1 1 A 47 47 THR CA C 25 59.940 60.597 -0.657 1
1 308 . 13 1 1 A 47 47 THR CB C 25 71.080 71.329 -0.249 1
1 310 . 13 1 1 A 47 47 THR N N 25 109.055 114.090 -5.035 1
1 311 . 13 1 1 A 48 48 VAL H H 26 8.349 8.617 -0.268 1
1 312 . 13 1 1 A 48 48 VAL HA H 26 3.433 3.470 -0.037 1
1 320 . 13 1 1 A 48 48 VAL C C 26 180.548 178.379 2.169 1
1 321 . 13 1 1 A 48 48 VAL CA C 26 66.460 66.709 -0.249 1
1 322 . 13 1 1 A 48 48 VAL CB C 26 31.540 31.547 -0.007 1
1 325 . 13 1 1 A 48 48 VAL N N 26 123.048 122.199 0.849 1
1 326 . 13 1 1 A 49 49 GLY H H 27 9.099 8.507 0.592 1
1 327 . 13 1 1 A 49 49 GLY HA2 H 27 3.895 3.719 0.176 1
1 328 . 13 1 1 A 49 49 GLY HA3 H 27 3.512 3.724 -0.212 1
1 329 . 13 1 1 A 49 49 GLY C C 27 177.909 175.575 2.334 1
1 330 . 13 1 1 A 49 49 GLY CA C 27 47.100 47.273 -0.173 1
1 331 . 13 1 1 A 49 49 GLY N N 27 107.086 107.508 -0.422 1
1 332 . 13 1 1 A 50 50 LYS H H 28 7.937 8.028 -0.091 1
1 333 . 13 1 1 A 50 50 LYS HA H 28 3.907 3.946 -0.039 1
1 342 . 13 1 1 A 50 50 LYS C C 28 180.866 179.264 1.602 1
1 343 . 13 1 1 A 50 50 LYS CA C 28 59.000 59.324 -0.324 1
1 344 . 13 1 1 A 50 50 LYS CB C 28 31.730 32.226 -0.496 1
1 348 . 13 1 1 A 50 50 LYS N N 28 125.227 122.555 2.672 1
1 349 . 13 1 1 A 51 51 LEU H H 29 8.364 8.038 0.326 1
1 350 . 13 1 1 A 51 51 LEU HA H 29 4.357 4.099 0.258 1
1 360 . 13 1 1 A 51 51 LEU C C 29 180.056 178.376 1.680 1
1 361 . 13 1 1 A 51 51 LEU CA C 29 58.360 57.865 0.495 1
1 362 . 13 1 1 A 51 51 LEU CB C 29 41.510 41.456 0.054 1
1 366 . 13 1 1 A 51 51 LEU N N 29 122.366 121.654 0.712 1
1 367 . 13 1 1 A 52 52 LYS H H 30 8.711 8.228 0.483 1
1 368 . 13 1 1 A 52 52 LYS HA H 30 4.542 4.093 0.449 1
1 377 . 13 1 1 A 52 52 LYS C C 30 182.257 179.075 3.182 1
1 378 . 13 1 1 A 52 52 LYS CA C 30 59.310 59.263 0.047 1
1 379 . 13 1 1 A 52 52 LYS CB C 30 33.380 31.914 1.466 1
1 383 . 13 1 1 A 52 52 LYS N N 30 119.050 119.270 -0.220 1
1 384 . 13 1 1 A 53 53 THR H H 31 8.130 7.708 0.422 1
1 385 . 13 1 1 A 53 53 THR HA H 31 3.655 3.892 -0.237 1
1 390 . 13 1 1 A 53 53 THR C C 31 179.092 176.003 3.089 1
1 391 . 13 1 1 A 53 53 THR CA C 31 66.890 66.601 0.289 1
1 392 . 13 1 1 A 53 53 THR CB C 31 68.370 68.352 0.018 1
1 394 . 13 1 1 A 53 53 THR N N 31 118.206 117.218 0.988 1
1 395 . 13 1 1 A 54 54 HIS H H 32 8.310 7.700 0.610 1
1 396 . 13 1 1 A 54 54 HIS HA H 32 4.566 4.122 0.444 1
1 400 . 13 1 1 A 54 54 HIS C C 32 180.735 177.154 3.581 1
1 401 . 13 1 1 A 54 54 HIS CA C 32 60.010 59.944 0.066 1
1 402 . 13 1 1 A 54 54 HIS CB C 32 31.620 29.107 2.513 1
1 404 . 13 1 1 A 54 54 HIS N N 32 124.425 122.759 1.666 1
1 405 . 13 1 1 A 55 55 LEU H H 33 9.036 8.232 0.804 1
1 406 . 13 1 1 A 55 55 LEU HA H 33 3.958 3.862 0.096 1
1 416 . 13 1 1 A 55 55 LEU C C 33 180.877 179.081 1.796 1
1 417 . 13 1 1 A 55 55 LEU CA C 33 58.180 57.699 0.481 1
1 418 . 13 1 1 A 55 55 LEU CB C 33 40.710 41.665 -0.955 1
1 422 . 13 1 1 A 55 55 LEU N N 33 119.746 120.789 -1.043 1
1 423 . 13 1 1 A 56 56 SER H H 34 8.266 7.847 0.419 1
1 424 . 13 1 1 A 56 56 SER HA H 34 4.159 4.060 0.099 1
1 427 . 13 1 1 A 56 56 SER C C 34 176.015 176.122 -0.107 1
1 428 . 13 1 1 A 56 56 SER CA C 34 61.590 61.111 0.479 1
1 429 . 13 1 1 A 56 56 SER CB C 34 63.600 63.183 0.417 1
1 430 . 13 1 1 A 56 56 SER N N 34 114.534 113.709 0.825 1
1 431 . 13 1 1 A 57 57 ASN H H 35 7.273 7.519 -0.246 1
1 432 . 13 1 1 A 57 57 ASN HA H 35 4.799 4.685 0.114 1
1 437 . 13 1 1 A 57 57 ASN C C 35 179.004 177.489 1.515 1
1 438 . 13 1 1 A 57 57 ASN CA C 35 54.520 55.321 -0.801 1
1 439 . 13 1 1 A 57 57 ASN CB C 35 40.890 39.235 1.655 1
1 440 . 13 1 1 A 57 57 ASN N N 35 115.349 118.392 -3.043 1
1 442 . 13 1 1 A 58 58 VAL H H 36 7.810 7.354 0.456 1
1 443 . 13 1 1 A 58 58 VAL HA H 36 4.309 4.077 0.232 1
1 451 . 13 1 1 A 58 58 VAL C C 36 178.446 175.493 2.953 1
1 452 . 13 1 1 A 58 58 VAL CA C 36 62.350 63.241 -0.891 1
1 453 . 13 1 1 A 58 58 VAL CB C 36 32.980 31.698 1.282 1
1 456 . 13 1 1 A 58 58 VAL N N 36 110.874 113.425 -2.551 1
1 457 . 13 1 1 A 59 59 TYR H H 37 8.896 7.675 1.221 1
1 458 . 13 1 1 A 59 59 TYR HA H 37 4.482 4.728 -0.246 1
1 465 . 13 1 1 A 59 59 TYR CA C 37 57.740 56.773 0.967 1
1 466 . 13 1 1 A 59 59 TYR CB C 37 40.440 39.713 0.727 1
1 469 . 13 1 1 A 59 59 TYR N N 37 127.773 124.495 3.278 1
1 470 . 13 1 1 A 60 60 PRO HA H 38 3.956 4.283 -0.327 1
1 477 . 13 1 1 A 60 60 PRO C C 38 178.511 178.025 0.486 1
1 478 . 13 1 1 A 60 60 PRO CA C 38 65.560 65.621 -0.061 1
1 479 . 13 1 1 A 60 60 PRO CB C 38 31.860 31.525 0.335 1
1 482 . 13 1 1 A 61 61 SER H H 39 6.571 7.936 -1.365 1
1 483 . 13 1 1 A 61 61 SER HA H 39 4.238 4.405 -0.167 1
1 486 . 13 1 1 A 61 61 SER C C 39 175.774 174.062 1.712 1
1 487 . 13 1 1 A 61 61 SER CA C 39 58.290 60.541 -2.251 1
1 488 . 13 1 1 A 61 61 SER CB C 39 63.420 63.835 -0.415 1
1 489 . 13 1 1 A 61 61 SER N N 39 108.382 111.904 -3.522 1
1 490 . 13 1 1 A 62 62 LYS H H 40 8.384 7.758 0.626 1
1 491 . 13 1 1 A 62 62 LYS HA H 40 3.922 3.998 -0.076 1
1 500 . 13 1 1 A 62 62 LYS CA C 40 56.710 56.672 0.038 1
1 501 . 13 1 1 A 62 62 LYS CB C 40 30.640 30.599 0.041 1
1 505 . 13 1 1 A 62 62 LYS N N 40 118.443 119.067 -0.624 1
1 506 . 13 1 1 A 63 63 PRO HA H 41 4.284 4.519 -0.235 1
1 513 . 13 1 1 A 63 63 PRO C C 41 179.464 176.372 3.092 1
1 514 . 13 1 1 A 63 63 PRO CA C 41 62.620 62.326 0.294 1
1 515 . 13 1 1 A 63 63 PRO CB C 41 31.640 32.203 -0.563 1
1 518 . 13 1 1 A 64 64 LEU H H 42 8.689 8.376 0.313 1
1 519 . 13 1 1 A 64 64 LEU HA H 42 4.212 4.238 -0.026 1
1 529 . 13 1 1 A 64 64 LEU C C 42 182.476 176.700 5.776 1
1 530 . 13 1 1 A 64 64 LEU CA C 42 54.750 54.475 0.275 1
1 531 . 13 1 1 A 64 64 LEU CB C 42 41.360 40.762 0.598 1
1 535 . 13 1 1 A 64 64 LEU N N 42 122.677 122.200 0.477 1
1 536 . 13 1 1 A 65 65 THR H H 43 8.858 8.551 0.307 1
1 537 . 13 1 1 A 65 65 THR HA H 43 3.779 3.907 -0.128 1
1 542 . 13 1 1 A 65 65 THR C C 43 180.078 176.135 3.943 1
1 543 . 13 1 1 A 65 65 THR CA C 43 66.310 65.944 0.366 1
1 544 . 13 1 1 A 65 65 THR CB C 43 68.100 68.767 -0.667 1
1 546 . 13 1 1 A 65 65 THR N N 43 116.000 120.285 -4.285 1
1 547 . 13 1 1 A 66 66 LYS H H 44 7.921 8.568 -0.647 1
1 548 . 13 1 1 A 66 66 LYS HA H 44 4.125 4.054 0.071 1
1 557 . 13 1 1 A 66 66 LYS C C 44 177.953 177.860 0.093 1
1 558 . 13 1 1 A 66 66 LYS CA C 44 57.730 58.951 -1.221 1
1 559 . 13 1 1 A 66 66 LYS CB C 44 31.890 32.080 -0.190 1
1 563 . 13 1 1 A 66 66 LYS N N 44 117.614 120.270 -2.656 1
1 564 . 13 1 1 A 67 67 ASP H H 45 7.394 7.727 -0.333 1
1 565 . 13 1 1 A 67 67 ASP HA H 45 4.746 4.823 -0.077 1
1 568 . 13 1 1 A 67 67 ASP C C 45 177.876 176.319 1.557 1
1 569 . 13 1 1 A 67 67 ASP CA C 45 54.350 55.798 -1.448 1
1 570 . 13 1 1 A 67 67 ASP CB C 45 42.090 42.256 -0.166 1
1 571 . 13 1 1 A 67 67 ASP N N 45 118.443 118.963 -0.520 1
1 572 . 13 1 1 A 68 68 GLN H H 46 7.143 7.859 -0.716 1
1 573 . 13 1 1 A 68 68 GLN HA H 46 4.054 4.582 -0.528 1
1 578 . 13 1 1 A 68 68 GLN C C 46 177.515 176.261 1.254 1
1 579 . 13 1 1 A 68 68 GLN CA C 46 56.750 56.606 0.144 1
1 580 . 13 1 1 A 68 68 GLN CB C 46 31.150 29.479 1.671 1
1 582 . 13 1 1 A 68 68 GLN N N 46 120.205 118.971 1.234 1
1 583 . 13 1 1 A 69 69 ARG H H 47 8.269 8.771 -0.502 1
1 584 . 13 1 1 A 69 69 ARG HA H 47 4.334 4.993 -0.659 1
1 591 . 13 1 1 A 69 69 ARG C C 47 175.708 174.860 0.848 1
1 592 . 13 1 1 A 69 69 ARG CA C 47 55.010 54.561 0.449 1
1 593 . 13 1 1 A 69 69 ARG CB C 47 31.390 33.735 -2.345 1
1 596 . 13 1 1 A 69 69 ARG N N 47 124.781 123.743 1.038 1
1 597 . 13 1 1 A 70 70 LEU H H 48 8.254 8.698 -0.444 1
1 598 . 13 1 1 A 70 70 LEU HA H 48 5.444 5.058 0.386 1
1 608 . 13 1 1 A 70 70 LEU C C 48 177.175 176.000 1.175 1
1 609 . 13 1 1 A 70 70 LEU CA C 48 52.810 53.509 -0.699 1
1 610 . 13 1 1 A 70 70 LEU CB C 48 45.100 42.531 2.569 1
1 614 . 13 1 1 A 70 70 LEU N N 48 122.071 123.705 -1.634 1
1 615 . 13 1 1 A 71 71 VAL H H 49 9.251 8.898 0.353 1
1 616 . 13 1 1 A 71 71 VAL HA H 49 4.889 4.970 -0.081 1
1 624 . 13 1 1 A 71 71 VAL C C 49 177.208 173.595 3.613 1
1 625 . 13 1 1 A 71 71 VAL CA C 49 60.570 60.979 -0.409 1
1 626 . 13 1 1 A 71 71 VAL CB C 49 34.580 34.899 -0.319 1
1 629 . 13 1 1 A 71 71 VAL N N 49 122.797 124.629 -1.832 1
1 630 . 13 1 1 A 72 72 TYR H H 50 8.684 9.194 -0.510 1
1 631 . 13 1 1 A 72 72 TYR HA H 50 5.155 4.999 0.156 1
1 638 . 13 1 1 A 72 72 TYR CA C 50 56.060 57.313 -1.253 1
1 639 . 13 1 1 A 72 72 TYR CB C 50 43.140 40.348 2.792 1
1 642 . 13 1 1 A 72 72 TYR N N 50 126.349 129.075 -2.726 1
1 643 . 13 1 1 A 73 73 SER HA H 51 3.673 4.115 -0.442 1
1 646 . 13 1 1 A 73 73 SER C C 51 177.153 174.435 2.718 1
1 647 . 13 1 1 A 73 73 SER CA C 51 58.000 59.967 -1.967 1
1 648 . 13 1 1 A 73 73 SER CB C 51 62.190 61.723 0.467 1
1 649 . 13 1 1 A 74 74 GLY H H 52 8.209 8.418 -0.209 1
1 650 . 13 1 1 A 74 74 GLY HA2 H 52 4.030 4.002 0.028 1
1 651 . 13 1 1 A 74 74 GLY HA3 H 52 3.346 4.031 -0.685 1
1 652 . 13 1 1 A 74 74 GLY C C 52 175.259 174.571 0.688 1
1 653 . 13 1 1 A 74 74 GLY CA C 52 44.990 45.381 -0.391 1
1 654 . 13 1 1 A 74 74 GLY N N 52 103.501 106.876 -3.375 1
1 655 . 13 1 1 A 75 75 ARG H H 53 7.816 7.735 0.081 1
1 656 . 13 1 1 A 75 75 ARG HA H 53 4.555 4.461 0.094 1
1 663 . 13 1 1 A 75 75 ARG C C 53 176.321 175.307 1.014 1
1 664 . 13 1 1 A 75 75 ARG CA C 53 54.590 55.793 -1.203 1
1 665 . 13 1 1 A 75 75 ARG CB C 53 32.620 31.170 1.450 1
1 668 . 13 1 1 A 75 75 ARG N N 53 121.834 120.015 1.819 1
1 669 . 13 1 1 A 76 76 LEU H H 54 8.470 8.372 0.098 1
1 670 . 13 1 1 A 76 76 LEU HA H 54 4.500 4.517 -0.017 1
1 680 . 13 1 1 A 76 76 LEU C C 54 179.639 175.247 4.392 1
1 681 . 13 1 1 A 76 76 LEU CA C 54 55.260 55.313 -0.053 1
1 682 . 13 1 1 A 76 76 LEU CB C 54 42.210 43.081 -0.871 1
1 686 . 13 1 1 A 76 76 LEU N N 54 127.239 125.433 1.806 1
1 687 . 13 1 1 A 77 77 LEU H H 55 8.863 9.078 -0.215 1
1 688 . 13 1 1 A 77 77 LEU HA H 55 4.605 4.835 -0.230 1
1 698 . 13 1 1 A 77 77 LEU CA C 55 52.230 51.363 0.867 1
1 699 . 13 1 1 A 77 77 LEU CB C 55 43.090 42.361 0.729 1
1 703 . 13 1 1 A 77 77 LEU N N 55 127.741 128.297 -0.556 1
1 704 . 13 1 1 A 78 78 PRO HA H 56 4.708 4.693 0.015 1
1 711 . 13 1 1 A 78 78 PRO C C 56 179.519 177.016 2.503 1
1 712 . 13 1 1 A 78 78 PRO CA C 56 61.780 62.372 -0.592 1
1 713 . 13 1 1 A 78 78 PRO CB C 56 32.600 32.519 0.081 1
1 716 . 13 1 1 A 79 79 ASP H H 57 8.109 8.742 -0.633 1
1 717 . 13 1 1 A 79 79 ASP HA H 57 4.122 4.222 -0.100 1
1 720 . 13 1 1 A 79 79 ASP C C 57 179.782 177.529 2.253 1
1 721 . 13 1 1 A 79 79 ASP CA C 57 57.380 56.358 1.022 1
1 722 . 13 1 1 A 79 79 ASP CB C 57 41.200 40.026 1.174 1
1 723 . 13 1 1 A 79 79 ASP N N 57 116.504 121.713 -5.209 1
1 724 . 13 1 1 A 80 80 HIS H H 58 7.815 7.747 0.068 1
1 725 . 13 1 1 A 80 80 HIS HA H 58 4.519 4.453 0.066 1
1 730 . 13 1 1 A 80 80 HIS C C 58 177.668 174.852 2.816 1
1 731 . 13 1 1 A 80 80 HIS CA C 58 57.110 57.098 0.012 1
1 732 . 13 1 1 A 80 80 HIS CB C 58 30.770 29.600 1.170 1
1 735 . 13 1 1 A 80 80 HIS N N 58 112.239 114.868 -2.629 1
1 736 . 13 1 1 A 81 81 LEU H H 59 6.281 6.652 -0.371 1
1 737 . 13 1 1 A 81 81 LEU HA H 59 4.157 4.910 -0.753 1
1 747 . 13 1 1 A 81 81 LEU C C 59 178.501 176.287 2.214 1
1 748 . 13 1 1 A 81 81 LEU CA C 59 53.970 52.814 1.156 1
1 749 . 13 1 1 A 81 81 LEU CB C 59 43.360 44.956 -1.596 1
1 753 . 13 1 1 A 81 81 LEU N N 59 120.531 116.349 4.182 1
1 754 . 13 1 1 A 82 82 GLN H H 60 8.863 8.810 0.053 1
1 755 . 13 1 1 A 82 82 GLN HA H 60 4.891 4.445 0.446 1
1 762 . 13 1 1 A 82 82 GLN C C 60 180.417 177.717 2.700 1
1 763 . 13 1 1 A 82 82 GLN CA C 60 54.880 55.650 -0.770 1
1 764 . 13 1 1 A 82 82 GLN CB C 60 31.480 29.648 1.832 1
1 766 . 13 1 1 A 82 82 GLN N N 60 118.014 119.570 -1.556 1
1 768 . 13 1 1 A 83 83 LEU H H 61 8.688 8.665 0.023 1
1 769 . 13 1 1 A 83 83 LEU HA H 61 3.705 3.964 -0.259 1
1 779 . 13 1 1 A 83 83 LEU C C 61 181.775 178.713 3.062 1
1 780 . 13 1 1 A 83 83 LEU CA C 61 58.510 58.050 0.460 1
1 781 . 13 1 1 A 83 83 LEU CB C 61 40.330 41.398 -1.068 1
1 785 . 13 1 1 A 83 83 LEU N N 61 121.910 124.164 -2.254 1
1 786 . 13 1 1 A 84 84 LYS H H 62 8.525 8.335 0.190 1
1 787 . 13 1 1 A 84 84 LYS HA H 62 3.972 4.038 -0.066 1
1 796 . 13 1 1 A 84 84 LYS C C 62 177.865 178.235 -0.370 1
1 797 . 13 1 1 A 84 84 LYS CA C 62 57.690 59.098 -1.408 1
1 798 . 13 1 1 A 84 84 LYS CB C 62 31.440 31.868 -0.428 1
1 802 . 13 1 1 A 84 84 LYS N N 62 115.896 117.525 -1.629 1
1 803 . 13 1 1 A 85 85 ASP H H 63 7.598 7.922 -0.324 1
1 804 . 13 1 1 A 85 85 ASP HA H 63 4.710 4.333 0.377 1
1 807 . 13 1 1 A 85 85 ASP C C 63 177.307 177.552 -0.245 1
1 808 . 13 1 1 A 85 85 ASP CA C 63 55.460 57.602 -2.142 1
1 809 . 13 1 1 A 85 85 ASP CB C 63 42.000 41.453 0.547 1
1 810 . 13 1 1 A 85 85 ASP N N 63 118.917 119.562 -0.645 1
1 811 . 13 1 1 A 86 86 ILE H H 64 7.417 7.450 -0.033 1
1 812 . 13 1 1 A 86 86 ILE HA H 64 4.027 4.000 0.027 1
1 822 . 13 1 1 A 86 86 ILE C C 64 177.055 176.855 0.200 1
1 823 . 13 1 1 A 86 86 ILE CA C 64 62.150 62.107 0.043 1
1 824 . 13 1 1 A 86 86 ILE CB C 64 42.670 38.888 3.782 1
1 828 . 13 1 1 A 86 86 ILE N N 64 117.599 116.931 0.668 1
1 829 . 13 1 1 A 87 87 LEU H H 65 7.399 7.268 0.131 1
1 830 . 13 1 1 A 87 87 LEU HA H 65 3.695 3.967 -0.272 1
1 840 . 13 1 1 A 87 87 LEU C C 65 179.409 177.545 1.864 1
1 841 . 13 1 1 A 87 87 LEU CA C 65 55.040 54.502 0.538 1
1 842 . 13 1 1 A 87 87 LEU CB C 65 40.910 42.279 -1.369 1
1 846 . 13 1 1 A 87 87 LEU N N 65 116.948 119.394 -2.446 1
1 847 . 13 1 1 A 88 88 ARG H H 66 7.954 8.279 -0.325 1
1 848 . 13 1 1 A 88 88 ARG HA H 66 4.227 4.093 0.134 1
1 855 . 13 1 1 A 88 88 ARG C C 66 179.333 178.017 1.316 1
1 856 . 13 1 1 A 88 88 ARG CA C 66 56.960 58.118 -1.158 1
1 857 . 13 1 1 A 88 88 ARG CB C 66 30.570 29.217 1.353 1
1 860 . 13 1 1 A 88 88 ARG N N 66 122.752 120.253 2.499 1
1 861 . 13 1 1 A 89 89 LYS H H 67 8.374 8.005 0.369 1
1 862 . 13 1 1 A 89 89 LYS HA H 67 3.948 4.104 -0.156 1
1 871 . 13 1 1 A 89 89 LYS C C 67 179.278 178.278 1.000 1
1 872 . 13 1 1 A 89 89 LYS CA C 67 58.560 59.606 -1.046 1
1 873 . 13 1 1 A 89 89 LYS CB C 67 32.620 32.412 0.208 1
1 877 . 13 1 1 A 89 89 LYS N N 67 124.661 118.879 5.782 1
1 878 . 13 1 1 A 90 90 GLN H H 68 8.616 7.538 1.078 1
1 879 . 13 1 1 A 90 90 GLN HA H 68 4.169 4.339 -0.170 1
1 886 . 13 1 1 A 90 90 GLN C C 68 177.778 175.901 1.877 1
1 887 . 13 1 1 A 90 90 GLN CA C 68 56.670 57.086 -0.416 1
1 888 . 13 1 1 A 90 90 GLN CB C 68 28.230 29.594 -1.364 1
1 890 . 13 1 1 A 90 90 GLN N N 68 115.896 116.243 -0.347 1
1 892 . 13 1 1 A 91 91 ASP H H 69 7.319 8.028 -0.709 1
1 893 . 13 1 1 A 91 91 ASP HA H 69 4.523 4.313 0.210 1
1 896 . 13 1 1 A 91 91 ASP C C 69 177.164 175.918 1.246 1
1 897 . 13 1 1 A 91 91 ASP CA C 69 54.440 55.347 -0.907 1
1 898 . 13 1 1 A 91 91 ASP CB C 69 41.200 40.418 0.782 1
1 899 . 13 1 1 A 91 91 ASP N N 69 121.181 119.362 1.819 1
1 900 . 13 1 1 A 92 92 GLU H H 70 8.320 7.934 0.386 1
1 901 . 13 1 1 A 92 92 GLU HA H 70 3.892 4.675 -0.783 1
1 906 . 13 1 1 A 92 92 GLU C C 70 177.657 175.363 2.294 1
1 907 . 13 1 1 A 92 92 GLU CA C 70 57.260 57.971 -0.711 1
1 908 . 13 1 1 A 92 92 GLU CB C 70 30.750 32.913 -2.163 1
1 910 . 13 1 1 A 92 92 GLU N N 70 120.205 118.716 1.489 1
1 911 . 13 1 1 A 93 93 TYR H H 71 7.251 8.037 -0.786 1
1 912 . 13 1 1 A 93 93 TYR HA H 71 4.550 5.446 -0.896 1
1 919 . 13 1 1 A 93 93 TYR C C 71 175.861 173.714 2.147 1
1 920 . 13 1 1 A 93 93 TYR CA C 71 55.550 56.529 -0.979 1
1 921 . 13 1 1 A 93 93 TYR CB C 71 39.680 41.020 -1.340 1
1 924 . 13 1 1 A 93 93 TYR N N 71 115.349 114.450 0.899 1
1 925 . 13 1 1 A 94 94 HIS H H 72 7.991 8.682 -0.691 1
1 926 . 13 1 1 A 94 94 HIS HA H 72 5.034 4.884 0.150 1
1 930 . 13 1 1 A 94 94 HIS C C 72 176.157 174.137 2.020 1
1 931 . 13 1 1 A 94 94 HIS CA C 72 54.990 54.750 0.240 1
1 932 . 13 1 1 A 94 94 HIS CB C 72 33.910 33.658 0.252 1
1 934 . 13 1 1 A 94 94 HIS N N 72 120.146 117.604 2.542 1
1 935 . 13 1 1 A 95 95 MET H H 73 9.227 9.315 -0.088 1
1 936 . 13 1 1 A 95 95 MET HA H 73 5.306 5.696 -0.390 1
1 941 . 13 1 1 A 95 95 MET C C 73 176.891 175.140 1.751 1
1 942 . 13 1 1 A 95 95 MET CA C 73 54.500 53.476 1.024 1
1 943 . 13 1 1 A 95 95 MET CB C 73 33.690 34.583 -0.893 1
1 945 . 13 1 1 A 95 95 MET N N 73 124.691 119.961 4.730 1
1 946 . 13 1 1 A 96 96 VAL H H 74 9.070 8.983 0.087 1
1 947 . 13 1 1 A 96 96 VAL HA H 74 4.719 4.469 0.250 1
1 955 . 13 1 1 A 96 96 VAL C C 74 175.653 174.876 0.777 1
1 956 . 13 1 1 A 96 96 VAL CA C 74 60.790 60.976 -0.186 1
1 957 . 13 1 1 A 96 96 VAL CB C 74 35.290 35.429 -0.139 1
1 960 . 13 1 1 A 96 96 VAL N N 74 125.298 122.405 2.893 1
1 961 . 13 1 1 A 97 97 HIS H H 75 9.197 9.158 0.039 1
1 962 . 13 1 1 A 97 97 HIS HA H 75 5.213 5.162 0.051 1
1 966 . 13 1 1 A 97 97 HIS C C 75 176.245 174.326 1.919 1
1 967 . 13 1 1 A 97 97 HIS CA C 75 55.800 55.800 0.000 1
1 968 . 13 1 1 A 97 97 HIS CB C 75 32.170 28.746 3.424 1
1 970 . 13 1 1 A 97 97 HIS N N 75 125.299 126.116 -0.817 1
1 971 . 13 1 1 A 98 98 LEU H H 76 8.423 8.834 -0.411 1
1 972 . 13 1 1 A 98 98 LEU HA H 76 5.059 4.511 0.548 1
1 982 . 13 1 1 A 98 98 LEU C C 76 177.592 176.800 0.792 1
1 983 . 13 1 1 A 98 98 LEU CA C 76 54.150 54.726 -0.576 1
1 984 . 13 1 1 A 98 98 LEU CB C 76 43.540 42.138 1.402 1
1 988 . 13 1 1 A 98 98 LEU N N 76 126.291 127.301 -1.010 1
1 13 . 14 1 1 A 24 24 VAL H H 2 8.008 8.137 -0.129 1
1 14 . 14 1 1 A 24 24 VAL HA H 2 4.297 4.102 0.195 1
1 22 . 14 1 1 A 24 24 VAL C C 2 175.571 175.576 -0.005 1
1 23 . 14 1 1 A 24 24 VAL CA C 2 60.030 61.939 -1.909 1
1 24 . 14 1 1 A 24 24 VAL CB C 2 34.710 31.282 3.428 1
1 27 . 14 1 1 A 24 24 VAL N N 2 118.399 121.030 -2.631 1
1 28 . 14 1 1 A 25 25 THR H H 3 8.520 8.808 -0.288 1
1 29 . 14 1 1 A 25 25 THR HA H 3 4.738 4.583 0.155 1
1 34 . 14 1 1 A 25 25 THR C C 3 175.275 173.153 2.122 1
1 35 . 14 1 1 A 25 25 THR CA C 3 62.350 62.775 -0.425 1
1 36 . 14 1 1 A 25 25 THR CB C 3 69.930 68.255 1.675 1
1 38 . 14 1 1 A 25 25 THR N N 3 121.522 122.584 -1.062 1
1 39 . 14 1 1 A 26 26 LEU H H 4 8.929 8.980 -0.051 1
1 40 . 14 1 1 A 26 26 LEU HA H 4 5.102 4.817 0.285 1
1 50 . 14 1 1 A 26 26 LEU C C 4 176.809 174.955 1.854 1
1 51 . 14 1 1 A 26 26 LEU CA C 4 52.850 54.160 -1.310 1
1 52 . 14 1 1 A 26 26 LEU CB C 4 45.140 43.382 1.758 1
1 56 . 14 1 1 A 26 26 LEU N N 4 127.076 128.578 -1.502 1
1 57 . 14 1 1 A 27 27 ILE H H 5 8.990 8.812 0.178 1
1 58 . 14 1 1 A 27 27 ILE HA H 5 4.682 4.602 0.080 1
1 68 . 14 1 1 A 27 27 ILE C C 5 176.962 175.377 1.585 1
1 69 . 14 1 1 A 27 27 ILE CA C 5 59.810 61.215 -1.405 1
1 70 . 14 1 1 A 27 27 ILE CB C 5 38.590 36.839 1.751 1
1 74 . 14 1 1 A 27 27 ILE N N 5 122.974 127.665 -4.691 1
1 75 . 14 1 1 A 28 28 ILE H H 6 9.288 9.005 0.283 1
1 76 . 14 1 1 A 28 28 ILE HA H 6 5.025 4.961 0.064 1
1 86 . 14 1 1 A 28 28 ILE C C 6 178.889 175.327 3.562 1
1 87 . 14 1 1 A 28 28 ILE CA C 6 57.620 60.881 -3.261 1
1 88 . 14 1 1 A 28 28 ILE CB C 6 36.680 37.577 -0.897 1
1 92 . 14 1 1 A 28 28 ILE N N 6 125.520 128.922 -3.402 1
1 93 . 14 1 1 A 29 29 LYS H H 7 8.832 8.801 0.031 1
1 94 . 14 1 1 A 29 29 LYS HA H 7 4.597 4.796 -0.199 1
1 103 . 14 1 1 A 29 29 LYS C C 7 176.414 175.375 1.039 1
1 104 . 14 1 1 A 29 29 LYS CA C 7 54.240 54.995 -0.755 1
1 105 . 14 1 1 A 29 29 LYS CB C 7 34.050 33.683 0.367 1
1 109 . 14 1 1 A 29 29 LYS N N 7 130.704 127.662 3.042 1
1 110 . 14 1 1 A 30 30 ALA H H 8 9.021 8.188 0.833 1
1 111 . 14 1 1 A 30 30 ALA HA H 8 5.221 4.563 0.658 1
1 115 . 14 1 1 A 30 30 ALA CA C 8 49.220 50.242 -1.022 1
1 116 . 14 1 1 A 30 30 ALA CB C 8 20.620 19.795 0.825 1
1 117 . 14 1 1 A 30 30 ALA N N 8 126.869 128.153 -1.284 1
1 118 . 14 1 1 A 31 31 PRO HA H 9 4.445 4.418 0.027 1
1 125 . 14 1 1 A 31 31 PRO CA C 9 63.990 65.102 -1.112 1
1 126 . 14 1 1 A 31 31 PRO CB C 9 31.860 32.169 -0.309 1
1 129 . 14 1 1 A 32 32 ASN HA H 10 4.531 4.595 -0.064 1
1 134 . 14 1 1 A 32 32 ASN C C 10 176.666 175.201 1.465 1
1 135 . 14 1 1 A 32 32 ASN CA C 10 53.210 55.898 -2.688 1
1 136 . 14 1 1 A 32 32 ASN CB C 10 38.150 38.963 -0.813 1
1 138 . 14 1 1 A 33 33 GLN H H 11 8.123 7.797 0.326 1
1 139 . 14 1 1 A 33 33 GLN N N 11 114.038 118.037 -3.999 1
1 140 . 14 1 1 A 34 34 LYS HA H 12 3.817 4.052 -0.235 1
1 149 . 14 1 1 A 34 34 LYS C C 12 178.002 175.678 2.324 1
1 150 . 14 1 1 A 34 34 LYS CA C 12 58.290 58.614 -0.324 1
1 151 . 14 1 1 A 34 34 LYS CB C 12 32.570 32.380 0.190 1
1 155 . 14 1 1 A 35 35 TYR H H 13 6.845 8.162 -1.317 1
1 156 . 14 1 1 A 35 35 TYR HA H 13 4.654 5.249 -0.595 1
1 163 . 14 1 1 A 35 35 TYR CA C 13 56.060 56.449 -0.389 1
1 164 . 14 1 1 A 35 35 TYR CB C 13 41.000 40.914 0.086 1
1 167 . 14 1 1 A 35 35 TYR N N 13 112.988 116.969 -3.981 1
1 168 . 14 1 1 A 36 36 SER HA H 14 4.376 4.577 -0.201 1
1 171 . 14 1 1 A 36 36 SER C C 14 177.170 173.156 4.014 1
1 172 . 14 1 1 A 36 36 SER CA C 14 58.160 57.990 0.170 1
1 173 . 14 1 1 A 36 36 SER CB C 14 64.000 64.474 -0.474 1
1 174 . 14 1 1 A 37 37 ASP H H 15 8.910 8.608 0.302 1
1 175 . 14 1 1 A 37 37 ASP HA H 15 4.622 4.858 -0.236 1
1 178 . 14 1 1 A 37 37 ASP C C 15 178.221 175.908 2.313 1
1 179 . 14 1 1 A 37 37 ASP CA C 15 55.680 54.532 1.148 1
1 180 . 14 1 1 A 37 37 ASP CB C 15 39.640 40.775 -1.135 1
1 181 . 14 1 1 A 37 37 ASP N N 15 125.921 122.660 3.261 1
1 182 . 14 1 1 A 38 38 GLN H H 16 8.224 9.002 -0.778 1
1 183 . 14 1 1 A 38 38 GLN HA H 16 4.653 4.818 -0.165 1
1 190 . 14 1 1 A 38 38 GLN C C 16 176.655 175.339 1.316 1
1 191 . 14 1 1 A 38 38 GLN CA C 16 53.230 54.916 -1.686 1
1 192 . 14 1 1 A 38 38 GLN CB C 16 31.390 30.578 0.812 1
1 194 . 14 1 1 A 38 38 GLN N N 16 121.123 124.091 -2.968 1
1 196 . 14 1 1 A 39 39 THR H H 17 8.733 8.541 0.192 1
1 197 . 14 1 1 A 39 39 THR HA H 17 4.936 4.754 0.182 1
1 202 . 14 1 1 A 39 39 THR C C 17 176.173 173.758 2.415 1
1 203 . 14 1 1 A 39 39 THR CA C 17 62.170 61.383 0.787 1
1 204 . 14 1 1 A 39 39 THR CB C 17 69.300 68.490 0.810 1
1 206 . 14 1 1 A 39 39 THR N N 17 120.324 116.731 3.593 1
1 207 . 14 1 1 A 40 40 ILE H H 18 9.424 8.830 0.594 1
1 208 . 14 1 1 A 40 40 ILE HA H 18 4.592 4.438 0.154 1
1 218 . 14 1 1 A 40 40 ILE C C 18 176.184 175.380 0.804 1
1 219 . 14 1 1 A 40 40 ILE CA C 18 58.200 60.969 -2.769 1
1 220 . 14 1 1 A 40 40 ILE CB C 18 41.130 38.053 3.077 1
1 224 . 14 1 1 A 40 40 ILE N N 18 126.321 128.502 -2.181 1
1 225 . 14 1 1 A 41 41 SER H H 19 8.518 8.588 -0.070 1
1 226 . 14 1 1 A 41 41 SER HA H 19 4.939 4.594 0.345 1
1 229 . 14 1 1 A 41 41 SER C C 19 175.210 174.423 0.787 1
1 230 . 14 1 1 A 41 41 SER CA C 19 57.160 58.326 -1.166 1
1 231 . 14 1 1 A 41 41 SER CB C 19 63.660 63.554 0.106 1
1 232 . 14 1 1 A 41 41 SER N N 19 120.959 122.523 -1.564 1
1 233 . 14 1 1 A 42 42 CYS H H 20 8.444 8.697 -0.253 1
1 234 . 14 1 1 A 42 42 CYS HA H 20 3.546 5.442 -1.896 1
1 237 . 14 1 1 A 42 42 CYS CA C 20 55.410 57.830 -2.420 1
1 238 . 14 1 1 A 42 42 CYS CB C 20 28.570 33.599 -5.029 1
1 239 . 14 1 1 A 42 42 CYS N N 20 120.248 122.509 -2.261 1
1 240 . 14 1 1 A 43 43 PHE HA H 21 4.580 4.813 -0.233 1
1 248 . 14 1 1 A 43 43 PHE C C 21 177.980 175.670 2.310 1
1 249 . 14 1 1 A 43 43 PHE CA C 21 56.490 56.140 0.350 1
1 250 . 14 1 1 A 43 43 PHE CB C 21 42.360 42.602 -0.242 1
1 254 . 14 1 1 A 44 44 LEU H H 22 9.159 8.947 0.212 1
1 255 . 14 1 1 A 44 44 LEU HA H 22 3.779 4.093 -0.314 1
1 265 . 14 1 1 A 44 44 LEU C C 22 178.177 178.673 -0.496 1
1 266 . 14 1 1 A 44 44 LEU CA C 22 56.980 56.829 0.151 1
1 267 . 14 1 1 A 44 44 LEU CB C 22 42.090 41.462 0.628 1
1 271 . 14 1 1 A 44 44 LEU N N 22 120.130 125.408 -5.278 1
1 272 . 14 1 1 A 45 45 ASN H H 23 8.058 8.155 -0.097 1
1 273 . 14 1 1 A 45 45 ASN HA H 23 4.650 4.258 0.392 1
1 276 . 14 1 1 A 45 45 ASN C C 23 178.364 175.668 2.696 1
1 277 . 14 1 1 A 45 45 ASN CA C 23 52.880 56.258 -3.378 1
1 278 . 14 1 1 A 45 45 ASN CB C 23 37.320 39.158 -1.838 1
1 279 . 14 1 1 A 45 45 ASN N N 23 112.017 117.121 -5.104 1
1 280 . 14 1 1 A 46 46 TRP H H 24 7.857 7.560 0.297 1
1 281 . 14 1 1 A 46 46 TRP HA H 24 4.712 4.819 -0.107 1
1 290 . 14 1 1 A 46 46 TRP C C 24 178.802 176.287 2.515 1
1 291 . 14 1 1 A 46 46 TRP CA C 24 57.240 57.402 -0.162 1
1 292 . 14 1 1 A 46 46 TRP CB C 24 29.250 31.055 -1.805 1
1 298 . 14 1 1 A 46 46 TRP N N 24 121.301 117.942 3.359 1
1 300 . 14 1 1 A 47 47 THR H H 25 7.473 8.982 -1.509 1
1 301 . 14 1 1 A 47 47 THR HA H 25 5.097 4.679 0.418 1
1 306 . 14 1 1 A 47 47 THR C C 25 178.375 176.395 1.980 1
1 307 . 14 1 1 A 47 47 THR CA C 25 59.940 60.553 -0.613 1
1 308 . 14 1 1 A 47 47 THR CB C 25 71.080 71.403 -0.323 1
1 310 . 14 1 1 A 47 47 THR N N 25 109.055 114.108 -5.053 1
1 311 . 14 1 1 A 48 48 VAL H H 26 8.349 8.435 -0.086 1
1 312 . 14 1 1 A 48 48 VAL HA H 26 3.433 3.520 -0.087 1
1 320 . 14 1 1 A 48 48 VAL C C 26 180.548 178.408 2.140 1
1 321 . 14 1 1 A 48 48 VAL CA C 26 66.460 66.432 0.028 1
1 322 . 14 1 1 A 48 48 VAL CB C 26 31.540 31.385 0.155 1
1 325 . 14 1 1 A 48 48 VAL N N 26 123.048 122.048 1.000 1
1 326 . 14 1 1 A 49 49 GLY H H 27 9.099 8.448 0.651 1
1 327 . 14 1 1 A 49 49 GLY HA2 H 27 3.895 3.665 0.230 1
1 328 . 14 1 1 A 49 49 GLY HA3 H 27 3.512 3.671 -0.159 1
1 329 . 14 1 1 A 49 49 GLY C C 27 177.909 175.817 2.092 1
1 330 . 14 1 1 A 49 49 GLY CA C 27 47.100 47.227 -0.127 1
1 331 . 14 1 1 A 49 49 GLY N N 27 107.086 107.508 -0.422 1
1 332 . 14 1 1 A 50 50 LYS H H 28 7.937 7.909 0.028 1
1 333 . 14 1 1 A 50 50 LYS HA H 28 3.907 3.902 0.005 1
1 342 . 14 1 1 A 50 50 LYS C C 28 180.866 179.198 1.668 1
1 343 . 14 1 1 A 50 50 LYS CA C 28 59.000 59.353 -0.353 1
1 344 . 14 1 1 A 50 50 LYS CB C 28 31.730 32.436 -0.706 1
1 348 . 14 1 1 A 50 50 LYS N N 28 125.227 122.016 3.211 1
1 349 . 14 1 1 A 51 51 LEU H H 29 8.364 8.087 0.277 1
1 350 . 14 1 1 A 51 51 LEU HA H 29 4.357 4.178 0.179 1
1 360 . 14 1 1 A 51 51 LEU C C 29 180.056 178.281 1.775 1
1 361 . 14 1 1 A 51 51 LEU CA C 29 58.360 57.384 0.976 1
1 362 . 14 1 1 A 51 51 LEU CB C 29 41.510 41.628 -0.118 1
1 366 . 14 1 1 A 51 51 LEU N N 29 122.366 120.690 1.676 1
1 367 . 14 1 1 A 52 52 LYS H H 30 8.711 8.264 0.447 1
1 368 . 14 1 1 A 52 52 LYS HA H 30 4.542 3.891 0.651 1
1 377 . 14 1 1 A 52 52 LYS C C 30 182.257 178.855 3.402 1
1 378 . 14 1 1 A 52 52 LYS CA C 30 59.310 60.048 -0.738 1
1 379 . 14 1 1 A 52 52 LYS CB C 30 33.380 32.088 1.292 1
1 383 . 14 1 1 A 52 52 LYS N N 30 119.050 120.201 -1.151 1
1 384 . 14 1 1 A 53 53 THR H H 31 8.130 7.808 0.322 1
1 385 . 14 1 1 A 53 53 THR HA H 31 3.655 3.958 -0.303 1
1 390 . 14 1 1 A 53 53 THR C C 31 179.092 176.215 2.877 1
1 391 . 14 1 1 A 53 53 THR CA C 31 66.890 66.864 0.026 1
1 392 . 14 1 1 A 53 53 THR CB C 31 68.370 68.292 0.078 1
1 394 . 14 1 1 A 53 53 THR N N 31 118.206 116.582 1.624 1
1 395 . 14 1 1 A 54 54 HIS H H 32 8.310 7.774 0.536 1
1 396 . 14 1 1 A 54 54 HIS HA H 32 4.566 4.151 0.415 1
1 400 . 14 1 1 A 54 54 HIS C C 32 180.735 176.910 3.825 1
1 401 . 14 1 1 A 54 54 HIS CA C 32 60.010 60.114 -0.104 1
1 402 . 14 1 1 A 54 54 HIS CB C 32 31.620 29.233 2.387 1
1 404 . 14 1 1 A 54 54 HIS N N 32 124.425 122.508 1.917 1
1 405 . 14 1 1 A 55 55 LEU H H 33 9.036 8.218 0.818 1
1 406 . 14 1 1 A 55 55 LEU HA H 33 3.958 3.793 0.165 1
1 416 . 14 1 1 A 55 55 LEU C C 33 180.877 179.134 1.743 1
1 417 . 14 1 1 A 55 55 LEU CA C 33 58.180 57.656 0.524 1
1 418 . 14 1 1 A 55 55 LEU CB C 33 40.710 41.660 -0.950 1
1 422 . 14 1 1 A 55 55 LEU N N 33 119.746 120.475 -0.729 1
1 423 . 14 1 1 A 56 56 SER H H 34 8.266 7.773 0.493 1
1 424 . 14 1 1 A 56 56 SER HA H 34 4.159 4.046 0.113 1
1 427 . 14 1 1 A 56 56 SER C C 34 176.015 175.979 0.036 1
1 428 . 14 1 1 A 56 56 SER CA C 34 61.590 62.122 -0.532 1
1 429 . 14 1 1 A 56 56 SER CB C 34 63.600 62.871 0.729 1
1 430 . 14 1 1 A 56 56 SER N N 34 114.534 113.992 0.542 1
1 431 . 14 1 1 A 57 57 ASN H H 35 7.273 7.444 -0.171 1
1 432 . 14 1 1 A 57 57 ASN HA H 35 4.799 4.600 0.199 1
1 437 . 14 1 1 A 57 57 ASN C C 35 179.004 177.913 1.091 1
1 438 . 14 1 1 A 57 57 ASN CA C 35 54.520 55.573 -1.053 1
1 439 . 14 1 1 A 57 57 ASN CB C 35 40.890 38.813 2.077 1
1 440 . 14 1 1 A 57 57 ASN N N 35 115.349 120.078 -4.729 1
1 442 . 14 1 1 A 58 58 VAL H H 36 7.810 7.471 0.339 1
1 443 . 14 1 1 A 58 58 VAL HA H 36 4.309 4.032 0.277 1
1 451 . 14 1 1 A 58 58 VAL C C 36 178.446 175.818 2.628 1
1 452 . 14 1 1 A 58 58 VAL CA C 36 62.350 64.457 -2.107 1
1 453 . 14 1 1 A 58 58 VAL CB C 36 32.980 31.402 1.578 1
1 456 . 14 1 1 A 58 58 VAL N N 36 110.874 114.007 -3.133 1
1 457 . 14 1 1 A 59 59 TYR H H 37 8.896 7.807 1.089 1
1 458 . 14 1 1 A 59 59 TYR HA H 37 4.482 4.665 -0.183 1
1 465 . 14 1 1 A 59 59 TYR CA C 37 57.740 56.850 0.890 1
1 466 . 14 1 1 A 59 59 TYR CB C 37 40.440 39.657 0.783 1
1 469 . 14 1 1 A 59 59 TYR N N 37 127.773 124.634 3.139 1
1 470 . 14 1 1 A 60 60 PRO HA H 38 3.956 4.243 -0.287 1
1 477 . 14 1 1 A 60 60 PRO C C 38 178.511 177.722 0.789 1
1 478 . 14 1 1 A 60 60 PRO CA C 38 65.560 64.998 0.562 1
1 479 . 14 1 1 A 60 60 PRO CB C 38 31.860 31.823 0.037 1
1 482 . 14 1 1 A 61 61 SER H H 39 6.571 7.816 -1.245 1
1 483 . 14 1 1 A 61 61 SER HA H 39 4.238 4.332 -0.094 1
1 486 . 14 1 1 A 61 61 SER C C 39 175.774 174.103 1.671 1
1 487 . 14 1 1 A 61 61 SER CA C 39 58.290 61.197 -2.907 1
1 488 . 14 1 1 A 61 61 SER CB C 39 63.420 62.854 0.566 1
1 489 . 14 1 1 A 61 61 SER N N 39 108.382 111.951 -3.569 1
1 490 . 14 1 1 A 62 62 LYS H H 40 8.384 7.771 0.613 1
1 491 . 14 1 1 A 62 62 LYS HA H 40 3.922 4.129 -0.207 1
1 500 . 14 1 1 A 62 62 LYS CA C 40 56.710 56.567 0.143 1
1 501 . 14 1 1 A 62 62 LYS CB C 40 30.640 30.741 -0.101 1
1 505 . 14 1 1 A 62 62 LYS N N 40 118.443 119.128 -0.685 1
1 506 . 14 1 1 A 63 63 PRO HA H 41 4.284 4.506 -0.222 1
1 513 . 14 1 1 A 63 63 PRO C C 41 179.464 176.192 3.272 1
1 514 . 14 1 1 A 63 63 PRO CA C 41 62.620 62.441 0.179 1
1 515 . 14 1 1 A 63 63 PRO CB C 41 31.640 33.220 -1.580 1
1 518 . 14 1 1 A 64 64 LEU H H 42 8.689 8.412 0.277 1
1 519 . 14 1 1 A 64 64 LEU HA H 42 4.212 4.271 -0.059 1
1 529 . 14 1 1 A 64 64 LEU C C 42 182.476 177.230 5.246 1
1 530 . 14 1 1 A 64 64 LEU CA C 42 54.750 54.649 0.101 1
1 531 . 14 1 1 A 64 64 LEU CB C 42 41.360 41.129 0.231 1
1 535 . 14 1 1 A 64 64 LEU N N 42 122.677 121.841 0.836 1
1 536 . 14 1 1 A 65 65 THR H H 43 8.858 8.712 0.146 1
1 537 . 14 1 1 A 65 65 THR HA H 43 3.779 3.839 -0.060 1
1 542 . 14 1 1 A 65 65 THR C C 43 180.078 176.104 3.974 1
1 543 . 14 1 1 A 65 65 THR CA C 43 66.310 66.762 -0.452 1
1 544 . 14 1 1 A 65 65 THR CB C 43 68.100 68.843 -0.743 1
1 546 . 14 1 1 A 65 65 THR N N 43 116.000 117.440 -1.440 1
1 547 . 14 1 1 A 66 66 LYS H H 44 7.921 8.440 -0.519 1
1 548 . 14 1 1 A 66 66 LYS HA H 44 4.125 4.132 -0.007 1
1 557 . 14 1 1 A 66 66 LYS C C 44 177.953 177.871 0.082 1
1 558 . 14 1 1 A 66 66 LYS CA C 44 57.730 58.413 -0.683 1
1 559 . 14 1 1 A 66 66 LYS CB C 44 31.890 31.151 0.739 1
1 563 . 14 1 1 A 66 66 LYS N N 44 117.614 119.769 -2.155 1
1 564 . 14 1 1 A 67 67 ASP H H 45 7.394 7.906 -0.512 1
1 565 . 14 1 1 A 67 67 ASP HA H 45 4.746 4.769 -0.023 1
1 568 . 14 1 1 A 67 67 ASP C C 45 177.876 175.797 2.079 1
1 569 . 14 1 1 A 67 67 ASP CA C 45 54.350 55.538 -1.188 1
1 570 . 14 1 1 A 67 67 ASP CB C 45 42.090 42.375 -0.285 1
1 571 . 14 1 1 A 67 67 ASP N N 45 118.443 119.539 -1.096 1
1 572 . 14 1 1 A 68 68 GLN H H 46 7.143 7.656 -0.513 1
1 573 . 14 1 1 A 68 68 GLN HA H 46 4.054 4.345 -0.291 1
1 578 . 14 1 1 A 68 68 GLN C C 46 177.515 175.552 1.963 1
1 579 . 14 1 1 A 68 68 GLN CA C 46 56.750 55.973 0.777 1
1 580 . 14 1 1 A 68 68 GLN CB C 46 31.150 28.976 2.174 1
1 582 . 14 1 1 A 68 68 GLN N N 46 120.205 115.169 5.036 1
1 583 . 14 1 1 A 69 69 ARG H H 47 8.269 8.673 -0.404 1
1 584 . 14 1 1 A 69 69 ARG HA H 47 4.334 5.081 -0.747 1
1 591 . 14 1 1 A 69 69 ARG C C 47 175.708 174.878 0.830 1
1 592 . 14 1 1 A 69 69 ARG CA C 47 55.010 54.287 0.723 1
1 593 . 14 1 1 A 69 69 ARG CB C 47 31.390 34.071 -2.681 1
1 596 . 14 1 1 A 69 69 ARG N N 47 124.781 123.679 1.102 1
1 597 . 14 1 1 A 70 70 LEU H H 48 8.254 8.995 -0.741 1
1 598 . 14 1 1 A 70 70 LEU HA H 48 5.444 5.102 0.342 1
1 608 . 14 1 1 A 70 70 LEU C C 48 177.175 175.451 1.724 1
1 609 . 14 1 1 A 70 70 LEU CA C 48 52.810 53.498 -0.688 1
1 610 . 14 1 1 A 70 70 LEU CB C 48 45.100 43.170 1.930 1
1 614 . 14 1 1 A 70 70 LEU N N 48 122.071 122.188 -0.117 1
1 615 . 14 1 1 A 71 71 VAL H H 49 9.251 8.992 0.259 1
1 616 . 14 1 1 A 71 71 VAL HA H 49 4.889 4.888 0.001 1
1 624 . 14 1 1 A 71 71 VAL C C 49 177.208 173.960 3.248 1
1 625 . 14 1 1 A 71 71 VAL CA C 49 60.570 61.210 -0.640 1
1 626 . 14 1 1 A 71 71 VAL CB C 49 34.580 33.038 1.542 1
1 629 . 14 1 1 A 71 71 VAL N N 49 122.797 125.708 -2.911 1
1 630 . 14 1 1 A 72 72 TYR H H 50 8.684 8.976 -0.292 1
1 631 . 14 1 1 A 72 72 TYR HA H 50 5.155 4.991 0.164 1
1 638 . 14 1 1 A 72 72 TYR CA C 50 56.060 57.255 -1.195 1
1 639 . 14 1 1 A 72 72 TYR CB C 50 43.140 40.344 2.796 1
1 642 . 14 1 1 A 72 72 TYR N N 50 126.349 129.331 -2.982 1
1 643 . 14 1 1 A 73 73 SER HA H 51 3.673 4.063 -0.390 1
1 646 . 14 1 1 A 73 73 SER C C 51 177.153 174.312 2.841 1
1 647 . 14 1 1 A 73 73 SER CA C 51 58.000 59.151 -1.151 1
1 648 . 14 1 1 A 73 73 SER CB C 51 62.190 61.491 0.699 1
1 649 . 14 1 1 A 74 74 GLY H H 52 8.209 8.321 -0.112 1
1 650 . 14 1 1 A 74 74 GLY HA2 H 52 4.030 4.007 0.023 1
1 651 . 14 1 1 A 74 74 GLY HA3 H 52 3.346 4.030 -0.684 1
1 652 . 14 1 1 A 74 74 GLY C C 52 175.259 174.394 0.865 1
1 653 . 14 1 1 A 74 74 GLY CA C 52 44.990 45.184 -0.194 1
1 654 . 14 1 1 A 74 74 GLY N N 52 103.501 105.975 -2.474 1
1 655 . 14 1 1 A 75 75 ARG H H 53 7.816 7.579 0.237 1
1 656 . 14 1 1 A 75 75 ARG HA H 53 4.555 4.489 0.066 1
1 663 . 14 1 1 A 75 75 ARG C C 53 176.321 175.062 1.259 1
1 664 . 14 1 1 A 75 75 ARG CA C 53 54.590 55.646 -1.056 1
1 665 . 14 1 1 A 75 75 ARG CB C 53 32.620 31.609 1.011 1
1 668 . 14 1 1 A 75 75 ARG N N 53 121.834 119.743 2.091 1
1 669 . 14 1 1 A 76 76 LEU H H 54 8.470 8.518 -0.048 1
1 670 . 14 1 1 A 76 76 LEU HA H 54 4.500 4.804 -0.304 1
1 680 . 14 1 1 A 76 76 LEU C C 54 179.639 174.868 4.771 1
1 681 . 14 1 1 A 76 76 LEU CA C 54 55.260 53.806 1.454 1
1 682 . 14 1 1 A 76 76 LEU CB C 54 42.210 44.227 -2.017 1
1 686 . 14 1 1 A 76 76 LEU N N 54 127.239 124.441 2.798 1
1 687 . 14 1 1 A 77 77 LEU H H 55 8.863 9.019 -0.156 1
1 688 . 14 1 1 A 77 77 LEU HA H 55 4.605 4.837 -0.232 1
1 698 . 14 1 1 A 77 77 LEU CA C 55 52.230 51.543 0.687 1
1 699 . 14 1 1 A 77 77 LEU CB C 55 43.090 42.148 0.942 1
1 703 . 14 1 1 A 77 77 LEU N N 55 127.741 128.538 -0.797 1
1 704 . 14 1 1 A 78 78 PRO HA H 56 4.708 4.708 0.000 1
1 711 . 14 1 1 A 78 78 PRO C C 56 179.519 176.647 2.872 1
1 712 . 14 1 1 A 78 78 PRO CA C 56 61.780 61.776 0.004 1
1 713 . 14 1 1 A 78 78 PRO CB C 56 32.600 32.687 -0.087 1
1 716 . 14 1 1 A 79 79 ASP H H 57 8.109 8.683 -0.574 1
1 717 . 14 1 1 A 79 79 ASP HA H 57 4.122 4.239 -0.117 1
1 720 . 14 1 1 A 79 79 ASP C C 57 179.782 177.641 2.141 1
1 721 . 14 1 1 A 79 79 ASP CA C 57 57.380 55.897 1.483 1
1 722 . 14 1 1 A 79 79 ASP CB C 57 41.200 40.124 1.076 1
1 723 . 14 1 1 A 79 79 ASP N N 57 116.504 121.322 -4.818 1
1 724 . 14 1 1 A 80 80 HIS H H 58 7.815 7.747 0.068 1
1 725 . 14 1 1 A 80 80 HIS HA H 58 4.519 4.436 0.083 1
1 730 . 14 1 1 A 80 80 HIS C C 58 177.668 174.524 3.144 1
1 731 . 14 1 1 A 80 80 HIS CA C 58 57.110 57.221 -0.111 1
1 732 . 14 1 1 A 80 80 HIS CB C 58 30.770 29.183 1.587 1
1 735 . 14 1 1 A 80 80 HIS N N 58 112.239 115.139 -2.900 1
1 736 . 14 1 1 A 81 81 LEU H H 59 6.281 7.255 -0.974 1
1 737 . 14 1 1 A 81 81 LEU HA H 59 4.157 4.990 -0.833 1
1 747 . 14 1 1 A 81 81 LEU C C 59 178.501 175.910 2.591 1
1 748 . 14 1 1 A 81 81 LEU CA C 59 53.970 52.831 1.139 1
1 749 . 14 1 1 A 81 81 LEU CB C 59 43.360 45.495 -2.135 1
1 753 . 14 1 1 A 81 81 LEU N N 59 120.531 116.326 4.205 1
1 754 . 14 1 1 A 82 82 GLN H H 60 8.863 8.763 0.100 1
1 755 . 14 1 1 A 82 82 GLN HA H 60 4.891 4.355 0.536 1
1 762 . 14 1 1 A 82 82 GLN C C 60 180.417 177.684 2.733 1
1 763 . 14 1 1 A 82 82 GLN CA C 60 54.880 56.143 -1.263 1
1 764 . 14 1 1 A 82 82 GLN CB C 60 31.480 29.310 2.170 1
1 766 . 14 1 1 A 82 82 GLN N N 60 118.014 119.789 -1.775 1
1 768 . 14 1 1 A 83 83 LEU H H 61 8.688 8.797 -0.109 1
1 769 . 14 1 1 A 83 83 LEU HA H 61 3.705 3.821 -0.116 1
1 779 . 14 1 1 A 83 83 LEU C C 61 181.775 178.592 3.183 1
1 780 . 14 1 1 A 83 83 LEU CA C 61 58.510 58.031 0.479 1
1 781 . 14 1 1 A 83 83 LEU CB C 61 40.330 41.271 -0.941 1
1 785 . 14 1 1 A 83 83 LEU N N 61 121.910 124.081 -2.171 1
1 786 . 14 1 1 A 84 84 LYS H H 62 8.525 7.838 0.687 1
1 787 . 14 1 1 A 84 84 LYS HA H 62 3.972 4.017 -0.045 1
1 796 . 14 1 1 A 84 84 LYS C C 62 177.865 178.108 -0.243 1
1 797 . 14 1 1 A 84 84 LYS CA C 62 57.690 59.082 -1.392 1
1 798 . 14 1 1 A 84 84 LYS CB C 62 31.440 32.170 -0.730 1
1 802 . 14 1 1 A 84 84 LYS N N 62 115.896 117.625 -1.729 1
1 803 . 14 1 1 A 85 85 ASP H H 63 7.598 7.894 -0.296 1
1 804 . 14 1 1 A 85 85 ASP HA H 63 4.710 4.339 0.371 1
1 807 . 14 1 1 A 85 85 ASP C C 63 177.307 177.435 -0.128 1
1 808 . 14 1 1 A 85 85 ASP CA C 63 55.460 57.280 -1.820 1
1 809 . 14 1 1 A 85 85 ASP CB C 63 42.000 41.382 0.618 1
1 810 . 14 1 1 A 85 85 ASP N N 63 118.917 119.202 -0.285 1
1 811 . 14 1 1 A 86 86 ILE H H 64 7.417 7.369 0.048 1
1 812 . 14 1 1 A 86 86 ILE HA H 64 4.027 3.982 0.045 1
1 822 . 14 1 1 A 86 86 ILE C C 64 177.055 177.053 0.002 1
1 823 . 14 1 1 A 86 86 ILE CA C 64 62.150 63.527 -1.377 1
1 824 . 14 1 1 A 86 86 ILE CB C 64 42.670 39.022 3.648 1
1 828 . 14 1 1 A 86 86 ILE N N 64 117.599 117.118 0.481 1
1 829 . 14 1 1 A 87 87 LEU H H 65 7.399 7.506 -0.107 1
1 830 . 14 1 1 A 87 87 LEU HA H 65 3.695 4.059 -0.364 1
1 840 . 14 1 1 A 87 87 LEU C C 65 179.409 177.158 2.251 1
1 841 . 14 1 1 A 87 87 LEU CA C 65 55.040 54.166 0.874 1
1 842 . 14 1 1 A 87 87 LEU CB C 65 40.910 40.900 0.010 1
1 846 . 14 1 1 A 87 87 LEU N N 65 116.948 119.706 -2.758 1
1 847 . 14 1 1 A 88 88 ARG H H 66 7.954 7.473 0.481 1
1 848 . 14 1 1 A 88 88 ARG HA H 66 4.227 4.046 0.181 1
1 855 . 14 1 1 A 88 88 ARG C C 66 179.333 178.815 0.518 1
1 856 . 14 1 1 A 88 88 ARG CA C 66 56.960 58.896 -1.936 1
1 857 . 14 1 1 A 88 88 ARG CB C 66 30.570 29.744 0.826 1
1 860 . 14 1 1 A 88 88 ARG N N 66 122.752 121.265 1.487 1
1 861 . 14 1 1 A 89 89 LYS H H 67 8.374 7.875 0.499 1
1 862 . 14 1 1 A 89 89 LYS HA H 67 3.948 4.142 -0.194 1
1 871 . 14 1 1 A 89 89 LYS C C 67 179.278 179.050 0.228 1
1 872 . 14 1 1 A 89 89 LYS CA C 67 58.560 59.497 -0.937 1
1 873 . 14 1 1 A 89 89 LYS CB C 67 32.620 32.475 0.145 1
1 877 . 14 1 1 A 89 89 LYS N N 67 124.661 119.509 5.152 1
1 878 . 14 1 1 A 90 90 GLN H H 68 8.616 8.085 0.531 1
1 879 . 14 1 1 A 90 90 GLN HA H 68 4.169 4.111 0.058 1
1 886 . 14 1 1 A 90 90 GLN C C 68 177.778 175.969 1.809 1
1 887 . 14 1 1 A 90 90 GLN CA C 68 56.670 56.508 0.162 1
1 888 . 14 1 1 A 90 90 GLN CB C 68 28.230 28.742 -0.512 1
1 890 . 14 1 1 A 90 90 GLN N N 68 115.896 119.016 -3.120 1
1 892 . 14 1 1 A 91 91 ASP H H 69 7.319 7.963 -0.644 1
1 893 . 14 1 1 A 91 91 ASP HA H 69 4.523 5.034 -0.511 1
1 896 . 14 1 1 A 91 91 ASP C C 69 177.164 176.603 0.561 1
1 897 . 14 1 1 A 91 91 ASP CA C 69 54.440 56.265 -1.825 1
1 898 . 14 1 1 A 91 91 ASP CB C 69 41.200 40.479 0.721 1
1 899 . 14 1 1 A 91 91 ASP N N 69 121.181 119.064 2.117 1
1 900 . 14 1 1 A 92 92 GLU H H 70 8.320 8.196 0.124 1
1 901 . 14 1 1 A 92 92 GLU HA H 70 3.892 4.153 -0.261 1
1 906 . 14 1 1 A 92 92 GLU C C 70 177.657 175.652 2.005 1
1 907 . 14 1 1 A 92 92 GLU CA C 70 57.260 58.744 -1.484 1
1 908 . 14 1 1 A 92 92 GLU CB C 70 30.750 30.142 0.608 1
1 910 . 14 1 1 A 92 92 GLU N N 70 120.205 119.160 1.045 1
1 911 . 14 1 1 A 93 93 TYR H H 71 7.251 7.704 -0.453 1
1 912 . 14 1 1 A 93 93 TYR HA H 71 4.550 5.123 -0.573 1
1 919 . 14 1 1 A 93 93 TYR C C 71 175.861 175.022 0.839 1
1 920 . 14 1 1 A 93 93 TYR CA C 71 55.550 56.745 -1.195 1
1 921 . 14 1 1 A 93 93 TYR CB C 71 39.680 39.790 -0.110 1
1 924 . 14 1 1 A 93 93 TYR N N 71 115.349 116.132 -0.783 1
1 925 . 14 1 1 A 94 94 HIS H H 72 7.991 8.867 -0.876 1
1 926 . 14 1 1 A 94 94 HIS HA H 72 5.034 5.207 -0.173 1
1 930 . 14 1 1 A 94 94 HIS C C 72 176.157 174.015 2.142 1
1 931 . 14 1 1 A 94 94 HIS CA C 72 54.990 54.486 0.504 1
1 932 . 14 1 1 A 94 94 HIS CB C 72 33.910 33.213 0.697 1
1 934 . 14 1 1 A 94 94 HIS N N 72 120.146 119.953 0.193 1
1 935 . 14 1 1 A 95 95 MET H H 73 9.227 9.267 -0.040 1
1 936 . 14 1 1 A 95 95 MET HA H 73 5.306 5.249 0.057 1
1 941 . 14 1 1 A 95 95 MET C C 73 176.891 175.469 1.422 1
1 942 . 14 1 1 A 95 95 MET CA C 73 54.500 54.211 0.289 1
1 943 . 14 1 1 A 95 95 MET CB C 73 33.690 33.105 0.585 1
1 945 . 14 1 1 A 95 95 MET N N 73 124.691 122.403 2.288 1
1 946 . 14 1 1 A 96 96 VAL H H 74 9.070 9.154 -0.084 1
1 947 . 14 1 1 A 96 96 VAL HA H 74 4.719 5.036 -0.317 1
1 955 . 14 1 1 A 96 96 VAL C C 74 175.653 174.922 0.731 1
1 956 . 14 1 1 A 96 96 VAL CA C 74 60.790 61.483 -0.693 1
1 957 . 14 1 1 A 96 96 VAL CB C 74 35.290 34.528 0.762 1
1 960 . 14 1 1 A 96 96 VAL N N 74 125.298 125.287 0.011 1
1 961 . 14 1 1 A 97 97 HIS H H 75 9.197 9.082 0.115 1
1 962 . 14 1 1 A 97 97 HIS HA H 75 5.213 5.763 -0.550 1
1 966 . 14 1 1 A 97 97 HIS C C 75 176.245 174.644 1.601 1
1 967 . 14 1 1 A 97 97 HIS CA C 75 55.800 54.613 1.187 1
1 968 . 14 1 1 A 97 97 HIS CB C 75 32.170 31.823 0.347 1
1 970 . 14 1 1 A 97 97 HIS N N 75 125.299 125.619 -0.320 1
1 971 . 14 1 1 A 98 98 LEU H H 76 8.423 8.668 -0.245 1
1 972 . 14 1 1 A 98 98 LEU HA H 76 5.059 4.804 0.255 1
1 982 . 14 1 1 A 98 98 LEU C C 76 177.592 176.110 1.482 1
1 983 . 14 1 1 A 98 98 LEU CA C 76 54.150 54.071 0.079 1
1 984 . 14 1 1 A 98 98 LEU CB C 76 43.540 41.048 2.492 1
1 988 . 14 1 1 A 98 98 LEU N N 76 126.291 125.441 0.850 1
1 13 . 15 1 1 A 24 24 VAL H H 2 8.008 8.371 -0.363 1
1 14 . 15 1 1 A 24 24 VAL HA H 2 4.297 4.609 -0.312 1
1 22 . 15 1 1 A 24 24 VAL C C 2 175.571 175.048 0.523 1
1 23 . 15 1 1 A 24 24 VAL CA C 2 60.030 60.781 -0.751 1
1 24 . 15 1 1 A 24 24 VAL CB C 2 34.710 33.797 0.913 1
1 27 . 15 1 1 A 24 24 VAL N N 2 118.399 119.530 -1.131 1
1 28 . 15 1 1 A 25 25 THR H H 3 8.520 8.842 -0.322 1
1 29 . 15 1 1 A 25 25 THR HA H 3 4.738 4.875 -0.137 1
1 34 . 15 1 1 A 25 25 THR C C 3 175.275 173.152 2.123 1
1 35 . 15 1 1 A 25 25 THR CA C 3 62.350 62.569 -0.219 1
1 36 . 15 1 1 A 25 25 THR CB C 3 69.930 68.349 1.581 1
1 38 . 15 1 1 A 25 25 THR N N 3 121.522 122.957 -1.435 1
1 39 . 15 1 1 A 26 26 LEU H H 4 8.929 9.120 -0.191 1
1 40 . 15 1 1 A 26 26 LEU HA H 4 5.102 4.874 0.228 1
1 50 . 15 1 1 A 26 26 LEU C C 4 176.809 174.926 1.883 1
1 51 . 15 1 1 A 26 26 LEU CA C 4 52.850 54.264 -1.414 1
1 52 . 15 1 1 A 26 26 LEU CB C 4 45.140 43.493 1.647 1
1 56 . 15 1 1 A 26 26 LEU N N 4 127.076 129.155 -2.079 1
1 57 . 15 1 1 A 27 27 ILE H H 5 8.990 8.827 0.163 1
1 58 . 15 1 1 A 27 27 ILE HA H 5 4.682 4.522 0.160 1
1 68 . 15 1 1 A 27 27 ILE C C 5 176.962 175.534 1.428 1
1 69 . 15 1 1 A 27 27 ILE CA C 5 59.810 61.104 -1.294 1
1 70 . 15 1 1 A 27 27 ILE CB C 5 38.590 37.056 1.534 1
1 74 . 15 1 1 A 27 27 ILE N N 5 122.974 128.126 -5.152 1
1 75 . 15 1 1 A 28 28 ILE H H 6 9.288 8.849 0.439 1
1 76 . 15 1 1 A 28 28 ILE HA H 6 5.025 4.583 0.442 1
1 86 . 15 1 1 A 28 28 ILE C C 6 178.889 175.664 3.225 1
1 87 . 15 1 1 A 28 28 ILE CA C 6 57.620 61.377 -3.757 1
1 88 . 15 1 1 A 28 28 ILE CB C 6 36.680 37.963 -1.283 1
1 92 . 15 1 1 A 28 28 ILE N N 6 125.520 129.411 -3.891 1
1 93 . 15 1 1 A 29 29 LYS H H 7 8.832 8.769 0.063 1
1 94 . 15 1 1 A 29 29 LYS HA H 7 4.597 4.902 -0.305 1
1 103 . 15 1 1 A 29 29 LYS C C 7 176.414 176.148 0.266 1
1 104 . 15 1 1 A 29 29 LYS CA C 7 54.240 55.473 -1.233 1
1 105 . 15 1 1 A 29 29 LYS CB C 7 34.050 33.309 0.741 1
1 109 . 15 1 1 A 29 29 LYS N N 7 130.704 127.756 2.948 1
1 110 . 15 1 1 A 30 30 ALA H H 8 9.021 8.711 0.310 1
1 111 . 15 1 1 A 30 30 ALA HA H 8 5.221 4.559 0.662 1
1 115 . 15 1 1 A 30 30 ALA CA C 8 49.220 50.941 -1.721 1
1 116 . 15 1 1 A 30 30 ALA CB C 8 20.620 18.163 2.457 1
1 117 . 15 1 1 A 30 30 ALA N N 8 126.869 129.027 -2.158 1
1 118 . 15 1 1 A 31 31 PRO HA H 9 4.445 4.332 0.113 1
1 125 . 15 1 1 A 31 31 PRO CA C 9 63.990 65.641 -1.651 1
1 126 . 15 1 1 A 31 31 PRO CB C 9 31.860 31.924 -0.064 1
1 129 . 15 1 1 A 32 32 ASN HA H 10 4.531 4.987 -0.456 1
1 134 . 15 1 1 A 32 32 ASN C C 10 176.666 176.107 0.559 1
1 135 . 15 1 1 A 32 32 ASN CA C 10 53.210 53.937 -0.727 1
1 136 . 15 1 1 A 32 32 ASN CB C 10 38.150 40.013 -1.863 1
1 138 . 15 1 1 A 33 33 GLN H H 11 8.123 7.846 0.277 1
1 139 . 15 1 1 A 33 33 GLN N N 11 114.038 115.416 -1.378 1
1 140 . 15 1 1 A 34 34 LYS HA H 12 3.817 4.137 -0.320 1
1 149 . 15 1 1 A 34 34 LYS C C 12 178.002 176.457 1.545 1
1 150 . 15 1 1 A 34 34 LYS CA C 12 58.290 58.008 0.282 1
1 151 . 15 1 1 A 34 34 LYS CB C 12 32.570 33.082 -0.512 1
1 155 . 15 1 1 A 35 35 TYR H H 13 6.845 7.821 -0.976 1
1 156 . 15 1 1 A 35 35 TYR HA H 13 4.654 5.098 -0.444 1
1 163 . 15 1 1 A 35 35 TYR CA C 13 56.060 56.401 -0.341 1
1 164 . 15 1 1 A 35 35 TYR CB C 13 41.000 42.380 -1.380 1
1 167 . 15 1 1 A 35 35 TYR N N 13 112.988 116.261 -3.273 1
1 168 . 15 1 1 A 36 36 SER HA H 14 4.376 4.605 -0.229 1
1 171 . 15 1 1 A 36 36 SER C C 14 177.170 174.350 2.820 1
1 172 . 15 1 1 A 36 36 SER CA C 14 58.160 58.347 -0.187 1
1 173 . 15 1 1 A 36 36 SER CB C 14 64.000 64.509 -0.509 1
1 174 . 15 1 1 A 37 37 ASP H H 15 8.910 8.654 0.256 1
1 175 . 15 1 1 A 37 37 ASP HA H 15 4.622 4.745 -0.123 1
1 178 . 15 1 1 A 37 37 ASP C C 15 178.221 175.357 2.864 1
1 179 . 15 1 1 A 37 37 ASP CA C 15 55.680 53.965 1.715 1
1 180 . 15 1 1 A 37 37 ASP CB C 15 39.640 39.292 0.348 1
1 181 . 15 1 1 A 37 37 ASP N N 15 125.921 122.961 2.960 1
1 182 . 15 1 1 A 38 38 GLN H H 16 8.224 8.540 -0.316 1
1 183 . 15 1 1 A 38 38 GLN HA H 16 4.653 4.708 -0.055 1
1 190 . 15 1 1 A 38 38 GLN C C 16 176.655 175.550 1.105 1
1 191 . 15 1 1 A 38 38 GLN CA C 16 53.230 55.809 -2.579 1
1 192 . 15 1 1 A 38 38 GLN CB C 16 31.390 29.374 2.016 1
1 194 . 15 1 1 A 38 38 GLN N N 16 121.123 123.331 -2.208 1
1 196 . 15 1 1 A 39 39 THR H H 17 8.733 8.540 0.193 1
1 197 . 15 1 1 A 39 39 THR HA H 17 4.936 4.809 0.127 1
1 202 . 15 1 1 A 39 39 THR C C 17 176.173 173.749 2.424 1
1 203 . 15 1 1 A 39 39 THR CA C 17 62.170 61.124 1.046 1
1 204 . 15 1 1 A 39 39 THR CB C 17 69.300 68.752 0.548 1
1 206 . 15 1 1 A 39 39 THR N N 17 120.324 116.251 4.073 1
1 207 . 15 1 1 A 40 40 ILE H H 18 9.424 8.891 0.533 1
1 208 . 15 1 1 A 40 40 ILE HA H 18 4.592 4.698 -0.106 1
1 218 . 15 1 1 A 40 40 ILE C C 18 176.184 175.607 0.577 1
1 219 . 15 1 1 A 40 40 ILE CA C 18 58.200 60.390 -2.190 1
1 220 . 15 1 1 A 40 40 ILE CB C 18 41.130 38.292 2.838 1
1 224 . 15 1 1 A 40 40 ILE N N 18 126.321 128.521 -2.200 1
1 225 . 15 1 1 A 41 41 SER H H 19 8.518 8.704 -0.186 1
1 226 . 15 1 1 A 41 41 SER HA H 19 4.939 4.758 0.181 1
1 229 . 15 1 1 A 41 41 SER C C 19 175.210 174.692 0.518 1
1 230 . 15 1 1 A 41 41 SER CA C 19 57.160 58.969 -1.809 1
1 231 . 15 1 1 A 41 41 SER CB C 19 63.660 63.547 0.113 1
1 232 . 15 1 1 A 41 41 SER N N 19 120.959 123.141 -2.182 1
1 233 . 15 1 1 A 42 42 CYS H H 20 8.444 8.883 -0.439 1
1 234 . 15 1 1 A 42 42 CYS HA H 20 3.546 5.364 -1.818 1
1 237 . 15 1 1 A 42 42 CYS CA C 20 55.410 56.610 -1.200 1
1 238 . 15 1 1 A 42 42 CYS CB C 20 28.570 32.267 -3.697 1
1 239 . 15 1 1 A 42 42 CYS N N 20 120.248 121.851 -1.603 1
1 240 . 15 1 1 A 43 43 PHE HA H 21 4.580 5.048 -0.468 1
1 248 . 15 1 1 A 43 43 PHE C C 21 177.980 174.832 3.148 1
1 249 . 15 1 1 A 43 43 PHE CA C 21 56.490 56.772 -0.282 1
1 250 . 15 1 1 A 43 43 PHE CB C 21 42.360 42.703 -0.343 1
1 254 . 15 1 1 A 44 44 LEU H H 22 9.159 7.919 1.240 1
1 255 . 15 1 1 A 44 44 LEU HA H 22 3.779 4.025 -0.246 1
1 265 . 15 1 1 A 44 44 LEU C C 22 178.177 178.253 -0.076 1
1 266 . 15 1 1 A 44 44 LEU CA C 22 56.980 55.638 1.342 1
1 267 . 15 1 1 A 44 44 LEU CB C 22 42.090 40.986 1.104 1
1 271 . 15 1 1 A 44 44 LEU N N 22 120.130 125.878 -5.748 1
1 272 . 15 1 1 A 45 45 ASN H H 23 8.058 7.868 0.190 1
1 273 . 15 1 1 A 45 45 ASN HA H 23 4.650 4.289 0.361 1
1 276 . 15 1 1 A 45 45 ASN C C 23 178.364 175.797 2.567 1
1 277 . 15 1 1 A 45 45 ASN CA C 23 52.880 56.425 -3.545 1
1 278 . 15 1 1 A 45 45 ASN CB C 23 37.320 39.220 -1.900 1
1 279 . 15 1 1 A 45 45 ASN N N 23 112.017 117.334 -5.317 1
1 280 . 15 1 1 A 46 46 TRP H H 24 7.857 7.309 0.548 1
1 281 . 15 1 1 A 46 46 TRP HA H 24 4.712 4.769 -0.057 1
1 290 . 15 1 1 A 46 46 TRP C C 24 178.802 176.300 2.502 1
1 291 . 15 1 1 A 46 46 TRP CA C 24 57.240 57.512 -0.272 1
1 292 . 15 1 1 A 46 46 TRP CB C 24 29.250 30.320 -1.070 1
1 298 . 15 1 1 A 46 46 TRP N N 24 121.301 118.055 3.246 1
1 300 . 15 1 1 A 47 47 THR H H 25 7.473 9.037 -1.564 1
1 301 . 15 1 1 A 47 47 THR HA H 25 5.097 4.704 0.393 1
1 306 . 15 1 1 A 47 47 THR C C 25 178.375 176.374 2.001 1
1 307 . 15 1 1 A 47 47 THR CA C 25 59.940 60.808 -0.868 1
1 308 . 15 1 1 A 47 47 THR CB C 25 71.080 71.193 -0.113 1
1 310 . 15 1 1 A 47 47 THR N N 25 109.055 114.346 -5.291 1
1 311 . 15 1 1 A 48 48 VAL H H 26 8.349 8.713 -0.364 1
1 312 . 15 1 1 A 48 48 VAL HA H 26 3.433 3.498 -0.065 1
1 320 . 15 1 1 A 48 48 VAL C C 26 180.548 178.250 2.298 1
1 321 . 15 1 1 A 48 48 VAL CA C 26 66.460 66.510 -0.050 1
1 322 . 15 1 1 A 48 48 VAL CB C 26 31.540 31.509 0.031 1
1 325 . 15 1 1 A 48 48 VAL N N 26 123.048 122.350 0.698 1
1 326 . 15 1 1 A 49 49 GLY H H 27 9.099 7.935 1.164 1
1 327 . 15 1 1 A 49 49 GLY HA2 H 27 3.895 3.779 0.116 1
1 328 . 15 1 1 A 49 49 GLY HA3 H 27 3.512 3.786 -0.274 1
1 329 . 15 1 1 A 49 49 GLY C C 27 177.909 175.686 2.223 1
1 330 . 15 1 1 A 49 49 GLY CA C 27 47.100 47.172 -0.072 1
1 331 . 15 1 1 A 49 49 GLY N N 27 107.086 107.222 -0.136 1
1 332 . 15 1 1 A 50 50 LYS H H 28 7.937 7.774 0.163 1
1 333 . 15 1 1 A 50 50 LYS HA H 28 3.907 3.967 -0.060 1
1 342 . 15 1 1 A 50 50 LYS C C 28 180.866 179.225 1.641 1
1 343 . 15 1 1 A 50 50 LYS CA C 28 59.000 59.334 -0.334 1
1 344 . 15 1 1 A 50 50 LYS CB C 28 31.730 32.260 -0.530 1
1 348 . 15 1 1 A 50 50 LYS N N 28 125.227 122.168 3.059 1
1 349 . 15 1 1 A 51 51 LEU H H 29 8.364 7.932 0.432 1
1 350 . 15 1 1 A 51 51 LEU HA H 29 4.357 4.184 0.173 1
1 360 . 15 1 1 A 51 51 LEU C C 29 180.056 178.414 1.642 1
1 361 . 15 1 1 A 51 51 LEU CA C 29 58.360 57.636 0.724 1
1 362 . 15 1 1 A 51 51 LEU CB C 29 41.510 41.430 0.080 1
1 366 . 15 1 1 A 51 51 LEU N N 29 122.366 121.850 0.516 1
1 367 . 15 1 1 A 52 52 LYS H H 30 8.711 8.153 0.558 1
1 368 . 15 1 1 A 52 52 LYS HA H 30 4.542 4.104 0.438 1
1 377 . 15 1 1 A 52 52 LYS C C 30 182.257 179.452 2.805 1
1 378 . 15 1 1 A 52 52 LYS CA C 30 59.310 59.200 0.110 1
1 379 . 15 1 1 A 52 52 LYS CB C 30 33.380 31.939 1.441 1
1 383 . 15 1 1 A 52 52 LYS N N 30 119.050 119.540 -0.490 1
1 384 . 15 1 1 A 53 53 THR H H 31 8.130 8.057 0.073 1
1 385 . 15 1 1 A 53 53 THR HA H 31 3.655 3.946 -0.291 1
1 390 . 15 1 1 A 53 53 THR C C 31 179.092 175.957 3.135 1
1 391 . 15 1 1 A 53 53 THR CA C 31 66.890 66.891 -0.001 1
1 392 . 15 1 1 A 53 53 THR CB C 31 68.370 68.361 0.009 1
1 394 . 15 1 1 A 53 53 THR N N 31 118.206 116.672 1.534 1
1 395 . 15 1 1 A 54 54 HIS H H 32 8.310 7.726 0.584 1
1 396 . 15 1 1 A 54 54 HIS HA H 32 4.566 4.138 0.428 1
1 400 . 15 1 1 A 54 54 HIS C C 32 180.735 177.355 3.380 1
1 401 . 15 1 1 A 54 54 HIS CA C 32 60.010 60.142 -0.132 1
1 402 . 15 1 1 A 54 54 HIS CB C 32 31.620 29.322 2.298 1
1 404 . 15 1 1 A 54 54 HIS N N 32 124.425 121.893 2.532 1
1 405 . 15 1 1 A 55 55 LEU H H 33 9.036 8.179 0.857 1
1 406 . 15 1 1 A 55 55 LEU HA H 33 3.958 3.838 0.120 1
1 416 . 15 1 1 A 55 55 LEU C C 33 180.877 178.972 1.905 1
1 417 . 15 1 1 A 55 55 LEU CA C 33 58.180 57.761 0.419 1
1 418 . 15 1 1 A 55 55 LEU CB C 33 40.710 41.808 -1.098 1
1 422 . 15 1 1 A 55 55 LEU N N 33 119.746 120.571 -0.825 1
1 423 . 15 1 1 A 56 56 SER H H 34 8.266 7.948 0.318 1
1 424 . 15 1 1 A 56 56 SER HA H 34 4.159 4.081 0.078 1
1 427 . 15 1 1 A 56 56 SER C C 34 176.015 176.994 -0.979 1
1 428 . 15 1 1 A 56 56 SER CA C 34 61.590 61.354 0.236 1
1 429 . 15 1 1 A 56 56 SER CB C 34 63.600 63.075 0.525 1
1 430 . 15 1 1 A 56 56 SER N N 34 114.534 113.804 0.730 1
1 431 . 15 1 1 A 57 57 ASN H H 35 7.273 7.600 -0.327 1
1 432 . 15 1 1 A 57 57 ASN HA H 35 4.799 4.564 0.235 1
1 437 . 15 1 1 A 57 57 ASN C C 35 179.004 177.449 1.555 1
1 438 . 15 1 1 A 57 57 ASN CA C 35 54.520 56.162 -1.642 1
1 439 . 15 1 1 A 57 57 ASN CB C 35 40.890 38.843 2.047 1
1 440 . 15 1 1 A 57 57 ASN N N 35 115.349 119.645 -4.296 1
1 442 . 15 1 1 A 58 58 VAL H H 36 7.810 6.943 0.867 1
1 443 . 15 1 1 A 58 58 VAL HA H 36 4.309 4.087 0.222 1
1 451 . 15 1 1 A 58 58 VAL C C 36 178.446 175.768 2.678 1
1 452 . 15 1 1 A 58 58 VAL CA C 36 62.350 63.606 -1.256 1
1 453 . 15 1 1 A 58 58 VAL CB C 36 32.980 31.701 1.279 1
1 456 . 15 1 1 A 58 58 VAL N N 36 110.874 113.128 -2.254 1
1 457 . 15 1 1 A 59 59 TYR H H 37 8.896 7.783 1.113 1
1 458 . 15 1 1 A 59 59 TYR HA H 37 4.482 4.629 -0.147 1
1 465 . 15 1 1 A 59 59 TYR CA C 37 57.740 56.631 1.109 1
1 466 . 15 1 1 A 59 59 TYR CB C 37 40.440 39.253 1.187 1
1 469 . 15 1 1 A 59 59 TYR N N 37 127.773 124.610 3.163 1
1 470 . 15 1 1 A 60 60 PRO HA H 38 3.956 4.254 -0.298 1
1 477 . 15 1 1 A 60 60 PRO C C 38 178.511 177.575 0.936 1
1 478 . 15 1 1 A 60 60 PRO CA C 38 65.560 64.817 0.743 1
1 479 . 15 1 1 A 60 60 PRO CB C 38 31.860 31.713 0.147 1
1 482 . 15 1 1 A 61 61 SER H H 39 6.571 7.717 -1.146 1
1 483 . 15 1 1 A 61 61 SER HA H 39 4.238 4.444 -0.206 1
1 486 . 15 1 1 A 61 61 SER C C 39 175.774 174.144 1.630 1
1 487 . 15 1 1 A 61 61 SER CA C 39 58.290 60.038 -1.748 1
1 488 . 15 1 1 A 61 61 SER CB C 39 63.420 63.867 -0.447 1
1 489 . 15 1 1 A 61 61 SER N N 39 108.382 111.966 -3.584 1
1 490 . 15 1 1 A 62 62 LYS H H 40 8.384 7.919 0.465 1
1 491 . 15 1 1 A 62 62 LYS HA H 40 3.922 3.969 -0.047 1
1 500 . 15 1 1 A 62 62 LYS CA C 40 56.710 56.729 -0.019 1
1 501 . 15 1 1 A 62 62 LYS CB C 40 30.640 30.553 0.087 1
1 505 . 15 1 1 A 62 62 LYS N N 40 118.443 118.986 -0.543 1
1 506 . 15 1 1 A 63 63 PRO HA H 41 4.284 4.756 -0.472 1
1 513 . 15 1 1 A 63 63 PRO C C 41 179.464 176.557 2.907 1
1 514 . 15 1 1 A 63 63 PRO CA C 41 62.620 62.440 0.180 1
1 515 . 15 1 1 A 63 63 PRO CB C 41 31.640 32.426 -0.786 1
1 518 . 15 1 1 A 64 64 LEU H H 42 8.689 8.424 0.265 1
1 519 . 15 1 1 A 64 64 LEU HA H 42 4.212 4.307 -0.095 1
1 529 . 15 1 1 A 64 64 LEU C C 42 182.476 179.088 3.388 1
1 530 . 15 1 1 A 64 64 LEU CA C 42 54.750 54.744 0.006 1
1 531 . 15 1 1 A 64 64 LEU CB C 42 41.360 41.307 0.053 1
1 535 . 15 1 1 A 64 64 LEU N N 42 122.677 122.466 0.211 1
1 536 . 15 1 1 A 65 65 THR H H 43 8.858 8.758 0.100 1
1 537 . 15 1 1 A 65 65 THR HA H 43 3.779 3.859 -0.080 1
1 542 . 15 1 1 A 65 65 THR C C 43 180.078 175.629 4.449 1
1 543 . 15 1 1 A 65 65 THR CA C 43 66.310 65.945 0.365 1
1 544 . 15 1 1 A 65 65 THR CB C 43 68.100 68.378 -0.278 1
1 546 . 15 1 1 A 65 65 THR N N 43 116.000 118.663 -2.663 1
1 547 . 15 1 1 A 66 66 LYS H H 44 7.921 8.518 -0.597 1
1 548 . 15 1 1 A 66 66 LYS HA H 44 4.125 4.091 0.034 1
1 557 . 15 1 1 A 66 66 LYS C C 44 177.953 177.173 0.780 1
1 558 . 15 1 1 A 66 66 LYS CA C 44 57.730 58.594 -0.864 1
1 559 . 15 1 1 A 66 66 LYS CB C 44 31.890 31.791 0.099 1
1 563 . 15 1 1 A 66 66 LYS N N 44 117.614 120.095 -2.481 1
1 564 . 15 1 1 A 67 67 ASP H H 45 7.394 7.555 -0.161 1
1 565 . 15 1 1 A 67 67 ASP HA H 45 4.746 4.770 -0.024 1
1 568 . 15 1 1 A 67 67 ASP C C 45 177.876 174.554 3.322 1
1 569 . 15 1 1 A 67 67 ASP CA C 45 54.350 54.225 0.125 1
1 570 . 15 1 1 A 67 67 ASP CB C 45 42.090 41.375 0.715 1
1 571 . 15 1 1 A 67 67 ASP N N 45 118.443 117.941 0.502 1
1 572 . 15 1 1 A 68 68 GLN H H 46 7.143 7.564 -0.421 1
1 573 . 15 1 1 A 68 68 GLN HA H 46 4.054 4.821 -0.767 1
1 578 . 15 1 1 A 68 68 GLN C C 46 177.515 174.373 3.142 1
1 579 . 15 1 1 A 68 68 GLN CA C 46 56.750 54.638 2.112 1
1 580 . 15 1 1 A 68 68 GLN CB C 46 31.150 31.341 -0.191 1
1 582 . 15 1 1 A 68 68 GLN N N 46 120.205 117.380 2.825 1
1 583 . 15 1 1 A 69 69 ARG H H 47 8.269 8.891 -0.622 1
1 584 . 15 1 1 A 69 69 ARG HA H 47 4.334 4.940 -0.606 1
1 591 . 15 1 1 A 69 69 ARG C C 47 175.708 174.673 1.035 1
1 592 . 15 1 1 A 69 69 ARG CA C 47 55.010 54.353 0.657 1
1 593 . 15 1 1 A 69 69 ARG CB C 47 31.390 33.636 -2.246 1
1 596 . 15 1 1 A 69 69 ARG N N 47 124.781 123.653 1.128 1
1 597 . 15 1 1 A 70 70 LEU H H 48 8.254 8.660 -0.406 1
1 598 . 15 1 1 A 70 70 LEU HA H 48 5.444 5.200 0.244 1
1 608 . 15 1 1 A 70 70 LEU C C 48 177.175 176.080 1.095 1
1 609 . 15 1 1 A 70 70 LEU CA C 48 52.810 53.605 -0.795 1
1 610 . 15 1 1 A 70 70 LEU CB C 48 45.100 43.559 1.541 1
1 614 . 15 1 1 A 70 70 LEU N N 48 122.071 123.478 -1.407 1
1 615 . 15 1 1 A 71 71 VAL H H 49 9.251 8.790 0.461 1
1 616 . 15 1 1 A 71 71 VAL HA H 49 4.889 5.085 -0.196 1
1 624 . 15 1 1 A 71 71 VAL C C 49 177.208 174.194 3.014 1
1 625 . 15 1 1 A 71 71 VAL CA C 49 60.570 61.053 -0.483 1
1 626 . 15 1 1 A 71 71 VAL CB C 49 34.580 34.758 -0.178 1
1 629 . 15 1 1 A 71 71 VAL N N 49 122.797 122.999 -0.202 1
1 630 . 15 1 1 A 72 72 TYR H H 50 8.684 8.942 -0.258 1
1 631 . 15 1 1 A 72 72 TYR HA H 50 5.155 4.968 0.187 1
1 638 . 15 1 1 A 72 72 TYR CA C 50 56.060 57.134 -1.074 1
1 639 . 15 1 1 A 72 72 TYR CB C 50 43.140 38.995 4.145 1
1 642 . 15 1 1 A 72 72 TYR N N 50 126.349 129.259 -2.910 1
1 643 . 15 1 1 A 73 73 SER HA H 51 3.673 4.128 -0.455 1
1 646 . 15 1 1 A 73 73 SER C C 51 177.153 174.460 2.693 1
1 647 . 15 1 1 A 73 73 SER CA C 51 58.000 59.783 -1.783 1
1 648 . 15 1 1 A 73 73 SER CB C 51 62.190 61.568 0.622 1
1 649 . 15 1 1 A 74 74 GLY H H 52 8.209 8.417 -0.208 1
1 650 . 15 1 1 A 74 74 GLY HA2 H 52 4.030 4.034 -0.004 1
1 651 . 15 1 1 A 74 74 GLY HA3 H 52 3.346 4.038 -0.692 1
1 652 . 15 1 1 A 74 74 GLY C C 52 175.259 174.608 0.651 1
1 653 . 15 1 1 A 74 74 GLY CA C 52 44.990 45.394 -0.404 1
1 654 . 15 1 1 A 74 74 GLY N N 52 103.501 106.958 -3.457 1
1 655 . 15 1 1 A 75 75 ARG H H 53 7.816 7.603 0.213 1
1 656 . 15 1 1 A 75 75 ARG HA H 53 4.555 4.424 0.131 1
1 663 . 15 1 1 A 75 75 ARG C C 53 176.321 175.428 0.893 1
1 664 . 15 1 1 A 75 75 ARG CA C 53 54.590 55.922 -1.332 1
1 665 . 15 1 1 A 75 75 ARG CB C 53 32.620 31.539 1.081 1
1 668 . 15 1 1 A 75 75 ARG N N 53 121.834 119.887 1.947 1
1 669 . 15 1 1 A 76 76 LEU H H 54 8.470 8.458 0.012 1
1 670 . 15 1 1 A 76 76 LEU HA H 54 4.500 4.730 -0.230 1
1 680 . 15 1 1 A 76 76 LEU C C 54 179.639 174.612 5.027 1
1 681 . 15 1 1 A 76 76 LEU CA C 54 55.260 54.639 0.621 1
1 682 . 15 1 1 A 76 76 LEU CB C 54 42.210 44.053 -1.843 1
1 686 . 15 1 1 A 76 76 LEU N N 54 127.239 123.856 3.383 1
1 687 . 15 1 1 A 77 77 LEU H H 55 8.863 9.018 -0.155 1
1 688 . 15 1 1 A 77 77 LEU HA H 55 4.605 4.860 -0.255 1
1 698 . 15 1 1 A 77 77 LEU CA C 55 52.230 51.504 0.726 1
1 699 . 15 1 1 A 77 77 LEU CB C 55 43.090 43.039 0.051 1
1 703 . 15 1 1 A 77 77 LEU N N 55 127.741 127.560 0.181 1
1 704 . 15 1 1 A 78 78 PRO HA H 56 4.708 4.728 -0.020 1
1 711 . 15 1 1 A 78 78 PRO C C 56 179.519 177.047 2.472 1
1 712 . 15 1 1 A 78 78 PRO CA C 56 61.780 62.684 -0.904 1
1 713 . 15 1 1 A 78 78 PRO CB C 56 32.600 32.906 -0.306 1
1 716 . 15 1 1 A 79 79 ASP H H 57 8.109 8.769 -0.660 1
1 717 . 15 1 1 A 79 79 ASP HA H 57 4.122 4.186 -0.064 1
1 720 . 15 1 1 A 79 79 ASP C C 57 179.782 176.725 3.057 1
1 721 . 15 1 1 A 79 79 ASP CA C 57 57.380 55.905 1.475 1
1 722 . 15 1 1 A 79 79 ASP CB C 57 41.200 39.897 1.303 1
1 723 . 15 1 1 A 79 79 ASP N N 57 116.504 123.664 -7.160 1
1 724 . 15 1 1 A 80 80 HIS H H 58 7.815 7.714 0.101 1
1 725 . 15 1 1 A 80 80 HIS HA H 58 4.519 4.468 0.051 1
1 730 . 15 1 1 A 80 80 HIS C C 58 177.668 175.201 2.467 1
1 731 . 15 1 1 A 80 80 HIS CA C 58 57.110 56.811 0.299 1
1 732 . 15 1 1 A 80 80 HIS CB C 58 30.770 29.872 0.898 1
1 735 . 15 1 1 A 80 80 HIS N N 58 112.239 114.860 -2.621 1
1 736 . 15 1 1 A 81 81 LEU H H 59 6.281 6.620 -0.339 1
1 737 . 15 1 1 A 81 81 LEU HA H 59 4.157 4.677 -0.520 1
1 747 . 15 1 1 A 81 81 LEU C C 59 178.501 176.470 2.031 1
1 748 . 15 1 1 A 81 81 LEU CA C 59 53.970 52.659 1.311 1
1 749 . 15 1 1 A 81 81 LEU CB C 59 43.360 44.398 -1.038 1
1 753 . 15 1 1 A 81 81 LEU N N 59 120.531 116.892 3.639 1
1 754 . 15 1 1 A 82 82 GLN H H 60 8.863 8.797 0.066 1
1 755 . 15 1 1 A 82 82 GLN HA H 60 4.891 4.425 0.466 1
1 762 . 15 1 1 A 82 82 GLN C C 60 180.417 177.499 2.918 1
1 763 . 15 1 1 A 82 82 GLN CA C 60 54.880 54.996 -0.116 1
1 764 . 15 1 1 A 82 82 GLN CB C 60 31.480 29.636 1.844 1
1 766 . 15 1 1 A 82 82 GLN N N 60 118.014 119.668 -1.654 1
1 768 . 15 1 1 A 83 83 LEU H H 61 8.688 8.624 0.064 1
1 769 . 15 1 1 A 83 83 LEU HA H 61 3.705 3.796 -0.091 1
1 779 . 15 1 1 A 83 83 LEU C C 61 181.775 178.583 3.192 1
1 780 . 15 1 1 A 83 83 LEU CA C 61 58.510 57.811 0.699 1
1 781 . 15 1 1 A 83 83 LEU CB C 61 40.330 41.333 -1.003 1
1 785 . 15 1 1 A 83 83 LEU N N 61 121.910 124.205 -2.295 1
1 786 . 15 1 1 A 84 84 LYS H H 62 8.525 7.763 0.762 1
1 787 . 15 1 1 A 84 84 LYS HA H 62 3.972 3.926 0.046 1
1 796 . 15 1 1 A 84 84 LYS C C 62 177.865 178.146 -0.281 1
1 797 . 15 1 1 A 84 84 LYS CA C 62 57.690 59.011 -1.321 1
1 798 . 15 1 1 A 84 84 LYS CB C 62 31.440 32.122 -0.682 1
1 802 . 15 1 1 A 84 84 LYS N N 62 115.896 117.584 -1.688 1
1 803 . 15 1 1 A 85 85 ASP H H 63 7.598 7.737 -0.139 1
1 804 . 15 1 1 A 85 85 ASP HA H 63 4.710 4.350 0.360 1
1 807 . 15 1 1 A 85 85 ASP C C 63 177.307 177.359 -0.052 1
1 808 . 15 1 1 A 85 85 ASP CA C 63 55.460 56.771 -1.311 1
1 809 . 15 1 1 A 85 85 ASP CB C 63 42.000 41.778 0.222 1
1 810 . 15 1 1 A 85 85 ASP N N 63 118.917 119.413 -0.496 1
1 811 . 15 1 1 A 86 86 ILE H H 64 7.417 7.241 0.176 1
1 812 . 15 1 1 A 86 86 ILE HA H 64 4.027 4.031 -0.004 1
1 822 . 15 1 1 A 86 86 ILE C C 64 177.055 176.943 0.112 1
1 823 . 15 1 1 A 86 86 ILE CA C 64 62.150 62.518 -0.368 1
1 824 . 15 1 1 A 86 86 ILE CB C 64 42.670 39.142 3.528 1
1 828 . 15 1 1 A 86 86 ILE N N 64 117.599 116.952 0.647 1
1 829 . 15 1 1 A 87 87 LEU H H 65 7.399 7.445 -0.046 1
1 830 . 15 1 1 A 87 87 LEU HA H 65 3.695 3.904 -0.209 1
1 840 . 15 1 1 A 87 87 LEU C C 65 179.409 177.524 1.885 1
1 841 . 15 1 1 A 87 87 LEU CA C 65 55.040 54.074 0.966 1
1 842 . 15 1 1 A 87 87 LEU CB C 65 40.910 40.874 0.036 1
1 846 . 15 1 1 A 87 87 LEU N N 65 116.948 119.935 -2.987 1
1 847 . 15 1 1 A 88 88 ARG H H 66 7.954 8.147 -0.193 1
1 848 . 15 1 1 A 88 88 ARG HA H 66 4.227 4.074 0.153 1
1 855 . 15 1 1 A 88 88 ARG C C 66 179.333 178.141 1.192 1
1 856 . 15 1 1 A 88 88 ARG CA C 66 56.960 57.986 -1.026 1
1 857 . 15 1 1 A 88 88 ARG CB C 66 30.570 29.214 1.356 1
1 860 . 15 1 1 A 88 88 ARG N N 66 122.752 119.609 3.143 1
1 861 . 15 1 1 A 89 89 LYS H H 67 8.374 7.866 0.508 1
1 862 . 15 1 1 A 89 89 LYS HA H 67 3.948 4.041 -0.093 1
1 871 . 15 1 1 A 89 89 LYS C C 67 179.278 179.066 0.212 1
1 872 . 15 1 1 A 89 89 LYS CA C 67 58.560 59.461 -0.901 1
1 873 . 15 1 1 A 89 89 LYS CB C 67 32.620 32.338 0.282 1
1 877 . 15 1 1 A 89 89 LYS N N 67 124.661 118.988 5.673 1
1 878 . 15 1 1 A 90 90 GLN H H 68 8.616 8.160 0.456 1
1 879 . 15 1 1 A 90 90 GLN HA H 68 4.169 4.093 0.076 1
1 886 . 15 1 1 A 90 90 GLN C C 68 177.778 175.997 1.781 1
1 887 . 15 1 1 A 90 90 GLN CA C 68 56.670 56.469 0.201 1
1 888 . 15 1 1 A 90 90 GLN CB C 68 28.230 28.946 -0.716 1
1 890 . 15 1 1 A 90 90 GLN N N 68 115.896 119.030 -3.134 1
1 892 . 15 1 1 A 91 91 ASP H H 69 7.319 8.332 -1.013 1
1 893 . 15 1 1 A 91 91 ASP HA H 69 4.523 4.890 -0.367 1
1 896 . 15 1 1 A 91 91 ASP C C 69 177.164 176.675 0.489 1
1 897 . 15 1 1 A 91 91 ASP CA C 69 54.440 56.288 -1.848 1
1 898 . 15 1 1 A 91 91 ASP CB C 69 41.200 40.373 0.827 1
1 899 . 15 1 1 A 91 91 ASP N N 69 121.181 118.903 2.278 1
1 900 . 15 1 1 A 92 92 GLU H H 70 8.320 8.186 0.134 1
1 901 . 15 1 1 A 92 92 GLU HA H 70 3.892 4.077 -0.185 1
1 906 . 15 1 1 A 92 92 GLU C C 70 177.657 175.461 2.196 1
1 907 . 15 1 1 A 92 92 GLU CA C 70 57.260 58.827 -1.567 1
1 908 . 15 1 1 A 92 92 GLU CB C 70 30.750 29.878 0.872 1
1 910 . 15 1 1 A 92 92 GLU N N 70 120.205 118.825 1.380 1
1 911 . 15 1 1 A 93 93 TYR H H 71 7.251 7.585 -0.334 1
1 912 . 15 1 1 A 93 93 TYR HA H 71 4.550 5.092 -0.542 1
1 919 . 15 1 1 A 93 93 TYR C C 71 175.861 175.092 0.769 1
1 920 . 15 1 1 A 93 93 TYR CA C 71 55.550 56.627 -1.077 1
1 921 . 15 1 1 A 93 93 TYR CB C 71 39.680 40.030 -0.350 1
1 924 . 15 1 1 A 93 93 TYR N N 71 115.349 116.151 -0.802 1
1 925 . 15 1 1 A 94 94 HIS H H 72 7.991 8.957 -0.966 1
1 926 . 15 1 1 A 94 94 HIS HA H 72 5.034 5.509 -0.475 1
1 930 . 15 1 1 A 94 94 HIS C C 72 176.157 174.215 1.942 1
1 931 . 15 1 1 A 94 94 HIS CA C 72 54.990 54.402 0.588 1
1 932 . 15 1 1 A 94 94 HIS CB C 72 33.910 32.292 1.618 1
1 934 . 15 1 1 A 94 94 HIS N N 72 120.146 119.175 0.971 1
1 935 . 15 1 1 A 95 95 MET H H 73 9.227 9.068 0.159 1
1 936 . 15 1 1 A 95 95 MET HA H 73 5.306 4.957 0.349 1
1 941 . 15 1 1 A 95 95 MET C C 73 176.891 175.579 1.312 1
1 942 . 15 1 1 A 95 95 MET CA C 73 54.500 55.024 -0.524 1
1 943 . 15 1 1 A 95 95 MET CB C 73 33.690 32.286 1.404 1
1 945 . 15 1 1 A 95 95 MET N N 73 124.691 124.686 0.005 1
1 946 . 15 1 1 A 96 96 VAL H H 74 9.070 9.200 -0.130 1
1 947 . 15 1 1 A 96 96 VAL HA H 74 4.719 5.180 -0.461 1
1 955 . 15 1 1 A 96 96 VAL C C 74 175.653 174.629 1.024 1
1 956 . 15 1 1 A 96 96 VAL CA C 74 60.790 60.994 -0.204 1
1 957 . 15 1 1 A 96 96 VAL CB C 74 35.290 34.059 1.231 1
1 960 . 15 1 1 A 96 96 VAL N N 74 125.298 125.511 -0.213 1
1 961 . 15 1 1 A 97 97 HIS H H 75 9.197 9.255 -0.058 1
1 962 . 15 1 1 A 97 97 HIS HA H 75 5.213 5.095 0.118 1
1 966 . 15 1 1 A 97 97 HIS C C 75 176.245 175.261 0.984 1
1 967 . 15 1 1 A 97 97 HIS CA C 75 55.800 55.245 0.555 1
1 968 . 15 1 1 A 97 97 HIS CB C 75 32.170 30.618 1.552 1
1 970 . 15 1 1 A 97 97 HIS N N 75 125.299 127.568 -2.269 1
1 971 . 15 1 1 A 98 98 LEU H H 76 8.423 8.716 -0.293 1
1 972 . 15 1 1 A 98 98 LEU HA H 76 5.059 4.263 0.796 1
1 982 . 15 1 1 A 98 98 LEU C C 76 177.592 175.706 1.886 1
1 983 . 15 1 1 A 98 98 LEU CA C 76 54.150 55.327 -1.177 1
1 984 . 15 1 1 A 98 98 LEU CB C 76 43.540 42.188 1.352 1
1 988 . 15 1 1 A 98 98 LEU N N 76 126.291 127.280 -0.989 1
1 13 . 16 1 1 A 24 24 VAL H H 2 8.008 8.538 -0.530 1
1 14 . 16 1 1 A 24 24 VAL HA H 2 4.297 4.303 -0.006 1
1 22 . 16 1 1 A 24 24 VAL C C 2 175.571 175.500 0.071 1
1 23 . 16 1 1 A 24 24 VAL CA C 2 60.030 61.697 -1.667 1
1 24 . 16 1 1 A 24 24 VAL CB C 2 34.710 32.383 2.327 1
1 27 . 16 1 1 A 24 24 VAL N N 2 118.399 121.349 -2.950 1
1 28 . 16 1 1 A 25 25 THR H H 3 8.520 8.810 -0.290 1
1 29 . 16 1 1 A 25 25 THR HA H 3 4.738 4.772 -0.034 1
1 34 . 16 1 1 A 25 25 THR C C 3 175.275 173.047 2.228 1
1 35 . 16 1 1 A 25 25 THR CA C 3 62.350 62.396 -0.046 1
1 36 . 16 1 1 A 25 25 THR CB C 3 69.930 68.554 1.376 1
1 38 . 16 1 1 A 25 25 THR N N 3 121.522 123.139 -1.617 1
1 39 . 16 1 1 A 26 26 LEU H H 4 8.929 9.104 -0.175 1
1 40 . 16 1 1 A 26 26 LEU HA H 4 5.102 4.950 0.152 1
1 50 . 16 1 1 A 26 26 LEU C C 4 176.809 174.927 1.882 1
1 51 . 16 1 1 A 26 26 LEU CA C 4 52.850 53.933 -1.083 1
1 52 . 16 1 1 A 26 26 LEU CB C 4 45.140 43.845 1.295 1
1 56 . 16 1 1 A 26 26 LEU N N 4 127.076 129.032 -1.956 1
1 57 . 16 1 1 A 27 27 ILE H H 5 8.990 8.805 0.185 1
1 58 . 16 1 1 A 27 27 ILE HA H 5 4.682 4.838 -0.156 1
1 68 . 16 1 1 A 27 27 ILE C C 5 176.962 175.254 1.708 1
1 69 . 16 1 1 A 27 27 ILE CA C 5 59.810 60.929 -1.119 1
1 70 . 16 1 1 A 27 27 ILE CB C 5 38.590 36.892 1.698 1
1 74 . 16 1 1 A 27 27 ILE N N 5 122.974 127.860 -4.886 1
1 75 . 16 1 1 A 28 28 ILE H H 6 9.288 8.929 0.359 1
1 76 . 16 1 1 A 28 28 ILE HA H 6 5.025 4.485 0.540 1
1 86 . 16 1 1 A 28 28 ILE C C 6 178.889 175.399 3.490 1
1 87 . 16 1 1 A 28 28 ILE CA C 6 57.620 60.947 -3.327 1
1 88 . 16 1 1 A 28 28 ILE CB C 6 36.680 36.749 -0.069 1
1 92 . 16 1 1 A 28 28 ILE N N 6 125.520 129.283 -3.763 1
1 93 . 16 1 1 A 29 29 LYS H H 7 8.832 8.569 0.263 1
1 94 . 16 1 1 A 29 29 LYS HA H 7 4.597 4.792 -0.195 1
1 103 . 16 1 1 A 29 29 LYS C C 7 176.414 176.059 0.355 1
1 104 . 16 1 1 A 29 29 LYS CA C 7 54.240 55.383 -1.143 1
1 105 . 16 1 1 A 29 29 LYS CB C 7 34.050 33.152 0.898 1
1 109 . 16 1 1 A 29 29 LYS N N 7 130.704 127.320 3.384 1
1 110 . 16 1 1 A 30 30 ALA H H 8 9.021 8.761 0.260 1
1 111 . 16 1 1 A 30 30 ALA HA H 8 5.221 4.510 0.711 1
1 115 . 16 1 1 A 30 30 ALA CA C 8 49.220 50.950 -1.730 1
1 116 . 16 1 1 A 30 30 ALA CB C 8 20.620 18.101 2.519 1
1 117 . 16 1 1 A 30 30 ALA N N 8 126.869 128.781 -1.912 1
1 118 . 16 1 1 A 31 31 PRO HA H 9 4.445 4.364 0.081 1
1 125 . 16 1 1 A 31 31 PRO CA C 9 63.990 65.459 -1.469 1
1 126 . 16 1 1 A 31 31 PRO CB C 9 31.860 31.803 0.057 1
1 129 . 16 1 1 A 32 32 ASN HA H 10 4.531 4.814 -0.283 1
1 134 . 16 1 1 A 32 32 ASN C C 10 176.666 175.106 1.560 1
1 135 . 16 1 1 A 32 32 ASN CA C 10 53.210 54.586 -1.376 1
1 136 . 16 1 1 A 32 32 ASN CB C 10 38.150 39.109 -0.959 1
1 138 . 16 1 1 A 33 33 GLN H H 11 8.123 8.055 0.068 1
1 139 . 16 1 1 A 33 33 GLN N N 11 114.038 118.107 -4.069 1
1 140 . 16 1 1 A 34 34 LYS HA H 12 3.817 4.196 -0.379 1
1 149 . 16 1 1 A 34 34 LYS C C 12 178.002 176.118 1.884 1
1 150 . 16 1 1 A 34 34 LYS CA C 12 58.290 58.397 -0.107 1
1 151 . 16 1 1 A 34 34 LYS CB C 12 32.570 32.532 0.038 1
1 155 . 16 1 1 A 35 35 TYR H H 13 6.845 8.125 -1.280 1
1 156 . 16 1 1 A 35 35 TYR HA H 13 4.654 4.938 -0.284 1
1 163 . 16 1 1 A 35 35 TYR CA C 13 56.060 57.606 -1.546 1
1 164 . 16 1 1 A 35 35 TYR CB C 13 41.000 39.852 1.148 1
1 167 . 16 1 1 A 35 35 TYR N N 13 112.988 118.090 -5.102 1
1 168 . 16 1 1 A 36 36 SER HA H 14 4.376 4.475 -0.099 1
1 171 . 16 1 1 A 36 36 SER C C 14 177.170 173.710 3.460 1
1 172 . 16 1 1 A 36 36 SER CA C 14 58.160 58.966 -0.806 1
1 173 . 16 1 1 A 36 36 SER CB C 14 64.000 63.712 0.288 1
1 174 . 16 1 1 A 37 37 ASP H H 15 8.910 8.582 0.328 1
1 175 . 16 1 1 A 37 37 ASP HA H 15 4.622 4.806 -0.184 1
1 178 . 16 1 1 A 37 37 ASP C C 15 178.221 175.429 2.792 1
1 179 . 16 1 1 A 37 37 ASP CA C 15 55.680 54.749 0.931 1
1 180 . 16 1 1 A 37 37 ASP CB C 15 39.640 40.834 -1.194 1
1 181 . 16 1 1 A 37 37 ASP N N 15 125.921 123.322 2.599 1
1 182 . 16 1 1 A 38 38 GLN H H 16 8.224 8.832 -0.608 1
1 183 . 16 1 1 A 38 38 GLN HA H 16 4.653 4.851 -0.198 1
1 190 . 16 1 1 A 38 38 GLN C C 16 176.655 175.077 1.578 1
1 191 . 16 1 1 A 38 38 GLN CA C 16 53.230 55.075 -1.845 1
1 192 . 16 1 1 A 38 38 GLN CB C 16 31.390 31.038 0.352 1
1 194 . 16 1 1 A 38 38 GLN N N 16 121.123 125.123 -4.000 1
1 196 . 16 1 1 A 39 39 THR H H 17 8.733 8.610 0.123 1
1 197 . 16 1 1 A 39 39 THR HA H 17 4.936 4.885 0.051 1
1 202 . 16 1 1 A 39 39 THR C C 17 176.173 173.474 2.699 1
1 203 . 16 1 1 A 39 39 THR CA C 17 62.170 61.079 1.091 1
1 204 . 16 1 1 A 39 39 THR CB C 17 69.300 68.992 0.308 1
1 206 . 16 1 1 A 39 39 THR N N 17 120.324 117.616 2.708 1
1 207 . 16 1 1 A 40 40 ILE H H 18 9.424 8.853 0.571 1
1 208 . 16 1 1 A 40 40 ILE HA H 18 4.592 4.666 -0.074 1
1 218 . 16 1 1 A 40 40 ILE C C 18 176.184 175.198 0.986 1
1 219 . 16 1 1 A 40 40 ILE CA C 18 58.200 60.327 -2.127 1
1 220 . 16 1 1 A 40 40 ILE CB C 18 41.130 38.414 2.716 1
1 224 . 16 1 1 A 40 40 ILE N N 18 126.321 128.344 -2.023 1
1 225 . 16 1 1 A 41 41 SER H H 19 8.518 8.726 -0.208 1
1 226 . 16 1 1 A 41 41 SER HA H 19 4.939 4.714 0.225 1
1 229 . 16 1 1 A 41 41 SER C C 19 175.210 174.367 0.843 1
1 230 . 16 1 1 A 41 41 SER CA C 19 57.160 58.368 -1.208 1
1 231 . 16 1 1 A 41 41 SER CB C 19 63.660 63.418 0.242 1
1 232 . 16 1 1 A 41 41 SER N N 19 120.959 122.783 -1.824 1
1 233 . 16 1 1 A 42 42 CYS H H 20 8.444 8.684 -0.240 1
1 234 . 16 1 1 A 42 42 CYS HA H 20 3.546 4.811 -1.265 1
1 237 . 16 1 1 A 42 42 CYS CA C 20 55.410 57.580 -2.170 1
1 238 . 16 1 1 A 42 42 CYS CB C 20 28.570 33.125 -4.555 1
1 239 . 16 1 1 A 42 42 CYS N N 20 120.248 122.728 -2.480 1
1 240 . 16 1 1 A 43 43 PHE HA H 21 4.580 4.724 -0.144 1
1 248 . 16 1 1 A 43 43 PHE C C 21 177.980 175.771 2.209 1
1 249 . 16 1 1 A 43 43 PHE CA C 21 56.490 56.549 -0.059 1
1 250 . 16 1 1 A 43 43 PHE CB C 21 42.360 43.190 -0.830 1
1 254 . 16 1 1 A 44 44 LEU H H 22 9.159 8.814 0.345 1
1 255 . 16 1 1 A 44 44 LEU HA H 22 3.779 4.138 -0.359 1
1 265 . 16 1 1 A 44 44 LEU C C 22 178.177 178.629 -0.452 1
1 266 . 16 1 1 A 44 44 LEU CA C 22 56.980 56.206 0.774 1
1 267 . 16 1 1 A 44 44 LEU CB C 22 42.090 41.485 0.605 1
1 271 . 16 1 1 A 44 44 LEU N N 22 120.130 124.984 -4.854 1
1 272 . 16 1 1 A 45 45 ASN H H 23 8.058 8.034 0.024 1
1 273 . 16 1 1 A 45 45 ASN HA H 23 4.650 4.272 0.378 1
1 276 . 16 1 1 A 45 45 ASN C C 23 178.364 175.722 2.642 1
1 277 . 16 1 1 A 45 45 ASN CA C 23 52.880 56.276 -3.396 1
1 278 . 16 1 1 A 45 45 ASN CB C 23 37.320 39.111 -1.791 1
1 279 . 16 1 1 A 45 45 ASN N N 23 112.017 117.515 -5.498 1
1 280 . 16 1 1 A 46 46 TRP H H 24 7.857 7.555 0.302 1
1 281 . 16 1 1 A 46 46 TRP HA H 24 4.712 4.801 -0.089 1
1 290 . 16 1 1 A 46 46 TRP C C 24 178.802 176.154 2.648 1
1 291 . 16 1 1 A 46 46 TRP CA C 24 57.240 57.539 -0.299 1
1 292 . 16 1 1 A 46 46 TRP CB C 24 29.250 30.386 -1.136 1
1 298 . 16 1 1 A 46 46 TRP N N 24 121.301 117.718 3.583 1
1 300 . 16 1 1 A 47 47 THR H H 25 7.473 8.900 -1.427 1
1 301 . 16 1 1 A 47 47 THR HA H 25 5.097 4.821 0.276 1
1 306 . 16 1 1 A 47 47 THR C C 25 178.375 176.524 1.851 1
1 307 . 16 1 1 A 47 47 THR CA C 25 59.940 60.199 -0.259 1
1 308 . 16 1 1 A 47 47 THR CB C 25 71.080 71.601 -0.521 1
1 310 . 16 1 1 A 47 47 THR N N 25 109.055 113.016 -3.961 1
1 311 . 16 1 1 A 48 48 VAL H H 26 8.349 8.490 -0.141 1
1 312 . 16 1 1 A 48 48 VAL HA H 26 3.433 3.535 -0.102 1
1 320 . 16 1 1 A 48 48 VAL C C 26 180.548 178.193 2.355 1
1 321 . 16 1 1 A 48 48 VAL CA C 26 66.460 66.301 0.159 1
1 322 . 16 1 1 A 48 48 VAL CB C 26 31.540 31.495 0.045 1
1 325 . 16 1 1 A 48 48 VAL N N 26 123.048 122.012 1.036 1
1 326 . 16 1 1 A 49 49 GLY H H 27 9.099 8.134 0.965 1
1 327 . 16 1 1 A 49 49 GLY HA2 H 27 3.895 3.780 0.115 1
1 328 . 16 1 1 A 49 49 GLY HA3 H 27 3.512 3.786 -0.274 1
1 329 . 16 1 1 A 49 49 GLY C C 27 177.909 175.432 2.477 1
1 330 . 16 1 1 A 49 49 GLY CA C 27 47.100 47.166 -0.066 1
1 331 . 16 1 1 A 49 49 GLY N N 27 107.086 107.161 -0.075 1
1 332 . 16 1 1 A 50 50 LYS H H 28 7.937 7.694 0.243 1
1 333 . 16 1 1 A 50 50 LYS HA H 28 3.907 3.892 0.015 1
1 342 . 16 1 1 A 50 50 LYS C C 28 180.866 179.317 1.549 1
1 343 . 16 1 1 A 50 50 LYS CA C 28 59.000 59.405 -0.405 1
1 344 . 16 1 1 A 50 50 LYS CB C 28 31.730 32.333 -0.603 1
1 348 . 16 1 1 A 50 50 LYS N N 28 125.227 122.067 3.160 1
1 349 . 16 1 1 A 51 51 LEU H H 29 8.364 8.236 0.128 1
1 350 . 16 1 1 A 51 51 LEU HA H 29 4.357 4.091 0.266 1
1 360 . 16 1 1 A 51 51 LEU C C 29 180.056 179.387 0.669 1
1 361 . 16 1 1 A 51 51 LEU CA C 29 58.360 57.792 0.568 1
1 362 . 16 1 1 A 51 51 LEU CB C 29 41.510 41.287 0.223 1
1 366 . 16 1 1 A 51 51 LEU N N 29 122.366 120.082 2.284 1
1 367 . 16 1 1 A 52 52 LYS H H 30 8.711 8.351 0.360 1
1 368 . 16 1 1 A 52 52 LYS HA H 30 4.542 3.889 0.653 1
1 377 . 16 1 1 A 52 52 LYS C C 30 182.257 178.803 3.454 1
1 378 . 16 1 1 A 52 52 LYS CA C 30 59.310 59.803 -0.493 1
1 379 . 16 1 1 A 52 52 LYS CB C 30 33.380 32.060 1.320 1
1 383 . 16 1 1 A 52 52 LYS N N 30 119.050 120.527 -1.477 1
1 384 . 16 1 1 A 53 53 THR H H 31 8.130 7.740 0.390 1
1 385 . 16 1 1 A 53 53 THR HA H 31 3.655 3.940 -0.285 1
1 390 . 16 1 1 A 53 53 THR C C 31 179.092 176.021 3.071 1
1 391 . 16 1 1 A 53 53 THR CA C 31 66.890 67.069 -0.179 1
1 392 . 16 1 1 A 53 53 THR CB C 31 68.370 68.462 -0.092 1
1 394 . 16 1 1 A 53 53 THR N N 31 118.206 116.990 1.216 1
1 395 . 16 1 1 A 54 54 HIS H H 32 8.310 7.648 0.662 1
1 396 . 16 1 1 A 54 54 HIS HA H 32 4.566 4.094 0.472 1
1 400 . 16 1 1 A 54 54 HIS C C 32 180.735 176.695 4.040 1
1 401 . 16 1 1 A 54 54 HIS CA C 32 60.010 60.016 -0.006 1
1 402 . 16 1 1 A 54 54 HIS CB C 32 31.620 29.234 2.386 1
1 404 . 16 1 1 A 54 54 HIS N N 32 124.425 121.337 3.088 1
1 405 . 16 1 1 A 55 55 LEU H H 33 9.036 8.369 0.667 1
1 406 . 16 1 1 A 55 55 LEU HA H 33 3.958 3.812 0.146 1
1 416 . 16 1 1 A 55 55 LEU C C 33 180.877 179.267 1.610 1
1 417 . 16 1 1 A 55 55 LEU CA C 33 58.180 57.695 0.485 1
1 418 . 16 1 1 A 55 55 LEU CB C 33 40.710 40.995 -0.285 1
1 422 . 16 1 1 A 55 55 LEU N N 33 119.746 120.017 -0.271 1
1 423 . 16 1 1 A 56 56 SER H H 34 8.266 7.824 0.442 1
1 424 . 16 1 1 A 56 56 SER HA H 34 4.159 4.157 0.002 1
1 427 . 16 1 1 A 56 56 SER C C 34 176.015 176.718 -0.703 1
1 428 . 16 1 1 A 56 56 SER CA C 34 61.590 61.129 0.461 1
1 429 . 16 1 1 A 56 56 SER CB C 34 63.600 63.176 0.424 1
1 430 . 16 1 1 A 56 56 SER N N 34 114.534 114.151 0.383 1
1 431 . 16 1 1 A 57 57 ASN H H 35 7.273 7.798 -0.525 1
1 432 . 16 1 1 A 57 57 ASN HA H 35 4.799 4.603 0.196 1
1 437 . 16 1 1 A 57 57 ASN C C 35 179.004 177.052 1.952 1
1 438 . 16 1 1 A 57 57 ASN CA C 35 54.520 55.964 -1.444 1
1 439 . 16 1 1 A 57 57 ASN CB C 35 40.890 38.792 2.098 1
1 440 . 16 1 1 A 57 57 ASN N N 35 115.349 119.088 -3.739 1
1 442 . 16 1 1 A 58 58 VAL H H 36 7.810 6.942 0.868 1
1 443 . 16 1 1 A 58 58 VAL HA H 36 4.309 4.246 0.063 1
1 451 . 16 1 1 A 58 58 VAL C C 36 178.446 175.592 2.854 1
1 452 . 16 1 1 A 58 58 VAL CA C 36 62.350 62.552 -0.202 1
1 453 . 16 1 1 A 58 58 VAL CB C 36 32.980 32.695 0.285 1
1 456 . 16 1 1 A 58 58 VAL N N 36 110.874 109.271 1.603 1
1 457 . 16 1 1 A 59 59 TYR H H 37 8.896 7.825 1.071 1
1 458 . 16 1 1 A 59 59 TYR HA H 37 4.482 4.716 -0.234 1
1 465 . 16 1 1 A 59 59 TYR CA C 37 57.740 56.851 0.889 1
1 466 . 16 1 1 A 59 59 TYR CB C 37 40.440 39.747 0.693 1
1 469 . 16 1 1 A 59 59 TYR N N 37 127.773 124.261 3.512 1
1 470 . 16 1 1 A 60 60 PRO HA H 38 3.956 4.283 -0.327 1
1 477 . 16 1 1 A 60 60 PRO C C 38 178.511 177.567 0.944 1
1 478 . 16 1 1 A 60 60 PRO CA C 38 65.560 64.798 0.762 1
1 479 . 16 1 1 A 60 60 PRO CB C 38 31.860 31.916 -0.056 1
1 482 . 16 1 1 A 61 61 SER H H 39 6.571 7.529 -0.958 1
1 483 . 16 1 1 A 61 61 SER HA H 39 4.238 4.208 0.030 1
1 486 . 16 1 1 A 61 61 SER C C 39 175.774 173.959 1.815 1
1 487 . 16 1 1 A 61 61 SER CA C 39 58.290 60.462 -2.172 1
1 488 . 16 1 1 A 61 61 SER CB C 39 63.420 63.283 0.137 1
1 489 . 16 1 1 A 61 61 SER N N 39 108.382 111.763 -3.381 1
1 490 . 16 1 1 A 62 62 LYS H H 40 8.384 7.718 0.666 1
1 491 . 16 1 1 A 62 62 LYS HA H 40 3.922 3.968 -0.046 1
1 500 . 16 1 1 A 62 62 LYS CA C 40 56.710 56.652 0.058 1
1 501 . 16 1 1 A 62 62 LYS CB C 40 30.640 30.654 -0.014 1
1 505 . 16 1 1 A 62 62 LYS N N 40 118.443 119.019 -0.576 1
1 506 . 16 1 1 A 63 63 PRO HA H 41 4.284 4.623 -0.339 1
1 513 . 16 1 1 A 63 63 PRO C C 41 179.464 176.503 2.961 1
1 514 . 16 1 1 A 63 63 PRO CA C 41 62.620 62.386 0.234 1
1 515 . 16 1 1 A 63 63 PRO CB C 41 31.640 32.535 -0.895 1
1 518 . 16 1 1 A 64 64 LEU H H 42 8.689 8.475 0.214 1
1 519 . 16 1 1 A 64 64 LEU HA H 42 4.212 4.231 -0.019 1
1 529 . 16 1 1 A 64 64 LEU C C 42 182.476 179.001 3.475 1
1 530 . 16 1 1 A 64 64 LEU CA C 42 54.750 54.336 0.414 1
1 531 . 16 1 1 A 64 64 LEU CB C 42 41.360 40.683 0.677 1
1 535 . 16 1 1 A 64 64 LEU N N 42 122.677 122.094 0.583 1
1 536 . 16 1 1 A 65 65 THR H H 43 8.858 8.681 0.177 1
1 537 . 16 1 1 A 65 65 THR HA H 43 3.779 3.889 -0.110 1
1 542 . 16 1 1 A 65 65 THR C C 43 180.078 175.515 4.563 1
1 543 . 16 1 1 A 65 65 THR CA C 43 66.310 65.591 0.719 1
1 544 . 16 1 1 A 65 65 THR CB C 43 68.100 68.108 -0.008 1
1 546 . 16 1 1 A 65 65 THR N N 43 116.000 118.793 -2.793 1
1 547 . 16 1 1 A 66 66 LYS H H 44 7.921 8.640 -0.719 1
1 548 . 16 1 1 A 66 66 LYS HA H 44 4.125 4.116 0.009 1
1 557 . 16 1 1 A 66 66 LYS C C 44 177.953 178.249 -0.296 1
1 558 . 16 1 1 A 66 66 LYS CA C 44 57.730 58.403 -0.673 1
1 559 . 16 1 1 A 66 66 LYS CB C 44 31.890 31.379 0.511 1
1 563 . 16 1 1 A 66 66 LYS N N 44 117.614 121.430 -3.816 1
1 564 . 16 1 1 A 67 67 ASP H H 45 7.394 7.689 -0.295 1
1 565 . 16 1 1 A 67 67 ASP HA H 45 4.746 4.686 0.060 1
1 568 . 16 1 1 A 67 67 ASP C C 45 177.876 177.027 0.849 1
1 569 . 16 1 1 A 67 67 ASP CA C 45 54.350 55.491 -1.141 1
1 570 . 16 1 1 A 67 67 ASP CB C 45 42.090 41.992 0.098 1
1 571 . 16 1 1 A 67 67 ASP N N 45 118.443 118.223 0.220 1
1 572 . 16 1 1 A 68 68 GLN H H 46 7.143 7.705 -0.562 1
1 573 . 16 1 1 A 68 68 GLN HA H 46 4.054 4.750 -0.696 1
1 578 . 16 1 1 A 68 68 GLN C C 46 177.515 176.267 1.248 1
1 579 . 16 1 1 A 68 68 GLN CA C 46 56.750 56.478 0.272 1
1 580 . 16 1 1 A 68 68 GLN CB C 46 31.150 29.597 1.553 1
1 582 . 16 1 1 A 68 68 GLN N N 46 120.205 117.027 3.178 1
1 583 . 16 1 1 A 69 69 ARG H H 47 8.269 8.405 -0.136 1
1 584 . 16 1 1 A 69 69 ARG HA H 47 4.334 5.032 -0.698 1
1 591 . 16 1 1 A 69 69 ARG C C 47 175.708 174.562 1.146 1
1 592 . 16 1 1 A 69 69 ARG CA C 47 55.010 54.347 0.663 1
1 593 . 16 1 1 A 69 69 ARG CB C 47 31.390 33.939 -2.549 1
1 596 . 16 1 1 A 69 69 ARG N N 47 124.781 123.112 1.669 1
1 597 . 16 1 1 A 70 70 LEU H H 48 8.254 8.575 -0.321 1
1 598 . 16 1 1 A 70 70 LEU HA H 48 5.444 5.303 0.141 1
1 608 . 16 1 1 A 70 70 LEU C C 48 177.175 176.047 1.128 1
1 609 . 16 1 1 A 70 70 LEU CA C 48 52.810 53.327 -0.517 1
1 610 . 16 1 1 A 70 70 LEU CB C 48 45.100 45.191 -0.091 1
1 614 . 16 1 1 A 70 70 LEU N N 48 122.071 121.738 0.333 1
1 615 . 16 1 1 A 71 71 VAL H H 49 9.251 8.627 0.624 1
1 616 . 16 1 1 A 71 71 VAL HA H 49 4.889 5.218 -0.329 1
1 624 . 16 1 1 A 71 71 VAL C C 49 177.208 174.034 3.174 1
1 625 . 16 1 1 A 71 71 VAL CA C 49 60.570 60.770 -0.200 1
1 626 . 16 1 1 A 71 71 VAL CB C 49 34.580 35.696 -1.116 1
1 629 . 16 1 1 A 71 71 VAL N N 49 122.797 121.873 0.924 1
1 630 . 16 1 1 A 72 72 TYR H H 50 8.684 9.084 -0.400 1
1 631 . 16 1 1 A 72 72 TYR HA H 50 5.155 5.042 0.113 1
1 638 . 16 1 1 A 72 72 TYR CA C 50 56.060 57.485 -1.425 1
1 639 . 16 1 1 A 72 72 TYR CB C 50 43.140 41.733 1.407 1
1 642 . 16 1 1 A 72 72 TYR N N 50 126.349 127.280 -0.931 1
1 643 . 16 1 1 A 73 73 SER HA H 51 3.673 4.045 -0.372 1
1 646 . 16 1 1 A 73 73 SER C C 51 177.153 174.548 2.605 1
1 647 . 16 1 1 A 73 73 SER CA C 51 58.000 59.097 -1.097 1
1 648 . 16 1 1 A 73 73 SER CB C 51 62.190 60.743 1.447 1
1 649 . 16 1 1 A 74 74 GLY H H 52 8.209 8.341 -0.132 1
1 650 . 16 1 1 A 74 74 GLY HA2 H 52 4.030 4.036 -0.006 1
1 651 . 16 1 1 A 74 74 GLY HA3 H 52 3.346 4.039 -0.693 1
1 652 . 16 1 1 A 74 74 GLY C C 52 175.259 174.458 0.801 1
1 653 . 16 1 1 A 74 74 GLY CA C 52 44.990 45.051 -0.061 1
1 654 . 16 1 1 A 74 74 GLY N N 52 103.501 110.477 -6.976 1
1 655 . 16 1 1 A 75 75 ARG H H 53 7.816 7.802 0.014 1
1 656 . 16 1 1 A 75 75 ARG HA H 53 4.555 4.411 0.144 1
1 663 . 16 1 1 A 75 75 ARG C C 53 176.321 175.306 1.015 1
1 664 . 16 1 1 A 75 75 ARG CA C 53 54.590 55.778 -1.188 1
1 665 . 16 1 1 A 75 75 ARG CB C 53 32.620 31.231 1.389 1
1 668 . 16 1 1 A 75 75 ARG N N 53 121.834 120.280 1.554 1
1 669 . 16 1 1 A 76 76 LEU H H 54 8.470 8.301 0.169 1
1 670 . 16 1 1 A 76 76 LEU HA H 54 4.500 4.530 -0.030 1
1 680 . 16 1 1 A 76 76 LEU C C 54 179.639 175.207 4.432 1
1 681 . 16 1 1 A 76 76 LEU CA C 54 55.260 55.514 -0.254 1
1 682 . 16 1 1 A 76 76 LEU CB C 54 42.210 42.935 -0.725 1
1 686 . 16 1 1 A 76 76 LEU N N 54 127.239 125.069 2.170 1
1 687 . 16 1 1 A 77 77 LEU H H 55 8.863 9.124 -0.261 1
1 688 . 16 1 1 A 77 77 LEU HA H 55 4.605 4.840 -0.235 1
1 698 . 16 1 1 A 77 77 LEU CA C 55 52.230 51.347 0.883 1
1 699 . 16 1 1 A 77 77 LEU CB C 55 43.090 42.401 0.689 1
1 703 . 16 1 1 A 77 77 LEU N N 55 127.741 128.422 -0.681 1
1 704 . 16 1 1 A 78 78 PRO HA H 56 4.708 4.697 0.011 1
1 711 . 16 1 1 A 78 78 PRO C C 56 179.519 177.304 2.215 1
1 712 . 16 1 1 A 78 78 PRO CA C 56 61.780 62.318 -0.538 1
1 713 . 16 1 1 A 78 78 PRO CB C 56 32.600 32.767 -0.167 1
1 716 . 16 1 1 A 79 79 ASP H H 57 8.109 8.710 -0.601 1
1 717 . 16 1 1 A 79 79 ASP HA H 57 4.122 4.247 -0.125 1
1 720 . 16 1 1 A 79 79 ASP C C 57 179.782 177.809 1.973 1
1 721 . 16 1 1 A 79 79 ASP CA C 57 57.380 56.467 0.913 1
1 722 . 16 1 1 A 79 79 ASP CB C 57 41.200 40.080 1.120 1
1 723 . 16 1 1 A 79 79 ASP N N 57 116.504 124.020 -7.516 1
1 724 . 16 1 1 A 80 80 HIS H H 58 7.815 7.639 0.176 1
1 725 . 16 1 1 A 80 80 HIS HA H 58 4.519 4.441 0.078 1
1 730 . 16 1 1 A 80 80 HIS C C 58 177.668 175.721 1.947 1
1 731 . 16 1 1 A 80 80 HIS CA C 58 57.110 57.983 -0.873 1
1 732 . 16 1 1 A 80 80 HIS CB C 58 30.770 29.259 1.511 1
1 735 . 16 1 1 A 80 80 HIS N N 58 112.239 114.410 -2.171 1
1 736 . 16 1 1 A 81 81 LEU H H 59 6.281 6.641 -0.360 1
1 737 . 16 1 1 A 81 81 LEU HA H 59 4.157 4.412 -0.255 1
1 747 . 16 1 1 A 81 81 LEU C C 59 178.501 176.663 1.838 1
1 748 . 16 1 1 A 81 81 LEU CA C 59 53.970 53.529 0.441 1
1 749 . 16 1 1 A 81 81 LEU CB C 59 43.360 43.255 0.105 1
1 753 . 16 1 1 A 81 81 LEU N N 59 120.531 117.854 2.677 1
1 754 . 16 1 1 A 82 82 GLN H H 60 8.863 8.830 0.033 1
1 755 . 16 1 1 A 82 82 GLN HA H 60 4.891 4.339 0.552 1
1 762 . 16 1 1 A 82 82 GLN C C 60 180.417 177.529 2.888 1
1 763 . 16 1 1 A 82 82 GLN CA C 60 54.880 55.990 -1.110 1
1 764 . 16 1 1 A 82 82 GLN CB C 60 31.480 29.370 2.110 1
1 766 . 16 1 1 A 82 82 GLN N N 60 118.014 120.571 -2.557 1
1 768 . 16 1 1 A 83 83 LEU H H 61 8.688 8.778 -0.090 1
1 769 . 16 1 1 A 83 83 LEU HA H 61 3.705 3.881 -0.176 1
1 779 . 16 1 1 A 83 83 LEU C C 61 181.775 178.725 3.050 1
1 780 . 16 1 1 A 83 83 LEU CA C 61 58.510 58.022 0.488 1
1 781 . 16 1 1 A 83 83 LEU CB C 61 40.330 41.346 -1.016 1
1 785 . 16 1 1 A 83 83 LEU N N 61 121.910 124.076 -2.166 1
1 786 . 16 1 1 A 84 84 LYS H H 62 8.525 7.964 0.561 1
1 787 . 16 1 1 A 84 84 LYS HA H 62 3.972 4.014 -0.042 1
1 796 . 16 1 1 A 84 84 LYS C C 62 177.865 178.177 -0.312 1
1 797 . 16 1 1 A 84 84 LYS CA C 62 57.690 59.065 -1.375 1
1 798 . 16 1 1 A 84 84 LYS CB C 62 31.440 32.165 -0.725 1
1 802 . 16 1 1 A 84 84 LYS N N 62 115.896 117.347 -1.451 1
1 803 . 16 1 1 A 85 85 ASP H H 63 7.598 7.873 -0.275 1
1 804 . 16 1 1 A 85 85 ASP HA H 63 4.710 4.346 0.364 1
1 807 . 16 1 1 A 85 85 ASP C C 63 177.307 177.576 -0.269 1
1 808 . 16 1 1 A 85 85 ASP CA C 63 55.460 57.541 -2.081 1
1 809 . 16 1 1 A 85 85 ASP CB C 63 42.000 41.657 0.343 1
1 810 . 16 1 1 A 85 85 ASP N N 63 118.917 119.486 -0.569 1
1 811 . 16 1 1 A 86 86 ILE H H 64 7.417 7.333 0.084 1
1 812 . 16 1 1 A 86 86 ILE HA H 64 4.027 4.092 -0.065 1
1 822 . 16 1 1 A 86 86 ILE C C 64 177.055 176.951 0.104 1
1 823 . 16 1 1 A 86 86 ILE CA C 64 62.150 62.473 -0.323 1
1 824 . 16 1 1 A 86 86 ILE CB C 64 42.670 39.031 3.639 1
1 828 . 16 1 1 A 86 86 ILE N N 64 117.599 116.952 0.647 1
1 829 . 16 1 1 A 87 87 LEU H H 65 7.399 7.439 -0.040 1
1 830 . 16 1 1 A 87 87 LEU HA H 65 3.695 4.052 -0.357 1
1 840 . 16 1 1 A 87 87 LEU C C 65 179.409 177.164 2.245 1
1 841 . 16 1 1 A 87 87 LEU CA C 65 55.040 54.045 0.995 1
1 842 . 16 1 1 A 87 87 LEU CB C 65 40.910 41.275 -0.365 1
1 846 . 16 1 1 A 87 87 LEU N N 65 116.948 119.099 -2.151 1
1 847 . 16 1 1 A 88 88 ARG H H 66 7.954 7.369 0.585 1
1 848 . 16 1 1 A 88 88 ARG HA H 66 4.227 4.019 0.208 1
1 855 . 16 1 1 A 88 88 ARG C C 66 179.333 178.765 0.568 1
1 856 . 16 1 1 A 88 88 ARG CA C 66 56.960 58.982 -2.022 1
1 857 . 16 1 1 A 88 88 ARG CB C 66 30.570 29.491 1.079 1
1 860 . 16 1 1 A 88 88 ARG N N 66 122.752 121.158 1.594 1
1 861 . 16 1 1 A 89 89 LYS H H 67 8.374 7.866 0.508 1
1 862 . 16 1 1 A 89 89 LYS HA H 67 3.948 4.114 -0.166 1
1 871 . 16 1 1 A 89 89 LYS C C 67 179.278 179.110 0.168 1
1 872 . 16 1 1 A 89 89 LYS CA C 67 58.560 59.713 -1.153 1
1 873 . 16 1 1 A 89 89 LYS CB C 67 32.620 32.364 0.256 1
1 877 . 16 1 1 A 89 89 LYS N N 67 124.661 119.298 5.363 1
1 878 . 16 1 1 A 90 90 GLN H H 68 8.616 7.979 0.637 1
1 879 . 16 1 1 A 90 90 GLN HA H 68 4.169 4.243 -0.074 1
1 886 . 16 1 1 A 90 90 GLN C C 68 177.778 176.104 1.674 1
1 887 . 16 1 1 A 90 90 GLN CA C 68 56.670 56.489 0.181 1
1 888 . 16 1 1 A 90 90 GLN CB C 68 28.230 29.465 -1.235 1
1 890 . 16 1 1 A 90 90 GLN N N 68 115.896 118.359 -2.463 1
1 892 . 16 1 1 A 91 91 ASP H H 69 7.319 7.970 -0.651 1
1 893 . 16 1 1 A 91 91 ASP HA H 69 4.523 4.722 -0.199 1
1 896 . 16 1 1 A 91 91 ASP C C 69 177.164 176.572 0.592 1
1 897 . 16 1 1 A 91 91 ASP CA C 69 54.440 56.278 -1.838 1
1 898 . 16 1 1 A 91 91 ASP CB C 69 41.200 40.441 0.759 1
1 899 . 16 1 1 A 91 91 ASP N N 69 121.181 118.980 2.201 1
1 900 . 16 1 1 A 92 92 GLU H H 70 8.320 8.201 0.119 1
1 901 . 16 1 1 A 92 92 GLU HA H 70 3.892 4.118 -0.226 1
1 906 . 16 1 1 A 92 92 GLU C C 70 177.657 175.358 2.299 1
1 907 . 16 1 1 A 92 92 GLU CA C 70 57.260 58.581 -1.321 1
1 908 . 16 1 1 A 92 92 GLU CB C 70 30.750 29.835 0.915 1
1 910 . 16 1 1 A 92 92 GLU N N 70 120.205 118.827 1.378 1
1 911 . 16 1 1 A 93 93 TYR H H 71 7.251 7.547 -0.296 1
1 912 . 16 1 1 A 93 93 TYR HA H 71 4.550 4.958 -0.408 1
1 919 . 16 1 1 A 93 93 TYR C C 71 175.861 174.898 0.963 1
1 920 . 16 1 1 A 93 93 TYR CA C 71 55.550 56.144 -0.594 1
1 921 . 16 1 1 A 93 93 TYR CB C 71 39.680 39.898 -0.218 1
1 924 . 16 1 1 A 93 93 TYR N N 71 115.349 115.982 -0.633 1
1 925 . 16 1 1 A 94 94 HIS H H 72 7.991 8.849 -0.858 1
1 926 . 16 1 1 A 94 94 HIS HA H 72 5.034 5.484 -0.450 1
1 930 . 16 1 1 A 94 94 HIS C C 72 176.157 174.278 1.879 1
1 931 . 16 1 1 A 94 94 HIS CA C 72 54.990 54.301 0.689 1
1 932 . 16 1 1 A 94 94 HIS CB C 72 33.910 32.181 1.729 1
1 934 . 16 1 1 A 94 94 HIS N N 72 120.146 119.619 0.527 1
1 935 . 16 1 1 A 95 95 MET H H 73 9.227 9.032 0.195 1
1 936 . 16 1 1 A 95 95 MET HA H 73 5.306 4.643 0.663 1
1 941 . 16 1 1 A 95 95 MET C C 73 176.891 175.233 1.658 1
1 942 . 16 1 1 A 95 95 MET CA C 73 54.500 54.682 -0.182 1
1 943 . 16 1 1 A 95 95 MET CB C 73 33.690 32.182 1.508 1
1 945 . 16 1 1 A 95 95 MET N N 73 124.691 124.327 0.364 1
1 946 . 16 1 1 A 96 96 VAL H H 74 9.070 8.860 0.210 1
1 947 . 16 1 1 A 96 96 VAL HA H 74 4.719 4.711 0.008 1
1 955 . 16 1 1 A 96 96 VAL C C 74 175.653 174.965 0.688 1
1 956 . 16 1 1 A 96 96 VAL CA C 74 60.790 60.916 -0.126 1
1 957 . 16 1 1 A 96 96 VAL CB C 74 35.290 33.301 1.989 1
1 960 . 16 1 1 A 96 96 VAL N N 74 125.298 125.275 0.023 1
1 961 . 16 1 1 A 97 97 HIS H H 75 9.197 8.943 0.254 1
1 962 . 16 1 1 A 97 97 HIS HA H 75 5.213 5.109 0.104 1
1 966 . 16 1 1 A 97 97 HIS C C 75 176.245 175.096 1.149 1
1 967 . 16 1 1 A 97 97 HIS CA C 75 55.800 55.331 0.469 1
1 968 . 16 1 1 A 97 97 HIS CB C 75 32.170 31.384 0.786 1
1 970 . 16 1 1 A 97 97 HIS N N 75 125.299 126.401 -1.102 1
1 971 . 16 1 1 A 98 98 LEU H H 76 8.423 8.778 -0.355 1
1 972 . 16 1 1 A 98 98 LEU HA H 76 5.059 4.524 0.535 1
1 982 . 16 1 1 A 98 98 LEU C C 76 177.592 175.286 2.306 1
1 983 . 16 1 1 A 98 98 LEU CA C 76 54.150 54.923 -0.773 1
1 984 . 16 1 1 A 98 98 LEU CB C 76 43.540 43.387 0.153 1
1 988 . 16 1 1 A 98 98 LEU N N 76 126.291 126.397 -0.106 1
1 13 . 17 1 1 A 24 24 VAL H H 2 8.008 7.900 0.108 1
1 14 . 17 1 1 A 24 24 VAL HA H 2 4.297 4.631 -0.334 1
1 22 . 17 1 1 A 24 24 VAL C C 2 175.571 175.311 0.260 1
1 23 . 17 1 1 A 24 24 VAL CA C 2 60.030 60.407 -0.377 1
1 24 . 17 1 1 A 24 24 VAL CB C 2 34.710 34.798 -0.088 1
1 27 . 17 1 1 A 24 24 VAL N N 2 118.399 118.896 -0.497 1
1 28 . 17 1 1 A 25 25 THR H H 3 8.520 8.865 -0.345 1
1 29 . 17 1 1 A 25 25 THR HA H 3 4.738 4.479 0.259 1
1 34 . 17 1 1 A 25 25 THR C C 3 175.275 173.129 2.146 1
1 35 . 17 1 1 A 25 25 THR CA C 3 62.350 62.718 -0.368 1
1 36 . 17 1 1 A 25 25 THR CB C 3 69.930 68.919 1.011 1
1 38 . 17 1 1 A 25 25 THR N N 3 121.522 123.358 -1.836 1
1 39 . 17 1 1 A 26 26 LEU H H 4 8.929 9.202 -0.273 1
1 40 . 17 1 1 A 26 26 LEU HA H 4 5.102 5.008 0.094 1
1 50 . 17 1 1 A 26 26 LEU C C 4 176.809 175.051 1.758 1
1 51 . 17 1 1 A 26 26 LEU CA C 4 52.850 53.774 -0.924 1
1 52 . 17 1 1 A 26 26 LEU CB C 4 45.140 44.011 1.129 1
1 56 . 17 1 1 A 26 26 LEU N N 4 127.076 129.222 -2.146 1
1 57 . 17 1 1 A 27 27 ILE H H 5 8.990 8.830 0.160 1
1 58 . 17 1 1 A 27 27 ILE HA H 5 4.682 4.634 0.048 1
1 68 . 17 1 1 A 27 27 ILE C C 5 176.962 175.405 1.557 1
1 69 . 17 1 1 A 27 27 ILE CA C 5 59.810 61.158 -1.348 1
1 70 . 17 1 1 A 27 27 ILE CB C 5 38.590 36.699 1.891 1
1 74 . 17 1 1 A 27 27 ILE N N 5 122.974 128.022 -5.048 1
1 75 . 17 1 1 A 28 28 ILE H H 6 9.288 8.835 0.453 1
1 76 . 17 1 1 A 28 28 ILE HA H 6 5.025 4.591 0.434 1
1 86 . 17 1 1 A 28 28 ILE C C 6 178.889 175.486 3.403 1
1 87 . 17 1 1 A 28 28 ILE CA C 6 57.620 61.093 -3.473 1
1 88 . 17 1 1 A 28 28 ILE CB C 6 36.680 37.517 -0.837 1
1 92 . 17 1 1 A 28 28 ILE N N 6 125.520 128.930 -3.410 1
1 93 . 17 1 1 A 29 29 LYS H H 7 8.832 8.796 0.036 1
1 94 . 17 1 1 A 29 29 LYS HA H 7 4.597 4.865 -0.268 1
1 103 . 17 1 1 A 29 29 LYS C C 7 176.414 176.061 0.353 1
1 104 . 17 1 1 A 29 29 LYS CA C 7 54.240 55.142 -0.902 1
1 105 . 17 1 1 A 29 29 LYS CB C 7 34.050 33.011 1.039 1
1 109 . 17 1 1 A 29 29 LYS N N 7 130.704 127.867 2.837 1
1 110 . 17 1 1 A 30 30 ALA H H 8 9.021 8.336 0.685 1
1 111 . 17 1 1 A 30 30 ALA HA H 8 5.221 4.509 0.712 1
1 115 . 17 1 1 A 30 30 ALA CA C 8 49.220 50.989 -1.769 1
1 116 . 17 1 1 A 30 30 ALA CB C 8 20.620 18.119 2.501 1
1 117 . 17 1 1 A 30 30 ALA N N 8 126.869 129.047 -2.178 1
1 118 . 17 1 1 A 31 31 PRO HA H 9 4.445 4.558 -0.113 1
1 125 . 17 1 1 A 31 31 PRO CA C 9 63.990 64.150 -0.160 1
1 126 . 17 1 1 A 31 31 PRO CB C 9 31.860 32.068 -0.208 1
1 129 . 17 1 1 A 32 32 ASN HA H 10 4.531 4.583 -0.052 1
1 134 . 17 1 1 A 32 32 ASN C C 10 176.666 175.190 1.476 1
1 135 . 17 1 1 A 32 32 ASN CA C 10 53.210 56.041 -2.831 1
1 136 . 17 1 1 A 32 32 ASN CB C 10 38.150 38.968 -0.818 1
1 138 . 17 1 1 A 33 33 GLN H H 11 8.123 8.143 -0.020 1
1 139 . 17 1 1 A 33 33 GLN N N 11 114.038 118.106 -4.068 1
1 140 . 17 1 1 A 34 34 LYS HA H 12 3.817 4.028 -0.211 1
1 149 . 17 1 1 A 34 34 LYS C C 12 178.002 176.931 1.071 1
1 150 . 17 1 1 A 34 34 LYS CA C 12 58.290 58.943 -0.653 1
1 151 . 17 1 1 A 34 34 LYS CB C 12 32.570 32.065 0.505 1
1 155 . 17 1 1 A 35 35 TYR H H 13 6.845 8.359 -1.514 1
1 156 . 17 1 1 A 35 35 TYR HA H 13 4.654 4.703 -0.049 1
1 163 . 17 1 1 A 35 35 TYR CA C 13 56.060 56.888 -0.828 1
1 164 . 17 1 1 A 35 35 TYR CB C 13 41.000 36.803 4.197 1
1 167 . 17 1 1 A 35 35 TYR N N 13 112.988 118.367 -5.379 1
1 168 . 17 1 1 A 36 36 SER HA H 14 4.376 4.700 -0.324 1
1 171 . 17 1 1 A 36 36 SER C C 14 177.170 173.871 3.299 1
1 172 . 17 1 1 A 36 36 SER CA C 14 58.160 57.952 0.208 1
1 173 . 17 1 1 A 36 36 SER CB C 14 64.000 64.166 -0.166 1
1 174 . 17 1 1 A 37 37 ASP H H 15 8.910 8.585 0.325 1
1 175 . 17 1 1 A 37 37 ASP HA H 15 4.622 4.582 0.040 1
1 178 . 17 1 1 A 37 37 ASP C C 15 178.221 176.381 1.840 1
1 179 . 17 1 1 A 37 37 ASP CA C 15 55.680 54.923 0.757 1
1 180 . 17 1 1 A 37 37 ASP CB C 15 39.640 41.173 -1.533 1
1 181 . 17 1 1 A 37 37 ASP N N 15 125.921 119.761 6.160 1
1 182 . 17 1 1 A 38 38 GLN H H 16 8.224 8.807 -0.583 1
1 183 . 17 1 1 A 38 38 GLN HA H 16 4.653 5.045 -0.392 1
1 190 . 17 1 1 A 38 38 GLN C C 16 176.655 175.096 1.559 1
1 191 . 17 1 1 A 38 38 GLN CA C 16 53.230 54.390 -1.160 1
1 192 . 17 1 1 A 38 38 GLN CB C 16 31.390 30.613 0.777 1
1 194 . 17 1 1 A 38 38 GLN N N 16 121.123 123.018 -1.895 1
1 196 . 17 1 1 A 39 39 THR H H 17 8.733 8.704 0.029 1
1 197 . 17 1 1 A 39 39 THR HA H 17 4.936 4.607 0.329 1
1 202 . 17 1 1 A 39 39 THR C C 17 176.173 173.883 2.290 1
1 203 . 17 1 1 A 39 39 THR CA C 17 62.170 61.432 0.738 1
1 204 . 17 1 1 A 39 39 THR CB C 17 69.300 68.452 0.848 1
1 206 . 17 1 1 A 39 39 THR N N 17 120.324 117.467 2.857 1
1 207 . 17 1 1 A 40 40 ILE H H 18 9.424 8.712 0.712 1
1 208 . 17 1 1 A 40 40 ILE HA H 18 4.592 4.645 -0.053 1
1 218 . 17 1 1 A 40 40 ILE C C 18 176.184 175.659 0.525 1
1 219 . 17 1 1 A 40 40 ILE CA C 18 58.200 60.306 -2.106 1
1 220 . 17 1 1 A 40 40 ILE CB C 18 41.130 38.665 2.465 1
1 224 . 17 1 1 A 40 40 ILE N N 18 126.321 128.344 -2.023 1
1 225 . 17 1 1 A 41 41 SER H H 19 8.518 8.605 -0.087 1
1 226 . 17 1 1 A 41 41 SER HA H 19 4.939 4.532 0.407 1
1 229 . 17 1 1 A 41 41 SER C C 19 175.210 174.650 0.560 1
1 230 . 17 1 1 A 41 41 SER CA C 19 57.160 58.708 -1.548 1
1 231 . 17 1 1 A 41 41 SER CB C 19 63.660 63.391 0.269 1
1 232 . 17 1 1 A 41 41 SER N N 19 120.959 122.829 -1.870 1
1 233 . 17 1 1 A 42 42 CYS H H 20 8.444 8.681 -0.237 1
1 234 . 17 1 1 A 42 42 CYS HA H 20 3.546 5.267 -1.721 1
1 237 . 17 1 1 A 42 42 CYS CA C 20 55.410 56.411 -1.001 1
1 238 . 17 1 1 A 42 42 CYS CB C 20 28.570 32.464 -3.894 1
1 239 . 17 1 1 A 42 42 CYS N N 20 120.248 121.385 -1.137 1
1 240 . 17 1 1 A 43 43 PHE HA H 21 4.580 4.831 -0.251 1
1 248 . 17 1 1 A 43 43 PHE C C 21 177.980 175.755 2.225 1
1 249 . 17 1 1 A 43 43 PHE CA C 21 56.490 55.935 0.555 1
1 250 . 17 1 1 A 43 43 PHE CB C 21 42.360 41.776 0.584 1
1 254 . 17 1 1 A 44 44 LEU H H 22 9.159 8.846 0.313 1
1 255 . 17 1 1 A 44 44 LEU HA H 22 3.779 4.118 -0.339 1
1 265 . 17 1 1 A 44 44 LEU C C 22 178.177 178.593 -0.416 1
1 266 . 17 1 1 A 44 44 LEU CA C 22 56.980 56.761 0.219 1
1 267 . 17 1 1 A 44 44 LEU CB C 22 42.090 41.456 0.634 1
1 271 . 17 1 1 A 44 44 LEU N N 22 120.130 125.168 -5.038 1
1 272 . 17 1 1 A 45 45 ASN H H 23 8.058 8.236 -0.178 1
1 273 . 17 1 1 A 45 45 ASN HA H 23 4.650 4.261 0.389 1
1 276 . 17 1 1 A 45 45 ASN C C 23 178.364 175.727 2.637 1
1 277 . 17 1 1 A 45 45 ASN CA C 23 52.880 56.216 -3.336 1
1 278 . 17 1 1 A 45 45 ASN CB C 23 37.320 38.999 -1.679 1
1 279 . 17 1 1 A 45 45 ASN N N 23 112.017 116.883 -4.866 1
1 280 . 17 1 1 A 46 46 TRP H H 24 7.857 7.583 0.274 1
1 281 . 17 1 1 A 46 46 TRP HA H 24 4.712 4.756 -0.044 1
1 290 . 17 1 1 A 46 46 TRP C C 24 178.802 176.449 2.353 1
1 291 . 17 1 1 A 46 46 TRP CA C 24 57.240 57.768 -0.528 1
1 292 . 17 1 1 A 46 46 TRP CB C 24 29.250 29.958 -0.708 1
1 298 . 17 1 1 A 46 46 TRP N N 24 121.301 118.060 3.241 1
1 300 . 17 1 1 A 47 47 THR H H 25 7.473 9.026 -1.553 1
1 301 . 17 1 1 A 47 47 THR HA H 25 5.097 4.687 0.410 1
1 306 . 17 1 1 A 47 47 THR C C 25 178.375 176.314 2.061 1
1 307 . 17 1 1 A 47 47 THR CA C 25 59.940 60.894 -0.954 1
1 308 . 17 1 1 A 47 47 THR CB C 25 71.080 71.141 -0.061 1
1 310 . 17 1 1 A 47 47 THR N N 25 109.055 114.536 -5.481 1
1 311 . 17 1 1 A 48 48 VAL H H 26 8.349 8.766 -0.417 1
1 312 . 17 1 1 A 48 48 VAL HA H 26 3.433 3.530 -0.097 1
1 320 . 17 1 1 A 48 48 VAL C C 26 180.548 178.254 2.294 1
1 321 . 17 1 1 A 48 48 VAL CA C 26 66.460 66.398 0.062 1
1 322 . 17 1 1 A 48 48 VAL CB C 26 31.540 31.529 0.011 1
1 325 . 17 1 1 A 48 48 VAL N N 26 123.048 122.343 0.705 1
1 326 . 17 1 1 A 49 49 GLY H H 27 9.099 8.060 1.039 1
1 327 . 17 1 1 A 49 49 GLY HA2 H 27 3.895 3.744 0.151 1
1 328 . 17 1 1 A 49 49 GLY HA3 H 27 3.512 3.752 -0.240 1
1 329 . 17 1 1 A 49 49 GLY C C 27 177.909 175.603 2.306 1
1 330 . 17 1 1 A 49 49 GLY CA C 27 47.100 47.334 -0.234 1
1 331 . 17 1 1 A 49 49 GLY N N 27 107.086 107.163 -0.077 1
1 332 . 17 1 1 A 50 50 LYS H H 28 7.937 8.050 -0.113 1
1 333 . 17 1 1 A 50 50 LYS HA H 28 3.907 3.946 -0.039 1
1 342 . 17 1 1 A 50 50 LYS C C 28 180.866 179.401 1.465 1
1 343 . 17 1 1 A 50 50 LYS CA C 28 59.000 59.338 -0.338 1
1 344 . 17 1 1 A 50 50 LYS CB C 28 31.730 32.211 -0.481 1
1 348 . 17 1 1 A 50 50 LYS N N 28 125.227 122.478 2.749 1
1 349 . 17 1 1 A 51 51 LEU H H 29 8.364 8.035 0.329 1
1 350 . 17 1 1 A 51 51 LEU HA H 29 4.357 4.167 0.190 1
1 360 . 17 1 1 A 51 51 LEU C C 29 180.056 178.477 1.579 1
1 361 . 17 1 1 A 51 51 LEU CA C 29 58.360 57.255 1.105 1
1 362 . 17 1 1 A 51 51 LEU CB C 29 41.510 41.680 -0.170 1
1 366 . 17 1 1 A 51 51 LEU N N 29 122.366 121.177 1.189 1
1 367 . 17 1 1 A 52 52 LYS H H 30 8.711 8.035 0.676 1
1 368 . 17 1 1 A 52 52 LYS HA H 30 4.542 4.072 0.470 1
1 377 . 17 1 1 A 52 52 LYS C C 30 182.257 179.349 2.908 1
1 378 . 17 1 1 A 52 52 LYS CA C 30 59.310 59.144 0.166 1
1 379 . 17 1 1 A 52 52 LYS CB C 30 33.380 31.832 1.548 1
1 383 . 17 1 1 A 52 52 LYS N N 30 119.050 120.283 -1.233 1
1 384 . 17 1 1 A 53 53 THR H H 31 8.130 8.064 0.066 1
1 385 . 17 1 1 A 53 53 THR HA H 31 3.655 3.948 -0.293 1
1 390 . 17 1 1 A 53 53 THR C C 31 179.092 175.965 3.127 1
1 391 . 17 1 1 A 53 53 THR CA C 31 66.890 66.696 0.194 1
1 392 . 17 1 1 A 53 53 THR CB C 31 68.370 68.193 0.177 1
1 394 . 17 1 1 A 53 53 THR N N 31 118.206 117.488 0.718 1
1 395 . 17 1 1 A 54 54 HIS H H 32 8.310 7.694 0.616 1
1 396 . 17 1 1 A 54 54 HIS HA H 32 4.566 4.179 0.387 1
1 400 . 17 1 1 A 54 54 HIS C C 32 180.735 176.706 4.029 1
1 401 . 17 1 1 A 54 54 HIS CA C 32 60.010 60.195 -0.185 1
1 402 . 17 1 1 A 54 54 HIS CB C 32 31.620 29.436 2.184 1
1 404 . 17 1 1 A 54 54 HIS N N 32 124.425 122.545 1.880 1
1 405 . 17 1 1 A 55 55 LEU H H 33 9.036 8.307 0.729 1
1 406 . 17 1 1 A 55 55 LEU HA H 33 3.958 3.927 0.031 1
1 416 . 17 1 1 A 55 55 LEU C C 33 180.877 179.579 1.298 1
1 417 . 17 1 1 A 55 55 LEU CA C 33 58.180 57.832 0.348 1
1 418 . 17 1 1 A 55 55 LEU CB C 33 40.710 41.194 -0.484 1
1 422 . 17 1 1 A 55 55 LEU N N 33 119.746 120.372 -0.626 1
1 423 . 17 1 1 A 56 56 SER H H 34 8.266 7.945 0.321 1
1 424 . 17 1 1 A 56 56 SER HA H 34 4.159 4.196 -0.037 1
1 427 . 17 1 1 A 56 56 SER C C 34 176.015 175.892 0.123 1
1 428 . 17 1 1 A 56 56 SER CA C 34 61.590 60.995 0.595 1
1 429 . 17 1 1 A 56 56 SER CB C 34 63.600 63.074 0.526 1
1 430 . 17 1 1 A 56 56 SER N N 34 114.534 114.156 0.378 1
1 431 . 17 1 1 A 57 57 ASN H H 35 7.273 7.407 -0.134 1
1 432 . 17 1 1 A 57 57 ASN HA H 35 4.799 4.806 -0.007 1
1 437 . 17 1 1 A 57 57 ASN C C 35 179.004 176.910 2.094 1
1 438 . 17 1 1 A 57 57 ASN CA C 35 54.520 55.027 -0.507 1
1 439 . 17 1 1 A 57 57 ASN CB C 35 40.890 39.586 1.304 1
1 440 . 17 1 1 A 57 57 ASN N N 35 115.349 118.633 -3.284 1
1 442 . 17 1 1 A 58 58 VAL H H 36 7.810 7.108 0.702 1
1 443 . 17 1 1 A 58 58 VAL HA H 36 4.309 4.257 0.052 1
1 451 . 17 1 1 A 58 58 VAL C C 36 178.446 175.716 2.730 1
1 452 . 17 1 1 A 58 58 VAL CA C 36 62.350 63.064 -0.714 1
1 453 . 17 1 1 A 58 58 VAL CB C 36 32.980 32.674 0.306 1
1 456 . 17 1 1 A 58 58 VAL N N 36 110.874 109.831 1.043 1
1 457 . 17 1 1 A 59 59 TYR H H 37 8.896 7.838 1.058 1
1 458 . 17 1 1 A 59 59 TYR HA H 37 4.482 4.699 -0.217 1
1 465 . 17 1 1 A 59 59 TYR CA C 37 57.740 57.273 0.467 1
1 466 . 17 1 1 A 59 59 TYR CB C 37 40.440 39.897 0.543 1
1 469 . 17 1 1 A 59 59 TYR N N 37 127.773 124.786 2.987 1
1 470 . 17 1 1 A 60 60 PRO HA H 38 3.956 4.262 -0.306 1
1 477 . 17 1 1 A 60 60 PRO C C 38 178.511 178.263 0.248 1
1 478 . 17 1 1 A 60 60 PRO CA C 38 65.560 65.992 -0.432 1
1 479 . 17 1 1 A 60 60 PRO CB C 38 31.860 31.659 0.201 1
1 482 . 17 1 1 A 61 61 SER H H 39 6.571 8.247 -1.676 1
1 483 . 17 1 1 A 61 61 SER HA H 39 4.238 4.423 -0.185 1
1 486 . 17 1 1 A 61 61 SER C C 39 175.774 174.138 1.636 1
1 487 . 17 1 1 A 61 61 SER CA C 39 58.290 60.990 -2.700 1
1 488 . 17 1 1 A 61 61 SER CB C 39 63.420 63.798 -0.378 1
1 489 . 17 1 1 A 61 61 SER N N 39 108.382 111.822 -3.440 1
1 490 . 17 1 1 A 62 62 LYS H H 40 8.384 7.916 0.468 1
1 491 . 17 1 1 A 62 62 LYS HA H 40 3.922 4.040 -0.118 1
1 500 . 17 1 1 A 62 62 LYS CA C 40 56.710 56.724 -0.014 1
1 501 . 17 1 1 A 62 62 LYS CB C 40 30.640 30.732 -0.092 1
1 505 . 17 1 1 A 62 62 LYS N N 40 118.443 119.409 -0.966 1
1 506 . 17 1 1 A 63 63 PRO HA H 41 4.284 4.652 -0.368 1
1 513 . 17 1 1 A 63 63 PRO C C 41 179.464 175.821 3.643 1
1 514 . 17 1 1 A 63 63 PRO CA C 41 62.620 62.215 0.405 1
1 515 . 17 1 1 A 63 63 PRO CB C 41 31.640 32.617 -0.977 1
1 518 . 17 1 1 A 64 64 LEU H H 42 8.689 8.446 0.243 1
1 519 . 17 1 1 A 64 64 LEU HA H 42 4.212 4.387 -0.175 1
1 529 . 17 1 1 A 64 64 LEU C C 42 182.476 178.833 3.643 1
1 530 . 17 1 1 A 64 64 LEU CA C 42 54.750 54.256 0.494 1
1 531 . 17 1 1 A 64 64 LEU CB C 42 41.360 41.458 -0.098 1
1 535 . 17 1 1 A 64 64 LEU N N 42 122.677 121.293 1.384 1
1 536 . 17 1 1 A 65 65 THR H H 43 8.858 8.786 0.072 1
1 537 . 17 1 1 A 65 65 THR HA H 43 3.779 3.909 -0.130 1
1 542 . 17 1 1 A 65 65 THR C C 43 180.078 175.844 4.234 1
1 543 . 17 1 1 A 65 65 THR CA C 43 66.310 66.069 0.241 1
1 544 . 17 1 1 A 65 65 THR CB C 43 68.100 68.441 -0.341 1
1 546 . 17 1 1 A 65 65 THR N N 43 116.000 118.416 -2.416 1
1 547 . 17 1 1 A 66 66 LYS H H 44 7.921 8.411 -0.490 1
1 548 . 17 1 1 A 66 66 LYS HA H 44 4.125 4.063 0.062 1
1 557 . 17 1 1 A 66 66 LYS C C 44 177.953 178.077 -0.124 1
1 558 . 17 1 1 A 66 66 LYS CA C 44 57.730 58.629 -0.899 1
1 559 . 17 1 1 A 66 66 LYS CB C 44 31.890 31.757 0.133 1
1 563 . 17 1 1 A 66 66 LYS N N 44 117.614 120.021 -2.407 1
1 564 . 17 1 1 A 67 67 ASP H H 45 7.394 7.553 -0.159 1
1 565 . 17 1 1 A 67 67 ASP HA H 45 4.746 4.595 0.151 1
1 568 . 17 1 1 A 67 67 ASP C C 45 177.876 176.238 1.638 1
1 569 . 17 1 1 A 67 67 ASP CA C 45 54.350 56.233 -1.883 1
1 570 . 17 1 1 A 67 67 ASP CB C 45 42.090 41.788 0.302 1
1 571 . 17 1 1 A 67 67 ASP N N 45 118.443 119.543 -1.100 1
1 572 . 17 1 1 A 68 68 GLN H H 46 7.143 7.653 -0.510 1
1 573 . 17 1 1 A 68 68 GLN HA H 46 4.054 4.415 -0.361 1
1 578 . 17 1 1 A 68 68 GLN C C 46 177.515 175.656 1.859 1
1 579 . 17 1 1 A 68 68 GLN CA C 46 56.750 55.882 0.868 1
1 580 . 17 1 1 A 68 68 GLN CB C 46 31.150 30.168 0.982 1
1 582 . 17 1 1 A 68 68 GLN N N 46 120.205 118.127 2.078 1
1 583 . 17 1 1 A 69 69 ARG H H 47 8.269 8.755 -0.486 1
1 584 . 17 1 1 A 69 69 ARG HA H 47 4.334 5.032 -0.698 1
1 591 . 17 1 1 A 69 69 ARG C C 47 175.708 175.141 0.567 1
1 592 . 17 1 1 A 69 69 ARG CA C 47 55.010 54.287 0.723 1
1 593 . 17 1 1 A 69 69 ARG CB C 47 31.390 33.827 -2.437 1
1 596 . 17 1 1 A 69 69 ARG N N 47 124.781 123.424 1.357 1
1 597 . 17 1 1 A 70 70 LEU H H 48 8.254 8.897 -0.643 1
1 598 . 17 1 1 A 70 70 LEU HA H 48 5.444 5.276 0.168 1
1 608 . 17 1 1 A 70 70 LEU C C 48 177.175 175.453 1.722 1
1 609 . 17 1 1 A 70 70 LEU CA C 48 52.810 53.715 -0.905 1
1 610 . 17 1 1 A 70 70 LEU CB C 48 45.100 44.401 0.699 1
1 614 . 17 1 1 A 70 70 LEU N N 48 122.071 121.547 0.524 1
1 615 . 17 1 1 A 71 71 VAL H H 49 9.251 9.170 0.081 1
1 616 . 17 1 1 A 71 71 VAL HA H 49 4.889 5.050 -0.161 1
1 624 . 17 1 1 A 71 71 VAL C C 49 177.208 174.541 2.667 1
1 625 . 17 1 1 A 71 71 VAL CA C 49 60.570 60.963 -0.393 1
1 626 . 17 1 1 A 71 71 VAL CB C 49 34.580 32.995 1.585 1
1 629 . 17 1 1 A 71 71 VAL N N 49 122.797 126.326 -3.529 1
1 630 . 17 1 1 A 72 72 TYR H H 50 8.684 9.166 -0.482 1
1 631 . 17 1 1 A 72 72 TYR HA H 50 5.155 5.011 0.144 1
1 638 . 17 1 1 A 72 72 TYR CA C 50 56.060 57.436 -1.376 1
1 639 . 17 1 1 A 72 72 TYR CB C 50 43.140 41.586 1.554 1
1 642 . 17 1 1 A 72 72 TYR N N 50 126.349 128.042 -1.693 1
1 643 . 17 1 1 A 73 73 SER HA H 51 3.673 3.876 -0.203 1
1 646 . 17 1 1 A 73 73 SER C C 51 177.153 173.588 3.565 1
1 647 . 17 1 1 A 73 73 SER CA C 51 58.000 58.943 -0.943 1
1 648 . 17 1 1 A 73 73 SER CB C 51 62.190 61.832 0.358 1
1 649 . 17 1 1 A 74 74 GLY H H 52 8.209 8.481 -0.272 1
1 650 . 17 1 1 A 74 74 GLY HA2 H 52 4.030 3.773 0.257 1
1 651 . 17 1 1 A 74 74 GLY HA3 H 52 3.346 3.790 -0.444 1
1 652 . 17 1 1 A 74 74 GLY C C 52 175.259 173.530 1.729 1
1 653 . 17 1 1 A 74 74 GLY CA C 52 44.990 45.440 -0.450 1
1 654 . 17 1 1 A 74 74 GLY N N 52 103.501 106.009 -2.508 1
1 655 . 17 1 1 A 75 75 ARG H H 53 7.816 7.471 0.345 1
1 656 . 17 1 1 A 75 75 ARG HA H 53 4.555 4.880 -0.325 1
1 663 . 17 1 1 A 75 75 ARG C C 53 176.321 174.681 1.640 1
1 664 . 17 1 1 A 75 75 ARG CA C 53 54.590 54.106 0.484 1
1 665 . 17 1 1 A 75 75 ARG CB C 53 32.620 33.697 -1.077 1
1 668 . 17 1 1 A 75 75 ARG N N 53 121.834 115.858 5.976 1
1 669 . 17 1 1 A 76 76 LEU H H 54 8.470 8.404 0.066 1
1 670 . 17 1 1 A 76 76 LEU HA H 54 4.500 4.676 -0.176 1
1 680 . 17 1 1 A 76 76 LEU C C 54 179.639 174.900 4.739 1
1 681 . 17 1 1 A 76 76 LEU CA C 54 55.260 54.924 0.336 1
1 682 . 17 1 1 A 76 76 LEU CB C 54 42.210 43.730 -1.520 1
1 686 . 17 1 1 A 76 76 LEU N N 54 127.239 124.492 2.747 1
1 687 . 17 1 1 A 77 77 LEU H H 55 8.863 8.995 -0.132 1
1 688 . 17 1 1 A 77 77 LEU HA H 55 4.605 4.827 -0.222 1
1 698 . 17 1 1 A 77 77 LEU CA C 55 52.230 51.352 0.878 1
1 699 . 17 1 1 A 77 77 LEU CB C 55 43.090 42.543 0.547 1
1 703 . 17 1 1 A 77 77 LEU N N 55 127.741 128.125 -0.384 1
1 704 . 17 1 1 A 78 78 PRO HA H 56 4.708 4.598 0.110 1
1 711 . 17 1 1 A 78 78 PRO C C 56 179.519 177.072 2.447 1
1 712 . 17 1 1 A 78 78 PRO CA C 56 61.780 62.501 -0.721 1
1 713 . 17 1 1 A 78 78 PRO CB C 56 32.600 32.594 0.006 1
1 716 . 17 1 1 A 79 79 ASP H H 57 8.109 8.630 -0.521 1
1 717 . 17 1 1 A 79 79 ASP HA H 57 4.122 4.176 -0.054 1
1 720 . 17 1 1 A 79 79 ASP C C 57 179.782 177.459 2.323 1
1 721 . 17 1 1 A 79 79 ASP CA C 57 57.380 56.195 1.185 1
1 722 . 17 1 1 A 79 79 ASP CB C 57 41.200 40.095 1.105 1
1 723 . 17 1 1 A 79 79 ASP N N 57 116.504 124.104 -7.600 1
1 724 . 17 1 1 A 80 80 HIS H H 58 7.815 7.578 0.237 1
1 725 . 17 1 1 A 80 80 HIS HA H 58 4.519 4.465 0.054 1
1 730 . 17 1 1 A 80 80 HIS C C 58 177.668 175.238 2.430 1
1 731 . 17 1 1 A 80 80 HIS CA C 58 57.110 57.617 -0.507 1
1 732 . 17 1 1 A 80 80 HIS CB C 58 30.770 29.558 1.212 1
1 735 . 17 1 1 A 80 80 HIS N N 58 112.239 115.174 -2.935 1
1 736 . 17 1 1 A 81 81 LEU H H 59 6.281 6.764 -0.483 1
1 737 . 17 1 1 A 81 81 LEU HA H 59 4.157 4.834 -0.677 1
1 747 . 17 1 1 A 81 81 LEU C C 59 178.501 176.586 1.915 1
1 748 . 17 1 1 A 81 81 LEU CA C 59 53.970 52.870 1.100 1
1 749 . 17 1 1 A 81 81 LEU CB C 59 43.360 44.522 -1.162 1
1 753 . 17 1 1 A 81 81 LEU N N 59 120.531 117.066 3.465 1
1 754 . 17 1 1 A 82 82 GLN H H 60 8.863 8.874 -0.011 1
1 755 . 17 1 1 A 82 82 GLN HA H 60 4.891 4.359 0.532 1
1 762 . 17 1 1 A 82 82 GLN C C 60 180.417 177.407 3.010 1
1 763 . 17 1 1 A 82 82 GLN CA C 60 54.880 55.663 -0.783 1
1 764 . 17 1 1 A 82 82 GLN CB C 60 31.480 29.152 2.328 1
1 766 . 17 1 1 A 82 82 GLN N N 60 118.014 119.821 -1.807 1
1 768 . 17 1 1 A 83 83 LEU H H 61 8.688 8.363 0.325 1
1 769 . 17 1 1 A 83 83 LEU HA H 61 3.705 3.816 -0.111 1
1 779 . 17 1 1 A 83 83 LEU C C 61 181.775 178.588 3.187 1
1 780 . 17 1 1 A 83 83 LEU CA C 61 58.510 58.048 0.462 1
1 781 . 17 1 1 A 83 83 LEU CB C 61 40.330 41.248 -0.918 1
1 785 . 17 1 1 A 83 83 LEU N N 61 121.910 123.530 -1.620 1
1 786 . 17 1 1 A 84 84 LYS H H 62 8.525 7.839 0.686 1
1 787 . 17 1 1 A 84 84 LYS HA H 62 3.972 4.017 -0.045 1
1 796 . 17 1 1 A 84 84 LYS C C 62 177.865 177.989 -0.124 1
1 797 . 17 1 1 A 84 84 LYS CA C 62 57.690 59.093 -1.403 1
1 798 . 17 1 1 A 84 84 LYS CB C 62 31.440 32.124 -0.684 1
1 802 . 17 1 1 A 84 84 LYS N N 62 115.896 117.603 -1.707 1
1 803 . 17 1 1 A 85 85 ASP H H 63 7.598 7.821 -0.223 1
1 804 . 17 1 1 A 85 85 ASP HA H 63 4.710 4.354 0.356 1
1 807 . 17 1 1 A 85 85 ASP C C 63 177.307 177.594 -0.287 1
1 808 . 17 1 1 A 85 85 ASP CA C 63 55.460 57.504 -2.044 1
1 809 . 17 1 1 A 85 85 ASP CB C 63 42.000 41.470 0.530 1
1 810 . 17 1 1 A 85 85 ASP N N 63 118.917 119.169 -0.252 1
1 811 . 17 1 1 A 86 86 ILE H H 64 7.417 7.302 0.115 1
1 812 . 17 1 1 A 86 86 ILE HA H 64 4.027 4.206 -0.179 1
1 822 . 17 1 1 A 86 86 ILE C C 64 177.055 176.894 0.161 1
1 823 . 17 1 1 A 86 86 ILE CA C 64 62.150 62.582 -0.432 1
1 824 . 17 1 1 A 86 86 ILE CB C 64 42.670 39.007 3.663 1
1 828 . 17 1 1 A 86 86 ILE N N 64 117.599 117.275 0.324 1
1 829 . 17 1 1 A 87 87 LEU H H 65 7.399 7.416 -0.017 1
1 830 . 17 1 1 A 87 87 LEU HA H 65 3.695 3.820 -0.125 1
1 840 . 17 1 1 A 87 87 LEU C C 65 179.409 177.074 2.335 1
1 841 . 17 1 1 A 87 87 LEU CA C 65 55.040 54.084 0.956 1
1 842 . 17 1 1 A 87 87 LEU CB C 65 40.910 40.863 0.047 1
1 846 . 17 1 1 A 87 87 LEU N N 65 116.948 120.259 -3.311 1
1 847 . 17 1 1 A 88 88 ARG H H 66 7.954 7.402 0.552 1
1 848 . 17 1 1 A 88 88 ARG HA H 66 4.227 3.944 0.283 1
1 855 . 17 1 1 A 88 88 ARG C C 66 179.333 178.696 0.637 1
1 856 . 17 1 1 A 88 88 ARG CA C 66 56.960 58.891 -1.931 1
1 857 . 17 1 1 A 88 88 ARG CB C 66 30.570 29.759 0.811 1
1 860 . 17 1 1 A 88 88 ARG N N 66 122.752 121.250 1.502 1
1 861 . 17 1 1 A 89 89 LYS H H 67 8.374 8.112 0.262 1
1 862 . 17 1 1 A 89 89 LYS HA H 67 3.948 4.051 -0.103 1
1 871 . 17 1 1 A 89 89 LYS C C 67 179.278 179.081 0.197 1
1 872 . 17 1 1 A 89 89 LYS CA C 67 58.560 59.536 -0.976 1
1 873 . 17 1 1 A 89 89 LYS CB C 67 32.620 32.222 0.398 1
1 877 . 17 1 1 A 89 89 LYS N N 67 124.661 118.948 5.713 1
1 878 . 17 1 1 A 90 90 GLN H H 68 8.616 8.210 0.406 1
1 879 . 17 1 1 A 90 90 GLN HA H 68 4.169 4.399 -0.230 1
1 886 . 17 1 1 A 90 90 GLN C C 68 177.778 176.264 1.514 1
1 887 . 17 1 1 A 90 90 GLN CA C 68 56.670 55.838 0.832 1
1 888 . 17 1 1 A 90 90 GLN CB C 68 28.230 29.359 -1.129 1
1 890 . 17 1 1 A 90 90 GLN N N 68 115.896 118.234 -2.338 1
1 892 . 17 1 1 A 91 91 ASP H H 69 7.319 8.388 -1.069 1
1 893 . 17 1 1 A 91 91 ASP HA H 69 4.523 4.807 -0.284 1
1 896 . 17 1 1 A 91 91 ASP C C 69 177.164 177.022 0.142 1
1 897 . 17 1 1 A 91 91 ASP CA C 69 54.440 56.383 -1.943 1
1 898 . 17 1 1 A 91 91 ASP CB C 69 41.200 40.496 0.704 1
1 899 . 17 1 1 A 91 91 ASP N N 69 121.181 119.165 2.016 1
1 900 . 17 1 1 A 92 92 GLU H H 70 8.320 8.492 -0.172 1
1 901 . 17 1 1 A 92 92 GLU HA H 70 3.892 4.151 -0.259 1
1 906 . 17 1 1 A 92 92 GLU C C 70 177.657 175.755 1.902 1
1 907 . 17 1 1 A 92 92 GLU CA C 70 57.260 59.188 -1.928 1
1 908 . 17 1 1 A 92 92 GLU CB C 70 30.750 29.842 0.908 1
1 910 . 17 1 1 A 92 92 GLU N N 70 120.205 118.788 1.417 1
1 911 . 17 1 1 A 93 93 TYR H H 71 7.251 7.759 -0.508 1
1 912 . 17 1 1 A 93 93 TYR HA H 71 4.550 5.625 -1.075 1
1 919 . 17 1 1 A 93 93 TYR C C 71 175.861 173.878 1.983 1
1 920 . 17 1 1 A 93 93 TYR CA C 71 55.550 55.353 0.197 1
1 921 . 17 1 1 A 93 93 TYR CB C 71 39.680 42.222 -2.542 1
1 924 . 17 1 1 A 93 93 TYR N N 71 115.349 114.220 1.129 1
1 925 . 17 1 1 A 94 94 HIS H H 72 7.991 8.777 -0.786 1
1 926 . 17 1 1 A 94 94 HIS HA H 72 5.034 5.104 -0.070 1
1 930 . 17 1 1 A 94 94 HIS C C 72 176.157 174.090 2.067 1
1 931 . 17 1 1 A 94 94 HIS CA C 72 54.990 54.175 0.815 1
1 932 . 17 1 1 A 94 94 HIS CB C 72 33.910 32.062 1.848 1
1 934 . 17 1 1 A 94 94 HIS N N 72 120.146 118.586 1.560 1
1 935 . 17 1 1 A 95 95 MET H H 73 9.227 9.074 0.153 1
1 936 . 17 1 1 A 95 95 MET HA H 73 5.306 5.042 0.264 1
1 941 . 17 1 1 A 95 95 MET C C 73 176.891 175.641 1.250 1
1 942 . 17 1 1 A 95 95 MET CA C 73 54.500 54.669 -0.169 1
1 943 . 17 1 1 A 95 95 MET CB C 73 33.690 32.874 0.816 1
1 945 . 17 1 1 A 95 95 MET N N 73 124.691 124.599 0.092 1
1 946 . 17 1 1 A 96 96 VAL H H 74 9.070 8.959 0.111 1
1 947 . 17 1 1 A 96 96 VAL HA H 74 4.719 4.795 -0.076 1
1 955 . 17 1 1 A 96 96 VAL C C 74 175.653 175.511 0.142 1
1 956 . 17 1 1 A 96 96 VAL CA C 74 60.790 60.978 -0.188 1
1 957 . 17 1 1 A 96 96 VAL CB C 74 35.290 34.114 1.176 1
1 960 . 17 1 1 A 96 96 VAL N N 74 125.298 125.025 0.273 1
1 961 . 17 1 1 A 97 97 HIS H H 75 9.197 9.269 -0.072 1
1 962 . 17 1 1 A 97 97 HIS HA H 75 5.213 5.075 0.138 1
1 966 . 17 1 1 A 97 97 HIS C C 75 176.245 175.374 0.871 1
1 967 . 17 1 1 A 97 97 HIS CA C 75 55.800 55.943 -0.143 1
1 968 . 17 1 1 A 97 97 HIS CB C 75 32.170 30.501 1.669 1
1 970 . 17 1 1 A 97 97 HIS N N 75 125.299 126.118 -0.819 1
1 971 . 17 1 1 A 98 98 LEU H H 76 8.423 8.723 -0.300 1
1 972 . 17 1 1 A 98 98 LEU HA H 76 5.059 4.405 0.654 1
1 982 . 17 1 1 A 98 98 LEU C C 76 177.592 175.470 2.122 1
1 983 . 17 1 1 A 98 98 LEU CA C 76 54.150 55.434 -1.284 1
1 984 . 17 1 1 A 98 98 LEU CB C 76 43.540 42.895 0.645 1
1 988 . 17 1 1 A 98 98 LEU N N 76 126.291 126.168 0.123 1
1 13 . 18 1 1 A 24 24 VAL H H 2 8.008 8.049 -0.041 1
1 14 . 18 1 1 A 24 24 VAL HA H 2 4.297 4.687 -0.390 1
1 22 . 18 1 1 A 24 24 VAL C C 2 175.571 174.655 0.916 1
1 23 . 18 1 1 A 24 24 VAL CA C 2 60.030 60.227 -0.197 1
1 24 . 18 1 1 A 24 24 VAL CB C 2 34.710 35.863 -1.153 1
1 27 . 18 1 1 A 24 24 VAL N N 2 118.399 119.336 -0.937 1
1 28 . 18 1 1 A 25 25 THR H H 3 8.520 8.698 -0.178 1
1 29 . 18 1 1 A 25 25 THR HA H 3 4.738 4.601 0.137 1
1 34 . 18 1 1 A 25 25 THR C C 3 175.275 173.117 2.158 1
1 35 . 18 1 1 A 25 25 THR CA C 3 62.350 62.669 -0.319 1
1 36 . 18 1 1 A 25 25 THR CB C 3 69.930 68.582 1.348 1
1 38 . 18 1 1 A 25 25 THR N N 3 121.522 123.385 -1.863 1
1 39 . 18 1 1 A 26 26 LEU H H 4 8.929 9.033 -0.104 1
1 40 . 18 1 1 A 26 26 LEU HA H 4 5.102 4.891 0.211 1
1 50 . 18 1 1 A 26 26 LEU C C 4 176.809 174.953 1.856 1
1 51 . 18 1 1 A 26 26 LEU CA C 4 52.850 53.958 -1.108 1
1 52 . 18 1 1 A 26 26 LEU CB C 4 45.140 43.783 1.357 1
1 56 . 18 1 1 A 26 26 LEU N N 4 127.076 128.984 -1.908 1
1 57 . 18 1 1 A 27 27 ILE H H 5 8.990 8.732 0.258 1
1 58 . 18 1 1 A 27 27 ILE HA H 5 4.682 4.598 0.084 1
1 68 . 18 1 1 A 27 27 ILE C C 5 176.962 175.405 1.557 1
1 69 . 18 1 1 A 27 27 ILE CA C 5 59.810 61.206 -1.396 1
1 70 . 18 1 1 A 27 27 ILE CB C 5 38.590 36.700 1.890 1
1 74 . 18 1 1 A 27 27 ILE N N 5 122.974 127.715 -4.741 1
1 75 . 18 1 1 A 28 28 ILE H H 6 9.288 8.937 0.351 1
1 76 . 18 1 1 A 28 28 ILE HA H 6 5.025 4.509 0.516 1
1 86 . 18 1 1 A 28 28 ILE C C 6 178.889 175.615 3.274 1
1 87 . 18 1 1 A 28 28 ILE CA C 6 57.620 61.024 -3.404 1
1 88 . 18 1 1 A 28 28 ILE CB C 6 36.680 37.668 -0.988 1
1 92 . 18 1 1 A 28 28 ILE N N 6 125.520 129.048 -3.528 1
1 93 . 18 1 1 A 29 29 LYS H H 7 8.832 9.043 -0.211 1
1 94 . 18 1 1 A 29 29 LYS HA H 7 4.597 4.970 -0.373 1
1 103 . 18 1 1 A 29 29 LYS C C 7 176.414 175.396 1.018 1
1 104 . 18 1 1 A 29 29 LYS CA C 7 54.240 55.009 -0.769 1
1 105 . 18 1 1 A 29 29 LYS CB C 7 34.050 33.589 0.461 1
1 109 . 18 1 1 A 29 29 LYS N N 7 130.704 128.082 2.622 1
1 110 . 18 1 1 A 30 30 ALA H H 8 9.021 8.399 0.622 1
1 111 . 18 1 1 A 30 30 ALA HA H 8 5.221 4.531 0.690 1
1 115 . 18 1 1 A 30 30 ALA CA C 8 49.220 50.661 -1.441 1
1 116 . 18 1 1 A 30 30 ALA CB C 8 20.620 19.310 1.310 1
1 117 . 18 1 1 A 30 30 ALA N N 8 126.869 129.137 -2.268 1
1 118 . 18 1 1 A 31 31 PRO HA H 9 4.445 4.378 0.067 1
1 125 . 18 1 1 A 31 31 PRO CA C 9 63.990 65.409 -1.419 1
1 126 . 18 1 1 A 31 31 PRO CB C 9 31.860 31.688 0.172 1
1 129 . 18 1 1 A 32 32 ASN HA H 10 4.531 4.956 -0.425 1
1 134 . 18 1 1 A 32 32 ASN C C 10 176.666 175.112 1.554 1
1 135 . 18 1 1 A 32 32 ASN CA C 10 53.210 53.584 -0.374 1
1 136 . 18 1 1 A 32 32 ASN CB C 10 38.150 39.839 -1.689 1
1 138 . 18 1 1 A 33 33 GLN H H 11 8.123 7.709 0.414 1
1 139 . 18 1 1 A 33 33 GLN N N 11 114.038 119.532 -5.494 1
1 140 . 18 1 1 A 34 34 LYS HA H 12 3.817 3.986 -0.169 1
1 149 . 18 1 1 A 34 34 LYS C C 12 178.002 176.604 1.398 1
1 150 . 18 1 1 A 34 34 LYS CA C 12 58.290 58.130 0.160 1
1 151 . 18 1 1 A 34 34 LYS CB C 12 32.570 31.796 0.774 1
1 155 . 18 1 1 A 35 35 TYR H H 13 6.845 7.709 -0.864 1
1 156 . 18 1 1 A 35 35 TYR HA H 13 4.654 4.663 -0.009 1
1 163 . 18 1 1 A 35 35 TYR CA C 13 56.060 56.362 -0.302 1
1 164 . 18 1 1 A 35 35 TYR CB C 13 41.000 36.035 4.965 1
1 167 . 18 1 1 A 35 35 TYR N N 13 112.988 119.372 -6.384 1
1 168 . 18 1 1 A 36 36 SER HA H 14 4.376 4.968 -0.592 1
1 171 . 18 1 1 A 36 36 SER C C 14 177.170 174.614 2.556 1
1 172 . 18 1 1 A 36 36 SER CA C 14 58.160 56.005 2.155 1
1 173 . 18 1 1 A 36 36 SER CB C 14 64.000 65.567 -1.567 1
1 174 . 18 1 1 A 37 37 ASP H H 15 8.910 9.087 -0.177 1
1 175 . 18 1 1 A 37 37 ASP HA H 15 4.622 4.397 0.225 1
1 178 . 18 1 1 A 37 37 ASP C C 15 178.221 175.583 2.638 1
1 179 . 18 1 1 A 37 37 ASP CA C 15 55.680 55.078 0.602 1
1 180 . 18 1 1 A 37 37 ASP CB C 15 39.640 38.640 1.000 1
1 181 . 18 1 1 A 37 37 ASP N N 15 125.921 125.705 0.216 1
1 182 . 18 1 1 A 38 38 GLN H H 16 8.224 8.189 0.035 1
1 183 . 18 1 1 A 38 38 GLN HA H 16 4.653 4.392 0.261 1
1 190 . 18 1 1 A 38 38 GLN C C 16 176.655 175.620 1.035 1
1 191 . 18 1 1 A 38 38 GLN CA C 16 53.230 55.906 -2.676 1
1 192 . 18 1 1 A 38 38 GLN CB C 16 31.390 29.156 2.234 1
1 194 . 18 1 1 A 38 38 GLN N N 16 121.123 119.082 2.041 1
1 196 . 18 1 1 A 39 39 THR H H 17 8.733 8.535 0.198 1
1 197 . 18 1 1 A 39 39 THR HA H 17 4.936 4.649 0.287 1
1 202 . 18 1 1 A 39 39 THR C C 17 176.173 173.920 2.253 1
1 203 . 18 1 1 A 39 39 THR CA C 17 62.170 61.159 1.011 1
1 204 . 18 1 1 A 39 39 THR CB C 17 69.300 68.936 0.364 1
1 206 . 18 1 1 A 39 39 THR N N 17 120.324 116.717 3.607 1
1 207 . 18 1 1 A 40 40 ILE H H 18 9.424 9.183 0.241 1
1 208 . 18 1 1 A 40 40 ILE HA H 18 4.592 4.706 -0.114 1
1 218 . 18 1 1 A 40 40 ILE C C 18 176.184 175.094 1.090 1
1 219 . 18 1 1 A 40 40 ILE CA C 18 58.200 60.085 -1.885 1
1 220 . 18 1 1 A 40 40 ILE CB C 18 41.130 38.549 2.581 1
1 224 . 18 1 1 A 40 40 ILE N N 18 126.321 128.237 -1.916 1
1 225 . 18 1 1 A 41 41 SER H H 19 8.518 8.686 -0.168 1
1 226 . 18 1 1 A 41 41 SER HA H 19 4.939 4.603 0.336 1
1 229 . 18 1 1 A 41 41 SER C C 19 175.210 174.353 0.857 1
1 230 . 18 1 1 A 41 41 SER CA C 19 57.160 58.272 -1.112 1
1 231 . 18 1 1 A 41 41 SER CB C 19 63.660 63.141 0.519 1
1 232 . 18 1 1 A 41 41 SER N N 19 120.959 122.132 -1.173 1
1 233 . 18 1 1 A 42 42 CYS H H 20 8.444 8.855 -0.411 1
1 234 . 18 1 1 A 42 42 CYS HA H 20 3.546 5.314 -1.768 1
1 237 . 18 1 1 A 42 42 CYS CA C 20 55.410 56.290 -0.880 1
1 238 . 18 1 1 A 42 42 CYS CB C 20 28.570 31.619 -3.049 1
1 239 . 18 1 1 A 42 42 CYS N N 20 120.248 122.802 -2.554 1
1 240 . 18 1 1 A 43 43 PHE HA H 21 4.580 4.836 -0.256 1
1 248 . 18 1 1 A 43 43 PHE C C 21 177.980 175.671 2.309 1
1 249 . 18 1 1 A 43 43 PHE CA C 21 56.490 55.850 0.640 1
1 250 . 18 1 1 A 43 43 PHE CB C 21 42.360 41.968 0.392 1
1 254 . 18 1 1 A 44 44 LEU H H 22 9.159 8.760 0.399 1
1 255 . 18 1 1 A 44 44 LEU HA H 22 3.779 4.193 -0.414 1
1 265 . 18 1 1 A 44 44 LEU C C 22 178.177 177.881 0.296 1
1 266 . 18 1 1 A 44 44 LEU CA C 22 56.980 55.618 1.362 1
1 267 . 18 1 1 A 44 44 LEU CB C 22 42.090 41.507 0.583 1
1 271 . 18 1 1 A 44 44 LEU N N 22 120.130 124.576 -4.446 1
1 272 . 18 1 1 A 45 45 ASN H H 23 8.058 7.870 0.188 1
1 273 . 18 1 1 A 45 45 ASN HA H 23 4.650 4.238 0.412 1
1 276 . 18 1 1 A 45 45 ASN C C 23 178.364 176.472 1.892 1
1 277 . 18 1 1 A 45 45 ASN CA C 23 52.880 56.242 -3.362 1
1 278 . 18 1 1 A 45 45 ASN CB C 23 37.320 37.929 -0.609 1
1 279 . 18 1 1 A 45 45 ASN N N 23 112.017 115.903 -3.886 1
1 280 . 18 1 1 A 46 46 TRP H H 24 7.857 7.401 0.456 1
1 281 . 18 1 1 A 46 46 TRP HA H 24 4.712 4.806 -0.094 1
1 290 . 18 1 1 A 46 46 TRP C C 24 178.802 176.235 2.567 1
1 291 . 18 1 1 A 46 46 TRP CA C 24 57.240 57.425 -0.185 1
1 292 . 18 1 1 A 46 46 TRP CB C 24 29.250 30.830 -1.580 1
1 298 . 18 1 1 A 46 46 TRP N N 24 121.301 118.762 2.539 1
1 300 . 18 1 1 A 47 47 THR H H 25 7.473 8.994 -1.521 1
1 301 . 18 1 1 A 47 47 THR HA H 25 5.097 4.731 0.366 1
1 306 . 18 1 1 A 47 47 THR C C 25 178.375 176.352 2.023 1
1 307 . 18 1 1 A 47 47 THR CA C 25 59.940 60.689 -0.749 1
1 308 . 18 1 1 A 47 47 THR CB C 25 71.080 71.288 -0.208 1
1 310 . 18 1 1 A 47 47 THR N N 25 109.055 113.874 -4.819 1
1 311 . 18 1 1 A 48 48 VAL H H 26 8.349 8.741 -0.392 1
1 312 . 18 1 1 A 48 48 VAL HA H 26 3.433 3.489 -0.056 1
1 320 . 18 1 1 A 48 48 VAL C C 26 180.548 178.334 2.214 1
1 321 . 18 1 1 A 48 48 VAL CA C 26 66.460 66.503 -0.043 1
1 322 . 18 1 1 A 48 48 VAL CB C 26 31.540 31.513 0.027 1
1 325 . 18 1 1 A 48 48 VAL N N 26 123.048 122.214 0.834 1
1 326 . 18 1 1 A 49 49 GLY H H 27 9.099 8.231 0.868 1
1 327 . 18 1 1 A 49 49 GLY HA2 H 27 3.895 3.756 0.139 1
1 328 . 18 1 1 A 49 49 GLY HA3 H 27 3.512 3.763 -0.251 1
1 329 . 18 1 1 A 49 49 GLY C C 27 177.909 175.607 2.302 1
1 330 . 18 1 1 A 49 49 GLY CA C 27 47.100 47.279 -0.179 1
1 331 . 18 1 1 A 49 49 GLY N N 27 107.086 107.187 -0.101 1
1 332 . 18 1 1 A 50 50 LYS H H 28 7.937 7.609 0.328 1
1 333 . 18 1 1 A 50 50 LYS HA H 28 3.907 3.956 -0.049 1
1 342 . 18 1 1 A 50 50 LYS C C 28 180.866 179.360 1.506 1
1 343 . 18 1 1 A 50 50 LYS CA C 28 59.000 59.364 -0.364 1
1 344 . 18 1 1 A 50 50 LYS CB C 28 31.730 32.210 -0.480 1
1 348 . 18 1 1 A 50 50 LYS N N 28 125.227 122.275 2.952 1
1 349 . 18 1 1 A 51 51 LEU H H 29 8.364 7.890 0.474 1
1 350 . 18 1 1 A 51 51 LEU HA H 29 4.357 4.217 0.140 1
1 360 . 18 1 1 A 51 51 LEU C C 29 180.056 178.458 1.598 1
1 361 . 18 1 1 A 51 51 LEU CA C 29 58.360 57.594 0.766 1
1 362 . 18 1 1 A 51 51 LEU CB C 29 41.510 42.105 -0.595 1
1 366 . 18 1 1 A 51 51 LEU N N 29 122.366 120.947 1.419 1
1 367 . 18 1 1 A 52 52 LYS H H 30 8.711 8.156 0.555 1
1 368 . 18 1 1 A 52 52 LYS HA H 30 4.542 4.075 0.467 1
1 377 . 18 1 1 A 52 52 LYS C C 30 182.257 179.510 2.747 1
1 378 . 18 1 1 A 52 52 LYS CA C 30 59.310 59.160 0.150 1
1 379 . 18 1 1 A 52 52 LYS CB C 30 33.380 31.822 1.558 1
1 383 . 18 1 1 A 52 52 LYS N N 30 119.050 119.614 -0.564 1
1 384 . 18 1 1 A 53 53 THR H H 31 8.130 7.952 0.178 1
1 385 . 18 1 1 A 53 53 THR HA H 31 3.655 4.037 -0.382 1
1 390 . 18 1 1 A 53 53 THR C C 31 179.092 175.942 3.150 1
1 391 . 18 1 1 A 53 53 THR CA C 31 66.890 66.670 0.220 1
1 392 . 18 1 1 A 53 53 THR CB C 31 68.370 68.143 0.227 1
1 394 . 18 1 1 A 53 53 THR N N 31 118.206 117.234 0.972 1
1 395 . 18 1 1 A 54 54 HIS H H 32 8.310 7.712 0.598 1
1 396 . 18 1 1 A 54 54 HIS HA H 32 4.566 4.186 0.380 1
1 400 . 18 1 1 A 54 54 HIS C C 32 180.735 177.032 3.703 1
1 401 . 18 1 1 A 54 54 HIS CA C 32 60.010 60.202 -0.192 1
1 402 . 18 1 1 A 54 54 HIS CB C 32 31.620 29.462 2.158 1
1 404 . 18 1 1 A 54 54 HIS N N 32 124.425 122.659 1.766 1
1 405 . 18 1 1 A 55 55 LEU H H 33 9.036 8.330 0.706 1
1 406 . 18 1 1 A 55 55 LEU HA H 33 3.958 3.813 0.145 1
1 416 . 18 1 1 A 55 55 LEU C C 33 180.877 179.369 1.508 1
1 417 . 18 1 1 A 55 55 LEU CA C 33 58.180 57.762 0.418 1
1 418 . 18 1 1 A 55 55 LEU CB C 33 40.710 41.475 -0.765 1
1 422 . 18 1 1 A 55 55 LEU N N 33 119.746 120.562 -0.816 1
1 423 . 18 1 1 A 56 56 SER H H 34 8.266 7.938 0.328 1
1 424 . 18 1 1 A 56 56 SER HA H 34 4.159 4.187 -0.028 1
1 427 . 18 1 1 A 56 56 SER C C 34 176.015 175.763 0.252 1
1 428 . 18 1 1 A 56 56 SER CA C 34 61.590 60.984 0.606 1
1 429 . 18 1 1 A 56 56 SER CB C 34 63.600 63.027 0.573 1
1 430 . 18 1 1 A 56 56 SER N N 34 114.534 114.084 0.450 1
1 431 . 18 1 1 A 57 57 ASN H H 35 7.273 7.454 -0.181 1
1 432 . 18 1 1 A 57 57 ASN HA H 35 4.799 4.748 0.051 1
1 437 . 18 1 1 A 57 57 ASN C C 35 179.004 177.057 1.947 1
1 438 . 18 1 1 A 57 57 ASN CA C 35 54.520 55.080 -0.560 1
1 439 . 18 1 1 A 57 57 ASN CB C 35 40.890 39.540 1.350 1
1 440 . 18 1 1 A 57 57 ASN N N 35 115.349 118.635 -3.286 1
1 442 . 18 1 1 A 58 58 VAL H H 36 7.810 7.075 0.735 1
1 443 . 18 1 1 A 58 58 VAL HA H 36 4.309 4.154 0.155 1
1 451 . 18 1 1 A 58 58 VAL C C 36 178.446 175.496 2.950 1
1 452 . 18 1 1 A 58 58 VAL CA C 36 62.350 62.753 -0.403 1
1 453 . 18 1 1 A 58 58 VAL CB C 36 32.980 32.138 0.842 1
1 456 . 18 1 1 A 58 58 VAL N N 36 110.874 109.848 1.026 1
1 457 . 18 1 1 A 59 59 TYR H H 37 8.896 7.734 1.162 1
1 458 . 18 1 1 A 59 59 TYR HA H 37 4.482 4.631 -0.149 1
1 465 . 18 1 1 A 59 59 TYR CA C 37 57.740 56.888 0.852 1
1 466 . 18 1 1 A 59 59 TYR CB C 37 40.440 39.845 0.595 1
1 469 . 18 1 1 A 59 59 TYR N N 37 127.773 124.504 3.269 1
1 470 . 18 1 1 A 60 60 PRO HA H 38 3.956 4.178 -0.222 1
1 477 . 18 1 1 A 60 60 PRO C C 38 178.511 177.728 0.783 1
1 478 . 18 1 1 A 60 60 PRO CA C 38 65.560 64.967 0.593 1
1 479 . 18 1 1 A 60 60 PRO CB C 38 31.860 31.227 0.633 1
1 482 . 18 1 1 A 61 61 SER H H 39 6.571 7.480 -0.909 1
1 483 . 18 1 1 A 61 61 SER HA H 39 4.238 4.420 -0.182 1
1 486 . 18 1 1 A 61 61 SER C C 39 175.774 174.090 1.684 1
1 487 . 18 1 1 A 61 61 SER CA C 39 58.290 59.995 -1.705 1
1 488 . 18 1 1 A 61 61 SER CB C 39 63.420 63.861 -0.441 1
1 489 . 18 1 1 A 61 61 SER N N 39 108.382 111.511 -3.129 1
1 490 . 18 1 1 A 62 62 LYS H H 40 8.384 7.779 0.605 1
1 491 . 18 1 1 A 62 62 LYS HA H 40 3.922 4.065 -0.143 1
1 500 . 18 1 1 A 62 62 LYS CA C 40 56.710 56.618 0.092 1
1 501 . 18 1 1 A 62 62 LYS CB C 40 30.640 30.968 -0.328 1
1 505 . 18 1 1 A 62 62 LYS N N 40 118.443 119.132 -0.689 1
1 506 . 18 1 1 A 63 63 PRO HA H 41 4.284 4.612 -0.328 1
1 513 . 18 1 1 A 63 63 PRO C C 41 179.464 176.419 3.045 1
1 514 . 18 1 1 A 63 63 PRO CA C 41 62.620 62.358 0.262 1
1 515 . 18 1 1 A 63 63 PRO CB C 41 31.640 32.145 -0.505 1
1 518 . 18 1 1 A 64 64 LEU H H 42 8.689 8.428 0.261 1
1 519 . 18 1 1 A 64 64 LEU HA H 42 4.212 4.218 -0.006 1
1 529 . 18 1 1 A 64 64 LEU C C 42 182.476 176.830 5.646 1
1 530 . 18 1 1 A 64 64 LEU CA C 42 54.750 54.247 0.503 1
1 531 . 18 1 1 A 64 64 LEU CB C 42 41.360 40.608 0.752 1
1 535 . 18 1 1 A 64 64 LEU N N 42 122.677 122.284 0.393 1
1 536 . 18 1 1 A 65 65 THR H H 43 8.858 8.477 0.381 1
1 537 . 18 1 1 A 65 65 THR HA H 43 3.779 3.822 -0.043 1
1 542 . 18 1 1 A 65 65 THR C C 43 180.078 176.060 4.018 1
1 543 . 18 1 1 A 65 65 THR CA C 43 66.310 66.446 -0.136 1
1 544 . 18 1 1 A 65 65 THR CB C 43 68.100 68.660 -0.560 1
1 546 . 18 1 1 A 65 65 THR N N 43 116.000 120.678 -4.678 1
1 547 . 18 1 1 A 66 66 LYS H H 44 7.921 8.461 -0.540 1
1 548 . 18 1 1 A 66 66 LYS HA H 44 4.125 4.080 0.045 1
1 557 . 18 1 1 A 66 66 LYS C C 44 177.953 177.975 -0.022 1
1 558 . 18 1 1 A 66 66 LYS CA C 44 57.730 58.933 -1.203 1
1 559 . 18 1 1 A 66 66 LYS CB C 44 31.890 31.597 0.293 1
1 563 . 18 1 1 A 66 66 LYS N N 44 117.614 120.131 -2.517 1
1 564 . 18 1 1 A 67 67 ASP H H 45 7.394 7.740 -0.346 1
1 565 . 18 1 1 A 67 67 ASP HA H 45 4.746 4.718 0.028 1
1 568 . 18 1 1 A 67 67 ASP C C 45 177.876 176.065 1.811 1
1 569 . 18 1 1 A 67 67 ASP CA C 45 54.350 55.633 -1.283 1
1 570 . 18 1 1 A 67 67 ASP CB C 45 42.090 42.292 -0.202 1
1 571 . 18 1 1 A 67 67 ASP N N 45 118.443 118.513 -0.070 1
1 572 . 18 1 1 A 68 68 GLN H H 46 7.143 7.858 -0.715 1
1 573 . 18 1 1 A 68 68 GLN HA H 46 4.054 4.529 -0.475 1
1 578 . 18 1 1 A 68 68 GLN C C 46 177.515 175.748 1.767 1
1 579 . 18 1 1 A 68 68 GLN CA C 46 56.750 55.664 1.086 1
1 580 . 18 1 1 A 68 68 GLN CB C 46 31.150 29.955 1.195 1
1 582 . 18 1 1 A 68 68 GLN N N 46 120.205 117.815 2.390 1
1 583 . 18 1 1 A 69 69 ARG H H 47 8.269 8.688 -0.419 1
1 584 . 18 1 1 A 69 69 ARG HA H 47 4.334 5.079 -0.745 1
1 591 . 18 1 1 A 69 69 ARG C C 47 175.708 174.679 1.029 1
1 592 . 18 1 1 A 69 69 ARG CA C 47 55.010 54.192 0.818 1
1 593 . 18 1 1 A 69 69 ARG CB C 47 31.390 33.992 -2.602 1
1 596 . 18 1 1 A 69 69 ARG N N 47 124.781 122.679 2.102 1
1 597 . 18 1 1 A 70 70 LEU H H 48 8.254 9.008 -0.754 1
1 598 . 18 1 1 A 70 70 LEU HA H 48 5.444 4.956 0.488 1
1 608 . 18 1 1 A 70 70 LEU C C 48 177.175 175.516 1.659 1
1 609 . 18 1 1 A 70 70 LEU CA C 48 52.810 53.400 -0.590 1
1 610 . 18 1 1 A 70 70 LEU CB C 48 45.100 42.990 2.110 1
1 614 . 18 1 1 A 70 70 LEU N N 48 122.071 122.466 -0.395 1
1 615 . 18 1 1 A 71 71 VAL H H 49 9.251 9.139 0.112 1
1 616 . 18 1 1 A 71 71 VAL HA H 49 4.889 4.948 -0.059 1
1 624 . 18 1 1 A 71 71 VAL C C 49 177.208 174.134 3.074 1
1 625 . 18 1 1 A 71 71 VAL CA C 49 60.570 61.505 -0.935 1
1 626 . 18 1 1 A 71 71 VAL CB C 49 34.580 32.827 1.753 1
1 629 . 18 1 1 A 71 71 VAL N N 49 122.797 125.558 -2.761 1
1 630 . 18 1 1 A 72 72 TYR H H 50 8.684 8.933 -0.249 1
1 631 . 18 1 1 A 72 72 TYR HA H 50 5.155 4.865 0.290 1
1 638 . 18 1 1 A 72 72 TYR CA C 50 56.060 57.558 -1.498 1
1 639 . 18 1 1 A 72 72 TYR CB C 50 43.140 40.773 2.367 1
1 642 . 18 1 1 A 72 72 TYR N N 50 126.349 128.938 -2.589 1
1 643 . 18 1 1 A 73 73 SER HA H 51 3.673 4.041 -0.368 1
1 646 . 18 1 1 A 73 73 SER C C 51 177.153 174.382 2.771 1
1 647 . 18 1 1 A 73 73 SER CA C 51 58.000 59.255 -1.255 1
1 648 . 18 1 1 A 73 73 SER CB C 51 62.190 61.441 0.749 1
1 649 . 18 1 1 A 74 74 GLY H H 52 8.209 8.443 -0.234 1
1 650 . 18 1 1 A 74 74 GLY HA2 H 52 4.030 3.908 0.122 1
1 651 . 18 1 1 A 74 74 GLY HA3 H 52 3.346 3.931 -0.585 1
1 652 . 18 1 1 A 74 74 GLY C C 52 175.259 174.156 1.103 1
1 653 . 18 1 1 A 74 74 GLY CA C 52 44.990 45.082 -0.092 1
1 654 . 18 1 1 A 74 74 GLY N N 52 103.501 106.152 -2.651 1
1 655 . 18 1 1 A 75 75 ARG H H 53 7.816 7.772 0.044 1
1 656 . 18 1 1 A 75 75 ARG HA H 53 4.555 4.489 0.066 1
1 663 . 18 1 1 A 75 75 ARG C C 53 176.321 175.058 1.263 1
1 664 . 18 1 1 A 75 75 ARG CA C 53 54.590 55.600 -1.010 1
1 665 . 18 1 1 A 75 75 ARG CB C 53 32.620 31.966 0.654 1
1 668 . 18 1 1 A 75 75 ARG N N 53 121.834 119.997 1.837 1
1 669 . 18 1 1 A 76 76 LEU H H 54 8.470 8.626 -0.156 1
1 670 . 18 1 1 A 76 76 LEU HA H 54 4.500 5.006 -0.506 1
1 680 . 18 1 1 A 76 76 LEU C C 54 179.639 174.689 4.950 1
1 681 . 18 1 1 A 76 76 LEU CA C 54 55.260 53.669 1.591 1
1 682 . 18 1 1 A 76 76 LEU CB C 54 42.210 44.482 -2.272 1
1 686 . 18 1 1 A 76 76 LEU N N 54 127.239 123.085 4.154 1
1 687 . 18 1 1 A 77 77 LEU H H 55 8.863 9.081 -0.218 1
1 688 . 18 1 1 A 77 77 LEU HA H 55 4.605 4.863 -0.258 1
1 698 . 18 1 1 A 77 77 LEU CA C 55 52.230 51.363 0.867 1
1 699 . 18 1 1 A 77 77 LEU CB C 55 43.090 42.628 0.462 1
1 703 . 18 1 1 A 77 77 LEU N N 55 127.741 128.354 -0.613 1
1 704 . 18 1 1 A 78 78 PRO HA H 56 4.708 4.688 0.020 1
1 711 . 18 1 1 A 78 78 PRO C C 56 179.519 177.145 2.374 1
1 712 . 18 1 1 A 78 78 PRO CA C 56 61.780 62.164 -0.384 1
1 713 . 18 1 1 A 78 78 PRO CB C 56 32.600 32.775 -0.175 1
1 716 . 18 1 1 A 79 79 ASP H H 57 8.109 8.676 -0.567 1
1 717 . 18 1 1 A 79 79 ASP HA H 57 4.122 4.251 -0.129 1
1 720 . 18 1 1 A 79 79 ASP C C 57 179.782 177.855 1.927 1
1 721 . 18 1 1 A 79 79 ASP CA C 57 57.380 56.720 0.660 1
1 722 . 18 1 1 A 79 79 ASP CB C 57 41.200 39.897 1.303 1
1 723 . 18 1 1 A 79 79 ASP N N 57 116.504 121.674 -5.170 1
1 724 . 18 1 1 A 80 80 HIS H H 58 7.815 7.470 0.345 1
1 725 . 18 1 1 A 80 80 HIS HA H 58 4.519 4.490 0.029 1
1 730 . 18 1 1 A 80 80 HIS C C 58 177.668 175.357 2.311 1
1 731 . 18 1 1 A 80 80 HIS CA C 58 57.110 57.178 -0.068 1
1 732 . 18 1 1 A 80 80 HIS CB C 58 30.770 29.697 1.073 1
1 735 . 18 1 1 A 80 80 HIS N N 58 112.239 113.590 -1.351 1
1 736 . 18 1 1 A 81 81 LEU H H 59 6.281 6.668 -0.387 1
1 737 . 18 1 1 A 81 81 LEU HA H 59 4.157 4.575 -0.418 1
1 747 . 18 1 1 A 81 81 LEU C C 59 178.501 176.796 1.705 1
1 748 . 18 1 1 A 81 81 LEU CA C 59 53.970 53.027 0.943 1
1 749 . 18 1 1 A 81 81 LEU CB C 59 43.360 44.092 -0.732 1
1 753 . 18 1 1 A 81 81 LEU N N 59 120.531 117.582 2.949 1
1 754 . 18 1 1 A 82 82 GLN H H 60 8.863 8.827 0.036 1
1 755 . 18 1 1 A 82 82 GLN HA H 60 4.891 4.329 0.562 1
1 762 . 18 1 1 A 82 82 GLN C C 60 180.417 177.488 2.929 1
1 763 . 18 1 1 A 82 82 GLN CA C 60 54.880 55.795 -0.915 1
1 764 . 18 1 1 A 82 82 GLN CB C 60 31.480 29.069 2.411 1
1 766 . 18 1 1 A 82 82 GLN N N 60 118.014 119.902 -1.888 1
1 768 . 18 1 1 A 83 83 LEU H H 61 8.688 8.518 0.170 1
1 769 . 18 1 1 A 83 83 LEU HA H 61 3.705 3.823 -0.118 1
1 779 . 18 1 1 A 83 83 LEU C C 61 181.775 178.587 3.188 1
1 780 . 18 1 1 A 83 83 LEU CA C 61 58.510 57.972 0.538 1
1 781 . 18 1 1 A 83 83 LEU CB C 61 40.330 41.405 -1.075 1
1 785 . 18 1 1 A 83 83 LEU N N 61 121.910 123.951 -2.041 1
1 786 . 18 1 1 A 84 84 LYS H H 62 8.525 7.919 0.606 1
1 787 . 18 1 1 A 84 84 LYS HA H 62 3.972 4.010 -0.038 1
1 796 . 18 1 1 A 84 84 LYS C C 62 177.865 178.258 -0.393 1
1 797 . 18 1 1 A 84 84 LYS CA C 62 57.690 58.996 -1.306 1
1 798 . 18 1 1 A 84 84 LYS CB C 62 31.440 32.043 -0.603 1
1 802 . 18 1 1 A 84 84 LYS N N 62 115.896 117.535 -1.639 1
1 803 . 18 1 1 A 85 85 ASP H H 63 7.598 7.724 -0.126 1
1 804 . 18 1 1 A 85 85 ASP HA H 63 4.710 4.382 0.328 1
1 807 . 18 1 1 A 85 85 ASP C C 63 177.307 177.188 0.119 1
1 808 . 18 1 1 A 85 85 ASP CA C 63 55.460 56.515 -1.055 1
1 809 . 18 1 1 A 85 85 ASP CB C 63 42.000 41.365 0.635 1
1 810 . 18 1 1 A 85 85 ASP N N 63 118.917 119.589 -0.672 1
1 811 . 18 1 1 A 86 86 ILE H H 64 7.417 7.217 0.200 1
1 812 . 18 1 1 A 86 86 ILE HA H 64 4.027 4.103 -0.076 1
1 822 . 18 1 1 A 86 86 ILE C C 64 177.055 177.194 -0.139 1
1 823 . 18 1 1 A 86 86 ILE CA C 64 62.150 63.082 -0.932 1
1 824 . 18 1 1 A 86 86 ILE CB C 64 42.670 39.437 3.233 1
1 828 . 18 1 1 A 86 86 ILE N N 64 117.599 116.576 1.023 1
1 829 . 18 1 1 A 87 87 LEU H H 65 7.399 7.543 -0.144 1
1 830 . 18 1 1 A 87 87 LEU HA H 65 3.695 3.995 -0.300 1
1 840 . 18 1 1 A 87 87 LEU C C 65 179.409 177.139 2.270 1
1 841 . 18 1 1 A 87 87 LEU CA C 65 55.040 54.218 0.822 1
1 842 . 18 1 1 A 87 87 LEU CB C 65 40.910 40.894 0.016 1
1 846 . 18 1 1 A 87 87 LEU N N 65 116.948 119.838 -2.890 1
1 847 . 18 1 1 A 88 88 ARG H H 66 7.954 7.529 0.425 1
1 848 . 18 1 1 A 88 88 ARG HA H 66 4.227 3.971 0.256 1
1 855 . 18 1 1 A 88 88 ARG C C 66 179.333 178.630 0.703 1
1 856 . 18 1 1 A 88 88 ARG CA C 66 56.960 59.033 -2.073 1
1 857 . 18 1 1 A 88 88 ARG CB C 66 30.570 29.479 1.091 1
1 860 . 18 1 1 A 88 88 ARG N N 66 122.752 121.248 1.504 1
1 861 . 18 1 1 A 89 89 LYS H H 67 8.374 8.069 0.305 1
1 862 . 18 1 1 A 89 89 LYS HA H 67 3.948 4.022 -0.074 1
1 871 . 18 1 1 A 89 89 LYS C C 67 179.278 179.421 -0.143 1
1 872 . 18 1 1 A 89 89 LYS CA C 67 58.560 59.567 -1.007 1
1 873 . 18 1 1 A 89 89 LYS CB C 67 32.620 32.153 0.467 1
1 877 . 18 1 1 A 89 89 LYS N N 67 124.661 118.789 5.872 1
1 878 . 18 1 1 A 90 90 GLN H H 68 8.616 8.085 0.531 1
1 879 . 18 1 1 A 90 90 GLN HA H 68 4.169 4.200 -0.031 1
1 886 . 18 1 1 A 90 90 GLN C C 68 177.778 176.061 1.717 1
1 887 . 18 1 1 A 90 90 GLN CA C 68 56.670 56.075 0.595 1
1 888 . 18 1 1 A 90 90 GLN CB C 68 28.230 28.970 -0.740 1
1 890 . 18 1 1 A 90 90 GLN N N 68 115.896 118.839 -2.943 1
1 892 . 18 1 1 A 91 91 ASP H H 69 7.319 8.325 -1.006 1
1 893 . 18 1 1 A 91 91 ASP HA H 69 4.523 4.817 -0.294 1
1 896 . 18 1 1 A 91 91 ASP C C 69 177.164 176.810 0.354 1
1 897 . 18 1 1 A 91 91 ASP CA C 69 54.440 56.290 -1.850 1
1 898 . 18 1 1 A 91 91 ASP CB C 69 41.200 40.419 0.781 1
1 899 . 18 1 1 A 91 91 ASP N N 69 121.181 119.071 2.110 1
1 900 . 18 1 1 A 92 92 GLU H H 70 8.320 8.202 0.118 1
1 901 . 18 1 1 A 92 92 GLU HA H 70 3.892 4.081 -0.189 1
1 906 . 18 1 1 A 92 92 GLU C C 70 177.657 175.483 2.174 1
1 907 . 18 1 1 A 92 92 GLU CA C 70 57.260 58.758 -1.498 1
1 908 . 18 1 1 A 92 92 GLU CB C 70 30.750 30.183 0.567 1
1 910 . 18 1 1 A 92 92 GLU N N 70 120.205 118.909 1.296 1
1 911 . 18 1 1 A 93 93 TYR H H 71 7.251 7.517 -0.266 1
1 912 . 18 1 1 A 93 93 TYR HA H 71 4.550 4.826 -0.276 1
1 919 . 18 1 1 A 93 93 TYR C C 71 175.861 175.015 0.846 1
1 920 . 18 1 1 A 93 93 TYR CA C 71 55.550 56.224 -0.674 1
1 921 . 18 1 1 A 93 93 TYR CB C 71 39.680 39.926 -0.246 1
1 924 . 18 1 1 A 93 93 TYR N N 71 115.349 115.517 -0.168 1
1 925 . 18 1 1 A 94 94 HIS H H 72 7.991 8.777 -0.786 1
1 926 . 18 1 1 A 94 94 HIS HA H 72 5.034 5.235 -0.201 1
1 930 . 18 1 1 A 94 94 HIS C C 72 176.157 174.155 2.002 1
1 931 . 18 1 1 A 94 94 HIS CA C 72 54.990 54.422 0.568 1
1 932 . 18 1 1 A 94 94 HIS CB C 72 33.910 31.493 2.417 1
1 934 . 18 1 1 A 94 94 HIS N N 72 120.146 119.713 0.433 1
1 935 . 18 1 1 A 95 95 MET H H 73 9.227 9.179 0.048 1
1 936 . 18 1 1 A 95 95 MET HA H 73 5.306 4.901 0.405 1
1 941 . 18 1 1 A 95 95 MET C C 73 176.891 175.474 1.417 1
1 942 . 18 1 1 A 95 95 MET CA C 73 54.500 54.705 -0.205 1
1 943 . 18 1 1 A 95 95 MET CB C 73 33.690 32.267 1.423 1
1 945 . 18 1 1 A 95 95 MET N N 73 124.691 124.538 0.153 1
1 946 . 18 1 1 A 96 96 VAL H H 74 9.070 8.951 0.119 1
1 947 . 18 1 1 A 96 96 VAL HA H 74 4.719 4.747 -0.028 1
1 955 . 18 1 1 A 96 96 VAL C C 74 175.653 174.733 0.920 1
1 956 . 18 1 1 A 96 96 VAL CA C 74 60.790 61.189 -0.399 1
1 957 . 18 1 1 A 96 96 VAL CB C 74 35.290 34.245 1.045 1
1 960 . 18 1 1 A 96 96 VAL N N 74 125.298 125.193 0.105 1
1 961 . 18 1 1 A 97 97 HIS H H 75 9.197 9.051 0.146 1
1 962 . 18 1 1 A 97 97 HIS HA H 75 5.213 5.505 -0.292 1
1 966 . 18 1 1 A 97 97 HIS C C 75 176.245 174.387 1.858 1
1 967 . 18 1 1 A 97 97 HIS CA C 75 55.800 54.953 0.847 1
1 968 . 18 1 1 A 97 97 HIS CB C 75 32.170 31.527 0.643 1
1 970 . 18 1 1 A 97 97 HIS N N 75 125.299 125.681 -0.382 1
1 971 . 18 1 1 A 98 98 LEU H H 76 8.423 8.630 -0.207 1
1 972 . 18 1 1 A 98 98 LEU HA H 76 5.059 4.508 0.551 1
1 982 . 18 1 1 A 98 98 LEU C C 76 177.592 176.128 1.464 1
1 983 . 18 1 1 A 98 98 LEU CA C 76 54.150 54.222 -0.072 1
1 984 . 18 1 1 A 98 98 LEU CB C 76 43.540 42.495 1.045 1
1 988 . 18 1 1 A 98 98 LEU N N 76 126.291 126.332 -0.041 1
1 13 . 19 1 1 A 24 24 VAL H H 2 8.008 7.951 0.057 1
1 14 . 19 1 1 A 24 24 VAL HA H 2 4.297 4.490 -0.193 1
1 22 . 19 1 1 A 24 24 VAL C C 2 175.571 175.295 0.276 1
1 23 . 19 1 1 A 24 24 VAL CA C 2 60.030 61.146 -1.116 1
1 24 . 19 1 1 A 24 24 VAL CB C 2 34.710 33.482 1.228 1
1 27 . 19 1 1 A 24 24 VAL N N 2 118.399 119.036 -0.637 1
1 28 . 19 1 1 A 25 25 THR H H 3 8.520 8.452 0.068 1
1 29 . 19 1 1 A 25 25 THR HA H 3 4.738 4.444 0.294 1
1 34 . 19 1 1 A 25 25 THR C C 3 175.275 173.215 2.060 1
1 35 . 19 1 1 A 25 25 THR CA C 3 62.350 62.816 -0.466 1
1 36 . 19 1 1 A 25 25 THR CB C 3 69.930 68.039 1.891 1
1 38 . 19 1 1 A 25 25 THR N N 3 121.522 122.949 -1.427 1
1 39 . 19 1 1 A 26 26 LEU H H 4 8.929 8.980 -0.051 1
1 40 . 19 1 1 A 26 26 LEU HA H 4 5.102 4.845 0.257 1
1 50 . 19 1 1 A 26 26 LEU C C 4 176.809 174.970 1.839 1
1 51 . 19 1 1 A 26 26 LEU CA C 4 52.850 54.039 -1.189 1
1 52 . 19 1 1 A 26 26 LEU CB C 4 45.140 43.444 1.696 1
1 56 . 19 1 1 A 26 26 LEU N N 4 127.076 128.531 -1.455 1
1 57 . 19 1 1 A 27 27 ILE H H 5 8.990 8.839 0.151 1
1 58 . 19 1 1 A 27 27 ILE HA H 5 4.682 4.553 0.129 1
1 68 . 19 1 1 A 27 27 ILE C C 5 176.962 175.306 1.656 1
1 69 . 19 1 1 A 27 27 ILE CA C 5 59.810 61.259 -1.449 1
1 70 . 19 1 1 A 27 27 ILE CB C 5 38.590 36.781 1.809 1
1 74 . 19 1 1 A 27 27 ILE N N 5 122.974 127.628 -4.654 1
1 75 . 19 1 1 A 28 28 ILE H H 6 9.288 8.986 0.302 1
1 76 . 19 1 1 A 28 28 ILE HA H 6 5.025 4.857 0.168 1
1 86 . 19 1 1 A 28 28 ILE C C 6 178.889 175.312 3.577 1
1 87 . 19 1 1 A 28 28 ILE CA C 6 57.620 60.719 -3.099 1
1 88 . 19 1 1 A 28 28 ILE CB C 6 36.680 37.116 -0.436 1
1 92 . 19 1 1 A 28 28 ILE N N 6 125.520 128.829 -3.309 1
1 93 . 19 1 1 A 29 29 LYS H H 7 8.832 8.460 0.372 1
1 94 . 19 1 1 A 29 29 LYS HA H 7 4.597 4.655 -0.058 1
1 103 . 19 1 1 A 29 29 LYS C C 7 176.414 176.332 0.082 1
1 104 . 19 1 1 A 29 29 LYS CA C 7 54.240 55.472 -1.232 1
1 105 . 19 1 1 A 29 29 LYS CB C 7 34.050 33.489 0.561 1
1 109 . 19 1 1 A 29 29 LYS N N 7 130.704 127.356 3.348 1
1 110 . 19 1 1 A 30 30 ALA H H 8 9.021 8.814 0.207 1
1 111 . 19 1 1 A 30 30 ALA HA H 8 5.221 4.582 0.639 1
1 115 . 19 1 1 A 30 30 ALA CA C 8 49.220 50.980 -1.760 1
1 116 . 19 1 1 A 30 30 ALA CB C 8 20.620 18.069 2.551 1
1 117 . 19 1 1 A 30 30 ALA N N 8 126.869 128.138 -1.269 1
1 118 . 19 1 1 A 31 31 PRO HA H 9 4.445 4.511 -0.066 1
1 125 . 19 1 1 A 31 31 PRO CA C 9 63.990 65.879 -1.889 1
1 126 . 19 1 1 A 31 31 PRO CB C 9 31.860 31.689 0.171 1
1 129 . 19 1 1 A 32 32 ASN HA H 10 4.531 4.837 -0.306 1
1 134 . 19 1 1 A 32 32 ASN C C 10 176.666 174.923 1.743 1
1 135 . 19 1 1 A 32 32 ASN CA C 10 53.210 52.856 0.354 1
1 136 . 19 1 1 A 32 32 ASN CB C 10 38.150 38.866 -0.716 1
1 138 . 19 1 1 A 33 33 GLN H H 11 8.123 7.901 0.222 1
1 139 . 19 1 1 A 33 33 GLN N N 11 114.038 117.648 -3.610 1
1 140 . 19 1 1 A 34 34 LYS HA H 12 3.817 3.988 -0.171 1
1 149 . 19 1 1 A 34 34 LYS C C 12 178.002 175.885 2.117 1
1 150 . 19 1 1 A 34 34 LYS CA C 12 58.290 58.921 -0.631 1
1 151 . 19 1 1 A 34 34 LYS CB C 12 32.570 32.627 -0.057 1
1 155 . 19 1 1 A 35 35 TYR H H 13 6.845 8.223 -1.378 1
1 156 . 19 1 1 A 35 35 TYR HA H 13 4.654 4.810 -0.156 1
1 163 . 19 1 1 A 35 35 TYR CA C 13 56.060 58.098 -2.038 1
1 164 . 19 1 1 A 35 35 TYR CB C 13 41.000 40.526 0.474 1
1 167 . 19 1 1 A 35 35 TYR N N 13 112.988 117.563 -4.575 1
1 168 . 19 1 1 A 36 36 SER HA H 14 4.376 4.666 -0.290 1
1 171 . 19 1 1 A 36 36 SER C C 14 177.170 173.997 3.173 1
1 172 . 19 1 1 A 36 36 SER CA C 14 58.160 57.953 0.207 1
1 173 . 19 1 1 A 36 36 SER CB C 14 64.000 65.402 -1.402 1
1 174 . 19 1 1 A 37 37 ASP H H 15 8.910 8.605 0.305 1
1 175 . 19 1 1 A 37 37 ASP HA H 15 4.622 4.776 -0.154 1
1 178 . 19 1 1 A 37 37 ASP C C 15 178.221 175.525 2.696 1
1 179 . 19 1 1 A 37 37 ASP CA C 15 55.680 53.493 2.187 1
1 180 . 19 1 1 A 37 37 ASP CB C 15 39.640 40.154 -0.514 1
1 181 . 19 1 1 A 37 37 ASP N N 15 125.921 119.601 6.320 1
1 182 . 19 1 1 A 38 38 GLN H H 16 8.224 8.565 -0.341 1
1 183 . 19 1 1 A 38 38 GLN HA H 16 4.653 4.620 0.033 1
1 190 . 19 1 1 A 38 38 GLN C C 16 176.655 175.777 0.878 1
1 191 . 19 1 1 A 38 38 GLN CA C 16 53.230 55.880 -2.650 1
1 192 . 19 1 1 A 38 38 GLN CB C 16 31.390 29.362 2.028 1
1 194 . 19 1 1 A 38 38 GLN N N 16 121.123 125.268 -4.145 1
1 196 . 19 1 1 A 39 39 THR H H 17 8.733 8.401 0.332 1
1 197 . 19 1 1 A 39 39 THR HA H 17 4.936 4.692 0.244 1
1 202 . 19 1 1 A 39 39 THR C C 17 176.173 173.683 2.490 1
1 203 . 19 1 1 A 39 39 THR CA C 17 62.170 61.327 0.843 1
1 204 . 19 1 1 A 39 39 THR CB C 17 69.300 68.355 0.945 1
1 206 . 19 1 1 A 39 39 THR N N 17 120.324 116.166 4.158 1
1 207 . 19 1 1 A 40 40 ILE H H 18 9.424 8.828 0.596 1
1 208 . 19 1 1 A 40 40 ILE HA H 18 4.592 4.717 -0.125 1
1 218 . 19 1 1 A 40 40 ILE C C 18 176.184 175.200 0.984 1
1 219 . 19 1 1 A 40 40 ILE CA C 18 58.200 60.691 -2.491 1
1 220 . 19 1 1 A 40 40 ILE CB C 18 41.130 37.863 3.267 1
1 224 . 19 1 1 A 40 40 ILE N N 18 126.321 128.518 -2.197 1
1 225 . 19 1 1 A 41 41 SER H H 19 8.518 8.746 -0.228 1
1 226 . 19 1 1 A 41 41 SER HA H 19 4.939 4.716 0.223 1
1 229 . 19 1 1 A 41 41 SER C C 19 175.210 174.455 0.755 1
1 230 . 19 1 1 A 41 41 SER CA C 19 57.160 58.743 -1.583 1
1 231 . 19 1 1 A 41 41 SER CB C 19 63.660 63.507 0.153 1
1 232 . 19 1 1 A 41 41 SER N N 19 120.959 123.507 -2.548 1
1 233 . 19 1 1 A 42 42 CYS H H 20 8.444 8.735 -0.291 1
1 234 . 19 1 1 A 42 42 CYS HA H 20 3.546 5.041 -1.495 1
1 237 . 19 1 1 A 42 42 CYS CA C 20 55.410 58.070 -2.660 1
1 238 . 19 1 1 A 42 42 CYS CB C 20 28.570 32.459 -3.889 1
1 239 . 19 1 1 A 42 42 CYS N N 20 120.248 121.826 -1.578 1
1 240 . 19 1 1 A 43 43 PHE HA H 21 4.580 4.713 -0.133 1
1 248 . 19 1 1 A 43 43 PHE C C 21 177.980 175.558 2.422 1
1 249 . 19 1 1 A 43 43 PHE CA C 21 56.490 55.955 0.535 1
1 250 . 19 1 1 A 43 43 PHE CB C 21 42.360 42.355 0.005 1
1 254 . 19 1 1 A 44 44 LEU H H 22 9.159 8.896 0.263 1
1 255 . 19 1 1 A 44 44 LEU HA H 22 3.779 4.029 -0.250 1
1 265 . 19 1 1 A 44 44 LEU C C 22 178.177 178.458 -0.281 1
1 266 . 19 1 1 A 44 44 LEU CA C 22 56.980 56.686 0.294 1
1 267 . 19 1 1 A 44 44 LEU CB C 22 42.090 41.421 0.669 1
1 271 . 19 1 1 A 44 44 LEU N N 22 120.130 124.959 -4.829 1
1 272 . 19 1 1 A 45 45 ASN H H 23 8.058 7.824 0.234 1
1 273 . 19 1 1 A 45 45 ASN HA H 23 4.650 4.392 0.258 1
1 276 . 19 1 1 A 45 45 ASN C C 23 178.364 175.716 2.648 1
1 277 . 19 1 1 A 45 45 ASN CA C 23 52.880 55.873 -2.993 1
1 278 . 19 1 1 A 45 45 ASN CB C 23 37.320 38.003 -0.683 1
1 279 . 19 1 1 A 45 45 ASN N N 23 112.017 115.593 -3.576 1
1 280 . 19 1 1 A 46 46 TRP H H 24 7.857 7.442 0.415 1
1 281 . 19 1 1 A 46 46 TRP HA H 24 4.712 4.988 -0.276 1
1 290 . 19 1 1 A 46 46 TRP C C 24 178.802 176.378 2.424 1
1 291 . 19 1 1 A 46 46 TRP CA C 24 57.240 56.951 0.289 1
1 292 . 19 1 1 A 46 46 TRP CB C 24 29.250 31.761 -2.511 1
1 298 . 19 1 1 A 46 46 TRP N N 24 121.301 119.310 1.991 1
1 300 . 19 1 1 A 47 47 THR H H 25 7.473 8.984 -1.511 1
1 301 . 19 1 1 A 47 47 THR HA H 25 5.097 4.673 0.424 1
1 306 . 19 1 1 A 47 47 THR C C 25 178.375 176.540 1.835 1
1 307 . 19 1 1 A 47 47 THR CA C 25 59.940 60.902 -0.962 1
1 308 . 19 1 1 A 47 47 THR CB C 25 71.080 71.124 -0.044 1
1 310 . 19 1 1 A 47 47 THR N N 25 109.055 114.431 -5.376 1
1 311 . 19 1 1 A 48 48 VAL H H 26 8.349 8.710 -0.361 1
1 312 . 19 1 1 A 48 48 VAL HA H 26 3.433 3.520 -0.087 1
1 320 . 19 1 1 A 48 48 VAL C C 26 180.548 178.421 2.127 1
1 321 . 19 1 1 A 48 48 VAL CA C 26 66.460 66.484 -0.024 1
1 322 . 19 1 1 A 48 48 VAL CB C 26 31.540 31.387 0.153 1
1 325 . 19 1 1 A 48 48 VAL N N 26 123.048 122.248 0.800 1
1 326 . 19 1 1 A 49 49 GLY H H 27 9.099 7.986 1.113 1
1 327 . 19 1 1 A 49 49 GLY HA2 H 27 3.895 3.789 0.106 1
1 328 . 19 1 1 A 49 49 GLY HA3 H 27 3.512 3.795 -0.283 1
1 329 . 19 1 1 A 49 49 GLY C C 27 177.909 175.538 2.371 1
1 330 . 19 1 1 A 49 49 GLY CA C 27 47.100 47.183 -0.083 1
1 331 . 19 1 1 A 49 49 GLY N N 27 107.086 107.468 -0.382 1
1 332 . 19 1 1 A 50 50 LYS H H 28 7.937 7.892 0.045 1
1 333 . 19 1 1 A 50 50 LYS HA H 28 3.907 3.994 -0.087 1
1 342 . 19 1 1 A 50 50 LYS C C 28 180.866 179.289 1.577 1
1 343 . 19 1 1 A 50 50 LYS CA C 28 59.000 59.371 -0.371 1
1 344 . 19 1 1 A 50 50 LYS CB C 28 31.730 32.271 -0.541 1
1 348 . 19 1 1 A 50 50 LYS N N 28 125.227 122.125 3.102 1
1 349 . 19 1 1 A 51 51 LEU H H 29 8.364 8.225 0.139 1
1 350 . 19 1 1 A 51 51 LEU HA H 29 4.357 4.219 0.138 1
1 360 . 19 1 1 A 51 51 LEU C C 29 180.056 178.758 1.298 1
1 361 . 19 1 1 A 51 51 LEU CA C 29 58.360 57.664 0.696 1
1 362 . 19 1 1 A 51 51 LEU CB C 29 41.510 41.280 0.230 1
1 366 . 19 1 1 A 51 51 LEU N N 29 122.366 120.361 2.005 1
1 367 . 19 1 1 A 52 52 LYS H H 30 8.711 8.141 0.570 1
1 368 . 19 1 1 A 52 52 LYS HA H 30 4.542 4.042 0.500 1
1 377 . 19 1 1 A 52 52 LYS C C 30 182.257 179.267 2.990 1
1 378 . 19 1 1 A 52 52 LYS CA C 30 59.310 59.172 0.138 1
1 379 . 19 1 1 A 52 52 LYS CB C 30 33.380 32.020 1.360 1
1 383 . 19 1 1 A 52 52 LYS N N 30 119.050 120.382 -1.332 1
1 384 . 19 1 1 A 53 53 THR H H 31 8.130 8.036 0.094 1
1 385 . 19 1 1 A 53 53 THR HA H 31 3.655 3.892 -0.237 1
1 390 . 19 1 1 A 53 53 THR C C 31 179.092 176.138 2.954 1
1 391 . 19 1 1 A 53 53 THR CA C 31 66.890 66.768 0.122 1
1 392 . 19 1 1 A 53 53 THR CB C 31 68.370 68.420 -0.050 1
1 394 . 19 1 1 A 53 53 THR N N 31 118.206 117.111 1.095 1
1 395 . 19 1 1 A 54 54 HIS H H 32 8.310 7.629 0.681 1
1 396 . 19 1 1 A 54 54 HIS HA H 32 4.566 4.199 0.367 1
1 400 . 19 1 1 A 54 54 HIS C C 32 180.735 177.065 3.670 1
1 401 . 19 1 1 A 54 54 HIS CA C 32 60.010 60.221 -0.211 1
1 402 . 19 1 1 A 54 54 HIS CB C 32 31.620 29.451 2.169 1
1 404 . 19 1 1 A 54 54 HIS N N 32 124.425 122.195 2.230 1
1 405 . 19 1 1 A 55 55 LEU H H 33 9.036 8.164 0.872 1
1 406 . 19 1 1 A 55 55 LEU HA H 33 3.958 3.851 0.107 1
1 416 . 19 1 1 A 55 55 LEU C C 33 180.877 179.076 1.801 1
1 417 . 19 1 1 A 55 55 LEU CA C 33 58.180 57.786 0.394 1
1 418 . 19 1 1 A 55 55 LEU CB C 33 40.710 41.717 -1.007 1
1 422 . 19 1 1 A 55 55 LEU N N 33 119.746 120.326 -0.580 1
1 423 . 19 1 1 A 56 56 SER H H 34 8.266 7.838 0.428 1
1 424 . 19 1 1 A 56 56 SER HA H 34 4.159 4.052 0.107 1
1 427 . 19 1 1 A 56 56 SER C C 34 176.015 176.003 0.012 1
1 428 . 19 1 1 A 56 56 SER CA C 34 61.590 62.289 -0.699 1
1 429 . 19 1 1 A 56 56 SER CB C 34 63.600 62.767 0.833 1
1 430 . 19 1 1 A 56 56 SER N N 34 114.534 113.968 0.566 1
1 431 . 19 1 1 A 57 57 ASN H H 35 7.273 7.624 -0.351 1
1 432 . 19 1 1 A 57 57 ASN HA H 35 4.799 4.651 0.148 1
1 437 . 19 1 1 A 57 57 ASN C C 35 179.004 176.867 2.137 1
1 438 . 19 1 1 A 57 57 ASN CA C 35 54.520 55.877 -1.357 1
1 439 . 19 1 1 A 57 57 ASN CB C 35 40.890 38.782 2.108 1
1 440 . 19 1 1 A 57 57 ASN N N 35 115.349 119.563 -4.214 1
1 442 . 19 1 1 A 58 58 VAL H H 36 7.810 7.027 0.783 1
1 443 . 19 1 1 A 58 58 VAL HA H 36 4.309 4.170 0.139 1
1 451 . 19 1 1 A 58 58 VAL C C 36 178.446 175.630 2.816 1
1 452 . 19 1 1 A 58 58 VAL CA C 36 62.350 63.203 -0.853 1
1 453 . 19 1 1 A 58 58 VAL CB C 36 32.980 32.301 0.679 1
1 456 . 19 1 1 A 58 58 VAL N N 36 110.874 109.715 1.159 1
1 457 . 19 1 1 A 59 59 TYR H H 37 8.896 7.731 1.165 1
1 458 . 19 1 1 A 59 59 TYR HA H 37 4.482 4.636 -0.154 1
1 465 . 19 1 1 A 59 59 TYR CA C 37 57.740 56.805 0.935 1
1 466 . 19 1 1 A 59 59 TYR CB C 37 40.440 39.684 0.756 1
1 469 . 19 1 1 A 59 59 TYR N N 37 127.773 124.487 3.286 1
1 470 . 19 1 1 A 60 60 PRO HA H 38 3.956 4.302 -0.346 1
1 477 . 19 1 1 A 60 60 PRO C C 38 178.511 177.700 0.811 1
1 478 . 19 1 1 A 60 60 PRO CA C 38 65.560 64.800 0.760 1
1 479 . 19 1 1 A 60 60 PRO CB C 38 31.860 32.003 -0.143 1
1 482 . 19 1 1 A 61 61 SER H H 39 6.571 7.695 -1.124 1
1 483 . 19 1 1 A 61 61 SER HA H 39 4.238 4.405 -0.167 1
1 486 . 19 1 1 A 61 61 SER C C 39 175.774 174.084 1.690 1
1 487 . 19 1 1 A 61 61 SER CA C 39 58.290 60.699 -2.409 1
1 488 . 19 1 1 A 61 61 SER CB C 39 63.420 63.822 -0.402 1
1 489 . 19 1 1 A 61 61 SER N N 39 108.382 111.667 -3.285 1
1 490 . 19 1 1 A 62 62 LYS H H 40 8.384 7.734 0.650 1
1 491 . 19 1 1 A 62 62 LYS HA H 40 3.922 4.036 -0.114 1
1 500 . 19 1 1 A 62 62 LYS CA C 40 56.710 56.591 0.119 1
1 501 . 19 1 1 A 62 62 LYS CB C 40 30.640 30.918 -0.278 1
1 505 . 19 1 1 A 62 62 LYS N N 40 118.443 119.131 -0.688 1
1 506 . 19 1 1 A 63 63 PRO HA H 41 4.284 4.588 -0.304 1
1 513 . 19 1 1 A 63 63 PRO C C 41 179.464 176.491 2.973 1
1 514 . 19 1 1 A 63 63 PRO CA C 41 62.620 62.522 0.098 1
1 515 . 19 1 1 A 63 63 PRO CB C 41 31.640 32.403 -0.763 1
1 518 . 19 1 1 A 64 64 LEU H H 42 8.689 8.464 0.225 1
1 519 . 19 1 1 A 64 64 LEU HA H 42 4.212 4.315 -0.103 1
1 529 . 19 1 1 A 64 64 LEU C C 42 182.476 179.020 3.456 1
1 530 . 19 1 1 A 64 64 LEU CA C 42 54.750 54.738 0.012 1
1 531 . 19 1 1 A 64 64 LEU CB C 42 41.360 41.908 -0.548 1
1 535 . 19 1 1 A 64 64 LEU N N 42 122.677 122.420 0.257 1
1 536 . 19 1 1 A 65 65 THR H H 43 8.858 8.762 0.096 1
1 537 . 19 1 1 A 65 65 THR HA H 43 3.779 3.904 -0.125 1
1 542 . 19 1 1 A 65 65 THR C C 43 180.078 175.555 4.523 1
1 543 . 19 1 1 A 65 65 THR CA C 43 66.310 65.539 0.771 1
1 544 . 19 1 1 A 65 65 THR CB C 43 68.100 68.227 -0.127 1
1 546 . 19 1 1 A 65 65 THR N N 43 116.000 118.336 -2.336 1
1 547 . 19 1 1 A 66 66 LYS H H 44 7.921 8.488 -0.567 1
1 548 . 19 1 1 A 66 66 LYS HA H 44 4.125 4.068 0.057 1
1 557 . 19 1 1 A 66 66 LYS C C 44 177.953 178.256 -0.303 1
1 558 . 19 1 1 A 66 66 LYS CA C 44 57.730 58.925 -1.195 1
1 559 . 19 1 1 A 66 66 LYS CB C 44 31.890 31.903 -0.013 1
1 563 . 19 1 1 A 66 66 LYS N N 44 117.614 121.525 -3.911 1
1 564 . 19 1 1 A 67 67 ASP H H 45 7.394 7.585 -0.191 1
1 565 . 19 1 1 A 67 67 ASP HA H 45 4.746 4.688 0.058 1
1 568 . 19 1 1 A 67 67 ASP C C 45 177.876 176.303 1.573 1
1 569 . 19 1 1 A 67 67 ASP CA C 45 54.350 55.642 -1.292 1
1 570 . 19 1 1 A 67 67 ASP CB C 45 42.090 41.892 0.198 1
1 571 . 19 1 1 A 67 67 ASP N N 45 118.443 117.437 1.006 1
1 572 . 19 1 1 A 68 68 GLN H H 46 7.143 7.573 -0.430 1
1 573 . 19 1 1 A 68 68 GLN HA H 46 4.054 4.304 -0.250 1
1 578 . 19 1 1 A 68 68 GLN C C 46 177.515 175.701 1.814 1
1 579 . 19 1 1 A 68 68 GLN CA C 46 56.750 55.920 0.830 1
1 580 . 19 1 1 A 68 68 GLN CB C 46 31.150 28.903 2.247 1
1 582 . 19 1 1 A 68 68 GLN N N 46 120.205 116.592 3.613 1
1 583 . 19 1 1 A 69 69 ARG H H 47 8.269 8.784 -0.515 1
1 584 . 19 1 1 A 69 69 ARG HA H 47 4.334 5.056 -0.722 1
1 591 . 19 1 1 A 69 69 ARG C C 47 175.708 174.843 0.865 1
1 592 . 19 1 1 A 69 69 ARG CA C 47 55.010 54.237 0.773 1
1 593 . 19 1 1 A 69 69 ARG CB C 47 31.390 34.678 -3.288 1
1 596 . 19 1 1 A 69 69 ARG N N 47 124.781 121.912 2.869 1
1 597 . 19 1 1 A 70 70 LEU H H 48 8.254 8.662 -0.408 1
1 598 . 19 1 1 A 70 70 LEU HA H 48 5.444 5.120 0.324 1
1 608 . 19 1 1 A 70 70 LEU C C 48 177.175 175.704 1.471 1
1 609 . 19 1 1 A 70 70 LEU CA C 48 52.810 53.514 -0.704 1
1 610 . 19 1 1 A 70 70 LEU CB C 48 45.100 43.837 1.263 1
1 614 . 19 1 1 A 70 70 LEU N N 48 122.071 121.329 0.742 1
1 615 . 19 1 1 A 71 71 VAL H H 49 9.251 9.055 0.196 1
1 616 . 19 1 1 A 71 71 VAL HA H 49 4.889 5.259 -0.370 1
1 624 . 19 1 1 A 71 71 VAL C C 49 177.208 174.489 2.719 1
1 625 . 19 1 1 A 71 71 VAL CA C 49 60.570 60.951 -0.381 1
1 626 . 19 1 1 A 71 71 VAL CB C 49 34.580 33.388 1.192 1
1 629 . 19 1 1 A 71 71 VAL N N 49 122.797 125.353 -2.556 1
1 630 . 19 1 1 A 72 72 TYR H H 50 8.684 9.133 -0.449 1
1 631 . 19 1 1 A 72 72 TYR HA H 50 5.155 5.027 0.128 1
1 638 . 19 1 1 A 72 72 TYR CA C 50 56.060 57.447 -1.387 1
1 639 . 19 1 1 A 72 72 TYR CB C 50 43.140 41.614 1.526 1
1 642 . 19 1 1 A 72 72 TYR N N 50 126.349 127.890 -1.541 1
1 643 . 19 1 1 A 73 73 SER HA H 51 3.673 3.961 -0.288 1
1 646 . 19 1 1 A 73 73 SER C C 51 177.153 173.519 3.634 1
1 647 . 19 1 1 A 73 73 SER CA C 51 58.000 59.053 -1.053 1
1 648 . 19 1 1 A 73 73 SER CB C 51 62.190 61.868 0.322 1
1 649 . 19 1 1 A 74 74 GLY H H 52 8.209 8.358 -0.149 1
1 650 . 19 1 1 A 74 74 GLY HA2 H 52 4.030 3.929 0.101 1
1 651 . 19 1 1 A 74 74 GLY HA3 H 52 3.346 3.930 -0.584 1
1 652 . 19 1 1 A 74 74 GLY C C 52 175.259 174.406 0.853 1
1 653 . 19 1 1 A 74 74 GLY CA C 52 44.990 45.100 -0.110 1
1 654 . 19 1 1 A 74 74 GLY N N 52 103.501 106.364 -2.863 1
1 655 . 19 1 1 A 75 75 ARG H H 53 7.816 7.662 0.154 1
1 656 . 19 1 1 A 75 75 ARG HA H 53 4.555 4.396 0.159 1
1 663 . 19 1 1 A 75 75 ARG C C 53 176.321 175.202 1.119 1
1 664 . 19 1 1 A 75 75 ARG CA C 53 54.590 55.883 -1.293 1
1 665 . 19 1 1 A 75 75 ARG CB C 53 32.620 31.366 1.254 1
1 668 . 19 1 1 A 75 75 ARG N N 53 121.834 120.319 1.515 1
1 669 . 19 1 1 A 76 76 LEU H H 54 8.470 8.429 0.041 1
1 670 . 19 1 1 A 76 76 LEU HA H 54 4.500 4.857 -0.357 1
1 680 . 19 1 1 A 76 76 LEU C C 54 179.639 174.677 4.962 1
1 681 . 19 1 1 A 76 76 LEU CA C 54 55.260 54.102 1.158 1
1 682 . 19 1 1 A 76 76 LEU CB C 54 42.210 44.479 -2.269 1
1 686 . 19 1 1 A 76 76 LEU N N 54 127.239 123.829 3.410 1
1 687 . 19 1 1 A 77 77 LEU H H 55 8.863 9.047 -0.184 1
1 688 . 19 1 1 A 77 77 LEU HA H 55 4.605 4.851 -0.246 1
1 698 . 19 1 1 A 77 77 LEU CA C 55 52.230 51.359 0.871 1
1 699 . 19 1 1 A 77 77 LEU CB C 55 43.090 42.521 0.569 1
1 703 . 19 1 1 A 77 77 LEU N N 55 127.741 127.887 -0.146 1
1 704 . 19 1 1 A 78 78 PRO HA H 56 4.708 4.653 0.055 1
1 711 . 19 1 1 A 78 78 PRO C C 56 179.519 176.920 2.599 1
1 712 . 19 1 1 A 78 78 PRO CA C 56 61.780 62.255 -0.475 1
1 713 . 19 1 1 A 78 78 PRO CB C 56 32.600 32.704 -0.104 1
1 716 . 19 1 1 A 79 79 ASP H H 57 8.109 8.635 -0.526 1
1 717 . 19 1 1 A 79 79 ASP HA H 57 4.122 4.246 -0.124 1
1 720 . 19 1 1 A 79 79 ASP C C 57 179.782 177.606 2.176 1
1 721 . 19 1 1 A 79 79 ASP CA C 57 57.380 56.447 0.933 1
1 722 . 19 1 1 A 79 79 ASP CB C 57 41.200 39.948 1.252 1
1 723 . 19 1 1 A 79 79 ASP N N 57 116.504 121.553 -5.049 1
1 724 . 19 1 1 A 80 80 HIS H H 58 7.815 7.609 0.206 1
1 725 . 19 1 1 A 80 80 HIS HA H 58 4.519 4.453 0.066 1
1 730 . 19 1 1 A 80 80 HIS C C 58 177.668 175.092 2.576 1
1 731 . 19 1 1 A 80 80 HIS CA C 58 57.110 57.258 -0.148 1
1 732 . 19 1 1 A 80 80 HIS CB C 58 30.770 29.440 1.330 1
1 735 . 19 1 1 A 80 80 HIS N N 58 112.239 114.796 -2.557 1
1 736 . 19 1 1 A 81 81 LEU H H 59 6.281 6.760 -0.479 1
1 737 . 19 1 1 A 81 81 LEU HA H 59 4.157 4.841 -0.684 1
1 747 . 19 1 1 A 81 81 LEU C C 59 178.501 176.442 2.059 1
1 748 . 19 1 1 A 81 81 LEU CA C 59 53.970 52.894 1.076 1
1 749 . 19 1 1 A 81 81 LEU CB C 59 43.360 44.719 -1.359 1
1 753 . 19 1 1 A 81 81 LEU N N 59 120.531 116.904 3.627 1
1 754 . 19 1 1 A 82 82 GLN H H 60 8.863 8.898 -0.035 1
1 755 . 19 1 1 A 82 82 GLN HA H 60 4.891 4.401 0.490 1
1 762 . 19 1 1 A 82 82 GLN C C 60 180.417 177.429 2.988 1
1 763 . 19 1 1 A 82 82 GLN CA C 60 54.880 55.499 -0.619 1
1 764 . 19 1 1 A 82 82 GLN CB C 60 31.480 29.663 1.817 1
1 766 . 19 1 1 A 82 82 GLN N N 60 118.014 119.705 -1.691 1
1 768 . 19 1 1 A 83 83 LEU H H 61 8.688 8.384 0.304 1
1 769 . 19 1 1 A 83 83 LEU HA H 61 3.705 3.895 -0.190 1
1 779 . 19 1 1 A 83 83 LEU C C 61 181.775 178.642 3.133 1
1 780 . 19 1 1 A 83 83 LEU CA C 61 58.510 57.834 0.676 1
1 781 . 19 1 1 A 83 83 LEU CB C 61 40.330 41.316 -0.986 1
1 785 . 19 1 1 A 83 83 LEU N N 61 121.910 123.354 -1.444 1
1 786 . 19 1 1 A 84 84 LYS H H 62 8.525 7.830 0.695 1
1 787 . 19 1 1 A 84 84 LYS HA H 62 3.972 3.985 -0.013 1
1 796 . 19 1 1 A 84 84 LYS C C 62 177.865 178.165 -0.300 1
1 797 . 19 1 1 A 84 84 LYS CA C 62 57.690 59.076 -1.386 1
1 798 . 19 1 1 A 84 84 LYS CB C 62 31.440 32.139 -0.699 1
1 802 . 19 1 1 A 84 84 LYS N N 62 115.896 117.374 -1.478 1
1 803 . 19 1 1 A 85 85 ASP H H 63 7.598 7.652 -0.054 1
1 804 . 19 1 1 A 85 85 ASP HA H 63 4.710 4.390 0.320 1
1 807 . 19 1 1 A 85 85 ASP C C 63 177.307 177.208 0.099 1
1 808 . 19 1 1 A 85 85 ASP CA C 63 55.460 56.262 -0.802 1
1 809 . 19 1 1 A 85 85 ASP CB C 63 42.000 41.098 0.902 1
1 810 . 19 1 1 A 85 85 ASP N N 63 118.917 119.408 -0.491 1
1 811 . 19 1 1 A 86 86 ILE H H 64 7.417 7.190 0.227 1
1 812 . 19 1 1 A 86 86 ILE HA H 64 4.027 4.050 -0.023 1
1 822 . 19 1 1 A 86 86 ILE C C 64 177.055 177.066 -0.011 1
1 823 . 19 1 1 A 86 86 ILE CA C 64 62.150 63.066 -0.916 1
1 824 . 19 1 1 A 86 86 ILE CB C 64 42.670 39.250 3.420 1
1 828 . 19 1 1 A 86 86 ILE N N 64 117.599 116.416 1.183 1
1 829 . 19 1 1 A 87 87 LEU H H 65 7.399 7.490 -0.091 1
1 830 . 19 1 1 A 87 87 LEU HA H 65 3.695 3.992 -0.297 1
1 840 . 19 1 1 A 87 87 LEU C C 65 179.409 177.174 2.235 1
1 841 . 19 1 1 A 87 87 LEU CA C 65 55.040 54.074 0.966 1
1 842 . 19 1 1 A 87 87 LEU CB C 65 40.910 40.942 -0.032 1
1 846 . 19 1 1 A 87 87 LEU N N 65 116.948 119.496 -2.548 1
1 847 . 19 1 1 A 88 88 ARG H H 66 7.954 7.500 0.454 1
1 848 . 19 1 1 A 88 88 ARG HA H 66 4.227 4.092 0.135 1
1 855 . 19 1 1 A 88 88 ARG C C 66 179.333 178.538 0.795 1
1 856 . 19 1 1 A 88 88 ARG CA C 66 56.960 58.952 -1.992 1
1 857 . 19 1 1 A 88 88 ARG CB C 66 30.570 29.783 0.787 1
1 860 . 19 1 1 A 88 88 ARG N N 66 122.752 121.340 1.412 1
1 861 . 19 1 1 A 89 89 LYS H H 67 8.374 7.960 0.414 1
1 862 . 19 1 1 A 89 89 LYS HA H 67 3.948 4.069 -0.121 1
1 871 . 19 1 1 A 89 89 LYS C C 67 179.278 178.264 1.014 1
1 872 . 19 1 1 A 89 89 LYS CA C 67 58.560 59.621 -1.061 1
1 873 . 19 1 1 A 89 89 LYS CB C 67 32.620 32.340 0.280 1
1 877 . 19 1 1 A 89 89 LYS N N 67 124.661 118.569 6.092 1
1 878 . 19 1 1 A 90 90 GLN H H 68 8.616 8.079 0.537 1
1 879 . 19 1 1 A 90 90 GLN HA H 68 4.169 4.374 -0.205 1
1 886 . 19 1 1 A 90 90 GLN C C 68 177.778 175.987 1.791 1
1 887 . 19 1 1 A 90 90 GLN CA C 68 56.670 55.013 1.657 1
1 888 . 19 1 1 A 90 90 GLN CB C 68 28.230 29.479 -1.249 1
1 890 . 19 1 1 A 90 90 GLN N N 68 115.896 115.809 0.087 1
1 892 . 19 1 1 A 91 91 ASP H H 69 7.319 7.986 -0.667 1
1 893 . 19 1 1 A 91 91 ASP HA H 69 4.523 4.455 0.068 1
1 896 . 19 1 1 A 91 91 ASP C C 69 177.164 176.513 0.651 1
1 897 . 19 1 1 A 91 91 ASP CA C 69 54.440 56.683 -2.243 1
1 898 . 19 1 1 A 91 91 ASP CB C 69 41.200 39.214 1.986 1
1 899 . 19 1 1 A 91 91 ASP N N 69 121.181 117.622 3.559 1
1 900 . 19 1 1 A 92 92 GLU H H 70 8.320 8.459 -0.139 1
1 901 . 19 1 1 A 92 92 GLU HA H 70 3.892 4.313 -0.421 1
1 906 . 19 1 1 A 92 92 GLU C C 70 177.657 175.700 1.957 1
1 907 . 19 1 1 A 92 92 GLU CA C 70 57.260 59.113 -1.853 1
1 908 . 19 1 1 A 92 92 GLU CB C 70 30.750 30.212 0.538 1
1 910 . 19 1 1 A 92 92 GLU N N 70 120.205 119.216 0.989 1
1 911 . 19 1 1 A 93 93 TYR H H 71 7.251 7.793 -0.542 1
1 912 . 19 1 1 A 93 93 TYR HA H 71 4.550 5.185 -0.635 1
1 919 . 19 1 1 A 93 93 TYR C C 71 175.861 175.025 0.836 1
1 920 . 19 1 1 A 93 93 TYR CA C 71 55.550 56.169 -0.619 1
1 921 . 19 1 1 A 93 93 TYR CB C 71 39.680 40.074 -0.394 1
1 924 . 19 1 1 A 93 93 TYR N N 71 115.349 115.079 0.270 1
1 925 . 19 1 1 A 94 94 HIS H H 72 7.991 8.919 -0.928 1
1 926 . 19 1 1 A 94 94 HIS HA H 72 5.034 5.141 -0.107 1
1 930 . 19 1 1 A 94 94 HIS C C 72 176.157 174.420 1.737 1
1 931 . 19 1 1 A 94 94 HIS CA C 72 54.990 54.365 0.625 1
1 932 . 19 1 1 A 94 94 HIS CB C 72 33.910 32.437 1.473 1
1 934 . 19 1 1 A 94 94 HIS N N 72 120.146 120.037 0.109 1
1 935 . 19 1 1 A 95 95 MET H H 73 9.227 9.031 0.196 1
1 936 . 19 1 1 A 95 95 MET HA H 73 5.306 4.875 0.431 1
1 941 . 19 1 1 A 95 95 MET C C 73 176.891 175.657 1.234 1
1 942 . 19 1 1 A 95 95 MET CA C 73 54.500 54.744 -0.244 1
1 943 . 19 1 1 A 95 95 MET CB C 73 33.690 32.962 0.728 1
1 945 . 19 1 1 A 95 95 MET N N 73 124.691 124.275 0.416 1
1 946 . 19 1 1 A 96 96 VAL H H 74 9.070 9.190 -0.120 1
1 947 . 19 1 1 A 96 96 VAL HA H 74 4.719 4.882 -0.163 1
1 955 . 19 1 1 A 96 96 VAL C C 74 175.653 175.065 0.588 1
1 956 . 19 1 1 A 96 96 VAL CA C 74 60.790 60.849 -0.059 1
1 957 . 19 1 1 A 96 96 VAL CB C 74 35.290 34.302 0.988 1
1 960 . 19 1 1 A 96 96 VAL N N 74 125.298 124.881 0.417 1
1 961 . 19 1 1 A 97 97 HIS H H 75 9.197 9.155 0.042 1
1 962 . 19 1 1 A 97 97 HIS HA H 75 5.213 4.966 0.247 1
1 966 . 19 1 1 A 97 97 HIS C C 75 176.245 175.384 0.861 1
1 967 . 19 1 1 A 97 97 HIS CA C 75 55.800 55.574 0.226 1
1 968 . 19 1 1 A 97 97 HIS CB C 75 32.170 30.887 1.283 1
1 970 . 19 1 1 A 97 97 HIS N N 75 125.299 126.002 -0.703 1
1 971 . 19 1 1 A 98 98 LEU H H 76 8.423 8.693 -0.270 1
1 972 . 19 1 1 A 98 98 LEU HA H 76 5.059 4.511 0.548 1
1 982 . 19 1 1 A 98 98 LEU C C 76 177.592 175.532 2.060 1
1 983 . 19 1 1 A 98 98 LEU CA C 76 54.150 54.874 -0.724 1
1 984 . 19 1 1 A 98 98 LEU CB C 76 43.540 43.583 -0.043 1
1 988 . 19 1 1 A 98 98 LEU N N 76 126.291 126.053 0.238 1
1 13 . 20 1 1 A 24 24 VAL H H 2 8.008 7.988 0.020 1
1 14 . 20 1 1 A 24 24 VAL HA H 2 4.297 4.609 -0.312 1
1 22 . 20 1 1 A 24 24 VAL C C 2 175.571 175.088 0.483 1
1 23 . 20 1 1 A 24 24 VAL CA C 2 60.030 60.493 -0.463 1
1 24 . 20 1 1 A 24 24 VAL CB C 2 34.710 34.652 0.058 1
1 27 . 20 1 1 A 24 24 VAL N N 2 118.399 119.481 -1.082 1
1 28 . 20 1 1 A 25 25 THR H H 3 8.520 8.780 -0.260 1
1 29 . 20 1 1 A 25 25 THR HA H 3 4.738 4.803 -0.065 1
1 34 . 20 1 1 A 25 25 THR C C 3 175.275 173.015 2.260 1
1 35 . 20 1 1 A 25 25 THR CA C 3 62.350 62.429 -0.079 1
1 36 . 20 1 1 A 25 25 THR CB C 3 69.930 68.376 1.554 1
1 38 . 20 1 1 A 25 25 THR N N 3 121.522 123.653 -2.131 1
1 39 . 20 1 1 A 26 26 LEU H H 4 8.929 9.004 -0.075 1
1 40 . 20 1 1 A 26 26 LEU HA H 4 5.102 4.947 0.155 1
1 50 . 20 1 1 A 26 26 LEU C C 4 176.809 174.976 1.833 1
1 51 . 20 1 1 A 26 26 LEU CA C 4 52.850 53.977 -1.127 1
1 52 . 20 1 1 A 26 26 LEU CB C 4 45.140 43.797 1.343 1
1 56 . 20 1 1 A 26 26 LEU N N 4 127.076 128.966 -1.890 1
1 57 . 20 1 1 A 27 27 ILE H H 5 8.990 8.854 0.136 1
1 58 . 20 1 1 A 27 27 ILE HA H 5 4.682 4.538 0.144 1
1 68 . 20 1 1 A 27 27 ILE C C 5 176.962 175.350 1.612 1
1 69 . 20 1 1 A 27 27 ILE CA C 5 59.810 61.150 -1.340 1
1 70 . 20 1 1 A 27 27 ILE CB C 5 38.590 36.699 1.891 1
1 74 . 20 1 1 A 27 27 ILE N N 5 122.974 128.124 -5.150 1
1 75 . 20 1 1 A 28 28 ILE H H 6 9.288 9.097 0.191 1
1 76 . 20 1 1 A 28 28 ILE HA H 6 5.025 4.873 0.152 1
1 86 . 20 1 1 A 28 28 ILE C C 6 178.889 175.326 3.563 1
1 87 . 20 1 1 A 28 28 ILE CA C 6 57.620 60.636 -3.016 1
1 88 . 20 1 1 A 28 28 ILE CB C 6 36.680 37.846 -1.166 1
1 92 . 20 1 1 A 28 28 ILE N N 6 125.520 129.021 -3.501 1
1 93 . 20 1 1 A 29 29 LYS H H 7 8.832 8.627 0.205 1
1 94 . 20 1 1 A 29 29 LYS HA H 7 4.597 4.690 -0.093 1
1 103 . 20 1 1 A 29 29 LYS C C 7 176.414 176.630 -0.216 1
1 104 . 20 1 1 A 29 29 LYS CA C 7 54.240 54.835 -0.595 1
1 105 . 20 1 1 A 29 29 LYS CB C 7 34.050 34.288 -0.238 1
1 109 . 20 1 1 A 29 29 LYS N N 7 130.704 127.521 3.183 1
1 110 . 20 1 1 A 30 30 ALA H H 8 9.021 8.810 0.211 1
1 111 . 20 1 1 A 30 30 ALA HA H 8 5.221 4.549 0.672 1
1 115 . 20 1 1 A 30 30 ALA CA C 8 49.220 50.917 -1.697 1
1 116 . 20 1 1 A 30 30 ALA CB C 8 20.620 18.106 2.514 1
1 117 . 20 1 1 A 30 30 ALA N N 8 126.869 125.487 1.382 1
1 118 . 20 1 1 A 31 31 PRO HA H 9 4.445 4.619 -0.174 1
1 125 . 20 1 1 A 31 31 PRO CA C 9 63.990 65.728 -1.738 1
1 126 . 20 1 1 A 31 31 PRO CB C 9 31.860 31.548 0.312 1
1 129 . 20 1 1 A 32 32 ASN HA H 10 4.531 4.885 -0.354 1
1 134 . 20 1 1 A 32 32 ASN C C 10 176.666 174.671 1.995 1
1 135 . 20 1 1 A 32 32 ASN CA C 10 53.210 52.870 0.340 1
1 136 . 20 1 1 A 32 32 ASN CB C 10 38.150 38.795 -0.645 1
1 138 . 20 1 1 A 33 33 GLN H H 11 8.123 7.922 0.201 1
1 139 . 20 1 1 A 33 33 GLN N N 11 114.038 114.866 -0.828 1
1 140 . 20 1 1 A 34 34 LYS HA H 12 3.817 4.248 -0.431 1
1 149 . 20 1 1 A 34 34 LYS C C 12 178.002 175.727 2.275 1
1 150 . 20 1 1 A 34 34 LYS CA C 12 58.290 58.530 -0.240 1
1 151 . 20 1 1 A 34 34 LYS CB C 12 32.570 32.514 0.056 1
1 155 . 20 1 1 A 35 35 TYR H H 13 6.845 8.068 -1.223 1
1 156 . 20 1 1 A 35 35 TYR HA H 13 4.654 4.845 -0.191 1
1 163 . 20 1 1 A 35 35 TYR CA C 13 56.060 56.605 -0.545 1
1 164 . 20 1 1 A 35 35 TYR CB C 13 41.000 41.636 -0.636 1
1 167 . 20 1 1 A 35 35 TYR N N 13 112.988 120.919 -7.931 1
1 168 . 20 1 1 A 36 36 SER HA H 14 4.376 4.245 0.131 1
1 171 . 20 1 1 A 36 36 SER C C 14 177.170 173.482 3.688 1
1 172 . 20 1 1 A 36 36 SER CA C 14 58.160 58.822 -0.662 1
1 173 . 20 1 1 A 36 36 SER CB C 14 64.000 63.585 0.415 1
1 174 . 20 1 1 A 37 37 ASP H H 15 8.910 8.451 0.459 1
1 175 . 20 1 1 A 37 37 ASP HA H 15 4.622 4.989 -0.367 1
1 178 . 20 1 1 A 37 37 ASP C C 15 178.221 175.824 2.397 1
1 179 . 20 1 1 A 37 37 ASP CA C 15 55.680 53.937 1.743 1
1 180 . 20 1 1 A 37 37 ASP CB C 15 39.640 40.562 -0.922 1
1 181 . 20 1 1 A 37 37 ASP N N 15 125.921 123.066 2.855 1
1 182 . 20 1 1 A 38 38 GLN H H 16 8.224 8.576 -0.352 1
1 183 . 20 1 1 A 38 38 GLN HA H 16 4.653 4.641 0.012 1
1 190 . 20 1 1 A 38 38 GLN C C 16 176.655 175.728 0.927 1
1 191 . 20 1 1 A 38 38 GLN CA C 16 53.230 55.829 -2.599 1
1 192 . 20 1 1 A 38 38 GLN CB C 16 31.390 29.464 1.926 1
1 194 . 20 1 1 A 38 38 GLN N N 16 121.123 124.880 -3.757 1
1 196 . 20 1 1 A 39 39 THR H H 17 8.733 8.639 0.094 1
1 197 . 20 1 1 A 39 39 THR HA H 17 4.936 4.619 0.317 1
1 202 . 20 1 1 A 39 39 THR C C 17 176.173 173.871 2.302 1
1 203 . 20 1 1 A 39 39 THR CA C 17 62.170 61.429 0.741 1
1 204 . 20 1 1 A 39 39 THR CB C 17 69.300 68.502 0.798 1
1 206 . 20 1 1 A 39 39 THR N N 17 120.324 117.374 2.950 1
1 207 . 20 1 1 A 40 40 ILE H H 18 9.424 8.706 0.718 1
1 208 . 20 1 1 A 40 40 ILE HA H 18 4.592 4.637 -0.045 1
1 218 . 20 1 1 A 40 40 ILE C C 18 176.184 175.537 0.647 1
1 219 . 20 1 1 A 40 40 ILE CA C 18 58.200 60.385 -2.185 1
1 220 . 20 1 1 A 40 40 ILE CB C 18 41.130 38.580 2.550 1
1 224 . 20 1 1 A 40 40 ILE N N 18 126.321 128.383 -2.062 1
1 225 . 20 1 1 A 41 41 SER H H 19 8.518 8.629 -0.111 1
1 226 . 20 1 1 A 41 41 SER HA H 19 4.939 4.728 0.211 1
1 229 . 20 1 1 A 41 41 SER C C 19 175.210 174.448 0.762 1
1 230 . 20 1 1 A 41 41 SER CA C 19 57.160 58.721 -1.561 1
1 231 . 20 1 1 A 41 41 SER CB C 19 63.660 63.460 0.200 1
1 232 . 20 1 1 A 41 41 SER N N 19 120.959 122.984 -2.025 1
1 233 . 20 1 1 A 42 42 CYS H H 20 8.444 8.762 -0.318 1
1 234 . 20 1 1 A 42 42 CYS HA H 20 3.546 5.105 -1.559 1
1 237 . 20 1 1 A 42 42 CYS CA C 20 55.410 57.892 -2.482 1
1 238 . 20 1 1 A 42 42 CYS CB C 20 28.570 33.243 -4.673 1
1 239 . 20 1 1 A 42 42 CYS N N 20 120.248 122.012 -1.764 1
1 240 . 20 1 1 A 43 43 PHE HA H 21 4.580 4.891 -0.311 1
1 248 . 20 1 1 A 43 43 PHE C C 21 177.980 175.760 2.220 1
1 249 . 20 1 1 A 43 43 PHE CA C 21 56.490 56.190 0.300 1
1 250 . 20 1 1 A 43 43 PHE CB C 21 42.360 42.418 -0.058 1
1 254 . 20 1 1 A 44 44 LEU H H 22 9.159 8.937 0.222 1
1 255 . 20 1 1 A 44 44 LEU HA H 22 3.779 4.100 -0.321 1
1 265 . 20 1 1 A 44 44 LEU C C 22 178.177 178.628 -0.451 1
1 266 . 20 1 1 A 44 44 LEU CA C 22 56.980 56.913 0.067 1
1 267 . 20 1 1 A 44 44 LEU CB C 22 42.090 41.360 0.730 1
1 271 . 20 1 1 A 44 44 LEU N N 22 120.130 125.211 -5.081 1
1 272 . 20 1 1 A 45 45 ASN H H 23 8.058 8.217 -0.159 1
1 273 . 20 1 1 A 45 45 ASN HA H 23 4.650 4.287 0.363 1
1 276 . 20 1 1 A 45 45 ASN C C 23 178.364 175.650 2.714 1
1 277 . 20 1 1 A 45 45 ASN CA C 23 52.880 56.157 -3.277 1
1 278 . 20 1 1 A 45 45 ASN CB C 23 37.320 38.960 -1.640 1
1 279 . 20 1 1 A 45 45 ASN N N 23 112.017 117.331 -5.314 1
1 280 . 20 1 1 A 46 46 TRP H H 24 7.857 7.633 0.224 1
1 281 . 20 1 1 A 46 46 TRP HA H 24 4.712 4.702 0.010 1
1 290 . 20 1 1 A 46 46 TRP C C 24 178.802 176.483 2.319 1
1 291 . 20 1 1 A 46 46 TRP CA C 24 57.240 57.854 -0.614 1
1 292 . 20 1 1 A 46 46 TRP CB C 24 29.250 29.939 -0.689 1
1 298 . 20 1 1 A 46 46 TRP N N 24 121.301 117.761 3.540 1
1 300 . 20 1 1 A 47 47 THR H H 25 7.473 9.004 -1.531 1
1 301 . 20 1 1 A 47 47 THR HA H 25 5.097 4.696 0.401 1
1 306 . 20 1 1 A 47 47 THR C C 25 178.375 176.329 2.046 1
1 307 . 20 1 1 A 47 47 THR CA C 25 59.940 60.927 -0.987 1
1 308 . 20 1 1 A 47 47 THR CB C 25 71.080 71.074 0.006 1
1 310 . 20 1 1 A 47 47 THR N N 25 109.055 114.581 -5.526 1
1 311 . 20 1 1 A 48 48 VAL H H 26 8.349 8.641 -0.292 1
1 312 . 20 1 1 A 48 48 VAL HA H 26 3.433 3.487 -0.054 1
1 320 . 20 1 1 A 48 48 VAL C C 26 180.548 178.299 2.249 1
1 321 . 20 1 1 A 48 48 VAL CA C 26 66.460 66.510 -0.050 1
1 322 . 20 1 1 A 48 48 VAL CB C 26 31.540 31.485 0.055 1
1 325 . 20 1 1 A 48 48 VAL N N 26 123.048 122.365 0.683 1
1 326 . 20 1 1 A 49 49 GLY H H 27 9.099 8.396 0.703 1
1 327 . 20 1 1 A 49 49 GLY HA2 H 27 3.895 3.765 0.130 1
1 328 . 20 1 1 A 49 49 GLY HA3 H 27 3.512 3.771 -0.259 1
1 329 . 20 1 1 A 49 49 GLY C C 27 177.909 175.310 2.599 1
1 330 . 20 1 1 A 49 49 GLY CA C 27 47.100 47.179 -0.079 1
1 331 . 20 1 1 A 49 49 GLY N N 27 107.086 107.301 -0.215 1
1 332 . 20 1 1 A 50 50 LYS H H 28 7.937 7.844 0.093 1
1 333 . 20 1 1 A 50 50 LYS HA H 28 3.907 3.947 -0.040 1
1 342 . 20 1 1 A 50 50 LYS C C 28 180.866 179.484 1.382 1
1 343 . 20 1 1 A 50 50 LYS CA C 28 59.000 59.354 -0.354 1
1 344 . 20 1 1 A 50 50 LYS CB C 28 31.730 32.185 -0.455 1
1 348 . 20 1 1 A 50 50 LYS N N 28 125.227 122.299 2.928 1
1 349 . 20 1 1 A 51 51 LEU H H 29 8.364 8.153 0.211 1
1 350 . 20 1 1 A 51 51 LEU HA H 29 4.357 4.075 0.282 1
1 360 . 20 1 1 A 51 51 LEU C C 29 180.056 178.438 1.618 1
1 361 . 20 1 1 A 51 51 LEU CA C 29 58.360 57.999 0.361 1
1 362 . 20 1 1 A 51 51 LEU CB C 29 41.510 41.779 -0.269 1
1 366 . 20 1 1 A 51 51 LEU N N 29 122.366 120.958 1.408 1
1 367 . 20 1 1 A 52 52 LYS H H 30 8.711 8.246 0.465 1
1 368 . 20 1 1 A 52 52 LYS HA H 30 4.542 4.076 0.466 1
1 377 . 20 1 1 A 52 52 LYS C C 30 182.257 179.239 3.018 1
1 378 . 20 1 1 A 52 52 LYS CA C 30 59.310 59.263 0.047 1
1 379 . 20 1 1 A 52 52 LYS CB C 30 33.380 32.023 1.357 1
1 383 . 20 1 1 A 52 52 LYS N N 30 119.050 119.012 0.038 1
1 384 . 20 1 1 A 53 53 THR H H 31 8.130 7.950 0.180 1
1 385 . 20 1 1 A 53 53 THR HA H 31 3.655 3.950 -0.295 1
1 390 . 20 1 1 A 53 53 THR C C 31 179.092 176.006 3.086 1
1 391 . 20 1 1 A 53 53 THR CA C 31 66.890 67.129 -0.239 1
1 392 . 20 1 1 A 53 53 THR CB C 31 68.370 68.451 -0.081 1
1 394 . 20 1 1 A 53 53 THR N N 31 118.206 116.793 1.413 1
1 395 . 20 1 1 A 54 54 HIS H H 32 8.310 7.638 0.672 1
1 396 . 20 1 1 A 54 54 HIS HA H 32 4.566 4.231 0.335 1
1 400 . 20 1 1 A 54 54 HIS C C 32 180.735 177.226 3.509 1
1 401 . 20 1 1 A 54 54 HIS CA C 32 60.010 60.147 -0.137 1
1 402 . 20 1 1 A 54 54 HIS CB C 32 31.620 29.473 2.147 1
1 404 . 20 1 1 A 54 54 HIS N N 32 124.425 121.746 2.679 1
1 405 . 20 1 1 A 55 55 LEU H H 33 9.036 8.486 0.550 1
1 406 . 20 1 1 A 55 55 LEU HA H 33 3.958 3.829 0.129 1
1 416 . 20 1 1 A 55 55 LEU C C 33 180.877 179.106 1.771 1
1 417 . 20 1 1 A 55 55 LEU CA C 33 58.180 57.890 0.290 1
1 418 . 20 1 1 A 55 55 LEU CB C 33 40.710 41.715 -1.005 1
1 422 . 20 1 1 A 55 55 LEU N N 33 119.746 121.126 -1.380 1
1 423 . 20 1 1 A 56 56 SER H H 34 8.266 7.945 0.321 1
1 424 . 20 1 1 A 56 56 SER HA H 34 4.159 4.136 0.023 1
1 427 . 20 1 1 A 56 56 SER C C 34 176.015 176.945 -0.930 1
1 428 . 20 1 1 A 56 56 SER CA C 34 61.590 61.155 0.435 1
1 429 . 20 1 1 A 56 56 SER CB C 34 63.600 63.160 0.440 1
1 430 . 20 1 1 A 56 56 SER N N 34 114.534 113.783 0.751 1
1 431 . 20 1 1 A 57 57 ASN H H 35 7.273 7.682 -0.409 1
1 432 . 20 1 1 A 57 57 ASN HA H 35 4.799 4.588 0.211 1
1 437 . 20 1 1 A 57 57 ASN C C 35 179.004 177.533 1.471 1
1 438 . 20 1 1 A 57 57 ASN CA C 35 54.520 55.774 -1.254 1
1 439 . 20 1 1 A 57 57 ASN CB C 35 40.890 39.024 1.866 1
1 440 . 20 1 1 A 57 57 ASN N N 35 115.349 119.567 -4.218 1
1 442 . 20 1 1 A 58 58 VAL H H 36 7.810 7.197 0.613 1
1 443 . 20 1 1 A 58 58 VAL HA H 36 4.309 4.098 0.211 1
1 451 . 20 1 1 A 58 58 VAL C C 36 178.446 175.887 2.559 1
1 452 . 20 1 1 A 58 58 VAL CA C 36 62.350 62.925 -0.575 1
1 453 . 20 1 1 A 58 58 VAL CB C 36 32.980 31.909 1.071 1
1 456 . 20 1 1 A 58 58 VAL N N 36 110.874 112.828 -1.954 1
1 457 . 20 1 1 A 59 59 TYR H H 37 8.896 7.766 1.130 1
1 458 . 20 1 1 A 59 59 TYR HA H 37 4.482 4.745 -0.263 1
1 465 . 20 1 1 A 59 59 TYR CA C 37 57.740 57.195 0.545 1
1 466 . 20 1 1 A 59 59 TYR CB C 37 40.440 39.875 0.565 1
1 469 . 20 1 1 A 59 59 TYR N N 37 127.773 124.964 2.809 1
1 470 . 20 1 1 A 60 60 PRO HA H 38 3.956 4.218 -0.262 1
1 477 . 20 1 1 A 60 60 PRO C C 38 178.511 177.724 0.787 1
1 478 . 20 1 1 A 60 60 PRO CA C 38 65.560 64.896 0.664 1
1 479 . 20 1 1 A 60 60 PRO CB C 38 31.860 32.009 -0.149 1
1 482 . 20 1 1 A 61 61 SER H H 39 6.571 7.785 -1.214 1
1 483 . 20 1 1 A 61 61 SER HA H 39 4.238 4.210 0.028 1
1 486 . 20 1 1 A 61 61 SER C C 39 175.774 174.092 1.682 1
1 487 . 20 1 1 A 61 61 SER CA C 39 58.290 61.068 -2.778 1
1 488 . 20 1 1 A 61 61 SER CB C 39 63.420 63.287 0.133 1
1 489 . 20 1 1 A 61 61 SER N N 39 108.382 112.077 -3.695 1
1 490 . 20 1 1 A 62 62 LYS H H 40 8.384 7.826 0.558 1
1 491 . 20 1 1 A 62 62 LYS HA H 40 3.922 4.345 -0.423 1
1 500 . 20 1 1 A 62 62 LYS CA C 40 56.710 56.560 0.150 1
1 501 . 20 1 1 A 62 62 LYS CB C 40 30.640 30.862 -0.222 1
1 505 . 20 1 1 A 62 62 LYS N N 40 118.443 119.221 -0.778 1
1 506 . 20 1 1 A 63 63 PRO HA H 41 4.284 4.545 -0.261 1
1 513 . 20 1 1 A 63 63 PRO C C 41 179.464 175.827 3.637 1
1 514 . 20 1 1 A 63 63 PRO CA C 41 62.620 62.344 0.276 1
1 515 . 20 1 1 A 63 63 PRO CB C 41 31.640 33.059 -1.419 1
1 518 . 20 1 1 A 64 64 LEU H H 42 8.689 8.503 0.186 1
1 519 . 20 1 1 A 64 64 LEU HA H 42 4.212 4.346 -0.134 1
1 529 . 20 1 1 A 64 64 LEU C C 42 182.476 176.601 5.875 1
1 530 . 20 1 1 A 64 64 LEU CA C 42 54.750 54.218 0.532 1
1 531 . 20 1 1 A 64 64 LEU CB C 42 41.360 40.768 0.592 1
1 535 . 20 1 1 A 64 64 LEU N N 42 122.677 121.974 0.703 1
1 536 . 20 1 1 A 65 65 THR H H 43 8.858 8.550 0.308 1
1 537 . 20 1 1 A 65 65 THR HA H 43 3.779 3.830 -0.051 1
1 542 . 20 1 1 A 65 65 THR C C 43 180.078 176.128 3.950 1
1 543 . 20 1 1 A 65 65 THR CA C 43 66.310 66.422 -0.112 1
1 544 . 20 1 1 A 65 65 THR CB C 43 68.100 68.630 -0.530 1
1 546 . 20 1 1 A 65 65 THR N N 43 116.000 120.150 -4.150 1
1 547 . 20 1 1 A 66 66 LYS H H 44 7.921 8.502 -0.581 1
1 548 . 20 1 1 A 66 66 LYS HA H 44 4.125 4.043 0.082 1
1 557 . 20 1 1 A 66 66 LYS C C 44 177.953 177.977 -0.024 1
1 558 . 20 1 1 A 66 66 LYS CA C 44 57.730 58.819 -1.089 1
1 559 . 20 1 1 A 66 66 LYS CB C 44 31.890 31.946 -0.056 1
1 563 . 20 1 1 A 66 66 LYS N N 44 117.614 120.103 -2.489 1
1 564 . 20 1 1 A 67 67 ASP H H 45 7.394 7.660 -0.266 1
1 565 . 20 1 1 A 67 67 ASP HA H 45 4.746 4.610 0.136 1
1 568 . 20 1 1 A 67 67 ASP C C 45 177.876 176.969 0.907 1
1 569 . 20 1 1 A 67 67 ASP CA C 45 54.350 55.755 -1.405 1
1 570 . 20 1 1 A 67 67 ASP CB C 45 42.090 41.505 0.585 1
1 571 . 20 1 1 A 67 67 ASP N N 45 118.443 117.820 0.623 1
1 572 . 20 1 1 A 68 68 GLN H H 46 7.143 7.596 -0.453 1
1 573 . 20 1 1 A 68 68 GLN HA H 46 4.054 4.573 -0.519 1
1 578 . 20 1 1 A 68 68 GLN C C 46 177.515 175.884 1.631 1
1 579 . 20 1 1 A 68 68 GLN CA C 46 56.750 56.230 0.520 1
1 580 . 20 1 1 A 68 68 GLN CB C 46 31.150 29.492 1.658 1
1 582 . 20 1 1 A 68 68 GLN N N 46 120.205 116.837 3.368 1
1 583 . 20 1 1 A 69 69 ARG H H 47 8.269 8.628 -0.359 1
1 584 . 20 1 1 A 69 69 ARG HA H 47 4.334 5.060 -0.726 1
1 591 . 20 1 1 A 69 69 ARG C C 47 175.708 174.721 0.987 1
1 592 . 20 1 1 A 69 69 ARG CA C 47 55.010 54.331 0.679 1
1 593 . 20 1 1 A 69 69 ARG CB C 47 31.390 33.689 -2.299 1
1 596 . 20 1 1 A 69 69 ARG N N 47 124.781 122.600 2.181 1
1 597 . 20 1 1 A 70 70 LEU H H 48 8.254 9.089 -0.835 1
1 598 . 20 1 1 A 70 70 LEU HA H 48 5.444 4.966 0.478 1
1 608 . 20 1 1 A 70 70 LEU C C 48 177.175 175.828 1.347 1
1 609 . 20 1 1 A 70 70 LEU CA C 48 52.810 53.295 -0.485 1
1 610 . 20 1 1 A 70 70 LEU CB C 48 45.100 42.923 2.177 1
1 614 . 20 1 1 A 70 70 LEU N N 48 122.071 123.193 -1.122 1
1 615 . 20 1 1 A 71 71 VAL H H 49 9.251 9.111 0.140 1
1 616 . 20 1 1 A 71 71 VAL HA H 49 4.889 4.897 -0.008 1
1 624 . 20 1 1 A 71 71 VAL C C 49 177.208 174.384 2.824 1
1 625 . 20 1 1 A 71 71 VAL CA C 49 60.570 61.195 -0.625 1
1 626 . 20 1 1 A 71 71 VAL CB C 49 34.580 33.426 1.154 1
1 629 . 20 1 1 A 71 71 VAL N N 49 122.797 125.812 -3.015 1
1 630 . 20 1 1 A 72 72 TYR H H 50 8.684 9.116 -0.432 1
1 631 . 20 1 1 A 72 72 TYR HA H 50 5.155 4.968 0.187 1
1 638 . 20 1 1 A 72 72 TYR CA C 50 56.060 57.442 -1.382 1
1 639 . 20 1 1 A 72 72 TYR CB C 50 43.140 41.552 1.588 1
1 642 . 20 1 1 A 72 72 TYR N N 50 126.349 127.300 -0.951 1
1 643 . 20 1 1 A 73 73 SER HA H 51 3.673 4.049 -0.376 1
1 646 . 20 1 1 A 73 73 SER C C 51 177.153 174.369 2.784 1
1 647 . 20 1 1 A 73 73 SER CA C 51 58.000 59.734 -1.734 1
1 648 . 20 1 1 A 73 73 SER CB C 51 62.190 61.555 0.635 1
1 649 . 20 1 1 A 74 74 GLY H H 52 8.209 8.430 -0.221 1
1 650 . 20 1 1 A 74 74 GLY HA2 H 52 4.030 4.081 -0.051 1
1 651 . 20 1 1 A 74 74 GLY HA3 H 52 3.346 4.081 -0.735 1
1 652 . 20 1 1 A 74 74 GLY C C 52 175.259 174.472 0.787 1
1 653 . 20 1 1 A 74 74 GLY CA C 52 44.990 45.182 -0.192 1
1 654 . 20 1 1 A 74 74 GLY N N 52 103.501 106.496 -2.995 1
1 655 . 20 1 1 A 75 75 ARG H H 53 7.816 7.703 0.113 1
1 656 . 20 1 1 A 75 75 ARG HA H 53 4.555 4.404 0.151 1
1 663 . 20 1 1 A 75 75 ARG C C 53 176.321 175.154 1.167 1
1 664 . 20 1 1 A 75 75 ARG CA C 53 54.590 55.963 -1.373 1
1 665 . 20 1 1 A 75 75 ARG CB C 53 32.620 31.543 1.077 1
1 668 . 20 1 1 A 75 75 ARG N N 53 121.834 120.225 1.609 1
1 669 . 20 1 1 A 76 76 LEU H H 54 8.470 8.437 0.033 1
1 670 . 20 1 1 A 76 76 LEU HA H 54 4.500 4.925 -0.425 1
1 680 . 20 1 1 A 76 76 LEU C C 54 179.639 174.768 4.871 1
1 681 . 20 1 1 A 76 76 LEU CA C 54 55.260 53.803 1.457 1
1 682 . 20 1 1 A 76 76 LEU CB C 54 42.210 44.526 -2.316 1
1 686 . 20 1 1 A 76 76 LEU N N 54 127.239 123.299 3.940 1
1 687 . 20 1 1 A 77 77 LEU H H 55 8.863 9.133 -0.270 1
1 688 . 20 1 1 A 77 77 LEU HA H 55 4.605 4.843 -0.238 1
1 698 . 20 1 1 A 77 77 LEU CA C 55 52.230 51.309 0.921 1
1 699 . 20 1 1 A 77 77 LEU CB C 55 43.090 42.226 0.864 1
1 703 . 20 1 1 A 77 77 LEU N N 55 127.741 128.379 -0.638 1
1 704 . 20 1 1 A 78 78 PRO HA H 56 4.708 4.728 -0.020 1
1 711 . 20 1 1 A 78 78 PRO C C 56 179.519 176.824 2.695 1
1 712 . 20 1 1 A 78 78 PRO CA C 56 61.780 61.923 -0.143 1
1 713 . 20 1 1 A 78 78 PRO CB C 56 32.600 32.586 0.014 1
1 716 . 20 1 1 A 79 79 ASP H H 57 8.109 8.717 -0.608 1
1 717 . 20 1 1 A 79 79 ASP HA H 57 4.122 4.185 -0.063 1
1 720 . 20 1 1 A 79 79 ASP C C 57 179.782 177.521 2.261 1
1 721 . 20 1 1 A 79 79 ASP CA C 57 57.380 55.864 1.516 1
1 722 . 20 1 1 A 79 79 ASP CB C 57 41.200 39.933 1.267 1
1 723 . 20 1 1 A 79 79 ASP N N 57 116.504 121.584 -5.080 1
1 724 . 20 1 1 A 80 80 HIS H H 58 7.815 7.673 0.142 1
1 725 . 20 1 1 A 80 80 HIS HA H 58 4.519 4.413 0.106 1
1 730 . 20 1 1 A 80 80 HIS C C 58 177.668 175.436 2.232 1
1 731 . 20 1 1 A 80 80 HIS CA C 58 57.110 58.280 -1.170 1
1 732 . 20 1 1 A 80 80 HIS CB C 58 30.770 29.044 1.726 1
1 735 . 20 1 1 A 80 80 HIS N N 58 112.239 115.398 -3.159 1
1 736 . 20 1 1 A 81 81 LEU H H 59 6.281 6.690 -0.409 1
1 737 . 20 1 1 A 81 81 LEU HA H 59 4.157 4.684 -0.527 1
1 747 . 20 1 1 A 81 81 LEU C C 59 178.501 176.644 1.857 1
1 748 . 20 1 1 A 81 81 LEU CA C 59 53.970 53.007 0.963 1
1 749 . 20 1 1 A 81 81 LEU CB C 59 43.360 44.300 -0.940 1
1 753 . 20 1 1 A 81 81 LEU N N 59 120.531 117.625 2.906 1
1 754 . 20 1 1 A 82 82 GLN H H 60 8.863 8.880 -0.017 1
1 755 . 20 1 1 A 82 82 GLN HA H 60 4.891 4.448 0.443 1
1 762 . 20 1 1 A 82 82 GLN C C 60 180.417 177.543 2.874 1
1 763 . 20 1 1 A 82 82 GLN CA C 60 54.880 55.091 -0.211 1
1 764 . 20 1 1 A 82 82 GLN CB C 60 31.480 29.622 1.858 1
1 766 . 20 1 1 A 82 82 GLN N N 60 118.014 119.614 -1.600 1
1 768 . 20 1 1 A 83 83 LEU H H 61 8.688 8.453 0.235 1
1 769 . 20 1 1 A 83 83 LEU HA H 61 3.705 3.863 -0.158 1
1 779 . 20 1 1 A 83 83 LEU C C 61 181.775 178.715 3.060 1
1 780 . 20 1 1 A 83 83 LEU CA C 61 58.510 58.004 0.506 1
1 781 . 20 1 1 A 83 83 LEU CB C 61 40.330 41.282 -0.952 1
1 785 . 20 1 1 A 83 83 LEU N N 61 121.910 124.240 -2.330 1
1 786 . 20 1 1 A 84 84 LYS H H 62 8.525 7.787 0.738 1
1 787 . 20 1 1 A 84 84 LYS HA H 62 3.972 4.016 -0.044 1
1 796 . 20 1 1 A 84 84 LYS C C 62 177.865 178.155 -0.290 1
1 797 . 20 1 1 A 84 84 LYS CA C 62 57.690 59.047 -1.357 1
1 798 . 20 1 1 A 84 84 LYS CB C 62 31.440 32.191 -0.751 1
1 802 . 20 1 1 A 84 84 LYS N N 62 115.896 117.329 -1.433 1
1 803 . 20 1 1 A 85 85 ASP H H 63 7.598 7.861 -0.263 1
1 804 . 20 1 1 A 85 85 ASP HA H 63 4.710 4.398 0.312 1
1 807 . 20 1 1 A 85 85 ASP C C 63 177.307 177.320 -0.013 1
1 808 . 20 1 1 A 85 85 ASP CA C 63 55.460 56.762 -1.302 1
1 809 . 20 1 1 A 85 85 ASP CB C 63 42.000 41.671 0.329 1
1 810 . 20 1 1 A 85 85 ASP N N 63 118.917 119.569 -0.652 1
1 811 . 20 1 1 A 86 86 ILE H H 64 7.417 7.253 0.164 1
1 812 . 20 1 1 A 86 86 ILE HA H 64 4.027 4.078 -0.051 1
1 822 . 20 1 1 A 86 86 ILE C C 64 177.055 177.139 -0.084 1
1 823 . 20 1 1 A 86 86 ILE CA C 64 62.150 62.693 -0.543 1
1 824 . 20 1 1 A 86 86 ILE CB C 64 42.670 39.400 3.270 1
1 828 . 20 1 1 A 86 86 ILE N N 64 117.599 116.895 0.704 1
1 829 . 20 1 1 A 87 87 LEU H H 65 7.399 7.564 -0.165 1
1 830 . 20 1 1 A 87 87 LEU HA H 65 3.695 4.046 -0.351 1
1 840 . 20 1 1 A 87 87 LEU C C 65 179.409 177.660 1.749 1
1 841 . 20 1 1 A 87 87 LEU CA C 65 55.040 54.222 0.818 1
1 842 . 20 1 1 A 87 87 LEU CB C 65 40.910 40.951 -0.041 1
1 846 . 20 1 1 A 87 87 LEU N N 65 116.948 120.180 -3.232 1
1 847 . 20 1 1 A 88 88 ARG H H 66 7.954 8.336 -0.382 1
1 848 . 20 1 1 A 88 88 ARG HA H 66 4.227 4.117 0.110 1
1 855 . 20 1 1 A 88 88 ARG C C 66 179.333 178.237 1.096 1
1 856 . 20 1 1 A 88 88 ARG CA C 66 56.960 57.781 -0.821 1
1 857 . 20 1 1 A 88 88 ARG CB C 66 30.570 28.875 1.695 1
1 860 . 20 1 1 A 88 88 ARG N N 66 122.752 119.718 3.034 1
1 861 . 20 1 1 A 89 89 LYS H H 67 8.374 7.822 0.552 1
1 862 . 20 1 1 A 89 89 LYS HA H 67 3.948 4.143 -0.195 1
1 871 . 20 1 1 A 89 89 LYS C C 67 179.278 178.752 0.526 1
1 872 . 20 1 1 A 89 89 LYS CA C 67 58.560 59.467 -0.907 1
1 873 . 20 1 1 A 89 89 LYS CB C 67 32.620 32.500 0.120 1
1 877 . 20 1 1 A 89 89 LYS N N 67 124.661 118.981 5.680 1
1 878 . 20 1 1 A 90 90 GLN H H 68 8.616 8.129 0.487 1
1 879 . 20 1 1 A 90 90 GLN HA H 68 4.169 4.257 -0.088 1
1 886 . 20 1 1 A 90 90 GLN C C 68 177.778 176.123 1.655 1
1 887 . 20 1 1 A 90 90 GLN CA C 68 56.670 55.792 0.878 1
1 888 . 20 1 1 A 90 90 GLN CB C 68 28.230 29.012 -0.782 1
1 890 . 20 1 1 A 90 90 GLN N N 68 115.896 118.662 -2.766 1
1 892 . 20 1 1 A 91 91 ASP H H 69 7.319 8.058 -0.739 1
1 893 . 20 1 1 A 91 91 ASP HA H 69 4.523 4.867 -0.344 1
1 896 . 20 1 1 A 91 91 ASP C C 69 177.164 176.722 0.442 1
1 897 . 20 1 1 A 91 91 ASP CA C 69 54.440 56.343 -1.903 1
1 898 . 20 1 1 A 91 91 ASP CB C 69 41.200 40.440 0.760 1
1 899 . 20 1 1 A 91 91 ASP N N 69 121.181 119.100 2.081 1
1 900 . 20 1 1 A 92 92 GLU H H 70 8.320 8.297 0.023 1
1 901 . 20 1 1 A 92 92 GLU HA H 70 3.892 4.152 -0.260 1
1 906 . 20 1 1 A 92 92 GLU C C 70 177.657 175.538 2.119 1
1 907 . 20 1 1 A 92 92 GLU CA C 70 57.260 58.990 -1.730 1
1 908 . 20 1 1 A 92 92 GLU CB C 70 30.750 30.212 0.538 1
1 910 . 20 1 1 A 92 92 GLU N N 70 120.205 118.891 1.314 1
1 911 . 20 1 1 A 93 93 TYR H H 71 7.251 7.692 -0.441 1
1 912 . 20 1 1 A 93 93 TYR HA H 71 4.550 5.031 -0.481 1
1 919 . 20 1 1 A 93 93 TYR C C 71 175.861 175.110 0.751 1
1 920 . 20 1 1 A 93 93 TYR CA C 71 55.550 56.666 -1.116 1
1 921 . 20 1 1 A 93 93 TYR CB C 71 39.680 39.789 -0.109 1
1 924 . 20 1 1 A 93 93 TYR N N 71 115.349 116.059 -0.710 1
1 925 . 20 1 1 A 94 94 HIS H H 72 7.991 8.852 -0.861 1
1 926 . 20 1 1 A 94 94 HIS HA H 72 5.034 5.276 -0.242 1
1 930 . 20 1 1 A 94 94 HIS C C 72 176.157 174.217 1.940 1
1 931 . 20 1 1 A 94 94 HIS CA C 72 54.990 54.431 0.559 1
1 932 . 20 1 1 A 94 94 HIS CB C 72 33.910 31.758 2.152 1
1 934 . 20 1 1 A 94 94 HIS N N 72 120.146 120.102 0.044 1
1 935 . 20 1 1 A 95 95 MET H H 73 9.227 9.131 0.096 1
1 936 . 20 1 1 A 95 95 MET HA H 73 5.306 5.052 0.254 1
1 941 . 20 1 1 A 95 95 MET C C 73 176.891 175.494 1.397 1
1 942 . 20 1 1 A 95 95 MET CA C 73 54.500 54.905 -0.405 1
1 943 . 20 1 1 A 95 95 MET CB C 73 33.690 32.325 1.365 1
1 945 . 20 1 1 A 95 95 MET N N 73 124.691 124.742 -0.051 1
1 946 . 20 1 1 A 96 96 VAL H H 74 9.070 9.030 0.040 1
1 947 . 20 1 1 A 96 96 VAL HA H 74 4.719 4.918 -0.199 1
1 955 . 20 1 1 A 96 96 VAL C C 74 175.653 174.687 0.966 1
1 956 . 20 1 1 A 96 96 VAL CA C 74 60.790 61.187 -0.397 1
1 957 . 20 1 1 A 96 96 VAL CB C 74 35.290 33.354 1.936 1
1 960 . 20 1 1 A 96 96 VAL N N 74 125.298 125.530 -0.232 1
1 961 . 20 1 1 A 97 97 HIS H H 75 9.197 9.188 0.009 1
1 962 . 20 1 1 A 97 97 HIS HA H 75 5.213 4.836 0.377 1
1 966 . 20 1 1 A 97 97 HIS C C 75 176.245 175.125 1.120 1
1 967 . 20 1 1 A 97 97 HIS CA C 75 55.800 55.052 0.748 1
1 968 . 20 1 1 A 97 97 HIS CB C 75 32.170 30.529 1.641 1
1 970 . 20 1 1 A 97 97 HIS N N 75 125.299 127.359 -2.060 1
1 971 . 20 1 1 A 98 98 LEU H H 76 8.423 8.746 -0.323 1
1 972 . 20 1 1 A 98 98 LEU HA H 76 5.059 4.258 0.801 1
1 982 . 20 1 1 A 98 98 LEU C C 76 177.592 176.301 1.291 1
1 983 . 20 1 1 A 98 98 LEU CA C 76 54.150 55.386 -1.236 1
1 984 . 20 1 1 A 98 98 LEU CB C 76 43.540 42.098 1.442 1
1 988 . 20 1 1 A 98 98 LEU N N 76 126.291 127.319 -1.028 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 66 2.277 1
2 1 1 1 "RMS(OBS, PRED)" CA 74 1.216 1
3 1 1 1 "RMS(OBS, PRED)" CB 72 1.444 1
4 1 1 1 "RMS(OBS, PRED)" H 66 0.522 1
5 1 1 1 "RMS(OBS, PRED)" HA 76 0.350 1
6 1 1 1 "RMS(OBS, PRED)" N 66 2.864 1
7 1 2 1 "RMS(OBS, PRED)" C 66 2.185 1
8 1 2 1 "RMS(OBS, PRED)" CA 74 1.150 1
9 1 2 1 "RMS(OBS, PRED)" CB 72 1.467 1
10 1 2 1 "RMS(OBS, PRED)" H 66 0.533 1
11 1 2 1 "RMS(OBS, PRED)" HA 76 0.344 1
12 1 2 1 "RMS(OBS, PRED)" N 66 2.954 1
13 1 3 1 "RMS(OBS, PRED)" C 66 2.201 1
14 1 3 1 "RMS(OBS, PRED)" CA 74 1.221 1
15 1 3 1 "RMS(OBS, PRED)" CB 72 1.452 1
16 1 3 1 "RMS(OBS, PRED)" H 66 0.541 1
17 1 3 1 "RMS(OBS, PRED)" HA 76 0.385 1
18 1 3 1 "RMS(OBS, PRED)" N 66 2.915 1
19 1 4 1 "RMS(OBS, PRED)" C 66 2.195 1
20 1 4 1 "RMS(OBS, PRED)" CA 74 1.193 1
21 1 4 1 "RMS(OBS, PRED)" CB 72 1.508 1
22 1 4 1 "RMS(OBS, PRED)" H 66 0.531 1
23 1 4 1 "RMS(OBS, PRED)" HA 76 0.380 1
24 1 4 1 "RMS(OBS, PRED)" N 66 2.823 1
25 1 5 1 "RMS(OBS, PRED)" C 66 2.196 1
26 1 5 1 "RMS(OBS, PRED)" CA 74 1.258 1
27 1 5 1 "RMS(OBS, PRED)" CB 72 1.469 1
28 1 5 1 "RMS(OBS, PRED)" H 66 0.533 1
29 1 5 1 "RMS(OBS, PRED)" HA 76 0.387 1
30 1 5 1 "RMS(OBS, PRED)" N 66 2.738 1
31 1 6 1 "RMS(OBS, PRED)" C 66 2.179 1
32 1 6 1 "RMS(OBS, PRED)" CA 74 1.231 1
33 1 6 1 "RMS(OBS, PRED)" CB 72 1.538 1
34 1 6 1 "RMS(OBS, PRED)" H 66 0.527 1
35 1 6 1 "RMS(OBS, PRED)" HA 76 0.380 1
36 1 6 1 "RMS(OBS, PRED)" N 66 2.737 1
37 1 7 1 "RMS(OBS, PRED)" C 66 2.167 1
38 1 7 1 "RMS(OBS, PRED)" CA 74 1.244 1
39 1 7 1 "RMS(OBS, PRED)" CB 72 1.403 1
40 1 7 1 "RMS(OBS, PRED)" H 66 0.505 1
41 1 7 1 "RMS(OBS, PRED)" HA 76 0.376 1
42 1 7 1 "RMS(OBS, PRED)" N 66 2.728 1
43 1 8 1 "RMS(OBS, PRED)" C 66 2.217 1
44 1 8 1 "RMS(OBS, PRED)" CA 74 1.213 1
45 1 8 1 "RMS(OBS, PRED)" CB 72 1.346 1
46 1 8 1 "RMS(OBS, PRED)" H 66 0.489 1
47 1 8 1 "RMS(OBS, PRED)" HA 76 0.353 1
48 1 8 1 "RMS(OBS, PRED)" N 66 2.855 1
49 1 9 1 "RMS(OBS, PRED)" C 66 2.319 1
50 1 9 1 "RMS(OBS, PRED)" CA 74 1.291 1
51 1 9 1 "RMS(OBS, PRED)" CB 72 1.565 1
52 1 9 1 "RMS(OBS, PRED)" H 66 0.529 1
53 1 9 1 "RMS(OBS, PRED)" HA 76 0.392 1
54 1 9 1 "RMS(OBS, PRED)" N 66 3.002 1
55 1 10 1 "RMS(OBS, PRED)" C 66 2.215 1
56 1 10 1 "RMS(OBS, PRED)" CA 74 1.236 1
57 1 10 1 "RMS(OBS, PRED)" CB 72 1.541 1
58 1 10 1 "RMS(OBS, PRED)" H 66 0.500 1
59 1 10 1 "RMS(OBS, PRED)" HA 76 0.370 1
60 1 10 1 "RMS(OBS, PRED)" N 66 2.977 1
61 1 11 1 "RMS(OBS, PRED)" C 66 2.237 1
62 1 11 1 "RMS(OBS, PRED)" CA 74 1.212 1
63 1 11 1 "RMS(OBS, PRED)" CB 72 1.332 1
64 1 11 1 "RMS(OBS, PRED)" H 66 0.533 1
65 1 11 1 "RMS(OBS, PRED)" HA 76 0.361 1
66 1 11 1 "RMS(OBS, PRED)" N 66 2.721 1
67 1 12 1 "RMS(OBS, PRED)" C 66 2.185 1
68 1 12 1 "RMS(OBS, PRED)" CA 74 1.246 1
69 1 12 1 "RMS(OBS, PRED)" CB 72 1.408 1
70 1 12 1 "RMS(OBS, PRED)" H 66 0.536 1
71 1 12 1 "RMS(OBS, PRED)" HA 76 0.383 1
72 1 12 1 "RMS(OBS, PRED)" N 66 2.972 1
73 1 13 1 "RMS(OBS, PRED)" C 66 2.234 1
74 1 13 1 "RMS(OBS, PRED)" CA 74 1.175 1
75 1 13 1 "RMS(OBS, PRED)" CB 72 1.515 1
76 1 13 1 "RMS(OBS, PRED)" H 66 0.525 1
77 1 13 1 "RMS(OBS, PRED)" HA 76 0.373 1
78 1 13 1 "RMS(OBS, PRED)" N 66 2.907 1
79 1 14 1 "RMS(OBS, PRED)" C 66 2.258 1
80 1 14 1 "RMS(OBS, PRED)" CA 74 1.256 1
81 1 14 1 "RMS(OBS, PRED)" CB 72 1.495 1
82 1 14 1 "RMS(OBS, PRED)" H 66 0.520 1
83 1 14 1 "RMS(OBS, PRED)" HA 76 0.377 1
84 1 14 1 "RMS(OBS, PRED)" N 66 2.747 1
85 1 15 1 "RMS(OBS, PRED)" C 66 2.192 1
86 1 15 1 "RMS(OBS, PRED)" CA 74 1.210 1
87 1 15 1 "RMS(OBS, PRED)" CB 72 1.392 1
88 1 15 1 "RMS(OBS, PRED)" H 66 0.540 1
89 1 15 1 "RMS(OBS, PRED)" HA 76 0.380 1
90 1 15 1 "RMS(OBS, PRED)" N 66 2.784 1
91 1 16 1 "RMS(OBS, PRED)" C 66 2.154 1
92 1 16 1 "RMS(OBS, PRED)" CA 74 1.156 1
93 1 16 1 "RMS(OBS, PRED)" CB 72 1.332 1
94 1 16 1 "RMS(OBS, PRED)" H 66 0.507 1
95 1 16 1 "RMS(OBS, PRED)" HA 76 0.333 1
96 1 16 1 "RMS(OBS, PRED)" N 66 2.867 1
97 1 17 1 "RMS(OBS, PRED)" C 66 2.165 1
98 1 17 1 "RMS(OBS, PRED)" CA 74 1.167 1
99 1 17 1 "RMS(OBS, PRED)" CB 72 1.365 1
100 1 17 1 "RMS(OBS, PRED)" H 66 0.554 1
101 1 17 1 "RMS(OBS, PRED)" HA 76 0.367 1
102 1 17 1 "RMS(OBS, PRED)" N 66 2.873 1
103 1 18 1 "RMS(OBS, PRED)" C 66 2.178 1
104 1 18 1 "RMS(OBS, PRED)" CA 74 1.130 1
105 1 18 1 "RMS(OBS, PRED)" CB 72 1.424 1
106 1 18 1 "RMS(OBS, PRED)" H 66 0.493 1
107 1 18 1 "RMS(OBS, PRED)" HA 76 0.366 1
108 1 18 1 "RMS(OBS, PRED)" N 66 2.658 1
109 1 19 1 "RMS(OBS, PRED)" C 66 2.172 1
110 1 19 1 "RMS(OBS, PRED)" CA 74 1.255 1
111 1 19 1 "RMS(OBS, PRED)" CB 72 1.391 1
112 1 19 1 "RMS(OBS, PRED)" H 66 0.519 1
113 1 19 1 "RMS(OBS, PRED)" HA 76 0.333 1
114 1 19 1 "RMS(OBS, PRED)" N 66 2.757 1
115 1 20 1 "RMS(OBS, PRED)" C 66 2.208 1
116 1 20 1 "RMS(OBS, PRED)" CA 74 1.190 1
117 1 20 1 "RMS(OBS, PRED)" CB 72 1.378 1
118 1 20 1 "RMS(OBS, PRED)" H 66 0.496 1
119 1 20 1 "RMS(OBS, PRED)" HA 76 0.356 1
120 1 20 1 "RMS(OBS, PRED)" N 66 2.870 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 13 . 1 1 A 24 24 VAL H H 2 8.008 8.173 -0.165 2
1 14 . 1 1 A 24 24 VAL HA H 2 4.297 4.331 -0.034 2
1 22 . 1 1 A 24 24 VAL C C 2 175.571 175.506 0.065 2
1 23 . 1 1 A 24 24 VAL CA C 2 60.030 61.470 -1.440 2
1 24 . 1 1 A 24 24 VAL CB C 2 34.710 32.500 2.210 2
1 27 . 1 1 A 24 24 VAL N N 2 118.399 120.940 -2.541 2
1 28 . 1 1 A 25 25 THR H H 3 8.520 8.743 -0.223 2
1 29 . 1 1 A 25 25 THR HA H 3 4.738 4.543 0.195 2
1 34 . 1 1 A 25 25 THR C C 3 175.275 173.136 2.139 2
1 35 . 1 1 A 25 25 THR CA C 3 62.350 62.817 -0.467 2
1 36 . 1 1 A 25 25 THR CB C 3 69.930 68.385 1.545 2
1 38 . 1 1 A 25 25 THR N N 3 121.522 123.013 -1.491 2
1 39 . 1 1 A 26 26 LEU H H 4 8.929 9.068 -0.139 2
1 40 . 1 1 A 26 26 LEU HA H 4 5.102 4.939 0.163 2
1 50 . 1 1 A 26 26 LEU C C 4 176.809 174.978 1.831 2
1 51 . 1 1 A 26 26 LEU CA C 4 52.850 53.957 -1.107 2
1 52 . 1 1 A 26 26 LEU CB C 4 45.140 43.774 1.366 2
1 56 . 1 1 A 26 26 LEU N N 4 127.076 128.956 -1.880 2
1 57 . 1 1 A 27 27 ILE H H 5 8.990 8.848 0.142 2
1 58 . 1 1 A 27 27 ILE HA H 5 4.682 4.625 0.057 2
1 68 . 1 1 A 27 27 ILE C C 5 176.962 175.393 1.569 2
1 69 . 1 1 A 27 27 ILE CA C 5 59.810 61.157 -1.347 2
1 70 . 1 1 A 27 27 ILE CB C 5 38.590 36.806 1.784 2
1 74 . 1 1 A 27 27 ILE N N 5 122.974 127.858 -4.884 2
1 75 . 1 1 A 28 28 ILE H H 6 9.288 8.942 0.346 2
1 76 . 1 1 A 28 28 ILE HA H 6 5.025 4.634 0.391 2
1 86 . 1 1 A 28 28 ILE C C 6 178.889 175.439 3.450 2
1 87 . 1 1 A 28 28 ILE CA C 6 57.620 60.953 -3.333 2
1 88 . 1 1 A 28 28 ILE CB C 6 36.680 37.331 -0.651 2
1 92 . 1 1 A 28 28 ILE N N 6 125.520 129.110 -3.590 2
1 93 . 1 1 A 29 29 LYS H H 7 8.832 8.756 0.076 2
1 94 . 1 1 A 29 29 LYS HA H 7 4.597 4.834 -0.237 2
1 103 . 1 1 A 29 29 LYS C C 7 176.414 175.946 0.468 2
1 104 . 1 1 A 29 29 LYS CA C 7 54.240 54.817 -0.577 2
1 105 . 1 1 A 29 29 LYS CB C 7 34.050 34.302 -0.252 2
1 109 . 1 1 A 29 29 LYS N N 7 130.704 127.456 3.248 2
1 110 . 1 1 A 30 30 ALA H H 8 9.021 8.647 0.374 2
1 111 . 1 1 A 30 30 ALA HA H 8 5.221 4.654 0.567 2
1 115 . 1 1 A 30 30 ALA CA C 8 49.220 50.612 -1.392 2
1 116 . 1 1 A 30 30 ALA CB C 8 20.620 18.839 1.781 2
1 117 . 1 1 A 30 30 ALA N N 8 126.869 126.466 0.403 2
1 118 . 1 1 A 31 31 PRO HA H 9 4.445 4.433 0.012 2
1 125 . 1 1 A 31 31 PRO CA C 9 63.990 65.235 -1.245 2
1 126 . 1 1 A 31 31 PRO CB C 9 31.860 31.833 0.027 2
1 129 . 1 1 A 32 32 ASN HA H 10 4.531 4.801 -0.270 2
1 134 . 1 1 A 32 32 ASN C C 10 176.666 175.230 1.436 2
1 135 . 1 1 A 32 32 ASN CA C 10 53.210 54.002 -0.792 2
1 136 . 1 1 A 32 32 ASN CB C 10 38.150 39.013 -0.863 2
1 138 . 1 1 A 33 33 GLN H H 11 8.123 7.926 0.197 2
1 139 . 1 1 A 33 33 GLN N N 11 114.038 117.645 -3.607 2
1 140 . 1 1 A 34 34 LYS HA H 12 3.817 4.043 -0.226 2
1 149 . 1 1 A 34 34 LYS C C 12 178.002 176.095 1.907 2
1 150 . 1 1 A 34 34 LYS CA C 12 58.290 58.600 -0.310 2
1 151 . 1 1 A 34 34 LYS CB C 12 32.570 32.408 0.162 2
1 155 . 1 1 A 35 35 TYR H H 13 6.845 8.040 -1.195 2
1 156 . 1 1 A 35 35 TYR HA H 13 4.654 4.878 -0.224 2
1 163 . 1 1 A 35 35 TYR CA C 13 56.060 57.389 -1.329 2
1 164 . 1 1 A 35 35 TYR CB C 13 41.000 40.004 0.996 2
1 167 . 1 1 A 35 35 TYR N N 13 112.988 117.959 -4.971 2
1 168 . 1 1 A 36 36 SER HA H 14 4.376 4.590 -0.214 2
1 171 . 1 1 A 36 36 SER C C 14 177.170 173.683 3.487 2
1 172 . 1 1 A 36 36 SER CA C 14 58.160 58.055 0.105 2
1 173 . 1 1 A 36 36 SER CB C 14 64.000 64.468 -0.468 2
1 174 . 1 1 A 37 37 ASP H H 15 8.910 8.618 0.292 2
1 175 . 1 1 A 37 37 ASP HA H 15 4.622 4.813 -0.191 2
1 178 . 1 1 A 37 37 ASP C C 15 178.221 175.597 2.624 2
1 179 . 1 1 A 37 37 ASP CA C 15 55.680 54.064 1.616 2
1 180 . 1 1 A 37 37 ASP CB C 15 39.640 40.326 -0.686 2
1 181 . 1 1 A 37 37 ASP N N 15 125.921 122.269 3.652 2
1 182 . 1 1 A 38 38 GLN H H 16 8.224 8.680 -0.456 2
1 183 . 1 1 A 38 38 GLN HA H 16 4.653 4.717 -0.064 2
1 190 . 1 1 A 38 38 GLN C C 16 176.655 175.437 1.218 2
1 191 . 1 1 A 38 38 GLN CA C 16 53.230 55.465 -2.235 2
1 192 . 1 1 A 38 38 GLN CB C 16 31.390 29.666 1.724 2
1 194 . 1 1 A 38 38 GLN N N 16 121.123 124.401 -3.278 2
1 196 . 1 1 A 39 39 THR H H 17 8.733 8.560 0.173 2
1 197 . 1 1 A 39 39 THR HA H 17 4.936 4.694 0.242 2
1 202 . 1 1 A 39 39 THR C C 17 176.173 173.782 2.391 2
1 203 . 1 1 A 39 39 THR CA C 17 62.170 61.286 0.884 2
1 204 . 1 1 A 39 39 THR CB C 17 69.300 68.642 0.658 2
1 206 . 1 1 A 39 39 THR N N 17 120.324 116.971 3.353 2
1 207 . 1 1 A 40 40 ILE H H 18 9.424 8.830 0.594 2
1 208 . 1 1 A 40 40 ILE HA H 18 4.592 4.638 -0.046 2
1 218 . 1 1 A 40 40 ILE C C 18 176.184 175.340 0.844 2
1 219 . 1 1 A 40 40 ILE CA C 18 58.200 60.574 -2.374 2
1 220 . 1 1 A 40 40 ILE CB C 18 41.130 38.344 2.786 2
1 224 . 1 1 A 40 40 ILE N N 18 126.321 128.403 -2.082 2
1 225 . 1 1 A 41 41 SER H H 19 8.518 8.702 -0.184 2
1 226 . 1 1 A 41 41 SER HA H 19 4.939 4.685 0.254 2
1 229 . 1 1 A 41 41 SER C C 19 175.210 174.434 0.776 2
1 230 . 1 1 A 41 41 SER CA C 19 57.160 58.434 -1.274 2
1 231 . 1 1 A 41 41 SER CB C 19 63.660 63.443 0.217 2
1 232 . 1 1 A 41 41 SER N N 19 120.959 122.856 -1.897 2
1 233 . 1 1 A 42 42 CYS H H 20 8.444 8.700 -0.256 2
1 234 . 1 1 A 42 42 CYS HA H 20 3.546 5.226 -1.680 2
1 237 . 1 1 A 42 42 CYS CA C 20 55.410 57.020 -1.610 2
1 238 . 1 1 A 42 42 CYS CB C 20 28.570 32.387 -3.817 2
1 239 . 1 1 A 42 42 CYS N N 20 120.248 122.326 -2.078 2
1 240 . 1 1 A 43 43 PHE HA H 21 4.580 4.855 -0.275 2
1 248 . 1 1 A 43 43 PHE C C 21 177.980 175.705 2.275 2
1 249 . 1 1 A 43 43 PHE CA C 21 56.490 56.247 0.243 2
1 250 . 1 1 A 43 43 PHE CB C 21 42.360 42.037 0.323 2
1 254 . 1 1 A 44 44 LEU H H 22 9.159 8.766 0.393 2
1 255 . 1 1 A 44 44 LEU HA H 22 3.779 4.129 -0.350 2
1 265 . 1 1 A 44 44 LEU C C 22 178.177 178.399 -0.222 2
1 266 . 1 1 A 44 44 LEU CA C 22 56.980 56.425 0.555 2
1 267 . 1 1 A 44 44 LEU CB C 22 42.090 41.336 0.754 2
1 271 . 1 1 A 44 44 LEU N N 22 120.130 125.098 -4.968 2
1 272 . 1 1 A 45 45 ASN H H 23 8.058 8.030 0.028 2
1 273 . 1 1 A 45 45 ASN HA H 23 4.650 4.281 0.369 2
1 276 . 1 1 A 45 45 ASN C C 23 178.364 175.824 2.540 2
1 277 . 1 1 A 45 45 ASN CA C 23 52.880 56.213 -3.333 2
1 278 . 1 1 A 45 45 ASN CB C 23 37.320 38.611 -1.291 2
1 279 . 1 1 A 45 45 ASN N N 23 112.017 116.802 -4.785 2
1 280 . 1 1 A 46 46 TRP H H 24 7.857 7.489 0.368 2
1 281 . 1 1 A 46 46 TRP HA H 24 4.712 4.809 -0.097 2
1 290 . 1 1 A 46 46 TRP C C 24 178.802 176.382 2.420 2
1 291 . 1 1 A 46 46 TRP CA C 24 57.240 57.510 -0.270 2
1 292 . 1 1 A 46 46 TRP CB C 24 29.250 30.698 -1.448 2
1 298 . 1 1 A 46 46 TRP N N 24 121.301 118.162 3.139 2
1 300 . 1 1 A 47 47 THR H H 25 7.473 8.990 -1.517 2
1 301 . 1 1 A 47 47 THR HA H 25 5.097 4.709 0.388 2
1 306 . 1 1 A 47 47 THR C C 25 178.375 176.383 1.992 2
1 307 . 1 1 A 47 47 THR CA C 25 59.940 60.725 -0.785 2
1 308 . 1 1 A 47 47 THR CB C 25 71.080 71.314 -0.235 2
1 310 . 1 1 A 47 47 THR N N 25 109.055 114.160 -5.105 2
1 311 . 1 1 A 48 48 VAL H H 26 8.349 8.599 -0.250 2
1 312 . 1 1 A 48 48 VAL HA H 26 3.433 3.500 -0.067 2
1 320 . 1 1 A 48 48 VAL C C 26 180.548 178.307 2.241 2
1 321 . 1 1 A 48 48 VAL CA C 26 66.460 66.528 -0.068 2
1 322 . 1 1 A 48 48 VAL CB C 26 31.540 31.489 0.051 2
1 325 . 1 1 A 48 48 VAL N N 26 123.048 122.253 0.795 2
1 326 . 1 1 A 49 49 GLY H H 27 9.099 8.232 0.867 2
1 327 . 1 1 A 49 49 GLY HA2 H 27 3.895 3.740 0.155 2
1 328 . 1 1 A 49 49 GLY HA3 H 27 3.512 3.747 -0.235 2
1 329 . 1 1 A 49 49 GLY C C 27 177.909 175.552 2.357 2
1 330 . 1 1 A 49 49 GLY CA C 27 47.100 47.201 -0.101 2
1 331 . 1 1 A 49 49 GLY N N 27 107.086 107.346 -0.260 2
1 332 . 1 1 A 50 50 LYS H H 28 7.937 7.778 0.159 2
1 333 . 1 1 A 50 50 LYS HA H 28 3.907 3.938 -0.031 2
1 342 . 1 1 A 50 50 LYS C C 28 180.866 179.304 1.562 2
1 343 . 1 1 A 50 50 LYS CA C 28 59.000 59.331 -0.331 2
1 344 . 1 1 A 50 50 LYS CB C 28 31.730 32.224 -0.494 2
1 348 . 1 1 A 50 50 LYS N N 28 125.227 122.264 2.963 2
1 349 . 1 1 A 51 51 LEU H H 29 8.364 8.037 0.327 2
1 350 . 1 1 A 51 51 LEU HA H 29 4.357 4.143 0.214 2
1 360 . 1 1 A 51 51 LEU C C 29 180.056 178.449 1.607 2
1 361 . 1 1 A 51 51 LEU CA C 29 58.360 57.611 0.749 2
1 362 . 1 1 A 51 51 LEU CB C 29 41.510 41.662 -0.152 2
1 366 . 1 1 A 51 51 LEU N N 29 122.366 121.173 1.193 2
1 367 . 1 1 A 52 52 LYS H H 30 8.711 8.136 0.575 2
1 368 . 1 1 A 52 52 LYS HA H 30 4.542 4.043 0.499 2
1 377 . 1 1 A 52 52 LYS C C 30 182.257 179.269 2.988 2
1 378 . 1 1 A 52 52 LYS CA C 30 59.310 59.293 0.017 2
1 379 . 1 1 A 52 52 LYS CB C 30 33.380 31.945 1.435 2
1 383 . 1 1 A 52 52 LYS N N 30 119.050 119.896 -0.846 2
1 384 . 1 1 A 53 53 THR H H 31 8.130 7.908 0.222 2
1 385 . 1 1 A 53 53 THR HA H 31 3.655 3.933 -0.278 2
1 390 . 1 1 A 53 53 THR C C 31 179.092 176.044 3.048 2
1 391 . 1 1 A 53 53 THR CA C 31 66.890 66.829 0.061 2
1 392 . 1 1 A 53 53 THR CB C 31 68.370 68.330 0.040 2
1 394 . 1 1 A 53 53 THR N N 31 118.206 117.168 1.038 2
1 395 . 1 1 A 54 54 HIS H H 32 8.310 7.665 0.645 2
1 396 . 1 1 A 54 54 HIS HA H 32 4.566 4.175 0.391 2
1 400 . 1 1 A 54 54 HIS C C 32 180.735 177.097 3.637 2
1 401 . 1 1 A 54 54 HIS CA C 32 60.010 60.096 -0.086 2
1 402 . 1 1 A 54 54 HIS CB C 32 31.620 29.384 2.236 2
1 404 . 1 1 A 54 54 HIS N N 32 124.425 122.355 2.070 2
1 405 . 1 1 A 55 55 LEU H H 33 9.036 8.314 0.722 2
1 406 . 1 1 A 55 55 LEU HA H 33 3.958 3.855 0.103 2
1 416 . 1 1 A 55 55 LEU C C 33 180.877 179.232 1.645 2
1 417 . 1 1 A 55 55 LEU CA C 33 58.180 57.797 0.383 2
1 418 . 1 1 A 55 55 LEU CB C 33 40.710 41.665 -0.955 2
1 422 . 1 1 A 55 55 LEU N N 33 119.746 120.639 -0.893 2
1 423 . 1 1 A 56 56 SER H H 34 8.266 7.968 0.298 2
1 424 . 1 1 A 56 56 SER HA H 34 4.159 4.134 0.025 2
1 427 . 1 1 A 56 56 SER C C 34 176.015 176.362 -0.347 2
1 428 . 1 1 A 56 56 SER CA C 34 61.590 61.322 0.268 2
1 429 . 1 1 A 56 56 SER CB C 34 63.600 63.041 0.559 2
1 430 . 1 1 A 56 56 SER N N 34 114.534 113.696 0.838 2
1 431 . 1 1 A 57 57 ASN H H 35 7.273 7.612 -0.339 2
1 432 . 1 1 A 57 57 ASN HA H 35 4.799 4.620 0.179 2
1 437 . 1 1 A 57 57 ASN C C 35 179.004 177.252 1.752 2
1 438 . 1 1 A 57 57 ASN CA C 35 54.520 55.664 -1.144 2
1 439 . 1 1 A 57 57 ASN CB C 35 40.890 39.023 1.867 2
1 440 . 1 1 A 57 57 ASN N N 35 115.349 119.296 -3.947 2
1 442 . 1 1 A 58 58 VAL H H 36 7.810 7.140 0.670 2
1 443 . 1 1 A 58 58 VAL HA H 36 4.309 4.143 0.166 2
1 451 . 1 1 A 58 58 VAL C C 36 178.446 175.605 2.841 2
1 452 . 1 1 A 58 58 VAL CA C 36 62.350 63.154 -0.804 2
1 453 . 1 1 A 58 58 VAL CB C 36 32.980 31.957 1.023 2
1 456 . 1 1 A 58 58 VAL N N 36 110.874 111.551 -0.677 2
1 457 . 1 1 A 59 59 TYR H H 37 8.896 7.710 1.186 2
1 458 . 1 1 A 59 59 TYR HA H 37 4.482 4.678 -0.197 2
1 465 . 1 1 A 59 59 TYR CA C 37 57.740 56.919 0.821 2
1 466 . 1 1 A 59 59 TYR CB C 37 40.440 39.708 0.732 2
1 469 . 1 1 A 59 59 TYR N N 37 127.773 124.457 3.316 2
1 470 . 1 1 A 60 60 PRO HA H 38 3.956 4.285 -0.329 2
1 477 . 1 1 A 60 60 PRO C C 38 178.511 177.751 0.760 2
1 478 . 1 1 A 60 60 PRO CA C 38 65.560 64.951 0.609 2
1 479 . 1 1 A 60 60 PRO CB C 38 31.860 31.788 0.072 2
1 482 . 1 1 A 61 61 SER H H 39 6.571 7.834 -1.263 2
1 483 . 1 1 A 61 61 SER HA H 39 4.238 4.397 -0.159 2
1 486 . 1 1 A 61 61 SER C C 39 175.774 174.108 1.666 2
1 487 . 1 1 A 61 61 SER CA C 39 58.290 60.666 -2.376 2
1 488 . 1 1 A 61 61 SER CB C 39 63.420 63.671 -0.251 2
1 489 . 1 1 A 61 61 SER N N 39 108.382 112.017 -3.635 2
1 490 . 1 1 A 62 62 LYS H H 40 8.384 7.858 0.526 2
1 491 . 1 1 A 62 62 LYS HA H 40 3.922 4.083 -0.161 2
1 500 . 1 1 A 62 62 LYS CA C 40 56.710 56.647 0.063 2
1 501 . 1 1 A 62 62 LYS CB C 40 30.640 30.727 -0.087 2
1 505 . 1 1 A 62 62 LYS N N 40 118.443 119.157 -0.714 2
1 506 . 1 1 A 63 63 PRO HA H 41 4.284 4.555 -0.271 2
1 513 . 1 1 A 63 63 PRO C C 41 179.464 176.250 3.214 2
1 514 . 1 1 A 63 63 PRO CA C 41 62.620 62.489 0.131 2
1 515 . 1 1 A 63 63 PRO CB C 41 31.640 32.496 -0.856 2
1 518 . 1 1 A 64 64 LEU H H 42 8.689 8.422 0.267 2
1 519 . 1 1 A 64 64 LEU HA H 42 4.212 4.328 -0.116 2
1 529 . 1 1 A 64 64 LEU C C 42 182.476 177.978 4.498 2
1 530 . 1 1 A 64 64 LEU CA C 42 54.750 54.331 0.419 2
1 531 . 1 1 A 64 64 LEU CB C 42 41.360 41.330 0.030 2
1 535 . 1 1 A 64 64 LEU N N 42 122.677 122.137 0.540 2
1 536 . 1 1 A 65 65 THR H H 43 8.858 8.680 0.178 2
1 537 . 1 1 A 65 65 THR HA H 43 3.779 3.913 -0.134 2
1 542 . 1 1 A 65 65 THR C C 43 180.078 175.752 4.326 2
1 543 . 1 1 A 65 65 THR CA C 43 66.310 65.814 0.496 2
1 544 . 1 1 A 65 65 THR CB C 43 68.100 68.450 -0.350 2
1 546 . 1 1 A 65 65 THR N N 43 116.000 118.865 -2.865 2
1 547 . 1 1 A 66 66 LYS H H 44 7.921 8.515 -0.594 2
1 548 . 1 1 A 66 66 LYS HA H 44 4.125 4.085 0.040 2
1 557 . 1 1 A 66 66 LYS C C 44 177.953 177.800 0.153 2
1 558 . 1 1 A 66 66 LYS CA C 44 57.730 58.710 -0.980 2
1 559 . 1 1 A 66 66 LYS CB C 44 31.890 31.859 0.031 2
1 563 . 1 1 A 66 66 LYS N N 44 117.614 120.760 -3.146 2
1 564 . 1 1 A 67 67 ASP H H 45 7.394 7.599 -0.205 2
1 565 . 1 1 A 67 67 ASP HA H 45 4.746 4.682 0.064 2
1 568 . 1 1 A 67 67 ASP C C 45 177.876 176.394 1.482 2
1 569 . 1 1 A 67 67 ASP CA C 45 54.350 55.388 -1.038 2
1 570 . 1 1 A 67 67 ASP CB C 45 42.090 41.987 0.103 2
1 571 . 1 1 A 67 67 ASP N N 45 118.443 118.009 0.434 2
1 572 . 1 1 A 68 68 GLN H H 46 7.143 7.711 -0.568 2
1 573 . 1 1 A 68 68 GLN HA H 46 4.054 4.581 -0.527 2
1 578 . 1 1 A 68 68 GLN C C 46 177.515 175.588 1.927 2
1 579 . 1 1 A 68 68 GLN CA C 46 56.750 55.795 0.955 2
1 580 . 1 1 A 68 68 GLN CB C 46 31.150 29.577 1.573 2
1 582 . 1 1 A 68 68 GLN N N 46 120.205 117.361 2.844 2
1 583 . 1 1 A 69 69 ARG H H 47 8.269 8.725 -0.456 2
1 584 . 1 1 A 69 69 ARG HA H 47 4.334 5.008 -0.674 2
1 591 . 1 1 A 69 69 ARG C C 47 175.708 174.863 0.845 2
1 592 . 1 1 A 69 69 ARG CA C 47 55.010 54.418 0.592 2
1 593 . 1 1 A 69 69 ARG CB C 47 31.390 33.677 -2.287 2
1 596 . 1 1 A 69 69 ARG N N 47 124.781 123.693 1.088 2
1 597 . 1 1 A 70 70 LEU H H 48 8.254 8.775 -0.521 2
1 598 . 1 1 A 70 70 LEU HA H 48 5.444 5.080 0.364 2
1 608 . 1 1 A 70 70 LEU C C 48 177.175 175.805 1.370 2
1 609 . 1 1 A 70 70 LEU CA C 48 52.810 53.536 -0.726 2
1 610 . 1 1 A 70 70 LEU CB C 48 45.100 43.287 1.813 2
1 614 . 1 1 A 70 70 LEU N N 48 122.071 122.639 -0.568 2
1 615 . 1 1 A 71 71 VAL H H 49 9.251 9.061 0.190 2
1 616 . 1 1 A 71 71 VAL HA H 49 4.889 4.968 -0.079 2
1 624 . 1 1 A 71 71 VAL C C 49 177.208 174.121 3.086 2
1 625 . 1 1 A 71 71 VAL CA C 49 60.570 61.227 -0.657 2
1 626 . 1 1 A 71 71 VAL CB C 49 34.580 33.601 0.979 2
1 629 . 1 1 A 71 71 VAL N N 49 122.797 124.734 -1.937 2
1 630 . 1 1 A 72 72 TYR H H 50 8.684 9.025 -0.341 2
1 631 . 1 1 A 72 72 TYR HA H 50 5.155 4.939 0.216 2
1 638 . 1 1 A 72 72 TYR CA C 50 56.060 57.334 -1.274 2
1 639 . 1 1 A 72 72 TYR CB C 50 43.140 40.342 2.798 2
1 642 . 1 1 A 72 72 TYR N N 50 126.349 128.976 -2.627 2
1 643 . 1 1 A 73 73 SER HA H 51 3.673 4.055 -0.382 2
1 646 . 1 1 A 73 73 SER C C 51 177.153 174.175 2.978 2
1 647 . 1 1 A 73 73 SER CA C 51 58.000 59.265 -1.265 2
1 648 . 1 1 A 73 73 SER CB C 51 62.190 61.647 0.543 2
1 649 . 1 1 A 74 74 GLY H H 52 8.209 8.356 -0.147 2
1 650 . 1 1 A 74 74 GLY HA2 H 52 4.030 3.996 0.034 2
1 651 . 1 1 A 74 74 GLY HA3 H 52 3.346 4.009 -0.663 2
1 652 . 1 1 A 74 74 GLY C C 52 175.259 174.386 0.873 2
1 653 . 1 1 A 74 74 GLY CA C 52 44.990 45.204 -0.214 2
1 654 . 1 1 A 74 74 GLY N N 52 103.501 106.728 -3.227 2
1 655 . 1 1 A 75 75 ARG H H 53 7.816 7.672 0.144 2
1 656 . 1 1 A 75 75 ARG HA H 53 4.555 4.467 0.088 2
1 663 . 1 1 A 75 75 ARG C C 53 176.321 175.197 1.124 2
1 664 . 1 1 A 75 75 ARG CA C 53 54.590 55.697 -1.107 2
1 665 . 1 1 A 75 75 ARG CB C 53 32.620 31.578 1.042 2
1 668 . 1 1 A 75 75 ARG N N 53 121.834 119.866 1.968 2
1 669 . 1 1 A 76 76 LEU H H 54 8.470 8.487 -0.017 2
1 670 . 1 1 A 76 76 LEU HA H 54 4.500 4.783 -0.283 2
1 680 . 1 1 A 76 76 LEU C C 54 179.639 174.854 4.785 2
1 681 . 1 1 A 76 76 LEU CA C 54 55.260 54.424 0.836 2
1 682 . 1 1 A 76 76 LEU CB C 54 42.210 43.953 -1.743 2
1 686 . 1 1 A 76 76 LEU N N 54 127.239 124.500 2.739 2
1 687 . 1 1 A 77 77 LEU H H 55 8.863 9.060 -0.197 2
1 688 . 1 1 A 77 77 LEU HA H 55 4.605 4.844 -0.239 2
1 698 . 1 1 A 77 77 LEU CA C 55 52.230 51.379 0.852 2
1 699 . 1 1 A 77 77 LEU CB C 55 43.090 42.479 0.611 2
1 703 . 1 1 A 77 77 LEU N N 55 127.741 128.248 -0.507 2
1 704 . 1 1 A 78 78 PRO HA H 56 4.708 4.685 0.023 2
1 711 . 1 1 A 78 78 PRO C C 56 179.519 176.963 2.556 2
1 712 . 1 1 A 78 78 PRO CA C 56 61.780 62.300 -0.520 2
1 713 . 1 1 A 78 78 PRO CB C 56 32.600 32.688 -0.088 2
1 716 . 1 1 A 79 79 ASP H H 57 8.109 8.703 -0.594 2
1 717 . 1 1 A 79 79 ASP HA H 57 4.122 4.240 -0.118 2
1 720 . 1 1 A 79 79 ASP C C 57 179.782 177.561 2.221 2
1 721 . 1 1 A 79 79 ASP CA C 57 57.380 56.129 1.251 2
1 722 . 1 1 A 79 79 ASP CB C 57 41.200 40.051 1.149 2
1 723 . 1 1 A 79 79 ASP N N 57 116.504 122.368 -5.864 2
1 724 . 1 1 A 80 80 HIS H H 58 7.815 7.671 0.144 2
1 725 . 1 1 A 80 80 HIS HA H 58 4.519 4.453 0.066 2
1 730 . 1 1 A 80 80 HIS C C 58 177.668 175.266 2.402 2
1 731 . 1 1 A 80 80 HIS CA C 58 57.110 57.663 -0.553 2
1 732 . 1 1 A 80 80 HIS CB C 58 30.770 29.423 1.347 2
1 735 . 1 1 A 80 80 HIS N N 58 112.239 114.972 -2.733 2
1 736 . 1 1 A 81 81 LEU H H 59 6.281 6.804 -0.523 2
1 737 . 1 1 A 81 81 LEU HA H 59 4.157 4.708 -0.551 2
1 747 . 1 1 A 81 81 LEU C C 59 178.501 176.565 1.937 2
1 748 . 1 1 A 81 81 LEU CA C 59 53.970 53.004 0.966 2
1 749 . 1 1 A 81 81 LEU CB C 59 43.360 44.294 -0.934 2
1 753 . 1 1 A 81 81 LEU N N 59 120.531 117.159 3.372 2
1 754 . 1 1 A 82 82 GLN H H 60 8.863 8.841 0.022 2
1 755 . 1 1 A 82 82 GLN HA H 60 4.891 4.390 0.501 2
1 762 . 1 1 A 82 82 GLN C C 60 180.417 177.567 2.850 2
1 763 . 1 1 A 82 82 GLN CA C 60 54.880 55.681 -0.801 2
1 764 . 1 1 A 82 82 GLN CB C 60 31.480 29.417 2.063 2
1 766 . 1 1 A 82 82 GLN N N 60 118.014 119.878 -1.864 2
1 768 . 1 1 A 83 83 LEU H H 61 8.688 8.565 0.123 2
1 769 . 1 1 A 83 83 LEU HA H 61 3.705 3.863 -0.158 2
1 779 . 1 1 A 83 83 LEU C C 61 181.775 178.650 3.125 2
1 780 . 1 1 A 83 83 LEU CA C 61 58.510 57.978 0.532 2
1 781 . 1 1 A 83 83 LEU CB C 61 40.330 41.335 -1.005 2
1 785 . 1 1 A 83 83 LEU N N 61 121.910 123.972 -2.061 2
1 786 . 1 1 A 84 84 LYS H H 62 8.525 8.032 0.493 2
1 787 . 1 1 A 84 84 LYS HA H 62 3.972 4.014 -0.042 2
1 796 . 1 1 A 84 84 LYS C C 62 177.865 178.188 -0.323 2
1 797 . 1 1 A 84 84 LYS CA C 62 57.690 59.059 -1.369 2
1 798 . 1 1 A 84 84 LYS CB C 62 31.440 32.059 -0.619 2
1 802 . 1 1 A 84 84 LYS N N 62 115.896 117.511 -1.615 2
1 803 . 1 1 A 85 85 ASP H H 63 7.598 7.832 -0.234 2
1 804 . 1 1 A 85 85 ASP HA H 63 4.710 4.365 0.344 2
1 807 . 1 1 A 85 85 ASP C C 63 177.307 177.459 -0.152 2
1 808 . 1 1 A 85 85 ASP CA C 63 55.460 57.101 -1.641 2
1 809 . 1 1 A 85 85 ASP CB C 63 42.000 41.595 0.405 2
1 810 . 1 1 A 85 85 ASP N N 63 118.917 119.487 -0.570 2
1 811 . 1 1 A 86 86 ILE H H 64 7.417 7.254 0.163 2
1 812 . 1 1 A 86 86 ILE HA H 64 4.027 4.031 -0.004 2
1 822 . 1 1 A 86 86 ILE C C 64 177.055 177.031 0.024 2
1 823 . 1 1 A 86 86 ILE CA C 64 62.150 62.776 -0.626 2
1 824 . 1 1 A 86 86 ILE CB C 64 42.670 38.970 3.700 2
1 828 . 1 1 A 86 86 ILE N N 64 117.599 117.009 0.590 2
1 829 . 1 1 A 87 87 LEU H H 65 7.399 7.459 -0.060 2
1 830 . 1 1 A 87 87 LEU HA H 65 3.695 4.026 -0.331 2
1 840 . 1 1 A 87 87 LEU C C 65 179.409 177.423 1.986 2
1 841 . 1 1 A 87 87 LEU CA C 65 55.040 54.288 0.752 2
1 842 . 1 1 A 87 87 LEU CB C 65 40.910 41.282 -0.372 2
1 846 . 1 1 A 87 87 LEU N N 65 116.948 119.738 -2.790 2
1 847 . 1 1 A 88 88 ARG H H 66 7.954 7.762 0.192 2
1 848 . 1 1 A 88 88 ARG HA H 66 4.227 4.021 0.206 2
1 855 . 1 1 A 88 88 ARG C C 66 179.333 178.483 0.850 2
1 856 . 1 1 A 88 88 ARG CA C 66 56.960 58.713 -1.753 2
1 857 . 1 1 A 88 88 ARG CB C 66 30.570 29.537 1.033 2
1 860 . 1 1 A 88 88 ARG N N 66 122.752 120.872 1.880 2
1 861 . 1 1 A 89 89 LYS H H 67 8.374 8.023 0.351 2
1 862 . 1 1 A 89 89 LYS HA H 67 3.948 4.065 -0.117 2
1 871 . 1 1 A 89 89 LYS C C 67 179.278 178.711 0.567 2
1 872 . 1 1 A 89 89 LYS CA C 67 58.560 59.615 -1.055 2
1 873 . 1 1 A 89 89 LYS CB C 67 32.620 32.319 0.301 2
1 877 . 1 1 A 89 89 LYS N N 67 124.661 118.850 5.811 2
1 878 . 1 1 A 90 90 GLN H H 68 8.616 7.963 0.653 2
1 879 . 1 1 A 90 90 GLN HA H 68 4.169 4.253 -0.085 2
1 886 . 1 1 A 90 90 GLN C C 68 177.778 175.898 1.880 2
1 887 . 1 1 A 90 90 GLN CA C 68 56.670 56.584 0.086 2
1 888 . 1 1 A 90 90 GLN CB C 68 28.230 29.376 -1.146 2
1 890 . 1 1 A 90 90 GLN N N 68 115.896 117.870 -1.974 2
1 892 . 1 1 A 91 91 ASP H H 69 7.319 8.136 -0.817 2
1 893 . 1 1 A 91 91 ASP HA H 69 4.523 4.748 -0.225 2
1 896 . 1 1 A 91 91 ASP C C 69 177.164 176.548 0.616 2
1 897 . 1 1 A 91 91 ASP CA C 69 54.440 56.087 -1.647 2
1 898 . 1 1 A 91 91 ASP CB C 69 41.200 40.418 0.782 2
1 899 . 1 1 A 91 91 ASP N N 69 121.181 119.205 1.976 2
1 900 . 1 1 A 92 92 GLU H H 70 8.320 8.224 0.096 2
1 901 . 1 1 A 92 92 GLU HA H 70 3.892 4.232 -0.340 2
1 906 . 1 1 A 92 92 GLU C C 70 177.657 175.523 2.135 2
1 907 . 1 1 A 92 92 GLU CA C 70 57.260 58.792 -1.532 2
1 908 . 1 1 A 92 92 GLU CB C 70 30.750 30.338 0.412 2
1 910 . 1 1 A 92 92 GLU N N 70 120.205 119.128 1.077 2
1 911 . 1 1 A 93 93 TYR H H 71 7.251 7.647 -0.396 2
1 912 . 1 1 A 93 93 TYR HA H 71 4.550 5.334 -0.784 2
1 919 . 1 1 A 93 93 TYR C C 71 175.861 174.282 1.579 2
1 920 . 1 1 A 93 93 TYR CA C 71 55.550 56.060 -0.510 2
1 921 . 1 1 A 93 93 TYR CB C 71 39.680 41.247 -1.567 2
1 924 . 1 1 A 93 93 TYR N N 71 115.349 114.908 0.441 2
1 925 . 1 1 A 94 94 HIS H H 72 7.991 8.771 -0.780 2
1 926 . 1 1 A 94 94 HIS HA H 72 5.034 5.159 -0.125 2
1 930 . 1 1 A 94 94 HIS C C 72 176.157 174.252 1.905 2
1 931 . 1 1 A 94 94 HIS CA C 72 54.990 54.496 0.494 2
1 932 . 1 1 A 94 94 HIS CB C 72 33.910 32.859 1.051 2
1 934 . 1 1 A 94 94 HIS N N 72 120.146 118.920 1.226 2
1 935 . 1 1 A 95 95 MET H H 73 9.227 9.151 0.076 2
1 936 . 1 1 A 95 95 MET HA H 73 5.306 5.115 0.191 2
1 941 . 1 1 A 95 95 MET C C 73 176.891 175.477 1.414 2
1 942 . 1 1 A 95 95 MET CA C 73 54.500 54.295 0.205 2
1 943 . 1 1 A 95 95 MET CB C 73 33.690 33.279 0.411 2
1 945 . 1 1 A 95 95 MET N N 73 124.691 123.262 1.429 2
1 946 . 1 1 A 96 96 VAL H H 74 9.070 9.059 0.011 2
1 947 . 1 1 A 96 96 VAL HA H 74 4.719 4.806 -0.087 2
1 955 . 1 1 A 96 96 VAL C C 74 175.653 174.894 0.759 2
1 956 . 1 1 A 96 96 VAL CA C 74 60.790 61.010 -0.220 2
1 957 . 1 1 A 96 96 VAL CB C 74 35.290 34.551 0.739 2
1 960 . 1 1 A 96 96 VAL N N 74 125.298 124.511 0.786 2
1 961 . 1 1 A 97 97 HIS H H 75 9.197 9.090 0.107 2
1 962 . 1 1 A 97 97 HIS HA H 75 5.213 5.230 -0.017 2
1 966 . 1 1 A 97 97 HIS C C 75 176.245 174.673 1.572 2
1 967 . 1 1 A 97 97 HIS CA C 75 55.800 55.348 0.452 2
1 968 . 1 1 A 97 97 HIS CB C 75 32.170 30.641 1.529 2
1 970 . 1 1 A 97 97 HIS N N 75 125.299 126.141 -0.842 2
1 971 . 1 1 A 98 98 LEU H H 76 8.423 8.763 -0.340 2
1 972 . 1 1 A 98 98 LEU HA H 76 5.059 4.522 0.537 2
1 982 . 1 1 A 98 98 LEU C C 76 177.592 175.934 1.658 2
1 983 . 1 1 A 98 98 LEU CA C 76 54.150 54.764 -0.614 2
1 984 . 1 1 A 98 98 LEU CB C 76 43.540 42.436 1.104 2
1 988 . 1 1 A 98 98 LEU N N 76 126.291 126.682 -0.391 2
stop_
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