data_10203_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10203
_Entry.PDB_ID 2EMI
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 SER CA C 6 58.528 56.470 2.058 1
1 2 . 1 1 1 A 6 6 SER HA H 6 4.485 4.729 -0.244 1
1 3 . 1 1 1 A 6 6 SER CB C 6 63.865 63.793 0.072 1
1 6 . 1 1 1 A 6 6 SER C C 6 175.149 174.138 1.011 1
1 7 . 1 1 1 A 7 7 GLY N N 7 110.926 112.774 -1.848 1
1 8 . 1 1 1 A 7 7 GLY H H 7 8.464 8.177 0.287 1
1 9 . 1 1 1 A 7 7 GLY CA C 7 45.461 45.228 0.233 1
1 10 . 1 1 1 A 7 7 GLY HA2 H 7 4.019 4.045 -0.026 1
1 11 . 1 1 1 A 7 7 GLY HA3 H 7 4.019 4.056 -0.037 1
1 12 . 1 1 1 A 7 7 GLY C C 7 174.546 174.056 0.490 1
1 13 . 1 1 1 A 8 8 THR N N 8 112.839 108.358 4.481 1
1 14 . 1 1 1 A 8 8 THR H H 8 8.154 7.442 0.712 1
1 15 . 1 1 1 A 8 8 THR CA C 8 61.923 60.279 1.644 1
1 16 . 1 1 1 A 8 8 THR HA H 8 4.357 4.931 -0.574 1
1 17 . 1 1 1 A 8 8 THR CB C 8 69.768 70.242 -0.474 1
1 23 . 1 1 1 A 8 8 THR C C 8 175.302 173.668 1.634 1
1 24 . 1 1 1 A 9 9 GLY N N 9 111.223 112.967 -1.744 1
1 25 . 1 1 1 A 9 9 GLY H H 9 8.456 8.430 0.026 1
1 26 . 1 1 1 A 9 9 GLY CA C 9 45.282 45.003 0.279 1
1 27 . 1 1 1 A 9 9 GLY HA2 H 9 3.933 4.061 -0.128 1
1 28 . 1 1 1 A 9 9 GLY HA3 H 9 3.933 4.070 -0.137 1
1 29 . 1 1 1 A 9 9 GLY C C 9 173.949 171.677 2.272 1
1 30 . 1 1 1 A 10 10 GLU N N 10 120.531 123.433 -2.902 1
1 31 . 1 1 1 A 10 10 GLU H H 10 8.215 8.474 -0.259 1
1 32 . 1 1 1 A 10 10 GLU CA C 10 56.445 56.004 0.441 1
1 33 . 1 1 1 A 10 10 GLU HA H 10 4.223 4.688 -0.465 1
1 34 . 1 1 1 A 10 10 GLU CB C 10 30.431 33.052 -2.621 1
1 40 . 1 1 1 A 10 10 GLU C C 10 176.168 174.607 1.561 1
1 41 . 1 1 1 A 11 11 ARG N N 11 122.264 126.362 -4.098 1
1 42 . 1 1 1 A 11 11 ARG H H 11 8.353 8.420 -0.067 1
1 43 . 1 1 1 A 11 11 ARG CA C 11 55.619 57.164 -1.545 1
1 44 . 1 1 1 A 11 11 ARG HA H 11 4.214 3.932 0.282 1
1 45 . 1 1 1 A 11 11 ARG CB C 11 30.650 30.940 -0.290 1
1 54 . 1 1 1 A 11 11 ARG C C 11 174.908 175.747 -0.839 1
1 55 . 1 1 1 A 12 12 HIS N N 12 119.171 116.747 2.424 1
1 56 . 1 1 1 A 12 12 HIS H H 12 7.945 8.286 -0.341 1
1 57 . 1 1 1 A 12 12 HIS CA C 12 55.289 53.672 1.617 1
1 58 . 1 1 1 A 12 12 HIS HA H 12 4.649 5.279 -0.630 1
1 59 . 1 1 1 A 12 12 HIS CB C 12 31.520 33.139 -1.619 1
1 66 . 1 1 1 A 12 12 HIS C C 12 173.771 171.816 1.955 1
1 67 . 1 1 1 A 13 13 TYR N N 13 121.025 118.819 2.206 1
1 68 . 1 1 1 A 13 13 TYR H H 13 8.713 8.698 0.015 1
1 69 . 1 1 1 A 13 13 TYR CA C 13 57.433 56.799 0.634 1
1 70 . 1 1 1 A 13 13 TYR HA H 13 4.636 5.108 -0.472 1
1 71 . 1 1 1 A 13 13 TYR CB C 13 39.706 39.099 0.607 1
1 82 . 1 1 1 A 13 13 TYR C C 13 174.850 175.897 -1.047 1
1 83 . 1 1 1 A 14 14 GLU N N 14 123.621 122.469 1.152 1
1 84 . 1 1 1 A 14 14 GLU H H 14 8.762 8.856 -0.094 1
1 85 . 1 1 1 A 14 14 GLU CA C 14 55.073 55.300 -0.227 1
1 86 . 1 1 1 A 14 14 GLU HA H 14 4.949 5.260 -0.311 1
1 87 . 1 1 1 A 14 14 GLU CB C 14 32.760 31.710 1.050 1
1 93 . 1 1 1 A 14 14 GLU C C 14 175.487 175.835 -0.348 1
1 94 . 1 1 1 A 15 15 CYS N N 15 126.353 122.833 3.520 1
1 95 . 1 1 1 A 15 15 CYS H H 15 9.253 9.435 -0.182 1
1 96 . 1 1 1 A 15 15 CYS CA C 15 59.508 60.065 -0.557 1
1 97 . 1 1 1 A 15 15 CYS HA H 15 4.580 4.555 0.025 1
1 98 . 1 1 1 A 15 15 CYS CB C 15 29.646 28.564 1.082 1
1 101 . 1 1 1 A 15 15 CYS C C 15 177.465 175.140 2.325 1
1 102 . 1 1 1 A 16 16 SER CA C 16 60.968 58.455 2.513 1
1 103 . 1 1 1 A 16 16 SER HA H 16 4.291 4.601 -0.310 1
1 104 . 1 1 1 A 16 16 SER CB C 16 63.017 64.446 -1.429 1
1 107 . 1 1 1 A 16 16 SER C C 16 174.550 175.668 -1.118 1
1 108 . 1 1 1 A 17 17 GLU N N 17 122.749 119.601 3.148 1
1 109 . 1 1 1 A 17 17 GLU H H 17 8.679 7.595 1.084 1
1 110 . 1 1 1 A 17 17 GLU CA C 17 58.170 58.773 -0.603 1
1 111 . 1 1 1 A 17 17 GLU HA H 17 4.252 4.074 0.178 1
1 112 . 1 1 1 A 17 17 GLU CB C 17 29.693 29.976 -0.283 1
1 118 . 1 1 1 A 17 17 GLU C C 17 177.114 178.262 -1.148 1
1 119 . 1 1 1 A 18 18 CYS N N 18 114.770 115.119 -0.349 1
1 120 . 1 1 1 A 18 18 CYS H H 18 7.892 7.897 -0.005 1
1 121 . 1 1 1 A 18 18 CYS CA C 18 58.423 59.848 -1.425 1
1 122 . 1 1 1 A 18 18 CYS HA H 18 5.160 4.537 0.623 1
1 123 . 1 1 1 A 18 18 CYS CB C 18 32.475 29.355 3.120 1
1 126 . 1 1 1 A 18 18 CYS C C 18 176.207 175.161 1.046 1
1 127 . 1 1 1 A 19 19 GLY N N 19 113.459 110.303 3.156 1
1 128 . 1 1 1 A 19 19 GLY H H 19 8.233 7.999 0.234 1
1 129 . 1 1 1 A 19 19 GLY CA C 19 46.185 45.073 1.112 1
1 130 . 1 1 1 A 19 19 GLY HA2 H 19 3.869 4.057 -0.188 1
1 131 . 1 1 1 A 19 19 GLY HA3 H 19 4.218 4.071 0.147 1
1 132 . 1 1 1 A 19 19 GLY C C 19 173.698 174.657 -0.959 1
1 133 . 1 1 1 A 20 20 LYS N N 20 122.669 122.397 0.272 1
1 134 . 1 1 1 A 20 20 LYS H H 20 7.913 7.658 0.255 1
1 135 . 1 1 1 A 20 20 LYS CA C 20 58.015 56.027 1.988 1
1 136 . 1 1 1 A 20 20 LYS HA H 20 3.946 4.190 -0.244 1
1 137 . 1 1 1 A 20 20 LYS CB C 20 33.818 33.450 0.368 1
1 149 . 1 1 1 A 20 20 LYS C C 20 173.787 175.215 -1.428 1
1 150 . 1 1 1 A 21 21 ALA N N 21 123.558 126.071 -2.513 1
1 151 . 1 1 1 A 21 21 ALA H H 21 7.862 8.008 -0.146 1
1 152 . 1 1 1 A 21 21 ALA CA C 21 50.537 49.771 0.766 1
1 153 . 1 1 1 A 21 21 ALA HA H 21 5.010 5.457 -0.447 1
1 154 . 1 1 1 A 21 21 ALA CB C 21 21.863 22.422 -0.559 1
1 158 . 1 1 1 A 21 21 ALA C C 21 176.488 175.505 0.983 1
1 159 . 1 1 1 A 22 22 PHE N N 22 117.848 117.063 0.785 1
1 160 . 1 1 1 A 22 22 PHE H H 22 8.649 8.439 0.210 1
1 161 . 1 1 1 A 22 22 PHE CA C 22 57.125 56.537 0.588 1
1 162 . 1 1 1 A 22 22 PHE HA H 22 4.749 4.954 -0.205 1
1 163 . 1 1 1 A 22 22 PHE CB C 22 43.540 43.847 -0.307 1
1 176 . 1 1 1 A 22 22 PHE C C 22 175.470 175.685 -0.215 1
1 177 . 1 1 1 A 23 23 ILE N N 23 118.637 123.354 -4.717 1
1 178 . 1 1 1 A 23 23 ILE H H 23 8.795 8.694 0.101 1
1 179 . 1 1 1 A 23 23 ILE CA C 23 62.569 63.109 -0.540 1
1 180 . 1 1 1 A 23 23 ILE HA H 23 4.413 4.351 0.062 1
1 181 . 1 1 1 A 23 23 ILE CB C 23 38.735 38.452 0.283 1
1 194 . 1 1 1 A 23 23 ILE C C 23 175.892 175.617 0.275 1
1 195 . 1 1 1 A 24 24 GLN N N 24 115.722 119.174 -3.452 1
1 196 . 1 1 1 A 24 24 GLN H H 24 7.552 7.954 -0.402 1
1 197 . 1 1 1 A 24 24 GLN CA C 24 54.181 54.496 -0.315 1
1 198 . 1 1 1 A 24 24 GLN HA H 24 4.813 4.810 0.003 1
1 199 . 1 1 1 A 24 24 GLN CB C 24 31.481 31.253 0.228 1
1 208 . 1 1 1 A 24 24 GLN C C 24 175.651 176.000 -0.349 1
1 209 . 1 1 1 A 25 25 LYS N N 25 125.530 124.568 0.962 1
1 210 . 1 1 1 A 25 25 LYS H H 25 8.527 8.674 -0.147 1
1 211 . 1 1 1 A 25 25 LYS CA C 25 59.400 59.129 0.271 1
1 212 . 1 1 1 A 25 25 LYS HA H 25 3.168 3.441 -0.273 1
1 213 . 1 1 1 A 25 25 LYS CB C 25 31.725 31.268 0.457 1
1 225 . 1 1 1 A 25 25 LYS C C 25 178.710 178.109 0.601 1
1 226 . 1 1 1 A 26 26 SER CA C 26 60.794 62.185 -1.391 1
1 227 . 1 1 1 A 26 26 SER HA H 26 4.049 4.023 0.026 1
1 228 . 1 1 1 A 26 26 SER CB C 26 61.478 63.135 -1.657 1
1 231 . 1 1 1 A 26 26 SER C C 26 177.149 176.114 1.035 1
1 232 . 1 1 1 A 27 27 THR N N 27 118.548 117.640 0.908 1
1 233 . 1 1 1 A 27 27 THR H H 27 7.008 7.974 -0.966 1
1 234 . 1 1 1 A 27 27 THR CA C 27 65.197 66.886 -1.689 1
1 235 . 1 1 1 A 27 27 THR HA H 27 3.907 3.966 -0.059 1
1 236 . 1 1 1 A 27 27 THR CB C 27 67.801 68.555 -0.754 1
1 242 . 1 1 1 A 27 27 THR C C 27 176.751 175.970 0.781 1
1 243 . 1 1 1 A 28 28 LEU N N 28 123.662 121.565 2.097 1
1 244 . 1 1 1 A 28 28 LEU H H 28 7.093 7.540 -0.447 1
1 245 . 1 1 1 A 28 28 LEU CA C 28 58.213 57.406 0.807 1
1 246 . 1 1 1 A 28 28 LEU HA H 28 3.176 2.671 0.505 1
1 247 . 1 1 1 A 28 28 LEU CB C 28 39.863 41.123 -1.260 1
1 260 . 1 1 1 A 28 28 LEU C C 28 177.749 178.458 -0.709 1
1 261 . 1 1 1 A 29 29 SER N N 29 114.674 116.029 -1.355 1
1 262 . 1 1 1 A 29 29 SER H H 29 8.358 7.621 0.737 1
1 263 . 1 1 1 A 29 29 SER CA C 29 61.767 62.032 -0.265 1
1 264 . 1 1 1 A 29 29 SER HA H 29 4.257 3.954 0.303 1
1 265 . 1 1 1 A 29 29 SER CB C 29 62.473 62.609 -0.136 1
1 268 . 1 1 1 A 29 29 SER C C 29 177.197 176.850 0.347 1
1 269 . 1 1 1 A 30 30 MET N N 30 119.515 119.317 0.198 1
1 270 . 1 1 1 A 30 30 MET H H 30 7.554 7.876 -0.322 1
1 271 . 1 1 1 A 30 30 MET CA C 30 58.170 58.156 0.014 1
1 272 . 1 1 1 A 30 30 MET HA H 30 4.152 4.123 0.029 1
1 273 . 1 1 1 A 30 30 MET CB C 30 31.955 31.829 0.126 1
1 283 . 1 1 1 A 30 30 MET C C 30 178.556 178.347 0.209 1
1 284 . 1 1 1 A 31 31 HIS N N 31 120.563 120.285 0.278 1
1 285 . 1 1 1 A 31 31 HIS H H 31 7.889 7.970 -0.081 1
1 286 . 1 1 1 A 31 31 HIS CA C 31 59.232 58.834 0.398 1
1 287 . 1 1 1 A 31 31 HIS HA H 31 4.172 4.191 -0.019 1
1 288 . 1 1 1 A 31 31 HIS CB C 31 28.113 30.170 -2.057 1
1 295 . 1 1 1 A 31 31 HIS C C 31 176.443 177.050 -0.607 1
1 296 . 1 1 1 A 32 32 GLN N N 32 115.497 117.463 -1.966 1
1 297 . 1 1 1 A 32 32 GLN H H 32 8.418 8.549 -0.131 1
1 298 . 1 1 1 A 32 32 GLN CA C 32 59.471 59.251 0.220 1
1 299 . 1 1 1 A 32 32 GLN HA H 32 3.685 3.950 -0.265 1
1 300 . 1 1 1 A 32 32 GLN CB C 32 28.425 28.285 0.140 1
1 309 . 1 1 1 A 32 32 GLN C C 32 177.567 178.085 -0.518 1
1 310 . 1 1 1 A 33 33 ARG N N 33 117.423 117.664 -0.241 1
1 311 . 1 1 1 A 33 33 ARG H H 33 7.210 7.826 -0.616 1
1 312 . 1 1 1 A 33 33 ARG CA C 33 59.089 58.758 0.331 1
1 313 . 1 1 1 A 33 33 ARG HA H 33 3.923 4.044 -0.121 1
1 314 . 1 1 1 A 33 33 ARG CB C 33 30.078 30.175 -0.097 1
1 322 . 1 1 1 A 33 33 ARG C C 33 178.760 177.868 0.892 1
1 323 . 1 1 1 A 34 34 ILE N N 34 116.545 115.933 0.612 1
1 324 . 1 1 1 A 34 34 ILE H H 34 7.752 8.044 -0.292 1
1 325 . 1 1 1 A 34 34 ILE CA C 34 63.271 64.282 -1.011 1
1 326 . 1 1 1 A 34 34 ILE HA H 34 3.948 3.717 0.231 1
1 327 . 1 1 1 A 34 34 ILE CB C 34 37.597 37.200 0.397 1
1 340 . 1 1 1 A 34 34 ILE C C 34 177.960 177.502 0.458 1
1 341 . 1 1 1 A 35 35 HIS N N 35 117.514 119.611 -2.097 1
1 342 . 1 1 1 A 35 35 HIS H H 35 7.073 7.653 -0.580 1
1 343 . 1 1 1 A 35 35 HIS CA C 35 55.599 59.094 -3.495 1
1 344 . 1 1 1 A 35 35 HIS HA H 35 4.745 4.368 0.377 1
1 345 . 1 1 1 A 35 35 HIS CB C 35 28.499 30.983 -2.484 1
1 352 . 1 1 1 A 35 35 HIS C C 35 175.514 175.895 -0.381 1
1 353 . 1 1 1 A 36 36 ARG N N 36 118.480 118.208 0.272 1
1 354 . 1 1 1 A 36 36 ARG H H 36 7.543 8.046 -0.503 1
1 355 . 1 1 1 A 36 36 ARG CA C 36 56.414 58.215 -1.801 1
1 356 . 1 1 1 A 36 36 ARG HA H 36 4.409 4.017 0.392 1
1 357 . 1 1 1 A 36 36 ARG CB C 36 30.891 30.129 0.762 1
1 366 . 1 1 1 A 36 36 ARG C C 36 176.661 176.518 0.143 1
1 367 . 1 1 1 A 37 37 GLY N N 37 108.655 110.092 -1.437 1
1 368 . 1 1 1 A 37 37 GLY H H 37 8.122 8.476 -0.354 1
1 369 . 1 1 1 A 37 37 GLY CA C 37 45.393 45.444 -0.051 1
1 370 . 1 1 1 A 37 37 GLY HA2 H 37 3.969 4.202 -0.233 1
1 371 . 1 1 1 A 37 37 GLY HA3 H 37 3.969 4.204 -0.235 1
1 372 . 1 1 1 A 37 37 GLY C C 37 174.101 172.268 1.833 1
1 373 . 1 1 1 A 38 38 GLU N N 38 120.249 120.108 0.141 1
1 374 . 1 1 1 A 38 38 GLU H H 38 8.035 8.515 -0.480 1
1 375 . 1 1 1 A 38 38 GLU CA C 38 56.257 55.780 0.477 1
1 376 . 1 1 1 A 38 38 GLU HA H 38 4.280 4.887 -0.607 1
1 377 . 1 1 1 A 38 38 GLU CB C 38 30.620 31.224 -0.604 1
1 383 . 1 1 1 A 38 38 GLU C C 38 176.208 175.645 0.563 1
1 384 . 1 1 1 A 39 39 LYS N N 39 123.351 121.179 2.172 1
1 385 . 1 1 1 A 39 39 LYS H H 39 8.388 8.597 -0.209 1
1 386 . 1 1 1 A 39 39 LYS CA C 39 54.120 53.089 1.031 1
1 387 . 1 1 1 A 39 39 LYS HA H 39 4.601 4.817 -0.216 1
1 388 . 1 1 1 A 39 39 LYS CB C 39 32.529 34.206 -1.677 1
1 400 . 1 1 1 A 39 39 LYS C C 39 174.534 173.786 0.748 1
1 401 . 1 1 1 A 40 40 PRO CA C 40 63.272 62.345 0.927 1
1 402 . 1 1 1 A 40 40 PRO HA H 40 4.457 4.582 -0.125 1
1 403 . 1 1 1 A 40 40 PRO CB C 40 32.172 32.673 -0.501 1
1 412 . 1 1 1 A 40 40 PRO C C 40 176.936 177.707 -0.771 1
1 413 . 1 1 1 A 41 41 SER N N 41 116.372 117.365 -0.993 1
1 414 . 1 1 1 A 41 41 SER H H 41 8.453 8.855 -0.402 1
1 415 . 1 1 1 A 41 41 SER CA C 41 58.319 60.628 -2.309 1
1 416 . 1 1 1 A 41 41 SER HA H 41 4.479 4.216 0.263 1
1 417 . 1 1 1 A 41 41 SER CB C 41 63.968 63.737 0.231 1
1 419 . 1 1 1 A 41 41 SER C C 41 174.592 174.662 -0.070 1
1 420 . 1 1 1 A 42 42 GLY CA C 42 44.667 45.460 -0.793 1
1 421 . 1 1 1 A 42 42 GLY HA2 H 42 4.124 3.996 0.128 1
1 422 . 1 1 1 A 42 42 GLY HA3 H 42 4.124 3.996 0.128 1
1 423 . 1 1 1 A 43 43 PRO CA C 43 63.273 63.607 -0.334 1
1 424 . 1 1 1 A 43 43 PRO HA H 43 4.461 4.438 0.023 1
1 425 . 1 1 1 A 43 43 PRO CB C 43 32.217 31.991 0.226 1
1 434 . 1 1 1 A 45 45 SER CA C 45 58.367 57.439 0.928 1
1 435 . 1 1 1 A 45 45 SER HA H 45 4.466 5.282 -0.816 1
1 436 . 1 1 1 A 45 45 SER CB C 45 63.999 64.127 -0.128 1
1 439 . 1 1 1 A 45 45 SER C C 45 173.901 174.932 -1.031 1
1 1 . 2 1 1 A 6 6 SER CA C 6 58.528 57.390 1.138 1
1 2 . 2 1 1 A 6 6 SER HA H 6 4.485 4.529 -0.044 1
1 3 . 2 1 1 A 6 6 SER CB C 6 63.865 63.004 0.861 1
1 6 . 2 1 1 A 6 6 SER C C 6 175.149 174.415 0.734 1
1 7 . 2 1 1 A 7 7 GLY N N 7 110.926 114.175 -3.249 1
1 8 . 2 1 1 A 7 7 GLY H H 7 8.464 8.366 0.098 1
1 9 . 2 1 1 A 7 7 GLY CA C 7 45.461 45.892 -0.431 1
1 10 . 2 1 1 A 7 7 GLY HA2 H 7 4.019 4.041 -0.022 1
1 11 . 2 1 1 A 7 7 GLY HA3 H 7 4.019 4.042 -0.023 1
1 12 . 2 1 1 A 7 7 GLY C C 7 174.546 174.303 0.243 1
1 13 . 2 1 1 A 8 8 THR N N 8 112.839 115.498 -2.659 1
1 14 . 2 1 1 A 8 8 THR H H 8 8.154 7.984 0.170 1
1 15 . 2 1 1 A 8 8 THR CA C 8 61.923 61.251 0.672 1
1 16 . 2 1 1 A 8 8 THR HA H 8 4.357 4.426 -0.069 1
1 17 . 2 1 1 A 8 8 THR CB C 8 69.768 68.570 1.198 1
1 23 . 2 1 1 A 8 8 THR C C 8 175.302 174.314 0.988 1
1 24 . 2 1 1 A 9 9 GLY N N 9 111.223 110.875 0.348 1
1 25 . 2 1 1 A 9 9 GLY H H 9 8.456 7.757 0.699 1
1 26 . 2 1 1 A 9 9 GLY CA C 9 45.282 44.193 1.089 1
1 27 . 2 1 1 A 9 9 GLY HA2 H 9 3.933 4.031 -0.098 1
1 28 . 2 1 1 A 9 9 GLY HA3 H 9 3.933 4.033 -0.100 1
1 29 . 2 1 1 A 9 9 GLY C C 9 173.949 173.738 0.211 1
1 30 . 2 1 1 A 10 10 GLU N N 10 120.531 120.226 0.305 1
1 31 . 2 1 1 A 10 10 GLU H H 10 8.215 9.004 -0.789 1
1 32 . 2 1 1 A 10 10 GLU CA C 10 56.445 57.398 -0.953 1
1 33 . 2 1 1 A 10 10 GLU HA H 10 4.223 4.001 0.222 1
1 34 . 2 1 1 A 10 10 GLU CB C 10 30.431 28.853 1.578 1
1 40 . 2 1 1 A 10 10 GLU C C 10 176.168 177.225 -1.057 1
1 41 . 2 1 1 A 11 11 ARG N N 11 122.264 117.152 5.112 1
1 42 . 2 1 1 A 11 11 ARG H H 11 8.353 8.291 0.062 1
1 43 . 2 1 1 A 11 11 ARG CA C 11 55.619 55.694 -0.075 1
1 44 . 2 1 1 A 11 11 ARG HA H 11 4.214 4.291 -0.077 1
1 45 . 2 1 1 A 11 11 ARG CB C 11 30.650 29.726 0.924 1
1 54 . 2 1 1 A 11 11 ARG C C 11 174.908 175.045 -0.137 1
1 55 . 2 1 1 A 12 12 HIS N N 12 119.171 119.467 -0.296 1
1 56 . 2 1 1 A 12 12 HIS H H 12 7.945 7.542 0.403 1
1 57 . 2 1 1 A 12 12 HIS CA C 12 55.289 54.377 0.912 1
1 58 . 2 1 1 A 12 12 HIS HA H 12 4.649 5.008 -0.359 1
1 59 . 2 1 1 A 12 12 HIS CB C 12 31.520 33.216 -1.696 1
1 66 . 2 1 1 A 12 12 HIS C C 12 173.771 173.092 0.679 1
1 67 . 2 1 1 A 13 13 TYR N N 13 121.025 125.345 -4.320 1
1 68 . 2 1 1 A 13 13 TYR H H 13 8.713 8.525 0.188 1
1 69 . 2 1 1 A 13 13 TYR CA C 13 57.433 57.304 0.129 1
1 70 . 2 1 1 A 13 13 TYR HA H 13 4.636 4.876 -0.240 1
1 71 . 2 1 1 A 13 13 TYR CB C 13 39.706 38.310 1.396 1
1 82 . 2 1 1 A 13 13 TYR C C 13 174.850 175.455 -0.605 1
1 83 . 2 1 1 A 14 14 GLU N N 14 123.621 124.552 -0.931 1
1 84 . 2 1 1 A 14 14 GLU H H 14 8.762 9.232 -0.470 1
1 85 . 2 1 1 A 14 14 GLU CA C 14 55.073 55.315 -0.242 1
1 86 . 2 1 1 A 14 14 GLU HA H 14 4.949 5.294 -0.345 1
1 87 . 2 1 1 A 14 14 GLU CB C 14 32.760 32.085 0.675 1
1 93 . 2 1 1 A 14 14 GLU C C 14 175.487 175.461 0.026 1
1 94 . 2 1 1 A 15 15 CYS N N 15 126.353 122.462 3.891 1
1 95 . 2 1 1 A 15 15 CYS H H 15 9.253 8.995 0.258 1
1 96 . 2 1 1 A 15 15 CYS CA C 15 59.508 57.656 1.852 1
1 97 . 2 1 1 A 15 15 CYS HA H 15 4.580 5.013 -0.433 1
1 98 . 2 1 1 A 15 15 CYS CB C 15 29.646 29.970 -0.324 1
1 101 . 2 1 1 A 15 15 CYS C C 15 177.465 175.614 1.851 1
1 102 . 2 1 1 A 16 16 SER CA C 16 60.968 58.300 2.668 1
1 103 . 2 1 1 A 16 16 SER HA H 16 4.291 4.701 -0.410 1
1 104 . 2 1 1 A 16 16 SER CB C 16 63.017 62.858 0.159 1
1 107 . 2 1 1 A 16 16 SER C C 16 174.550 174.648 -0.098 1
1 108 . 2 1 1 A 17 17 GLU N N 17 122.749 119.994 2.755 1
1 109 . 2 1 1 A 17 17 GLU H H 17 8.679 8.109 0.570 1
1 110 . 2 1 1 A 17 17 GLU CA C 17 58.170 57.275 0.895 1
1 111 . 2 1 1 A 17 17 GLU HA H 17 4.252 4.424 -0.172 1
1 112 . 2 1 1 A 17 17 GLU CB C 17 29.693 31.459 -1.766 1
1 118 . 2 1 1 A 17 17 GLU C C 17 177.114 177.819 -0.705 1
1 119 . 2 1 1 A 18 18 CYS N N 18 114.770 114.734 0.036 1
1 120 . 2 1 1 A 18 18 CYS H H 18 7.892 8.159 -0.267 1
1 121 . 2 1 1 A 18 18 CYS CA C 18 58.423 59.845 -1.422 1
1 122 . 2 1 1 A 18 18 CYS HA H 18 5.160 4.755 0.405 1
1 123 . 2 1 1 A 18 18 CYS CB C 18 32.475 29.916 2.559 1
1 126 . 2 1 1 A 18 18 CYS C C 18 176.207 175.429 0.778 1
1 127 . 2 1 1 A 19 19 GLY N N 19 113.459 109.563 3.896 1
1 128 . 2 1 1 A 19 19 GLY H H 19 8.233 8.102 0.131 1
1 129 . 2 1 1 A 19 19 GLY CA C 19 46.185 45.709 0.476 1
1 130 . 2 1 1 A 19 19 GLY HA2 H 19 3.869 4.064 -0.195 1
1 131 . 2 1 1 A 19 19 GLY HA3 H 19 4.218 4.064 0.154 1
1 132 . 2 1 1 A 19 19 GLY C C 19 173.698 173.856 -0.158 1
1 133 . 2 1 1 A 20 20 LYS N N 20 122.669 120.165 2.504 1
1 134 . 2 1 1 A 20 20 LYS H H 20 7.913 7.704 0.209 1
1 135 . 2 1 1 A 20 20 LYS CA C 20 58.015 54.673 3.342 1
1 136 . 2 1 1 A 20 20 LYS HA H 20 3.946 4.624 -0.678 1
1 137 . 2 1 1 A 20 20 LYS CB C 20 33.818 35.300 -1.482 1
1 149 . 2 1 1 A 20 20 LYS C C 20 173.787 174.393 -0.606 1
1 150 . 2 1 1 A 21 21 ALA N N 21 123.558 128.569 -5.011 1
1 151 . 2 1 1 A 21 21 ALA H H 21 7.862 8.704 -0.842 1
1 152 . 2 1 1 A 21 21 ALA CA C 21 50.537 50.109 0.428 1
1 153 . 2 1 1 A 21 21 ALA HA H 21 5.010 5.315 -0.305 1
1 154 . 2 1 1 A 21 21 ALA CB C 21 21.863 21.521 0.342 1
1 158 . 2 1 1 A 21 21 ALA C C 21 176.488 176.294 0.194 1
1 159 . 2 1 1 A 22 22 PHE N N 22 117.848 117.634 0.214 1
1 160 . 2 1 1 A 22 22 PHE H H 22 8.649 9.099 -0.450 1
1 161 . 2 1 1 A 22 22 PHE CA C 22 57.125 56.633 0.492 1
1 162 . 2 1 1 A 22 22 PHE HA H 22 4.749 4.990 -0.241 1
1 163 . 2 1 1 A 22 22 PHE CB C 22 43.540 43.061 0.479 1
1 176 . 2 1 1 A 22 22 PHE C C 22 175.470 175.383 0.087 1
1 177 . 2 1 1 A 23 23 ILE N N 23 118.637 124.321 -5.684 1
1 178 . 2 1 1 A 23 23 ILE H H 23 8.795 8.685 0.110 1
1 179 . 2 1 1 A 23 23 ILE CA C 23 62.569 63.034 -0.465 1
1 180 . 2 1 1 A 23 23 ILE HA H 23 4.413 3.896 0.517 1
1 181 . 2 1 1 A 23 23 ILE CB C 23 38.735 38.585 0.150 1
1 194 . 2 1 1 A 23 23 ILE C C 23 175.892 175.470 0.422 1
1 195 . 2 1 1 A 24 24 GLN N N 24 115.722 120.071 -4.349 1
1 196 . 2 1 1 A 24 24 GLN H H 24 7.552 7.734 -0.182 1
1 197 . 2 1 1 A 24 24 GLN CA C 24 54.181 54.603 -0.422 1
1 198 . 2 1 1 A 24 24 GLN HA H 24 4.813 4.586 0.227 1
1 199 . 2 1 1 A 24 24 GLN CB C 24 31.481 30.543 0.938 1
1 208 . 2 1 1 A 24 24 GLN C C 24 175.651 175.777 -0.126 1
1 209 . 2 1 1 A 25 25 LYS N N 25 125.530 124.712 0.818 1
1 210 . 2 1 1 A 25 25 LYS H H 25 8.527 8.537 -0.010 1
1 211 . 2 1 1 A 25 25 LYS CA C 25 59.400 59.289 0.111 1
1 212 . 2 1 1 A 25 25 LYS HA H 25 3.168 2.865 0.303 1
1 213 . 2 1 1 A 25 25 LYS CB C 25 31.725 31.407 0.318 1
1 225 . 2 1 1 A 25 25 LYS C C 25 178.710 177.479 1.231 1
1 226 . 2 1 1 A 26 26 SER CA C 26 60.794 61.559 -0.765 1
1 227 . 2 1 1 A 26 26 SER HA H 26 4.049 3.993 0.056 1
1 228 . 2 1 1 A 26 26 SER CB C 26 61.478 63.062 -1.584 1
1 231 . 2 1 1 A 26 26 SER C C 26 177.149 177.046 0.103 1
1 232 . 2 1 1 A 27 27 THR N N 27 118.548 116.987 1.561 1
1 233 . 2 1 1 A 27 27 THR H H 27 7.008 7.956 -0.948 1
1 234 . 2 1 1 A 27 27 THR CA C 27 65.197 66.378 -1.181 1
1 235 . 2 1 1 A 27 27 THR HA H 27 3.907 3.894 0.013 1
1 236 . 2 1 1 A 27 27 THR CB C 27 67.801 68.700 -0.899 1
1 242 . 2 1 1 A 27 27 THR C C 27 176.751 176.384 0.367 1
1 243 . 2 1 1 A 28 28 LEU N N 28 123.662 122.198 1.464 1
1 244 . 2 1 1 A 28 28 LEU H H 28 7.093 7.671 -0.578 1
1 245 . 2 1 1 A 28 28 LEU CA C 28 58.213 57.184 1.029 1
1 246 . 2 1 1 A 28 28 LEU HA H 28 3.176 3.355 -0.179 1
1 247 . 2 1 1 A 28 28 LEU CB C 28 39.863 41.834 -1.971 1
1 260 . 2 1 1 A 28 28 LEU C C 28 177.749 178.282 -0.533 1
1 261 . 2 1 1 A 29 29 SER N N 29 114.674 115.225 -0.551 1
1 262 . 2 1 1 A 29 29 SER H H 29 8.358 7.881 0.477 1
1 263 . 2 1 1 A 29 29 SER CA C 29 61.767 62.120 -0.353 1
1 264 . 2 1 1 A 29 29 SER HA H 29 4.257 4.063 0.194 1
1 265 . 2 1 1 A 29 29 SER CB C 29 62.473 62.761 -0.288 1
1 268 . 2 1 1 A 29 29 SER C C 29 177.197 176.816 0.381 1
1 269 . 2 1 1 A 30 30 MET N N 30 119.515 119.729 -0.214 1
1 270 . 2 1 1 A 30 30 MET H H 30 7.554 8.538 -0.984 1
1 271 . 2 1 1 A 30 30 MET CA C 30 58.170 57.786 0.384 1
1 272 . 2 1 1 A 30 30 MET HA H 30 4.152 4.165 -0.013 1
1 273 . 2 1 1 A 30 30 MET CB C 30 31.955 32.361 -0.406 1
1 283 . 2 1 1 A 30 30 MET C C 30 178.556 178.472 0.084 1
1 284 . 2 1 1 A 31 31 HIS N N 31 120.563 120.306 0.257 1
1 285 . 2 1 1 A 31 31 HIS H H 31 7.889 8.312 -0.423 1
1 286 . 2 1 1 A 31 31 HIS CA C 31 59.232 58.815 0.417 1
1 287 . 2 1 1 A 31 31 HIS HA H 31 4.172 4.172 0.000 1
1 288 . 2 1 1 A 31 31 HIS CB C 31 28.113 29.740 -1.627 1
1 295 . 2 1 1 A 31 31 HIS C C 31 176.443 177.451 -1.008 1
1 296 . 2 1 1 A 32 32 GLN N N 32 115.497 117.444 -1.947 1
1 297 . 2 1 1 A 32 32 GLN H H 32 8.418 8.693 -0.275 1
1 298 . 2 1 1 A 32 32 GLN CA C 32 59.471 59.276 0.195 1
1 299 . 2 1 1 A 32 32 GLN HA H 32 3.685 3.978 -0.293 1
1 300 . 2 1 1 A 32 32 GLN CB C 32 28.425 28.303 0.122 1
1 309 . 2 1 1 A 32 32 GLN C C 32 177.567 178.196 -0.629 1
1 310 . 2 1 1 A 33 33 ARG N N 33 117.423 117.736 -0.313 1
1 311 . 2 1 1 A 33 33 ARG H H 33 7.210 8.107 -0.897 1
1 312 . 2 1 1 A 33 33 ARG CA C 33 59.089 58.783 0.306 1
1 313 . 2 1 1 A 33 33 ARG HA H 33 3.923 4.072 -0.149 1
1 314 . 2 1 1 A 33 33 ARG CB C 33 30.078 30.184 -0.106 1
1 322 . 2 1 1 A 33 33 ARG C C 33 178.760 177.799 0.961 1
1 323 . 2 1 1 A 34 34 ILE N N 34 116.545 115.963 0.582 1
1 324 . 2 1 1 A 34 34 ILE H H 34 7.752 7.988 -0.236 1
1 325 . 2 1 1 A 34 34 ILE CA C 34 63.271 63.761 -0.490 1
1 326 . 2 1 1 A 34 34 ILE HA H 34 3.948 3.736 0.212 1
1 327 . 2 1 1 A 34 34 ILE CB C 34 37.597 37.227 0.370 1
1 340 . 2 1 1 A 34 34 ILE C C 34 177.960 177.018 0.942 1
1 341 . 2 1 1 A 35 35 HIS N N 35 117.514 119.107 -1.593 1
1 342 . 2 1 1 A 35 35 HIS H H 35 7.073 7.906 -0.833 1
1 343 . 2 1 1 A 35 35 HIS CA C 35 55.599 58.325 -2.726 1
1 344 . 2 1 1 A 35 35 HIS HA H 35 4.745 4.446 0.299 1
1 345 . 2 1 1 A 35 35 HIS CB C 35 28.499 31.013 -2.514 1
1 352 . 2 1 1 A 35 35 HIS C C 35 175.514 175.903 -0.389 1
1 353 . 2 1 1 A 36 36 ARG N N 36 118.480 118.149 0.331 1
1 354 . 2 1 1 A 36 36 ARG H H 36 7.543 7.797 -0.254 1
1 355 . 2 1 1 A 36 36 ARG CA C 36 56.414 56.322 0.092 1
1 356 . 2 1 1 A 36 36 ARG HA H 36 4.409 4.162 0.247 1
1 357 . 2 1 1 A 36 36 ARG CB C 36 30.891 29.869 1.022 1
1 366 . 2 1 1 A 36 36 ARG C C 36 176.661 175.981 0.680 1
1 367 . 2 1 1 A 37 37 GLY N N 37 108.655 111.993 -3.338 1
1 368 . 2 1 1 A 37 37 GLY H H 37 8.122 8.268 -0.146 1
1 369 . 2 1 1 A 37 37 GLY CA C 37 45.393 45.900 -0.507 1
1 370 . 2 1 1 A 37 37 GLY HA2 H 37 3.969 4.138 -0.169 1
1 371 . 2 1 1 A 37 37 GLY HA3 H 37 3.969 4.139 -0.170 1
1 372 . 2 1 1 A 37 37 GLY C C 37 174.101 173.877 0.224 1
1 373 . 2 1 1 A 38 38 GLU N N 38 120.249 118.412 1.837 1
1 374 . 2 1 1 A 38 38 GLU H H 38 8.035 7.840 0.195 1
1 375 . 2 1 1 A 38 38 GLU CA C 38 56.257 55.234 1.023 1
1 376 . 2 1 1 A 38 38 GLU HA H 38 4.280 4.933 -0.653 1
1 377 . 2 1 1 A 38 38 GLU CB C 38 30.620 31.887 -1.267 1
1 383 . 2 1 1 A 38 38 GLU C C 38 176.208 175.577 0.631 1
1 384 . 2 1 1 A 39 39 LYS N N 39 123.351 121.145 2.206 1
1 385 . 2 1 1 A 39 39 LYS H H 39 8.388 8.361 0.027 1
1 386 . 2 1 1 A 39 39 LYS CA C 39 54.120 55.396 -1.276 1
1 387 . 2 1 1 A 39 39 LYS HA H 39 4.601 4.258 0.343 1
1 388 . 2 1 1 A 39 39 LYS CB C 39 32.529 32.545 -0.016 1
1 400 . 2 1 1 A 39 39 LYS C C 39 174.534 175.893 -1.359 1
1 401 . 2 1 1 A 40 40 PRO CA C 40 63.272 62.575 0.697 1
1 402 . 2 1 1 A 40 40 PRO HA H 40 4.457 4.557 -0.100 1
1 403 . 2 1 1 A 40 40 PRO CB C 40 32.172 31.250 0.922 1
1 412 . 2 1 1 A 40 40 PRO C C 40 176.936 176.743 0.193 1
1 413 . 2 1 1 A 41 41 SER N N 41 116.372 118.501 -2.129 1
1 414 . 2 1 1 A 41 41 SER H H 41 8.453 8.554 -0.101 1
1 415 . 2 1 1 A 41 41 SER CA C 41 58.319 59.153 -0.834 1
1 416 . 2 1 1 A 41 41 SER HA H 41 4.479 4.255 0.224 1
1 417 . 2 1 1 A 41 41 SER CB C 41 63.968 63.386 0.582 1
1 419 . 2 1 1 A 41 41 SER C C 41 174.592 174.698 -0.106 1
1 420 . 2 1 1 A 42 42 GLY CA C 42 44.667 44.108 0.559 1
1 421 . 2 1 1 A 42 42 GLY HA2 H 42 4.124 4.073 0.051 1
1 422 . 2 1 1 A 42 42 GLY HA3 H 42 4.124 4.074 0.050 1
1 423 . 2 1 1 A 43 43 PRO CA C 43 63.273 62.706 0.567 1
1 424 . 2 1 1 A 43 43 PRO HA H 43 4.461 4.716 -0.255 1
1 425 . 2 1 1 A 43 43 PRO CB C 43 32.217 31.807 0.410 1
1 434 . 2 1 1 A 45 45 SER CA C 45 58.367 58.668 -0.301 1
1 435 . 2 1 1 A 45 45 SER HA H 45 4.466 4.368 0.098 1
1 436 . 2 1 1 A 45 45 SER CB C 45 63.999 63.475 0.524 1
1 439 . 2 1 1 A 45 45 SER C C 45 173.901 174.229 -0.328 1
1 1 . 3 1 1 A 6 6 SER CA C 6 58.528 58.849 -0.321 1
1 2 . 3 1 1 A 6 6 SER HA H 6 4.485 4.046 0.439 1
1 3 . 3 1 1 A 6 6 SER CB C 6 63.865 61.479 2.386 1
1 6 . 3 1 1 A 6 6 SER C C 6 175.149 173.820 1.329 1
1 7 . 3 1 1 A 7 7 GLY N N 7 110.926 108.017 2.909 1
1 8 . 3 1 1 A 7 7 GLY H H 7 8.464 8.154 0.310 1
1 9 . 3 1 1 A 7 7 GLY CA C 7 45.461 44.808 0.653 1
1 10 . 3 1 1 A 7 7 GLY HA2 H 7 4.019 3.955 0.064 1
1 11 . 3 1 1 A 7 7 GLY HA3 H 7 4.019 3.958 0.061 1
1 12 . 3 1 1 A 7 7 GLY C C 7 174.546 172.757 1.789 1
1 13 . 3 1 1 A 8 8 THR N N 8 112.839 115.307 -2.468 1
1 14 . 3 1 1 A 8 8 THR H H 8 8.154 8.613 -0.459 1
1 15 . 3 1 1 A 8 8 THR CA C 8 61.923 60.124 1.799 1
1 16 . 3 1 1 A 8 8 THR HA H 8 4.357 4.654 -0.297 1
1 17 . 3 1 1 A 8 8 THR CB C 8 69.768 69.907 -0.139 1
1 23 . 3 1 1 A 8 8 THR C C 8 175.302 173.283 2.019 1
1 24 . 3 1 1 A 9 9 GLY N N 9 111.223 112.196 -0.973 1
1 25 . 3 1 1 A 9 9 GLY H H 9 8.456 8.699 -0.243 1
1 26 . 3 1 1 A 9 9 GLY CA C 9 45.282 44.579 0.703 1
1 27 . 3 1 1 A 9 9 GLY HA2 H 9 3.933 4.186 -0.253 1
1 28 . 3 1 1 A 9 9 GLY HA3 H 9 3.933 4.209 -0.276 1
1 29 . 3 1 1 A 9 9 GLY C C 9 173.949 174.472 -0.523 1
1 30 . 3 1 1 A 10 10 GLU N N 10 120.531 120.831 -0.300 1
1 31 . 3 1 1 A 10 10 GLU H H 10 8.215 8.467 -0.252 1
1 32 . 3 1 1 A 10 10 GLU CA C 10 56.445 57.237 -0.792 1
1 33 . 3 1 1 A 10 10 GLU HA H 10 4.223 4.624 -0.401 1
1 34 . 3 1 1 A 10 10 GLU CB C 10 30.431 32.350 -1.919 1
1 40 . 3 1 1 A 10 10 GLU C C 10 176.168 176.329 -0.161 1
1 41 . 3 1 1 A 11 11 ARG N N 11 122.264 120.336 1.928 1
1 42 . 3 1 1 A 11 11 ARG H H 11 8.353 7.741 0.612 1
1 43 . 3 1 1 A 11 11 ARG CA C 11 55.619 56.222 -0.603 1
1 44 . 3 1 1 A 11 11 ARG HA H 11 4.214 4.256 -0.042 1
1 45 . 3 1 1 A 11 11 ARG CB C 11 30.650 30.460 0.190 1
1 54 . 3 1 1 A 11 11 ARG C C 11 174.908 175.030 -0.122 1
1 55 . 3 1 1 A 12 12 HIS N N 12 119.171 121.376 -2.205 1
1 56 . 3 1 1 A 12 12 HIS H H 12 7.945 8.271 -0.326 1
1 57 . 3 1 1 A 12 12 HIS CA C 12 55.289 54.599 0.690 1
1 58 . 3 1 1 A 12 12 HIS HA H 12 4.649 5.141 -0.492 1
1 59 . 3 1 1 A 12 12 HIS CB C 12 31.520 30.927 0.593 1
1 66 . 3 1 1 A 12 12 HIS C C 12 173.771 172.659 1.112 1
1 67 . 3 1 1 A 13 13 TYR N N 13 121.025 120.652 0.373 1
1 68 . 3 1 1 A 13 13 TYR H H 13 8.713 8.690 0.023 1
1 69 . 3 1 1 A 13 13 TYR CA C 13 57.433 58.665 -1.232 1
1 70 . 3 1 1 A 13 13 TYR HA H 13 4.636 4.627 0.009 1
1 71 . 3 1 1 A 13 13 TYR CB C 13 39.706 38.262 1.444 1
1 82 . 3 1 1 A 13 13 TYR C C 13 174.850 175.737 -0.887 1
1 83 . 3 1 1 A 14 14 GLU N N 14 123.621 124.481 -0.860 1
1 84 . 3 1 1 A 14 14 GLU H H 14 8.762 9.137 -0.375 1
1 85 . 3 1 1 A 14 14 GLU CA C 14 55.073 55.203 -0.130 1
1 86 . 3 1 1 A 14 14 GLU HA H 14 4.949 5.092 -0.143 1
1 87 . 3 1 1 A 14 14 GLU CB C 14 32.760 32.148 0.612 1
1 93 . 3 1 1 A 14 14 GLU C C 14 175.487 175.655 -0.168 1
1 94 . 3 1 1 A 15 15 CYS N N 15 126.353 122.821 3.532 1
1 95 . 3 1 1 A 15 15 CYS H H 15 9.253 8.841 0.412 1
1 96 . 3 1 1 A 15 15 CYS CA C 15 59.508 58.420 1.088 1
1 97 . 3 1 1 A 15 15 CYS HA H 15 4.580 4.841 -0.261 1
1 98 . 3 1 1 A 15 15 CYS CB C 15 29.646 28.995 0.651 1
1 101 . 3 1 1 A 15 15 CYS C C 15 177.465 176.153 1.312 1
1 102 . 3 1 1 A 16 16 SER CA C 16 60.968 58.566 2.402 1
1 103 . 3 1 1 A 16 16 SER HA H 16 4.291 4.660 -0.369 1
1 104 . 3 1 1 A 16 16 SER CB C 16 63.017 63.166 -0.149 1
1 107 . 3 1 1 A 16 16 SER C C 16 174.550 175.085 -0.535 1
1 108 . 3 1 1 A 17 17 GLU N N 17 122.749 120.611 2.138 1
1 109 . 3 1 1 A 17 17 GLU H H 17 8.679 7.907 0.772 1
1 110 . 3 1 1 A 17 17 GLU CA C 17 58.170 57.036 1.134 1
1 111 . 3 1 1 A 17 17 GLU HA H 17 4.252 4.396 -0.144 1
1 112 . 3 1 1 A 17 17 GLU CB C 17 29.693 30.830 -1.137 1
1 118 . 3 1 1 A 17 17 GLU C C 17 177.114 177.848 -0.734 1
1 119 . 3 1 1 A 18 18 CYS N N 18 114.770 114.896 -0.126 1
1 120 . 3 1 1 A 18 18 CYS H H 18 7.892 8.041 -0.149 1
1 121 . 3 1 1 A 18 18 CYS CA C 18 58.423 59.508 -1.085 1
1 122 . 3 1 1 A 18 18 CYS HA H 18 5.160 4.686 0.474 1
1 123 . 3 1 1 A 18 18 CYS CB C 18 32.475 30.127 2.348 1
1 126 . 3 1 1 A 18 18 CYS C C 18 176.207 175.618 0.589 1
1 127 . 3 1 1 A 19 19 GLY N N 19 113.459 109.887 3.572 1
1 128 . 3 1 1 A 19 19 GLY H H 19 8.233 8.041 0.192 1
1 129 . 3 1 1 A 19 19 GLY CA C 19 46.185 45.170 1.015 1
1 130 . 3 1 1 A 19 19 GLY HA2 H 19 3.869 4.078 -0.209 1
1 131 . 3 1 1 A 19 19 GLY HA3 H 19 4.218 4.086 0.132 1
1 132 . 3 1 1 A 19 19 GLY C C 19 173.698 174.610 -0.912 1
1 133 . 3 1 1 A 20 20 LYS N N 20 122.669 119.491 3.178 1
1 134 . 3 1 1 A 20 20 LYS H H 20 7.913 7.889 0.024 1
1 135 . 3 1 1 A 20 20 LYS CA C 20 58.015 55.670 2.345 1
1 136 . 3 1 1 A 20 20 LYS HA H 20 3.946 4.485 -0.539 1
1 137 . 3 1 1 A 20 20 LYS CB C 20 33.818 34.202 -0.384 1
1 149 . 3 1 1 A 20 20 LYS C C 20 173.787 175.030 -1.243 1
1 150 . 3 1 1 A 21 21 ALA N N 21 123.558 120.348 3.210 1
1 151 . 3 1 1 A 21 21 ALA H H 21 7.862 7.864 -0.002 1
1 152 . 3 1 1 A 21 21 ALA CA C 21 50.537 51.229 -0.692 1
1 153 . 3 1 1 A 21 21 ALA HA H 21 5.010 5.016 -0.006 1
1 154 . 3 1 1 A 21 21 ALA CB C 21 21.863 22.628 -0.765 1
1 158 . 3 1 1 A 21 21 ALA C C 21 176.488 174.823 1.665 1
1 159 . 3 1 1 A 22 22 PHE N N 22 117.848 118.462 -0.614 1
1 160 . 3 1 1 A 22 22 PHE H H 22 8.649 9.477 -0.828 1
1 161 . 3 1 1 A 22 22 PHE CA C 22 57.125 56.260 0.865 1
1 162 . 3 1 1 A 22 22 PHE HA H 22 4.749 4.906 -0.157 1
1 163 . 3 1 1 A 22 22 PHE CB C 22 43.540 42.803 0.737 1
1 176 . 3 1 1 A 22 22 PHE C C 22 175.470 175.846 -0.376 1
1 177 . 3 1 1 A 23 23 ILE N N 23 118.637 125.028 -6.391 1
1 178 . 3 1 1 A 23 23 ILE H H 23 8.795 8.642 0.153 1
1 179 . 3 1 1 A 23 23 ILE CA C 23 62.569 63.133 -0.564 1
1 180 . 3 1 1 A 23 23 ILE HA H 23 4.413 4.165 0.248 1
1 181 . 3 1 1 A 23 23 ILE CB C 23 38.735 38.714 0.021 1
1 194 . 3 1 1 A 23 23 ILE C C 23 175.892 175.259 0.633 1
1 195 . 3 1 1 A 24 24 GLN N N 24 115.722 118.877 -3.155 1
1 196 . 3 1 1 A 24 24 GLN H H 24 7.552 7.779 -0.227 1
1 197 . 3 1 1 A 24 24 GLN CA C 24 54.181 54.431 -0.250 1
1 198 . 3 1 1 A 24 24 GLN HA H 24 4.813 4.603 0.210 1
1 199 . 3 1 1 A 24 24 GLN CB C 24 31.481 31.266 0.215 1
1 208 . 3 1 1 A 24 24 GLN C C 24 175.651 175.351 0.300 1
1 209 . 3 1 1 A 25 25 LYS N N 25 125.530 125.540 -0.010 1
1 210 . 3 1 1 A 25 25 LYS H H 25 8.527 8.468 0.059 1
1 211 . 3 1 1 A 25 25 LYS CA C 25 59.400 59.084 0.316 1
1 212 . 3 1 1 A 25 25 LYS HA H 25 3.168 3.572 -0.404 1
1 213 . 3 1 1 A 25 25 LYS CB C 25 31.725 31.611 0.114 1
1 225 . 3 1 1 A 25 25 LYS C C 25 178.710 178.003 0.707 1
1 226 . 3 1 1 A 26 26 SER CA C 26 60.794 62.294 -1.500 1
1 227 . 3 1 1 A 26 26 SER HA H 26 4.049 4.018 0.031 1
1 228 . 3 1 1 A 26 26 SER CB C 26 61.478 63.224 -1.746 1
1 231 . 3 1 1 A 26 26 SER C C 26 177.149 176.552 0.597 1
1 232 . 3 1 1 A 27 27 THR N N 27 118.548 117.930 0.618 1
1 233 . 3 1 1 A 27 27 THR H H 27 7.008 7.809 -0.801 1
1 234 . 3 1 1 A 27 27 THR CA C 27 65.197 66.812 -1.615 1
1 235 . 3 1 1 A 27 27 THR HA H 27 3.907 3.942 -0.035 1
1 236 . 3 1 1 A 27 27 THR CB C 27 67.801 67.850 -0.049 1
1 242 . 3 1 1 A 27 27 THR C C 27 176.751 176.150 0.601 1
1 243 . 3 1 1 A 28 28 LEU N N 28 123.662 121.695 1.967 1
1 244 . 3 1 1 A 28 28 LEU H H 28 7.093 7.704 -0.611 1
1 245 . 3 1 1 A 28 28 LEU CA C 28 58.213 57.429 0.784 1
1 246 . 3 1 1 A 28 28 LEU HA H 28 3.176 2.740 0.436 1
1 247 . 3 1 1 A 28 28 LEU CB C 28 39.863 41.224 -1.361 1
1 260 . 3 1 1 A 28 28 LEU C C 28 177.749 178.302 -0.553 1
1 261 . 3 1 1 A 29 29 SER N N 29 114.674 114.370 0.304 1
1 262 . 3 1 1 A 29 29 SER H H 29 8.358 8.091 0.267 1
1 263 . 3 1 1 A 29 29 SER CA C 29 61.767 61.629 0.138 1
1 264 . 3 1 1 A 29 29 SER HA H 29 4.257 4.035 0.222 1
1 265 . 3 1 1 A 29 29 SER CB C 29 62.473 62.882 -0.409 1
1 268 . 3 1 1 A 29 29 SER C C 29 177.197 177.229 -0.032 1
1 269 . 3 1 1 A 30 30 MET N N 30 119.515 119.665 -0.150 1
1 270 . 3 1 1 A 30 30 MET H H 30 7.554 7.799 -0.245 1
1 271 . 3 1 1 A 30 30 MET CA C 30 58.170 57.907 0.263 1
1 272 . 3 1 1 A 30 30 MET HA H 30 4.152 4.139 0.013 1
1 273 . 3 1 1 A 30 30 MET CB C 30 31.955 31.937 0.018 1
1 283 . 3 1 1 A 30 30 MET C C 30 178.556 178.256 0.300 1
1 284 . 3 1 1 A 31 31 HIS N N 31 120.563 120.767 -0.204 1
1 285 . 3 1 1 A 31 31 HIS H H 31 7.889 8.099 -0.210 1
1 286 . 3 1 1 A 31 31 HIS CA C 31 59.232 58.763 0.469 1
1 287 . 3 1 1 A 31 31 HIS HA H 31 4.172 4.161 0.011 1
1 288 . 3 1 1 A 31 31 HIS CB C 31 28.113 30.069 -1.956 1
1 295 . 3 1 1 A 31 31 HIS C C 31 176.443 177.148 -0.705 1
1 296 . 3 1 1 A 32 32 GLN N N 32 115.497 117.537 -2.040 1
1 297 . 3 1 1 A 32 32 GLN H H 32 8.418 8.397 0.021 1
1 298 . 3 1 1 A 32 32 GLN CA C 32 59.471 59.173 0.298 1
1 299 . 3 1 1 A 32 32 GLN HA H 32 3.685 3.850 -0.165 1
1 300 . 3 1 1 A 32 32 GLN CB C 32 28.425 28.375 0.050 1
1 309 . 3 1 1 A 32 32 GLN C C 32 177.567 178.308 -0.741 1
1 310 . 3 1 1 A 33 33 ARG N N 33 117.423 117.642 -0.219 1
1 311 . 3 1 1 A 33 33 ARG H H 33 7.210 8.091 -0.881 1
1 312 . 3 1 1 A 33 33 ARG CA C 33 59.089 58.708 0.381 1
1 313 . 3 1 1 A 33 33 ARG HA H 33 3.923 4.044 -0.121 1
1 314 . 3 1 1 A 33 33 ARG CB C 33 30.078 30.075 0.003 1
1 322 . 3 1 1 A 33 33 ARG C C 33 178.760 177.711 1.049 1
1 323 . 3 1 1 A 34 34 ILE N N 34 116.545 115.647 0.898 1
1 324 . 3 1 1 A 34 34 ILE H H 34 7.752 7.912 -0.160 1
1 325 . 3 1 1 A 34 34 ILE CA C 34 63.271 63.767 -0.496 1
1 326 . 3 1 1 A 34 34 ILE HA H 34 3.948 3.717 0.231 1
1 327 . 3 1 1 A 34 34 ILE CB C 34 37.597 37.083 0.514 1
1 340 . 3 1 1 A 34 34 ILE C C 34 177.960 176.593 1.367 1
1 341 . 3 1 1 A 35 35 HIS N N 35 117.514 119.304 -1.790 1
1 342 . 3 1 1 A 35 35 HIS H H 35 7.073 7.760 -0.687 1
1 343 . 3 1 1 A 35 35 HIS CA C 35 55.599 55.801 -0.202 1
1 344 . 3 1 1 A 35 35 HIS HA H 35 4.745 4.622 0.123 1
1 345 . 3 1 1 A 35 35 HIS CB C 35 28.499 29.956 -1.457 1
1 352 . 3 1 1 A 35 35 HIS C C 35 175.514 174.505 1.009 1
1 353 . 3 1 1 A 36 36 ARG N N 36 118.480 115.235 3.245 1
1 354 . 3 1 1 A 36 36 ARG H H 36 7.543 8.181 -0.638 1
1 355 . 3 1 1 A 36 36 ARG CA C 36 56.414 54.699 1.715 1
1 356 . 3 1 1 A 36 36 ARG HA H 36 4.409 4.546 -0.137 1
1 357 . 3 1 1 A 36 36 ARG CB C 36 30.891 33.144 -2.253 1
1 366 . 3 1 1 A 36 36 ARG C C 36 176.661 175.306 1.355 1
1 367 . 3 1 1 A 37 37 GLY N N 37 108.655 111.091 -2.436 1
1 368 . 3 1 1 A 37 37 GLY H H 37 8.122 8.695 -0.573 1
1 369 . 3 1 1 A 37 37 GLY CA C 37 45.393 46.284 -0.891 1
1 370 . 3 1 1 A 37 37 GLY HA2 H 37 3.969 3.895 0.074 1
1 371 . 3 1 1 A 37 37 GLY HA3 H 37 3.969 3.901 0.068 1
1 372 . 3 1 1 A 37 37 GLY C C 37 174.101 173.580 0.521 1
1 373 . 3 1 1 A 38 38 GLU N N 38 120.249 119.284 0.965 1
1 374 . 3 1 1 A 38 38 GLU H H 38 8.035 7.686 0.349 1
1 375 . 3 1 1 A 38 38 GLU CA C 38 56.257 54.593 1.664 1
1 376 . 3 1 1 A 38 38 GLU HA H 38 4.280 4.892 -0.612 1
1 377 . 3 1 1 A 38 38 GLU CB C 38 30.620 33.387 -2.767 1
1 383 . 3 1 1 A 38 38 GLU C C 38 176.208 174.013 2.195 1
1 384 . 3 1 1 A 39 39 LYS N N 39 123.351 126.282 -2.931 1
1 385 . 3 1 1 A 39 39 LYS H H 39 8.388 8.944 -0.556 1
1 386 . 3 1 1 A 39 39 LYS CA C 39 54.120 52.727 1.393 1
1 387 . 3 1 1 A 39 39 LYS HA H 39 4.601 4.977 -0.376 1
1 388 . 3 1 1 A 39 39 LYS CB C 39 32.529 33.494 -0.965 1
1 400 . 3 1 1 A 39 39 LYS C C 39 174.534 174.385 0.149 1
1 401 . 3 1 1 A 40 40 PRO CA C 40 63.272 62.757 0.515 1
1 402 . 3 1 1 A 40 40 PRO HA H 40 4.457 4.622 -0.165 1
1 403 . 3 1 1 A 40 40 PRO CB C 40 32.172 31.650 0.522 1
1 412 . 3 1 1 A 40 40 PRO C C 40 176.936 176.327 0.609 1
1 413 . 3 1 1 A 41 41 SER N N 41 116.372 118.562 -2.190 1
1 414 . 3 1 1 A 41 41 SER H H 41 8.453 8.545 -0.092 1
1 415 . 3 1 1 A 41 41 SER CA C 41 58.319 59.174 -0.855 1
1 416 . 3 1 1 A 41 41 SER HA H 41 4.479 4.568 -0.089 1
1 417 . 3 1 1 A 41 41 SER CB C 41 63.968 63.418 0.550 1
1 419 . 3 1 1 A 41 41 SER C C 41 174.592 175.151 -0.559 1
1 420 . 3 1 1 A 42 42 GLY CA C 42 44.667 45.607 -0.940 1
1 421 . 3 1 1 A 42 42 GLY HA2 H 42 4.124 3.945 0.179 1
1 422 . 3 1 1 A 42 42 GLY HA3 H 42 4.124 3.947 0.177 1
1 423 . 3 1 1 A 43 43 PRO CA C 43 63.273 63.885 -0.612 1
1 424 . 3 1 1 A 43 43 PRO HA H 43 4.461 4.435 0.026 1
1 425 . 3 1 1 A 43 43 PRO CB C 43 32.217 31.757 0.460 1
1 434 . 3 1 1 A 45 45 SER CA C 45 58.367 57.083 1.284 1
1 435 . 3 1 1 A 45 45 SER HA H 45 4.466 4.625 -0.159 1
1 436 . 3 1 1 A 45 45 SER CB C 45 63.999 63.536 0.463 1
1 439 . 3 1 1 A 45 45 SER C C 45 173.901 173.586 0.315 1
1 1 . 4 1 1 A 6 6 SER CA C 6 58.528 57.493 1.035 1
1 2 . 4 1 1 A 6 6 SER HA H 6 4.485 4.869 -0.384 1
1 3 . 4 1 1 A 6 6 SER CB C 6 63.865 65.226 -1.361 1
1 6 . 4 1 1 A 6 6 SER C C 6 175.149 173.097 2.052 1
1 7 . 4 1 1 A 7 7 GLY N N 7 110.926 112.414 -1.488 1
1 8 . 4 1 1 A 7 7 GLY H H 7 8.464 8.502 -0.038 1
1 9 . 4 1 1 A 7 7 GLY CA C 7 45.461 44.355 1.106 1
1 10 . 4 1 1 A 7 7 GLY HA2 H 7 4.019 4.148 -0.129 1
1 11 . 4 1 1 A 7 7 GLY HA3 H 7 4.019 4.149 -0.130 1
1 12 . 4 1 1 A 7 7 GLY C C 7 174.546 171.655 2.891 1
1 13 . 4 1 1 A 8 8 THR N N 8 112.839 114.843 -2.004 1
1 14 . 4 1 1 A 8 8 THR H H 8 8.154 8.410 -0.256 1
1 15 . 4 1 1 A 8 8 THR CA C 8 61.923 59.321 2.602 1
1 16 . 4 1 1 A 8 8 THR HA H 8 4.357 5.289 -0.932 1
1 17 . 4 1 1 A 8 8 THR CB C 8 69.768 72.302 -2.534 1
1 23 . 4 1 1 A 8 8 THR C C 8 175.302 173.098 2.204 1
1 24 . 4 1 1 A 9 9 GLY N N 9 111.223 113.855 -2.632 1
1 25 . 4 1 1 A 9 9 GLY H H 9 8.456 8.441 0.015 1
1 26 . 4 1 1 A 9 9 GLY CA C 9 45.282 44.515 0.767 1
1 27 . 4 1 1 A 9 9 GLY HA2 H 9 3.933 4.221 -0.288 1
1 28 . 4 1 1 A 9 9 GLY HA3 H 9 3.933 4.233 -0.300 1
1 29 . 4 1 1 A 9 9 GLY C C 9 173.949 174.516 -0.567 1
1 30 . 4 1 1 A 10 10 GLU N N 10 120.531 119.707 0.824 1
1 31 . 4 1 1 A 10 10 GLU H H 10 8.215 8.599 -0.384 1
1 32 . 4 1 1 A 10 10 GLU CA C 10 56.445 57.061 -0.616 1
1 33 . 4 1 1 A 10 10 GLU HA H 10 4.223 4.594 -0.371 1
1 34 . 4 1 1 A 10 10 GLU CB C 10 30.431 31.984 -1.553 1
1 40 . 4 1 1 A 10 10 GLU C C 10 176.168 176.327 -0.159 1
1 41 . 4 1 1 A 11 11 ARG N N 11 122.264 119.686 2.578 1
1 42 . 4 1 1 A 11 11 ARG H H 11 8.353 7.729 0.624 1
1 43 . 4 1 1 A 11 11 ARG CA C 11 55.619 54.368 1.251 1
1 44 . 4 1 1 A 11 11 ARG HA H 11 4.214 4.823 -0.609 1
1 45 . 4 1 1 A 11 11 ARG CB C 11 30.650 33.855 -3.205 1
1 54 . 4 1 1 A 11 11 ARG C C 11 174.908 174.314 0.594 1
1 55 . 4 1 1 A 12 12 HIS N N 12 119.171 119.283 -0.112 1
1 56 . 4 1 1 A 12 12 HIS H H 12 7.945 8.619 -0.674 1
1 57 . 4 1 1 A 12 12 HIS CA C 12 55.289 53.860 1.429 1
1 58 . 4 1 1 A 12 12 HIS HA H 12 4.649 5.036 -0.387 1
1 59 . 4 1 1 A 12 12 HIS CB C 12 31.520 32.477 -0.957 1
1 66 . 4 1 1 A 12 12 HIS C C 12 173.771 172.101 1.670 1
1 67 . 4 1 1 A 13 13 TYR N N 13 121.025 119.557 1.468 1
1 68 . 4 1 1 A 13 13 TYR H H 13 8.713 9.107 -0.394 1
1 69 . 4 1 1 A 13 13 TYR CA C 13 57.433 58.139 -0.706 1
1 70 . 4 1 1 A 13 13 TYR HA H 13 4.636 4.937 -0.301 1
1 71 . 4 1 1 A 13 13 TYR CB C 13 39.706 38.785 0.921 1
1 82 . 4 1 1 A 13 13 TYR C C 13 174.850 175.319 -0.469 1
1 83 . 4 1 1 A 14 14 GLU N N 14 123.621 125.782 -2.161 1
1 84 . 4 1 1 A 14 14 GLU H H 14 8.762 9.032 -0.270 1
1 85 . 4 1 1 A 14 14 GLU CA C 14 55.073 54.891 0.182 1
1 86 . 4 1 1 A 14 14 GLU HA H 14 4.949 5.543 -0.594 1
1 87 . 4 1 1 A 14 14 GLU CB C 14 32.760 32.252 0.508 1
1 93 . 4 1 1 A 14 14 GLU C C 14 175.487 176.432 -0.945 1
1 94 . 4 1 1 A 15 15 CYS N N 15 126.353 126.037 0.316 1
1 95 . 4 1 1 A 15 15 CYS H H 15 9.253 9.417 -0.164 1
1 96 . 4 1 1 A 15 15 CYS CA C 15 59.508 60.171 -0.663 1
1 97 . 4 1 1 A 15 15 CYS HA H 15 4.580 4.565 0.015 1
1 98 . 4 1 1 A 15 15 CYS CB C 15 29.646 28.805 0.841 1
1 101 . 4 1 1 A 15 15 CYS C C 15 177.465 176.969 0.496 1
1 102 . 4 1 1 A 16 16 SER CA C 16 60.968 59.225 1.743 1
1 103 . 4 1 1 A 16 16 SER HA H 16 4.291 4.443 -0.152 1
1 104 . 4 1 1 A 16 16 SER CB C 16 63.017 62.908 0.109 1
1 107 . 4 1 1 A 16 16 SER C C 16 174.550 173.602 0.948 1
1 108 . 4 1 1 A 17 17 GLU N N 17 122.749 118.756 3.993 1
1 109 . 4 1 1 A 17 17 GLU H H 17 8.679 7.910 0.769 1
1 110 . 4 1 1 A 17 17 GLU CA C 17 58.170 56.715 1.455 1
1 111 . 4 1 1 A 17 17 GLU HA H 17 4.252 4.416 -0.164 1
1 112 . 4 1 1 A 17 17 GLU CB C 17 29.693 31.209 -1.516 1
1 118 . 4 1 1 A 17 17 GLU C C 17 177.114 177.908 -0.794 1
1 119 . 4 1 1 A 18 18 CYS N N 18 114.770 114.912 -0.142 1
1 120 . 4 1 1 A 18 18 CYS H H 18 7.892 7.997 -0.105 1
1 121 . 4 1 1 A 18 18 CYS CA C 18 58.423 59.604 -1.181 1
1 122 . 4 1 1 A 18 18 CYS HA H 18 5.160 4.744 0.416 1
1 123 . 4 1 1 A 18 18 CYS CB C 18 32.475 29.775 2.700 1
1 126 . 4 1 1 A 18 18 CYS C C 18 176.207 175.446 0.761 1
1 127 . 4 1 1 A 19 19 GLY N N 19 113.459 109.809 3.650 1
1 128 . 4 1 1 A 19 19 GLY H H 19 8.233 8.027 0.206 1
1 129 . 4 1 1 A 19 19 GLY CA C 19 46.185 45.548 0.637 1
1 130 . 4 1 1 A 19 19 GLY HA2 H 19 3.869 4.082 -0.213 1
1 131 . 4 1 1 A 19 19 GLY HA3 H 19 4.218 4.098 0.120 1
1 132 . 4 1 1 A 19 19 GLY C C 19 173.698 174.223 -0.525 1
1 133 . 4 1 1 A 20 20 LYS N N 20 122.669 120.739 1.930 1
1 134 . 4 1 1 A 20 20 LYS H H 20 7.913 7.812 0.101 1
1 135 . 4 1 1 A 20 20 LYS CA C 20 58.015 54.646 3.369 1
1 136 . 4 1 1 A 20 20 LYS HA H 20 3.946 4.564 -0.618 1
1 137 . 4 1 1 A 20 20 LYS CB C 20 33.818 34.923 -1.105 1
1 149 . 4 1 1 A 20 20 LYS C C 20 173.787 175.074 -1.287 1
1 150 . 4 1 1 A 21 21 ALA N N 21 123.558 128.282 -4.724 1
1 151 . 4 1 1 A 21 21 ALA H H 21 7.862 8.616 -0.754 1
1 152 . 4 1 1 A 21 21 ALA CA C 21 50.537 50.831 -0.294 1
1 153 . 4 1 1 A 21 21 ALA HA H 21 5.010 5.038 -0.028 1
1 154 . 4 1 1 A 21 21 ALA CB C 21 21.863 20.408 1.455 1
1 158 . 4 1 1 A 21 21 ALA C C 21 176.488 176.340 0.148 1
1 159 . 4 1 1 A 22 22 PHE N N 22 117.848 117.331 0.517 1
1 160 . 4 1 1 A 22 22 PHE H H 22 8.649 8.472 0.177 1
1 161 . 4 1 1 A 22 22 PHE CA C 22 57.125 56.932 0.193 1
1 162 . 4 1 1 A 22 22 PHE HA H 22 4.749 5.013 -0.264 1
1 163 . 4 1 1 A 22 22 PHE CB C 22 43.540 43.714 -0.174 1
1 176 . 4 1 1 A 22 22 PHE C C 22 175.470 175.891 -0.421 1
1 177 . 4 1 1 A 23 23 ILE N N 23 118.637 123.071 -4.434 1
1 178 . 4 1 1 A 23 23 ILE H H 23 8.795 8.995 -0.200 1
1 179 . 4 1 1 A 23 23 ILE CA C 23 62.569 63.225 -0.656 1
1 180 . 4 1 1 A 23 23 ILE HA H 23 4.413 4.422 -0.009 1
1 181 . 4 1 1 A 23 23 ILE CB C 23 38.735 40.379 -1.644 1
1 194 . 4 1 1 A 23 23 ILE C C 23 175.892 174.924 0.968 1
1 195 . 4 1 1 A 24 24 GLN N N 24 115.722 118.844 -3.122 1
1 196 . 4 1 1 A 24 24 GLN H H 24 7.552 7.959 -0.407 1
1 197 . 4 1 1 A 24 24 GLN CA C 24 54.181 54.450 -0.269 1
1 198 . 4 1 1 A 24 24 GLN HA H 24 4.813 4.955 -0.142 1
1 199 . 4 1 1 A 24 24 GLN CB C 24 31.481 31.900 -0.419 1
1 208 . 4 1 1 A 24 24 GLN C C 24 175.651 176.233 -0.582 1
1 209 . 4 1 1 A 25 25 LYS N N 25 125.530 123.873 1.657 1
1 210 . 4 1 1 A 25 25 LYS H H 25 8.527 8.671 -0.144 1
1 211 . 4 1 1 A 25 25 LYS CA C 25 59.400 59.798 -0.398 1
1 212 . 4 1 1 A 25 25 LYS HA H 25 3.168 3.351 -0.183 1
1 213 . 4 1 1 A 25 25 LYS CB C 25 31.725 31.707 0.018 1
1 225 . 4 1 1 A 25 25 LYS C C 25 178.710 178.312 0.398 1
1 226 . 4 1 1 A 26 26 SER CA C 26 60.794 62.195 -1.401 1
1 227 . 4 1 1 A 26 26 SER HA H 26 4.049 4.030 0.019 1
1 228 . 4 1 1 A 26 26 SER CB C 26 61.478 62.963 -1.485 1
1 231 . 4 1 1 A 26 26 SER C C 26 177.149 176.035 1.114 1
1 232 . 4 1 1 A 27 27 THR N N 27 118.548 117.150 1.398 1
1 233 . 4 1 1 A 27 27 THR H H 27 7.008 8.032 -1.024 1
1 234 . 4 1 1 A 27 27 THR CA C 27 65.197 66.790 -1.593 1
1 235 . 4 1 1 A 27 27 THR HA H 27 3.907 3.990 -0.083 1
1 236 . 4 1 1 A 27 27 THR CB C 27 67.801 68.636 -0.835 1
1 242 . 4 1 1 A 27 27 THR C C 27 176.751 176.326 0.425 1
1 243 . 4 1 1 A 28 28 LEU N N 28 123.662 121.932 1.730 1
1 244 . 4 1 1 A 28 28 LEU H H 28 7.093 7.755 -0.662 1
1 245 . 4 1 1 A 28 28 LEU CA C 28 58.213 57.230 0.983 1
1 246 . 4 1 1 A 28 28 LEU HA H 28 3.176 2.138 1.038 1
1 247 . 4 1 1 A 28 28 LEU CB C 28 39.863 41.122 -1.259 1
1 260 . 4 1 1 A 28 28 LEU C C 28 177.749 177.945 -0.196 1
1 261 . 4 1 1 A 29 29 SER N N 29 114.674 113.719 0.955 1
1 262 . 4 1 1 A 29 29 SER H H 29 8.358 8.273 0.085 1
1 263 . 4 1 1 A 29 29 SER CA C 29 61.767 61.257 0.510 1
1 264 . 4 1 1 A 29 29 SER HA H 29 4.257 4.061 0.196 1
1 265 . 4 1 1 A 29 29 SER CB C 29 62.473 62.415 0.058 1
1 268 . 4 1 1 A 29 29 SER C C 29 177.197 177.341 -0.144 1
1 269 . 4 1 1 A 30 30 MET N N 30 119.515 119.752 -0.237 1
1 270 . 4 1 1 A 30 30 MET H H 30 7.554 8.002 -0.448 1
1 271 . 4 1 1 A 30 30 MET CA C 30 58.170 58.392 -0.222 1
1 272 . 4 1 1 A 30 30 MET HA H 30 4.152 4.071 0.081 1
1 273 . 4 1 1 A 30 30 MET CB C 30 31.955 32.171 -0.216 1
1 283 . 4 1 1 A 30 30 MET C C 30 178.556 178.401 0.155 1
1 284 . 4 1 1 A 31 31 HIS N N 31 120.563 119.800 0.763 1
1 285 . 4 1 1 A 31 31 HIS H H 31 7.889 8.075 -0.186 1
1 286 . 4 1 1 A 31 31 HIS CA C 31 59.232 58.988 0.244 1
1 287 . 4 1 1 A 31 31 HIS HA H 31 4.172 4.253 -0.081 1
1 288 . 4 1 1 A 31 31 HIS CB C 31 28.113 30.459 -2.346 1
1 295 . 4 1 1 A 31 31 HIS C C 31 176.443 177.238 -0.795 1
1 296 . 4 1 1 A 32 32 GLN N N 32 115.497 117.646 -2.149 1
1 297 . 4 1 1 A 32 32 GLN H H 32 8.418 8.384 0.034 1
1 298 . 4 1 1 A 32 32 GLN CA C 32 59.471 59.252 0.219 1
1 299 . 4 1 1 A 32 32 GLN HA H 32 3.685 3.942 -0.257 1
1 300 . 4 1 1 A 32 32 GLN CB C 32 28.425 28.275 0.150 1
1 309 . 4 1 1 A 32 32 GLN C C 32 177.567 178.385 -0.818 1
1 310 . 4 1 1 A 33 33 ARG N N 33 117.423 117.747 -0.324 1
1 311 . 4 1 1 A 33 33 ARG H H 33 7.210 7.919 -0.709 1
1 312 . 4 1 1 A 33 33 ARG CA C 33 59.089 58.794 0.295 1
1 313 . 4 1 1 A 33 33 ARG HA H 33 3.923 4.071 -0.148 1
1 314 . 4 1 1 A 33 33 ARG CB C 33 30.078 30.155 -0.077 1
1 322 . 4 1 1 A 33 33 ARG C C 33 178.760 177.811 0.949 1
1 323 . 4 1 1 A 34 34 ILE N N 34 116.545 115.966 0.579 1
1 324 . 4 1 1 A 34 34 ILE H H 34 7.752 8.096 -0.344 1
1 325 . 4 1 1 A 34 34 ILE CA C 34 63.271 63.744 -0.473 1
1 326 . 4 1 1 A 34 34 ILE HA H 34 3.948 3.788 0.160 1
1 327 . 4 1 1 A 34 34 ILE CB C 34 37.597 37.302 0.295 1
1 340 . 4 1 1 A 34 34 ILE C C 34 177.960 176.644 1.316 1
1 341 . 4 1 1 A 35 35 HIS N N 35 117.514 120.025 -2.511 1
1 342 . 4 1 1 A 35 35 HIS H H 35 7.073 8.141 -1.068 1
1 343 . 4 1 1 A 35 35 HIS CA C 35 55.599 56.107 -0.508 1
1 344 . 4 1 1 A 35 35 HIS HA H 35 4.745 4.624 0.121 1
1 345 . 4 1 1 A 35 35 HIS CB C 35 28.499 29.071 -0.572 1
1 352 . 4 1 1 A 35 35 HIS C C 35 175.514 175.992 -0.478 1
1 353 . 4 1 1 A 36 36 ARG N N 36 118.480 117.725 0.755 1
1 354 . 4 1 1 A 36 36 ARG H H 36 7.543 8.197 -0.654 1
1 355 . 4 1 1 A 36 36 ARG CA C 36 56.414 56.715 -0.301 1
1 356 . 4 1 1 A 36 36 ARG HA H 36 4.409 4.422 -0.013 1
1 357 . 4 1 1 A 36 36 ARG CB C 36 30.891 32.764 -1.873 1
1 366 . 4 1 1 A 36 36 ARG C C 36 176.661 178.152 -1.491 1
1 367 . 4 1 1 A 37 37 GLY N N 37 108.655 108.547 0.108 1
1 368 . 4 1 1 A 37 37 GLY H H 37 8.122 7.883 0.239 1
1 369 . 4 1 1 A 37 37 GLY CA C 37 45.393 47.079 -1.686 1
1 370 . 4 1 1 A 37 37 GLY HA2 H 37 3.969 3.740 0.229 1
1 371 . 4 1 1 A 37 37 GLY HA3 H 37 3.969 3.750 0.219 1
1 372 . 4 1 1 A 37 37 GLY C C 37 174.101 174.022 0.079 1
1 373 . 4 1 1 A 38 38 GLU N N 38 120.249 117.196 3.053 1
1 374 . 4 1 1 A 38 38 GLU H H 38 8.035 7.850 0.185 1
1 375 . 4 1 1 A 38 38 GLU CA C 38 56.257 54.576 1.681 1
1 376 . 4 1 1 A 38 38 GLU HA H 38 4.280 4.859 -0.579 1
1 377 . 4 1 1 A 38 38 GLU CB C 38 30.620 33.288 -2.668 1
1 383 . 4 1 1 A 38 38 GLU C C 38 176.208 175.082 1.126 1
1 384 . 4 1 1 A 39 39 LYS N N 39 123.351 120.656 2.695 1
1 385 . 4 1 1 A 39 39 LYS H H 39 8.388 8.488 -0.100 1
1 386 . 4 1 1 A 39 39 LYS CA C 39 54.120 53.104 1.016 1
1 387 . 4 1 1 A 39 39 LYS HA H 39 4.601 4.723 -0.122 1
1 388 . 4 1 1 A 39 39 LYS CB C 39 32.529 33.782 -1.253 1
1 400 . 4 1 1 A 39 39 LYS C C 39 174.534 176.191 -1.657 1
1 401 . 4 1 1 A 40 40 PRO CA C 40 63.272 64.562 -1.290 1
1 402 . 4 1 1 A 40 40 PRO HA H 40 4.457 4.426 0.031 1
1 403 . 4 1 1 A 40 40 PRO CB C 40 32.172 31.955 0.217 1
1 412 . 4 1 1 A 40 40 PRO C C 40 176.936 176.481 0.455 1
1 413 . 4 1 1 A 41 41 SER N N 41 116.372 113.412 2.960 1
1 414 . 4 1 1 A 41 41 SER H H 41 8.453 7.719 0.734 1
1 415 . 4 1 1 A 41 41 SER CA C 41 58.319 58.426 -0.107 1
1 416 . 4 1 1 A 41 41 SER HA H 41 4.479 4.362 0.117 1
1 417 . 4 1 1 A 41 41 SER CB C 41 63.968 63.565 0.403 1
1 419 . 4 1 1 A 41 41 SER C C 41 174.592 174.149 0.443 1
1 420 . 4 1 1 A 42 42 GLY CA C 42 44.667 44.128 0.539 1
1 421 . 4 1 1 A 42 42 GLY HA2 H 42 4.124 4.349 -0.225 1
1 422 . 4 1 1 A 42 42 GLY HA3 H 42 4.124 4.350 -0.226 1
1 423 . 4 1 1 A 43 43 PRO CA C 43 63.273 62.728 0.545 1
1 424 . 4 1 1 A 43 43 PRO HA H 43 4.461 4.631 -0.170 1
1 425 . 4 1 1 A 43 43 PRO CB C 43 32.217 31.853 0.364 1
1 434 . 4 1 1 A 45 45 SER CA C 45 58.367 58.283 0.084 1
1 435 . 4 1 1 A 45 45 SER HA H 45 4.466 4.878 -0.412 1
1 436 . 4 1 1 A 45 45 SER CB C 45 63.999 62.996 1.003 1
1 439 . 4 1 1 A 45 45 SER C C 45 173.901 174.676 -0.775 1
1 1 . 5 1 1 A 6 6 SER CA C 6 58.528 58.708 -0.180 1
1 2 . 5 1 1 A 6 6 SER HA H 6 4.485 4.666 -0.181 1
1 3 . 5 1 1 A 6 6 SER CB C 6 63.865 65.282 -1.417 1
1 6 . 5 1 1 A 6 6 SER C C 6 175.149 175.005 0.144 1
1 7 . 5 1 1 A 7 7 GLY N N 7 110.926 111.036 -0.110 1
1 8 . 5 1 1 A 7 7 GLY H H 7 8.464 8.166 0.298 1
1 9 . 5 1 1 A 7 7 GLY CA C 7 45.461 47.086 -1.625 1
1 10 . 5 1 1 A 7 7 GLY HA2 H 7 4.019 3.869 0.150 1
1 11 . 5 1 1 A 7 7 GLY HA3 H 7 4.019 3.869 0.150 1
1 12 . 5 1 1 A 7 7 GLY C C 7 174.546 173.878 0.668 1
1 13 . 5 1 1 A 8 8 THR N N 8 112.839 118.524 -5.685 1
1 14 . 5 1 1 A 8 8 THR H H 8 8.154 8.749 -0.595 1
1 15 . 5 1 1 A 8 8 THR CA C 8 61.923 63.726 -1.803 1
1 16 . 5 1 1 A 8 8 THR HA H 8 4.357 4.114 0.243 1
1 17 . 5 1 1 A 8 8 THR CB C 8 69.768 69.197 0.571 1
1 23 . 5 1 1 A 8 8 THR C C 8 175.302 175.395 -0.093 1
1 24 . 5 1 1 A 9 9 GLY N N 9 111.223 113.345 -2.122 1
1 25 . 5 1 1 A 9 9 GLY H H 9 8.456 8.664 -0.208 1
1 26 . 5 1 1 A 9 9 GLY CA C 9 45.282 45.755 -0.473 1
1 27 . 5 1 1 A 9 9 GLY HA2 H 9 3.933 3.981 -0.048 1
1 28 . 5 1 1 A 9 9 GLY HA3 H 9 3.933 3.983 -0.050 1
1 29 . 5 1 1 A 9 9 GLY C C 9 173.949 173.589 0.360 1
1 30 . 5 1 1 A 10 10 GLU N N 10 120.531 121.354 -0.823 1
1 31 . 5 1 1 A 10 10 GLU H H 10 8.215 8.425 -0.210 1
1 32 . 5 1 1 A 10 10 GLU CA C 10 56.445 56.764 -0.319 1
1 33 . 5 1 1 A 10 10 GLU HA H 10 4.223 4.401 -0.178 1
1 34 . 5 1 1 A 10 10 GLU CB C 10 30.431 30.358 0.073 1
1 40 . 5 1 1 A 10 10 GLU C C 10 176.168 175.874 0.294 1
1 41 . 5 1 1 A 11 11 ARG N N 11 122.264 121.325 0.939 1
1 42 . 5 1 1 A 11 11 ARG H H 11 8.353 8.970 -0.617 1
1 43 . 5 1 1 A 11 11 ARG CA C 11 55.619 56.887 -1.268 1
1 44 . 5 1 1 A 11 11 ARG HA H 11 4.214 4.498 -0.284 1
1 45 . 5 1 1 A 11 11 ARG CB C 11 30.650 32.947 -2.297 1
1 54 . 5 1 1 A 11 11 ARG C C 11 174.908 176.004 -1.096 1
1 55 . 5 1 1 A 12 12 HIS N N 12 119.171 119.148 0.023 1
1 56 . 5 1 1 A 12 12 HIS H H 12 7.945 7.833 0.112 1
1 57 . 5 1 1 A 12 12 HIS CA C 12 55.289 55.802 -0.513 1
1 58 . 5 1 1 A 12 12 HIS HA H 12 4.649 4.535 0.114 1
1 59 . 5 1 1 A 12 12 HIS CB C 12 31.520 30.879 0.641 1
1 66 . 5 1 1 A 12 12 HIS C C 12 173.771 174.147 -0.376 1
1 67 . 5 1 1 A 13 13 TYR N N 13 121.025 126.316 -5.291 1
1 68 . 5 1 1 A 13 13 TYR H H 13 8.713 8.417 0.296 1
1 69 . 5 1 1 A 13 13 TYR CA C 13 57.433 56.873 0.560 1
1 70 . 5 1 1 A 13 13 TYR HA H 13 4.636 4.622 0.014 1
1 71 . 5 1 1 A 13 13 TYR CB C 13 39.706 36.824 2.882 1
1 82 . 5 1 1 A 13 13 TYR C C 13 174.850 175.263 -0.413 1
1 83 . 5 1 1 A 14 14 GLU N N 14 123.621 123.539 0.082 1
1 84 . 5 1 1 A 14 14 GLU H H 14 8.762 8.724 0.038 1
1 85 . 5 1 1 A 14 14 GLU CA C 14 55.073 55.041 0.032 1
1 86 . 5 1 1 A 14 14 GLU HA H 14 4.949 5.281 -0.332 1
1 87 . 5 1 1 A 14 14 GLU CB C 14 32.760 31.341 1.419 1
1 93 . 5 1 1 A 14 14 GLU C C 14 175.487 176.167 -0.680 1
1 94 . 5 1 1 A 15 15 CYS N N 15 126.353 123.173 3.180 1
1 95 . 5 1 1 A 15 15 CYS H H 15 9.253 9.365 -0.112 1
1 96 . 5 1 1 A 15 15 CYS CA C 15 59.508 59.387 0.121 1
1 97 . 5 1 1 A 15 15 CYS HA H 15 4.580 4.634 -0.054 1
1 98 . 5 1 1 A 15 15 CYS CB C 15 29.646 28.261 1.385 1
1 101 . 5 1 1 A 15 15 CYS C C 15 177.465 176.126 1.339 1
1 102 . 5 1 1 A 16 16 SER CA C 16 60.968 57.995 2.973 1
1 103 . 5 1 1 A 16 16 SER HA H 16 4.291 4.640 -0.349 1
1 104 . 5 1 1 A 16 16 SER CB C 16 63.017 63.141 -0.124 1
1 107 . 5 1 1 A 16 16 SER C C 16 174.550 175.321 -0.771 1
1 108 . 5 1 1 A 17 17 GLU N N 17 122.749 121.644 1.105 1
1 109 . 5 1 1 A 17 17 GLU H H 17 8.679 7.952 0.727 1
1 110 . 5 1 1 A 17 17 GLU CA C 17 58.170 57.127 1.043 1
1 111 . 5 1 1 A 17 17 GLU HA H 17 4.252 4.440 -0.188 1
1 112 . 5 1 1 A 17 17 GLU CB C 17 29.693 31.195 -1.502 1
1 118 . 5 1 1 A 17 17 GLU C C 17 177.114 177.806 -0.692 1
1 119 . 5 1 1 A 18 18 CYS N N 18 114.770 114.899 -0.129 1
1 120 . 5 1 1 A 18 18 CYS H H 18 7.892 8.174 -0.282 1
1 121 . 5 1 1 A 18 18 CYS CA C 18 58.423 59.845 -1.422 1
1 122 . 5 1 1 A 18 18 CYS HA H 18 5.160 4.703 0.457 1
1 123 . 5 1 1 A 18 18 CYS CB C 18 32.475 29.544 2.931 1
1 126 . 5 1 1 A 18 18 CYS C C 18 176.207 175.257 0.950 1
1 127 . 5 1 1 A 19 19 GLY N N 19 113.459 109.573 3.886 1
1 128 . 5 1 1 A 19 19 GLY H H 19 8.233 7.977 0.256 1
1 129 . 5 1 1 A 19 19 GLY CA C 19 46.185 45.313 0.872 1
1 130 . 5 1 1 A 19 19 GLY HA2 H 19 3.869 4.097 -0.228 1
1 131 . 5 1 1 A 19 19 GLY HA3 H 19 4.218 4.106 0.112 1
1 132 . 5 1 1 A 19 19 GLY C C 19 173.698 174.325 -0.627 1
1 133 . 5 1 1 A 20 20 LYS N N 20 122.669 120.959 1.710 1
1 134 . 5 1 1 A 20 20 LYS H H 20 7.913 7.871 0.042 1
1 135 . 5 1 1 A 20 20 LYS CA C 20 58.015 55.020 2.995 1
1 136 . 5 1 1 A 20 20 LYS HA H 20 3.946 4.739 -0.793 1
1 137 . 5 1 1 A 20 20 LYS CB C 20 33.818 34.948 -1.130 1
1 149 . 5 1 1 A 20 20 LYS C C 20 173.787 174.768 -0.981 1
1 150 . 5 1 1 A 21 21 ALA N N 21 123.558 124.495 -0.937 1
1 151 . 5 1 1 A 21 21 ALA H H 21 7.862 8.199 -0.337 1
1 152 . 5 1 1 A 21 21 ALA CA C 21 50.537 50.048 0.489 1
1 153 . 5 1 1 A 21 21 ALA HA H 21 5.010 5.515 -0.505 1
1 154 . 5 1 1 A 21 21 ALA CB C 21 21.863 23.373 -1.510 1
1 158 . 5 1 1 A 21 21 ALA C C 21 176.488 175.200 1.288 1
1 159 . 5 1 1 A 22 22 PHE N N 22 117.848 116.322 1.526 1
1 160 . 5 1 1 A 22 22 PHE H H 22 8.649 8.780 -0.131 1
1 161 . 5 1 1 A 22 22 PHE CA C 22 57.125 56.612 0.513 1
1 162 . 5 1 1 A 22 22 PHE HA H 22 4.749 4.937 -0.188 1
1 163 . 5 1 1 A 22 22 PHE CB C 22 43.540 43.492 0.048 1
1 176 . 5 1 1 A 22 22 PHE C C 22 175.470 175.512 -0.042 1
1 177 . 5 1 1 A 23 23 ILE N N 23 118.637 124.487 -5.850 1
1 178 . 5 1 1 A 23 23 ILE H H 23 8.795 8.701 0.094 1
1 179 . 5 1 1 A 23 23 ILE CA C 23 62.569 63.687 -1.118 1
1 180 . 5 1 1 A 23 23 ILE HA H 23 4.413 4.115 0.298 1
1 181 . 5 1 1 A 23 23 ILE CB C 23 38.735 38.526 0.209 1
1 194 . 5 1 1 A 23 23 ILE C C 23 175.892 175.514 0.378 1
1 195 . 5 1 1 A 24 24 GLN N N 24 115.722 119.522 -3.800 1
1 196 . 5 1 1 A 24 24 GLN H H 24 7.552 7.801 -0.249 1
1 197 . 5 1 1 A 24 24 GLN CA C 24 54.181 54.592 -0.411 1
1 198 . 5 1 1 A 24 24 GLN HA H 24 4.813 4.678 0.135 1
1 199 . 5 1 1 A 24 24 GLN CB C 24 31.481 30.867 0.614 1
1 208 . 5 1 1 A 24 24 GLN C C 24 175.651 176.079 -0.428 1
1 209 . 5 1 1 A 25 25 LYS N N 25 125.530 124.380 1.150 1
1 210 . 5 1 1 A 25 25 LYS H H 25 8.527 8.586 -0.059 1
1 211 . 5 1 1 A 25 25 LYS CA C 25 59.400 59.495 -0.095 1
1 212 . 5 1 1 A 25 25 LYS HA H 25 3.168 3.100 0.068 1
1 213 . 5 1 1 A 25 25 LYS CB C 25 31.725 31.420 0.305 1
1 225 . 5 1 1 A 25 25 LYS C C 25 178.710 177.916 0.794 1
1 226 . 5 1 1 A 26 26 SER CA C 26 60.794 62.310 -1.516 1
1 227 . 5 1 1 A 26 26 SER HA H 26 4.049 4.007 0.042 1
1 228 . 5 1 1 A 26 26 SER CB C 26 61.478 63.005 -1.527 1
1 231 . 5 1 1 A 26 26 SER C C 26 177.149 175.986 1.163 1
1 232 . 5 1 1 A 27 27 THR N N 27 118.548 117.107 1.441 1
1 233 . 5 1 1 A 27 27 THR H H 27 7.008 7.960 -0.952 1
1 234 . 5 1 1 A 27 27 THR CA C 27 65.197 66.894 -1.697 1
1 235 . 5 1 1 A 27 27 THR HA H 27 3.907 3.983 -0.076 1
1 236 . 5 1 1 A 27 27 THR CB C 27 67.801 68.633 -0.832 1
1 242 . 5 1 1 A 27 27 THR C C 27 176.751 176.159 0.592 1
1 243 . 5 1 1 A 28 28 LEU N N 28 123.662 121.728 1.934 1
1 244 . 5 1 1 A 28 28 LEU H H 28 7.093 7.477 -0.384 1
1 245 . 5 1 1 A 28 28 LEU CA C 28 58.213 57.153 1.060 1
1 246 . 5 1 1 A 28 28 LEU HA H 28 3.176 2.394 0.782 1
1 247 . 5 1 1 A 28 28 LEU CB C 28 39.863 40.973 -1.110 1
1 260 . 5 1 1 A 28 28 LEU C C 28 177.749 178.065 -0.316 1
1 261 . 5 1 1 A 29 29 SER N N 29 114.674 114.617 0.057 1
1 262 . 5 1 1 A 29 29 SER H H 29 8.358 7.626 0.732 1
1 263 . 5 1 1 A 29 29 SER CA C 29 61.767 61.620 0.147 1
1 264 . 5 1 1 A 29 29 SER HA H 29 4.257 3.996 0.261 1
1 265 . 5 1 1 A 29 29 SER CB C 29 62.473 62.903 -0.430 1
1 268 . 5 1 1 A 29 29 SER C C 29 177.197 177.206 -0.009 1
1 269 . 5 1 1 A 30 30 MET N N 30 119.515 119.484 0.031 1
1 270 . 5 1 1 A 30 30 MET H H 30 7.554 8.017 -0.463 1
1 271 . 5 1 1 A 30 30 MET CA C 30 58.170 58.166 0.004 1
1 272 . 5 1 1 A 30 30 MET HA H 30 4.152 4.119 0.033 1
1 273 . 5 1 1 A 30 30 MET CB C 30 31.955 31.917 0.038 1
1 283 . 5 1 1 A 30 30 MET C C 30 178.556 178.293 0.263 1
1 284 . 5 1 1 A 31 31 HIS N N 31 120.563 120.468 0.095 1
1 285 . 5 1 1 A 31 31 HIS H H 31 7.889 7.949 -0.060 1
1 286 . 5 1 1 A 31 31 HIS CA C 31 59.232 58.927 0.305 1
1 287 . 5 1 1 A 31 31 HIS HA H 31 4.172 4.233 -0.061 1
1 288 . 5 1 1 A 31 31 HIS CB C 31 28.113 30.128 -2.015 1
1 295 . 5 1 1 A 31 31 HIS C C 31 176.443 177.519 -1.076 1
1 296 . 5 1 1 A 32 32 GLN N N 32 115.497 117.571 -2.074 1
1 297 . 5 1 1 A 32 32 GLN H H 32 8.418 8.566 -0.148 1
1 298 . 5 1 1 A 32 32 GLN CA C 32 59.471 59.342 0.129 1
1 299 . 5 1 1 A 32 32 GLN HA H 32 3.685 4.035 -0.350 1
1 300 . 5 1 1 A 32 32 GLN CB C 32 28.425 28.353 0.072 1
1 309 . 5 1 1 A 32 32 GLN C C 32 177.567 178.333 -0.766 1
1 310 . 5 1 1 A 33 33 ARG N N 33 117.423 117.825 -0.402 1
1 311 . 5 1 1 A 33 33 ARG H H 33 7.210 8.160 -0.950 1
1 312 . 5 1 1 A 33 33 ARG CA C 33 59.089 58.842 0.247 1
1 313 . 5 1 1 A 33 33 ARG HA H 33 3.923 4.061 -0.138 1
1 314 . 5 1 1 A 33 33 ARG CB C 33 30.078 30.142 -0.064 1
1 322 . 5 1 1 A 33 33 ARG C C 33 178.760 177.808 0.952 1
1 323 . 5 1 1 A 34 34 ILE N N 34 116.545 115.962 0.583 1
1 324 . 5 1 1 A 34 34 ILE H H 34 7.752 7.988 -0.236 1
1 325 . 5 1 1 A 34 34 ILE CA C 34 63.271 63.694 -0.423 1
1 326 . 5 1 1 A 34 34 ILE HA H 34 3.948 3.736 0.212 1
1 327 . 5 1 1 A 34 34 ILE CB C 34 37.597 37.211 0.386 1
1 340 . 5 1 1 A 34 34 ILE C C 34 177.960 177.035 0.925 1
1 341 . 5 1 1 A 35 35 HIS N N 35 117.514 119.238 -1.724 1
1 342 . 5 1 1 A 35 35 HIS H H 35 7.073 7.589 -0.516 1
1 343 . 5 1 1 A 35 35 HIS CA C 35 55.599 58.265 -2.666 1
1 344 . 5 1 1 A 35 35 HIS HA H 35 4.745 4.438 0.307 1
1 345 . 5 1 1 A 35 35 HIS CB C 35 28.499 31.077 -2.578 1
1 352 . 5 1 1 A 35 35 HIS C C 35 175.514 175.817 -0.303 1
1 353 . 5 1 1 A 36 36 ARG N N 36 118.480 117.639 0.841 1
1 354 . 5 1 1 A 36 36 ARG H H 36 7.543 7.829 -0.286 1
1 355 . 5 1 1 A 36 36 ARG CA C 36 56.414 55.396 1.018 1
1 356 . 5 1 1 A 36 36 ARG HA H 36 4.409 4.394 0.015 1
1 357 . 5 1 1 A 36 36 ARG CB C 36 30.891 28.962 1.929 1
1 366 . 5 1 1 A 36 36 ARG C C 36 176.661 175.268 1.393 1
1 367 . 5 1 1 A 37 37 GLY N N 37 108.655 111.856 -3.201 1
1 368 . 5 1 1 A 37 37 GLY H H 37 8.122 8.063 0.059 1
1 369 . 5 1 1 A 37 37 GLY CA C 37 45.393 44.481 0.912 1
1 370 . 5 1 1 A 37 37 GLY HA2 H 37 3.969 4.196 -0.227 1
1 371 . 5 1 1 A 37 37 GLY HA3 H 37 3.969 4.196 -0.227 1
1 372 . 5 1 1 A 37 37 GLY C C 37 174.101 172.466 1.635 1
1 373 . 5 1 1 A 38 38 GLU N N 38 120.249 121.021 -0.772 1
1 374 . 5 1 1 A 38 38 GLU H H 38 8.035 8.387 -0.352 1
1 375 . 5 1 1 A 38 38 GLU CA C 38 56.257 55.875 0.382 1
1 376 . 5 1 1 A 38 38 GLU HA H 38 4.280 4.290 -0.010 1
1 377 . 5 1 1 A 38 38 GLU CB C 38 30.620 28.592 2.028 1
1 383 . 5 1 1 A 38 38 GLU C C 38 176.208 175.195 1.013 1
1 384 . 5 1 1 A 39 39 LYS N N 39 123.351 125.301 -1.950 1
1 385 . 5 1 1 A 39 39 LYS H H 39 8.388 7.990 0.398 1
1 386 . 5 1 1 A 39 39 LYS CA C 39 54.120 53.002 1.118 1
1 387 . 5 1 1 A 39 39 LYS HA H 39 4.601 4.791 -0.190 1
1 388 . 5 1 1 A 39 39 LYS CB C 39 32.529 34.427 -1.898 1
1 400 . 5 1 1 A 39 39 LYS C C 39 174.534 173.890 0.644 1
1 401 . 5 1 1 A 40 40 PRO CA C 40 63.272 62.929 0.343 1
1 402 . 5 1 1 A 40 40 PRO HA H 40 4.457 4.750 -0.293 1
1 403 . 5 1 1 A 40 40 PRO CB C 40 32.172 31.701 0.471 1
1 412 . 5 1 1 A 40 40 PRO C C 40 176.936 175.328 1.608 1
1 413 . 5 1 1 A 41 41 SER N N 41 116.372 118.099 -1.727 1
1 414 . 5 1 1 A 41 41 SER H H 41 8.453 8.785 -0.332 1
1 415 . 5 1 1 A 41 41 SER CA C 41 58.319 56.547 1.772 1
1 416 . 5 1 1 A 41 41 SER HA H 41 4.479 5.051 -0.572 1
1 417 . 5 1 1 A 41 41 SER CB C 41 63.968 65.772 -1.804 1
1 419 . 5 1 1 A 41 41 SER C C 41 174.592 173.116 1.476 1
1 420 . 5 1 1 A 42 42 GLY CA C 42 44.667 44.398 0.269 1
1 421 . 5 1 1 A 42 42 GLY HA2 H 42 4.124 4.069 0.055 1
1 422 . 5 1 1 A 42 42 GLY HA3 H 42 4.124 4.069 0.055 1
1 423 . 5 1 1 A 43 43 PRO CA C 43 63.273 63.876 -0.603 1
1 424 . 5 1 1 A 43 43 PRO HA H 43 4.461 4.562 -0.101 1
1 425 . 5 1 1 A 43 43 PRO CB C 43 32.217 31.827 0.390 1
1 434 . 5 1 1 A 45 45 SER CA C 45 58.367 59.697 -1.330 1
1 435 . 5 1 1 A 45 45 SER HA H 45 4.466 4.521 -0.055 1
1 436 . 5 1 1 A 45 45 SER CB C 45 63.999 64.837 -0.838 1
1 439 . 5 1 1 A 45 45 SER C C 45 173.901 174.563 -0.662 1
1 1 . 6 1 1 A 6 6 SER CA C 6 58.528 57.669 0.859 1
1 2 . 6 1 1 A 6 6 SER HA H 6 4.485 4.683 -0.198 1
1 3 . 6 1 1 A 6 6 SER CB C 6 63.865 63.750 0.115 1
1 6 . 6 1 1 A 6 6 SER C C 6 175.149 174.281 0.868 1
1 7 . 6 1 1 A 7 7 GLY N N 7 110.926 114.645 -3.719 1
1 8 . 6 1 1 A 7 7 GLY H H 7 8.464 8.506 -0.042 1
1 9 . 6 1 1 A 7 7 GLY CA C 7 45.461 46.639 -1.178 1
1 10 . 6 1 1 A 7 7 GLY HA2 H 7 4.019 3.887 0.132 1
1 11 . 6 1 1 A 7 7 GLY HA3 H 7 4.019 3.887 0.132 1
1 12 . 6 1 1 A 7 7 GLY C C 7 174.546 175.283 -0.737 1
1 13 . 6 1 1 A 8 8 THR N N 8 112.839 116.214 -3.375 1
1 14 . 6 1 1 A 8 8 THR H H 8 8.154 7.916 0.238 1
1 15 . 6 1 1 A 8 8 THR CA C 8 61.923 63.976 -2.053 1
1 16 . 6 1 1 A 8 8 THR HA H 8 4.357 4.333 0.024 1
1 17 . 6 1 1 A 8 8 THR CB C 8 69.768 70.230 -0.462 1
1 23 . 6 1 1 A 8 8 THR C C 8 175.302 174.720 0.582 1
1 24 . 6 1 1 A 9 9 GLY N N 9 111.223 108.831 2.392 1
1 25 . 6 1 1 A 9 9 GLY H H 9 8.456 7.992 0.464 1
1 26 . 6 1 1 A 9 9 GLY CA C 9 45.282 44.392 0.890 1
1 27 . 6 1 1 A 9 9 GLY HA2 H 9 3.933 3.980 -0.047 1
1 28 . 6 1 1 A 9 9 GLY HA3 H 9 3.933 4.009 -0.076 1
1 29 . 6 1 1 A 9 9 GLY C C 9 173.949 174.419 -0.470 1
1 30 . 6 1 1 A 10 10 GLU N N 10 120.531 120.072 0.459 1
1 31 . 6 1 1 A 10 10 GLU H H 10 8.215 8.755 -0.540 1
1 32 . 6 1 1 A 10 10 GLU CA C 10 56.445 57.179 -0.734 1
1 33 . 6 1 1 A 10 10 GLU HA H 10 4.223 4.224 -0.001 1
1 34 . 6 1 1 A 10 10 GLU CB C 10 30.431 28.415 2.016 1
1 40 . 6 1 1 A 10 10 GLU C C 10 176.168 176.397 -0.229 1
1 41 . 6 1 1 A 11 11 ARG N N 11 122.264 119.835 2.429 1
1 42 . 6 1 1 A 11 11 ARG H H 11 8.353 7.512 0.841 1
1 43 . 6 1 1 A 11 11 ARG CA C 11 55.619 57.155 -1.536 1
1 44 . 6 1 1 A 11 11 ARG HA H 11 4.214 4.321 -0.107 1
1 45 . 6 1 1 A 11 11 ARG CB C 11 30.650 31.644 -0.994 1
1 54 . 6 1 1 A 11 11 ARG C C 11 174.908 175.502 -0.594 1
1 55 . 6 1 1 A 12 12 HIS N N 12 119.171 115.027 4.144 1
1 56 . 6 1 1 A 12 12 HIS H H 12 7.945 6.925 1.020 1
1 57 . 6 1 1 A 12 12 HIS CA C 12 55.289 55.901 -0.612 1
1 58 . 6 1 1 A 12 12 HIS HA H 12 4.649 4.530 0.119 1
1 59 . 6 1 1 A 12 12 HIS CB C 12 31.520 30.341 1.179 1
1 66 . 6 1 1 A 12 12 HIS C C 12 173.771 175.041 -1.270 1
1 67 . 6 1 1 A 13 13 TYR N N 13 121.025 123.060 -2.035 1
1 68 . 6 1 1 A 13 13 TYR H H 13 8.713 8.338 0.375 1
1 69 . 6 1 1 A 13 13 TYR CA C 13 57.433 59.806 -2.373 1
1 70 . 6 1 1 A 13 13 TYR HA H 13 4.636 4.414 0.222 1
1 71 . 6 1 1 A 13 13 TYR CB C 13 39.706 39.276 0.430 1
1 82 . 6 1 1 A 13 13 TYR C C 13 174.850 176.283 -1.433 1
1 83 . 6 1 1 A 14 14 GLU N N 14 123.621 124.169 -0.548 1
1 84 . 6 1 1 A 14 14 GLU H H 14 8.762 9.007 -0.245 1
1 85 . 6 1 1 A 14 14 GLU CA C 14 55.073 55.217 -0.144 1
1 86 . 6 1 1 A 14 14 GLU HA H 14 4.949 5.045 -0.096 1
1 87 . 6 1 1 A 14 14 GLU CB C 14 32.760 32.256 0.504 1
1 93 . 6 1 1 A 14 14 GLU C C 14 175.487 175.522 -0.035 1
1 94 . 6 1 1 A 15 15 CYS N N 15 126.353 123.196 3.157 1
1 95 . 6 1 1 A 15 15 CYS H H 15 9.253 9.404 -0.151 1
1 96 . 6 1 1 A 15 15 CYS CA C 15 59.508 58.564 0.944 1
1 97 . 6 1 1 A 15 15 CYS HA H 15 4.580 4.809 -0.229 1
1 98 . 6 1 1 A 15 15 CYS CB C 15 29.646 29.169 0.477 1
1 101 . 6 1 1 A 15 15 CYS C C 15 177.465 176.077 1.388 1
1 102 . 6 1 1 A 16 16 SER CA C 16 60.968 58.157 2.811 1
1 103 . 6 1 1 A 16 16 SER HA H 16 4.291 4.751 -0.460 1
1 104 . 6 1 1 A 16 16 SER CB C 16 63.017 63.450 -0.433 1
1 107 . 6 1 1 A 16 16 SER C C 16 174.550 174.519 0.031 1
1 108 . 6 1 1 A 17 17 GLU N N 17 122.749 120.034 2.715 1
1 109 . 6 1 1 A 17 17 GLU H H 17 8.679 7.879 0.800 1
1 110 . 6 1 1 A 17 17 GLU CA C 17 58.170 56.966 1.204 1
1 111 . 6 1 1 A 17 17 GLU HA H 17 4.252 4.362 -0.110 1
1 112 . 6 1 1 A 17 17 GLU CB C 17 29.693 30.850 -1.157 1
1 118 . 6 1 1 A 17 17 GLU C C 17 177.114 178.022 -0.908 1
1 119 . 6 1 1 A 18 18 CYS N N 18 114.770 114.507 0.263 1
1 120 . 6 1 1 A 18 18 CYS H H 18 7.892 7.998 -0.106 1
1 121 . 6 1 1 A 18 18 CYS CA C 18 58.423 59.363 -0.940 1
1 122 . 6 1 1 A 18 18 CYS HA H 18 5.160 4.767 0.393 1
1 123 . 6 1 1 A 18 18 CYS CB C 18 32.475 30.531 1.944 1
1 126 . 6 1 1 A 18 18 CYS C C 18 176.207 175.710 0.497 1
1 127 . 6 1 1 A 19 19 GLY N N 19 113.459 110.081 3.378 1
1 128 . 6 1 1 A 19 19 GLY H H 19 8.233 8.143 0.090 1
1 129 . 6 1 1 A 19 19 GLY CA C 19 46.185 45.003 1.182 1
1 130 . 6 1 1 A 19 19 GLY HA2 H 19 3.869 4.087 -0.218 1
1 131 . 6 1 1 A 19 19 GLY HA3 H 19 4.218 4.105 0.113 1
1 132 . 6 1 1 A 19 19 GLY C C 19 173.698 174.578 -0.880 1
1 133 . 6 1 1 A 20 20 LYS N N 20 122.669 122.621 0.048 1
1 134 . 6 1 1 A 20 20 LYS H H 20 7.913 7.632 0.281 1
1 135 . 6 1 1 A 20 20 LYS CA C 20 58.015 55.954 2.061 1
1 136 . 6 1 1 A 20 20 LYS HA H 20 3.946 4.187 -0.241 1
1 137 . 6 1 1 A 20 20 LYS CB C 20 33.818 33.389 0.429 1
1 149 . 6 1 1 A 20 20 LYS C C 20 173.787 175.559 -1.772 1
1 150 . 6 1 1 A 21 21 ALA N N 21 123.558 128.204 -4.646 1
1 151 . 6 1 1 A 21 21 ALA H H 21 7.862 8.315 -0.453 1
1 152 . 6 1 1 A 21 21 ALA CA C 21 50.537 49.799 0.738 1
1 153 . 6 1 1 A 21 21 ALA HA H 21 5.010 5.673 -0.663 1
1 154 . 6 1 1 A 21 21 ALA CB C 21 21.863 22.721 -0.858 1
1 158 . 6 1 1 A 21 21 ALA C C 21 176.488 175.397 1.091 1
1 159 . 6 1 1 A 22 22 PHE N N 22 117.848 117.206 0.642 1
1 160 . 6 1 1 A 22 22 PHE H H 22 8.649 9.043 -0.394 1
1 161 . 6 1 1 A 22 22 PHE CA C 22 57.125 56.194 0.931 1
1 162 . 6 1 1 A 22 22 PHE HA H 22 4.749 4.873 -0.124 1
1 163 . 6 1 1 A 22 22 PHE CB C 22 43.540 41.934 1.606 1
1 176 . 6 1 1 A 22 22 PHE C C 22 175.470 175.865 -0.395 1
1 177 . 6 1 1 A 23 23 ILE N N 23 118.637 125.342 -6.705 1
1 178 . 6 1 1 A 23 23 ILE H H 23 8.795 8.646 0.149 1
1 179 . 6 1 1 A 23 23 ILE CA C 23 62.569 64.541 -1.972 1
1 180 . 6 1 1 A 23 23 ILE HA H 23 4.413 4.117 0.296 1
1 181 . 6 1 1 A 23 23 ILE CB C 23 38.735 38.132 0.603 1
1 194 . 6 1 1 A 23 23 ILE C C 23 175.892 175.391 0.501 1
1 195 . 6 1 1 A 24 24 GLN N N 24 115.722 119.167 -3.445 1
1 196 . 6 1 1 A 24 24 GLN H H 24 7.552 7.970 -0.418 1
1 197 . 6 1 1 A 24 24 GLN CA C 24 54.181 54.322 -0.141 1
1 198 . 6 1 1 A 24 24 GLN HA H 24 4.813 4.855 -0.042 1
1 199 . 6 1 1 A 24 24 GLN CB C 24 31.481 30.781 0.700 1
1 208 . 6 1 1 A 24 24 GLN C C 24 175.651 176.169 -0.518 1
1 209 . 6 1 1 A 25 25 LYS N N 25 125.530 123.596 1.934 1
1 210 . 6 1 1 A 25 25 LYS H H 25 8.527 8.596 -0.069 1
1 211 . 6 1 1 A 25 25 LYS CA C 25 59.400 57.768 1.632 1
1 212 . 6 1 1 A 25 25 LYS HA H 25 3.168 3.297 -0.129 1
1 213 . 6 1 1 A 25 25 LYS CB C 25 31.725 31.125 0.600 1
1 225 . 6 1 1 A 25 25 LYS C C 25 178.710 178.179 0.531 1
1 226 . 6 1 1 A 26 26 SER CA C 26 60.794 62.499 -1.705 1
1 227 . 6 1 1 A 26 26 SER HA H 26 4.049 4.093 -0.044 1
1 228 . 6 1 1 A 26 26 SER CB C 26 61.478 62.788 -1.310 1
1 231 . 6 1 1 A 26 26 SER C C 26 177.149 176.235 0.914 1
1 232 . 6 1 1 A 27 27 THR N N 27 118.548 117.689 0.859 1
1 233 . 6 1 1 A 27 27 THR H H 27 7.008 7.871 -0.863 1
1 234 . 6 1 1 A 27 27 THR CA C 27 65.197 66.555 -1.358 1
1 235 . 6 1 1 A 27 27 THR HA H 27 3.907 4.058 -0.151 1
1 236 . 6 1 1 A 27 27 THR CB C 27 67.801 68.293 -0.492 1
1 242 . 6 1 1 A 27 27 THR C C 27 176.751 176.239 0.512 1
1 243 . 6 1 1 A 28 28 LEU N N 28 123.662 122.171 1.491 1
1 244 . 6 1 1 A 28 28 LEU H H 28 7.093 7.666 -0.573 1
1 245 . 6 1 1 A 28 28 LEU CA C 28 58.213 56.802 1.411 1
1 246 . 6 1 1 A 28 28 LEU HA H 28 3.176 2.859 0.317 1
1 247 . 6 1 1 A 28 28 LEU CB C 28 39.863 41.587 -1.724 1
1 260 . 6 1 1 A 28 28 LEU C C 28 177.749 178.114 -0.365 1
1 261 . 6 1 1 A 29 29 SER N N 29 114.674 114.067 0.607 1
1 262 . 6 1 1 A 29 29 SER H H 29 8.358 7.726 0.632 1
1 263 . 6 1 1 A 29 29 SER CA C 29 61.767 61.060 0.707 1
1 264 . 6 1 1 A 29 29 SER HA H 29 4.257 4.072 0.185 1
1 265 . 6 1 1 A 29 29 SER CB C 29 62.473 63.028 -0.555 1
1 268 . 6 1 1 A 29 29 SER C C 29 177.197 176.746 0.451 1
1 269 . 6 1 1 A 30 30 MET N N 30 119.515 118.900 0.615 1
1 270 . 6 1 1 A 30 30 MET H H 30 7.554 8.142 -0.588 1
1 271 . 6 1 1 A 30 30 MET CA C 30 58.170 57.796 0.374 1
1 272 . 6 1 1 A 30 30 MET HA H 30 4.152 4.229 -0.077 1
1 273 . 6 1 1 A 30 30 MET CB C 30 31.955 32.501 -0.546 1
1 283 . 6 1 1 A 30 30 MET C C 30 178.556 178.453 0.103 1
1 284 . 6 1 1 A 31 31 HIS N N 31 120.563 120.296 0.267 1
1 285 . 6 1 1 A 31 31 HIS H H 31 7.889 7.953 -0.064 1
1 286 . 6 1 1 A 31 31 HIS CA C 31 59.232 58.899 0.333 1
1 287 . 6 1 1 A 31 31 HIS HA H 31 4.172 4.201 -0.029 1
1 288 . 6 1 1 A 31 31 HIS CB C 31 28.113 30.155 -2.042 1
1 295 . 6 1 1 A 31 31 HIS C C 31 176.443 177.480 -1.037 1
1 296 . 6 1 1 A 32 32 GLN N N 32 115.497 117.551 -2.054 1
1 297 . 6 1 1 A 32 32 GLN H H 32 8.418 8.401 0.017 1
1 298 . 6 1 1 A 32 32 GLN CA C 32 59.471 58.905 0.566 1
1 299 . 6 1 1 A 32 32 GLN HA H 32 3.685 3.736 -0.051 1
1 300 . 6 1 1 A 32 32 GLN CB C 32 28.425 28.125 0.300 1
1 309 . 6 1 1 A 32 32 GLN C C 32 177.567 178.516 -0.949 1
1 310 . 6 1 1 A 33 33 ARG N N 33 117.423 118.034 -0.611 1
1 311 . 6 1 1 A 33 33 ARG H H 33 7.210 8.122 -0.912 1
1 312 . 6 1 1 A 33 33 ARG CA C 33 59.089 58.753 0.336 1
1 313 . 6 1 1 A 33 33 ARG HA H 33 3.923 4.048 -0.125 1
1 314 . 6 1 1 A 33 33 ARG CB C 33 30.078 29.989 0.089 1
1 322 . 6 1 1 A 33 33 ARG C C 33 178.760 177.978 0.782 1
1 323 . 6 1 1 A 34 34 ILE N N 34 116.545 115.643 0.902 1
1 324 . 6 1 1 A 34 34 ILE H H 34 7.752 8.040 -0.288 1
1 325 . 6 1 1 A 34 34 ILE CA C 34 63.271 63.381 -0.110 1
1 326 . 6 1 1 A 34 34 ILE HA H 34 3.948 3.852 0.096 1
1 327 . 6 1 1 A 34 34 ILE CB C 34 37.597 37.397 0.200 1
1 340 . 6 1 1 A 34 34 ILE C C 34 177.960 177.862 0.098 1
1 341 . 6 1 1 A 35 35 HIS N N 35 117.514 120.454 -2.940 1
1 342 . 6 1 1 A 35 35 HIS H H 35 7.073 7.588 -0.515 1
1 343 . 6 1 1 A 35 35 HIS CA C 35 55.599 58.957 -3.358 1
1 344 . 6 1 1 A 35 35 HIS HA H 35 4.745 4.408 0.337 1
1 345 . 6 1 1 A 35 35 HIS CB C 35 28.499 30.620 -2.121 1
1 352 . 6 1 1 A 35 35 HIS C C 35 175.514 177.874 -2.360 1
1 353 . 6 1 1 A 36 36 ARG N N 36 118.480 116.855 1.625 1
1 354 . 6 1 1 A 36 36 ARG H H 36 7.543 7.810 -0.267 1
1 355 . 6 1 1 A 36 36 ARG CA C 36 56.414 58.854 -2.440 1
1 356 . 6 1 1 A 36 36 ARG HA H 36 4.409 4.039 0.370 1
1 357 . 6 1 1 A 36 36 ARG CB C 36 30.891 29.947 0.944 1
1 366 . 6 1 1 A 36 36 ARG C C 36 176.661 177.157 -0.496 1
1 367 . 6 1 1 A 37 37 GLY N N 37 108.655 108.585 0.070 1
1 368 . 6 1 1 A 37 37 GLY H H 37 8.122 8.240 -0.118 1
1 369 . 6 1 1 A 37 37 GLY CA C 37 45.393 45.027 0.366 1
1 370 . 6 1 1 A 37 37 GLY HA2 H 37 3.969 4.041 -0.072 1
1 371 . 6 1 1 A 37 37 GLY HA3 H 37 3.969 4.048 -0.079 1
1 372 . 6 1 1 A 37 37 GLY C C 37 174.101 173.209 0.892 1
1 373 . 6 1 1 A 38 38 GLU N N 38 120.249 121.116 -0.867 1
1 374 . 6 1 1 A 38 38 GLU H H 38 8.035 8.227 -0.192 1
1 375 . 6 1 1 A 38 38 GLU CA C 38 56.257 56.267 -0.010 1
1 376 . 6 1 1 A 38 38 GLU HA H 38 4.280 4.335 -0.055 1
1 377 . 6 1 1 A 38 38 GLU CB C 38 30.620 30.827 -0.207 1
1 383 . 6 1 1 A 38 38 GLU C C 38 176.208 175.984 0.224 1
1 384 . 6 1 1 A 39 39 LYS N N 39 123.351 123.532 -0.181 1
1 385 . 6 1 1 A 39 39 LYS H H 39 8.388 8.483 -0.095 1
1 386 . 6 1 1 A 39 39 LYS CA C 39 54.120 52.853 1.267 1
1 387 . 6 1 1 A 39 39 LYS HA H 39 4.601 4.850 -0.249 1
1 388 . 6 1 1 A 39 39 LYS CB C 39 32.529 34.912 -2.383 1
1 400 . 6 1 1 A 39 39 LYS C C 39 174.534 174.100 0.434 1
1 401 . 6 1 1 A 40 40 PRO CA C 40 63.272 62.695 0.577 1
1 402 . 6 1 1 A 40 40 PRO HA H 40 4.457 4.654 -0.197 1
1 403 . 6 1 1 A 40 40 PRO CB C 40 32.172 31.679 0.493 1
1 412 . 6 1 1 A 40 40 PRO C C 40 176.936 176.981 -0.045 1
1 413 . 6 1 1 A 41 41 SER N N 41 116.372 117.553 -1.181 1
1 414 . 6 1 1 A 41 41 SER H H 41 8.453 8.850 -0.397 1
1 415 . 6 1 1 A 41 41 SER CA C 41 58.319 61.696 -3.377 1
1 416 . 6 1 1 A 41 41 SER HA H 41 4.479 4.368 0.111 1
1 417 . 6 1 1 A 41 41 SER CB C 41 63.968 63.625 0.343 1
1 419 . 6 1 1 A 41 41 SER C C 41 174.592 175.633 -1.041 1
1 420 . 6 1 1 A 42 42 GLY CA C 42 44.667 45.413 -0.746 1
1 421 . 6 1 1 A 42 42 GLY HA2 H 42 4.124 4.359 -0.235 1
1 422 . 6 1 1 A 42 42 GLY HA3 H 42 4.124 4.359 -0.235 1
1 423 . 6 1 1 A 43 43 PRO CA C 43 63.273 62.842 0.431 1
1 424 . 6 1 1 A 43 43 PRO HA H 43 4.461 4.466 -0.005 1
1 425 . 6 1 1 A 43 43 PRO CB C 43 32.217 32.192 0.025 1
1 434 . 6 1 1 A 45 45 SER CA C 45 58.367 60.194 -1.827 1
1 435 . 6 1 1 A 45 45 SER HA H 45 4.466 4.151 0.315 1
1 436 . 6 1 1 A 45 45 SER CB C 45 63.999 63.417 0.582 1
1 439 . 6 1 1 A 45 45 SER C C 45 173.901 174.839 -0.938 1
1 1 . 7 1 1 A 6 6 SER CA C 6 58.528 60.233 -1.705 1
1 2 . 7 1 1 A 6 6 SER HA H 6 4.485 4.199 0.286 1
1 3 . 7 1 1 A 6 6 SER CB C 6 63.865 63.513 0.352 1
1 6 . 7 1 1 A 6 6 SER C C 6 175.149 174.225 0.924 1
1 7 . 7 1 1 A 7 7 GLY N N 7 110.926 113.679 -2.753 1
1 8 . 7 1 1 A 7 7 GLY H H 7 8.464 8.840 -0.376 1
1 9 . 7 1 1 A 7 7 GLY CA C 7 45.461 44.866 0.595 1
1 10 . 7 1 1 A 7 7 GLY HA2 H 7 4.019 4.195 -0.176 1
1 11 . 7 1 1 A 7 7 GLY HA3 H 7 4.019 4.199 -0.180 1
1 12 . 7 1 1 A 7 7 GLY C C 7 174.546 172.054 2.492 1
1 13 . 7 1 1 A 8 8 THR N N 8 112.839 119.829 -6.990 1
1 14 . 7 1 1 A 8 8 THR H H 8 8.154 9.103 -0.949 1
1 15 . 7 1 1 A 8 8 THR CA C 8 61.923 60.839 1.084 1
1 16 . 7 1 1 A 8 8 THR HA H 8 4.357 4.753 -0.396 1
1 17 . 7 1 1 A 8 8 THR CB C 8 69.768 72.896 -3.128 1
1 23 . 7 1 1 A 8 8 THR C C 8 175.302 173.632 1.670 1
1 24 . 7 1 1 A 9 9 GLY N N 9 111.223 113.129 -1.906 1
1 25 . 7 1 1 A 9 9 GLY H H 9 8.456 8.665 -0.209 1
1 26 . 7 1 1 A 9 9 GLY CA C 9 45.282 45.927 -0.645 1
1 27 . 7 1 1 A 9 9 GLY HA2 H 9 3.933 3.944 -0.011 1
1 28 . 7 1 1 A 9 9 GLY HA3 H 9 3.933 3.953 -0.020 1
1 29 . 7 1 1 A 9 9 GLY C C 9 173.949 175.040 -1.091 1
1 30 . 7 1 1 A 10 10 GLU N N 10 120.531 121.640 -1.109 1
1 31 . 7 1 1 A 10 10 GLU H H 10 8.215 8.487 -0.272 1
1 32 . 7 1 1 A 10 10 GLU CA C 10 56.445 56.904 -0.459 1
1 33 . 7 1 1 A 10 10 GLU HA H 10 4.223 4.497 -0.274 1
1 34 . 7 1 1 A 10 10 GLU CB C 10 30.431 31.843 -1.412 1
1 40 . 7 1 1 A 10 10 GLU C C 10 176.168 176.604 -0.436 1
1 41 . 7 1 1 A 11 11 ARG N N 11 122.264 121.332 0.932 1
1 42 . 7 1 1 A 11 11 ARG H H 11 8.353 7.585 0.768 1
1 43 . 7 1 1 A 11 11 ARG CA C 11 55.619 55.704 -0.085 1
1 44 . 7 1 1 A 11 11 ARG HA H 11 4.214 4.237 -0.023 1
1 45 . 7 1 1 A 11 11 ARG CB C 11 30.650 30.784 -0.134 1
1 54 . 7 1 1 A 11 11 ARG C C 11 174.908 176.115 -1.207 1
1 55 . 7 1 1 A 12 12 HIS N N 12 119.171 122.070 -2.899 1
1 56 . 7 1 1 A 12 12 HIS H H 12 7.945 8.285 -0.340 1
1 57 . 7 1 1 A 12 12 HIS CA C 12 55.289 55.694 -0.405 1
1 58 . 7 1 1 A 12 12 HIS HA H 12 4.649 4.405 0.244 1
1 59 . 7 1 1 A 12 12 HIS CB C 12 31.520 30.424 1.096 1
1 66 . 7 1 1 A 12 12 HIS C C 12 173.771 174.572 -0.801 1
1 67 . 7 1 1 A 13 13 TYR N N 13 121.025 121.543 -0.518 1
1 68 . 7 1 1 A 13 13 TYR H H 13 8.713 8.723 -0.010 1
1 69 . 7 1 1 A 13 13 TYR CA C 13 57.433 59.560 -2.127 1
1 70 . 7 1 1 A 13 13 TYR HA H 13 4.636 4.713 -0.077 1
1 71 . 7 1 1 A 13 13 TYR CB C 13 39.706 39.802 -0.096 1
1 82 . 7 1 1 A 13 13 TYR C C 13 174.850 176.365 -1.515 1
1 83 . 7 1 1 A 14 14 GLU N N 14 123.621 121.151 2.470 1
1 84 . 7 1 1 A 14 14 GLU H H 14 8.762 9.269 -0.507 1
1 85 . 7 1 1 A 14 14 GLU CA C 14 55.073 54.578 0.495 1
1 86 . 7 1 1 A 14 14 GLU HA H 14 4.949 5.398 -0.449 1
1 87 . 7 1 1 A 14 14 GLU CB C 14 32.760 33.368 -0.608 1
1 93 . 7 1 1 A 14 14 GLU C C 14 175.487 175.573 -0.086 1
1 94 . 7 1 1 A 15 15 CYS N N 15 126.353 124.553 1.800 1
1 95 . 7 1 1 A 15 15 CYS H H 15 9.253 9.128 0.125 1
1 96 . 7 1 1 A 15 15 CYS CA C 15 59.508 59.803 -0.295 1
1 97 . 7 1 1 A 15 15 CYS HA H 15 4.580 4.654 -0.074 1
1 98 . 7 1 1 A 15 15 CYS CB C 15 29.646 28.683 0.963 1
1 101 . 7 1 1 A 15 15 CYS C C 15 177.465 176.412 1.053 1
1 102 . 7 1 1 A 16 16 SER CA C 16 60.968 61.429 -0.461 1
1 103 . 7 1 1 A 16 16 SER HA H 16 4.291 4.197 0.094 1
1 104 . 7 1 1 A 16 16 SER CB C 16 63.017 63.265 -0.248 1
1 107 . 7 1 1 A 16 16 SER C C 16 174.550 176.867 -2.317 1
1 108 . 7 1 1 A 17 17 GLU N N 17 122.749 121.235 1.514 1
1 109 . 7 1 1 A 17 17 GLU H H 17 8.679 7.717 0.962 1
1 110 . 7 1 1 A 17 17 GLU CA C 17 58.170 58.787 -0.617 1
1 111 . 7 1 1 A 17 17 GLU HA H 17 4.252 3.917 0.335 1
1 112 . 7 1 1 A 17 17 GLU CB C 17 29.693 29.211 0.482 1
1 118 . 7 1 1 A 17 17 GLU C C 17 177.114 177.981 -0.867 1
1 119 . 7 1 1 A 18 18 CYS N N 18 114.770 114.873 -0.103 1
1 120 . 7 1 1 A 18 18 CYS H H 18 7.892 7.773 0.119 1
1 121 . 7 1 1 A 18 18 CYS CA C 18 58.423 59.667 -1.244 1
1 122 . 7 1 1 A 18 18 CYS HA H 18 5.160 4.563 0.597 1
1 123 . 7 1 1 A 18 18 CYS CB C 18 32.475 29.524 2.951 1
1 126 . 7 1 1 A 18 18 CYS C C 18 176.207 175.213 0.994 1
1 127 . 7 1 1 A 19 19 GLY N N 19 113.459 110.266 3.193 1
1 128 . 7 1 1 A 19 19 GLY H H 19 8.233 7.825 0.408 1
1 129 . 7 1 1 A 19 19 GLY CA C 19 46.185 45.038 1.147 1
1 130 . 7 1 1 A 19 19 GLY HA2 H 19 3.869 4.063 -0.194 1
1 131 . 7 1 1 A 19 19 GLY HA3 H 19 4.218 4.071 0.147 1
1 132 . 7 1 1 A 19 19 GLY C C 19 173.698 174.519 -0.821 1
1 133 . 7 1 1 A 20 20 LYS N N 20 122.669 120.256 2.413 1
1 134 . 7 1 1 A 20 20 LYS H H 20 7.913 7.220 0.693 1
1 135 . 7 1 1 A 20 20 LYS CA C 20 58.015 56.160 1.855 1
1 136 . 7 1 1 A 20 20 LYS HA H 20 3.946 4.160 -0.214 1
1 137 . 7 1 1 A 20 20 LYS CB C 20 33.818 33.860 -0.042 1
1 149 . 7 1 1 A 20 20 LYS C C 20 173.787 174.599 -0.812 1
1 150 . 7 1 1 A 21 21 ALA N N 21 123.558 120.407 3.151 1
1 151 . 7 1 1 A 21 21 ALA H H 21 7.862 7.677 0.185 1
1 152 . 7 1 1 A 21 21 ALA CA C 21 50.537 50.812 -0.275 1
1 153 . 7 1 1 A 21 21 ALA HA H 21 5.010 5.040 -0.030 1
1 154 . 7 1 1 A 21 21 ALA CB C 21 21.863 22.104 -0.241 1
1 158 . 7 1 1 A 21 21 ALA C C 21 176.488 174.747 1.741 1
1 159 . 7 1 1 A 22 22 PHE N N 22 117.848 118.691 -0.843 1
1 160 . 7 1 1 A 22 22 PHE H H 22 8.649 8.527 0.122 1
1 161 . 7 1 1 A 22 22 PHE CA C 22 57.125 56.541 0.584 1
1 162 . 7 1 1 A 22 22 PHE HA H 22 4.749 4.902 -0.153 1
1 163 . 7 1 1 A 22 22 PHE CB C 22 43.540 42.867 0.673 1
1 176 . 7 1 1 A 22 22 PHE C C 22 175.470 175.694 -0.224 1
1 177 . 7 1 1 A 23 23 ILE N N 23 118.637 124.804 -6.167 1
1 178 . 7 1 1 A 23 23 ILE H H 23 8.795 8.698 0.097 1
1 179 . 7 1 1 A 23 23 ILE CA C 23 62.569 64.052 -1.483 1
1 180 . 7 1 1 A 23 23 ILE HA H 23 4.413 4.165 0.248 1
1 181 . 7 1 1 A 23 23 ILE CB C 23 38.735 37.908 0.827 1
1 194 . 7 1 1 A 23 23 ILE C C 23 175.892 175.998 -0.106 1
1 195 . 7 1 1 A 24 24 GLN N N 24 115.722 121.261 -5.539 1
1 196 . 7 1 1 A 24 24 GLN H H 24 7.552 7.669 -0.117 1
1 197 . 7 1 1 A 24 24 GLN CA C 24 54.181 55.570 -1.389 1
1 198 . 7 1 1 A 24 24 GLN HA H 24 4.813 4.516 0.297 1
1 199 . 7 1 1 A 24 24 GLN CB C 24 31.481 29.203 2.278 1
1 208 . 7 1 1 A 24 24 GLN C C 24 175.651 176.152 -0.501 1
1 209 . 7 1 1 A 25 25 LYS N N 25 125.530 127.317 -1.787 1
1 210 . 7 1 1 A 25 25 LYS H H 25 8.527 8.982 -0.455 1
1 211 . 7 1 1 A 25 25 LYS CA C 25 59.400 59.683 -0.283 1
1 212 . 7 1 1 A 25 25 LYS HA H 25 3.168 3.442 -0.274 1
1 213 . 7 1 1 A 25 25 LYS CB C 25 31.725 31.617 0.108 1
1 225 . 7 1 1 A 25 25 LYS C C 25 178.710 177.744 0.966 1
1 226 . 7 1 1 A 26 26 SER CA C 26 60.794 61.368 -0.574 1
1 227 . 7 1 1 A 26 26 SER HA H 26 4.049 4.108 -0.059 1
1 228 . 7 1 1 A 26 26 SER CB C 26 61.478 62.991 -1.513 1
1 231 . 7 1 1 A 26 26 SER C C 26 177.149 177.445 -0.296 1
1 232 . 7 1 1 A 27 27 THR N N 27 118.548 118.020 0.528 1
1 233 . 7 1 1 A 27 27 THR H H 27 7.008 7.672 -0.664 1
1 234 . 7 1 1 A 27 27 THR CA C 27 65.197 66.513 -1.316 1
1 235 . 7 1 1 A 27 27 THR HA H 27 3.907 3.903 0.004 1
1 236 . 7 1 1 A 27 27 THR CB C 27 67.801 68.443 -0.642 1
1 242 . 7 1 1 A 27 27 THR C C 27 176.751 176.138 0.613 1
1 243 . 7 1 1 A 28 28 LEU N N 28 123.662 122.200 1.462 1
1 244 . 7 1 1 A 28 28 LEU H H 28 7.093 7.651 -0.558 1
1 245 . 7 1 1 A 28 28 LEU CA C 28 58.213 57.420 0.793 1
1 246 . 7 1 1 A 28 28 LEU HA H 28 3.176 3.523 -0.347 1
1 247 . 7 1 1 A 28 28 LEU CB C 28 39.863 41.766 -1.903 1
1 260 . 7 1 1 A 28 28 LEU C C 28 177.749 178.122 -0.373 1
1 261 . 7 1 1 A 29 29 SER N N 29 114.674 114.688 -0.014 1
1 262 . 7 1 1 A 29 29 SER H H 29 8.358 7.918 0.440 1
1 263 . 7 1 1 A 29 29 SER CA C 29 61.767 61.634 0.133 1
1 264 . 7 1 1 A 29 29 SER HA H 29 4.257 4.247 0.010 1
1 265 . 7 1 1 A 29 29 SER CB C 29 62.473 62.892 -0.419 1
1 268 . 7 1 1 A 29 29 SER C C 29 177.197 176.705 0.492 1
1 269 . 7 1 1 A 30 30 MET N N 30 119.515 119.585 -0.070 1
1 270 . 7 1 1 A 30 30 MET H H 30 7.554 8.350 -0.796 1
1 271 . 7 1 1 A 30 30 MET CA C 30 58.170 57.329 0.841 1
1 272 . 7 1 1 A 30 30 MET HA H 30 4.152 4.264 -0.112 1
1 273 . 7 1 1 A 30 30 MET CB C 30 31.955 32.488 -0.533 1
1 283 . 7 1 1 A 30 30 MET C C 30 178.556 178.268 0.288 1
1 284 . 7 1 1 A 31 31 HIS N N 31 120.563 120.431 0.132 1
1 285 . 7 1 1 A 31 31 HIS H H 31 7.889 8.159 -0.270 1
1 286 . 7 1 1 A 31 31 HIS CA C 31 59.232 58.712 0.520 1
1 287 . 7 1 1 A 31 31 HIS HA H 31 4.172 4.067 0.105 1
1 288 . 7 1 1 A 31 31 HIS CB C 31 28.113 29.934 -1.821 1
1 295 . 7 1 1 A 31 31 HIS C C 31 176.443 177.272 -0.829 1
1 296 . 7 1 1 A 32 32 GLN N N 32 115.497 117.755 -2.258 1
1 297 . 7 1 1 A 32 32 GLN H H 32 8.418 8.744 -0.326 1
1 298 . 7 1 1 A 32 32 GLN CA C 32 59.471 59.117 0.354 1
1 299 . 7 1 1 A 32 32 GLN HA H 32 3.685 3.976 -0.291 1
1 300 . 7 1 1 A 32 32 GLN CB C 32 28.425 28.327 0.098 1
1 309 . 7 1 1 A 32 32 GLN C C 32 177.567 178.474 -0.907 1
1 310 . 7 1 1 A 33 33 ARG N N 33 117.423 117.912 -0.489 1
1 311 . 7 1 1 A 33 33 ARG H H 33 7.210 8.131 -0.921 1
1 312 . 7 1 1 A 33 33 ARG CA C 33 59.089 58.706 0.383 1
1 313 . 7 1 1 A 33 33 ARG HA H 33 3.923 4.053 -0.130 1
1 314 . 7 1 1 A 33 33 ARG CB C 33 30.078 30.095 -0.017 1
1 322 . 7 1 1 A 33 33 ARG C C 33 178.760 177.735 1.025 1
1 323 . 7 1 1 A 34 34 ILE N N 34 116.545 115.812 0.733 1
1 324 . 7 1 1 A 34 34 ILE H H 34 7.752 7.703 0.049 1
1 325 . 7 1 1 A 34 34 ILE CA C 34 63.271 63.435 -0.164 1
1 326 . 7 1 1 A 34 34 ILE HA H 34 3.948 3.711 0.237 1
1 327 . 7 1 1 A 34 34 ILE CB C 34 37.597 37.274 0.323 1
1 340 . 7 1 1 A 34 34 ILE C C 34 177.960 176.848 1.112 1
1 341 . 7 1 1 A 35 35 HIS N N 35 117.514 119.222 -1.708 1
1 342 . 7 1 1 A 35 35 HIS H H 35 7.073 7.781 -0.708 1
1 343 . 7 1 1 A 35 35 HIS CA C 35 55.599 58.250 -2.651 1
1 344 . 7 1 1 A 35 35 HIS HA H 35 4.745 4.480 0.265 1
1 345 . 7 1 1 A 35 35 HIS CB C 35 28.499 31.244 -2.745 1
1 352 . 7 1 1 A 35 35 HIS C C 35 175.514 175.858 -0.344 1
1 353 . 7 1 1 A 36 36 ARG N N 36 118.480 118.340 0.140 1
1 354 . 7 1 1 A 36 36 ARG H H 36 7.543 7.551 -0.008 1
1 355 . 7 1 1 A 36 36 ARG CA C 36 56.414 55.463 0.951 1
1 356 . 7 1 1 A 36 36 ARG HA H 36 4.409 4.411 -0.002 1
1 357 . 7 1 1 A 36 36 ARG CB C 36 30.891 29.102 1.789 1
1 366 . 7 1 1 A 36 36 ARG C C 36 176.661 175.099 1.562 1
1 367 . 7 1 1 A 37 37 GLY N N 37 108.655 111.475 -2.820 1
1 368 . 7 1 1 A 37 37 GLY H H 37 8.122 8.155 -0.033 1
1 369 . 7 1 1 A 37 37 GLY CA C 37 45.393 44.111 1.282 1
1 370 . 7 1 1 A 37 37 GLY HA2 H 37 3.969 4.327 -0.358 1
1 371 . 7 1 1 A 37 37 GLY HA3 H 37 3.969 4.333 -0.364 1
1 372 . 7 1 1 A 37 37 GLY C C 37 174.101 175.369 -1.268 1
1 373 . 7 1 1 A 38 38 GLU N N 38 120.249 119.579 0.670 1
1 374 . 7 1 1 A 38 38 GLU H H 38 8.035 8.794 -0.759 1
1 375 . 7 1 1 A 38 38 GLU CA C 38 56.257 59.803 -3.546 1
1 376 . 7 1 1 A 38 38 GLU HA H 38 4.280 4.001 0.279 1
1 377 . 7 1 1 A 38 38 GLU CB C 38 30.620 29.456 1.164 1
1 383 . 7 1 1 A 38 38 GLU C C 38 176.208 175.758 0.450 1
1 384 . 7 1 1 A 39 39 LYS N N 39 123.351 116.877 6.474 1
1 385 . 7 1 1 A 39 39 LYS H H 39 8.388 7.849 0.539 1
1 386 . 7 1 1 A 39 39 LYS CA C 39 54.120 53.101 1.019 1
1 387 . 7 1 1 A 39 39 LYS HA H 39 4.601 4.760 -0.159 1
1 388 . 7 1 1 A 39 39 LYS CB C 39 32.529 34.928 -2.399 1
1 400 . 7 1 1 A 39 39 LYS C C 39 174.534 174.013 0.521 1
1 401 . 7 1 1 A 40 40 PRO CA C 40 63.272 62.424 0.848 1
1 402 . 7 1 1 A 40 40 PRO HA H 40 4.457 4.627 -0.170 1
1 403 . 7 1 1 A 40 40 PRO CB C 40 32.172 32.773 -0.601 1
1 412 . 7 1 1 A 40 40 PRO C C 40 176.936 175.336 1.600 1
1 413 . 7 1 1 A 41 41 SER N N 41 116.372 116.631 -0.259 1
1 414 . 7 1 1 A 41 41 SER H H 41 8.453 8.461 -0.008 1
1 415 . 7 1 1 A 41 41 SER CA C 41 58.319 57.819 0.500 1
1 416 . 7 1 1 A 41 41 SER HA H 41 4.479 4.947 -0.468 1
1 417 . 7 1 1 A 41 41 SER CB C 41 63.968 65.084 -1.116 1
1 419 . 7 1 1 A 41 41 SER C C 41 174.592 174.663 -0.071 1
1 420 . 7 1 1 A 42 42 GLY CA C 42 44.667 44.232 0.435 1
1 421 . 7 1 1 A 42 42 GLY HA2 H 42 4.124 4.066 0.058 1
1 422 . 7 1 1 A 42 42 GLY HA3 H 42 4.124 4.066 0.058 1
1 423 . 7 1 1 A 43 43 PRO CA C 43 63.273 62.800 0.473 1
1 424 . 7 1 1 A 43 43 PRO HA H 43 4.461 4.615 -0.154 1
1 425 . 7 1 1 A 43 43 PRO CB C 43 32.217 31.722 0.495 1
1 434 . 7 1 1 A 45 45 SER CA C 45 58.367 57.510 0.857 1
1 435 . 7 1 1 A 45 45 SER HA H 45 4.466 4.868 -0.402 1
1 436 . 7 1 1 A 45 45 SER CB C 45 63.999 63.380 0.619 1
1 439 . 7 1 1 A 45 45 SER C C 45 173.901 175.207 -1.306 1
1 1 . 8 1 1 A 6 6 SER CA C 6 58.528 57.614 0.914 1
1 2 . 8 1 1 A 6 6 SER HA H 6 4.485 5.058 -0.573 1
1 3 . 8 1 1 A 6 6 SER CB C 6 63.865 65.515 -1.650 1
1 6 . 8 1 1 A 6 6 SER C C 6 175.149 173.010 2.139 1
1 7 . 8 1 1 A 7 7 GLY N N 7 110.926 111.848 -0.922 1
1 8 . 8 1 1 A 7 7 GLY H H 7 8.464 8.495 -0.031 1
1 9 . 8 1 1 A 7 7 GLY CA C 7 45.461 44.919 0.542 1
1 10 . 8 1 1 A 7 7 GLY HA2 H 7 4.019 4.169 -0.150 1
1 11 . 8 1 1 A 7 7 GLY HA3 H 7 4.019 4.169 -0.150 1
1 12 . 8 1 1 A 7 7 GLY C C 7 174.546 172.627 1.919 1
1 13 . 8 1 1 A 8 8 THR N N 8 112.839 118.006 -5.167 1
1 14 . 8 1 1 A 8 8 THR H H 8 8.154 8.490 -0.336 1
1 15 . 8 1 1 A 8 8 THR CA C 8 61.923 62.198 -0.275 1
1 16 . 8 1 1 A 8 8 THR HA H 8 4.357 4.579 -0.222 1
1 17 . 8 1 1 A 8 8 THR CB C 8 69.768 69.506 0.262 1
1 23 . 8 1 1 A 8 8 THR C C 8 175.302 173.922 1.380 1
1 24 . 8 1 1 A 9 9 GLY N N 9 111.223 113.256 -2.033 1
1 25 . 8 1 1 A 9 9 GLY H H 9 8.456 8.415 0.041 1
1 26 . 8 1 1 A 9 9 GLY CA C 9 45.282 44.705 0.577 1
1 27 . 8 1 1 A 9 9 GLY HA2 H 9 3.933 4.007 -0.074 1
1 28 . 8 1 1 A 9 9 GLY HA3 H 9 3.933 4.015 -0.082 1
1 29 . 8 1 1 A 9 9 GLY C C 9 173.949 174.121 -0.172 1
1 30 . 8 1 1 A 10 10 GLU N N 10 120.531 122.842 -2.311 1
1 31 . 8 1 1 A 10 10 GLU H H 10 8.215 8.298 -0.083 1
1 32 . 8 1 1 A 10 10 GLU CA C 10 56.445 57.142 -0.697 1
1 33 . 8 1 1 A 10 10 GLU HA H 10 4.223 3.866 0.357 1
1 34 . 8 1 1 A 10 10 GLU CB C 10 30.431 28.466 1.965 1
1 40 . 8 1 1 A 10 10 GLU C C 10 176.168 176.430 -0.262 1
1 41 . 8 1 1 A 11 11 ARG N N 11 122.264 120.367 1.897 1
1 42 . 8 1 1 A 11 11 ARG H H 11 8.353 7.641 0.712 1
1 43 . 8 1 1 A 11 11 ARG CA C 11 55.619 57.669 -2.050 1
1 44 . 8 1 1 A 11 11 ARG HA H 11 4.214 4.124 0.090 1
1 45 . 8 1 1 A 11 11 ARG CB C 11 30.650 31.235 -0.585 1
1 54 . 8 1 1 A 11 11 ARG C C 11 174.908 175.742 -0.834 1
1 55 . 8 1 1 A 12 12 HIS N N 12 119.171 112.914 6.257 1
1 56 . 8 1 1 A 12 12 HIS H H 12 7.945 7.158 0.787 1
1 57 . 8 1 1 A 12 12 HIS CA C 12 55.289 53.457 1.832 1
1 58 . 8 1 1 A 12 12 HIS HA H 12 4.649 4.785 -0.136 1
1 59 . 8 1 1 A 12 12 HIS CB C 12 31.520 32.638 -1.118 1
1 66 . 8 1 1 A 12 12 HIS C C 12 173.771 174.401 -0.630 1
1 67 . 8 1 1 A 13 13 TYR N N 13 121.025 118.685 2.340 1
1 68 . 8 1 1 A 13 13 TYR H H 13 8.713 9.038 -0.325 1
1 69 . 8 1 1 A 13 13 TYR CA C 13 57.433 58.126 -0.693 1
1 70 . 8 1 1 A 13 13 TYR HA H 13 4.636 4.943 -0.307 1
1 71 . 8 1 1 A 13 13 TYR CB C 13 39.706 40.069 -0.363 1
1 82 . 8 1 1 A 13 13 TYR C C 13 174.850 175.909 -1.059 1
1 83 . 8 1 1 A 14 14 GLU N N 14 123.621 121.358 2.263 1
1 84 . 8 1 1 A 14 14 GLU H H 14 8.762 9.204 -0.442 1
1 85 . 8 1 1 A 14 14 GLU CA C 14 55.073 54.487 0.586 1
1 86 . 8 1 1 A 14 14 GLU HA H 14 4.949 5.442 -0.493 1
1 87 . 8 1 1 A 14 14 GLU CB C 14 32.760 33.761 -1.001 1
1 93 . 8 1 1 A 14 14 GLU C C 14 175.487 175.401 0.086 1
1 94 . 8 1 1 A 15 15 CYS N N 15 126.353 124.851 1.502 1
1 95 . 8 1 1 A 15 15 CYS H H 15 9.253 9.087 0.166 1
1 96 . 8 1 1 A 15 15 CYS CA C 15 59.508 59.382 0.126 1
1 97 . 8 1 1 A 15 15 CYS HA H 15 4.580 4.669 -0.089 1
1 98 . 8 1 1 A 15 15 CYS CB C 15 29.646 28.180 1.466 1
1 101 . 8 1 1 A 15 15 CYS C C 15 177.465 175.689 1.776 1
1 102 . 8 1 1 A 16 16 SER CA C 16 60.968 58.212 2.756 1
1 103 . 8 1 1 A 16 16 SER HA H 16 4.291 4.743 -0.452 1
1 104 . 8 1 1 A 16 16 SER CB C 16 63.017 63.002 0.015 1
1 107 . 8 1 1 A 16 16 SER C C 16 174.550 174.673 -0.123 1
1 108 . 8 1 1 A 17 17 GLU N N 17 122.749 119.987 2.762 1
1 109 . 8 1 1 A 17 17 GLU H H 17 8.679 7.965 0.714 1
1 110 . 8 1 1 A 17 17 GLU CA C 17 58.170 57.063 1.107 1
1 111 . 8 1 1 A 17 17 GLU HA H 17 4.252 4.410 -0.158 1
1 112 . 8 1 1 A 17 17 GLU CB C 17 29.693 31.762 -2.069 1
1 118 . 8 1 1 A 17 17 GLU C C 17 177.114 177.626 -0.512 1
1 119 . 8 1 1 A 18 18 CYS N N 18 114.770 115.197 -0.427 1
1 120 . 8 1 1 A 18 18 CYS H H 18 7.892 8.124 -0.232 1
1 121 . 8 1 1 A 18 18 CYS CA C 18 58.423 59.687 -1.264 1
1 122 . 8 1 1 A 18 18 CYS HA H 18 5.160 4.706 0.454 1
1 123 . 8 1 1 A 18 18 CYS CB C 18 32.475 29.972 2.503 1
1 126 . 8 1 1 A 18 18 CYS C C 18 176.207 175.468 0.739 1
1 127 . 8 1 1 A 19 19 GLY N N 19 113.459 109.697 3.762 1
1 128 . 8 1 1 A 19 19 GLY H H 19 8.233 8.066 0.167 1
1 129 . 8 1 1 A 19 19 GLY CA C 19 46.185 45.690 0.495 1
1 130 . 8 1 1 A 19 19 GLY HA2 H 19 3.869 4.065 -0.196 1
1 131 . 8 1 1 A 19 19 GLY HA3 H 19 4.218 4.070 0.148 1
1 132 . 8 1 1 A 19 19 GLY C C 19 173.698 173.940 -0.242 1
1 133 . 8 1 1 A 20 20 LYS N N 20 122.669 118.959 3.710 1
1 134 . 8 1 1 A 20 20 LYS H H 20 7.913 7.826 0.087 1
1 135 . 8 1 1 A 20 20 LYS CA C 20 58.015 54.063 3.952 1
1 136 . 8 1 1 A 20 20 LYS HA H 20 3.946 4.786 -0.840 1
1 137 . 8 1 1 A 20 20 LYS CB C 20 33.818 35.670 -1.852 1
1 149 . 8 1 1 A 20 20 LYS C C 20 173.787 174.829 -1.042 1
1 150 . 8 1 1 A 21 21 ALA N N 21 123.558 121.029 2.529 1
1 151 . 8 1 1 A 21 21 ALA H H 21 7.862 8.306 -0.444 1
1 152 . 8 1 1 A 21 21 ALA CA C 21 50.537 50.653 -0.116 1
1 153 . 8 1 1 A 21 21 ALA HA H 21 5.010 5.324 -0.314 1
1 154 . 8 1 1 A 21 21 ALA CB C 21 21.863 22.354 -0.491 1
1 158 . 8 1 1 A 21 21 ALA C C 21 176.488 174.981 1.507 1
1 159 . 8 1 1 A 22 22 PHE N N 22 117.848 117.951 -0.103 1
1 160 . 8 1 1 A 22 22 PHE H H 22 8.649 8.819 -0.170 1
1 161 . 8 1 1 A 22 22 PHE CA C 22 57.125 56.520 0.605 1
1 162 . 8 1 1 A 22 22 PHE HA H 22 4.749 4.894 -0.145 1
1 163 . 8 1 1 A 22 22 PHE CB C 22 43.540 42.539 1.001 1
1 176 . 8 1 1 A 22 22 PHE C C 22 175.470 175.900 -0.430 1
1 177 . 8 1 1 A 23 23 ILE N N 23 118.637 124.479 -5.842 1
1 178 . 8 1 1 A 23 23 ILE H H 23 8.795 8.688 0.107 1
1 179 . 8 1 1 A 23 23 ILE CA C 23 62.569 63.806 -1.237 1
1 180 . 8 1 1 A 23 23 ILE HA H 23 4.413 4.144 0.269 1
1 181 . 8 1 1 A 23 23 ILE CB C 23 38.735 38.310 0.425 1
1 194 . 8 1 1 A 23 23 ILE C C 23 175.892 175.551 0.341 1
1 195 . 8 1 1 A 24 24 GLN N N 24 115.722 120.144 -4.422 1
1 196 . 8 1 1 A 24 24 GLN H H 24 7.552 7.912 -0.360 1
1 197 . 8 1 1 A 24 24 GLN CA C 24 54.181 54.882 -0.701 1
1 198 . 8 1 1 A 24 24 GLN HA H 24 4.813 4.625 0.188 1
1 199 . 8 1 1 A 24 24 GLN CB C 24 31.481 30.748 0.733 1
1 208 . 8 1 1 A 24 24 GLN C C 24 175.651 175.802 -0.151 1
1 209 . 8 1 1 A 25 25 LYS N N 25 125.530 124.813 0.717 1
1 210 . 8 1 1 A 25 25 LYS H H 25 8.527 8.600 -0.073 1
1 211 . 8 1 1 A 25 25 LYS CA C 25 59.400 59.449 -0.049 1
1 212 . 8 1 1 A 25 25 LYS HA H 25 3.168 3.127 0.041 1
1 213 . 8 1 1 A 25 25 LYS CB C 25 31.725 31.824 -0.099 1
1 225 . 8 1 1 A 25 25 LYS C C 25 178.710 177.860 0.850 1
1 226 . 8 1 1 A 26 26 SER CA C 26 60.794 61.594 -0.800 1
1 227 . 8 1 1 A 26 26 SER HA H 26 4.049 4.119 -0.070 1
1 228 . 8 1 1 A 26 26 SER CB C 26 61.478 62.391 -0.913 1
1 231 . 8 1 1 A 26 26 SER C C 26 177.149 177.287 -0.138 1
1 232 . 8 1 1 A 27 27 THR N N 27 118.548 116.670 1.878 1
1 233 . 8 1 1 A 27 27 THR H H 27 7.008 7.802 -0.794 1
1 234 . 8 1 1 A 27 27 THR CA C 27 65.197 66.715 -1.518 1
1 235 . 8 1 1 A 27 27 THR HA H 27 3.907 3.855 0.052 1
1 236 . 8 1 1 A 27 27 THR CB C 27 67.801 68.159 -0.358 1
1 242 . 8 1 1 A 27 27 THR C C 27 176.751 175.849 0.902 1
1 243 . 8 1 1 A 28 28 LEU N N 28 123.662 121.617 2.045 1
1 244 . 8 1 1 A 28 28 LEU H H 28 7.093 7.899 -0.806 1
1 245 . 8 1 1 A 28 28 LEU CA C 28 58.213 57.563 0.650 1
1 246 . 8 1 1 A 28 28 LEU HA H 28 3.176 2.970 0.206 1
1 247 . 8 1 1 A 28 28 LEU CB C 28 39.863 41.298 -1.435 1
1 260 . 8 1 1 A 28 28 LEU C C 28 177.749 178.487 -0.738 1
1 261 . 8 1 1 A 29 29 SER N N 29 114.674 116.163 -1.489 1
1 262 . 8 1 1 A 29 29 SER H H 29 8.358 7.562 0.796 1
1 263 . 8 1 1 A 29 29 SER CA C 29 61.767 61.979 -0.212 1
1 264 . 8 1 1 A 29 29 SER HA H 29 4.257 3.994 0.263 1
1 265 . 8 1 1 A 29 29 SER CB C 29 62.473 62.704 -0.231 1
1 268 . 8 1 1 A 29 29 SER C C 29 177.197 176.857 0.340 1
1 269 . 8 1 1 A 30 30 MET N N 30 119.515 119.160 0.355 1
1 270 . 8 1 1 A 30 30 MET H H 30 7.554 7.884 -0.330 1
1 271 . 8 1 1 A 30 30 MET CA C 30 58.170 57.859 0.311 1
1 272 . 8 1 1 A 30 30 MET HA H 30 4.152 4.165 -0.013 1
1 273 . 8 1 1 A 30 30 MET CB C 30 31.955 31.679 0.276 1
1 283 . 8 1 1 A 30 30 MET C C 30 178.556 178.184 0.372 1
1 284 . 8 1 1 A 31 31 HIS N N 31 120.563 120.287 0.276 1
1 285 . 8 1 1 A 31 31 HIS H H 31 7.889 8.245 -0.356 1
1 286 . 8 1 1 A 31 31 HIS CA C 31 59.232 58.906 0.326 1
1 287 . 8 1 1 A 31 31 HIS HA H 31 4.172 4.150 0.022 1
1 288 . 8 1 1 A 31 31 HIS CB C 31 28.113 30.067 -1.954 1
1 295 . 8 1 1 A 31 31 HIS C C 31 176.443 177.073 -0.630 1
1 296 . 8 1 1 A 32 32 GLN N N 32 115.497 117.692 -2.195 1
1 297 . 8 1 1 A 32 32 GLN H H 32 8.418 8.421 -0.003 1
1 298 . 8 1 1 A 32 32 GLN CA C 32 59.471 59.314 0.157 1
1 299 . 8 1 1 A 32 32 GLN HA H 32 3.685 4.038 -0.353 1
1 300 . 8 1 1 A 32 32 GLN CB C 32 28.425 28.340 0.085 1
1 309 . 8 1 1 A 32 32 GLN C C 32 177.567 178.025 -0.458 1
1 310 . 8 1 1 A 33 33 ARG N N 33 117.423 117.730 -0.307 1
1 311 . 8 1 1 A 33 33 ARG H H 33 7.210 7.700 -0.490 1
1 312 . 8 1 1 A 33 33 ARG CA C 33 59.089 58.827 0.262 1
1 313 . 8 1 1 A 33 33 ARG HA H 33 3.923 4.058 -0.135 1
1 314 . 8 1 1 A 33 33 ARG CB C 33 30.078 30.173 -0.095 1
1 322 . 8 1 1 A 33 33 ARG C C 33 178.760 177.800 0.960 1
1 323 . 8 1 1 A 34 34 ILE N N 34 116.545 115.914 0.631 1
1 324 . 8 1 1 A 34 34 ILE H H 34 7.752 7.984 -0.232 1
1 325 . 8 1 1 A 34 34 ILE CA C 34 63.271 63.763 -0.492 1
1 326 . 8 1 1 A 34 34 ILE HA H 34 3.948 3.725 0.223 1
1 327 . 8 1 1 A 34 34 ILE CB C 34 37.597 37.243 0.354 1
1 340 . 8 1 1 A 34 34 ILE C C 34 177.960 177.066 0.894 1
1 341 . 8 1 1 A 35 35 HIS N N 35 117.514 119.208 -1.694 1
1 342 . 8 1 1 A 35 35 HIS H H 35 7.073 7.742 -0.669 1
1 343 . 8 1 1 A 35 35 HIS CA C 35 55.599 58.453 -2.854 1
1 344 . 8 1 1 A 35 35 HIS HA H 35 4.745 4.430 0.315 1
1 345 . 8 1 1 A 35 35 HIS CB C 35 28.499 30.981 -2.482 1
1 352 . 8 1 1 A 35 35 HIS C C 35 175.514 175.782 -0.268 1
1 353 . 8 1 1 A 36 36 ARG N N 36 118.480 118.421 0.059 1
1 354 . 8 1 1 A 36 36 ARG H H 36 7.543 7.929 -0.386 1
1 355 . 8 1 1 A 36 36 ARG CA C 36 56.414 56.237 0.177 1
1 356 . 8 1 1 A 36 36 ARG HA H 36 4.409 4.203 0.206 1
1 357 . 8 1 1 A 36 36 ARG CB C 36 30.891 30.804 0.087 1
1 366 . 8 1 1 A 36 36 ARG C C 36 176.661 176.373 0.288 1
1 367 . 8 1 1 A 37 37 GLY N N 37 108.655 112.245 -3.590 1
1 368 . 8 1 1 A 37 37 GLY H H 37 8.122 8.660 -0.538 1
1 369 . 8 1 1 A 37 37 GLY CA C 37 45.393 45.371 0.022 1
1 370 . 8 1 1 A 37 37 GLY HA2 H 37 3.969 4.109 -0.140 1
1 371 . 8 1 1 A 37 37 GLY HA3 H 37 3.969 4.114 -0.145 1
1 372 . 8 1 1 A 37 37 GLY C C 37 174.101 174.185 -0.084 1
1 373 . 8 1 1 A 38 38 GLU N N 38 120.249 119.766 0.483 1
1 374 . 8 1 1 A 38 38 GLU H H 38 8.035 8.817 -0.782 1
1 375 . 8 1 1 A 38 38 GLU CA C 38 56.257 56.928 -0.671 1
1 376 . 8 1 1 A 38 38 GLU HA H 38 4.280 4.615 -0.335 1
1 377 . 8 1 1 A 38 38 GLU CB C 38 30.620 32.373 -1.753 1
1 383 . 8 1 1 A 38 38 GLU C C 38 176.208 176.600 -0.392 1
1 384 . 8 1 1 A 39 39 LYS N N 39 123.351 119.148 4.203 1
1 385 . 8 1 1 A 39 39 LYS H H 39 8.388 7.501 0.887 1
1 386 . 8 1 1 A 39 39 LYS CA C 39 54.120 54.916 -0.796 1
1 387 . 8 1 1 A 39 39 LYS HA H 39 4.601 4.428 0.173 1
1 388 . 8 1 1 A 39 39 LYS CB C 39 32.529 31.751 0.778 1
1 400 . 8 1 1 A 39 39 LYS C C 39 174.534 176.225 -1.691 1
1 401 . 8 1 1 A 40 40 PRO CA C 40 63.272 63.903 -0.631 1
1 402 . 8 1 1 A 40 40 PRO HA H 40 4.457 4.484 -0.027 1
1 403 . 8 1 1 A 40 40 PRO CB C 40 32.172 31.773 0.399 1
1 412 . 8 1 1 A 40 40 PRO C C 40 176.936 176.267 0.669 1
1 413 . 8 1 1 A 41 41 SER N N 41 116.372 115.784 0.588 1
1 414 . 8 1 1 A 41 41 SER H H 41 8.453 7.983 0.470 1
1 415 . 8 1 1 A 41 41 SER CA C 41 58.319 58.109 0.210 1
1 416 . 8 1 1 A 41 41 SER HA H 41 4.479 4.771 -0.292 1
1 417 . 8 1 1 A 41 41 SER CB C 41 63.968 64.800 -0.832 1
1 419 . 8 1 1 A 41 41 SER C C 41 174.592 174.509 0.083 1
1 420 . 8 1 1 A 42 42 GLY CA C 42 44.667 45.748 -1.081 1
1 421 . 8 1 1 A 42 42 GLY HA2 H 42 4.124 4.095 0.029 1
1 422 . 8 1 1 A 42 42 GLY HA3 H 42 4.124 4.095 0.029 1
1 423 . 8 1 1 A 43 43 PRO CA C 43 63.273 62.548 0.725 1
1 424 . 8 1 1 A 43 43 PRO HA H 43 4.461 4.581 -0.120 1
1 425 . 8 1 1 A 43 43 PRO CB C 43 32.217 33.064 -0.847 1
1 434 . 8 1 1 A 45 45 SER CA C 45 58.367 60.590 -2.223 1
1 435 . 8 1 1 A 45 45 SER HA H 45 4.466 4.331 0.135 1
1 436 . 8 1 1 A 45 45 SER CB C 45 63.999 63.571 0.428 1
1 439 . 8 1 1 A 45 45 SER C C 45 173.901 175.174 -1.273 1
1 1 . 9 1 1 A 6 6 SER CA C 6 58.528 56.521 2.007 1
1 2 . 9 1 1 A 6 6 SER HA H 6 4.485 4.887 -0.402 1
1 3 . 9 1 1 A 6 6 SER CB C 6 63.865 66.023 -2.158 1
1 6 . 9 1 1 A 6 6 SER C C 6 175.149 174.116 1.033 1
1 7 . 9 1 1 A 7 7 GLY N N 7 110.926 109.720 1.206 1
1 8 . 9 1 1 A 7 7 GLY H H 7 8.464 8.493 -0.029 1
1 9 . 9 1 1 A 7 7 GLY CA C 7 45.461 44.652 0.809 1
1 10 . 9 1 1 A 7 7 GLY HA2 H 7 4.019 4.084 -0.065 1
1 11 . 9 1 1 A 7 7 GLY HA3 H 7 4.019 4.088 -0.069 1
1 12 . 9 1 1 A 7 7 GLY C C 7 174.546 174.310 0.236 1
1 13 . 9 1 1 A 8 8 THR N N 8 112.839 117.845 -5.006 1
1 14 . 9 1 1 A 8 8 THR H H 8 8.154 8.601 -0.447 1
1 15 . 9 1 1 A 8 8 THR CA C 8 61.923 62.979 -1.056 1
1 16 . 9 1 1 A 8 8 THR HA H 8 4.357 4.050 0.307 1
1 17 . 9 1 1 A 8 8 THR CB C 8 69.768 66.800 2.968 1
1 23 . 9 1 1 A 8 8 THR C C 8 175.302 173.997 1.305 1
1 24 . 9 1 1 A 9 9 GLY N N 9 111.223 110.399 0.824 1
1 25 . 9 1 1 A 9 9 GLY H H 9 8.456 8.148 0.308 1
1 26 . 9 1 1 A 9 9 GLY CA C 9 45.282 44.456 0.826 1
1 27 . 9 1 1 A 9 9 GLY HA2 H 9 3.933 4.020 -0.087 1
1 28 . 9 1 1 A 9 9 GLY HA3 H 9 3.933 4.036 -0.103 1
1 29 . 9 1 1 A 9 9 GLY C C 9 173.949 172.160 1.789 1
1 30 . 9 1 1 A 10 10 GLU N N 10 120.531 121.212 -0.681 1
1 31 . 9 1 1 A 10 10 GLU H H 10 8.215 8.360 -0.145 1
1 32 . 9 1 1 A 10 10 GLU CA C 10 56.445 54.778 1.667 1
1 33 . 9 1 1 A 10 10 GLU HA H 10 4.223 4.892 -0.669 1
1 34 . 9 1 1 A 10 10 GLU CB C 10 30.431 32.538 -2.107 1
1 40 . 9 1 1 A 10 10 GLU C C 10 176.168 175.645 0.523 1
1 41 . 9 1 1 A 11 11 ARG N N 11 122.264 124.607 -2.343 1
1 42 . 9 1 1 A 11 11 ARG H H 11 8.353 8.272 0.081 1
1 43 . 9 1 1 A 11 11 ARG CA C 11 55.619 55.726 -0.107 1
1 44 . 9 1 1 A 11 11 ARG HA H 11 4.214 4.142 0.072 1
1 45 . 9 1 1 A 11 11 ARG CB C 11 30.650 30.669 -0.019 1
1 54 . 9 1 1 A 11 11 ARG C C 11 174.908 175.417 -0.509 1
1 55 . 9 1 1 A 12 12 HIS N N 12 119.171 115.446 3.725 1
1 56 . 9 1 1 A 12 12 HIS H H 12 7.945 8.444 -0.499 1
1 57 . 9 1 1 A 12 12 HIS CA C 12 55.289 54.751 0.538 1
1 58 . 9 1 1 A 12 12 HIS HA H 12 4.649 4.914 -0.265 1
1 59 . 9 1 1 A 12 12 HIS CB C 12 31.520 31.209 0.311 1
1 66 . 9 1 1 A 12 12 HIS C C 12 173.771 171.321 2.450 1
1 67 . 9 1 1 A 13 13 TYR N N 13 121.025 118.737 2.288 1
1 68 . 9 1 1 A 13 13 TYR H H 13 8.713 8.587 0.126 1
1 69 . 9 1 1 A 13 13 TYR CA C 13 57.433 56.782 0.651 1
1 70 . 9 1 1 A 13 13 TYR HA H 13 4.636 5.221 -0.585 1
1 71 . 9 1 1 A 13 13 TYR CB C 13 39.706 39.110 0.596 1
1 82 . 9 1 1 A 13 13 TYR C C 13 174.850 174.850 0.000 1
1 83 . 9 1 1 A 14 14 GLU N N 14 123.621 125.787 -2.166 1
1 84 . 9 1 1 A 14 14 GLU H H 14 8.762 8.969 -0.207 1
1 85 . 9 1 1 A 14 14 GLU CA C 14 55.073 55.006 0.067 1
1 86 . 9 1 1 A 14 14 GLU HA H 14 4.949 5.226 -0.277 1
1 87 . 9 1 1 A 14 14 GLU CB C 14 32.760 31.851 0.909 1
1 93 . 9 1 1 A 14 14 GLU C C 14 175.487 176.512 -1.025 1
1 94 . 9 1 1 A 15 15 CYS N N 15 126.353 125.815 0.538 1
1 95 . 9 1 1 A 15 15 CYS H H 15 9.253 9.189 0.064 1
1 96 . 9 1 1 A 15 15 CYS CA C 15 59.508 60.190 -0.682 1
1 97 . 9 1 1 A 15 15 CYS HA H 15 4.580 4.541 0.039 1
1 98 . 9 1 1 A 15 15 CYS CB C 15 29.646 28.938 0.708 1
1 101 . 9 1 1 A 15 15 CYS C C 15 177.465 176.215 1.250 1
1 102 . 9 1 1 A 16 16 SER CA C 16 60.968 58.148 2.820 1
1 103 . 9 1 1 A 16 16 SER HA H 16 4.291 4.614 -0.323 1
1 104 . 9 1 1 A 16 16 SER CB C 16 63.017 62.733 0.284 1
1 107 . 9 1 1 A 16 16 SER C C 16 174.550 175.194 -0.644 1
1 108 . 9 1 1 A 17 17 GLU N N 17 122.749 121.806 0.943 1
1 109 . 9 1 1 A 17 17 GLU H H 17 8.679 8.064 0.615 1
1 110 . 9 1 1 A 17 17 GLU CA C 17 58.170 57.184 0.986 1
1 111 . 9 1 1 A 17 17 GLU HA H 17 4.252 4.385 -0.133 1
1 112 . 9 1 1 A 17 17 GLU CB C 17 29.693 31.699 -2.006 1
1 118 . 9 1 1 A 17 17 GLU C C 17 177.114 177.723 -0.609 1
1 119 . 9 1 1 A 18 18 CYS N N 18 114.770 115.208 -0.438 1
1 120 . 9 1 1 A 18 18 CYS H H 18 7.892 8.158 -0.266 1
1 121 . 9 1 1 A 18 18 CYS CA C 18 58.423 59.688 -1.265 1
1 122 . 9 1 1 A 18 18 CYS HA H 18 5.160 4.694 0.466 1
1 123 . 9 1 1 A 18 18 CYS CB C 18 32.475 29.980 2.495 1
1 126 . 9 1 1 A 18 18 CYS C C 18 176.207 175.426 0.781 1
1 127 . 9 1 1 A 19 19 GLY N N 19 113.459 109.583 3.876 1
1 128 . 9 1 1 A 19 19 GLY H H 19 8.233 8.209 0.024 1
1 129 . 9 1 1 A 19 19 GLY CA C 19 46.185 45.688 0.497 1
1 130 . 9 1 1 A 19 19 GLY HA2 H 19 3.869 4.046 -0.177 1
1 131 . 9 1 1 A 19 19 GLY HA3 H 19 4.218 4.051 0.167 1
1 132 . 9 1 1 A 19 19 GLY C C 19 173.698 173.799 -0.101 1
1 133 . 9 1 1 A 20 20 LYS N N 20 122.669 120.030 2.639 1
1 134 . 9 1 1 A 20 20 LYS H H 20 7.913 7.684 0.229 1
1 135 . 9 1 1 A 20 20 LYS CA C 20 58.015 54.614 3.401 1
1 136 . 9 1 1 A 20 20 LYS HA H 20 3.946 4.642 -0.696 1
1 137 . 9 1 1 A 20 20 LYS CB C 20 33.818 35.204 -1.386 1
1 149 . 9 1 1 A 20 20 LYS C C 20 173.787 174.776 -0.989 1
1 150 . 9 1 1 A 21 21 ALA N N 21 123.558 127.806 -4.248 1
1 151 . 9 1 1 A 21 21 ALA H H 21 7.862 8.570 -0.708 1
1 152 . 9 1 1 A 21 21 ALA CA C 21 50.537 50.908 -0.371 1
1 153 . 9 1 1 A 21 21 ALA HA H 21 5.010 4.872 0.138 1
1 154 . 9 1 1 A 21 21 ALA CB C 21 21.863 20.552 1.311 1
1 158 . 9 1 1 A 21 21 ALA C C 21 176.488 176.323 0.165 1
1 159 . 9 1 1 A 22 22 PHE N N 22 117.848 117.277 0.571 1
1 160 . 9 1 1 A 22 22 PHE H H 22 8.649 8.324 0.325 1
1 161 . 9 1 1 A 22 22 PHE CA C 22 57.125 56.520 0.605 1
1 162 . 9 1 1 A 22 22 PHE HA H 22 4.749 4.885 -0.136 1
1 163 . 9 1 1 A 22 22 PHE CB C 22 43.540 42.133 1.407 1
1 176 . 9 1 1 A 22 22 PHE C C 22 175.470 175.910 -0.440 1
1 177 . 9 1 1 A 23 23 ILE N N 23 118.637 125.100 -6.463 1
1 178 . 9 1 1 A 23 23 ILE H H 23 8.795 8.721 0.074 1
1 179 . 9 1 1 A 23 23 ILE CA C 23 62.569 64.016 -1.447 1
1 180 . 9 1 1 A 23 23 ILE HA H 23 4.413 4.088 0.325 1
1 181 . 9 1 1 A 23 23 ILE CB C 23 38.735 38.669 0.066 1
1 194 . 9 1 1 A 23 23 ILE C C 23 175.892 175.368 0.524 1
1 195 . 9 1 1 A 24 24 GLN N N 24 115.722 118.710 -2.988 1
1 196 . 9 1 1 A 24 24 GLN H H 24 7.552 7.857 -0.305 1
1 197 . 9 1 1 A 24 24 GLN CA C 24 54.181 54.406 -0.225 1
1 198 . 9 1 1 A 24 24 GLN HA H 24 4.813 4.882 -0.069 1
1 199 . 9 1 1 A 24 24 GLN CB C 24 31.481 31.592 -0.111 1
1 208 . 9 1 1 A 24 24 GLN C C 24 175.651 176.008 -0.357 1
1 209 . 9 1 1 A 25 25 LYS N N 25 125.530 123.751 1.779 1
1 210 . 9 1 1 A 25 25 LYS H H 25 8.527 8.518 0.009 1
1 211 . 9 1 1 A 25 25 LYS CA C 25 59.400 58.689 0.711 1
1 212 . 9 1 1 A 25 25 LYS HA H 25 3.168 3.158 0.010 1
1 213 . 9 1 1 A 25 25 LYS CB C 25 31.725 31.606 0.119 1
1 225 . 9 1 1 A 25 25 LYS C C 25 178.710 177.506 1.204 1
1 226 . 9 1 1 A 26 26 SER CA C 26 60.794 61.386 -0.592 1
1 227 . 9 1 1 A 26 26 SER HA H 26 4.049 4.037 0.012 1
1 228 . 9 1 1 A 26 26 SER CB C 26 61.478 62.985 -1.507 1
1 231 . 9 1 1 A 26 26 SER C C 26 177.149 177.299 -0.150 1
1 232 . 9 1 1 A 27 27 THR N N 27 118.548 117.726 0.822 1
1 233 . 9 1 1 A 27 27 THR H H 27 7.008 7.852 -0.844 1
1 234 . 9 1 1 A 27 27 THR CA C 27 65.197 66.965 -1.768 1
1 235 . 9 1 1 A 27 27 THR HA H 27 3.907 3.881 0.026 1
1 236 . 9 1 1 A 27 27 THR CB C 27 67.801 68.467 -0.666 1
1 242 . 9 1 1 A 27 27 THR C C 27 176.751 175.961 0.790 1
1 243 . 9 1 1 A 28 28 LEU N N 28 123.662 121.675 1.987 1
1 244 . 9 1 1 A 28 28 LEU H H 28 7.093 7.668 -0.575 1
1 245 . 9 1 1 A 28 28 LEU CA C 28 58.213 57.457 0.756 1
1 246 . 9 1 1 A 28 28 LEU HA H 28 3.176 2.801 0.375 1
1 247 . 9 1 1 A 28 28 LEU CB C 28 39.863 41.120 -1.257 1
1 260 . 9 1 1 A 28 28 LEU C C 28 177.749 178.357 -0.608 1
1 261 . 9 1 1 A 29 29 SER N N 29 114.674 115.880 -1.206 1
1 262 . 9 1 1 A 29 29 SER H H 29 8.358 7.563 0.795 1
1 263 . 9 1 1 A 29 29 SER CA C 29 61.767 62.135 -0.368 1
1 264 . 9 1 1 A 29 29 SER HA H 29 4.257 4.073 0.184 1
1 265 . 9 1 1 A 29 29 SER CB C 29 62.473 62.789 -0.316 1
1 268 . 9 1 1 A 29 29 SER C C 29 177.197 176.832 0.365 1
1 269 . 9 1 1 A 30 30 MET N N 30 119.515 119.673 -0.158 1
1 270 . 9 1 1 A 30 30 MET H H 30 7.554 7.801 -0.247 1
1 271 . 9 1 1 A 30 30 MET CA C 30 58.170 58.061 0.109 1
1 272 . 9 1 1 A 30 30 MET HA H 30 4.152 4.112 0.040 1
1 273 . 9 1 1 A 30 30 MET CB C 30 31.955 31.852 0.103 1
1 283 . 9 1 1 A 30 30 MET C C 30 178.556 178.462 0.094 1
1 284 . 9 1 1 A 31 31 HIS N N 31 120.563 120.320 0.243 1
1 285 . 9 1 1 A 31 31 HIS H H 31 7.889 7.880 0.009 1
1 286 . 9 1 1 A 31 31 HIS CA C 31 59.232 59.161 0.071 1
1 287 . 9 1 1 A 31 31 HIS HA H 31 4.172 4.170 0.002 1
1 288 . 9 1 1 A 31 31 HIS CB C 31 28.113 29.882 -1.769 1
1 295 . 9 1 1 A 31 31 HIS C C 31 176.443 177.289 -0.846 1
1 296 . 9 1 1 A 32 32 GLN N N 32 115.497 117.284 -1.787 1
1 297 . 9 1 1 A 32 32 GLN H H 32 8.418 8.590 -0.172 1
1 298 . 9 1 1 A 32 32 GLN CA C 32 59.471 59.256 0.215 1
1 299 . 9 1 1 A 32 32 GLN HA H 32 3.685 3.936 -0.251 1
1 300 . 9 1 1 A 32 32 GLN CB C 32 28.425 28.406 0.019 1
1 309 . 9 1 1 A 32 32 GLN C C 32 177.567 178.338 -0.771 1
1 310 . 9 1 1 A 33 33 ARG N N 33 117.423 117.902 -0.479 1
1 311 . 9 1 1 A 33 33 ARG H H 33 7.210 8.119 -0.909 1
1 312 . 9 1 1 A 33 33 ARG CA C 33 59.089 58.698 0.391 1
1 313 . 9 1 1 A 33 33 ARG HA H 33 3.923 4.060 -0.137 1
1 314 . 9 1 1 A 33 33 ARG CB C 33 30.078 30.040 0.038 1
1 322 . 9 1 1 A 33 33 ARG C C 33 178.760 177.772 0.988 1
1 323 . 9 1 1 A 34 34 ILE N N 34 116.545 115.832 0.713 1
1 324 . 9 1 1 A 34 34 ILE H H 34 7.752 7.907 -0.155 1
1 325 . 9 1 1 A 34 34 ILE CA C 34 63.271 63.760 -0.489 1
1 326 . 9 1 1 A 34 34 ILE HA H 34 3.948 3.705 0.243 1
1 327 . 9 1 1 A 34 34 ILE CB C 34 37.597 37.097 0.500 1
1 340 . 9 1 1 A 34 34 ILE C C 34 177.960 177.634 0.326 1
1 341 . 9 1 1 A 35 35 HIS N N 35 117.514 119.488 -1.974 1
1 342 . 9 1 1 A 35 35 HIS H H 35 7.073 7.850 -0.777 1
1 343 . 9 1 1 A 35 35 HIS CA C 35 55.599 58.907 -3.308 1
1 344 . 9 1 1 A 35 35 HIS HA H 35 4.745 4.385 0.360 1
1 345 . 9 1 1 A 35 35 HIS CB C 35 28.499 31.090 -2.591 1
1 352 . 9 1 1 A 35 35 HIS C C 35 175.514 175.659 -0.145 1
1 353 . 9 1 1 A 36 36 ARG N N 36 118.480 116.287 2.193 1
1 354 . 9 1 1 A 36 36 ARG H H 36 7.543 7.605 -0.062 1
1 355 . 9 1 1 A 36 36 ARG CA C 36 56.414 55.393 1.021 1
1 356 . 9 1 1 A 36 36 ARG HA H 36 4.409 4.588 -0.179 1
1 357 . 9 1 1 A 36 36 ARG CB C 36 30.891 31.082 -0.191 1
1 366 . 9 1 1 A 36 36 ARG C C 36 176.661 174.906 1.755 1
1 367 . 9 1 1 A 37 37 GLY N N 37 108.655 110.161 -1.506 1
1 368 . 9 1 1 A 37 37 GLY H H 37 8.122 8.537 -0.415 1
1 369 . 9 1 1 A 37 37 GLY CA C 37 45.393 45.109 0.284 1
1 370 . 9 1 1 A 37 37 GLY HA2 H 37 3.969 4.242 -0.273 1
1 371 . 9 1 1 A 37 37 GLY HA3 H 37 3.969 4.244 -0.275 1
1 372 . 9 1 1 A 37 37 GLY C C 37 174.101 172.929 1.172 1
1 373 . 9 1 1 A 38 38 GLU N N 38 120.249 121.444 -1.195 1
1 374 . 9 1 1 A 38 38 GLU H H 38 8.035 8.575 -0.540 1
1 375 . 9 1 1 A 38 38 GLU CA C 38 56.257 57.085 -0.828 1
1 376 . 9 1 1 A 38 38 GLU HA H 38 4.280 4.247 0.033 1
1 377 . 9 1 1 A 38 38 GLU CB C 38 30.620 30.445 0.175 1
1 383 . 9 1 1 A 38 38 GLU C C 38 176.208 176.188 0.020 1
1 384 . 9 1 1 A 39 39 LYS N N 39 123.351 122.061 1.290 1
1 385 . 9 1 1 A 39 39 LYS H H 39 8.388 8.783 -0.395 1
1 386 . 9 1 1 A 39 39 LYS CA C 39 54.120 53.211 0.909 1
1 387 . 9 1 1 A 39 39 LYS HA H 39 4.601 4.699 -0.098 1
1 388 . 9 1 1 A 39 39 LYS CB C 39 32.529 32.511 0.018 1
1 400 . 9 1 1 A 39 39 LYS C C 39 174.534 176.309 -1.775 1
1 401 . 9 1 1 A 40 40 PRO CA C 40 63.272 64.295 -1.023 1
1 402 . 9 1 1 A 40 40 PRO HA H 40 4.457 4.446 0.011 1
1 403 . 9 1 1 A 40 40 PRO CB C 40 32.172 31.852 0.320 1
1 412 . 9 1 1 A 40 40 PRO C C 40 176.936 176.453 0.483 1
1 413 . 9 1 1 A 41 41 SER N N 41 116.372 114.003 2.369 1
1 414 . 9 1 1 A 41 41 SER H H 41 8.453 8.476 -0.023 1
1 415 . 9 1 1 A 41 41 SER CA C 41 58.319 57.221 1.098 1
1 416 . 9 1 1 A 41 41 SER HA H 41 4.479 4.891 -0.412 1
1 417 . 9 1 1 A 41 41 SER CB C 41 63.968 63.363 0.605 1
1 419 . 9 1 1 A 41 41 SER C C 41 174.592 174.217 0.375 1
1 420 . 9 1 1 A 42 42 GLY CA C 42 44.667 46.105 -1.438 1
1 421 . 9 1 1 A 42 42 GLY HA2 H 42 4.124 4.157 -0.033 1
1 422 . 9 1 1 A 42 42 GLY HA3 H 42 4.124 4.158 -0.034 1
1 423 . 9 1 1 A 43 43 PRO CA C 43 63.273 62.428 0.845 1
1 424 . 9 1 1 A 43 43 PRO HA H 43 4.461 4.555 -0.094 1
1 425 . 9 1 1 A 43 43 PRO CB C 43 32.217 32.910 -0.693 1
1 434 . 9 1 1 A 45 45 SER CA C 45 58.367 58.151 0.216 1
1 435 . 9 1 1 A 45 45 SER HA H 45 4.466 4.886 -0.420 1
1 436 . 9 1 1 A 45 45 SER CB C 45 63.999 63.772 0.227 1
1 439 . 9 1 1 A 45 45 SER C C 45 173.901 173.947 -0.046 1
1 1 . 10 1 1 A 6 6 SER CA C 6 58.528 57.249 1.279 1
1 2 . 10 1 1 A 6 6 SER HA H 6 4.485 5.319 -0.834 1
1 3 . 10 1 1 A 6 6 SER CB C 6 63.865 66.714 -2.849 1
1 6 . 10 1 1 A 6 6 SER C C 6 175.149 172.986 2.163 1
1 7 . 10 1 1 A 7 7 GLY N N 7 110.926 109.942 0.984 1
1 8 . 10 1 1 A 7 7 GLY H H 7 8.464 8.736 -0.272 1
1 9 . 10 1 1 A 7 7 GLY CA C 7 45.461 46.901 -1.440 1
1 10 . 10 1 1 A 7 7 GLY HA2 H 7 4.019 3.951 0.068 1
1 11 . 10 1 1 A 7 7 GLY HA3 H 7 4.019 3.955 0.064 1
1 12 . 10 1 1 A 7 7 GLY C C 7 174.546 173.918 0.628 1
1 13 . 10 1 1 A 8 8 THR N N 8 112.839 114.488 -1.649 1
1 14 . 10 1 1 A 8 8 THR H H 8 8.154 7.915 0.239 1
1 15 . 10 1 1 A 8 8 THR CA C 8 61.923 60.023 1.900 1
1 16 . 10 1 1 A 8 8 THR HA H 8 4.357 4.960 -0.603 1
1 17 . 10 1 1 A 8 8 THR CB C 8 69.768 70.500 -0.732 1
1 23 . 10 1 1 A 8 8 THR C C 8 175.302 175.259 0.043 1
1 24 . 10 1 1 A 9 9 GLY N N 9 111.223 109.691 1.532 1
1 25 . 10 1 1 A 9 9 GLY H H 9 8.456 8.636 -0.180 1
1 26 . 10 1 1 A 9 9 GLY CA C 9 45.282 44.447 0.835 1
1 27 . 10 1 1 A 9 9 GLY HA2 H 9 3.933 4.082 -0.149 1
1 28 . 10 1 1 A 9 9 GLY HA3 H 9 3.933 4.094 -0.161 1
1 29 . 10 1 1 A 9 9 GLY C C 9 173.949 174.529 -0.580 1
1 30 . 10 1 1 A 10 10 GLU N N 10 120.531 118.208 2.323 1
1 31 . 10 1 1 A 10 10 GLU H H 10 8.215 8.856 -0.641 1
1 32 . 10 1 1 A 10 10 GLU CA C 10 56.445 57.450 -1.005 1
1 33 . 10 1 1 A 10 10 GLU HA H 10 4.223 3.943 0.280 1
1 34 . 10 1 1 A 10 10 GLU CB C 10 30.431 27.469 2.962 1
1 40 . 10 1 1 A 10 10 GLU C C 10 176.168 175.554 0.614 1
1 41 . 10 1 1 A 11 11 ARG N N 11 122.264 119.518 2.746 1
1 42 . 10 1 1 A 11 11 ARG H H 11 8.353 8.216 0.137 1
1 43 . 10 1 1 A 11 11 ARG CA C 11 55.619 54.772 0.847 1
1 44 . 10 1 1 A 11 11 ARG HA H 11 4.214 4.352 -0.138 1
1 45 . 10 1 1 A 11 11 ARG CB C 11 30.650 28.671 1.979 1
1 54 . 10 1 1 A 11 11 ARG C C 11 174.908 174.644 0.264 1
1 55 . 10 1 1 A 12 12 HIS N N 12 119.171 118.797 0.374 1
1 56 . 10 1 1 A 12 12 HIS H H 12 7.945 8.403 -0.458 1
1 57 . 10 1 1 A 12 12 HIS CA C 12 55.289 53.147 2.142 1
1 58 . 10 1 1 A 12 12 HIS HA H 12 4.649 5.762 -1.113 1
1 59 . 10 1 1 A 12 12 HIS CB C 12 31.520 33.144 -1.624 1
1 66 . 10 1 1 A 12 12 HIS C C 12 173.771 173.570 0.201 1
1 67 . 10 1 1 A 13 13 TYR N N 13 121.025 118.622 2.403 1
1 68 . 10 1 1 A 13 13 TYR H H 13 8.713 9.220 -0.507 1
1 69 . 10 1 1 A 13 13 TYR CA C 13 57.433 57.883 -0.450 1
1 70 . 10 1 1 A 13 13 TYR HA H 13 4.636 5.126 -0.490 1
1 71 . 10 1 1 A 13 13 TYR CB C 13 39.706 39.766 -0.060 1
1 82 . 10 1 1 A 13 13 TYR C C 13 174.850 175.595 -0.745 1
1 83 . 10 1 1 A 14 14 GLU N N 14 123.621 123.460 0.161 1
1 84 . 10 1 1 A 14 14 GLU H H 14 8.762 9.078 -0.316 1
1 85 . 10 1 1 A 14 14 GLU CA C 14 55.073 54.990 0.083 1
1 86 . 10 1 1 A 14 14 GLU HA H 14 4.949 5.385 -0.436 1
1 87 . 10 1 1 A 14 14 GLU CB C 14 32.760 32.194 0.566 1
1 93 . 10 1 1 A 14 14 GLU C C 14 175.487 175.988 -0.501 1
1 94 . 10 1 1 A 15 15 CYS N N 15 126.353 123.295 3.058 1
1 95 . 10 1 1 A 15 15 CYS H H 15 9.253 9.271 -0.018 1
1 96 . 10 1 1 A 15 15 CYS CA C 15 59.508 59.223 0.285 1
1 97 . 10 1 1 A 15 15 CYS HA H 15 4.580 4.613 -0.033 1
1 98 . 10 1 1 A 15 15 CYS CB C 15 29.646 28.438 1.208 1
1 101 . 10 1 1 A 15 15 CYS C C 15 177.465 176.069 1.396 1
1 102 . 10 1 1 A 16 16 SER CA C 16 60.968 58.120 2.848 1
1 103 . 10 1 1 A 16 16 SER HA H 16 4.291 4.640 -0.349 1
1 104 . 10 1 1 A 16 16 SER CB C 16 63.017 63.133 -0.116 1
1 107 . 10 1 1 A 16 16 SER C C 16 174.550 175.173 -0.623 1
1 108 . 10 1 1 A 17 17 GLU N N 17 122.749 121.711 1.038 1
1 109 . 10 1 1 A 17 17 GLU H H 17 8.679 7.941 0.738 1
1 110 . 10 1 1 A 17 17 GLU CA C 17 58.170 56.965 1.205 1
1 111 . 10 1 1 A 17 17 GLU HA H 17 4.252 4.373 -0.121 1
1 112 . 10 1 1 A 17 17 GLU CB C 17 29.693 31.293 -1.600 1
1 118 . 10 1 1 A 17 17 GLU C C 17 177.114 177.663 -0.549 1
1 119 . 10 1 1 A 18 18 CYS N N 18 114.770 114.682 0.088 1
1 120 . 10 1 1 A 18 18 CYS H H 18 7.892 8.025 -0.133 1
1 121 . 10 1 1 A 18 18 CYS CA C 18 58.423 59.777 -1.354 1
1 122 . 10 1 1 A 18 18 CYS HA H 18 5.160 4.660 0.500 1
1 123 . 10 1 1 A 18 18 CYS CB C 18 32.475 29.691 2.784 1
1 126 . 10 1 1 A 18 18 CYS C C 18 176.207 175.406 0.801 1
1 127 . 10 1 1 A 19 19 GLY N N 19 113.459 109.813 3.646 1
1 128 . 10 1 1 A 19 19 GLY H H 19 8.233 7.924 0.309 1
1 129 . 10 1 1 A 19 19 GLY CA C 19 46.185 45.032 1.153 1
1 130 . 10 1 1 A 19 19 GLY HA2 H 19 3.869 4.084 -0.215 1
1 131 . 10 1 1 A 19 19 GLY HA3 H 19 4.218 4.091 0.127 1
1 132 . 10 1 1 A 19 19 GLY C C 19 173.698 174.480 -0.782 1
1 133 . 10 1 1 A 20 20 LYS N N 20 122.669 121.694 0.975 1
1 134 . 10 1 1 A 20 20 LYS H H 20 7.913 7.959 -0.046 1
1 135 . 10 1 1 A 20 20 LYS CA C 20 58.015 55.800 2.215 1
1 136 . 10 1 1 A 20 20 LYS HA H 20 3.946 4.228 -0.282 1
1 137 . 10 1 1 A 20 20 LYS CB C 20 33.818 33.605 0.213 1
1 149 . 10 1 1 A 20 20 LYS C C 20 173.787 175.124 -1.337 1
1 150 . 10 1 1 A 21 21 ALA N N 21 123.558 125.599 -2.041 1
1 151 . 10 1 1 A 21 21 ALA H H 21 7.862 7.863 -0.001 1
1 152 . 10 1 1 A 21 21 ALA CA C 21 50.537 50.467 0.070 1
1 153 . 10 1 1 A 21 21 ALA HA H 21 5.010 4.979 0.031 1
1 154 . 10 1 1 A 21 21 ALA CB C 21 21.863 21.709 0.154 1
1 158 . 10 1 1 A 21 21 ALA C C 21 176.488 174.965 1.523 1
1 159 . 10 1 1 A 22 22 PHE N N 22 117.848 118.590 -0.742 1
1 160 . 10 1 1 A 22 22 PHE H H 22 8.649 8.940 -0.291 1
1 161 . 10 1 1 A 22 22 PHE CA C 22 57.125 56.410 0.715 1
1 162 . 10 1 1 A 22 22 PHE HA H 22 4.749 4.955 -0.206 1
1 163 . 10 1 1 A 22 22 PHE CB C 22 43.540 42.712 0.828 1
1 176 . 10 1 1 A 22 22 PHE C C 22 175.470 175.839 -0.369 1
1 177 . 10 1 1 A 23 23 ILE N N 23 118.637 124.767 -6.130 1
1 178 . 10 1 1 A 23 23 ILE H H 23 8.795 8.647 0.148 1
1 179 . 10 1 1 A 23 23 ILE CA C 23 62.569 63.396 -0.827 1
1 180 . 10 1 1 A 23 23 ILE HA H 23 4.413 4.228 0.185 1
1 181 . 10 1 1 A 23 23 ILE CB C 23 38.735 38.431 0.304 1
1 194 . 10 1 1 A 23 23 ILE C C 23 175.892 175.492 0.400 1
1 195 . 10 1 1 A 24 24 GLN N N 24 115.722 120.742 -5.020 1
1 196 . 10 1 1 A 24 24 GLN H H 24 7.552 7.607 -0.055 1
1 197 . 10 1 1 A 24 24 GLN CA C 24 54.181 55.238 -1.057 1
1 198 . 10 1 1 A 24 24 GLN HA H 24 4.813 4.577 0.236 1
1 199 . 10 1 1 A 24 24 GLN CB C 24 31.481 30.022 1.459 1
1 208 . 10 1 1 A 24 24 GLN C C 24 175.651 175.894 -0.243 1
1 209 . 10 1 1 A 25 25 LYS N N 25 125.530 126.992 -1.462 1
1 210 . 10 1 1 A 25 25 LYS H H 25 8.527 8.752 -0.225 1
1 211 . 10 1 1 A 25 25 LYS CA C 25 59.400 59.953 -0.553 1
1 212 . 10 1 1 A 25 25 LYS HA H 25 3.168 3.418 -0.250 1
1 213 . 10 1 1 A 25 25 LYS CB C 25 31.725 31.823 -0.098 1
1 225 . 10 1 1 A 25 25 LYS C C 25 178.710 177.971 0.739 1
1 226 . 10 1 1 A 26 26 SER CA C 26 60.794 61.423 -0.629 1
1 227 . 10 1 1 A 26 26 SER HA H 26 4.049 4.059 -0.010 1
1 228 . 10 1 1 A 26 26 SER CB C 26 61.478 63.068 -1.590 1
1 231 . 10 1 1 A 26 26 SER C C 26 177.149 177.169 -0.020 1
1 232 . 10 1 1 A 27 27 THR N N 27 118.548 117.811 0.737 1
1 233 . 10 1 1 A 27 27 THR H H 27 7.008 7.997 -0.989 1
1 234 . 10 1 1 A 27 27 THR CA C 27 65.197 66.667 -1.470 1
1 235 . 10 1 1 A 27 27 THR HA H 27 3.907 3.922 -0.015 1
1 236 . 10 1 1 A 27 27 THR CB C 27 67.801 68.677 -0.876 1
1 242 . 10 1 1 A 27 27 THR C C 27 176.751 176.292 0.459 1
1 243 . 10 1 1 A 28 28 LEU N N 28 123.662 122.151 1.511 1
1 244 . 10 1 1 A 28 28 LEU H H 28 7.093 8.013 -0.920 1
1 245 . 10 1 1 A 28 28 LEU CA C 28 58.213 57.285 0.928 1
1 246 . 10 1 1 A 28 28 LEU HA H 28 3.176 3.161 0.015 1
1 247 . 10 1 1 A 28 28 LEU CB C 28 39.863 41.598 -1.735 1
1 260 . 10 1 1 A 28 28 LEU C C 28 177.749 178.011 -0.262 1
1 261 . 10 1 1 A 29 29 SER N N 29 114.674 114.678 -0.004 1
1 262 . 10 1 1 A 29 29 SER H H 29 8.358 7.941 0.417 1
1 263 . 10 1 1 A 29 29 SER CA C 29 61.767 61.645 0.122 1
1 264 . 10 1 1 A 29 29 SER HA H 29 4.257 4.028 0.229 1
1 265 . 10 1 1 A 29 29 SER CB C 29 62.473 62.956 -0.483 1
1 268 . 10 1 1 A 29 29 SER C C 29 177.197 176.862 0.335 1
1 269 . 10 1 1 A 30 30 MET N N 30 119.515 119.784 -0.269 1
1 270 . 10 1 1 A 30 30 MET H H 30 7.554 8.412 -0.858 1
1 271 . 10 1 1 A 30 30 MET CA C 30 58.170 57.573 0.597 1
1 272 . 10 1 1 A 30 30 MET HA H 30 4.152 4.195 -0.043 1
1 273 . 10 1 1 A 30 30 MET CB C 30 31.955 32.512 -0.557 1
1 283 . 10 1 1 A 30 30 MET C C 30 178.556 178.279 0.277 1
1 284 . 10 1 1 A 31 31 HIS N N 31 120.563 120.232 0.331 1
1 285 . 10 1 1 A 31 31 HIS H H 31 7.889 8.260 -0.371 1
1 286 . 10 1 1 A 31 31 HIS CA C 31 59.232 58.521 0.711 1
1 287 . 10 1 1 A 31 31 HIS HA H 31 4.172 4.122 0.050 1
1 288 . 10 1 1 A 31 31 HIS CB C 31 28.113 29.972 -1.859 1
1 295 . 10 1 1 A 31 31 HIS C C 31 176.443 177.349 -0.906 1
1 296 . 10 1 1 A 32 32 GLN N N 32 115.497 117.712 -2.215 1
1 297 . 10 1 1 A 32 32 GLN H H 32 8.418 8.684 -0.266 1
1 298 . 10 1 1 A 32 32 GLN CA C 32 59.471 59.353 0.118 1
1 299 . 10 1 1 A 32 32 GLN HA H 32 3.685 4.089 -0.404 1
1 300 . 10 1 1 A 32 32 GLN CB C 32 28.425 28.442 -0.017 1
1 309 . 10 1 1 A 32 32 GLN C C 32 177.567 178.466 -0.899 1
1 310 . 10 1 1 A 33 33 ARG N N 33 117.423 117.957 -0.534 1
1 311 . 10 1 1 A 33 33 ARG H H 33 7.210 8.132 -0.922 1
1 312 . 10 1 1 A 33 33 ARG CA C 33 59.089 58.749 0.340 1
1 313 . 10 1 1 A 33 33 ARG HA H 33 3.923 4.075 -0.152 1
1 314 . 10 1 1 A 33 33 ARG CB C 33 30.078 30.120 -0.042 1
1 322 . 10 1 1 A 33 33 ARG C C 33 178.760 177.778 0.982 1
1 323 . 10 1 1 A 34 34 ILE N N 34 116.545 115.850 0.695 1
1 324 . 10 1 1 A 34 34 ILE H H 34 7.752 7.934 -0.182 1
1 325 . 10 1 1 A 34 34 ILE CA C 34 63.271 63.479 -0.208 1
1 326 . 10 1 1 A 34 34 ILE HA H 34 3.948 3.718 0.230 1
1 327 . 10 1 1 A 34 34 ILE CB C 34 37.597 37.180 0.417 1
1 340 . 10 1 1 A 34 34 ILE C C 34 177.960 176.866 1.094 1
1 341 . 10 1 1 A 35 35 HIS N N 35 117.514 119.838 -2.324 1
1 342 . 10 1 1 A 35 35 HIS H H 35 7.073 7.823 -0.750 1
1 343 . 10 1 1 A 35 35 HIS CA C 35 55.599 58.502 -2.903 1
1 344 . 10 1 1 A 35 35 HIS HA H 35 4.745 4.499 0.246 1
1 345 . 10 1 1 A 35 35 HIS CB C 35 28.499 31.036 -2.537 1
1 352 . 10 1 1 A 35 35 HIS C C 35 175.514 177.423 -1.909 1
1 353 . 10 1 1 A 36 36 ARG N N 36 118.480 118.171 0.309 1
1 354 . 10 1 1 A 36 36 ARG H H 36 7.543 7.622 -0.079 1
1 355 . 10 1 1 A 36 36 ARG CA C 36 56.414 57.828 -1.414 1
1 356 . 10 1 1 A 36 36 ARG HA H 36 4.409 4.015 0.394 1
1 357 . 10 1 1 A 36 36 ARG CB C 36 30.891 30.507 0.384 1
1 366 . 10 1 1 A 36 36 ARG C C 36 176.661 177.364 -0.703 1
1 367 . 10 1 1 A 37 37 GLY N N 37 108.655 106.165 2.490 1
1 368 . 10 1 1 A 37 37 GLY H H 37 8.122 8.180 -0.058 1
1 369 . 10 1 1 A 37 37 GLY CA C 37 45.393 44.849 0.544 1
1 370 . 10 1 1 A 37 37 GLY HA2 H 37 3.969 4.002 -0.033 1
1 371 . 10 1 1 A 37 37 GLY HA3 H 37 3.969 4.018 -0.049 1
1 372 . 10 1 1 A 37 37 GLY C C 37 174.101 173.229 0.872 1
1 373 . 10 1 1 A 38 38 GLU N N 38 120.249 119.543 0.706 1
1 374 . 10 1 1 A 38 38 GLU H H 38 8.035 8.423 -0.388 1
1 375 . 10 1 1 A 38 38 GLU CA C 38 56.257 55.714 0.543 1
1 376 . 10 1 1 A 38 38 GLU HA H 38 4.280 4.659 -0.379 1
1 377 . 10 1 1 A 38 38 GLU CB C 38 30.620 28.361 2.259 1
1 383 . 10 1 1 A 38 38 GLU C C 38 176.208 174.949 1.259 1
1 384 . 10 1 1 A 39 39 LYS N N 39 123.351 119.109 4.242 1
1 385 . 10 1 1 A 39 39 LYS H H 39 8.388 8.312 0.076 1
1 386 . 10 1 1 A 39 39 LYS CA C 39 54.120 54.244 -0.124 1
1 387 . 10 1 1 A 39 39 LYS HA H 39 4.601 4.935 -0.334 1
1 388 . 10 1 1 A 39 39 LYS CB C 39 32.529 35.869 -3.340 1
1 400 . 10 1 1 A 39 39 LYS C C 39 174.534 173.571 0.963 1
1 401 . 10 1 1 A 40 40 PRO CA C 40 63.272 62.481 0.791 1
1 402 . 10 1 1 A 40 40 PRO HA H 40 4.457 4.739 -0.282 1
1 403 . 10 1 1 A 40 40 PRO CB C 40 32.172 29.760 2.412 1
1 412 . 10 1 1 A 40 40 PRO C C 40 176.936 175.107 1.829 1
1 413 . 10 1 1 A 41 41 SER N N 41 116.372 119.039 -2.667 1
1 414 . 10 1 1 A 41 41 SER H H 41 8.453 8.423 0.030 1
1 415 . 10 1 1 A 41 41 SER CA C 41 58.319 56.567 1.752 1
1 416 . 10 1 1 A 41 41 SER HA H 41 4.479 5.089 -0.610 1
1 417 . 10 1 1 A 41 41 SER CB C 41 63.968 66.650 -2.682 1
1 419 . 10 1 1 A 41 41 SER C C 41 174.592 173.929 0.663 1
1 420 . 10 1 1 A 42 42 GLY CA C 42 44.667 44.570 0.097 1
1 421 . 10 1 1 A 42 42 GLY HA2 H 42 4.124 4.088 0.036 1
1 422 . 10 1 1 A 42 42 GLY HA3 H 42 4.124 4.088 0.036 1
1 423 . 10 1 1 A 43 43 PRO CA C 43 63.273 62.888 0.385 1
1 424 . 10 1 1 A 43 43 PRO HA H 43 4.461 4.580 -0.119 1
1 425 . 10 1 1 A 43 43 PRO CB C 43 32.217 31.851 0.366 1
1 434 . 10 1 1 A 45 45 SER CA C 45 58.367 59.518 -1.151 1
1 435 . 10 1 1 A 45 45 SER HA H 45 4.466 4.579 -0.113 1
1 436 . 10 1 1 A 45 45 SER CB C 45 63.999 65.370 -1.371 1
1 439 . 10 1 1 A 45 45 SER C C 45 173.901 175.003 -1.102 1
1 1 . 11 1 1 A 6 6 SER CA C 6 58.528 60.161 -1.633 1
1 2 . 11 1 1 A 6 6 SER HA H 6 4.485 4.389 0.096 1
1 3 . 11 1 1 A 6 6 SER CB C 6 63.865 63.742 0.123 1
1 6 . 11 1 1 A 6 6 SER C C 6 175.149 175.318 -0.169 1
1 7 . 11 1 1 A 7 7 GLY N N 7 110.926 112.093 -1.167 1
1 8 . 11 1 1 A 7 7 GLY H H 7 8.464 8.565 -0.101 1
1 9 . 11 1 1 A 7 7 GLY CA C 7 45.461 45.647 -0.186 1
1 10 . 11 1 1 A 7 7 GLY HA2 H 7 4.019 3.984 0.035 1
1 11 . 11 1 1 A 7 7 GLY HA3 H 7 4.019 3.989 0.030 1
1 12 . 11 1 1 A 7 7 GLY C C 7 174.546 173.466 1.080 1
1 13 . 11 1 1 A 8 8 THR N N 8 112.839 116.483 -3.644 1
1 14 . 11 1 1 A 8 8 THR H H 8 8.154 8.598 -0.444 1
1 15 . 11 1 1 A 8 8 THR CA C 8 61.923 64.624 -2.701 1
1 16 . 11 1 1 A 8 8 THR HA H 8 4.357 3.917 0.440 1
1 17 . 11 1 1 A 8 8 THR CB C 8 69.768 68.884 0.884 1
1 23 . 11 1 1 A 8 8 THR C C 8 175.302 175.894 -0.592 1
1 24 . 11 1 1 A 9 9 GLY N N 9 111.223 114.184 -2.961 1
1 25 . 11 1 1 A 9 9 GLY H H 9 8.456 8.938 -0.482 1
1 26 . 11 1 1 A 9 9 GLY CA C 9 45.282 46.286 -1.004 1
1 27 . 11 1 1 A 9 9 GLY HA2 H 9 3.933 3.959 -0.026 1
1 28 . 11 1 1 A 9 9 GLY HA3 H 9 3.933 3.964 -0.031 1
1 29 . 11 1 1 A 9 9 GLY C C 9 173.949 175.080 -1.131 1
1 30 . 11 1 1 A 10 10 GLU N N 10 120.531 119.461 1.070 1
1 31 . 11 1 1 A 10 10 GLU H H 10 8.215 7.956 0.259 1
1 32 . 11 1 1 A 10 10 GLU CA C 10 56.445 57.104 -0.659 1
1 33 . 11 1 1 A 10 10 GLU HA H 10 4.223 4.088 0.135 1
1 34 . 11 1 1 A 10 10 GLU CB C 10 30.431 29.889 0.542 1
1 40 . 11 1 1 A 10 10 GLU C C 10 176.168 178.167 -1.999 1
1 41 . 11 1 1 A 11 11 ARG N N 11 122.264 124.128 -1.864 1
1 42 . 11 1 1 A 11 11 ARG H H 11 8.353 8.346 0.007 1
1 43 . 11 1 1 A 11 11 ARG CA C 11 55.619 58.096 -2.477 1
1 44 . 11 1 1 A 11 11 ARG HA H 11 4.214 3.916 0.298 1
1 45 . 11 1 1 A 11 11 ARG CB C 11 30.650 29.879 0.771 1
1 54 . 11 1 1 A 11 11 ARG C C 11 174.908 175.548 -0.640 1
1 55 . 11 1 1 A 12 12 HIS N N 12 119.171 114.122 5.049 1
1 56 . 11 1 1 A 12 12 HIS H H 12 7.945 7.296 0.649 1
1 57 . 11 1 1 A 12 12 HIS CA C 12 55.289 53.382 1.907 1
1 58 . 11 1 1 A 12 12 HIS HA H 12 4.649 4.989 -0.340 1
1 59 . 11 1 1 A 12 12 HIS CB C 12 31.520 32.999 -1.479 1
1 66 . 11 1 1 A 12 12 HIS C C 12 173.771 172.350 1.421 1
1 67 . 11 1 1 A 13 13 TYR N N 13 121.025 117.347 3.678 1
1 68 . 11 1 1 A 13 13 TYR H H 13 8.713 8.864 -0.151 1
1 69 . 11 1 1 A 13 13 TYR CA C 13 57.433 56.608 0.825 1
1 70 . 11 1 1 A 13 13 TYR HA H 13 4.636 5.193 -0.557 1
1 71 . 11 1 1 A 13 13 TYR CB C 13 39.706 41.611 -1.905 1
1 82 . 11 1 1 A 13 13 TYR C C 13 174.850 175.635 -0.785 1
1 83 . 11 1 1 A 14 14 GLU N N 14 123.621 122.090 1.531 1
1 84 . 11 1 1 A 14 14 GLU H H 14 8.762 8.951 -0.189 1
1 85 . 11 1 1 A 14 14 GLU CA C 14 55.073 54.905 0.168 1
1 86 . 11 1 1 A 14 14 GLU HA H 14 4.949 5.463 -0.514 1
1 87 . 11 1 1 A 14 14 GLU CB C 14 32.760 32.764 -0.004 1
1 93 . 11 1 1 A 14 14 GLU C C 14 175.487 175.672 -0.185 1
1 94 . 11 1 1 A 15 15 CYS N N 15 126.353 122.750 3.603 1
1 95 . 11 1 1 A 15 15 CYS H H 15 9.253 8.773 0.480 1
1 96 . 11 1 1 A 15 15 CYS CA C 15 59.508 58.917 0.591 1
1 97 . 11 1 1 A 15 15 CYS HA H 15 4.580 4.660 -0.080 1
1 98 . 11 1 1 A 15 15 CYS CB C 15 29.646 28.602 1.044 1
1 101 . 11 1 1 A 15 15 CYS C C 15 177.465 175.730 1.735 1
1 102 . 11 1 1 A 16 16 SER CA C 16 60.968 58.102 2.866 1
1 103 . 11 1 1 A 16 16 SER HA H 16 4.291 4.589 -0.298 1
1 104 . 11 1 1 A 16 16 SER CB C 16 63.017 62.285 0.732 1
1 107 . 11 1 1 A 16 16 SER C C 16 174.550 175.170 -0.620 1
1 108 . 11 1 1 A 17 17 GLU N N 17 122.749 121.743 1.006 1
1 109 . 11 1 1 A 17 17 GLU H H 17 8.679 7.954 0.725 1
1 110 . 11 1 1 A 17 17 GLU CA C 17 58.170 57.130 1.040 1
1 111 . 11 1 1 A 17 17 GLU HA H 17 4.252 4.424 -0.172 1
1 112 . 11 1 1 A 17 17 GLU CB C 17 29.693 31.648 -1.955 1
1 118 . 11 1 1 A 17 17 GLU C C 17 177.114 177.727 -0.613 1
1 119 . 11 1 1 A 18 18 CYS N N 18 114.770 115.009 -0.239 1
1 120 . 11 1 1 A 18 18 CYS H H 18 7.892 8.036 -0.144 1
1 121 . 11 1 1 A 18 18 CYS CA C 18 58.423 59.780 -1.357 1
1 122 . 11 1 1 A 18 18 CYS HA H 18 5.160 4.721 0.439 1
1 123 . 11 1 1 A 18 18 CYS CB C 18 32.475 29.805 2.670 1
1 126 . 11 1 1 A 18 18 CYS C C 18 176.207 175.464 0.743 1
1 127 . 11 1 1 A 19 19 GLY N N 19 113.459 109.769 3.690 1
1 128 . 11 1 1 A 19 19 GLY H H 19 8.233 8.002 0.231 1
1 129 . 11 1 1 A 19 19 GLY CA C 19 46.185 45.538 0.647 1
1 130 . 11 1 1 A 19 19 GLY HA2 H 19 3.869 4.064 -0.195 1
1 131 . 11 1 1 A 19 19 GLY HA3 H 19 4.218 4.072 0.146 1
1 132 . 11 1 1 A 19 19 GLY C C 19 173.698 174.094 -0.396 1
1 133 . 11 1 1 A 20 20 LYS N N 20 122.669 119.050 3.619 1
1 134 . 11 1 1 A 20 20 LYS H H 20 7.913 7.786 0.127 1
1 135 . 11 1 1 A 20 20 LYS CA C 20 58.015 54.133 3.882 1
1 136 . 11 1 1 A 20 20 LYS HA H 20 3.946 4.648 -0.702 1
1 137 . 11 1 1 A 20 20 LYS CB C 20 33.818 34.536 -0.718 1
1 149 . 11 1 1 A 20 20 LYS C C 20 173.787 175.195 -1.408 1
1 150 . 11 1 1 A 21 21 ALA N N 21 123.558 120.714 2.844 1
1 151 . 11 1 1 A 21 21 ALA H H 21 7.862 8.278 -0.416 1
1 152 . 11 1 1 A 21 21 ALA CA C 21 50.537 50.864 -0.327 1
1 153 . 11 1 1 A 21 21 ALA HA H 21 5.010 5.106 -0.096 1
1 154 . 11 1 1 A 21 21 ALA CB C 21 21.863 21.861 0.002 1
1 158 . 11 1 1 A 21 21 ALA C C 21 176.488 175.577 0.911 1
1 159 . 11 1 1 A 22 22 PHE N N 22 117.848 120.260 -2.412 1
1 160 . 11 1 1 A 22 22 PHE H H 22 8.649 9.396 -0.747 1
1 161 . 11 1 1 A 22 22 PHE CA C 22 57.125 56.768 0.357 1
1 162 . 11 1 1 A 22 22 PHE HA H 22 4.749 4.983 -0.234 1
1 163 . 11 1 1 A 22 22 PHE CB C 22 43.540 42.742 0.798 1
1 176 . 11 1 1 A 22 22 PHE C C 22 175.470 176.117 -0.647 1
1 177 . 11 1 1 A 23 23 ILE N N 23 118.637 122.948 -4.311 1
1 178 . 11 1 1 A 23 23 ILE H H 23 8.795 8.907 -0.112 1
1 179 . 11 1 1 A 23 23 ILE CA C 23 62.569 62.660 -0.091 1
1 180 . 11 1 1 A 23 23 ILE HA H 23 4.413 4.394 0.019 1
1 181 . 11 1 1 A 23 23 ILE CB C 23 38.735 40.084 -1.349 1
1 194 . 11 1 1 A 23 23 ILE C C 23 175.892 175.264 0.628 1
1 195 . 11 1 1 A 24 24 GLN N N 24 115.722 118.607 -2.885 1
1 196 . 11 1 1 A 24 24 GLN H H 24 7.552 7.818 -0.266 1
1 197 . 11 1 1 A 24 24 GLN CA C 24 54.181 54.280 -0.099 1
1 198 . 11 1 1 A 24 24 GLN HA H 24 4.813 5.056 -0.243 1
1 199 . 11 1 1 A 24 24 GLN CB C 24 31.481 32.725 -1.244 1
1 208 . 11 1 1 A 24 24 GLN C C 24 175.651 176.002 -0.351 1
1 209 . 11 1 1 A 25 25 LYS N N 25 125.530 124.237 1.293 1
1 210 . 11 1 1 A 25 25 LYS H H 25 8.527 9.007 -0.480 1
1 211 . 11 1 1 A 25 25 LYS CA C 25 59.400 59.783 -0.383 1
1 212 . 11 1 1 A 25 25 LYS HA H 25 3.168 3.458 -0.290 1
1 213 . 11 1 1 A 25 25 LYS CB C 25 31.725 32.037 -0.312 1
1 225 . 11 1 1 A 25 25 LYS C C 25 178.710 178.275 0.435 1
1 226 . 11 1 1 A 26 26 SER CA C 26 60.794 61.393 -0.599 1
1 227 . 11 1 1 A 26 26 SER HA H 26 4.049 4.125 -0.076 1
1 228 . 11 1 1 A 26 26 SER CB C 26 61.478 62.458 -0.980 1
1 231 . 11 1 1 A 26 26 SER C C 26 177.149 176.980 0.169 1
1 232 . 11 1 1 A 27 27 THR N N 27 118.548 116.048 2.500 1
1 233 . 11 1 1 A 27 27 THR H H 27 7.008 8.155 -1.147 1
1 234 . 11 1 1 A 27 27 THR CA C 27 65.197 67.234 -2.037 1
1 235 . 11 1 1 A 27 27 THR HA H 27 3.907 3.927 -0.020 1
1 236 . 11 1 1 A 27 27 THR CB C 27 67.801 68.597 -0.796 1
1 242 . 11 1 1 A 27 27 THR C C 27 176.751 175.938 0.813 1
1 243 . 11 1 1 A 28 28 LEU N N 28 123.662 121.194 2.468 1
1 244 . 11 1 1 A 28 28 LEU H H 28 7.093 7.728 -0.635 1
1 245 . 11 1 1 A 28 28 LEU CA C 28 58.213 57.077 1.136 1
1 246 . 11 1 1 A 28 28 LEU HA H 28 3.176 2.033 1.143 1
1 247 . 11 1 1 A 28 28 LEU CB C 28 39.863 40.796 -0.933 1
1 260 . 11 1 1 A 28 28 LEU C C 28 177.749 178.422 -0.673 1
1 261 . 11 1 1 A 29 29 SER N N 29 114.674 116.455 -1.781 1
1 262 . 11 1 1 A 29 29 SER H H 29 8.358 7.988 0.370 1
1 263 . 11 1 1 A 29 29 SER CA C 29 61.767 62.123 -0.356 1
1 264 . 11 1 1 A 29 29 SER HA H 29 4.257 3.962 0.295 1
1 265 . 11 1 1 A 29 29 SER CB C 29 62.473 62.439 0.034 1
1 268 . 11 1 1 A 29 29 SER C C 29 177.197 176.942 0.255 1
1 269 . 11 1 1 A 30 30 MET N N 30 119.515 119.570 -0.055 1
1 270 . 11 1 1 A 30 30 MET H H 30 7.554 8.333 -0.779 1
1 271 . 11 1 1 A 30 30 MET CA C 30 58.170 58.183 -0.013 1
1 272 . 11 1 1 A 30 30 MET HA H 30 4.152 4.204 -0.052 1
1 273 . 11 1 1 A 30 30 MET CB C 30 31.955 32.080 -0.125 1
1 283 . 11 1 1 A 30 30 MET C C 30 178.556 178.446 0.110 1
1 284 . 11 1 1 A 31 31 HIS N N 31 120.563 120.273 0.290 1
1 285 . 11 1 1 A 31 31 HIS H H 31 7.889 7.870 0.019 1
1 286 . 11 1 1 A 31 31 HIS CA C 31 59.232 58.953 0.279 1
1 287 . 11 1 1 A 31 31 HIS HA H 31 4.172 4.284 -0.112 1
1 288 . 11 1 1 A 31 31 HIS CB C 31 28.113 30.370 -2.257 1
1 295 . 11 1 1 A 31 31 HIS C C 31 176.443 177.190 -0.747 1
1 296 . 11 1 1 A 32 32 GLN N N 32 115.497 117.769 -2.272 1
1 297 . 11 1 1 A 32 32 GLN H H 32 8.418 8.642 -0.224 1
1 298 . 11 1 1 A 32 32 GLN CA C 32 59.471 59.299 0.172 1
1 299 . 11 1 1 A 32 32 GLN HA H 32 3.685 4.009 -0.324 1
1 300 . 11 1 1 A 32 32 GLN CB C 32 28.425 28.271 0.154 1
1 309 . 11 1 1 A 32 32 GLN C C 32 177.567 178.192 -0.625 1
1 310 . 11 1 1 A 33 33 ARG N N 33 117.423 117.725 -0.302 1
1 311 . 11 1 1 A 33 33 ARG H H 33 7.210 7.859 -0.649 1
1 312 . 11 1 1 A 33 33 ARG CA C 33 59.089 58.791 0.298 1
1 313 . 11 1 1 A 33 33 ARG HA H 33 3.923 4.091 -0.168 1
1 314 . 11 1 1 A 33 33 ARG CB C 33 30.078 30.178 -0.100 1
1 322 . 11 1 1 A 33 33 ARG C C 33 178.760 177.931 0.829 1
1 323 . 11 1 1 A 34 34 ILE N N 34 116.545 116.086 0.459 1
1 324 . 11 1 1 A 34 34 ILE H H 34 7.752 8.189 -0.437 1
1 325 . 11 1 1 A 34 34 ILE CA C 34 63.271 64.373 -1.102 1
1 326 . 11 1 1 A 34 34 ILE HA H 34 3.948 3.753 0.195 1
1 327 . 11 1 1 A 34 34 ILE CB C 34 37.597 37.258 0.339 1
1 340 . 11 1 1 A 34 34 ILE C C 34 177.960 177.586 0.374 1
1 341 . 11 1 1 A 35 35 HIS N N 35 117.514 120.270 -2.756 1
1 342 . 11 1 1 A 35 35 HIS H H 35 7.073 7.787 -0.714 1
1 343 . 11 1 1 A 35 35 HIS CA C 35 55.599 59.312 -3.713 1
1 344 . 11 1 1 A 35 35 HIS HA H 35 4.745 4.357 0.388 1
1 345 . 11 1 1 A 35 35 HIS CB C 35 28.499 30.596 -2.097 1
1 352 . 11 1 1 A 35 35 HIS C C 35 175.514 176.103 -0.589 1
1 353 . 11 1 1 A 36 36 ARG N N 36 118.480 117.132 1.348 1
1 354 . 11 1 1 A 36 36 ARG H H 36 7.543 7.968 -0.425 1
1 355 . 11 1 1 A 36 36 ARG CA C 36 56.414 55.718 0.696 1
1 356 . 11 1 1 A 36 36 ARG HA H 36 4.409 4.550 -0.141 1
1 357 . 11 1 1 A 36 36 ARG CB C 36 30.891 29.436 1.455 1
1 366 . 11 1 1 A 36 36 ARG C C 36 176.661 175.870 0.791 1
1 367 . 11 1 1 A 37 37 GLY N N 37 108.655 108.799 -0.144 1
1 368 . 11 1 1 A 37 37 GLY H H 37 8.122 8.112 0.010 1
1 369 . 11 1 1 A 37 37 GLY CA C 37 45.393 44.449 0.944 1
1 370 . 11 1 1 A 37 37 GLY HA2 H 37 3.969 4.031 -0.062 1
1 371 . 11 1 1 A 37 37 GLY HA3 H 37 3.969 4.033 -0.064 1
1 372 . 11 1 1 A 37 37 GLY C C 37 174.101 173.190 0.911 1
1 373 . 11 1 1 A 38 38 GLU N N 38 120.249 120.232 0.017 1
1 374 . 11 1 1 A 38 38 GLU H H 38 8.035 8.447 -0.412 1
1 375 . 11 1 1 A 38 38 GLU CA C 38 56.257 55.439 0.818 1
1 376 . 11 1 1 A 38 38 GLU HA H 38 4.280 4.628 -0.348 1
1 377 . 11 1 1 A 38 38 GLU CB C 38 30.620 31.295 -0.675 1
1 383 . 11 1 1 A 38 38 GLU C C 38 176.208 176.434 -0.226 1
1 384 . 11 1 1 A 39 39 LYS N N 39 123.351 123.916 -0.565 1
1 385 . 11 1 1 A 39 39 LYS H H 39 8.388 8.394 -0.006 1
1 386 . 11 1 1 A 39 39 LYS CA C 39 54.120 55.432 -1.312 1
1 387 . 11 1 1 A 39 39 LYS HA H 39 4.601 4.278 0.323 1
1 388 . 11 1 1 A 39 39 LYS CB C 39 32.529 32.569 -0.040 1
1 400 . 11 1 1 A 39 39 LYS C C 39 174.534 176.706 -2.172 1
1 401 . 11 1 1 A 40 40 PRO CA C 40 63.272 65.099 -1.827 1
1 402 . 11 1 1 A 40 40 PRO HA H 40 4.457 4.399 0.058 1
1 403 . 11 1 1 A 40 40 PRO CB C 40 32.172 32.080 0.092 1
1 412 . 11 1 1 A 40 40 PRO C C 40 176.936 176.477 0.459 1
1 413 . 11 1 1 A 41 41 SER N N 41 116.372 112.204 4.168 1
1 414 . 11 1 1 A 41 41 SER H H 41 8.453 7.855 0.598 1
1 415 . 11 1 1 A 41 41 SER CA C 41 58.319 56.549 1.770 1
1 416 . 11 1 1 A 41 41 SER HA H 41 4.479 4.905 -0.426 1
1 417 . 11 1 1 A 41 41 SER CB C 41 63.968 65.662 -1.694 1
1 419 . 11 1 1 A 41 41 SER C C 41 174.592 173.117 1.475 1
1 420 . 11 1 1 A 42 42 GLY CA C 42 44.667 45.663 -0.996 1
1 421 . 11 1 1 A 42 42 GLY HA2 H 42 4.124 4.213 -0.089 1
1 422 . 11 1 1 A 42 42 GLY HA3 H 42 4.124 4.213 -0.089 1
1 423 . 11 1 1 A 43 43 PRO CA C 43 63.273 62.689 0.584 1
1 424 . 11 1 1 A 43 43 PRO HA H 43 4.461 4.765 -0.304 1
1 425 . 11 1 1 A 43 43 PRO CB C 43 32.217 33.236 -1.019 1
1 434 . 11 1 1 A 45 45 SER CA C 45 58.367 59.495 -1.128 1
1 435 . 11 1 1 A 45 45 SER HA H 45 4.466 4.230 0.236 1
1 436 . 11 1 1 A 45 45 SER CB C 45 63.999 61.265 2.734 1
1 439 . 11 1 1 A 45 45 SER C C 45 173.901 173.923 -0.022 1
1 1 . 12 1 1 A 6 6 SER CA C 6 58.528 61.749 -3.221 1
1 2 . 12 1 1 A 6 6 SER HA H 6 4.485 4.176 0.309 1
1 3 . 12 1 1 A 6 6 SER CB C 6 63.865 63.056 0.809 1
1 6 . 12 1 1 A 6 6 SER C C 6 175.149 176.266 -1.117 1
1 7 . 12 1 1 A 7 7 GLY N N 7 110.926 108.998 1.928 1
1 8 . 12 1 1 A 7 7 GLY H H 7 8.464 8.121 0.343 1
1 9 . 12 1 1 A 7 7 GLY CA C 7 45.461 45.538 -0.077 1
1 10 . 12 1 1 A 7 7 GLY HA2 H 7 4.019 4.012 0.007 1
1 11 . 12 1 1 A 7 7 GLY HA3 H 7 4.019 4.013 0.006 1
1 12 . 12 1 1 A 7 7 GLY C C 7 174.546 174.818 -0.272 1
1 13 . 12 1 1 A 8 8 THR N N 8 112.839 113.594 -0.755 1
1 14 . 12 1 1 A 8 8 THR H H 8 8.154 8.765 -0.611 1
1 15 . 12 1 1 A 8 8 THR CA C 8 61.923 62.854 -0.931 1
1 16 . 12 1 1 A 8 8 THR HA H 8 4.357 4.331 0.026 1
1 17 . 12 1 1 A 8 8 THR CB C 8 69.768 69.626 0.142 1
1 23 . 12 1 1 A 8 8 THR C C 8 175.302 175.002 0.300 1
1 24 . 12 1 1 A 9 9 GLY N N 9 111.223 108.925 2.298 1
1 25 . 12 1 1 A 9 9 GLY H H 9 8.456 7.273 1.183 1
1 26 . 12 1 1 A 9 9 GLY CA C 9 45.282 45.496 -0.214 1
1 27 . 12 1 1 A 9 9 GLY HA2 H 9 3.933 4.031 -0.098 1
1 28 . 12 1 1 A 9 9 GLY HA3 H 9 3.933 4.037 -0.104 1
1 29 . 12 1 1 A 9 9 GLY C C 9 173.949 172.659 1.290 1
1 30 . 12 1 1 A 10 10 GLU N N 10 120.531 125.253 -4.722 1
1 31 . 12 1 1 A 10 10 GLU H H 10 8.215 8.593 -0.378 1
1 32 . 12 1 1 A 10 10 GLU CA C 10 56.445 55.954 0.491 1
1 33 . 12 1 1 A 10 10 GLU HA H 10 4.223 4.409 -0.186 1
1 34 . 12 1 1 A 10 10 GLU CB C 10 30.431 30.220 0.211 1
1 40 . 12 1 1 A 10 10 GLU C C 10 176.168 175.833 0.335 1
1 41 . 12 1 1 A 11 11 ARG N N 11 122.264 121.681 0.583 1
1 42 . 12 1 1 A 11 11 ARG H H 11 8.353 8.875 -0.522 1
1 43 . 12 1 1 A 11 11 ARG CA C 11 55.619 54.975 0.644 1
1 44 . 12 1 1 A 11 11 ARG HA H 11 4.214 4.824 -0.610 1
1 45 . 12 1 1 A 11 11 ARG CB C 11 30.650 30.342 0.308 1
1 54 . 12 1 1 A 11 11 ARG C C 11 174.908 174.547 0.361 1
1 55 . 12 1 1 A 12 12 HIS N N 12 119.171 118.536 0.635 1
1 56 . 12 1 1 A 12 12 HIS H H 12 7.945 8.304 -0.359 1
1 57 . 12 1 1 A 12 12 HIS CA C 12 55.289 53.729 1.560 1
1 58 . 12 1 1 A 12 12 HIS HA H 12 4.649 4.892 -0.243 1
1 59 . 12 1 1 A 12 12 HIS CB C 12 31.520 32.026 -0.506 1
1 66 . 12 1 1 A 12 12 HIS C C 12 173.771 172.315 1.456 1
1 67 . 12 1 1 A 13 13 TYR N N 13 121.025 118.374 2.651 1
1 68 . 12 1 1 A 13 13 TYR H H 13 8.713 8.526 0.187 1
1 69 . 12 1 1 A 13 13 TYR CA C 13 57.433 57.043 0.390 1
1 70 . 12 1 1 A 13 13 TYR HA H 13 4.636 4.836 -0.200 1
1 71 . 12 1 1 A 13 13 TYR CB C 13 39.706 37.769 1.937 1
1 82 . 12 1 1 A 13 13 TYR C C 13 174.850 174.934 -0.084 1
1 83 . 12 1 1 A 14 14 GLU N N 14 123.621 125.877 -2.256 1
1 84 . 12 1 1 A 14 14 GLU H H 14 8.762 8.927 -0.165 1
1 85 . 12 1 1 A 14 14 GLU CA C 14 55.073 54.839 0.234 1
1 86 . 12 1 1 A 14 14 GLU HA H 14 4.949 5.181 -0.232 1
1 87 . 12 1 1 A 14 14 GLU CB C 14 32.760 31.975 0.785 1
1 93 . 12 1 1 A 14 14 GLU C C 14 175.487 176.421 -0.934 1
1 94 . 12 1 1 A 15 15 CYS N N 15 126.353 125.984 0.369 1
1 95 . 12 1 1 A 15 15 CYS H H 15 9.253 8.946 0.307 1
1 96 . 12 1 1 A 15 15 CYS CA C 15 59.508 60.179 -0.671 1
1 97 . 12 1 1 A 15 15 CYS HA H 15 4.580 4.523 0.057 1
1 98 . 12 1 1 A 15 15 CYS CB C 15 29.646 29.020 0.626 1
1 101 . 12 1 1 A 15 15 CYS C C 15 177.465 176.174 1.291 1
1 102 . 12 1 1 A 16 16 SER CA C 16 60.968 58.105 2.863 1
1 103 . 12 1 1 A 16 16 SER HA H 16 4.291 4.580 -0.289 1
1 104 . 12 1 1 A 16 16 SER CB C 16 63.017 62.507 0.510 1
1 107 . 12 1 1 A 16 16 SER C C 16 174.550 175.159 -0.609 1
1 108 . 12 1 1 A 17 17 GLU N N 17 122.749 121.701 1.048 1
1 109 . 12 1 1 A 17 17 GLU H H 17 8.679 7.996 0.683 1
1 110 . 12 1 1 A 17 17 GLU CA C 17 58.170 57.218 0.952 1
1 111 . 12 1 1 A 17 17 GLU HA H 17 4.252 4.427 -0.175 1
1 112 . 12 1 1 A 17 17 GLU CB C 17 29.693 31.605 -1.912 1
1 118 . 12 1 1 A 17 17 GLU C C 17 177.114 177.782 -0.668 1
1 119 . 12 1 1 A 18 18 CYS N N 18 114.770 114.652 0.118 1
1 120 . 12 1 1 A 18 18 CYS H H 18 7.892 8.074 -0.182 1
1 121 . 12 1 1 A 18 18 CYS CA C 18 58.423 59.889 -1.466 1
1 122 . 12 1 1 A 18 18 CYS HA H 18 5.160 4.720 0.440 1
1 123 . 12 1 1 A 18 18 CYS CB C 18 32.475 29.770 2.705 1
1 126 . 12 1 1 A 18 18 CYS C C 18 176.207 175.326 0.881 1
1 127 . 12 1 1 A 19 19 GLY N N 19 113.459 109.914 3.545 1
1 128 . 12 1 1 A 19 19 GLY H H 19 8.233 8.060 0.173 1
1 129 . 12 1 1 A 19 19 GLY CA C 19 46.185 45.224 0.961 1
1 130 . 12 1 1 A 19 19 GLY HA2 H 19 3.869 4.055 -0.186 1
1 131 . 12 1 1 A 19 19 GLY HA3 H 19 4.218 4.057 0.161 1
1 132 . 12 1 1 A 19 19 GLY C C 19 173.698 174.254 -0.556 1
1 133 . 12 1 1 A 20 20 LYS N N 20 122.669 120.763 1.906 1
1 134 . 12 1 1 A 20 20 LYS H H 20 7.913 7.667 0.246 1
1 135 . 12 1 1 A 20 20 LYS CA C 20 58.015 54.540 3.475 1
1 136 . 12 1 1 A 20 20 LYS HA H 20 3.946 4.431 -0.485 1
1 137 . 12 1 1 A 20 20 LYS CB C 20 33.818 34.201 -0.383 1
1 149 . 12 1 1 A 20 20 LYS C C 20 173.787 174.618 -0.831 1
1 150 . 12 1 1 A 21 21 ALA N N 21 123.558 128.974 -5.416 1
1 151 . 12 1 1 A 21 21 ALA H H 21 7.862 8.573 -0.711 1
1 152 . 12 1 1 A 21 21 ALA CA C 21 50.537 49.694 0.843 1
1 153 . 12 1 1 A 21 21 ALA HA H 21 5.010 4.861 0.149 1
1 154 . 12 1 1 A 21 21 ALA CB C 21 21.863 20.024 1.839 1
1 158 . 12 1 1 A 21 21 ALA C C 21 176.488 175.789 0.699 1
1 159 . 12 1 1 A 22 22 PHE N N 22 117.848 119.366 -1.518 1
1 160 . 12 1 1 A 22 22 PHE H H 22 8.649 8.691 -0.042 1
1 161 . 12 1 1 A 22 22 PHE CA C 22 57.125 56.113 1.012 1
1 162 . 12 1 1 A 22 22 PHE HA H 22 4.749 4.911 -0.162 1
1 163 . 12 1 1 A 22 22 PHE CB C 22 43.540 42.024 1.516 1
1 176 . 12 1 1 A 22 22 PHE C C 22 175.470 175.957 -0.487 1
1 177 . 12 1 1 A 23 23 ILE N N 23 118.637 124.550 -5.913 1
1 178 . 12 1 1 A 23 23 ILE H H 23 8.795 8.653 0.142 1
1 179 . 12 1 1 A 23 23 ILE CA C 23 62.569 63.422 -0.853 1
1 180 . 12 1 1 A 23 23 ILE HA H 23 4.413 4.018 0.395 1
1 181 . 12 1 1 A 23 23 ILE CB C 23 38.735 38.426 0.309 1
1 194 . 12 1 1 A 23 23 ILE C C 23 175.892 175.480 0.412 1
1 195 . 12 1 1 A 24 24 GLN N N 24 115.722 120.049 -4.327 1
1 196 . 12 1 1 A 24 24 GLN H H 24 7.552 7.868 -0.316 1
1 197 . 12 1 1 A 24 24 GLN CA C 24 54.181 55.090 -0.909 1
1 198 . 12 1 1 A 24 24 GLN HA H 24 4.813 4.876 -0.063 1
1 199 . 12 1 1 A 24 24 GLN CB C 24 31.481 30.594 0.887 1
1 208 . 12 1 1 A 24 24 GLN C C 24 175.651 176.705 -1.054 1
1 209 . 12 1 1 A 25 25 LYS N N 25 125.530 124.755 0.775 1
1 210 . 12 1 1 A 25 25 LYS H H 25 8.527 8.941 -0.414 1
1 211 . 12 1 1 A 25 25 LYS CA C 25 59.400 59.933 -0.533 1
1 212 . 12 1 1 A 25 25 LYS HA H 25 3.168 3.765 -0.597 1
1 213 . 12 1 1 A 25 25 LYS CB C 25 31.725 31.885 -0.160 1
1 225 . 12 1 1 A 25 25 LYS C C 25 178.710 178.830 -0.120 1
1 226 . 12 1 1 A 26 26 SER CA C 26 60.794 61.478 -0.684 1
1 227 . 12 1 1 A 26 26 SER HA H 26 4.049 4.076 -0.027 1
1 228 . 12 1 1 A 26 26 SER CB C 26 61.478 63.038 -1.560 1
1 231 . 12 1 1 A 26 26 SER C C 26 177.149 177.338 -0.189 1
1 232 . 12 1 1 A 27 27 THR N N 27 118.548 117.929 0.619 1
1 233 . 12 1 1 A 27 27 THR H H 27 7.008 8.051 -1.043 1
1 234 . 12 1 1 A 27 27 THR CA C 27 65.197 66.564 -1.367 1
1 235 . 12 1 1 A 27 27 THR HA H 27 3.907 3.997 -0.090 1
1 236 . 12 1 1 A 27 27 THR CB C 27 67.801 68.234 -0.433 1
1 242 . 12 1 1 A 27 27 THR C C 27 176.751 176.462 0.289 1
1 243 . 12 1 1 A 28 28 LEU N N 28 123.662 122.413 1.249 1
1 244 . 12 1 1 A 28 28 LEU H H 28 7.093 7.833 -0.740 1
1 245 . 12 1 1 A 28 28 LEU CA C 28 58.213 57.365 0.848 1
1 246 . 12 1 1 A 28 28 LEU HA H 28 3.176 3.291 -0.115 1
1 247 . 12 1 1 A 28 28 LEU CB C 28 39.863 41.847 -1.984 1
1 260 . 12 1 1 A 28 28 LEU C C 28 177.749 178.222 -0.473 1
1 261 . 12 1 1 A 29 29 SER N N 29 114.674 115.108 -0.434 1
1 262 . 12 1 1 A 29 29 SER H H 29 8.358 8.097 0.261 1
1 263 . 12 1 1 A 29 29 SER CA C 29 61.767 61.977 -0.210 1
1 264 . 12 1 1 A 29 29 SER HA H 29 4.257 4.074 0.183 1
1 265 . 12 1 1 A 29 29 SER CB C 29 62.473 62.761 -0.288 1
1 268 . 12 1 1 A 29 29 SER C C 29 177.197 176.773 0.424 1
1 269 . 12 1 1 A 30 30 MET N N 30 119.515 119.515 0.000 1
1 270 . 12 1 1 A 30 30 MET H H 30 7.554 8.358 -0.804 1
1 271 . 12 1 1 A 30 30 MET CA C 30 58.170 57.815 0.355 1
1 272 . 12 1 1 A 30 30 MET HA H 30 4.152 4.197 -0.045 1
1 273 . 12 1 1 A 30 30 MET CB C 30 31.955 32.263 -0.308 1
1 283 . 12 1 1 A 30 30 MET C C 30 178.556 178.407 0.149 1
1 284 . 12 1 1 A 31 31 HIS N N 31 120.563 120.086 0.477 1
1 285 . 12 1 1 A 31 31 HIS H H 31 7.889 8.285 -0.396 1
1 286 . 12 1 1 A 31 31 HIS CA C 31 59.232 59.275 -0.043 1
1 287 . 12 1 1 A 31 31 HIS HA H 31 4.172 4.119 0.053 1
1 288 . 12 1 1 A 31 31 HIS CB C 31 28.113 29.831 -1.718 1
1 295 . 12 1 1 A 31 31 HIS C C 31 176.443 177.403 -0.960 1
1 296 . 12 1 1 A 32 32 GLN N N 32 115.497 117.590 -2.093 1
1 297 . 12 1 1 A 32 32 GLN H H 32 8.418 8.705 -0.287 1
1 298 . 12 1 1 A 32 32 GLN CA C 32 59.471 59.102 0.369 1
1 299 . 12 1 1 A 32 32 GLN HA H 32 3.685 4.039 -0.354 1
1 300 . 12 1 1 A 32 32 GLN CB C 32 28.425 28.355 0.070 1
1 309 . 12 1 1 A 32 32 GLN C C 32 177.567 178.487 -0.920 1
1 310 . 12 1 1 A 33 33 ARG N N 33 117.423 118.027 -0.604 1
1 311 . 12 1 1 A 33 33 ARG H H 33 7.210 8.193 -0.983 1
1 312 . 12 1 1 A 33 33 ARG CA C 33 59.089 58.685 0.404 1
1 313 . 12 1 1 A 33 33 ARG HA H 33 3.923 4.084 -0.161 1
1 314 . 12 1 1 A 33 33 ARG CB C 33 30.078 30.145 -0.067 1
1 322 . 12 1 1 A 33 33 ARG C C 33 178.760 177.750 1.010 1
1 323 . 12 1 1 A 34 34 ILE N N 34 116.545 115.678 0.867 1
1 324 . 12 1 1 A 34 34 ILE H H 34 7.752 7.983 -0.231 1
1 325 . 12 1 1 A 34 34 ILE CA C 34 63.271 63.265 0.006 1
1 326 . 12 1 1 A 34 34 ILE HA H 34 3.948 3.795 0.153 1
1 327 . 12 1 1 A 34 34 ILE CB C 34 37.597 37.394 0.203 1
1 340 . 12 1 1 A 34 34 ILE C C 34 177.960 176.494 1.466 1
1 341 . 12 1 1 A 35 35 HIS N N 35 117.514 119.445 -1.931 1
1 342 . 12 1 1 A 35 35 HIS H H 35 7.073 8.256 -1.183 1
1 343 . 12 1 1 A 35 35 HIS CA C 35 55.599 55.392 0.207 1
1 344 . 12 1 1 A 35 35 HIS HA H 35 4.745 4.635 0.110 1
1 345 . 12 1 1 A 35 35 HIS CB C 35 28.499 29.603 -1.104 1
1 352 . 12 1 1 A 35 35 HIS C C 35 175.514 174.849 0.665 1
1 353 . 12 1 1 A 36 36 ARG N N 36 118.480 120.650 -2.170 1
1 354 . 12 1 1 A 36 36 ARG H H 36 7.543 7.818 -0.275 1
1 355 . 12 1 1 A 36 36 ARG CA C 36 56.414 54.593 1.821 1
1 356 . 12 1 1 A 36 36 ARG HA H 36 4.409 4.405 0.004 1
1 357 . 12 1 1 A 36 36 ARG CB C 36 30.891 29.423 1.468 1
1 366 . 12 1 1 A 36 36 ARG C C 36 176.661 175.746 0.915 1
1 367 . 12 1 1 A 37 37 GLY N N 37 108.655 111.522 -2.867 1
1 368 . 12 1 1 A 37 37 GLY H H 37 8.122 8.654 -0.532 1
1 369 . 12 1 1 A 37 37 GLY CA C 37 45.393 44.495 0.898 1
1 370 . 12 1 1 A 37 37 GLY HA2 H 37 3.969 4.021 -0.052 1
1 371 . 12 1 1 A 37 37 GLY HA3 H 37 3.969 4.031 -0.062 1
1 372 . 12 1 1 A 37 37 GLY C C 37 174.101 172.766 1.335 1
1 373 . 12 1 1 A 38 38 GLU N N 38 120.249 121.257 -1.008 1
1 374 . 12 1 1 A 38 38 GLU H H 38 8.035 8.361 -0.326 1
1 375 . 12 1 1 A 38 38 GLU CA C 38 56.257 55.988 0.269 1
1 376 . 12 1 1 A 38 38 GLU HA H 38 4.280 4.276 0.004 1
1 377 . 12 1 1 A 38 38 GLU CB C 38 30.620 30.386 0.234 1
1 383 . 12 1 1 A 38 38 GLU C C 38 176.208 177.217 -1.009 1
1 384 . 12 1 1 A 39 39 LYS N N 39 123.351 122.067 1.284 1
1 385 . 12 1 1 A 39 39 LYS H H 39 8.388 8.925 -0.537 1
1 386 . 12 1 1 A 39 39 LYS CA C 39 54.120 56.795 -2.675 1
1 387 . 12 1 1 A 39 39 LYS HA H 39 4.601 3.826 0.775 1
1 388 . 12 1 1 A 39 39 LYS CB C 39 32.529 30.121 2.408 1
1 400 . 12 1 1 A 39 39 LYS C C 39 174.534 176.647 -2.113 1
1 401 . 12 1 1 A 40 40 PRO CA C 40 63.272 64.920 -1.648 1
1 402 . 12 1 1 A 40 40 PRO HA H 40 4.457 4.469 -0.012 1
1 403 . 12 1 1 A 40 40 PRO CB C 40 32.172 31.952 0.220 1
1 412 . 12 1 1 A 40 40 PRO C C 40 176.936 176.035 0.901 1
1 413 . 12 1 1 A 41 41 SER N N 41 116.372 108.406 7.966 1
1 414 . 12 1 1 A 41 41 SER H H 41 8.453 7.623 0.830 1
1 415 . 12 1 1 A 41 41 SER CA C 41 58.319 57.398 0.921 1
1 416 . 12 1 1 A 41 41 SER HA H 41 4.479 4.808 -0.329 1
1 417 . 12 1 1 A 41 41 SER CB C 41 63.968 65.770 -1.802 1
1 419 . 12 1 1 A 41 41 SER C C 41 174.592 173.444 1.148 1
1 420 . 12 1 1 A 42 42 GLY CA C 42 44.667 46.985 -2.318 1
1 421 . 12 1 1 A 42 42 GLY HA2 H 42 4.124 3.907 0.217 1
1 422 . 12 1 1 A 42 42 GLY HA3 H 42 4.124 3.908 0.216 1
1 423 . 12 1 1 A 43 43 PRO CA C 43 63.273 65.009 -1.736 1
1 424 . 12 1 1 A 43 43 PRO HA H 43 4.461 4.262 0.199 1
1 425 . 12 1 1 A 43 43 PRO CB C 43 32.217 31.423 0.794 1
1 434 . 12 1 1 A 45 45 SER CA C 45 58.367 57.751 0.616 1
1 435 . 12 1 1 A 45 45 SER HA H 45 4.466 4.953 -0.487 1
1 436 . 12 1 1 A 45 45 SER CB C 45 63.999 66.624 -2.625 1
1 439 . 12 1 1 A 45 45 SER C C 45 173.901 174.097 -0.196 1
1 1 . 13 1 1 A 6 6 SER CA C 6 58.528 56.661 1.867 1
1 2 . 13 1 1 A 6 6 SER HA H 6 4.485 5.384 -0.899 1
1 3 . 13 1 1 A 6 6 SER CB C 6 63.865 64.962 -1.097 1
1 6 . 13 1 1 A 6 6 SER C C 6 175.149 173.640 1.509 1
1 7 . 13 1 1 A 7 7 GLY N N 7 110.926 110.610 0.316 1
1 8 . 13 1 1 A 7 7 GLY H H 7 8.464 8.437 0.027 1
1 9 . 13 1 1 A 7 7 GLY CA C 7 45.461 45.626 -0.165 1
1 10 . 13 1 1 A 7 7 GLY HA2 H 7 4.019 4.158 -0.139 1
1 11 . 13 1 1 A 7 7 GLY HA3 H 7 4.019 4.161 -0.142 1
1 12 . 13 1 1 A 7 7 GLY C C 7 174.546 175.089 -0.543 1
1 13 . 13 1 1 A 8 8 THR N N 8 112.839 110.936 1.903 1
1 14 . 13 1 1 A 8 8 THR H H 8 8.154 7.866 0.288 1
1 15 . 13 1 1 A 8 8 THR CA C 8 61.923 63.709 -1.786 1
1 16 . 13 1 1 A 8 8 THR HA H 8 4.357 4.439 -0.082 1
1 17 . 13 1 1 A 8 8 THR CB C 8 69.768 70.760 -0.992 1
1 23 . 13 1 1 A 8 8 THR C C 8 175.302 174.358 0.944 1
1 24 . 13 1 1 A 9 9 GLY N N 9 111.223 107.821 3.402 1
1 25 . 13 1 1 A 9 9 GLY H H 9 8.456 7.780 0.676 1
1 26 . 13 1 1 A 9 9 GLY CA C 9 45.282 44.620 0.662 1
1 27 . 13 1 1 A 9 9 GLY HA2 H 9 3.933 3.992 -0.059 1
1 28 . 13 1 1 A 9 9 GLY HA3 H 9 3.933 3.998 -0.065 1
1 29 . 13 1 1 A 9 9 GLY C C 9 173.949 172.422 1.527 1
1 30 . 13 1 1 A 10 10 GLU N N 10 120.531 118.875 1.656 1
1 31 . 13 1 1 A 10 10 GLU H H 10 8.215 9.220 -1.005 1
1 32 . 13 1 1 A 10 10 GLU CA C 10 56.445 54.386 2.059 1
1 33 . 13 1 1 A 10 10 GLU HA H 10 4.223 5.029 -0.806 1
1 34 . 13 1 1 A 10 10 GLU CB C 10 30.431 33.412 -2.981 1
1 40 . 13 1 1 A 10 10 GLU C C 10 176.168 174.569 1.599 1
1 41 . 13 1 1 A 11 11 ARG N N 11 122.264 121.959 0.305 1
1 42 . 13 1 1 A 11 11 ARG H H 11 8.353 8.481 -0.128 1
1 43 . 13 1 1 A 11 11 ARG CA C 11 55.619 54.656 0.963 1
1 44 . 13 1 1 A 11 11 ARG HA H 11 4.214 4.601 -0.387 1
1 45 . 13 1 1 A 11 11 ARG CB C 11 30.650 31.092 -0.442 1
1 54 . 13 1 1 A 11 11 ARG C C 11 174.908 176.311 -1.403 1
1 55 . 13 1 1 A 12 12 HIS N N 12 119.171 124.223 -5.052 1
1 56 . 13 1 1 A 12 12 HIS H H 12 7.945 8.352 -0.407 1
1 57 . 13 1 1 A 12 12 HIS CA C 12 55.289 55.304 -0.015 1
1 58 . 13 1 1 A 12 12 HIS HA H 12 4.649 4.701 -0.052 1
1 59 . 13 1 1 A 12 12 HIS CB C 12 31.520 31.558 -0.038 1
1 66 . 13 1 1 A 12 12 HIS C C 12 173.771 174.332 -0.561 1
1 67 . 13 1 1 A 13 13 TYR N N 13 121.025 119.306 1.719 1
1 68 . 13 1 1 A 13 13 TYR H H 13 8.713 9.039 -0.326 1
1 69 . 13 1 1 A 13 13 TYR CA C 13 57.433 57.702 -0.269 1
1 70 . 13 1 1 A 13 13 TYR HA H 13 4.636 4.785 -0.149 1
1 71 . 13 1 1 A 13 13 TYR CB C 13 39.706 37.963 1.743 1
1 82 . 13 1 1 A 13 13 TYR C C 13 174.850 175.216 -0.366 1
1 83 . 13 1 1 A 14 14 GLU N N 14 123.621 125.953 -2.332 1
1 84 . 13 1 1 A 14 14 GLU H H 14 8.762 8.906 -0.144 1
1 85 . 13 1 1 A 14 14 GLU CA C 14 55.073 55.129 -0.056 1
1 86 . 13 1 1 A 14 14 GLU HA H 14 4.949 5.192 -0.243 1
1 87 . 13 1 1 A 14 14 GLU CB C 14 32.760 31.415 1.345 1
1 93 . 13 1 1 A 14 14 GLU C C 14 175.487 176.773 -1.286 1
1 94 . 13 1 1 A 15 15 CYS N N 15 126.353 125.703 0.650 1
1 95 . 13 1 1 A 15 15 CYS H H 15 9.253 8.960 0.293 1
1 96 . 13 1 1 A 15 15 CYS CA C 15 59.508 59.750 -0.242 1
1 97 . 13 1 1 A 15 15 CYS HA H 15 4.580 4.684 -0.104 1
1 98 . 13 1 1 A 15 15 CYS CB C 15 29.646 28.787 0.859 1
1 101 . 13 1 1 A 15 15 CYS C C 15 177.465 175.088 2.377 1
1 102 . 13 1 1 A 16 16 SER CA C 16 60.968 59.963 1.005 1
1 103 . 13 1 1 A 16 16 SER HA H 16 4.291 4.554 -0.263 1
1 104 . 13 1 1 A 16 16 SER CB C 16 63.017 63.897 -0.880 1
1 107 . 13 1 1 A 16 16 SER C C 16 174.550 175.553 -1.003 1
1 108 . 13 1 1 A 17 17 GLU N N 17 122.749 122.027 0.722 1
1 109 . 13 1 1 A 17 17 GLU H H 17 8.679 7.252 1.427 1
1 110 . 13 1 1 A 17 17 GLU CA C 17 58.170 58.968 -0.798 1
1 111 . 13 1 1 A 17 17 GLU HA H 17 4.252 3.958 0.294 1
1 112 . 13 1 1 A 17 17 GLU CB C 17 29.693 29.195 0.498 1
1 118 . 13 1 1 A 17 17 GLU C C 17 177.114 178.421 -1.307 1
1 119 . 13 1 1 A 18 18 CYS N N 18 114.770 114.747 0.023 1
1 120 . 13 1 1 A 18 18 CYS H H 18 7.892 7.851 0.041 1
1 121 . 13 1 1 A 18 18 CYS CA C 18 58.423 60.133 -1.710 1
1 122 . 13 1 1 A 18 18 CYS HA H 18 5.160 4.559 0.601 1
1 123 . 13 1 1 A 18 18 CYS CB C 18 32.475 29.218 3.257 1
1 126 . 13 1 1 A 18 18 CYS C C 18 176.207 175.305 0.902 1
1 127 . 13 1 1 A 19 19 GLY N N 19 113.459 110.172 3.287 1
1 128 . 13 1 1 A 19 19 GLY H H 19 8.233 8.178 0.055 1
1 129 . 13 1 1 A 19 19 GLY CA C 19 46.185 45.328 0.857 1
1 130 . 13 1 1 A 19 19 GLY HA2 H 19 3.869 4.051 -0.182 1
1 131 . 13 1 1 A 19 19 GLY HA3 H 19 4.218 4.067 0.151 1
1 132 . 13 1 1 A 19 19 GLY C C 19 173.698 174.524 -0.826 1
1 133 . 13 1 1 A 20 20 LYS N N 20 122.669 121.785 0.884 1
1 134 . 13 1 1 A 20 20 LYS H H 20 7.913 7.904 0.009 1
1 135 . 13 1 1 A 20 20 LYS CA C 20 58.015 55.486 2.529 1
1 136 . 13 1 1 A 20 20 LYS HA H 20 3.946 4.233 -0.287 1
1 137 . 13 1 1 A 20 20 LYS CB C 20 33.818 33.217 0.601 1
1 149 . 13 1 1 A 20 20 LYS C C 20 173.787 175.677 -1.890 1
1 150 . 13 1 1 A 21 21 ALA N N 21 123.558 128.336 -4.778 1
1 151 . 13 1 1 A 21 21 ALA H H 21 7.862 8.325 -0.463 1
1 152 . 13 1 1 A 21 21 ALA CA C 21 50.537 50.026 0.511 1
1 153 . 13 1 1 A 21 21 ALA HA H 21 5.010 4.908 0.102 1
1 154 . 13 1 1 A 21 21 ALA CB C 21 21.863 20.396 1.467 1
1 158 . 13 1 1 A 21 21 ALA C C 21 176.488 176.275 0.213 1
1 159 . 13 1 1 A 22 22 PHE N N 22 117.848 118.800 -0.952 1
1 160 . 13 1 1 A 22 22 PHE H H 22 8.649 8.722 -0.073 1
1 161 . 13 1 1 A 22 22 PHE CA C 22 57.125 56.905 0.220 1
1 162 . 13 1 1 A 22 22 PHE HA H 22 4.749 4.926 -0.177 1
1 163 . 13 1 1 A 22 22 PHE CB C 22 43.540 43.166 0.374 1
1 176 . 13 1 1 A 22 22 PHE C C 22 175.470 176.077 -0.607 1
1 177 . 13 1 1 A 23 23 ILE N N 23 118.637 123.258 -4.621 1
1 178 . 13 1 1 A 23 23 ILE H H 23 8.795 8.861 -0.066 1
1 179 . 13 1 1 A 23 23 ILE CA C 23 62.569 63.025 -0.456 1
1 180 . 13 1 1 A 23 23 ILE HA H 23 4.413 4.402 0.011 1
1 181 . 13 1 1 A 23 23 ILE CB C 23 38.735 39.461 -0.726 1
1 194 . 13 1 1 A 23 23 ILE C C 23 175.892 175.665 0.227 1
1 195 . 13 1 1 A 24 24 GLN N N 24 115.722 119.145 -3.423 1
1 196 . 13 1 1 A 24 24 GLN H H 24 7.552 7.973 -0.421 1
1 197 . 13 1 1 A 24 24 GLN CA C 24 54.181 54.380 -0.199 1
1 198 . 13 1 1 A 24 24 GLN HA H 24 4.813 4.761 0.052 1
1 199 . 13 1 1 A 24 24 GLN CB C 24 31.481 31.240 0.241 1
1 208 . 13 1 1 A 24 24 GLN C C 24 175.651 175.633 0.018 1
1 209 . 13 1 1 A 25 25 LYS N N 25 125.530 124.402 1.128 1
1 210 . 13 1 1 A 25 25 LYS H H 25 8.527 8.409 0.118 1
1 211 . 13 1 1 A 25 25 LYS CA C 25 59.400 59.307 0.093 1
1 212 . 13 1 1 A 25 25 LYS HA H 25 3.168 3.041 0.127 1
1 213 . 13 1 1 A 25 25 LYS CB C 25 31.725 31.248 0.477 1
1 225 . 13 1 1 A 25 25 LYS C C 25 178.710 177.446 1.264 1
1 226 . 13 1 1 A 26 26 SER CA C 26 60.794 61.505 -0.711 1
1 227 . 13 1 1 A 26 26 SER HA H 26 4.049 4.038 0.011 1
1 228 . 13 1 1 A 26 26 SER CB C 26 61.478 63.150 -1.672 1
1 231 . 13 1 1 A 26 26 SER C C 26 177.149 176.996 0.153 1
1 232 . 13 1 1 A 27 27 THR N N 27 118.548 116.898 1.650 1
1 233 . 13 1 1 A 27 27 THR H H 27 7.008 7.942 -0.934 1
1 234 . 13 1 1 A 27 27 THR CA C 27 65.197 66.957 -1.760 1
1 235 . 13 1 1 A 27 27 THR HA H 27 3.907 3.831 0.076 1
1 236 . 13 1 1 A 27 27 THR CB C 27 67.801 68.490 -0.689 1
1 242 . 13 1 1 A 27 27 THR C C 27 176.751 175.954 0.797 1
1 243 . 13 1 1 A 28 28 LEU N N 28 123.662 121.653 2.009 1
1 244 . 13 1 1 A 28 28 LEU H H 28 7.093 7.529 -0.436 1
1 245 . 13 1 1 A 28 28 LEU CA C 28 58.213 57.429 0.784 1
1 246 . 13 1 1 A 28 28 LEU HA H 28 3.176 2.744 0.432 1
1 247 . 13 1 1 A 28 28 LEU CB C 28 39.863 41.330 -1.467 1
1 260 . 13 1 1 A 28 28 LEU C C 28 177.749 178.079 -0.330 1
1 261 . 13 1 1 A 29 29 SER N N 29 114.674 114.569 0.105 1
1 262 . 13 1 1 A 29 29 SER H H 29 8.358 7.630 0.728 1
1 263 . 13 1 1 A 29 29 SER CA C 29 61.767 61.639 0.128 1
1 264 . 13 1 1 A 29 29 SER HA H 29 4.257 3.995 0.262 1
1 265 . 13 1 1 A 29 29 SER CB C 29 62.473 62.932 -0.459 1
1 268 . 13 1 1 A 29 29 SER C C 29 177.197 177.198 -0.001 1
1 269 . 13 1 1 A 30 30 MET N N 30 119.515 119.636 -0.121 1
1 270 . 13 1 1 A 30 30 MET H H 30 7.554 7.880 -0.326 1
1 271 . 13 1 1 A 30 30 MET CA C 30 58.170 58.034 0.136 1
1 272 . 13 1 1 A 30 30 MET HA H 30 4.152 4.127 0.025 1
1 273 . 13 1 1 A 30 30 MET CB C 30 31.955 32.076 -0.121 1
1 283 . 13 1 1 A 30 30 MET C C 30 178.556 178.475 0.081 1
1 284 . 13 1 1 A 31 31 HIS N N 31 120.563 120.454 0.109 1
1 285 . 13 1 1 A 31 31 HIS H H 31 7.889 8.171 -0.282 1
1 286 . 13 1 1 A 31 31 HIS CA C 31 59.232 58.751 0.481 1
1 287 . 13 1 1 A 31 31 HIS HA H 31 4.172 4.197 -0.025 1
1 288 . 13 1 1 A 31 31 HIS CB C 31 28.113 29.889 -1.776 1
1 295 . 13 1 1 A 31 31 HIS C C 31 176.443 177.446 -1.003 1
1 296 . 13 1 1 A 32 32 GLN N N 32 115.497 117.458 -1.961 1
1 297 . 13 1 1 A 32 32 GLN H H 32 8.418 8.648 -0.230 1
1 298 . 13 1 1 A 32 32 GLN CA C 32 59.471 59.318 0.153 1
1 299 . 13 1 1 A 32 32 GLN HA H 32 3.685 4.048 -0.363 1
1 300 . 13 1 1 A 32 32 GLN CB C 32 28.425 28.340 0.085 1
1 309 . 13 1 1 A 32 32 GLN C C 32 177.567 178.480 -0.913 1
1 310 . 13 1 1 A 33 33 ARG N N 33 117.423 117.960 -0.537 1
1 311 . 13 1 1 A 33 33 ARG H H 33 7.210 8.157 -0.947 1
1 312 . 13 1 1 A 33 33 ARG CA C 33 59.089 58.883 0.206 1
1 313 . 13 1 1 A 33 33 ARG HA H 33 3.923 4.053 -0.130 1
1 314 . 13 1 1 A 33 33 ARG CB C 33 30.078 30.161 -0.083 1
1 322 . 13 1 1 A 33 33 ARG C C 33 178.760 177.821 0.939 1
1 323 . 13 1 1 A 34 34 ILE N N 34 116.545 116.080 0.465 1
1 324 . 13 1 1 A 34 34 ILE H H 34 7.752 8.079 -0.327 1
1 325 . 13 1 1 A 34 34 ILE CA C 34 63.271 64.249 -0.978 1
1 326 . 13 1 1 A 34 34 ILE HA H 34 3.948 3.732 0.216 1
1 327 . 13 1 1 A 34 34 ILE CB C 34 37.597 37.308 0.289 1
1 340 . 13 1 1 A 34 34 ILE C C 34 177.960 177.371 0.589 1
1 341 . 13 1 1 A 35 35 HIS N N 35 117.514 119.557 -2.043 1
1 342 . 13 1 1 A 35 35 HIS H H 35 7.073 7.549 -0.476 1
1 343 . 13 1 1 A 35 35 HIS CA C 35 55.599 58.649 -3.050 1
1 344 . 13 1 1 A 35 35 HIS HA H 35 4.745 4.337 0.408 1
1 345 . 13 1 1 A 35 35 HIS CB C 35 28.499 31.072 -2.573 1
1 352 . 13 1 1 A 35 35 HIS C C 35 175.514 175.769 -0.255 1
1 353 . 13 1 1 A 36 36 ARG N N 36 118.480 116.026 2.454 1
1 354 . 13 1 1 A 36 36 ARG H H 36 7.543 7.889 -0.346 1
1 355 . 13 1 1 A 36 36 ARG CA C 36 56.414 55.450 0.964 1
1 356 . 13 1 1 A 36 36 ARG HA H 36 4.409 4.475 -0.066 1
1 357 . 13 1 1 A 36 36 ARG CB C 36 30.891 30.561 0.330 1
1 366 . 13 1 1 A 36 36 ARG C C 36 176.661 175.614 1.047 1
1 367 . 13 1 1 A 37 37 GLY N N 37 108.655 110.060 -1.405 1
1 368 . 13 1 1 A 37 37 GLY H H 37 8.122 8.643 -0.521 1
1 369 . 13 1 1 A 37 37 GLY CA C 37 45.393 46.188 -0.795 1
1 370 . 13 1 1 A 37 37 GLY HA2 H 37 3.969 4.004 -0.035 1
1 371 . 13 1 1 A 37 37 GLY HA3 H 37 3.969 4.007 -0.038 1
1 372 . 13 1 1 A 37 37 GLY C C 37 174.101 174.244 -0.143 1
1 373 . 13 1 1 A 38 38 GLU N N 38 120.249 118.609 1.640 1
1 374 . 13 1 1 A 38 38 GLU H H 38 8.035 8.038 -0.003 1
1 375 . 13 1 1 A 38 38 GLU CA C 38 56.257 55.822 0.435 1
1 376 . 13 1 1 A 38 38 GLU HA H 38 4.280 4.301 -0.021 1
1 377 . 13 1 1 A 38 38 GLU CB C 38 30.620 28.487 2.133 1
1 383 . 13 1 1 A 38 38 GLU C C 38 176.208 176.275 -0.067 1
1 384 . 13 1 1 A 39 39 LYS N N 39 123.351 115.464 7.887 1
1 385 . 13 1 1 A 39 39 LYS H H 39 8.388 7.937 0.451 1
1 386 . 13 1 1 A 39 39 LYS CA C 39 54.120 56.923 -2.803 1
1 387 . 13 1 1 A 39 39 LYS HA H 39 4.601 3.905 0.696 1
1 388 . 13 1 1 A 39 39 LYS CB C 39 32.529 30.520 2.009 1
1 400 . 13 1 1 A 39 39 LYS C C 39 174.534 176.845 -2.311 1
1 401 . 13 1 1 A 40 40 PRO CA C 40 63.272 64.887 -1.615 1
1 402 . 13 1 1 A 40 40 PRO HA H 40 4.457 4.431 0.026 1
1 403 . 13 1 1 A 40 40 PRO CB C 40 32.172 31.774 0.398 1
1 412 . 13 1 1 A 40 40 PRO C C 40 176.936 176.667 0.269 1
1 413 . 13 1 1 A 41 41 SER N N 41 116.372 113.076 3.296 1
1 414 . 13 1 1 A 41 41 SER H H 41 8.453 7.715 0.738 1
1 415 . 13 1 1 A 41 41 SER CA C 41 58.319 57.842 0.477 1
1 416 . 13 1 1 A 41 41 SER HA H 41 4.479 5.015 -0.536 1
1 417 . 13 1 1 A 41 41 SER CB C 41 63.968 67.549 -3.581 1
1 419 . 13 1 1 A 41 41 SER C C 41 174.592 173.452 1.140 1
1 420 . 13 1 1 A 42 42 GLY CA C 42 44.667 43.609 1.058 1
1 421 . 13 1 1 A 42 42 GLY HA2 H 42 4.124 4.165 -0.041 1
1 422 . 13 1 1 A 42 42 GLY HA3 H 42 4.124 4.165 -0.041 1
1 423 . 13 1 1 A 43 43 PRO CA C 43 63.273 63.948 -0.675 1
1 424 . 13 1 1 A 43 43 PRO HA H 43 4.461 4.502 -0.041 1
1 425 . 13 1 1 A 43 43 PRO CB C 43 32.217 31.917 0.300 1
1 434 . 13 1 1 A 45 45 SER CA C 45 58.367 61.589 -3.222 1
1 435 . 13 1 1 A 45 45 SER HA H 45 4.466 4.079 0.387 1
1 436 . 13 1 1 A 45 45 SER CB C 45 63.999 63.657 0.342 1
1 439 . 13 1 1 A 45 45 SER C C 45 173.901 175.238 -1.337 1
1 1 . 14 1 1 A 6 6 SER CA C 6 58.528 57.094 1.434 1
1 2 . 14 1 1 A 6 6 SER HA H 6 4.485 4.988 -0.503 1
1 3 . 14 1 1 A 6 6 SER CB C 6 63.865 66.385 -2.520 1
1 6 . 14 1 1 A 6 6 SER C C 6 175.149 173.513 1.636 1
1 7 . 14 1 1 A 7 7 GLY N N 7 110.926 108.639 2.287 1
1 8 . 14 1 1 A 7 7 GLY H H 7 8.464 8.576 -0.112 1
1 9 . 14 1 1 A 7 7 GLY CA C 7 45.461 44.468 0.993 1
1 10 . 14 1 1 A 7 7 GLY HA2 H 7 4.019 4.102 -0.083 1
1 11 . 14 1 1 A 7 7 GLY HA3 H 7 4.019 4.104 -0.085 1
1 12 . 14 1 1 A 7 7 GLY C C 7 174.546 175.096 -0.550 1
1 13 . 14 1 1 A 8 8 THR N N 8 112.839 116.008 -3.169 1
1 14 . 14 1 1 A 8 8 THR H H 8 8.154 7.967 0.187 1
1 15 . 14 1 1 A 8 8 THR CA C 8 61.923 63.699 -1.776 1
1 16 . 14 1 1 A 8 8 THR HA H 8 4.357 4.162 0.195 1
1 17 . 14 1 1 A 8 8 THR CB C 8 69.768 69.794 -0.026 1
1 23 . 14 1 1 A 8 8 THR C C 8 175.302 174.628 0.674 1
1 24 . 14 1 1 A 9 9 GLY N N 9 111.223 109.288 1.935 1
1 25 . 14 1 1 A 9 9 GLY H H 9 8.456 7.864 0.592 1
1 26 . 14 1 1 A 9 9 GLY CA C 9 45.282 45.612 -0.330 1
1 27 . 14 1 1 A 9 9 GLY HA2 H 9 3.933 3.875 0.058 1
1 28 . 14 1 1 A 9 9 GLY HA3 H 9 3.933 3.909 0.024 1
1 29 . 14 1 1 A 9 9 GLY C C 9 173.949 175.106 -1.157 1
1 30 . 14 1 1 A 10 10 GLU N N 10 120.531 121.034 -0.503 1
1 31 . 14 1 1 A 10 10 GLU H H 10 8.215 8.523 -0.308 1
1 32 . 14 1 1 A 10 10 GLU CA C 10 56.445 59.194 -2.749 1
1 33 . 14 1 1 A 10 10 GLU HA H 10 4.223 3.986 0.237 1
1 34 . 14 1 1 A 10 10 GLU CB C 10 30.431 29.495 0.936 1
1 40 . 14 1 1 A 10 10 GLU C C 10 176.168 177.058 -0.890 1
1 41 . 14 1 1 A 11 11 ARG N N 11 122.264 118.078 4.186 1
1 42 . 14 1 1 A 11 11 ARG H H 11 8.353 7.392 0.961 1
1 43 . 14 1 1 A 11 11 ARG CA C 11 55.619 56.102 -0.483 1
1 44 . 14 1 1 A 11 11 ARG HA H 11 4.214 4.135 0.079 1
1 45 . 14 1 1 A 11 11 ARG CB C 11 30.650 30.300 0.350 1
1 54 . 14 1 1 A 11 11 ARG C C 11 174.908 175.805 -0.897 1
1 55 . 14 1 1 A 12 12 HIS N N 12 119.171 117.540 1.631 1
1 56 . 14 1 1 A 12 12 HIS H H 12 7.945 8.159 -0.214 1
1 57 . 14 1 1 A 12 12 HIS CA C 12 55.289 55.170 0.119 1
1 58 . 14 1 1 A 12 12 HIS HA H 12 4.649 4.960 -0.311 1
1 59 . 14 1 1 A 12 12 HIS CB C 12 31.520 32.088 -0.568 1
1 66 . 14 1 1 A 12 12 HIS C C 12 173.771 174.447 -0.676 1
1 67 . 14 1 1 A 13 13 TYR N N 13 121.025 117.891 3.134 1
1 68 . 14 1 1 A 13 13 TYR H H 13 8.713 8.901 -0.188 1
1 69 . 14 1 1 A 13 13 TYR CA C 13 57.433 57.747 -0.314 1
1 70 . 14 1 1 A 13 13 TYR HA H 13 4.636 5.002 -0.366 1
1 71 . 14 1 1 A 13 13 TYR CB C 13 39.706 39.193 0.513 1
1 82 . 14 1 1 A 13 13 TYR C C 13 174.850 175.466 -0.616 1
1 83 . 14 1 1 A 14 14 GLU N N 14 123.621 123.968 -0.347 1
1 84 . 14 1 1 A 14 14 GLU H H 14 8.762 9.101 -0.339 1
1 85 . 14 1 1 A 14 14 GLU CA C 14 55.073 54.912 0.161 1
1 86 . 14 1 1 A 14 14 GLU HA H 14 4.949 5.336 -0.387 1
1 87 . 14 1 1 A 14 14 GLU CB C 14 32.760 32.697 0.063 1
1 93 . 14 1 1 A 14 14 GLU C C 14 175.487 175.913 -0.426 1
1 94 . 14 1 1 A 15 15 CYS N N 15 126.353 123.992 2.361 1
1 95 . 14 1 1 A 15 15 CYS H H 15 9.253 9.433 -0.180 1
1 96 . 14 1 1 A 15 15 CYS CA C 15 59.508 59.624 -0.116 1
1 97 . 14 1 1 A 15 15 CYS HA H 15 4.580 4.555 0.025 1
1 98 . 14 1 1 A 15 15 CYS CB C 15 29.646 28.249 1.397 1
1 101 . 14 1 1 A 15 15 CYS C C 15 177.465 175.986 1.479 1
1 102 . 14 1 1 A 16 16 SER CA C 16 60.968 58.098 2.870 1
1 103 . 14 1 1 A 16 16 SER HA H 16 4.291 4.569 -0.278 1
1 104 . 14 1 1 A 16 16 SER CB C 16 63.017 62.442 0.575 1
1 107 . 14 1 1 A 16 16 SER C C 16 174.550 175.307 -0.757 1
1 108 . 14 1 1 A 17 17 GLU N N 17 122.749 121.646 1.103 1
1 109 . 14 1 1 A 17 17 GLU H H 17 8.679 8.024 0.655 1
1 110 . 14 1 1 A 17 17 GLU CA C 17 58.170 57.350 0.820 1
1 111 . 14 1 1 A 17 17 GLU HA H 17 4.252 4.457 -0.205 1
1 112 . 14 1 1 A 17 17 GLU CB C 17 29.693 31.321 -1.628 1
1 118 . 14 1 1 A 17 17 GLU C C 17 177.114 177.756 -0.642 1
1 119 . 14 1 1 A 18 18 CYS N N 18 114.770 114.961 -0.191 1
1 120 . 14 1 1 A 18 18 CYS H H 18 7.892 8.049 -0.157 1
1 121 . 14 1 1 A 18 18 CYS CA C 18 58.423 60.001 -1.578 1
1 122 . 14 1 1 A 18 18 CYS HA H 18 5.160 4.665 0.495 1
1 123 . 14 1 1 A 18 18 CYS CB C 18 32.475 29.247 3.228 1
1 126 . 14 1 1 A 18 18 CYS C C 18 176.207 175.200 1.007 1
1 127 . 14 1 1 A 19 19 GLY N N 19 113.459 109.874 3.585 1
1 128 . 14 1 1 A 19 19 GLY H H 19 8.233 7.999 0.234 1
1 129 . 14 1 1 A 19 19 GLY CA C 19 46.185 45.237 0.948 1
1 130 . 14 1 1 A 19 19 GLY HA2 H 19 3.869 4.080 -0.211 1
1 131 . 14 1 1 A 19 19 GLY HA3 H 19 4.218 4.084 0.134 1
1 132 . 14 1 1 A 19 19 GLY C C 19 173.698 174.291 -0.593 1
1 133 . 14 1 1 A 20 20 LYS N N 20 122.669 120.340 2.329 1
1 134 . 14 1 1 A 20 20 LYS H H 20 7.913 7.772 0.141 1
1 135 . 14 1 1 A 20 20 LYS CA C 20 58.015 54.722 3.293 1
1 136 . 14 1 1 A 20 20 LYS HA H 20 3.946 4.660 -0.714 1
1 137 . 14 1 1 A 20 20 LYS CB C 20 33.818 35.188 -1.370 1
1 149 . 14 1 1 A 20 20 LYS C C 20 173.787 174.476 -0.689 1
1 150 . 14 1 1 A 21 21 ALA N N 21 123.558 125.245 -1.687 1
1 151 . 14 1 1 A 21 21 ALA H H 21 7.862 8.380 -0.518 1
1 152 . 14 1 1 A 21 21 ALA CA C 21 50.537 49.816 0.721 1
1 153 . 14 1 1 A 21 21 ALA HA H 21 5.010 5.322 -0.312 1
1 154 . 14 1 1 A 21 21 ALA CB C 21 21.863 22.213 -0.350 1
1 158 . 14 1 1 A 21 21 ALA C C 21 176.488 175.037 1.451 1
1 159 . 14 1 1 A 22 22 PHE N N 22 117.848 117.476 0.372 1
1 160 . 14 1 1 A 22 22 PHE H H 22 8.649 9.118 -0.469 1
1 161 . 14 1 1 A 22 22 PHE CA C 22 57.125 56.366 0.759 1
1 162 . 14 1 1 A 22 22 PHE HA H 22 4.749 4.880 -0.131 1
1 163 . 14 1 1 A 22 22 PHE CB C 22 43.540 42.314 1.226 1
1 176 . 14 1 1 A 22 22 PHE C C 22 175.470 175.787 -0.317 1
1 177 . 14 1 1 A 23 23 ILE N N 23 118.637 125.648 -7.011 1
1 178 . 14 1 1 A 23 23 ILE H H 23 8.795 8.646 0.149 1
1 179 . 14 1 1 A 23 23 ILE CA C 23 62.569 63.721 -1.152 1
1 180 . 14 1 1 A 23 23 ILE HA H 23 4.413 4.161 0.252 1
1 181 . 14 1 1 A 23 23 ILE CB C 23 38.735 38.306 0.429 1
1 194 . 14 1 1 A 23 23 ILE C C 23 175.892 175.419 0.473 1
1 195 . 14 1 1 A 24 24 GLN N N 24 115.722 119.715 -3.993 1
1 196 . 14 1 1 A 24 24 GLN H H 24 7.552 7.864 -0.312 1
1 197 . 14 1 1 A 24 24 GLN CA C 24 54.181 54.727 -0.546 1
1 198 . 14 1 1 A 24 24 GLN HA H 24 4.813 4.629 0.184 1
1 199 . 14 1 1 A 24 24 GLN CB C 24 31.481 30.884 0.597 1
1 208 . 14 1 1 A 24 24 GLN C C 24 175.651 175.740 -0.089 1
1 209 . 14 1 1 A 25 25 LYS N N 25 125.530 125.596 -0.066 1
1 210 . 14 1 1 A 25 25 LYS H H 25 8.527 8.765 -0.238 1
1 211 . 14 1 1 A 25 25 LYS CA C 25 59.400 59.655 -0.255 1
1 212 . 14 1 1 A 25 25 LYS HA H 25 3.168 3.404 -0.236 1
1 213 . 14 1 1 A 25 25 LYS CB C 25 31.725 31.465 0.260 1
1 225 . 14 1 1 A 25 25 LYS C C 25 178.710 177.982 0.728 1
1 226 . 14 1 1 A 26 26 SER CA C 26 60.794 62.286 -1.492 1
1 227 . 14 1 1 A 26 26 SER HA H 26 4.049 4.032 0.017 1
1 228 . 14 1 1 A 26 26 SER CB C 26 61.478 63.131 -1.653 1
1 231 . 14 1 1 A 26 26 SER C C 26 177.149 176.346 0.803 1
1 232 . 14 1 1 A 27 27 THR N N 27 118.548 117.635 0.913 1
1 233 . 14 1 1 A 27 27 THR H H 27 7.008 7.973 -0.965 1
1 234 . 14 1 1 A 27 27 THR CA C 27 65.197 66.471 -1.274 1
1 235 . 14 1 1 A 27 27 THR HA H 27 3.907 4.106 -0.199 1
1 236 . 14 1 1 A 27 27 THR CB C 27 67.801 68.413 -0.612 1
1 242 . 14 1 1 A 27 27 THR C C 27 176.751 176.536 0.215 1
1 243 . 14 1 1 A 28 28 LEU N N 28 123.662 122.128 1.534 1
1 244 . 14 1 1 A 28 28 LEU H H 28 7.093 7.682 -0.589 1
1 245 . 14 1 1 A 28 28 LEU CA C 28 58.213 56.990 1.223 1
1 246 . 14 1 1 A 28 28 LEU HA H 28 3.176 3.028 0.148 1
1 247 . 14 1 1 A 28 28 LEU CB C 28 39.863 41.520 -1.657 1
1 260 . 14 1 1 A 28 28 LEU C C 28 177.749 178.007 -0.258 1
1 261 . 14 1 1 A 29 29 SER N N 29 114.674 114.431 0.243 1
1 262 . 14 1 1 A 29 29 SER H H 29 8.358 8.104 0.254 1
1 263 . 14 1 1 A 29 29 SER CA C 29 61.767 61.607 0.160 1
1 264 . 14 1 1 A 29 29 SER HA H 29 4.257 4.006 0.251 1
1 265 . 14 1 1 A 29 29 SER CB C 29 62.473 62.909 -0.436 1
1 268 . 14 1 1 A 29 29 SER C C 29 177.197 176.669 0.528 1
1 269 . 14 1 1 A 30 30 MET N N 30 119.515 119.944 -0.429 1
1 270 . 14 1 1 A 30 30 MET H H 30 7.554 8.383 -0.829 1
1 271 . 14 1 1 A 30 30 MET CA C 30 58.170 58.115 0.055 1
1 272 . 14 1 1 A 30 30 MET HA H 30 4.152 4.172 -0.020 1
1 273 . 14 1 1 A 30 30 MET CB C 30 31.955 32.437 -0.482 1
1 283 . 14 1 1 A 30 30 MET C C 30 178.556 178.274 0.282 1
1 284 . 14 1 1 A 31 31 HIS N N 31 120.563 120.122 0.441 1
1 285 . 14 1 1 A 31 31 HIS H H 31 7.889 7.984 -0.095 1
1 286 . 14 1 1 A 31 31 HIS CA C 31 59.232 59.359 -0.127 1
1 287 . 14 1 1 A 31 31 HIS HA H 31 4.172 4.279 -0.107 1
1 288 . 14 1 1 A 31 31 HIS CB C 31 28.113 29.892 -1.779 1
1 295 . 14 1 1 A 31 31 HIS C C 31 176.443 177.099 -0.656 1
1 296 . 14 1 1 A 32 32 GLN N N 32 115.497 117.320 -1.823 1
1 297 . 14 1 1 A 32 32 GLN H H 32 8.418 8.489 -0.071 1
1 298 . 14 1 1 A 32 32 GLN CA C 32 59.471 59.197 0.274 1
1 299 . 14 1 1 A 32 32 GLN HA H 32 3.685 3.864 -0.179 1
1 300 . 14 1 1 A 32 32 GLN CB C 32 28.425 28.309 0.116 1
1 309 . 14 1 1 A 32 32 GLN C C 32 177.567 178.248 -0.681 1
1 310 . 14 1 1 A 33 33 ARG N N 33 117.423 117.686 -0.263 1
1 311 . 14 1 1 A 33 33 ARG H H 33 7.210 8.148 -0.938 1
1 312 . 14 1 1 A 33 33 ARG CA C 33 59.089 58.802 0.287 1
1 313 . 14 1 1 A 33 33 ARG HA H 33 3.923 4.076 -0.153 1
1 314 . 14 1 1 A 33 33 ARG CB C 33 30.078 30.204 -0.126 1
1 322 . 14 1 1 A 33 33 ARG C C 33 178.760 177.825 0.935 1
1 323 . 14 1 1 A 34 34 ILE N N 34 116.545 115.976 0.569 1
1 324 . 14 1 1 A 34 34 ILE H H 34 7.752 7.888 -0.136 1
1 325 . 14 1 1 A 34 34 ILE CA C 34 63.271 63.762 -0.491 1
1 326 . 14 1 1 A 34 34 ILE HA H 34 3.948 3.755 0.193 1
1 327 . 14 1 1 A 34 34 ILE CB C 34 37.597 37.392 0.205 1
1 340 . 14 1 1 A 34 34 ILE C C 34 177.960 177.259 0.701 1
1 341 . 14 1 1 A 35 35 HIS N N 35 117.514 120.514 -3.000 1
1 342 . 14 1 1 A 35 35 HIS H H 35 7.073 7.872 -0.799 1
1 343 . 14 1 1 A 35 35 HIS CA C 35 55.599 58.742 -3.143 1
1 344 . 14 1 1 A 35 35 HIS HA H 35 4.745 4.450 0.295 1
1 345 . 14 1 1 A 35 35 HIS CB C 35 28.499 30.530 -2.031 1
1 352 . 14 1 1 A 35 35 HIS C C 35 175.514 177.765 -2.251 1
1 353 . 14 1 1 A 36 36 ARG N N 36 118.480 118.006 0.474 1
1 354 . 14 1 1 A 36 36 ARG H H 36 7.543 8.127 -0.584 1
1 355 . 14 1 1 A 36 36 ARG CA C 36 56.414 59.111 -2.697 1
1 356 . 14 1 1 A 36 36 ARG HA H 36 4.409 3.981 0.428 1
1 357 . 14 1 1 A 36 36 ARG CB C 36 30.891 30.182 0.709 1
1 366 . 14 1 1 A 36 36 ARG C C 36 176.661 177.304 -0.643 1
1 367 . 14 1 1 A 37 37 GLY N N 37 108.655 107.270 1.385 1
1 368 . 14 1 1 A 37 37 GLY H H 37 8.122 7.516 0.606 1
1 369 . 14 1 1 A 37 37 GLY CA C 37 45.393 45.198 0.195 1
1 370 . 14 1 1 A 37 37 GLY HA2 H 37 3.969 4.008 -0.039 1
1 371 . 14 1 1 A 37 37 GLY HA3 H 37 3.969 4.016 -0.047 1
1 372 . 14 1 1 A 37 37 GLY C C 37 174.101 173.687 0.414 1
1 373 . 14 1 1 A 38 38 GLU N N 38 120.249 124.539 -4.290 1
1 374 . 14 1 1 A 38 38 GLU H H 38 8.035 8.816 -0.781 1
1 375 . 14 1 1 A 38 38 GLU CA C 38 56.257 57.218 -0.961 1
1 376 . 14 1 1 A 38 38 GLU HA H 38 4.280 4.528 -0.248 1
1 377 . 14 1 1 A 38 38 GLU CB C 38 30.620 31.889 -1.269 1
1 383 . 14 1 1 A 38 38 GLU C C 38 176.208 176.224 -0.016 1
1 384 . 14 1 1 A 39 39 LYS N N 39 123.351 119.847 3.504 1
1 385 . 14 1 1 A 39 39 LYS H H 39 8.388 7.796 0.592 1
1 386 . 14 1 1 A 39 39 LYS CA C 39 54.120 54.319 -0.199 1
1 387 . 14 1 1 A 39 39 LYS HA H 39 4.601 4.382 0.219 1
1 388 . 14 1 1 A 39 39 LYS CB C 39 32.529 33.218 -0.689 1
1 400 . 14 1 1 A 39 39 LYS C C 39 174.534 175.295 -0.761 1
1 401 . 14 1 1 A 40 40 PRO CA C 40 63.272 62.454 0.818 1
1 402 . 14 1 1 A 40 40 PRO HA H 40 4.457 4.672 -0.215 1
1 403 . 14 1 1 A 40 40 PRO CB C 40 32.172 30.462 1.710 1
1 412 . 14 1 1 A 40 40 PRO C C 40 176.936 177.017 -0.081 1
1 413 . 14 1 1 A 41 41 SER N N 41 116.372 115.767 0.605 1
1 414 . 14 1 1 A 41 41 SER H H 41 8.453 8.188 0.265 1
1 415 . 14 1 1 A 41 41 SER CA C 41 58.319 59.804 -1.485 1
1 416 . 14 1 1 A 41 41 SER HA H 41 4.479 4.226 0.253 1
1 417 . 14 1 1 A 41 41 SER CB C 41 63.968 62.739 1.229 1
1 419 . 14 1 1 A 41 41 SER C C 41 174.592 174.685 -0.093 1
1 420 . 14 1 1 A 42 42 GLY CA C 42 44.667 44.775 -0.108 1
1 421 . 14 1 1 A 42 42 GLY HA2 H 42 4.124 4.102 0.022 1
1 422 . 14 1 1 A 42 42 GLY HA3 H 42 4.124 4.102 0.022 1
1 423 . 14 1 1 A 43 43 PRO CA C 43 63.273 62.819 0.454 1
1 424 . 14 1 1 A 43 43 PRO HA H 43 4.461 4.348 0.113 1
1 425 . 14 1 1 A 43 43 PRO CB C 43 32.217 32.389 -0.172 1
1 434 . 14 1 1 A 45 45 SER CA C 45 58.367 55.926 2.441 1
1 435 . 14 1 1 A 45 45 SER HA H 45 4.466 4.796 -0.330 1
1 436 . 14 1 1 A 45 45 SER CB C 45 63.999 65.775 -1.776 1
1 439 . 14 1 1 A 45 45 SER C C 45 173.901 174.948 -1.047 1
1 1 . 15 1 1 A 6 6 SER CA C 6 58.528 56.402 2.126 1
1 2 . 15 1 1 A 6 6 SER HA H 6 4.485 5.099 -0.614 1
1 3 . 15 1 1 A 6 6 SER CB C 6 63.865 65.941 -2.076 1
1 6 . 15 1 1 A 6 6 SER C C 6 175.149 174.705 0.444 1
1 7 . 15 1 1 A 7 7 GLY N N 7 110.926 109.075 1.851 1
1 8 . 15 1 1 A 7 7 GLY H H 7 8.464 8.184 0.280 1
1 9 . 15 1 1 A 7 7 GLY CA C 7 45.461 45.916 -0.455 1
1 10 . 15 1 1 A 7 7 GLY HA2 H 7 4.019 4.024 -0.005 1
1 11 . 15 1 1 A 7 7 GLY HA3 H 7 4.019 4.025 -0.006 1
1 12 . 15 1 1 A 7 7 GLY C C 7 174.546 174.080 0.466 1
1 13 . 15 1 1 A 8 8 THR N N 8 112.839 112.516 0.323 1
1 14 . 15 1 1 A 8 8 THR H H 8 8.154 7.846 0.308 1
1 15 . 15 1 1 A 8 8 THR CA C 8 61.923 60.534 1.389 1
1 16 . 15 1 1 A 8 8 THR HA H 8 4.357 4.576 -0.219 1
1 17 . 15 1 1 A 8 8 THR CB C 8 69.768 68.787 0.981 1
1 23 . 15 1 1 A 8 8 THR C C 8 175.302 174.614 0.688 1
1 24 . 15 1 1 A 9 9 GLY N N 9 111.223 112.140 -0.917 1
1 25 . 15 1 1 A 9 9 GLY H H 9 8.456 8.637 -0.181 1
1 26 . 15 1 1 A 9 9 GLY CA C 9 45.282 46.377 -1.095 1
1 27 . 15 1 1 A 9 9 GLY HA2 H 9 3.933 3.934 -0.001 1
1 28 . 15 1 1 A 9 9 GLY HA3 H 9 3.933 3.941 -0.008 1
1 29 . 15 1 1 A 9 9 GLY C C 9 173.949 174.295 -0.346 1
1 30 . 15 1 1 A 10 10 GLU N N 10 120.531 117.461 3.070 1
1 31 . 15 1 1 A 10 10 GLU H H 10 8.215 7.900 0.315 1
1 32 . 15 1 1 A 10 10 GLU CA C 10 56.445 55.481 0.964 1
1 33 . 15 1 1 A 10 10 GLU HA H 10 4.223 4.310 -0.087 1
1 34 . 15 1 1 A 10 10 GLU CB C 10 30.431 30.285 0.146 1
1 40 . 15 1 1 A 10 10 GLU C C 10 176.168 176.431 -0.263 1
1 41 . 15 1 1 A 11 11 ARG N N 11 122.264 124.430 -2.166 1
1 42 . 15 1 1 A 11 11 ARG H H 11 8.353 8.630 -0.277 1
1 43 . 15 1 1 A 11 11 ARG CA C 11 55.619 55.391 0.228 1
1 44 . 15 1 1 A 11 11 ARG HA H 11 4.214 4.463 -0.249 1
1 45 . 15 1 1 A 11 11 ARG CB C 11 30.650 30.674 -0.024 1
1 54 . 15 1 1 A 11 11 ARG C C 11 174.908 174.872 0.036 1
1 55 . 15 1 1 A 12 12 HIS N N 12 119.171 115.101 4.070 1
1 56 . 15 1 1 A 12 12 HIS H H 12 7.945 7.052 0.893 1
1 57 . 15 1 1 A 12 12 HIS CA C 12 55.289 54.688 0.601 1
1 58 . 15 1 1 A 12 12 HIS HA H 12 4.649 4.931 -0.282 1
1 59 . 15 1 1 A 12 12 HIS CB C 12 31.520 31.251 0.269 1
1 66 . 15 1 1 A 12 12 HIS C C 12 173.771 171.976 1.795 1
1 67 . 15 1 1 A 13 13 TYR N N 13 121.025 119.845 1.180 1
1 68 . 15 1 1 A 13 13 TYR H H 13 8.713 8.759 -0.046 1
1 69 . 15 1 1 A 13 13 TYR CA C 13 57.433 57.893 -0.460 1
1 70 . 15 1 1 A 13 13 TYR HA H 13 4.636 4.915 -0.279 1
1 71 . 15 1 1 A 13 13 TYR CB C 13 39.706 39.883 -0.177 1
1 82 . 15 1 1 A 13 13 TYR C C 13 174.850 175.945 -1.095 1
1 83 . 15 1 1 A 14 14 GLU N N 14 123.621 121.186 2.435 1
1 84 . 15 1 1 A 14 14 GLU H H 14 8.762 9.192 -0.430 1
1 85 . 15 1 1 A 14 14 GLU CA C 14 55.073 54.443 0.630 1
1 86 . 15 1 1 A 14 14 GLU HA H 14 4.949 5.426 -0.477 1
1 87 . 15 1 1 A 14 14 GLU CB C 14 32.760 33.278 -0.518 1
1 93 . 15 1 1 A 14 14 GLU C C 14 175.487 175.453 0.034 1
1 94 . 15 1 1 A 15 15 CYS N N 15 126.353 124.279 2.074 1
1 95 . 15 1 1 A 15 15 CYS H H 15 9.253 8.996 0.257 1
1 96 . 15 1 1 A 15 15 CYS CA C 15 59.508 59.114 0.394 1
1 97 . 15 1 1 A 15 15 CYS HA H 15 4.580 4.677 -0.097 1
1 98 . 15 1 1 A 15 15 CYS CB C 15 29.646 28.384 1.262 1
1 101 . 15 1 1 A 15 15 CYS C C 15 177.465 175.931 1.534 1
1 102 . 15 1 1 A 16 16 SER CA C 16 60.968 58.162 2.806 1
1 103 . 15 1 1 A 16 16 SER HA H 16 4.291 4.752 -0.461 1
1 104 . 15 1 1 A 16 16 SER CB C 16 63.017 62.739 0.278 1
1 107 . 15 1 1 A 16 16 SER C C 16 174.550 174.669 -0.119 1
1 108 . 15 1 1 A 17 17 GLU N N 17 122.749 120.021 2.728 1
1 109 . 15 1 1 A 17 17 GLU H H 17 8.679 8.004 0.675 1
1 110 . 15 1 1 A 17 17 GLU CA C 17 58.170 57.197 0.973 1
1 111 . 15 1 1 A 17 17 GLU HA H 17 4.252 4.408 -0.156 1
1 112 . 15 1 1 A 17 17 GLU CB C 17 29.693 31.581 -1.888 1
1 118 . 15 1 1 A 17 17 GLU C C 17 177.114 177.709 -0.595 1
1 119 . 15 1 1 A 18 18 CYS N N 18 114.770 114.697 0.073 1
1 120 . 15 1 1 A 18 18 CYS H H 18 7.892 8.092 -0.200 1
1 121 . 15 1 1 A 18 18 CYS CA C 18 58.423 59.750 -1.327 1
1 122 . 15 1 1 A 18 18 CYS HA H 18 5.160 4.678 0.482 1
1 123 . 15 1 1 A 18 18 CYS CB C 18 32.475 29.929 2.546 1
1 126 . 15 1 1 A 18 18 CYS C C 18 176.207 175.425 0.782 1
1 127 . 15 1 1 A 19 19 GLY N N 19 113.459 109.727 3.732 1
1 128 . 15 1 1 A 19 19 GLY H H 19 8.233 8.013 0.220 1
1 129 . 15 1 1 A 19 19 GLY CA C 19 46.185 45.453 0.732 1
1 130 . 15 1 1 A 19 19 GLY HA2 H 19 3.869 4.079 -0.210 1
1 131 . 15 1 1 A 19 19 GLY HA3 H 19 4.218 4.089 0.129 1
1 132 . 15 1 1 A 19 19 GLY C C 19 173.698 174.035 -0.337 1
1 133 . 15 1 1 A 20 20 LYS N N 20 122.669 119.062 3.607 1
1 134 . 15 1 1 A 20 20 LYS H H 20 7.913 7.866 0.047 1
1 135 . 15 1 1 A 20 20 LYS CA C 20 58.015 54.497 3.518 1
1 136 . 15 1 1 A 20 20 LYS HA H 20 3.946 4.622 -0.676 1
1 137 . 15 1 1 A 20 20 LYS CB C 20 33.818 34.400 -0.582 1
1 149 . 15 1 1 A 20 20 LYS C C 20 173.787 175.401 -1.614 1
1 150 . 15 1 1 A 21 21 ALA N N 21 123.558 120.502 3.056 1
1 151 . 15 1 1 A 21 21 ALA H H 21 7.862 8.027 -0.165 1
1 152 . 15 1 1 A 21 21 ALA CA C 21 50.537 51.173 -0.636 1
1 153 . 15 1 1 A 21 21 ALA HA H 21 5.010 5.280 -0.270 1
1 154 . 15 1 1 A 21 21 ALA CB C 21 21.863 22.351 -0.488 1
1 158 . 15 1 1 A 21 21 ALA C C 21 176.488 175.194 1.294 1
1 159 . 15 1 1 A 22 22 PHE N N 22 117.848 119.463 -1.615 1
1 160 . 15 1 1 A 22 22 PHE H H 22 8.649 9.549 -0.900 1
1 161 . 15 1 1 A 22 22 PHE CA C 22 57.125 56.754 0.371 1
1 162 . 15 1 1 A 22 22 PHE HA H 22 4.749 4.916 -0.167 1
1 163 . 15 1 1 A 22 22 PHE CB C 22 43.540 43.370 0.170 1
1 176 . 15 1 1 A 22 22 PHE C C 22 175.470 175.825 -0.355 1
1 177 . 15 1 1 A 23 23 ILE N N 23 118.637 123.604 -4.967 1
1 178 . 15 1 1 A 23 23 ILE H H 23 8.795 8.774 0.021 1
1 179 . 15 1 1 A 23 23 ILE CA C 23 62.569 63.270 -0.701 1
1 180 . 15 1 1 A 23 23 ILE HA H 23 4.413 4.243 0.170 1
1 181 . 15 1 1 A 23 23 ILE CB C 23 38.735 38.550 0.185 1
1 194 . 15 1 1 A 23 23 ILE C C 23 175.892 175.432 0.460 1
1 195 . 15 1 1 A 24 24 GLN N N 24 115.722 119.459 -3.737 1
1 196 . 15 1 1 A 24 24 GLN H H 24 7.552 7.991 -0.439 1
1 197 . 15 1 1 A 24 24 GLN CA C 24 54.181 54.438 -0.257 1
1 198 . 15 1 1 A 24 24 GLN HA H 24 4.813 4.923 -0.110 1
1 199 . 15 1 1 A 24 24 GLN CB C 24 31.481 31.479 0.002 1
1 208 . 15 1 1 A 24 24 GLN C C 24 175.651 175.688 -0.037 1
1 209 . 15 1 1 A 25 25 LYS N N 25 125.530 125.083 0.447 1
1 210 . 15 1 1 A 25 25 LYS H H 25 8.527 8.724 -0.197 1
1 211 . 15 1 1 A 25 25 LYS CA C 25 59.400 59.587 -0.187 1
1 212 . 15 1 1 A 25 25 LYS HA H 25 3.168 3.236 -0.068 1
1 213 . 15 1 1 A 25 25 LYS CB C 25 31.725 31.263 0.462 1
1 225 . 15 1 1 A 25 25 LYS C C 25 178.710 177.515 1.195 1
1 226 . 15 1 1 A 26 26 SER CA C 26 60.794 61.579 -0.785 1
1 227 . 15 1 1 A 26 26 SER HA H 26 4.049 4.008 0.041 1
1 228 . 15 1 1 A 26 26 SER CB C 26 61.478 63.088 -1.610 1
1 231 . 15 1 1 A 26 26 SER C C 26 177.149 177.283 -0.134 1
1 232 . 15 1 1 A 27 27 THR N N 27 118.548 117.528 1.020 1
1 233 . 15 1 1 A 27 27 THR H H 27 7.008 7.962 -0.954 1
1 234 . 15 1 1 A 27 27 THR CA C 27 65.197 66.850 -1.653 1
1 235 . 15 1 1 A 27 27 THR HA H 27 3.907 3.915 -0.008 1
1 236 . 15 1 1 A 27 27 THR CB C 27 67.801 68.369 -0.568 1
1 242 . 15 1 1 A 27 27 THR C C 27 176.751 175.819 0.932 1
1 243 . 15 1 1 A 28 28 LEU N N 28 123.662 121.357 2.305 1
1 244 . 15 1 1 A 28 28 LEU H H 28 7.093 7.535 -0.442 1
1 245 . 15 1 1 A 28 28 LEU CA C 28 58.213 57.428 0.785 1
1 246 . 15 1 1 A 28 28 LEU HA H 28 3.176 2.625 0.551 1
1 247 . 15 1 1 A 28 28 LEU CB C 28 39.863 41.190 -1.327 1
1 260 . 15 1 1 A 28 28 LEU C C 28 177.749 178.287 -0.538 1
1 261 . 15 1 1 A 29 29 SER N N 29 114.674 114.350 0.324 1
1 262 . 15 1 1 A 29 29 SER H H 29 8.358 7.891 0.467 1
1 263 . 15 1 1 A 29 29 SER CA C 29 61.767 61.629 0.138 1
1 264 . 15 1 1 A 29 29 SER HA H 29 4.257 4.030 0.227 1
1 265 . 15 1 1 A 29 29 SER CB C 29 62.473 62.832 -0.359 1
1 268 . 15 1 1 A 29 29 SER C C 29 177.197 177.212 -0.015 1
1 269 . 15 1 1 A 30 30 MET N N 30 119.515 119.644 -0.129 1
1 270 . 15 1 1 A 30 30 MET H H 30 7.554 7.862 -0.308 1
1 271 . 15 1 1 A 30 30 MET CA C 30 58.170 57.914 0.256 1
1 272 . 15 1 1 A 30 30 MET HA H 30 4.152 4.140 0.012 1
1 273 . 15 1 1 A 30 30 MET CB C 30 31.955 32.045 -0.090 1
1 283 . 15 1 1 A 30 30 MET C C 30 178.556 178.156 0.400 1
1 284 . 15 1 1 A 31 31 HIS N N 31 120.563 120.655 -0.092 1
1 285 . 15 1 1 A 31 31 HIS H H 31 7.889 7.971 -0.082 1
1 286 . 15 1 1 A 31 31 HIS CA C 31 59.232 58.873 0.359 1
1 287 . 15 1 1 A 31 31 HIS HA H 31 4.172 4.161 0.011 1
1 288 . 15 1 1 A 31 31 HIS CB C 31 28.113 30.092 -1.979 1
1 295 . 15 1 1 A 31 31 HIS C C 31 176.443 177.215 -0.772 1
1 296 . 15 1 1 A 32 32 GLN N N 32 115.497 117.834 -2.337 1
1 297 . 15 1 1 A 32 32 GLN H H 32 8.418 8.604 -0.186 1
1 298 . 15 1 1 A 32 32 GLN CA C 32 59.471 58.995 0.476 1
1 299 . 15 1 1 A 32 32 GLN HA H 32 3.685 3.961 -0.276 1
1 300 . 15 1 1 A 32 32 GLN CB C 32 28.425 28.252 0.173 1
1 309 . 15 1 1 A 32 32 GLN C C 32 177.567 178.502 -0.935 1
1 310 . 15 1 1 A 33 33 ARG N N 33 117.423 117.605 -0.182 1
1 311 . 15 1 1 A 33 33 ARG H H 33 7.210 8.082 -0.872 1
1 312 . 15 1 1 A 33 33 ARG CA C 33 59.089 58.802 0.287 1
1 313 . 15 1 1 A 33 33 ARG HA H 33 3.923 4.045 -0.122 1
1 314 . 15 1 1 A 33 33 ARG CB C 33 30.078 30.151 -0.073 1
1 322 . 15 1 1 A 33 33 ARG C C 33 178.760 177.805 0.955 1
1 323 . 15 1 1 A 34 34 ILE N N 34 116.545 115.927 0.618 1
1 324 . 15 1 1 A 34 34 ILE H H 34 7.752 7.683 0.069 1
1 325 . 15 1 1 A 34 34 ILE CA C 34 63.271 63.684 -0.413 1
1 326 . 15 1 1 A 34 34 ILE HA H 34 3.948 3.694 0.254 1
1 327 . 15 1 1 A 34 34 ILE CB C 34 37.597 37.161 0.436 1
1 340 . 15 1 1 A 34 34 ILE C C 34 177.960 177.407 0.553 1
1 341 . 15 1 1 A 35 35 HIS N N 35 117.514 120.043 -2.529 1
1 342 . 15 1 1 A 35 35 HIS H H 35 7.073 7.561 -0.488 1
1 343 . 15 1 1 A 35 35 HIS CA C 35 55.599 58.267 -2.668 1
1 344 . 15 1 1 A 35 35 HIS HA H 35 4.745 4.434 0.311 1
1 345 . 15 1 1 A 35 35 HIS CB C 35 28.499 30.844 -2.345 1
1 352 . 15 1 1 A 35 35 HIS C C 35 175.514 176.219 -0.705 1
1 353 . 15 1 1 A 36 36 ARG N N 36 118.480 114.937 3.543 1
1 354 . 15 1 1 A 36 36 ARG H H 36 7.543 7.854 -0.311 1
1 355 . 15 1 1 A 36 36 ARG CA C 36 56.414 55.123 1.291 1
1 356 . 15 1 1 A 36 36 ARG HA H 36 4.409 4.325 0.084 1
1 357 . 15 1 1 A 36 36 ARG CB C 36 30.891 29.456 1.435 1
1 366 . 15 1 1 A 36 36 ARG C C 36 176.661 176.602 0.059 1
1 367 . 15 1 1 A 37 37 GLY N N 37 108.655 109.503 -0.848 1
1 368 . 15 1 1 A 37 37 GLY H H 37 8.122 8.176 -0.054 1
1 369 . 15 1 1 A 37 37 GLY CA C 37 45.393 44.447 0.946 1
1 370 . 15 1 1 A 37 37 GLY HA2 H 37 3.969 3.976 -0.007 1
1 371 . 15 1 1 A 37 37 GLY HA3 H 37 3.969 3.985 -0.016 1
1 372 . 15 1 1 A 37 37 GLY C C 37 174.101 172.712 1.389 1
1 373 . 15 1 1 A 38 38 GLU N N 38 120.249 122.741 -2.492 1
1 374 . 15 1 1 A 38 38 GLU H H 38 8.035 8.364 -0.329 1
1 375 . 15 1 1 A 38 38 GLU CA C 38 56.257 55.468 0.789 1
1 376 . 15 1 1 A 38 38 GLU HA H 38 4.280 4.585 -0.305 1
1 377 . 15 1 1 A 38 38 GLU CB C 38 30.620 30.705 -0.085 1
1 383 . 15 1 1 A 38 38 GLU C C 38 176.208 175.011 1.197 1
1 384 . 15 1 1 A 39 39 LYS N N 39 123.351 126.540 -3.189 1
1 385 . 15 1 1 A 39 39 LYS H H 39 8.388 8.736 -0.348 1
1 386 . 15 1 1 A 39 39 LYS CA C 39 54.120 52.748 1.372 1
1 387 . 15 1 1 A 39 39 LYS HA H 39 4.601 4.767 -0.166 1
1 388 . 15 1 1 A 39 39 LYS CB C 39 32.529 33.693 -1.164 1
1 400 . 15 1 1 A 39 39 LYS C C 39 174.534 174.279 0.255 1
1 401 . 15 1 1 A 40 40 PRO CA C 40 63.272 62.351 0.921 1
1 402 . 15 1 1 A 40 40 PRO HA H 40 4.457 4.587 -0.130 1
1 403 . 15 1 1 A 40 40 PRO CB C 40 32.172 32.543 -0.371 1
1 412 . 15 1 1 A 40 40 PRO C C 40 176.936 176.966 -0.030 1
1 413 . 15 1 1 A 41 41 SER N N 41 116.372 115.271 1.101 1
1 414 . 15 1 1 A 41 41 SER H H 41 8.453 8.505 -0.052 1
1 415 . 15 1 1 A 41 41 SER CA C 41 58.319 59.398 -1.079 1
1 416 . 15 1 1 A 41 41 SER HA H 41 4.479 4.359 0.120 1
1 417 . 15 1 1 A 41 41 SER CB C 41 63.968 63.395 0.573 1
1 419 . 15 1 1 A 41 41 SER C C 41 174.592 174.483 0.109 1
1 420 . 15 1 1 A 42 42 GLY CA C 42 44.667 45.492 -0.825 1
1 421 . 15 1 1 A 42 42 GLY HA2 H 42 4.124 4.392 -0.268 1
1 422 . 15 1 1 A 42 42 GLY HA3 H 42 4.124 4.392 -0.268 1
1 423 . 15 1 1 A 43 43 PRO CA C 43 63.273 63.432 -0.159 1
1 424 . 15 1 1 A 43 43 PRO HA H 43 4.461 4.487 -0.026 1
1 425 . 15 1 1 A 43 43 PRO CB C 43 32.217 32.095 0.122 1
1 434 . 15 1 1 A 45 45 SER CA C 45 58.367 58.827 -0.460 1
1 435 . 15 1 1 A 45 45 SER HA H 45 4.466 4.359 0.107 1
1 436 . 15 1 1 A 45 45 SER CB C 45 63.999 63.790 0.209 1
1 439 . 15 1 1 A 45 45 SER C C 45 173.901 175.463 -1.562 1
1 1 . 16 1 1 A 6 6 SER CA C 6 58.528 56.813 1.715 1
1 2 . 16 1 1 A 6 6 SER HA H 6 4.485 4.979 -0.494 1
1 3 . 16 1 1 A 6 6 SER CB C 6 63.865 64.650 -0.785 1
1 6 . 16 1 1 A 6 6 SER C C 6 175.149 173.184 1.965 1
1 7 . 16 1 1 A 7 7 GLY N N 7 110.926 114.088 -3.162 1
1 8 . 16 1 1 A 7 7 GLY H H 7 8.464 8.445 0.019 1
1 9 . 16 1 1 A 7 7 GLY CA C 7 45.461 45.574 -0.113 1
1 10 . 16 1 1 A 7 7 GLY HA2 H 7 4.019 4.226 -0.207 1
1 11 . 16 1 1 A 7 7 GLY HA3 H 7 4.019 4.227 -0.208 1
1 12 . 16 1 1 A 7 7 GLY C C 7 174.546 173.835 0.711 1
1 13 . 16 1 1 A 8 8 THR N N 8 112.839 113.738 -0.899 1
1 14 . 16 1 1 A 8 8 THR H H 8 8.154 8.657 -0.503 1
1 15 . 16 1 1 A 8 8 THR CA C 8 61.923 62.691 -0.768 1
1 16 . 16 1 1 A 8 8 THR HA H 8 4.357 4.394 -0.037 1
1 17 . 16 1 1 A 8 8 THR CB C 8 69.768 69.587 0.181 1
1 23 . 16 1 1 A 8 8 THR C C 8 175.302 175.208 0.094 1
1 24 . 16 1 1 A 9 9 GLY N N 9 111.223 110.124 1.099 1
1 25 . 16 1 1 A 9 9 GLY H H 9 8.456 7.628 0.828 1
1 26 . 16 1 1 A 9 9 GLY CA C 9 45.282 45.343 -0.061 1
1 27 . 16 1 1 A 9 9 GLY HA2 H 9 3.933 4.062 -0.129 1
1 28 . 16 1 1 A 9 9 GLY HA3 H 9 3.933 4.066 -0.133 1
1 29 . 16 1 1 A 9 9 GLY C C 9 173.949 174.701 -0.752 1
1 30 . 16 1 1 A 10 10 GLU N N 10 120.531 121.310 -0.779 1
1 31 . 16 1 1 A 10 10 GLU H H 10 8.215 8.176 0.039 1
1 32 . 16 1 1 A 10 10 GLU CA C 10 56.445 56.647 -0.202 1
1 33 . 16 1 1 A 10 10 GLU HA H 10 4.223 4.095 0.128 1
1 34 . 16 1 1 A 10 10 GLU CB C 10 30.431 30.106 0.325 1
1 40 . 16 1 1 A 10 10 GLU C C 10 176.168 175.813 0.355 1
1 41 . 16 1 1 A 11 11 ARG N N 11 122.264 122.256 0.008 1
1 42 . 16 1 1 A 11 11 ARG H H 11 8.353 8.473 -0.120 1
1 43 . 16 1 1 A 11 11 ARG CA C 11 55.619 57.158 -1.539 1
1 44 . 16 1 1 A 11 11 ARG HA H 11 4.214 4.353 -0.139 1
1 45 . 16 1 1 A 11 11 ARG CB C 11 30.650 31.618 -0.968 1
1 54 . 16 1 1 A 11 11 ARG C C 11 174.908 175.887 -0.979 1
1 55 . 16 1 1 A 12 12 HIS N N 12 119.171 116.336 2.835 1
1 56 . 16 1 1 A 12 12 HIS H H 12 7.945 6.987 0.958 1
1 57 . 16 1 1 A 12 12 HIS CA C 12 55.289 54.989 0.300 1
1 58 . 16 1 1 A 12 12 HIS HA H 12 4.649 4.535 0.114 1
1 59 . 16 1 1 A 12 12 HIS CB C 12 31.520 31.300 0.220 1
1 66 . 16 1 1 A 12 12 HIS C C 12 173.771 174.301 -0.530 1
1 67 . 16 1 1 A 13 13 TYR N N 13 121.025 119.138 1.887 1
1 68 . 16 1 1 A 13 13 TYR H H 13 8.713 9.152 -0.439 1
1 69 . 16 1 1 A 13 13 TYR CA C 13 57.433 56.728 0.705 1
1 70 . 16 1 1 A 13 13 TYR HA H 13 4.636 5.004 -0.368 1
1 71 . 16 1 1 A 13 13 TYR CB C 13 39.706 38.229 1.477 1
1 82 . 16 1 1 A 13 13 TYR C C 13 174.850 175.887 -1.037 1
1 83 . 16 1 1 A 14 14 GLU N N 14 123.621 122.345 1.276 1
1 84 . 16 1 1 A 14 14 GLU H H 14 8.762 8.764 -0.002 1
1 85 . 16 1 1 A 14 14 GLU CA C 14 55.073 55.250 -0.177 1
1 86 . 16 1 1 A 14 14 GLU HA H 14 4.949 5.252 -0.303 1
1 87 . 16 1 1 A 14 14 GLU CB C 14 32.760 31.972 0.788 1
1 93 . 16 1 1 A 14 14 GLU C C 14 175.487 175.428 0.059 1
1 94 . 16 1 1 A 15 15 CYS N N 15 126.353 122.732 3.621 1
1 95 . 16 1 1 A 15 15 CYS H H 15 9.253 9.293 -0.040 1
1 96 . 16 1 1 A 15 15 CYS CA C 15 59.508 60.052 -0.544 1
1 97 . 16 1 1 A 15 15 CYS HA H 15 4.580 4.626 -0.046 1
1 98 . 16 1 1 A 15 15 CYS CB C 15 29.646 28.855 0.791 1
1 101 . 16 1 1 A 15 15 CYS C C 15 177.465 175.018 2.447 1
1 102 . 16 1 1 A 16 16 SER CA C 16 60.968 59.412 1.556 1
1 103 . 16 1 1 A 16 16 SER HA H 16 4.291 4.623 -0.332 1
1 104 . 16 1 1 A 16 16 SER CB C 16 63.017 64.678 -1.661 1
1 107 . 16 1 1 A 16 16 SER C C 16 174.550 175.309 -0.759 1
1 108 . 16 1 1 A 17 17 GLU N N 17 122.749 121.694 1.055 1
1 109 . 16 1 1 A 17 17 GLU H H 17 8.679 8.104 0.575 1
1 110 . 16 1 1 A 17 17 GLU CA C 17 58.170 58.688 -0.518 1
1 111 . 16 1 1 A 17 17 GLU HA H 17 4.252 3.894 0.358 1
1 112 . 16 1 1 A 17 17 GLU CB C 17 29.693 28.909 0.784 1
1 118 . 16 1 1 A 17 17 GLU C C 17 177.114 178.295 -1.181 1
1 119 . 16 1 1 A 18 18 CYS N N 18 114.770 114.867 -0.097 1
1 120 . 16 1 1 A 18 18 CYS H H 18 7.892 7.884 0.008 1
1 121 . 16 1 1 A 18 18 CYS CA C 18 58.423 60.048 -1.625 1
1 122 . 16 1 1 A 18 18 CYS HA H 18 5.160 4.530 0.630 1
1 123 . 16 1 1 A 18 18 CYS CB C 18 32.475 29.242 3.233 1
1 126 . 16 1 1 A 18 18 CYS C C 18 176.207 175.072 1.135 1
1 127 . 16 1 1 A 19 19 GLY N N 19 113.459 110.164 3.295 1
1 128 . 16 1 1 A 19 19 GLY H H 19 8.233 8.002 0.231 1
1 129 . 16 1 1 A 19 19 GLY CA C 19 46.185 44.992 1.193 1
1 130 . 16 1 1 A 19 19 GLY HA2 H 19 3.869 4.075 -0.206 1
1 131 . 16 1 1 A 19 19 GLY HA3 H 19 4.218 4.088 0.130 1
1 132 . 16 1 1 A 19 19 GLY C C 19 173.698 174.493 -0.795 1
1 133 . 16 1 1 A 20 20 LYS N N 20 122.669 120.425 2.244 1
1 134 . 16 1 1 A 20 20 LYS H H 20 7.913 7.333 0.580 1
1 135 . 16 1 1 A 20 20 LYS CA C 20 58.015 56.346 1.669 1
1 136 . 16 1 1 A 20 20 LYS HA H 20 3.946 4.162 -0.216 1
1 137 . 16 1 1 A 20 20 LYS CB C 20 33.818 33.464 0.354 1
1 149 . 16 1 1 A 20 20 LYS C C 20 173.787 174.935 -1.148 1
1 150 . 16 1 1 A 21 21 ALA N N 21 123.558 121.738 1.820 1
1 151 . 16 1 1 A 21 21 ALA H H 21 7.862 7.953 -0.091 1
1 152 . 16 1 1 A 21 21 ALA CA C 21 50.537 49.991 0.546 1
1 153 . 16 1 1 A 21 21 ALA HA H 21 5.010 5.199 -0.189 1
1 154 . 16 1 1 A 21 21 ALA CB C 21 21.863 22.280 -0.417 1
1 158 . 16 1 1 A 21 21 ALA C C 21 176.488 175.266 1.222 1
1 159 . 16 1 1 A 22 22 PHE N N 22 117.848 117.262 0.586 1
1 160 . 16 1 1 A 22 22 PHE H H 22 8.649 8.438 0.211 1
1 161 . 16 1 1 A 22 22 PHE CA C 22 57.125 56.713 0.412 1
1 162 . 16 1 1 A 22 22 PHE HA H 22 4.749 4.991 -0.242 1
1 163 . 16 1 1 A 22 22 PHE CB C 22 43.540 43.859 -0.319 1
1 176 . 16 1 1 A 22 22 PHE C C 22 175.470 175.584 -0.114 1
1 177 . 16 1 1 A 23 23 ILE N N 23 118.637 123.441 -4.804 1
1 178 . 16 1 1 A 23 23 ILE H H 23 8.795 8.833 -0.038 1
1 179 . 16 1 1 A 23 23 ILE CA C 23 62.569 63.029 -0.460 1
1 180 . 16 1 1 A 23 23 ILE HA H 23 4.413 4.354 0.059 1
1 181 . 16 1 1 A 23 23 ILE CB C 23 38.735 38.813 -0.078 1
1 194 . 16 1 1 A 23 23 ILE C C 23 175.892 175.959 -0.067 1
1 195 . 16 1 1 A 24 24 GLN N N 24 115.722 119.822 -4.100 1
1 196 . 16 1 1 A 24 24 GLN H H 24 7.552 7.809 -0.257 1
1 197 . 16 1 1 A 24 24 GLN CA C 24 54.181 54.786 -0.605 1
1 198 . 16 1 1 A 24 24 GLN HA H 24 4.813 4.711 0.102 1
1 199 . 16 1 1 A 24 24 GLN CB C 24 31.481 30.282 1.199 1
1 208 . 16 1 1 A 24 24 GLN C C 24 175.651 176.447 -0.796 1
1 209 . 16 1 1 A 25 25 LYS N N 25 125.530 124.242 1.288 1
1 210 . 16 1 1 A 25 25 LYS H H 25 8.527 8.875 -0.348 1
1 211 . 16 1 1 A 25 25 LYS CA C 25 59.400 59.008 0.392 1
1 212 . 16 1 1 A 25 25 LYS HA H 25 3.168 3.538 -0.370 1
1 213 . 16 1 1 A 25 25 LYS CB C 25 31.725 31.467 0.258 1
1 225 . 16 1 1 A 25 25 LYS C C 25 178.710 178.262 0.448 1
1 226 . 16 1 1 A 26 26 SER CA C 26 60.794 62.233 -1.439 1
1 227 . 16 1 1 A 26 26 SER HA H 26 4.049 4.020 0.029 1
1 228 . 16 1 1 A 26 26 SER CB C 26 61.478 63.132 -1.654 1
1 231 . 16 1 1 A 26 26 SER C C 26 177.149 176.052 1.097 1
1 232 . 16 1 1 A 27 27 THR N N 27 118.548 117.527 1.021 1
1 233 . 16 1 1 A 27 27 THR H H 27 7.008 7.948 -0.940 1
1 234 . 16 1 1 A 27 27 THR CA C 27 65.197 67.041 -1.844 1
1 235 . 16 1 1 A 27 27 THR HA H 27 3.907 3.900 0.007 1
1 236 . 16 1 1 A 27 27 THR CB C 27 67.801 68.412 -0.611 1
1 242 . 16 1 1 A 27 27 THR C C 27 176.751 175.894 0.857 1
1 243 . 16 1 1 A 28 28 LEU N N 28 123.662 121.553 2.109 1
1 244 . 16 1 1 A 28 28 LEU H H 28 7.093 7.684 -0.591 1
1 245 . 16 1 1 A 28 28 LEU CA C 28 58.213 57.498 0.715 1
1 246 . 16 1 1 A 28 28 LEU HA H 28 3.176 2.977 0.199 1
1 247 . 16 1 1 A 28 28 LEU CB C 28 39.863 41.197 -1.334 1
1 260 . 16 1 1 A 28 28 LEU C C 28 177.749 178.482 -0.733 1
1 261 . 16 1 1 A 29 29 SER N N 29 114.674 116.168 -1.494 1
1 262 . 16 1 1 A 29 29 SER H H 29 8.358 7.612 0.746 1
1 263 . 16 1 1 A 29 29 SER CA C 29 61.767 62.055 -0.288 1
1 264 . 16 1 1 A 29 29 SER HA H 29 4.257 3.966 0.291 1
1 265 . 16 1 1 A 29 29 SER CB C 29 62.473 62.549 -0.076 1
1 268 . 16 1 1 A 29 29 SER C C 29 177.197 176.895 0.302 1
1 269 . 16 1 1 A 30 30 MET N N 30 119.515 119.386 0.129 1
1 270 . 16 1 1 A 30 30 MET H H 30 7.554 8.009 -0.455 1
1 271 . 16 1 1 A 30 30 MET CA C 30 58.170 57.963 0.207 1
1 272 . 16 1 1 A 30 30 MET HA H 30 4.152 4.145 0.007 1
1 273 . 16 1 1 A 30 30 MET CB C 30 31.955 31.841 0.114 1
1 283 . 16 1 1 A 30 30 MET C C 30 178.556 178.402 0.154 1
1 284 . 16 1 1 A 31 31 HIS N N 31 120.563 120.080 0.483 1
1 285 . 16 1 1 A 31 31 HIS H H 31 7.889 8.028 -0.139 1
1 286 . 16 1 1 A 31 31 HIS CA C 31 59.232 58.980 0.252 1
1 287 . 16 1 1 A 31 31 HIS HA H 31 4.172 4.157 0.015 1
1 288 . 16 1 1 A 31 31 HIS CB C 31 28.113 30.038 -1.925 1
1 295 . 16 1 1 A 31 31 HIS C C 31 176.443 177.230 -0.787 1
1 296 . 16 1 1 A 32 32 GLN N N 32 115.497 117.455 -1.958 1
1 297 . 16 1 1 A 32 32 GLN H H 32 8.418 8.610 -0.192 1
1 298 . 16 1 1 A 32 32 GLN CA C 32 59.471 59.128 0.343 1
1 299 . 16 1 1 A 32 32 GLN HA H 32 3.685 3.897 -0.212 1
1 300 . 16 1 1 A 32 32 GLN CB C 32 28.425 28.381 0.044 1
1 309 . 16 1 1 A 32 32 GLN C C 32 177.567 178.408 -0.841 1
1 310 . 16 1 1 A 33 33 ARG N N 33 117.423 117.936 -0.513 1
1 311 . 16 1 1 A 33 33 ARG H H 33 7.210 7.674 -0.464 1
1 312 . 16 1 1 A 33 33 ARG CA C 33 59.089 58.765 0.324 1
1 313 . 16 1 1 A 33 33 ARG HA H 33 3.923 4.058 -0.135 1
1 314 . 16 1 1 A 33 33 ARG CB C 33 30.078 30.103 -0.025 1
1 322 . 16 1 1 A 33 33 ARG C C 33 178.760 177.798 0.962 1
1 323 . 16 1 1 A 34 34 ILE N N 34 116.545 115.887 0.658 1
1 324 . 16 1 1 A 34 34 ILE H H 34 7.752 7.779 -0.027 1
1 325 . 16 1 1 A 34 34 ILE CA C 34 63.271 63.634 -0.363 1
1 326 . 16 1 1 A 34 34 ILE HA H 34 3.948 3.701 0.247 1
1 327 . 16 1 1 A 34 34 ILE CB C 34 37.597 37.243 0.354 1
1 340 . 16 1 1 A 34 34 ILE C C 34 177.960 177.162 0.798 1
1 341 . 16 1 1 A 35 35 HIS N N 35 117.514 119.757 -2.243 1
1 342 . 16 1 1 A 35 35 HIS H H 35 7.073 7.880 -0.807 1
1 343 . 16 1 1 A 35 35 HIS CA C 35 55.599 58.744 -3.145 1
1 344 . 16 1 1 A 35 35 HIS HA H 35 4.745 4.427 0.318 1
1 345 . 16 1 1 A 35 35 HIS CB C 35 28.499 31.265 -2.766 1
1 352 . 16 1 1 A 35 35 HIS C C 35 175.514 176.306 -0.792 1
1 353 . 16 1 1 A 36 36 ARG N N 36 118.480 114.393 4.087 1
1 354 . 16 1 1 A 36 36 ARG H H 36 7.543 8.036 -0.493 1
1 355 . 16 1 1 A 36 36 ARG CA C 36 56.414 55.197 1.217 1
1 356 . 16 1 1 A 36 36 ARG HA H 36 4.409 4.289 0.120 1
1 357 . 16 1 1 A 36 36 ARG CB C 36 30.891 29.701 1.190 1
1 366 . 16 1 1 A 36 36 ARG C C 36 176.661 176.329 0.332 1
1 367 . 16 1 1 A 37 37 GLY N N 37 108.655 108.728 -0.073 1
1 368 . 16 1 1 A 37 37 GLY H H 37 8.122 7.888 0.234 1
1 369 . 16 1 1 A 37 37 GLY CA C 37 45.393 46.922 -1.529 1
1 370 . 16 1 1 A 37 37 GLY HA2 H 37 3.969 3.885 0.084 1
1 371 . 16 1 1 A 37 37 GLY HA3 H 37 3.969 3.894 0.075 1
1 372 . 16 1 1 A 37 37 GLY C C 37 174.101 173.559 0.542 1
1 373 . 16 1 1 A 38 38 GLU N N 38 120.249 123.141 -2.892 1
1 374 . 16 1 1 A 38 38 GLU H H 38 8.035 7.869 0.166 1
1 375 . 16 1 1 A 38 38 GLU CA C 38 56.257 56.368 -0.111 1
1 376 . 16 1 1 A 38 38 GLU HA H 38 4.280 4.282 -0.002 1
1 377 . 16 1 1 A 38 38 GLU CB C 38 30.620 30.914 -0.294 1
1 383 . 16 1 1 A 38 38 GLU C C 38 176.208 176.344 -0.136 1
1 384 . 16 1 1 A 39 39 LYS N N 39 123.351 120.895 2.456 1
1 385 . 16 1 1 A 39 39 LYS H H 39 8.388 8.421 -0.033 1
1 386 . 16 1 1 A 39 39 LYS CA C 39 54.120 53.611 0.509 1
1 387 . 16 1 1 A 39 39 LYS HA H 39 4.601 4.701 -0.100 1
1 388 . 16 1 1 A 39 39 LYS CB C 39 32.529 31.968 0.561 1
1 400 . 16 1 1 A 39 39 LYS C C 39 174.534 174.459 0.075 1
1 401 . 16 1 1 A 40 40 PRO CA C 40 63.272 62.337 0.935 1
1 402 . 16 1 1 A 40 40 PRO HA H 40 4.457 4.519 -0.062 1
1 403 . 16 1 1 A 40 40 PRO CB C 40 32.172 32.874 -0.702 1
1 412 . 16 1 1 A 40 40 PRO C C 40 176.936 177.502 -0.566 1
1 413 . 16 1 1 A 41 41 SER N N 41 116.372 116.097 0.275 1
1 414 . 16 1 1 A 41 41 SER H H 41 8.453 8.703 -0.250 1
1 415 . 16 1 1 A 41 41 SER CA C 41 58.319 62.210 -3.891 1
1 416 . 16 1 1 A 41 41 SER HA H 41 4.479 4.166 0.313 1
1 417 . 16 1 1 A 41 41 SER CB C 41 63.968 62.929 1.039 1
1 419 . 16 1 1 A 41 41 SER C C 41 174.592 176.127 -1.535 1
1 420 . 16 1 1 A 42 42 GLY CA C 42 44.667 45.273 -0.606 1
1 421 . 16 1 1 A 42 42 GLY HA2 H 42 4.124 4.036 0.088 1
1 422 . 16 1 1 A 42 42 GLY HA3 H 42 4.124 4.036 0.088 1
1 423 . 16 1 1 A 43 43 PRO CA C 43 63.273 62.886 0.387 1
1 424 . 16 1 1 A 43 43 PRO HA H 43 4.461 4.458 0.003 1
1 425 . 16 1 1 A 43 43 PRO CB C 43 32.217 32.514 -0.297 1
1 434 . 16 1 1 A 45 45 SER CA C 45 58.367 56.676 1.691 1
1 435 . 16 1 1 A 45 45 SER HA H 45 4.466 4.868 -0.402 1
1 436 . 16 1 1 A 45 45 SER CB C 45 63.999 63.253 0.746 1
1 439 . 16 1 1 A 45 45 SER C C 45 173.901 174.077 -0.176 1
1 1 . 17 1 1 A 6 6 SER CA C 6 58.528 58.113 0.415 1
1 2 . 17 1 1 A 6 6 SER HA H 6 4.485 4.744 -0.259 1
1 3 . 17 1 1 A 6 6 SER CB C 6 63.865 62.865 1.000 1
1 6 . 17 1 1 A 6 6 SER C C 6 175.149 174.970 0.179 1
1 7 . 17 1 1 A 7 7 GLY N N 7 110.926 108.999 1.927 1
1 8 . 17 1 1 A 7 7 GLY H H 7 8.464 7.590 0.874 1
1 9 . 17 1 1 A 7 7 GLY CA C 7 45.461 46.126 -0.665 1
1 10 . 17 1 1 A 7 7 GLY HA2 H 7 4.019 4.002 0.017 1
1 11 . 17 1 1 A 7 7 GLY HA3 H 7 4.019 4.003 0.016 1
1 12 . 17 1 1 A 7 7 GLY C C 7 174.546 174.140 0.406 1
1 13 . 17 1 1 A 8 8 THR N N 8 112.839 116.177 -3.338 1
1 14 . 17 1 1 A 8 8 THR H H 8 8.154 7.817 0.337 1
1 15 . 17 1 1 A 8 8 THR CA C 8 61.923 62.895 -0.972 1
1 16 . 17 1 1 A 8 8 THR HA H 8 4.357 4.203 0.154 1
1 17 . 17 1 1 A 8 8 THR CB C 8 69.768 69.092 0.676 1
1 23 . 17 1 1 A 8 8 THR C C 8 175.302 174.566 0.736 1
1 24 . 17 1 1 A 9 9 GLY N N 9 111.223 113.530 -2.307 1
1 25 . 17 1 1 A 9 9 GLY H H 9 8.456 8.375 0.081 1
1 26 . 17 1 1 A 9 9 GLY CA C 9 45.282 45.272 0.010 1
1 27 . 17 1 1 A 9 9 GLY HA2 H 9 3.933 4.122 -0.189 1
1 28 . 17 1 1 A 9 9 GLY HA3 H 9 3.933 4.129 -0.196 1
1 29 . 17 1 1 A 9 9 GLY C C 9 173.949 173.304 0.645 1
1 30 . 17 1 1 A 10 10 GLU N N 10 120.531 119.682 0.849 1
1 31 . 17 1 1 A 10 10 GLU H H 10 8.215 8.013 0.202 1
1 32 . 17 1 1 A 10 10 GLU CA C 10 56.445 54.913 1.532 1
1 33 . 17 1 1 A 10 10 GLU HA H 10 4.223 4.698 -0.475 1
1 34 . 17 1 1 A 10 10 GLU CB C 10 30.431 31.803 -1.372 1
1 40 . 17 1 1 A 10 10 GLU C C 10 176.168 175.103 1.065 1
1 41 . 17 1 1 A 11 11 ARG N N 11 122.264 123.253 -0.989 1
1 42 . 17 1 1 A 11 11 ARG H H 11 8.353 8.556 -0.203 1
1 43 . 17 1 1 A 11 11 ARG CA C 11 55.619 54.144 1.475 1
1 44 . 17 1 1 A 11 11 ARG HA H 11 4.214 4.677 -0.463 1
1 45 . 17 1 1 A 11 11 ARG CB C 11 30.650 34.420 -3.770 1
1 54 . 17 1 1 A 11 11 ARG C C 11 174.908 174.915 -0.007 1
1 55 . 17 1 1 A 12 12 HIS N N 12 119.171 118.165 1.006 1
1 56 . 17 1 1 A 12 12 HIS H H 12 7.945 8.096 -0.151 1
1 57 . 17 1 1 A 12 12 HIS CA C 12 55.289 53.935 1.354 1
1 58 . 17 1 1 A 12 12 HIS HA H 12 4.649 5.073 -0.424 1
1 59 . 17 1 1 A 12 12 HIS CB C 12 31.520 32.824 -1.304 1
1 66 . 17 1 1 A 12 12 HIS C C 12 173.771 174.408 -0.637 1
1 67 . 17 1 1 A 13 13 TYR N N 13 121.025 119.652 1.373 1
1 68 . 17 1 1 A 13 13 TYR H H 13 8.713 8.663 0.050 1
1 69 . 17 1 1 A 13 13 TYR CA C 13 57.433 57.929 -0.496 1
1 70 . 17 1 1 A 13 13 TYR HA H 13 4.636 4.779 -0.143 1
1 71 . 17 1 1 A 13 13 TYR CB C 13 39.706 38.182 1.524 1
1 82 . 17 1 1 A 13 13 TYR C C 13 174.850 175.372 -0.522 1
1 83 . 17 1 1 A 14 14 GLU N N 14 123.621 124.731 -1.110 1
1 84 . 17 1 1 A 14 14 GLU H H 14 8.762 9.113 -0.351 1
1 85 . 17 1 1 A 14 14 GLU CA C 14 55.073 55.440 -0.367 1
1 86 . 17 1 1 A 14 14 GLU HA H 14 4.949 5.176 -0.227 1
1 87 . 17 1 1 A 14 14 GLU CB C 14 32.760 31.909 0.851 1
1 93 . 17 1 1 A 14 14 GLU C C 14 175.487 176.186 -0.699 1
1 94 . 17 1 1 A 15 15 CYS N N 15 126.353 124.089 2.264 1
1 95 . 17 1 1 A 15 15 CYS H H 15 9.253 8.989 0.264 1
1 96 . 17 1 1 A 15 15 CYS CA C 15 59.508 59.684 -0.176 1
1 97 . 17 1 1 A 15 15 CYS HA H 15 4.580 4.697 -0.117 1
1 98 . 17 1 1 A 15 15 CYS CB C 15 29.646 28.206 1.440 1
1 101 . 17 1 1 A 15 15 CYS C C 15 177.465 176.271 1.194 1
1 102 . 17 1 1 A 16 16 SER CA C 16 60.968 58.126 2.842 1
1 103 . 17 1 1 A 16 16 SER HA H 16 4.291 4.646 -0.355 1
1 104 . 17 1 1 A 16 16 SER CB C 16 63.017 63.062 -0.045 1
1 107 . 17 1 1 A 16 16 SER C C 16 174.550 175.209 -0.659 1
1 108 . 17 1 1 A 17 17 GLU N N 17 122.749 121.739 1.010 1
1 109 . 17 1 1 A 17 17 GLU H H 17 8.679 7.965 0.714 1
1 110 . 17 1 1 A 17 17 GLU CA C 17 58.170 57.042 1.128 1
1 111 . 17 1 1 A 17 17 GLU HA H 17 4.252 4.400 -0.148 1
1 112 . 17 1 1 A 17 17 GLU CB C 17 29.693 31.385 -1.692 1
1 118 . 17 1 1 A 17 17 GLU C C 17 177.114 177.579 -0.465 1
1 119 . 17 1 1 A 18 18 CYS N N 18 114.770 114.850 -0.080 1
1 120 . 17 1 1 A 18 18 CYS H H 18 7.892 8.128 -0.236 1
1 121 . 17 1 1 A 18 18 CYS CA C 18 58.423 59.771 -1.348 1
1 122 . 17 1 1 A 18 18 CYS HA H 18 5.160 4.653 0.507 1
1 123 . 17 1 1 A 18 18 CYS CB C 18 32.475 29.830 2.645 1
1 126 . 17 1 1 A 18 18 CYS C C 18 176.207 175.350 0.857 1
1 127 . 17 1 1 A 19 19 GLY N N 19 113.459 109.720 3.739 1
1 128 . 17 1 1 A 19 19 GLY H H 19 8.233 7.978 0.255 1
1 129 . 17 1 1 A 19 19 GLY CA C 19 46.185 45.184 1.001 1
1 130 . 17 1 1 A 19 19 GLY HA2 H 19 3.869 4.064 -0.195 1
1 131 . 17 1 1 A 19 19 GLY HA3 H 19 4.218 4.072 0.146 1
1 132 . 17 1 1 A 19 19 GLY C C 19 173.698 174.189 -0.491 1
1 133 . 17 1 1 A 20 20 LYS N N 20 122.669 121.264 1.405 1
1 134 . 17 1 1 A 20 20 LYS H H 20 7.913 7.846 0.067 1
1 135 . 17 1 1 A 20 20 LYS CA C 20 58.015 55.116 2.899 1
1 136 . 17 1 1 A 20 20 LYS HA H 20 3.946 4.607 -0.661 1
1 137 . 17 1 1 A 20 20 LYS CB C 20 33.818 34.226 -0.408 1
1 149 . 17 1 1 A 20 20 LYS C C 20 173.787 174.939 -1.152 1
1 150 . 17 1 1 A 21 21 ALA N N 21 123.558 123.891 -0.333 1
1 151 . 17 1 1 A 21 21 ALA H H 21 7.862 7.926 -0.064 1
1 152 . 17 1 1 A 21 21 ALA CA C 21 50.537 50.745 -0.208 1
1 153 . 17 1 1 A 21 21 ALA HA H 21 5.010 4.936 0.074 1
1 154 . 17 1 1 A 21 21 ALA CB C 21 21.863 21.885 -0.022 1
1 158 . 17 1 1 A 21 21 ALA C C 21 176.488 175.038 1.450 1
1 159 . 17 1 1 A 22 22 PHE N N 22 117.848 119.342 -1.494 1
1 160 . 17 1 1 A 22 22 PHE H H 22 8.649 9.269 -0.620 1
1 161 . 17 1 1 A 22 22 PHE CA C 22 57.125 56.173 0.952 1
1 162 . 17 1 1 A 22 22 PHE HA H 22 4.749 4.961 -0.212 1
1 163 . 17 1 1 A 22 22 PHE CB C 22 43.540 42.572 0.968 1
1 176 . 17 1 1 A 22 22 PHE C C 22 175.470 176.024 -0.554 1
1 177 . 17 1 1 A 23 23 ILE N N 23 118.637 124.262 -5.625 1
1 178 . 17 1 1 A 23 23 ILE H H 23 8.795 8.651 0.144 1
1 179 . 17 1 1 A 23 23 ILE CA C 23 62.569 63.074 -0.505 1
1 180 . 17 1 1 A 23 23 ILE HA H 23 4.413 4.231 0.182 1
1 181 . 17 1 1 A 23 23 ILE CB C 23 38.735 38.654 0.081 1
1 194 . 17 1 1 A 23 23 ILE C C 23 175.892 175.661 0.231 1
1 195 . 17 1 1 A 24 24 GLN N N 24 115.722 119.058 -3.336 1
1 196 . 17 1 1 A 24 24 GLN H H 24 7.552 7.922 -0.370 1
1 197 . 17 1 1 A 24 24 GLN CA C 24 54.181 54.299 -0.118 1
1 198 . 17 1 1 A 24 24 GLN HA H 24 4.813 4.820 -0.007 1
1 199 . 17 1 1 A 24 24 GLN CB C 24 31.481 31.202 0.279 1
1 208 . 17 1 1 A 24 24 GLN C C 24 175.651 175.819 -0.168 1
1 209 . 17 1 1 A 25 25 LYS N N 25 125.530 123.458 2.072 1
1 210 . 17 1 1 A 25 25 LYS H H 25 8.527 8.467 0.060 1
1 211 . 17 1 1 A 25 25 LYS CA C 25 59.400 57.880 1.520 1
1 212 . 17 1 1 A 25 25 LYS HA H 25 3.168 3.197 -0.029 1
1 213 . 17 1 1 A 25 25 LYS CB C 25 31.725 31.469 0.256 1
1 225 . 17 1 1 A 25 25 LYS C C 25 178.710 177.895 0.815 1
1 226 . 17 1 1 A 26 26 SER CA C 26 60.794 62.235 -1.441 1
1 227 . 17 1 1 A 26 26 SER HA H 26 4.049 4.016 0.033 1
1 228 . 17 1 1 A 26 26 SER CB C 26 61.478 62.966 -1.488 1
1 231 . 17 1 1 A 26 26 SER C C 26 177.149 176.161 0.988 1
1 232 . 17 1 1 A 27 27 THR N N 27 118.548 116.404 2.144 1
1 233 . 17 1 1 A 27 27 THR H H 27 7.008 8.013 -1.005 1
1 234 . 17 1 1 A 27 27 THR CA C 27 65.197 66.808 -1.611 1
1 235 . 17 1 1 A 27 27 THR HA H 27 3.907 3.854 0.053 1
1 236 . 17 1 1 A 27 27 THR CB C 27 67.801 68.541 -0.740 1
1 242 . 17 1 1 A 27 27 THR C C 27 176.751 175.953 0.798 1
1 243 . 17 1 1 A 28 28 LEU N N 28 123.662 121.643 2.019 1
1 244 . 17 1 1 A 28 28 LEU H H 28 7.093 7.831 -0.738 1
1 245 . 17 1 1 A 28 28 LEU CA C 28 58.213 57.403 0.810 1
1 246 . 17 1 1 A 28 28 LEU HA H 28 3.176 2.630 0.546 1
1 247 . 17 1 1 A 28 28 LEU CB C 28 39.863 41.205 -1.342 1
1 260 . 17 1 1 A 28 28 LEU C C 28 177.749 178.405 -0.656 1
1 261 . 17 1 1 A 29 29 SER N N 29 114.674 116.197 -1.523 1
1 262 . 17 1 1 A 29 29 SER H H 29 8.358 7.656 0.702 1
1 263 . 17 1 1 A 29 29 SER CA C 29 61.767 62.004 -0.237 1
1 264 . 17 1 1 A 29 29 SER HA H 29 4.257 4.035 0.222 1
1 265 . 17 1 1 A 29 29 SER CB C 29 62.473 62.761 -0.288 1
1 268 . 17 1 1 A 29 29 SER C C 29 177.197 176.906 0.291 1
1 269 . 17 1 1 A 30 30 MET N N 30 119.515 119.821 -0.306 1
1 270 . 17 1 1 A 30 30 MET H H 30 7.554 7.795 -0.241 1
1 271 . 17 1 1 A 30 30 MET CA C 30 58.170 57.877 0.293 1
1 272 . 17 1 1 A 30 30 MET HA H 30 4.152 4.133 0.019 1
1 273 . 17 1 1 A 30 30 MET CB C 30 31.955 32.029 -0.074 1
1 283 . 17 1 1 A 30 30 MET C C 30 178.556 178.111 0.445 1
1 284 . 17 1 1 A 31 31 HIS N N 31 120.563 120.747 -0.184 1
1 285 . 17 1 1 A 31 31 HIS H H 31 7.889 8.143 -0.254 1
1 286 . 17 1 1 A 31 31 HIS CA C 31 59.232 59.006 0.226 1
1 287 . 17 1 1 A 31 31 HIS HA H 31 4.172 4.123 0.049 1
1 288 . 17 1 1 A 31 31 HIS CB C 31 28.113 30.000 -1.887 1
1 295 . 17 1 1 A 31 31 HIS C C 31 176.443 177.291 -0.848 1
1 296 . 17 1 1 A 32 32 GLN N N 32 115.497 117.767 -2.270 1
1 297 . 17 1 1 A 32 32 GLN H H 32 8.418 8.524 -0.106 1
1 298 . 17 1 1 A 32 32 GLN CA C 32 59.471 58.910 0.561 1
1 299 . 17 1 1 A 32 32 GLN HA H 32 3.685 3.813 -0.128 1
1 300 . 17 1 1 A 32 32 GLN CB C 32 28.425 28.255 0.170 1
1 309 . 17 1 1 A 32 32 GLN C C 32 177.567 178.314 -0.747 1
1 310 . 17 1 1 A 33 33 ARG N N 33 117.423 117.707 -0.284 1
1 311 . 17 1 1 A 33 33 ARG H H 33 7.210 8.049 -0.839 1
1 312 . 17 1 1 A 33 33 ARG CA C 33 59.089 58.508 0.581 1
1 313 . 17 1 1 A 33 33 ARG HA H 33 3.923 4.034 -0.111 1
1 314 . 17 1 1 A 33 33 ARG CB C 33 30.078 29.983 0.095 1
1 322 . 17 1 1 A 33 33 ARG C C 33 178.760 177.424 1.336 1
1 323 . 17 1 1 A 34 34 ILE N N 34 116.545 115.793 0.752 1
1 324 . 17 1 1 A 34 34 ILE H H 34 7.752 7.721 0.031 1
1 325 . 17 1 1 A 34 34 ILE CA C 34 63.271 62.899 0.372 1
1 326 . 17 1 1 A 34 34 ILE HA H 34 3.948 3.842 0.106 1
1 327 . 17 1 1 A 34 34 ILE CB C 34 37.597 37.173 0.424 1
1 340 . 17 1 1 A 34 34 ILE C C 34 177.960 176.614 1.346 1
1 341 . 17 1 1 A 35 35 HIS N N 35 117.514 119.479 -1.965 1
1 342 . 17 1 1 A 35 35 HIS H H 35 7.073 7.890 -0.817 1
1 343 . 17 1 1 A 35 35 HIS CA C 35 55.599 57.759 -2.160 1
1 344 . 17 1 1 A 35 35 HIS HA H 35 4.745 4.543 0.202 1
1 345 . 17 1 1 A 35 35 HIS CB C 35 28.499 31.404 -2.905 1
1 352 . 17 1 1 A 35 35 HIS C C 35 175.514 177.496 -1.982 1
1 353 . 17 1 1 A 36 36 ARG N N 36 118.480 118.215 0.265 1
1 354 . 17 1 1 A 36 36 ARG H H 36 7.543 8.039 -0.496 1
1 355 . 17 1 1 A 36 36 ARG CA C 36 56.414 57.967 -1.553 1
1 356 . 17 1 1 A 36 36 ARG HA H 36 4.409 4.068 0.341 1
1 357 . 17 1 1 A 36 36 ARG CB C 36 30.891 29.763 1.128 1
1 366 . 17 1 1 A 36 36 ARG C C 36 176.661 176.757 -0.096 1
1 367 . 17 1 1 A 37 37 GLY N N 37 108.655 106.702 1.953 1
1 368 . 17 1 1 A 37 37 GLY H H 37 8.122 6.934 1.188 1
1 369 . 17 1 1 A 37 37 GLY CA C 37 45.393 45.516 -0.123 1
1 370 . 17 1 1 A 37 37 GLY HA2 H 37 3.969 4.077 -0.108 1
1 371 . 17 1 1 A 37 37 GLY HA3 H 37 3.969 4.086 -0.117 1
1 372 . 17 1 1 A 37 37 GLY C C 37 174.101 172.583 1.518 1
1 373 . 17 1 1 A 38 38 GLU N N 38 120.249 125.117 -4.868 1
1 374 . 17 1 1 A 38 38 GLU H H 38 8.035 8.855 -0.820 1
1 375 . 17 1 1 A 38 38 GLU CA C 38 56.257 56.428 -0.171 1
1 376 . 17 1 1 A 38 38 GLU HA H 38 4.280 4.861 -0.581 1
1 377 . 17 1 1 A 38 38 GLU CB C 38 30.620 31.764 -1.144 1
1 383 . 17 1 1 A 38 38 GLU C C 38 176.208 174.720 1.488 1
1 384 . 17 1 1 A 39 39 LYS N N 39 123.351 125.258 -1.907 1
1 385 . 17 1 1 A 39 39 LYS H H 39 8.388 8.705 -0.317 1
1 386 . 17 1 1 A 39 39 LYS CA C 39 54.120 53.041 1.079 1
1 387 . 17 1 1 A 39 39 LYS HA H 39 4.601 4.792 -0.191 1
1 388 . 17 1 1 A 39 39 LYS CB C 39 32.529 34.900 -2.371 1
1 400 . 17 1 1 A 39 39 LYS C C 39 174.534 173.974 0.560 1
1 401 . 17 1 1 A 40 40 PRO CA C 40 63.272 62.523 0.749 1
1 402 . 17 1 1 A 40 40 PRO HA H 40 4.457 4.718 -0.261 1
1 403 . 17 1 1 A 40 40 PRO CB C 40 32.172 31.503 0.669 1
1 412 . 17 1 1 A 40 40 PRO C C 40 176.936 177.063 -0.127 1
1 413 . 17 1 1 A 41 41 SER N N 41 116.372 119.784 -3.412 1
1 414 . 17 1 1 A 41 41 SER H H 41 8.453 8.406 0.047 1
1 415 . 17 1 1 A 41 41 SER CA C 41 58.319 60.250 -1.931 1
1 416 . 17 1 1 A 41 41 SER HA H 41 4.479 4.298 0.181 1
1 417 . 17 1 1 A 41 41 SER CB C 41 63.968 63.892 0.076 1
1 419 . 17 1 1 A 41 41 SER C C 41 174.592 174.360 0.232 1
1 420 . 17 1 1 A 42 42 GLY CA C 42 44.667 44.936 -0.269 1
1 421 . 17 1 1 A 42 42 GLY HA2 H 42 4.124 4.071 0.053 1
1 422 . 17 1 1 A 42 42 GLY HA3 H 42 4.124 4.071 0.053 1
1 423 . 17 1 1 A 43 43 PRO CA C 43 63.273 64.390 -1.117 1
1 424 . 17 1 1 A 43 43 PRO HA H 43 4.461 4.457 0.004 1
1 425 . 17 1 1 A 43 43 PRO CB C 43 32.217 31.697 0.520 1
1 434 . 17 1 1 A 45 45 SER CA C 45 58.367 57.858 0.509 1
1 435 . 17 1 1 A 45 45 SER HA H 45 4.466 4.766 -0.300 1
1 436 . 17 1 1 A 45 45 SER CB C 45 63.999 62.561 1.438 1
1 439 . 17 1 1 A 45 45 SER C C 45 173.901 174.382 -0.481 1
1 1 . 18 1 1 A 6 6 SER CA C 6 58.528 56.305 2.223 1
1 2 . 18 1 1 A 6 6 SER HA H 6 4.485 5.216 -0.731 1
1 3 . 18 1 1 A 6 6 SER CB C 6 63.865 65.080 -1.215 1
1 6 . 18 1 1 A 6 6 SER C C 6 175.149 173.372 1.777 1
1 7 . 18 1 1 A 7 7 GLY N N 7 110.926 114.709 -3.783 1
1 8 . 18 1 1 A 7 7 GLY H H 7 8.464 8.984 -0.520 1
1 9 . 18 1 1 A 7 7 GLY CA C 7 45.461 44.565 0.896 1
1 10 . 18 1 1 A 7 7 GLY HA2 H 7 4.019 4.332 -0.313 1
1 11 . 18 1 1 A 7 7 GLY HA3 H 7 4.019 4.340 -0.321 1
1 12 . 18 1 1 A 7 7 GLY C C 7 174.546 174.572 -0.026 1
1 13 . 18 1 1 A 8 8 THR N N 8 112.839 117.727 -4.888 1
1 14 . 18 1 1 A 8 8 THR H H 8 8.154 8.773 -0.619 1
1 15 . 18 1 1 A 8 8 THR CA C 8 61.923 66.117 -4.194 1
1 16 . 18 1 1 A 8 8 THR HA H 8 4.357 4.225 0.132 1
1 17 . 18 1 1 A 8 8 THR CB C 8 69.768 69.118 0.650 1
1 23 . 18 1 1 A 8 8 THR C C 8 175.302 175.244 0.058 1
1 24 . 18 1 1 A 9 9 GLY N N 9 111.223 108.084 3.139 1
1 25 . 18 1 1 A 9 9 GLY H H 9 8.456 8.132 0.324 1
1 26 . 18 1 1 A 9 9 GLY CA C 9 45.282 46.447 -1.165 1
1 27 . 18 1 1 A 9 9 GLY HA2 H 9 3.933 3.867 0.066 1
1 28 . 18 1 1 A 9 9 GLY HA3 H 9 3.933 3.924 0.009 1
1 29 . 18 1 1 A 9 9 GLY C C 9 173.949 174.133 -0.184 1
1 30 . 18 1 1 A 10 10 GLU N N 10 120.531 125.211 -4.680 1
1 31 . 18 1 1 A 10 10 GLU H H 10 8.215 8.115 0.100 1
1 32 . 18 1 1 A 10 10 GLU CA C 10 56.445 58.171 -1.726 1
1 33 . 18 1 1 A 10 10 GLU HA H 10 4.223 4.151 0.072 1
1 34 . 18 1 1 A 10 10 GLU CB C 10 30.431 30.259 0.172 1
1 40 . 18 1 1 A 10 10 GLU C C 10 176.168 178.796 -2.628 1
1 41 . 18 1 1 A 11 11 ARG N N 11 122.264 118.897 3.367 1
1 42 . 18 1 1 A 11 11 ARG H H 11 8.353 7.827 0.526 1
1 43 . 18 1 1 A 11 11 ARG CA C 11 55.619 58.926 -3.307 1
1 44 . 18 1 1 A 11 11 ARG HA H 11 4.214 4.055 0.159 1
1 45 . 18 1 1 A 11 11 ARG CB C 11 30.650 29.932 0.718 1
1 54 . 18 1 1 A 11 11 ARG C C 11 174.908 176.372 -1.464 1
1 55 . 18 1 1 A 12 12 HIS N N 12 119.171 114.380 4.791 1
1 56 . 18 1 1 A 12 12 HIS H H 12 7.945 7.359 0.586 1
1 57 . 18 1 1 A 12 12 HIS CA C 12 55.289 53.988 1.301 1
1 58 . 18 1 1 A 12 12 HIS HA H 12 4.649 4.984 -0.335 1
1 59 . 18 1 1 A 12 12 HIS CB C 12 31.520 32.988 -1.468 1
1 66 . 18 1 1 A 12 12 HIS C C 12 173.771 173.260 0.511 1
1 67 . 18 1 1 A 13 13 TYR N N 13 121.025 120.496 0.529 1
1 68 . 18 1 1 A 13 13 TYR H H 13 8.713 8.782 -0.069 1
1 69 . 18 1 1 A 13 13 TYR CA C 13 57.433 59.430 -1.997 1
1 70 . 18 1 1 A 13 13 TYR HA H 13 4.636 4.638 -0.002 1
1 71 . 18 1 1 A 13 13 TYR CB C 13 39.706 38.796 0.910 1
1 82 . 18 1 1 A 13 13 TYR C C 13 174.850 176.309 -1.459 1
1 83 . 18 1 1 A 14 14 GLU N N 14 123.621 123.064 0.557 1
1 84 . 18 1 1 A 14 14 GLU H H 14 8.762 9.209 -0.447 1
1 85 . 18 1 1 A 14 14 GLU CA C 14 55.073 54.510 0.563 1
1 86 . 18 1 1 A 14 14 GLU HA H 14 4.949 5.130 -0.181 1
1 87 . 18 1 1 A 14 14 GLU CB C 14 32.760 33.136 -0.376 1
1 93 . 18 1 1 A 14 14 GLU C C 14 175.487 175.717 -0.230 1
1 94 . 18 1 1 A 15 15 CYS N N 15 126.353 123.886 2.467 1
1 95 . 18 1 1 A 15 15 CYS H H 15 9.253 9.487 -0.234 1
1 96 . 18 1 1 A 15 15 CYS CA C 15 59.508 59.737 -0.229 1
1 97 . 18 1 1 A 15 15 CYS HA H 15 4.580 4.620 -0.040 1
1 98 . 18 1 1 A 15 15 CYS CB C 15 29.646 28.466 1.180 1
1 101 . 18 1 1 A 15 15 CYS C C 15 177.465 176.263 1.202 1
1 102 . 18 1 1 A 16 16 SER CA C 16 60.968 60.043 0.925 1
1 103 . 18 1 1 A 16 16 SER HA H 16 4.291 4.390 -0.099 1
1 104 . 18 1 1 A 16 16 SER CB C 16 63.017 63.111 -0.094 1
1 107 . 18 1 1 A 16 16 SER C C 16 174.550 176.221 -1.671 1
1 108 . 18 1 1 A 17 17 GLU N N 17 122.749 120.080 2.669 1
1 109 . 18 1 1 A 17 17 GLU H H 17 8.679 7.413 1.266 1
1 110 . 18 1 1 A 17 17 GLU CA C 17 58.170 58.619 -0.449 1
1 111 . 18 1 1 A 17 17 GLU HA H 17 4.252 4.039 0.213 1
1 112 . 18 1 1 A 17 17 GLU CB C 17 29.693 29.616 0.077 1
1 118 . 18 1 1 A 17 17 GLU C C 17 177.114 178.362 -1.248 1
1 119 . 18 1 1 A 18 18 CYS N N 18 114.770 114.963 -0.193 1
1 120 . 18 1 1 A 18 18 CYS H H 18 7.892 7.799 0.093 1
1 121 . 18 1 1 A 18 18 CYS CA C 18 58.423 60.010 -1.587 1
1 122 . 18 1 1 A 18 18 CYS HA H 18 5.160 4.482 0.678 1
1 123 . 18 1 1 A 18 18 CYS CB C 18 32.475 29.122 3.353 1
1 126 . 18 1 1 A 18 18 CYS C C 18 176.207 175.179 1.028 1
1 127 . 18 1 1 A 19 19 GLY N N 19 113.459 110.200 3.259 1
1 128 . 18 1 1 A 19 19 GLY H H 19 8.233 8.104 0.129 1
1 129 . 18 1 1 A 19 19 GLY CA C 19 46.185 45.003 1.182 1
1 130 . 18 1 1 A 19 19 GLY HA2 H 19 3.869 4.103 -0.234 1
1 131 . 18 1 1 A 19 19 GLY HA3 H 19 4.218 4.125 0.093 1
1 132 . 18 1 1 A 19 19 GLY C C 19 173.698 174.638 -0.940 1
1 133 . 18 1 1 A 20 20 LYS N N 20 122.669 122.614 0.055 1
1 134 . 18 1 1 A 20 20 LYS H H 20 7.913 7.734 0.179 1
1 135 . 18 1 1 A 20 20 LYS CA C 20 58.015 56.075 1.940 1
1 136 . 18 1 1 A 20 20 LYS HA H 20 3.946 4.230 -0.284 1
1 137 . 18 1 1 A 20 20 LYS CB C 20 33.818 33.165 0.653 1
1 149 . 18 1 1 A 20 20 LYS C C 20 173.787 175.735 -1.948 1
1 150 . 18 1 1 A 21 21 ALA N N 21 123.558 128.660 -5.102 1
1 151 . 18 1 1 A 21 21 ALA H H 21 7.862 8.532 -0.670 1
1 152 . 18 1 1 A 21 21 ALA CA C 21 50.537 50.385 0.152 1
1 153 . 18 1 1 A 21 21 ALA HA H 21 5.010 5.564 -0.554 1
1 154 . 18 1 1 A 21 21 ALA CB C 21 21.863 21.491 0.372 1
1 158 . 18 1 1 A 21 21 ALA C C 21 176.488 176.363 0.125 1
1 159 . 18 1 1 A 22 22 PHE N N 22 117.848 117.730 0.118 1
1 160 . 18 1 1 A 22 22 PHE H H 22 8.649 9.205 -0.556 1
1 161 . 18 1 1 A 22 22 PHE CA C 22 57.125 56.412 0.713 1
1 162 . 18 1 1 A 22 22 PHE HA H 22 4.749 4.837 -0.088 1
1 163 . 18 1 1 A 22 22 PHE CB C 22 43.540 42.142 1.398 1
1 176 . 18 1 1 A 22 22 PHE C C 22 175.470 175.913 -0.443 1
1 177 . 18 1 1 A 23 23 ILE N N 23 118.637 124.833 -6.196 1
1 178 . 18 1 1 A 23 23 ILE H H 23 8.795 8.689 0.106 1
1 179 . 18 1 1 A 23 23 ILE CA C 23 62.569 64.342 -1.773 1
1 180 . 18 1 1 A 23 23 ILE HA H 23 4.413 4.098 0.315 1
1 181 . 18 1 1 A 23 23 ILE CB C 23 38.735 37.878 0.857 1
1 194 . 18 1 1 A 23 23 ILE C C 23 175.892 175.682 0.210 1
1 195 . 18 1 1 A 24 24 GLN N N 24 115.722 119.802 -4.080 1
1 196 . 18 1 1 A 24 24 GLN H H 24 7.552 8.014 -0.462 1
1 197 . 18 1 1 A 24 24 GLN CA C 24 54.181 54.844 -0.663 1
1 198 . 18 1 1 A 24 24 GLN HA H 24 4.813 4.596 0.217 1
1 199 . 18 1 1 A 24 24 GLN CB C 24 31.481 30.227 1.254 1
1 208 . 18 1 1 A 24 24 GLN C C 24 175.651 176.117 -0.466 1
1 209 . 18 1 1 A 25 25 LYS N N 25 125.530 124.151 1.379 1
1 210 . 18 1 1 A 25 25 LYS H H 25 8.527 8.684 -0.157 1
1 211 . 18 1 1 A 25 25 LYS CA C 25 59.400 59.035 0.365 1
1 212 . 18 1 1 A 25 25 LYS HA H 25 3.168 2.966 0.202 1
1 213 . 18 1 1 A 25 25 LYS CB C 25 31.725 31.508 0.217 1
1 225 . 18 1 1 A 25 25 LYS C C 25 178.710 177.524 1.186 1
1 226 . 18 1 1 A 26 26 SER CA C 26 60.794 61.569 -0.775 1
1 227 . 18 1 1 A 26 26 SER HA H 26 4.049 4.026 0.023 1
1 228 . 18 1 1 A 26 26 SER CB C 26 61.478 63.152 -1.674 1
1 231 . 18 1 1 A 26 26 SER C C 26 177.149 176.988 0.161 1
1 232 . 18 1 1 A 27 27 THR N N 27 118.548 116.826 1.722 1
1 233 . 18 1 1 A 27 27 THR H H 27 7.008 8.027 -1.019 1
1 234 . 18 1 1 A 27 27 THR CA C 27 65.197 66.406 -1.209 1
1 235 . 18 1 1 A 27 27 THR HA H 27 3.907 3.981 -0.074 1
1 236 . 18 1 1 A 27 27 THR CB C 27 67.801 68.860 -1.059 1
1 242 . 18 1 1 A 27 27 THR C C 27 176.751 176.431 0.320 1
1 243 . 18 1 1 A 28 28 LEU N N 28 123.662 122.026 1.636 1
1 244 . 18 1 1 A 28 28 LEU H H 28 7.093 7.549 -0.456 1
1 245 . 18 1 1 A 28 28 LEU CA C 28 58.213 56.981 1.232 1
1 246 . 18 1 1 A 28 28 LEU HA H 28 3.176 2.959 0.217 1
1 247 . 18 1 1 A 28 28 LEU CB C 28 39.863 41.490 -1.627 1
1 260 . 18 1 1 A 28 28 LEU C C 28 177.749 178.008 -0.259 1
1 261 . 18 1 1 A 29 29 SER N N 29 114.674 114.688 -0.014 1
1 262 . 18 1 1 A 29 29 SER H H 29 8.358 7.724 0.634 1
1 263 . 18 1 1 A 29 29 SER CA C 29 61.767 61.574 0.193 1
1 264 . 18 1 1 A 29 29 SER HA H 29 4.257 3.996 0.261 1
1 265 . 18 1 1 A 29 29 SER CB C 29 62.473 62.925 -0.452 1
1 268 . 18 1 1 A 29 29 SER C C 29 177.197 176.871 0.326 1
1 269 . 18 1 1 A 30 30 MET N N 30 119.515 119.540 -0.025 1
1 270 . 18 1 1 A 30 30 MET H H 30 7.554 8.514 -0.960 1
1 271 . 18 1 1 A 30 30 MET CA C 30 58.170 57.476 0.694 1
1 272 . 18 1 1 A 30 30 MET HA H 30 4.152 4.247 -0.095 1
1 273 . 18 1 1 A 30 30 MET CB C 30 31.955 32.474 -0.519 1
1 283 . 18 1 1 A 30 30 MET C C 30 178.556 178.221 0.335 1
1 284 . 18 1 1 A 31 31 HIS N N 31 120.563 120.475 0.088 1
1 285 . 18 1 1 A 31 31 HIS H H 31 7.889 8.243 -0.354 1
1 286 . 18 1 1 A 31 31 HIS CA C 31 59.232 58.789 0.443 1
1 287 . 18 1 1 A 31 31 HIS HA H 31 4.172 4.154 0.018 1
1 288 . 18 1 1 A 31 31 HIS CB C 31 28.113 29.995 -1.882 1
1 295 . 18 1 1 A 31 31 HIS C C 31 176.443 177.315 -0.872 1
1 296 . 18 1 1 A 32 32 GLN N N 32 115.497 117.499 -2.002 1
1 297 . 18 1 1 A 32 32 GLN H H 32 8.418 8.500 -0.082 1
1 298 . 18 1 1 A 32 32 GLN CA C 32 59.471 59.056 0.415 1
1 299 . 18 1 1 A 32 32 GLN HA H 32 3.685 3.811 -0.126 1
1 300 . 18 1 1 A 32 32 GLN CB C 32 28.425 28.303 0.122 1
1 309 . 18 1 1 A 32 32 GLN C C 32 177.567 178.347 -0.780 1
1 310 . 18 1 1 A 33 33 ARG N N 33 117.423 117.696 -0.273 1
1 311 . 18 1 1 A 33 33 ARG H H 33 7.210 8.077 -0.867 1
1 312 . 18 1 1 A 33 33 ARG CA C 33 59.089 58.695 0.394 1
1 313 . 18 1 1 A 33 33 ARG HA H 33 3.923 4.045 -0.122 1
1 314 . 18 1 1 A 33 33 ARG CB C 33 30.078 30.049 0.029 1
1 322 . 18 1 1 A 33 33 ARG C C 33 178.760 177.741 1.019 1
1 323 . 18 1 1 A 34 34 ILE N N 34 116.545 115.752 0.793 1
1 324 . 18 1 1 A 34 34 ILE H H 34 7.752 7.903 -0.151 1
1 325 . 18 1 1 A 34 34 ILE CA C 34 63.271 63.489 -0.218 1
1 326 . 18 1 1 A 34 34 ILE HA H 34 3.948 3.730 0.218 1
1 327 . 18 1 1 A 34 34 ILE CB C 34 37.597 37.242 0.355 1
1 340 . 18 1 1 A 34 34 ILE C C 34 177.960 176.533 1.427 1
1 341 . 18 1 1 A 35 35 HIS N N 35 117.514 119.113 -1.599 1
1 342 . 18 1 1 A 35 35 HIS H H 35 7.073 7.846 -0.773 1
1 343 . 18 1 1 A 35 35 HIS CA C 35 55.599 55.454 0.145 1
1 344 . 18 1 1 A 35 35 HIS HA H 35 4.745 4.663 0.082 1
1 345 . 18 1 1 A 35 35 HIS CB C 35 28.499 29.381 -0.882 1
1 352 . 18 1 1 A 35 35 HIS C C 35 175.514 174.347 1.167 1
1 353 . 18 1 1 A 36 36 ARG N N 36 118.480 118.799 -0.319 1
1 354 . 18 1 1 A 36 36 ARG H H 36 7.543 8.112 -0.569 1
1 355 . 18 1 1 A 36 36 ARG CA C 36 56.414 54.992 1.422 1
1 356 . 18 1 1 A 36 36 ARG HA H 36 4.409 4.494 -0.085 1
1 357 . 18 1 1 A 36 36 ARG CB C 36 30.891 31.151 -0.260 1
1 366 . 18 1 1 A 36 36 ARG C C 36 176.661 176.398 0.263 1
1 367 . 18 1 1 A 37 37 GLY N N 37 108.655 114.412 -5.757 1
1 368 . 18 1 1 A 37 37 GLY H H 37 8.122 8.424 -0.302 1
1 369 . 18 1 1 A 37 37 GLY CA C 37 45.393 45.319 0.074 1
1 370 . 18 1 1 A 37 37 GLY HA2 H 37 3.969 4.022 -0.053 1
1 371 . 18 1 1 A 37 37 GLY HA3 H 37 3.969 4.028 -0.059 1
1 372 . 18 1 1 A 37 37 GLY C C 37 174.101 173.340 0.761 1
1 373 . 18 1 1 A 38 38 GLU N N 38 120.249 124.784 -4.535 1
1 374 . 18 1 1 A 38 38 GLU H H 38 8.035 8.473 -0.438 1
1 375 . 18 1 1 A 38 38 GLU CA C 38 56.257 54.544 1.713 1
1 376 . 18 1 1 A 38 38 GLU HA H 38 4.280 4.904 -0.624 1
1 377 . 18 1 1 A 38 38 GLU CB C 38 30.620 33.176 -2.556 1
1 383 . 18 1 1 A 38 38 GLU C C 38 176.208 174.275 1.933 1
1 384 . 18 1 1 A 39 39 LYS N N 39 123.351 125.422 -2.071 1
1 385 . 18 1 1 A 39 39 LYS H H 39 8.388 8.598 -0.210 1
1 386 . 18 1 1 A 39 39 LYS CA C 39 54.120 53.787 0.333 1
1 387 . 18 1 1 A 39 39 LYS HA H 39 4.601 4.644 -0.043 1
1 388 . 18 1 1 A 39 39 LYS CB C 39 32.529 33.836 -1.307 1
1 400 . 18 1 1 A 39 39 LYS C C 39 174.534 174.833 -0.299 1
1 401 . 18 1 1 A 40 40 PRO CA C 40 63.272 62.758 0.514 1
1 402 . 18 1 1 A 40 40 PRO HA H 40 4.457 4.722 -0.265 1
1 403 . 18 1 1 A 40 40 PRO CB C 40 32.172 31.815 0.357 1
1 412 . 18 1 1 A 40 40 PRO C C 40 176.936 176.042 0.894 1
1 413 . 18 1 1 A 41 41 SER N N 41 116.372 114.782 1.590 1
1 414 . 18 1 1 A 41 41 SER H H 41 8.453 8.540 -0.087 1
1 415 . 18 1 1 A 41 41 SER CA C 41 58.319 56.601 1.718 1
1 416 . 18 1 1 A 41 41 SER HA H 41 4.479 5.267 -0.788 1
1 417 . 18 1 1 A 41 41 SER CB C 41 63.968 65.361 -1.393 1
1 419 . 18 1 1 A 41 41 SER C C 41 174.592 173.979 0.613 1
1 420 . 18 1 1 A 42 42 GLY CA C 42 44.667 44.243 0.424 1
1 421 . 18 1 1 A 42 42 GLY HA2 H 42 4.124 4.074 0.050 1
1 422 . 18 1 1 A 42 42 GLY HA3 H 42 4.124 4.075 0.049 1
1 423 . 18 1 1 A 43 43 PRO CA C 43 63.273 64.049 -0.776 1
1 424 . 18 1 1 A 43 43 PRO HA H 43 4.461 4.477 -0.016 1
1 425 . 18 1 1 A 43 43 PRO CB C 43 32.217 31.933 0.284 1
1 434 . 18 1 1 A 45 45 SER CA C 45 58.367 60.061 -1.694 1
1 435 . 18 1 1 A 45 45 SER HA H 45 4.466 4.308 0.158 1
1 436 . 18 1 1 A 45 45 SER CB C 45 63.999 64.385 -0.386 1
1 439 . 18 1 1 A 45 45 SER C C 45 173.901 175.549 -1.648 1
1 1 . 19 1 1 A 6 6 SER CA C 6 58.528 57.208 1.320 1
1 2 . 19 1 1 A 6 6 SER HA H 6 4.485 4.714 -0.229 1
1 3 . 19 1 1 A 6 6 SER CB C 6 63.865 63.181 0.684 1
1 6 . 19 1 1 A 6 6 SER C C 6 175.149 173.351 1.798 1
1 7 . 19 1 1 A 7 7 GLY N N 7 110.926 113.316 -2.390 1
1 8 . 19 1 1 A 7 7 GLY H H 7 8.464 8.288 0.176 1
1 9 . 19 1 1 A 7 7 GLY CA C 7 45.461 45.547 -0.086 1
1 10 . 19 1 1 A 7 7 GLY HA2 H 7 4.019 4.077 -0.058 1
1 11 . 19 1 1 A 7 7 GLY HA3 H 7 4.019 4.077 -0.058 1
1 12 . 19 1 1 A 7 7 GLY C C 7 174.546 171.664 2.882 1
1 13 . 19 1 1 A 8 8 THR N N 8 112.839 116.660 -3.821 1
1 14 . 19 1 1 A 8 8 THR H H 8 8.154 8.678 -0.524 1
1 15 . 19 1 1 A 8 8 THR CA C 8 61.923 59.625 2.298 1
1 16 . 19 1 1 A 8 8 THR HA H 8 4.357 5.023 -0.666 1
1 17 . 19 1 1 A 8 8 THR CB C 8 69.768 71.317 -1.549 1
1 23 . 19 1 1 A 8 8 THR C C 8 175.302 173.515 1.787 1
1 24 . 19 1 1 A 9 9 GLY N N 9 111.223 116.343 -5.120 1
1 25 . 19 1 1 A 9 9 GLY H H 9 8.456 8.445 0.011 1
1 26 . 19 1 1 A 9 9 GLY CA C 9 45.282 45.475 -0.193 1
1 27 . 19 1 1 A 9 9 GLY HA2 H 9 3.933 4.017 -0.084 1
1 28 . 19 1 1 A 9 9 GLY HA3 H 9 3.933 4.039 -0.106 1
1 29 . 19 1 1 A 9 9 GLY C C 9 173.949 175.162 -1.213 1
1 30 . 19 1 1 A 10 10 GLU N N 10 120.531 120.483 0.048 1
1 31 . 19 1 1 A 10 10 GLU H H 10 8.215 7.929 0.286 1
1 32 . 19 1 1 A 10 10 GLU CA C 10 56.445 57.501 -1.056 1
1 33 . 19 1 1 A 10 10 GLU HA H 10 4.223 4.272 -0.049 1
1 34 . 19 1 1 A 10 10 GLU CB C 10 30.431 31.327 -0.896 1
1 40 . 19 1 1 A 10 10 GLU C C 10 176.168 176.631 -0.463 1
1 41 . 19 1 1 A 11 11 ARG N N 11 122.264 119.609 2.655 1
1 42 . 19 1 1 A 11 11 ARG H H 11 8.353 7.818 0.535 1
1 43 . 19 1 1 A 11 11 ARG CA C 11 55.619 56.921 -1.302 1
1 44 . 19 1 1 A 11 11 ARG HA H 11 4.214 3.826 0.388 1
1 45 . 19 1 1 A 11 11 ARG CB C 11 30.650 28.434 2.216 1
1 54 . 19 1 1 A 11 11 ARG C C 11 174.908 175.752 -0.844 1
1 55 . 19 1 1 A 12 12 HIS N N 12 119.171 114.869 4.302 1
1 56 . 19 1 1 A 12 12 HIS H H 12 7.945 7.038 0.907 1
1 57 . 19 1 1 A 12 12 HIS CA C 12 55.289 56.072 -0.783 1
1 58 . 19 1 1 A 12 12 HIS HA H 12 4.649 4.576 0.073 1
1 59 . 19 1 1 A 12 12 HIS CB C 12 31.520 30.310 1.210 1
1 66 . 19 1 1 A 12 12 HIS C C 12 173.771 174.919 -1.148 1
1 67 . 19 1 1 A 13 13 TYR N N 13 121.025 122.722 -1.697 1
1 68 . 19 1 1 A 13 13 TYR H H 13 8.713 8.578 0.135 1
1 69 . 19 1 1 A 13 13 TYR CA C 13 57.433 58.580 -1.147 1
1 70 . 19 1 1 A 13 13 TYR HA H 13 4.636 4.585 0.051 1
1 71 . 19 1 1 A 13 13 TYR CB C 13 39.706 38.309 1.397 1
1 82 . 19 1 1 A 13 13 TYR C C 13 174.850 175.360 -0.510 1
1 83 . 19 1 1 A 14 14 GLU N N 14 123.621 124.993 -1.372 1
1 84 . 19 1 1 A 14 14 GLU H H 14 8.762 8.776 -0.014 1
1 85 . 19 1 1 A 14 14 GLU CA C 14 55.073 56.032 -0.959 1
1 86 . 19 1 1 A 14 14 GLU HA H 14 4.949 5.057 -0.108 1
1 87 . 19 1 1 A 14 14 GLU CB C 14 32.760 30.970 1.790 1
1 93 . 19 1 1 A 14 14 GLU C C 14 175.487 176.344 -0.857 1
1 94 . 19 1 1 A 15 15 CYS N N 15 126.353 124.519 1.834 1
1 95 . 19 1 1 A 15 15 CYS H H 15 9.253 8.728 0.525 1
1 96 . 19 1 1 A 15 15 CYS CA C 15 59.508 59.435 0.073 1
1 97 . 19 1 1 A 15 15 CYS HA H 15 4.580 4.563 0.017 1
1 98 . 19 1 1 A 15 15 CYS CB C 15 29.646 28.222 1.424 1
1 101 . 19 1 1 A 15 15 CYS C C 15 177.465 175.938 1.527 1
1 102 . 19 1 1 A 16 16 SER CA C 16 60.968 58.345 2.623 1
1 103 . 19 1 1 A 16 16 SER HA H 16 4.291 4.685 -0.394 1
1 104 . 19 1 1 A 16 16 SER CB C 16 63.017 62.735 0.282 1
1 107 . 19 1 1 A 16 16 SER C C 16 174.550 174.637 -0.087 1
1 108 . 19 1 1 A 17 17 GLU N N 17 122.749 120.106 2.643 1
1 109 . 19 1 1 A 17 17 GLU H H 17 8.679 7.960 0.719 1
1 110 . 19 1 1 A 17 17 GLU CA C 17 58.170 57.167 1.003 1
1 111 . 19 1 1 A 17 17 GLU HA H 17 4.252 4.484 -0.232 1
1 112 . 19 1 1 A 17 17 GLU CB C 17 29.693 31.955 -2.262 1
1 118 . 19 1 1 A 17 17 GLU C C 17 177.114 177.766 -0.652 1
1 119 . 19 1 1 A 18 18 CYS N N 18 114.770 114.991 -0.221 1
1 120 . 19 1 1 A 18 18 CYS H H 18 7.892 8.125 -0.233 1
1 121 . 19 1 1 A 18 18 CYS CA C 18 58.423 59.838 -1.415 1
1 122 . 19 1 1 A 18 18 CYS HA H 18 5.160 4.798 0.362 1
1 123 . 19 1 1 A 18 18 CYS CB C 18 32.475 29.783 2.692 1
1 126 . 19 1 1 A 18 18 CYS C C 18 176.207 175.371 0.836 1
1 127 . 19 1 1 A 19 19 GLY N N 19 113.459 109.471 3.988 1
1 128 . 19 1 1 A 19 19 GLY H H 19 8.233 7.930 0.303 1
1 129 . 19 1 1 A 19 19 GLY CA C 19 46.185 45.194 0.991 1
1 130 . 19 1 1 A 19 19 GLY HA2 H 19 3.869 4.063 -0.194 1
1 131 . 19 1 1 A 19 19 GLY HA3 H 19 4.218 4.067 0.151 1
1 132 . 19 1 1 A 19 19 GLY C C 19 173.698 174.295 -0.597 1
1 133 . 19 1 1 A 20 20 LYS N N 20 122.669 121.035 1.634 1
1 134 . 19 1 1 A 20 20 LYS H H 20 7.913 7.781 0.132 1
1 135 . 19 1 1 A 20 20 LYS CA C 20 58.015 54.974 3.041 1
1 136 . 19 1 1 A 20 20 LYS HA H 20 3.946 4.642 -0.696 1
1 137 . 19 1 1 A 20 20 LYS CB C 20 33.818 34.508 -0.690 1
1 149 . 19 1 1 A 20 20 LYS C C 20 173.787 174.960 -1.173 1
1 150 . 19 1 1 A 21 21 ALA N N 21 123.558 123.507 0.051 1
1 151 . 19 1 1 A 21 21 ALA H H 21 7.862 7.921 -0.059 1
1 152 . 19 1 1 A 21 21 ALA CA C 21 50.537 50.658 -0.121 1
1 153 . 19 1 1 A 21 21 ALA HA H 21 5.010 4.913 0.097 1
1 154 . 19 1 1 A 21 21 ALA CB C 21 21.863 22.164 -0.301 1
1 158 . 19 1 1 A 21 21 ALA C C 21 176.488 174.633 1.855 1
1 159 . 19 1 1 A 22 22 PHE N N 22 117.848 117.554 0.294 1
1 160 . 19 1 1 A 22 22 PHE H H 22 8.649 8.600 0.049 1
1 161 . 19 1 1 A 22 22 PHE CA C 22 57.125 56.497 0.628 1
1 162 . 19 1 1 A 22 22 PHE HA H 22 4.749 4.945 -0.196 1
1 163 . 19 1 1 A 22 22 PHE CB C 22 43.540 43.052 0.488 1
1 176 . 19 1 1 A 22 22 PHE C C 22 175.470 175.747 -0.277 1
1 177 . 19 1 1 A 23 23 ILE N N 23 118.637 124.542 -5.905 1
1 178 . 19 1 1 A 23 23 ILE H H 23 8.795 8.739 0.056 1
1 179 . 19 1 1 A 23 23 ILE CA C 23 62.569 63.361 -0.792 1
1 180 . 19 1 1 A 23 23 ILE HA H 23 4.413 4.158 0.255 1
1 181 . 19 1 1 A 23 23 ILE CB C 23 38.735 38.885 -0.150 1
1 194 . 19 1 1 A 23 23 ILE C C 23 175.892 175.325 0.567 1
1 195 . 19 1 1 A 24 24 GLN N N 24 115.722 118.813 -3.091 1
1 196 . 19 1 1 A 24 24 GLN H H 24 7.552 8.010 -0.458 1
1 197 . 19 1 1 A 24 24 GLN CA C 24 54.181 54.471 -0.290 1
1 198 . 19 1 1 A 24 24 GLN HA H 24 4.813 4.752 0.061 1
1 199 . 19 1 1 A 24 24 GLN CB C 24 31.481 31.567 -0.086 1
1 208 . 19 1 1 A 24 24 GLN C C 24 175.651 175.546 0.105 1
1 209 . 19 1 1 A 25 25 LYS N N 25 125.530 124.632 0.898 1
1 210 . 19 1 1 A 25 25 LYS H H 25 8.527 8.463 0.064 1
1 211 . 19 1 1 A 25 25 LYS CA C 25 59.400 59.099 0.301 1
1 212 . 19 1 1 A 25 25 LYS HA H 25 3.168 3.226 -0.058 1
1 213 . 19 1 1 A 25 25 LYS CB C 25 31.725 31.651 0.074 1
1 225 . 19 1 1 A 25 25 LYS C C 25 178.710 178.062 0.648 1
1 226 . 19 1 1 A 26 26 SER CA C 26 60.794 62.318 -1.524 1
1 227 . 19 1 1 A 26 26 SER HA H 26 4.049 4.010 0.039 1
1 228 . 19 1 1 A 26 26 SER CB C 26 61.478 62.563 -1.085 1
1 231 . 19 1 1 A 26 26 SER C C 26 177.149 176.107 1.042 1
1 232 . 19 1 1 A 27 27 THR N N 27 118.548 117.151 1.397 1
1 233 . 19 1 1 A 27 27 THR H H 27 7.008 8.022 -1.014 1
1 234 . 19 1 1 A 27 27 THR CA C 27 65.197 67.167 -1.970 1
1 235 . 19 1 1 A 27 27 THR HA H 27 3.907 3.877 0.030 1
1 236 . 19 1 1 A 27 27 THR CB C 27 67.801 68.512 -0.711 1
1 242 . 19 1 1 A 27 27 THR C C 27 176.751 175.753 0.998 1
1 243 . 19 1 1 A 28 28 LEU N N 28 123.662 121.389 2.273 1
1 244 . 19 1 1 A 28 28 LEU H H 28 7.093 7.748 -0.655 1
1 245 . 19 1 1 A 28 28 LEU CA C 28 58.213 57.322 0.891 1
1 246 . 19 1 1 A 28 28 LEU HA H 28 3.176 2.524 0.652 1
1 247 . 19 1 1 A 28 28 LEU CB C 28 39.863 41.117 -1.254 1
1 260 . 19 1 1 A 28 28 LEU C C 28 177.749 178.104 -0.355 1
1 261 . 19 1 1 A 29 29 SER N N 29 114.674 114.546 0.128 1
1 262 . 19 1 1 A 29 29 SER H H 29 8.358 7.866 0.492 1
1 263 . 19 1 1 A 29 29 SER CA C 29 61.767 61.624 0.143 1
1 264 . 19 1 1 A 29 29 SER HA H 29 4.257 4.096 0.161 1
1 265 . 19 1 1 A 29 29 SER CB C 29 62.473 62.935 -0.462 1
1 268 . 19 1 1 A 29 29 SER C C 29 177.197 177.162 0.035 1
1 269 . 19 1 1 A 30 30 MET N N 30 119.515 119.594 -0.079 1
1 270 . 19 1 1 A 30 30 MET H H 30 7.554 7.919 -0.365 1
1 271 . 19 1 1 A 30 30 MET CA C 30 58.170 58.221 -0.051 1
1 272 . 19 1 1 A 30 30 MET HA H 30 4.152 4.108 0.044 1
1 273 . 19 1 1 A 30 30 MET CB C 30 31.955 31.802 0.153 1
1 283 . 19 1 1 A 30 30 MET C C 30 178.556 178.365 0.191 1
1 284 . 19 1 1 A 31 31 HIS N N 31 120.563 120.073 0.490 1
1 285 . 19 1 1 A 31 31 HIS H H 31 7.889 7.826 0.063 1
1 286 . 19 1 1 A 31 31 HIS CA C 31 59.232 59.071 0.161 1
1 287 . 19 1 1 A 31 31 HIS HA H 31 4.172 4.210 -0.038 1
1 288 . 19 1 1 A 31 31 HIS CB C 31 28.113 29.923 -1.810 1
1 295 . 19 1 1 A 31 31 HIS C C 31 176.443 177.432 -0.989 1
1 296 . 19 1 1 A 32 32 GLN N N 32 115.497 117.418 -1.921 1
1 297 . 19 1 1 A 32 32 GLN H H 32 8.418 8.710 -0.292 1
1 298 . 19 1 1 A 32 32 GLN CA C 32 59.471 59.472 -0.001 1
1 299 . 19 1 1 A 32 32 GLN HA H 32 3.685 4.109 -0.424 1
1 300 . 19 1 1 A 32 32 GLN CB C 32 28.425 28.377 0.048 1
1 309 . 19 1 1 A 32 32 GLN C C 32 177.567 178.281 -0.714 1
1 310 . 19 1 1 A 33 33 ARG N N 33 117.423 117.796 -0.373 1
1 311 . 19 1 1 A 33 33 ARG H H 33 7.210 8.158 -0.948 1
1 312 . 19 1 1 A 33 33 ARG CA C 33 59.089 58.815 0.274 1
1 313 . 19 1 1 A 33 33 ARG HA H 33 3.923 4.100 -0.177 1
1 314 . 19 1 1 A 33 33 ARG CB C 33 30.078 30.175 -0.097 1
1 322 . 19 1 1 A 33 33 ARG C C 33 178.760 177.848 0.912 1
1 323 . 19 1 1 A 34 34 ILE N N 34 116.545 116.073 0.472 1
1 324 . 19 1 1 A 34 34 ILE H H 34 7.752 8.036 -0.284 1
1 325 . 19 1 1 A 34 34 ILE CA C 34 63.271 63.664 -0.393 1
1 326 . 19 1 1 A 34 34 ILE HA H 34 3.948 3.769 0.179 1
1 327 . 19 1 1 A 34 34 ILE CB C 34 37.597 37.274 0.323 1
1 340 . 19 1 1 A 34 34 ILE C C 34 177.960 177.338 0.622 1
1 341 . 19 1 1 A 35 35 HIS N N 35 117.514 119.484 -1.970 1
1 342 . 19 1 1 A 35 35 HIS H H 35 7.073 7.929 -0.856 1
1 343 . 19 1 1 A 35 35 HIS CA C 35 55.599 57.746 -2.147 1
1 344 . 19 1 1 A 35 35 HIS HA H 35 4.745 4.454 0.291 1
1 345 . 19 1 1 A 35 35 HIS CB C 35 28.499 31.277 -2.778 1
1 352 . 19 1 1 A 35 35 HIS C C 35 175.514 175.629 -0.115 1
1 353 . 19 1 1 A 36 36 ARG N N 36 118.480 116.279 2.201 1
1 354 . 19 1 1 A 36 36 ARG H H 36 7.543 7.907 -0.364 1
1 355 . 19 1 1 A 36 36 ARG CA C 36 56.414 55.252 1.162 1
1 356 . 19 1 1 A 36 36 ARG HA H 36 4.409 4.457 -0.048 1
1 357 . 19 1 1 A 36 36 ARG CB C 36 30.891 30.768 0.123 1
1 366 . 19 1 1 A 36 36 ARG C C 36 176.661 176.370 0.291 1
1 367 . 19 1 1 A 37 37 GLY N N 37 108.655 110.407 -1.752 1
1 368 . 19 1 1 A 37 37 GLY H H 37 8.122 8.650 -0.528 1
1 369 . 19 1 1 A 37 37 GLY CA C 37 45.393 46.434 -1.041 1
1 370 . 19 1 1 A 37 37 GLY HA2 H 37 3.969 3.955 0.014 1
1 371 . 19 1 1 A 37 37 GLY HA3 H 37 3.969 3.958 0.011 1
1 372 . 19 1 1 A 37 37 GLY C C 37 174.101 175.095 -0.994 1
1 373 . 19 1 1 A 38 38 GLU N N 38 120.249 122.305 -2.056 1
1 374 . 19 1 1 A 38 38 GLU H H 38 8.035 8.237 -0.202 1
1 375 . 19 1 1 A 38 38 GLU CA C 38 56.257 57.144 -0.887 1
1 376 . 19 1 1 A 38 38 GLU HA H 38 4.280 4.150 0.130 1
1 377 . 19 1 1 A 38 38 GLU CB C 38 30.620 29.767 0.853 1
1 383 . 19 1 1 A 38 38 GLU C C 38 176.208 176.805 -0.597 1
1 384 . 19 1 1 A 39 39 LYS N N 39 123.351 118.611 4.740 1
1 385 . 19 1 1 A 39 39 LYS H H 39 8.388 9.004 -0.616 1
1 386 . 19 1 1 A 39 39 LYS CA C 39 54.120 56.829 -2.709 1
1 387 . 19 1 1 A 39 39 LYS HA H 39 4.601 3.828 0.773 1
1 388 . 19 1 1 A 39 39 LYS CB C 39 32.529 30.388 2.141 1
1 400 . 19 1 1 A 39 39 LYS C C 39 174.534 176.757 -2.223 1
1 401 . 19 1 1 A 40 40 PRO CA C 40 63.272 64.369 -1.097 1
1 402 . 19 1 1 A 40 40 PRO HA H 40 4.457 4.575 -0.118 1
1 403 . 19 1 1 A 40 40 PRO CB C 40 32.172 31.787 0.385 1
1 412 . 19 1 1 A 40 40 PRO C C 40 176.936 176.471 0.465 1
1 413 . 19 1 1 A 41 41 SER N N 41 116.372 113.914 2.458 1
1 414 . 19 1 1 A 41 41 SER H H 41 8.453 7.884 0.569 1
1 415 . 19 1 1 A 41 41 SER CA C 41 58.319 57.780 0.539 1
1 416 . 19 1 1 A 41 41 SER HA H 41 4.479 4.963 -0.484 1
1 417 . 19 1 1 A 41 41 SER CB C 41 63.968 65.039 -1.071 1
1 419 . 19 1 1 A 41 41 SER C C 41 174.592 173.808 0.784 1
1 420 . 19 1 1 A 42 42 GLY CA C 42 44.667 45.976 -1.309 1
1 421 . 19 1 1 A 42 42 GLY HA2 H 42 4.124 4.031 0.093 1
1 422 . 19 1 1 A 42 42 GLY HA3 H 42 4.124 4.031 0.093 1
1 423 . 19 1 1 A 43 43 PRO CA C 43 63.273 63.304 -0.031 1
1 424 . 19 1 1 A 43 43 PRO HA H 43 4.461 4.272 0.189 1
1 425 . 19 1 1 A 43 43 PRO CB C 43 32.217 32.324 -0.107 1
1 434 . 19 1 1 A 45 45 SER CA C 45 58.367 59.755 -1.388 1
1 435 . 19 1 1 A 45 45 SER HA H 45 4.466 4.178 0.288 1
1 436 . 19 1 1 A 45 45 SER CB C 45 63.999 63.196 0.803 1
1 439 . 19 1 1 A 45 45 SER C C 45 173.901 174.905 -1.004 1
1 1 . 20 1 1 A 6 6 SER CA C 6 58.528 57.243 1.285 1
1 2 . 20 1 1 A 6 6 SER HA H 6 4.485 4.918 -0.433 1
1 3 . 20 1 1 A 6 6 SER CB C 6 63.865 66.124 -2.259 1
1 6 . 20 1 1 A 6 6 SER C C 6 175.149 172.940 2.209 1
1 7 . 20 1 1 A 7 7 GLY N N 7 110.926 108.134 2.792 1
1 8 . 20 1 1 A 7 7 GLY H H 7 8.464 8.996 -0.532 1
1 9 . 20 1 1 A 7 7 GLY CA C 7 45.461 45.393 0.068 1
1 10 . 20 1 1 A 7 7 GLY HA2 H 7 4.019 4.021 -0.002 1
1 11 . 20 1 1 A 7 7 GLY HA3 H 7 4.019 4.022 -0.003 1
1 12 . 20 1 1 A 7 7 GLY C C 7 174.546 173.188 1.358 1
1 13 . 20 1 1 A 8 8 THR N N 8 112.839 115.420 -2.581 1
1 14 . 20 1 1 A 8 8 THR H H 8 8.154 8.749 -0.595 1
1 15 . 20 1 1 A 8 8 THR CA C 8 61.923 59.363 2.560 1
1 16 . 20 1 1 A 8 8 THR HA H 8 4.357 5.003 -0.646 1
1 17 . 20 1 1 A 8 8 THR CB C 8 69.768 71.314 -1.546 1
1 23 . 20 1 1 A 8 8 THR C C 8 175.302 174.336 0.966 1
1 24 . 20 1 1 A 9 9 GLY N N 9 111.223 112.336 -1.113 1
1 25 . 20 1 1 A 9 9 GLY H H 9 8.456 8.659 -0.203 1
1 26 . 20 1 1 A 9 9 GLY CA C 9 45.282 45.481 -0.199 1
1 27 . 20 1 1 A 9 9 GLY HA2 H 9 3.933 3.963 -0.030 1
1 28 . 20 1 1 A 9 9 GLY HA3 H 9 3.933 3.989 -0.056 1
1 29 . 20 1 1 A 9 9 GLY C C 9 173.949 174.285 -0.336 1
1 30 . 20 1 1 A 10 10 GLU N N 10 120.531 119.895 0.636 1
1 31 . 20 1 1 A 10 10 GLU H H 10 8.215 7.928 0.287 1
1 32 . 20 1 1 A 10 10 GLU CA C 10 56.445 55.231 1.214 1
1 33 . 20 1 1 A 10 10 GLU HA H 10 4.223 4.468 -0.245 1
1 34 . 20 1 1 A 10 10 GLU CB C 10 30.431 30.364 0.067 1
1 40 . 20 1 1 A 10 10 GLU C C 10 176.168 175.302 0.866 1
1 41 . 20 1 1 A 11 11 ARG N N 11 122.264 123.733 -1.469 1
1 42 . 20 1 1 A 11 11 ARG H H 11 8.353 8.230 0.123 1
1 43 . 20 1 1 A 11 11 ARG CA C 11 55.619 55.390 0.229 1
1 44 . 20 1 1 A 11 11 ARG HA H 11 4.214 4.408 -0.194 1
1 45 . 20 1 1 A 11 11 ARG CB C 11 30.650 30.526 0.124 1
1 54 . 20 1 1 A 11 11 ARG C C 11 174.908 174.450 0.458 1
1 55 . 20 1 1 A 12 12 HIS N N 12 119.171 114.923 4.248 1
1 56 . 20 1 1 A 12 12 HIS H H 12 7.945 7.261 0.684 1
1 57 . 20 1 1 A 12 12 HIS CA C 12 55.289 54.864 0.425 1
1 58 . 20 1 1 A 12 12 HIS HA H 12 4.649 4.774 -0.125 1
1 59 . 20 1 1 A 12 12 HIS CB C 12 31.520 30.890 0.630 1
1 66 . 20 1 1 A 12 12 HIS C C 12 173.771 172.011 1.760 1
1 67 . 20 1 1 A 13 13 TYR N N 13 121.025 119.798 1.227 1
1 68 . 20 1 1 A 13 13 TYR H H 13 8.713 9.249 -0.536 1
1 69 . 20 1 1 A 13 13 TYR CA C 13 57.433 57.118 0.315 1
1 70 . 20 1 1 A 13 13 TYR HA H 13 4.636 4.750 -0.114 1
1 71 . 20 1 1 A 13 13 TYR CB C 13 39.706 37.648 2.058 1
1 82 . 20 1 1 A 13 13 TYR C C 13 174.850 175.337 -0.487 1
1 83 . 20 1 1 A 14 14 GLU N N 14 123.621 124.644 -1.023 1
1 84 . 20 1 1 A 14 14 GLU H H 14 8.762 8.544 0.218 1
1 85 . 20 1 1 A 14 14 GLU CA C 14 55.073 55.618 -0.545 1
1 86 . 20 1 1 A 14 14 GLU HA H 14 4.949 5.109 -0.160 1
1 87 . 20 1 1 A 14 14 GLU CB C 14 32.760 31.833 0.927 1
1 93 . 20 1 1 A 14 14 GLU C C 14 175.487 176.185 -0.698 1
1 94 . 20 1 1 A 15 15 CYS N N 15 126.353 124.215 2.138 1
1 95 . 20 1 1 A 15 15 CYS H H 15 9.253 8.850 0.403 1
1 96 . 20 1 1 A 15 15 CYS CA C 15 59.508 60.034 -0.526 1
1 97 . 20 1 1 A 15 15 CYS HA H 15 4.580 4.707 -0.127 1
1 98 . 20 1 1 A 15 15 CYS CB C 15 29.646 28.813 0.833 1
1 101 . 20 1 1 A 15 15 CYS C C 15 177.465 174.854 2.611 1
1 102 . 20 1 1 A 16 16 SER CA C 16 60.968 60.324 0.644 1
1 103 . 20 1 1 A 16 16 SER HA H 16 4.291 4.532 -0.241 1
1 104 . 20 1 1 A 16 16 SER CB C 16 63.017 63.866 -0.849 1
1 107 . 20 1 1 A 16 16 SER C C 16 174.550 175.941 -1.391 1
1 108 . 20 1 1 A 17 17 GLU N N 17 122.749 121.687 1.062 1
1 109 . 20 1 1 A 17 17 GLU H H 17 8.679 7.626 1.053 1
1 110 . 20 1 1 A 17 17 GLU CA C 17 58.170 58.969 -0.799 1
1 111 . 20 1 1 A 17 17 GLU HA H 17 4.252 3.895 0.357 1
1 112 . 20 1 1 A 17 17 GLU CB C 17 29.693 28.556 1.137 1
1 118 . 20 1 1 A 17 17 GLU C C 17 177.114 178.367 -1.253 1
1 119 . 20 1 1 A 18 18 CYS N N 18 114.770 114.943 -0.173 1
1 120 . 20 1 1 A 18 18 CYS H H 18 7.892 7.813 0.079 1
1 121 . 20 1 1 A 18 18 CYS CA C 18 58.423 59.879 -1.456 1
1 122 . 20 1 1 A 18 18 CYS HA H 18 5.160 4.525 0.635 1
1 123 . 20 1 1 A 18 18 CYS CB C 18 32.475 29.431 3.044 1
1 126 . 20 1 1 A 18 18 CYS C C 18 176.207 175.310 0.897 1
1 127 . 20 1 1 A 19 19 GLY N N 19 113.459 110.596 2.863 1
1 128 . 20 1 1 A 19 19 GLY H H 19 8.233 8.213 0.020 1
1 129 . 20 1 1 A 19 19 GLY CA C 19 46.185 45.304 0.881 1
1 130 . 20 1 1 A 19 19 GLY HA2 H 19 3.869 4.035 -0.166 1
1 131 . 20 1 1 A 19 19 GLY HA3 H 19 4.218 4.052 0.166 1
1 132 . 20 1 1 A 19 19 GLY C C 19 173.698 174.477 -0.779 1
1 133 . 20 1 1 A 20 20 LYS N N 20 122.669 121.881 0.788 1
1 134 . 20 1 1 A 20 20 LYS H H 20 7.913 7.356 0.557 1
1 135 . 20 1 1 A 20 20 LYS CA C 20 58.015 55.642 2.373 1
1 136 . 20 1 1 A 20 20 LYS HA H 20 3.946 4.278 -0.332 1
1 137 . 20 1 1 A 20 20 LYS CB C 20 33.818 33.593 0.225 1
1 149 . 20 1 1 A 20 20 LYS C C 20 173.787 175.121 -1.334 1
1 150 . 20 1 1 A 21 21 ALA N N 21 123.558 124.423 -0.865 1
1 151 . 20 1 1 A 21 21 ALA H H 21 7.862 7.900 -0.038 1
1 152 . 20 1 1 A 21 21 ALA CA C 21 50.537 50.505 0.032 1
1 153 . 20 1 1 A 21 21 ALA HA H 21 5.010 4.804 0.206 1
1 154 . 20 1 1 A 21 21 ALA CB C 21 21.863 21.813 0.050 1
1 158 . 20 1 1 A 21 21 ALA C C 21 176.488 175.358 1.130 1
1 159 . 20 1 1 A 22 22 PHE N N 22 117.848 119.688 -1.840 1
1 160 . 20 1 1 A 22 22 PHE H H 22 8.649 8.524 0.125 1
1 161 . 20 1 1 A 22 22 PHE CA C 22 57.125 56.953 0.172 1
1 162 . 20 1 1 A 22 22 PHE HA H 22 4.749 4.958 -0.209 1
1 163 . 20 1 1 A 22 22 PHE CB C 22 43.540 43.181 0.359 1
1 176 . 20 1 1 A 22 22 PHE C C 22 175.470 176.116 -0.646 1
1 177 . 20 1 1 A 23 23 ILE N N 23 118.637 123.100 -4.463 1
1 178 . 20 1 1 A 23 23 ILE H H 23 8.795 8.896 -0.101 1
1 179 . 20 1 1 A 23 23 ILE CA C 23 62.569 62.975 -0.406 1
1 180 . 20 1 1 A 23 23 ILE HA H 23 4.413 4.452 -0.039 1
1 181 . 20 1 1 A 23 23 ILE CB C 23 38.735 39.663 -0.928 1
1 194 . 20 1 1 A 23 23 ILE C C 23 175.892 175.467 0.425 1
1 195 . 20 1 1 A 24 24 GLN N N 24 115.722 119.398 -3.676 1
1 196 . 20 1 1 A 24 24 GLN H H 24 7.552 7.892 -0.340 1
1 197 . 20 1 1 A 24 24 GLN CA C 24 54.181 54.341 -0.160 1
1 198 . 20 1 1 A 24 24 GLN HA H 24 4.813 4.727 0.086 1
1 199 . 20 1 1 A 24 24 GLN CB C 24 31.481 31.411 0.070 1
1 208 . 20 1 1 A 24 24 GLN C C 24 175.651 175.754 -0.103 1
1 209 . 20 1 1 A 25 25 LYS N N 25 125.530 124.452 1.078 1
1 210 . 20 1 1 A 25 25 LYS H H 25 8.527 8.508 0.019 1
1 211 . 20 1 1 A 25 25 LYS CA C 25 59.400 59.253 0.147 1
1 212 . 20 1 1 A 25 25 LYS HA H 25 3.168 3.090 0.078 1
1 213 . 20 1 1 A 25 25 LYS CB C 25 31.725 31.407 0.318 1
1 225 . 20 1 1 A 25 25 LYS C C 25 178.710 177.496 1.214 1
1 226 . 20 1 1 A 26 26 SER CA C 26 60.794 61.399 -0.605 1
1 227 . 20 1 1 A 26 26 SER HA H 26 4.049 4.053 -0.004 1
1 228 . 20 1 1 A 26 26 SER CB C 26 61.478 63.069 -1.591 1
1 231 . 20 1 1 A 26 26 SER C C 26 177.149 177.292 -0.143 1
1 232 . 20 1 1 A 27 27 THR N N 27 118.548 117.698 0.850 1
1 233 . 20 1 1 A 27 27 THR H H 27 7.008 7.984 -0.976 1
1 234 . 20 1 1 A 27 27 THR CA C 27 65.197 66.564 -1.367 1
1 235 . 20 1 1 A 27 27 THR HA H 27 3.907 3.927 -0.020 1
1 236 . 20 1 1 A 27 27 THR CB C 27 67.801 68.680 -0.879 1
1 242 . 20 1 1 A 27 27 THR C C 27 176.751 175.997 0.754 1
1 243 . 20 1 1 A 28 28 LEU N N 28 123.662 121.990 1.672 1
1 244 . 20 1 1 A 28 28 LEU H H 28 7.093 7.469 -0.376 1
1 245 . 20 1 1 A 28 28 LEU CA C 28 58.213 57.086 1.127 1
1 246 . 20 1 1 A 28 28 LEU HA H 28 3.176 2.811 0.365 1
1 247 . 20 1 1 A 28 28 LEU CB C 28 39.863 41.464 -1.601 1
1 260 . 20 1 1 A 28 28 LEU C C 28 177.749 178.183 -0.434 1
1 261 . 20 1 1 A 29 29 SER N N 29 114.674 114.782 -0.108 1
1 262 . 20 1 1 A 29 29 SER H H 29 8.358 7.826 0.532 1
1 263 . 20 1 1 A 29 29 SER CA C 29 61.767 61.735 0.032 1
1 264 . 20 1 1 A 29 29 SER HA H 29 4.257 4.040 0.217 1
1 265 . 20 1 1 A 29 29 SER CB C 29 62.473 62.729 -0.256 1
1 268 . 20 1 1 A 29 29 SER C C 29 177.197 176.941 0.256 1
1 269 . 20 1 1 A 30 30 MET N N 30 119.515 119.928 -0.413 1
1 270 . 20 1 1 A 30 30 MET H H 30 7.554 8.396 -0.842 1
1 271 . 20 1 1 A 30 30 MET CA C 30 58.170 57.490 0.680 1
1 272 . 20 1 1 A 30 30 MET HA H 30 4.152 4.201 -0.049 1
1 273 . 20 1 1 A 30 30 MET CB C 30 31.955 32.421 -0.466 1
1 283 . 20 1 1 A 30 30 MET C C 30 178.556 177.959 0.597 1
1 284 . 20 1 1 A 31 31 HIS N N 31 120.563 120.186 0.377 1
1 285 . 20 1 1 A 31 31 HIS H H 31 7.889 7.955 -0.066 1
1 286 . 20 1 1 A 31 31 HIS CA C 31 59.232 58.783 0.449 1
1 287 . 20 1 1 A 31 31 HIS HA H 31 4.172 4.190 -0.018 1
1 288 . 20 1 1 A 31 31 HIS CB C 31 28.113 30.221 -2.108 1
1 295 . 20 1 1 A 31 31 HIS C C 31 176.443 177.001 -0.558 1
1 296 . 20 1 1 A 32 32 GLN N N 32 115.497 117.656 -2.159 1
1 297 . 20 1 1 A 32 32 GLN H H 32 8.418 8.598 -0.180 1
1 298 . 20 1 1 A 32 32 GLN CA C 32 59.471 59.202 0.269 1
1 299 . 20 1 1 A 32 32 GLN HA H 32 3.685 3.834 -0.149 1
1 300 . 20 1 1 A 32 32 GLN CB C 32 28.425 28.326 0.099 1
1 309 . 20 1 1 A 32 32 GLN C C 32 177.567 177.931 -0.364 1
1 310 . 20 1 1 A 33 33 ARG N N 33 117.423 117.683 -0.260 1
1 311 . 20 1 1 A 33 33 ARG H H 33 7.210 8.132 -0.922 1
1 312 . 20 1 1 A 33 33 ARG CA C 33 59.089 58.749 0.340 1
1 313 . 20 1 1 A 33 33 ARG HA H 33 3.923 4.051 -0.128 1
1 314 . 20 1 1 A 33 33 ARG CB C 33 30.078 30.175 -0.097 1
1 322 . 20 1 1 A 33 33 ARG C C 33 178.760 177.752 1.008 1
1 323 . 20 1 1 A 34 34 ILE N N 34 116.545 115.894 0.651 1
1 324 . 20 1 1 A 34 34 ILE H H 34 7.752 7.974 -0.222 1
1 325 . 20 1 1 A 34 34 ILE CA C 34 63.271 64.251 -0.980 1
1 326 . 20 1 1 A 34 34 ILE HA H 34 3.948 3.717 0.231 1
1 327 . 20 1 1 A 34 34 ILE CB C 34 37.597 37.237 0.360 1
1 340 . 20 1 1 A 34 34 ILE C C 34 177.960 177.568 0.392 1
1 341 . 20 1 1 A 35 35 HIS N N 35 117.514 120.368 -2.854 1
1 342 . 20 1 1 A 35 35 HIS H H 35 7.073 7.744 -0.671 1
1 343 . 20 1 1 A 35 35 HIS CA C 35 55.599 59.569 -3.970 1
1 344 . 20 1 1 A 35 35 HIS HA H 35 4.745 4.319 0.426 1
1 345 . 20 1 1 A 35 35 HIS CB C 35 28.499 30.529 -2.030 1
1 352 . 20 1 1 A 35 35 HIS C C 35 175.514 176.091 -0.577 1
1 353 . 20 1 1 A 36 36 ARG N N 36 118.480 116.622 1.858 1
1 354 . 20 1 1 A 36 36 ARG H H 36 7.543 7.925 -0.382 1
1 355 . 20 1 1 A 36 36 ARG CA C 36 56.414 55.649 0.765 1
1 356 . 20 1 1 A 36 36 ARG HA H 36 4.409 4.332 0.077 1
1 357 . 20 1 1 A 36 36 ARG CB C 36 30.891 29.532 1.359 1
1 366 . 20 1 1 A 36 36 ARG C C 36 176.661 175.376 1.285 1
1 367 . 20 1 1 A 37 37 GLY N N 37 108.655 109.051 -0.396 1
1 368 . 20 1 1 A 37 37 GLY H H 37 8.122 7.880 0.242 1
1 369 . 20 1 1 A 37 37 GLY CA C 37 45.393 47.220 -1.827 1
1 370 . 20 1 1 A 37 37 GLY HA2 H 37 3.969 3.875 0.094 1
1 371 . 20 1 1 A 37 37 GLY HA3 H 37 3.969 3.882 0.087 1
1 372 . 20 1 1 A 37 37 GLY C C 37 174.101 175.138 -1.037 1
1 373 . 20 1 1 A 38 38 GLU N N 38 120.249 120.822 -0.573 1
1 374 . 20 1 1 A 38 38 GLU H H 38 8.035 7.568 0.467 1
1 375 . 20 1 1 A 38 38 GLU CA C 38 56.257 59.583 -3.326 1
1 376 . 20 1 1 A 38 38 GLU HA H 38 4.280 3.890 0.390 1
1 377 . 20 1 1 A 38 38 GLU CB C 38 30.620 30.020 0.600 1
1 383 . 20 1 1 A 38 38 GLU C C 38 176.208 176.167 0.041 1
1 384 . 20 1 1 A 39 39 LYS N N 39 123.351 118.172 5.179 1
1 385 . 20 1 1 A 39 39 LYS H H 39 8.388 7.951 0.437 1
1 386 . 20 1 1 A 39 39 LYS CA C 39 54.120 53.470 0.650 1
1 387 . 20 1 1 A 39 39 LYS HA H 39 4.601 4.575 0.026 1
1 388 . 20 1 1 A 39 39 LYS CB C 39 32.529 32.830 -0.301 1
1 400 . 20 1 1 A 39 39 LYS C C 39 174.534 174.070 0.464 1
1 401 . 20 1 1 A 40 40 PRO CA C 40 63.272 62.802 0.470 1
1 402 . 20 1 1 A 40 40 PRO HA H 40 4.457 4.750 -0.293 1
1 403 . 20 1 1 A 40 40 PRO CB C 40 32.172 33.292 -1.120 1
1 412 . 20 1 1 A 40 40 PRO C C 40 176.936 175.890 1.046 1
1 413 . 20 1 1 A 41 41 SER N N 41 116.372 116.995 -0.623 1
1 414 . 20 1 1 A 41 41 SER H H 41 8.453 8.547 -0.094 1
1 415 . 20 1 1 A 41 41 SER CA C 41 58.319 57.288 1.031 1
1 416 . 20 1 1 A 41 41 SER HA H 41 4.479 4.704 -0.225 1
1 417 . 20 1 1 A 41 41 SER CB C 41 63.968 63.490 0.478 1
1 419 . 20 1 1 A 41 41 SER C C 41 174.592 174.651 -0.059 1
1 420 . 20 1 1 A 42 42 GLY CA C 42 44.667 45.523 -0.856 1
1 421 . 20 1 1 A 42 42 GLY HA2 H 42 4.124 3.892 0.232 1
1 422 . 20 1 1 A 42 42 GLY HA3 H 42 4.124 3.893 0.231 1
1 423 . 20 1 1 A 43 43 PRO CA C 43 63.273 64.035 -0.762 1
1 424 . 20 1 1 A 43 43 PRO HA H 43 4.461 4.462 -0.001 1
1 425 . 20 1 1 A 43 43 PRO CB C 43 32.217 31.663 0.554 1
1 434 . 20 1 1 A 45 45 SER CA C 45 58.367 56.540 1.827 1
1 435 . 20 1 1 A 45 45 SER HA H 45 4.466 4.847 -0.381 1
1 436 . 20 1 1 A 45 45 SER CB C 45 63.999 64.053 -0.054 1
1 439 . 20 1 1 A 45 45 SER C C 45 173.901 173.503 0.398 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 37 1.066 1
2 1 1 1 "RMS(OBS, PRED)" CA 39 1.254 1
3 1 1 1 "RMS(OBS, PRED)" CB 34 1.166 1
4 1 1 1 "RMS(OBS, PRED)" H 32 0.432 1
5 1 1 1 "RMS(OBS, PRED)" HA 44 0.323 1
6 1 1 1 "RMS(OBS, PRED)" N 32 2.286 1
7 1 2 1 "RMS(OBS, PRED)" C 37 0.690 1
8 1 2 1 "RMS(OBS, PRED)" CA 39 1.108 1
9 1 2 1 "RMS(OBS, PRED)" CB 34 1.168 1
10 1 2 1 "RMS(OBS, PRED)" H 32 0.489 1
11 1 2 1 "RMS(OBS, PRED)" HA 44 0.270 1
12 1 2 1 "RMS(OBS, PRED)" N 32 2.668 1
13 1 3 1 "RMS(OBS, PRED)" C 37 0.978 1
14 1 3 1 "RMS(OBS, PRED)" CA 39 1.071 1
15 1 3 1 "RMS(OBS, PRED)" CB 34 1.191 1
16 1 3 1 "RMS(OBS, PRED)" H 32 0.450 1
17 1 3 1 "RMS(OBS, PRED)" HA 44 0.263 1
18 1 3 1 "RMS(OBS, PRED)" N 32 2.341 1
19 1 4 1 "RMS(OBS, PRED)" C 37 1.065 1
20 1 4 1 "RMS(OBS, PRED)" CA 39 1.138 1
21 1 4 1 "RMS(OBS, PRED)" CB 34 1.388 1
22 1 4 1 "RMS(OBS, PRED)" H 32 0.487 1
23 1 4 1 "RMS(OBS, PRED)" HA 44 0.346 1
24 1 4 1 "RMS(OBS, PRED)" N 32 2.264 1
25 1 5 1 "RMS(OBS, PRED)" C 37 0.868 1
26 1 5 1 "RMS(OBS, PRED)" CA 39 1.198 1
27 1 5 1 "RMS(OBS, PRED)" CB 34 1.417 1
28 1 5 1 "RMS(OBS, PRED)" H 32 0.419 1
29 1 5 1 "RMS(OBS, PRED)" HA 44 0.281 1
30 1 5 1 "RMS(OBS, PRED)" N 32 2.416 1
31 1 6 1 "RMS(OBS, PRED)" C 37 0.880 1
32 1 6 1 "RMS(OBS, PRED)" CA 39 1.483 1
33 1 6 1 "RMS(OBS, PRED)" CB 34 1.087 1
34 1 6 1 "RMS(OBS, PRED)" H 32 0.480 1
35 1 6 1 "RMS(OBS, PRED)" HA 44 0.219 1
36 1 6 1 "RMS(OBS, PRED)" N 32 2.493 1
37 1 7 1 "RMS(OBS, PRED)" C 37 1.094 1
38 1 7 1 "RMS(OBS, PRED)" CA 39 1.157 1
39 1 7 1 "RMS(OBS, PRED)" CB 34 1.350 1
40 1 7 1 "RMS(OBS, PRED)" H 32 0.507 1
41 1 7 1 "RMS(OBS, PRED)" HA 44 0.249 1
42 1 7 1 "RMS(OBS, PRED)" N 32 2.798 1
43 1 8 1 "RMS(OBS, PRED)" C 37 0.915 1
44 1 8 1 "RMS(OBS, PRED)" CA 39 1.250 1
45 1 8 1 "RMS(OBS, PRED)" CB 34 1.183 1
46 1 8 1 "RMS(OBS, PRED)" H 32 0.492 1
47 1 8 1 "RMS(OBS, PRED)" HA 44 0.269 1
48 1 8 1 "RMS(OBS, PRED)" N 32 2.773 1
49 1 9 1 "RMS(OBS, PRED)" C 37 0.931 1
50 1 9 1 "RMS(OBS, PRED)" CA 39 1.249 1
51 1 9 1 "RMS(OBS, PRED)" CB 34 1.246 1
52 1 9 1 "RMS(OBS, PRED)" H 32 0.428 1
53 1 9 1 "RMS(OBS, PRED)" HA 44 0.275 1
54 1 9 1 "RMS(OBS, PRED)" N 32 2.425 1
55 1 10 1 "RMS(OBS, PRED)" C 37 0.947 1
56 1 10 1 "RMS(OBS, PRED)" CA 39 1.209 1
57 1 10 1 "RMS(OBS, PRED)" CB 34 1.628 1
58 1 10 1 "RMS(OBS, PRED)" H 32 0.459 1
59 1 10 1 "RMS(OBS, PRED)" HA 44 0.336 1
60 1 10 1 "RMS(OBS, PRED)" N 32 2.309 1
61 1 11 1 "RMS(OBS, PRED)" C 37 0.917 1
62 1 11 1 "RMS(OBS, PRED)" CA 39 1.480 1
63 1 11 1 "RMS(OBS, PRED)" CB 34 1.241 1
64 1 11 1 "RMS(OBS, PRED)" H 32 0.483 1
65 1 11 1 "RMS(OBS, PRED)" HA 44 0.321 1
66 1 11 1 "RMS(OBS, PRED)" N 32 2.545 1
67 1 12 1 "RMS(OBS, PRED)" C 37 0.894 1
68 1 12 1 "RMS(OBS, PRED)" CA 39 1.358 1
69 1 12 1 "RMS(OBS, PRED)" CB 34 1.274 1
70 1 12 1 "RMS(OBS, PRED)" H 32 0.580 1
71 1 12 1 "RMS(OBS, PRED)" HA 44 0.272 1
72 1 12 1 "RMS(OBS, PRED)" N 32 2.775 1
73 1 13 1 "RMS(OBS, PRED)" C 37 1.073 1
74 1 13 1 "RMS(OBS, PRED)" CA 39 1.297 1
75 1 13 1 "RMS(OBS, PRED)" CB 34 1.450 1
76 1 13 1 "RMS(OBS, PRED)" H 32 0.527 1
77 1 13 1 "RMS(OBS, PRED)" HA 44 0.306 1
78 1 13 1 "RMS(OBS, PRED)" N 32 2.674 1
79 1 14 1 "RMS(OBS, PRED)" C 37 0.851 1
80 1 14 1 "RMS(OBS, PRED)" CA 39 1.388 1
81 1 14 1 "RMS(OBS, PRED)" CB 34 1.246 1
82 1 14 1 "RMS(OBS, PRED)" H 32 0.513 1
83 1 14 1 "RMS(OBS, PRED)" HA 44 0.255 1
84 1 14 1 "RMS(OBS, PRED)" N 32 2.489 1
85 1 15 1 "RMS(OBS, PRED)" C 37 0.840 1
86 1 15 1 "RMS(OBS, PRED)" CA 39 1.196 1
87 1 15 1 "RMS(OBS, PRED)" CB 34 1.054 1
88 1 15 1 "RMS(OBS, PRED)" H 32 0.434 1
89 1 15 1 "RMS(OBS, PRED)" HA 44 0.262 1
90 1 15 1 "RMS(OBS, PRED)" N 32 2.419 1
91 1 16 1 "RMS(OBS, PRED)" C 37 0.915 1
92 1 16 1 "RMS(OBS, PRED)" CA 39 1.230 1
93 1 16 1 "RMS(OBS, PRED)" CB 34 1.119 1
94 1 16 1 "RMS(OBS, PRED)" H 32 0.452 1
95 1 16 1 "RMS(OBS, PRED)" HA 44 0.231 1
96 1 16 1 "RMS(OBS, PRED)" N 32 2.199 1
97 1 17 1 "RMS(OBS, PRED)" C 37 0.870 1
98 1 17 1 "RMS(OBS, PRED)" CA 39 1.180 1
99 1 17 1 "RMS(OBS, PRED)" CB 34 1.386 1
100 1 17 1 "RMS(OBS, PRED)" H 32 0.519 1
101 1 17 1 "RMS(OBS, PRED)" HA 44 0.264 1
102 1 17 1 "RMS(OBS, PRED)" N 32 2.280 1
103 1 18 1 "RMS(OBS, PRED)" C 37 1.089 1
104 1 18 1 "RMS(OBS, PRED)" CA 39 1.398 1
105 1 18 1 "RMS(OBS, PRED)" CB 34 1.170 1
106 1 18 1 "RMS(OBS, PRED)" H 32 0.540 1
107 1 18 1 "RMS(OBS, PRED)" HA 44 0.283 1
108 1 18 1 "RMS(OBS, PRED)" N 32 3.033 1
109 1 19 1 "RMS(OBS, PRED)" C 37 1.081 1
110 1 19 1 "RMS(OBS, PRED)" CA 39 1.274 1
111 1 19 1 "RMS(OBS, PRED)" CB 34 1.260 1
112 1 19 1 "RMS(OBS, PRED)" H 32 0.491 1
113 1 19 1 "RMS(OBS, PRED)" HA 44 0.285 1
114 1 19 1 "RMS(OBS, PRED)" N 32 2.585 1
115 1 20 1 "RMS(OBS, PRED)" C 37 1.011 1
116 1 20 1 "RMS(OBS, PRED)" CA 39 1.286 1
117 1 20 1 "RMS(OBS, PRED)" CB 34 1.169 1
118 1 20 1 "RMS(OBS, PRED)" H 32 0.489 1
119 1 20 1 "RMS(OBS, PRED)" HA 44 0.248 1
120 1 20 1 "RMS(OBS, PRED)" N 32 2.128 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 SER CA C 6 58.528 57.797 0.731 2
1 2 . 1 1 A 6 6 SER HA H 6 4.485 4.780 -0.295 2
1 3 . 1 1 A 6 6 SER CB C 6 63.865 64.514 -0.649 2
1 6 . 1 1 A 6 6 SER C C 6 175.149 174.018 1.131 2
1 7 . 1 1 A 7 7 GLY N N 7 110.926 111.346 -0.420 2
1 8 . 1 1 A 7 7 GLY H H 7 8.464 8.431 0.033 2
1 9 . 1 1 A 7 7 GLY CA C 7 45.461 45.487 -0.026 2
1 10 . 1 1 A 7 7 GLY HA2 H 7 4.019 4.064 -0.045 2
1 11 . 1 1 A 7 7 GLY HA3 H 7 4.019 4.067 -0.048 2
1 12 . 1 1 A 7 7 GLY C C 7 174.546 173.739 0.807 2
1 13 . 1 1 A 8 8 THR N N 8 112.839 115.409 -2.570 2
1 14 . 1 1 A 8 8 THR H H 8 8.154 8.347 -0.193 2
1 15 . 1 1 A 8 8 THR CA C 8 61.923 62.041 -0.118 2
1 16 . 1 1 A 8 8 THR HA H 8 4.357 4.518 -0.161 2
1 17 . 1 1 A 8 8 THR CB C 8 69.768 69.921 -0.153 2
1 23 . 1 1 A 8 8 THR C C 8 175.302 174.433 0.869 2
1 24 . 1 1 A 9 9 GLY N N 9 111.223 111.566 -0.343 2
1 25 . 1 1 A 9 9 GLY H H 9 8.456 8.279 0.177 2
1 26 . 1 1 A 9 9 GLY CA C 9 45.282 45.219 0.063 2
1 27 . 1 1 A 9 9 GLY HA2 H 9 3.933 4.017 -0.084 2
1 28 . 1 1 A 9 9 GLY HA3 H 9 3.933 4.032 -0.099 2
1 29 . 1 1 A 9 9 GLY C C 9 173.949 173.970 -0.021 2
1 30 . 1 1 A 10 10 GLU N N 10 120.531 120.909 -0.379 2
1 31 . 1 1 A 10 10 GLU H H 10 8.215 8.404 -0.189 2
1 32 . 1 1 A 10 10 GLU CA C 10 56.445 56.625 -0.180 2
1 33 . 1 1 A 10 10 GLU HA H 10 4.223 4.362 -0.139 2
1 34 . 1 1 A 10 10 GLU CB C 10 30.431 30.624 -0.193 2
1 40 . 1 1 A 10 10 GLU C C 10 176.168 176.235 -0.067 2
1 41 . 1 1 A 11 11 ARG N N 11 122.264 121.427 0.837 2
1 42 . 1 1 A 11 11 ARG H H 11 8.353 8.150 0.203 2
1 43 . 1 1 A 11 11 ARG CA C 11 55.619 56.156 -0.537 2
1 44 . 1 1 A 11 11 ARG HA H 11 4.214 4.312 -0.098 2
1 45 . 1 1 A 11 11 ARG CB C 11 30.650 30.907 -0.257 2
1 54 . 1 1 A 11 11 ARG C C 11 174.908 175.401 -0.493 2
1 55 . 1 1 A 12 12 HIS N N 12 119.171 117.424 1.747 2
1 56 . 1 1 A 12 12 HIS H H 12 7.945 7.784 0.161 2
1 57 . 1 1 A 12 12 HIS CA C 12 55.289 54.569 0.720 2
1 58 . 1 1 A 12 12 HIS HA H 12 4.649 4.891 -0.241 2
1 59 . 1 1 A 12 12 HIS CB C 12 31.520 31.831 -0.311 2
1 66 . 1 1 A 12 12 HIS C C 12 173.771 173.352 0.419 2
1 67 . 1 1 A 13 13 TYR N N 13 121.025 120.295 0.730 2
1 68 . 1 1 A 13 13 TYR H H 13 8.713 8.793 -0.080 2
1 69 . 1 1 A 13 13 TYR CA C 13 57.433 57.836 -0.403 2
1 70 . 1 1 A 13 13 TYR HA H 13 4.636 4.854 -0.218 2
1 71 . 1 1 A 13 13 TYR CB C 13 39.706 38.844 0.862 2
1 82 . 1 1 A 13 13 TYR C C 13 174.850 175.607 -0.757 2
1 83 . 1 1 A 14 14 GLU N N 14 123.621 123.780 -0.159 2
1 84 . 1 1 A 14 14 GLU H H 14 8.762 9.000 -0.238 2
1 85 . 1 1 A 14 14 GLU CA C 14 55.073 55.055 0.018 2
1 86 . 1 1 A 14 14 GLU HA H 14 4.949 5.264 -0.315 2
1 87 . 1 1 A 14 14 GLU CB C 14 32.760 32.246 0.514 2
1 93 . 1 1 A 14 14 GLU C C 14 175.487 175.932 -0.445 2
1 94 . 1 1 A 15 15 CYS N N 15 126.353 124.059 2.294 2
1 95 . 1 1 A 15 15 CYS H H 15 9.253 9.129 0.124 2
1 96 . 1 1 A 15 15 CYS CA C 15 59.508 59.469 0.039 2
1 97 . 1 1 A 15 15 CYS HA H 15 4.580 4.660 -0.080 2
1 98 . 1 1 A 15 15 CYS CB C 15 29.646 28.680 0.966 2
1 101 . 1 1 A 15 15 CYS C C 15 177.465 175.886 1.579 2
1 102 . 1 1 A 16 16 SER CA C 16 60.968 58.764 2.204 2
1 103 . 1 1 A 16 16 SER HA H 16 4.291 4.596 -0.304 2
1 104 . 1 1 A 16 16 SER CB C 16 63.017 63.171 -0.154 2
1 107 . 1 1 A 16 16 SER C C 16 174.550 175.196 -0.646 2
1 108 . 1 1 A 17 17 GLU N N 17 122.749 120.891 1.858 2
1 109 . 1 1 A 17 17 GLU H H 17 8.679 7.867 0.812 2
1 110 . 1 1 A 17 17 GLU CA C 17 58.170 57.612 0.558 2
1 111 . 1 1 A 17 17 GLU HA H 17 4.252 4.279 -0.027 2
1 112 . 1 1 A 17 17 GLU CB C 17 29.693 30.763 -1.070 2
1 118 . 1 1 A 17 17 GLU C C 17 177.114 177.921 -0.807 2
1 119 . 1 1 A 18 18 CYS N N 18 114.770 114.885 -0.115 2
1 120 . 1 1 A 18 18 CYS H H 18 7.892 8.010 -0.118 2
1 121 . 1 1 A 18 18 CYS CA C 18 58.423 59.797 -1.374 2
1 122 . 1 1 A 18 18 CYS HA H 18 5.160 4.657 0.503 2
1 123 . 1 1 A 18 18 CYS CB C 18 32.475 29.690 2.785 2
1 126 . 1 1 A 18 18 CYS C C 18 176.207 175.357 0.850 2
1 127 . 1 1 A 19 19 GLY N N 19 113.459 109.909 3.550 2
1 128 . 1 1 A 19 19 GLY H H 19 8.233 8.040 0.193 2
1 129 . 1 1 A 19 19 GLY CA C 19 46.185 45.286 0.899 2
1 130 . 1 1 A 19 19 GLY HA2 H 19 3.869 4.070 -0.201 2
1 131 . 1 1 A 19 19 GLY HA3 H 19 4.218 4.079 0.139 2
1 132 . 1 1 A 19 19 GLY C C 19 173.698 174.314 -0.616 2
1 133 . 1 1 A 20 20 LYS N N 20 122.669 120.776 1.893 2
1 134 . 1 1 A 20 20 LYS H H 20 7.913 7.715 0.198 2
1 135 . 1 1 A 20 20 LYS CA C 20 58.015 55.208 2.807 2
1 136 . 1 1 A 20 20 LYS HA H 20 3.946 4.456 -0.510 2
1 137 . 1 1 A 20 20 LYS CB C 20 33.818 34.252 -0.434 2
1 149 . 1 1 A 20 20 LYS C C 20 173.787 175.021 -1.234 2
1 150 . 1 1 A 21 21 ALA N N 21 123.558 124.840 -1.282 2
1 151 . 1 1 A 21 21 ALA H H 21 7.862 8.197 -0.335 2
1 152 . 1 1 A 21 21 ALA CA C 21 50.537 50.424 0.113 2
1 153 . 1 1 A 21 21 ALA HA H 21 5.010 5.156 -0.146 2
1 154 . 1 1 A 21 21 ALA CB C 21 21.863 21.814 0.050 2
1 158 . 1 1 A 21 21 ALA C C 21 176.488 175.455 1.033 2
1 159 . 1 1 A 22 22 PHE N N 22 117.848 118.173 -0.325 2
1 160 . 1 1 A 22 22 PHE H H 22 8.649 8.872 -0.223 2
1 161 . 1 1 A 22 22 PHE CA C 22 57.125 56.541 0.584 2
1 162 . 1 1 A 22 22 PHE HA H 22 4.749 4.931 -0.182 2
1 163 . 1 1 A 22 22 PHE CB C 22 43.540 42.876 0.664 2
1 176 . 1 1 A 22 22 PHE C C 22 175.470 175.834 -0.364 2
1 177 . 1 1 A 23 23 ILE N N 23 118.637 124.247 -5.610 2
1 178 . 1 1 A 23 23 ILE H H 23 8.795 8.738 0.057 2
1 179 . 1 1 A 23 23 ILE CA C 23 62.569 63.444 -0.875 2
1 180 . 1 1 A 23 23 ILE HA H 23 4.413 4.210 0.203 2
1 181 . 1 1 A 23 23 ILE CB C 23 38.735 38.741 -0.006 2
1 194 . 1 1 A 23 23 ILE C C 23 175.892 175.497 0.395 2
1 195 . 1 1 A 24 24 GLN N N 24 115.722 119.519 -3.797 2
1 196 . 1 1 A 24 24 GLN H H 24 7.552 7.870 -0.318 2
1 197 . 1 1 A 24 24 GLN CA C 24 54.181 54.632 -0.451 2
1 198 . 1 1 A 24 24 GLN HA H 24 4.813 4.747 0.066 2
1 199 . 1 1 A 24 24 GLN CB C 24 31.481 30.989 0.492 2
1 208 . 1 1 A 24 24 GLN C C 24 175.651 175.946 -0.295 2
1 209 . 1 1 A 25 25 LYS N N 25 125.530 124.728 0.802 2
1 210 . 1 1 A 25 25 LYS H H 25 8.527 8.661 -0.134 2
1 211 . 1 1 A 25 25 LYS CA C 25 59.400 59.244 0.156 2
1 212 . 1 1 A 25 25 LYS HA H 25 3.168 3.285 -0.117 2
1 213 . 1 1 A 25 25 LYS CB C 25 31.725 31.540 0.185 2
1 225 . 1 1 A 25 25 LYS C C 25 178.710 177.918 0.792 2
1 226 . 1 1 A 26 26 SER CA C 26 60.794 61.840 -1.046 2
1 227 . 1 1 A 26 26 SER HA H 26 4.049 4.045 0.004 2
1 228 . 1 1 A 26 26 SER CB C 26 61.478 62.968 -1.490 2
1 231 . 1 1 A 26 26 SER C C 26 177.149 176.736 0.413 2
1 232 . 1 1 A 27 27 THR N N 27 118.548 117.319 1.229 2
1 233 . 1 1 A 27 27 THR H H 27 7.008 7.950 -0.942 2
1 234 . 1 1 A 27 27 THR CA C 27 65.197 66.762 -1.565 2
1 235 . 1 1 A 27 27 THR HA H 27 3.907 3.935 -0.028 2
1 236 . 1 1 A 27 27 THR CB C 27 67.801 68.476 -0.675 2
1 242 . 1 1 A 27 27 THR C C 27 176.751 176.110 0.641 2
1 243 . 1 1 A 28 28 LEU N N 28 123.662 121.814 1.848 2
1 244 . 1 1 A 28 28 LEU H H 28 7.093 7.682 -0.589 2
1 245 . 1 1 A 28 28 LEU CA C 28 58.213 57.275 0.938 2
1 246 . 1 1 A 28 28 LEU HA H 28 3.176 2.812 0.364 2
1 247 . 1 1 A 28 28 LEU CB C 28 39.863 41.340 -1.477 2
1 260 . 1 1 A 28 28 LEU C C 28 177.749 178.217 -0.468 2
1 261 . 1 1 A 29 29 SER N N 29 114.674 115.037 -0.362 2
1 262 . 1 1 A 29 29 SER H H 29 8.358 7.830 0.528 2
1 263 . 1 1 A 29 29 SER CA C 29 61.767 61.754 0.013 2
1 264 . 1 1 A 29 29 SER HA H 29 4.257 4.036 0.221 2
1 265 . 1 1 A 29 29 SER CB C 29 62.473 62.786 -0.313 2
1 268 . 1 1 A 29 29 SER C C 29 177.197 176.951 0.246 2
1 269 . 1 1 A 30 30 MET N N 30 119.515 119.581 -0.066 2
1 270 . 1 1 A 30 30 MET H H 30 7.554 8.114 -0.560 2
1 271 . 1 1 A 30 30 MET CA C 30 58.170 57.906 0.264 2
1 272 . 1 1 A 30 30 MET HA H 30 4.152 4.163 -0.011 2
1 273 . 1 1 A 30 30 MET CB C 30 31.955 32.136 -0.181 2
1 283 . 1 1 A 30 30 MET C C 30 178.556 178.312 0.244 2
1 284 . 1 1 A 31 31 HIS N N 31 120.563 120.317 0.246 2
1 285 . 1 1 A 31 31 HIS H H 31 7.889 8.069 -0.180 2
1 286 . 1 1 A 31 31 HIS CA C 31 59.232 58.918 0.314 2
1 287 . 1 1 A 31 31 HIS HA H 31 4.172 4.180 -0.008 2
1 288 . 1 1 A 31 31 HIS CB C 31 28.113 30.041 -1.928 2
1 295 . 1 1 A 31 31 HIS C C 31 176.443 177.275 -0.832 2
1 296 . 1 1 A 32 32 GLN N N 32 115.497 117.571 -2.074 2
1 297 . 1 1 A 32 32 GLN H H 32 8.418 8.573 -0.155 2
1 298 . 1 1 A 32 32 GLN CA C 32 59.471 59.196 0.275 2
1 299 . 1 1 A 32 32 GLN HA H 32 3.685 3.946 -0.261 2
1 300 . 1 1 A 32 32 GLN CB C 32 28.425 28.320 0.105 2
1 309 . 1 1 A 32 32 GLN C C 32 177.567 178.316 -0.749 2
1 310 . 1 1 A 33 33 ARG N N 33 117.423 117.799 -0.375 2
1 311 . 1 1 A 33 33 ARG H H 33 7.210 8.042 -0.832 2
1 312 . 1 1 A 33 33 ARG CA C 33 59.089 58.756 0.333 2
1 313 . 1 1 A 33 33 ARG HA H 33 3.923 4.061 -0.138 2
1 314 . 1 1 A 33 33 ARG CB C 33 30.078 30.124 -0.046 2
1 322 . 1 1 A 33 33 ARG C C 33 178.760 177.788 0.972 2
1 323 . 1 1 A 34 34 ILE N N 34 116.545 115.883 0.662 2
1 324 . 1 1 A 34 34 ILE H H 34 7.752 7.942 -0.190 2
1 325 . 1 1 A 34 34 ILE CA C 34 63.271 63.717 -0.446 2
1 326 . 1 1 A 34 34 ILE HA H 34 3.948 3.745 0.203 2
1 327 . 1 1 A 34 34 ILE CB C 34 37.597 37.245 0.352 2
1 340 . 1 1 A 34 34 ILE C C 34 177.960 177.120 0.840 2
1 341 . 1 1 A 35 35 HIS N N 35 117.514 119.676 -2.162 2
1 342 . 1 1 A 35 35 HIS H H 35 7.073 7.807 -0.734 2
1 343 . 1 1 A 35 35 HIS CA C 35 55.599 58.015 -2.416 2
1 344 . 1 1 A 35 35 HIS HA H 35 4.745 4.466 0.279 2
1 345 . 1 1 A 35 35 HIS CB C 35 28.499 30.679 -2.180 2
1 352 . 1 1 A 35 35 HIS C C 35 175.514 176.064 -0.550 2
1 353 . 1 1 A 36 36 ARG N N 36 118.480 117.304 1.176 2
1 354 . 1 1 A 36 36 ARG H H 36 7.543 7.912 -0.369 2
1 355 . 1 1 A 36 36 ARG CA C 36 56.414 56.209 0.205 2
1 356 . 1 1 A 36 36 ARG HA H 36 4.409 4.309 0.100 2
1 357 . 1 1 A 36 36 ARG CB C 36 30.891 30.314 0.577 2
1 366 . 1 1 A 36 36 ARG C C 36 176.661 176.225 0.436 2
1 367 . 1 1 A 37 37 GLY N N 37 108.655 109.933 -1.278 2
1 368 . 1 1 A 37 37 GLY H H 37 8.122 8.202 -0.080 2
1 369 . 1 1 A 37 37 GLY CA C 37 45.393 45.492 -0.099 2
1 370 . 1 1 A 37 37 GLY HA2 H 37 3.969 4.037 -0.068 2
1 371 . 1 1 A 37 37 GLY HA3 H 37 3.969 4.043 -0.074 2
1 372 . 1 1 A 37 37 GLY C C 37 174.101 173.572 0.529 2
1 373 . 1 1 A 38 38 GLU N N 38 120.249 121.051 -0.802 2
1 374 . 1 1 A 38 38 GLU H H 38 8.035 8.307 -0.272 2
1 375 . 1 1 A 38 38 GLU CA C 38 56.257 56.293 -0.036 2
1 376 . 1 1 A 38 38 GLU HA H 38 4.280 4.506 -0.226 2
1 377 . 1 1 A 38 38 GLU CB C 38 30.620 30.912 -0.292 2
1 383 . 1 1 A 38 38 GLU C C 38 176.208 175.723 0.485 2
1 384 . 1 1 A 39 39 LYS N N 39 123.351 121.574 1.777 2
1 385 . 1 1 A 39 39 LYS H H 39 8.388 8.389 -0.001 2
1 386 . 1 1 A 39 39 LYS CA C 39 54.120 54.130 -0.010 2
1 387 . 1 1 A 39 39 LYS HA H 39 4.601 4.547 0.054 2
1 388 . 1 1 A 39 39 LYS CB C 39 32.529 33.123 -0.594 2
1 400 . 1 1 A 39 39 LYS C C 39 174.534 175.111 -0.577 2
1 401 . 1 1 A 40 40 PRO CA C 40 63.272 63.273 -0.001 2
1 402 . 1 1 A 40 40 PRO HA H 40 4.457 4.586 -0.129 2
1 403 . 1 1 A 40 40 PRO CB C 40 32.172 31.857 0.315 2
1 412 . 1 1 A 40 40 PRO C C 40 176.936 176.443 0.493 2
1 413 . 1 1 A 41 41 SER N N 41 116.372 115.762 0.610 2
1 414 . 1 1 A 41 41 SER H H 41 8.453 8.331 0.122 2
1 415 . 1 1 A 41 41 SER CA C 41 58.319 58.523 -0.204 2
1 416 . 1 1 A 41 41 SER HA H 41 4.479 4.661 -0.182 2
1 417 . 1 1 A 41 41 SER CB C 41 63.968 64.461 -0.493 2
1 419 . 1 1 A 41 41 SER C C 41 174.592 174.342 0.250 2
1 420 . 1 1 A 42 42 GLY CA C 42 44.667 45.112 -0.445 2
1 421 . 1 1 A 42 42 GLY HA2 H 42 4.124 4.104 0.020 2
1 422 . 1 1 A 42 42 GLY HA3 H 42 4.124 4.104 0.020 2
1 423 . 1 1 A 43 43 PRO CA C 43 63.273 63.343 -0.070 2
1 424 . 1 1 A 43 43 PRO HA H 43 4.461 4.503 -0.042 2
1 425 . 1 1 A 43 43 PRO CB C 43 32.217 32.108 0.109 2
1 434 . 1 1 A 45 45 SER CA C 45 58.367 58.581 -0.214 2
1 435 . 1 1 A 45 45 SER HA H 45 4.466 4.594 -0.128 2
1 436 . 1 1 A 45 45 SER CB C 45 63.999 63.852 0.147 2
1 439 . 1 1 A 45 45 SER C C 45 173.901 174.612 -0.711 2
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