data_16190_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16190 _Entry.PDB_ID 2KFX _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 10 _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 8 . 1 1 1 T 7 7 ALA CB C 7 18.147 17.974 0.173 1 1 20 . 1 1 1 T 22 22 ALA CB C 22 18.069 18.307 -0.238 1 1 24 . 1 1 1 T 23 23 ALA CB C 23 18.576 18.372 0.204 1 1 36 . 1 1 1 T 31 31 ALA CB C 31 19.528 20.078 -0.550 1 1 8 . 2 1 1 T 7 7 ALA CB C 7 18.147 18.069 0.078 1 1 20 . 2 1 1 T 22 22 ALA CB C 22 18.069 18.275 -0.206 1 1 24 . 2 1 1 T 23 23 ALA CB C 23 18.576 18.528 0.048 1 1 36 . 2 1 1 T 31 31 ALA CB C 31 19.528 19.242 0.286 1 1 8 . 3 1 1 T 7 7 ALA CB C 7 18.147 17.929 0.218 1 1 20 . 3 1 1 T 22 22 ALA CB C 22 18.069 18.403 -0.334 1 1 24 . 3 1 1 T 23 23 ALA CB C 23 18.576 18.594 -0.018 1 1 36 . 3 1 1 T 31 31 ALA CB C 31 19.528 19.283 0.245 1 1 8 . 4 1 1 T 7 7 ALA CB C 7 18.147 18.332 -0.185 1 1 20 . 4 1 1 T 22 22 ALA CB C 22 18.069 18.241 -0.172 1 1 24 . 4 1 1 T 23 23 ALA CB C 23 18.576 18.424 0.152 1 1 36 . 4 1 1 T 31 31 ALA CB C 31 19.528 19.977 -0.449 1 1 8 . 5 1 1 T 7 7 ALA CB C 7 18.147 18.109 0.038 1 1 20 . 5 1 1 T 22 22 ALA CB C 22 18.069 18.338 -0.269 1 1 24 . 5 1 1 T 23 23 ALA CB C 23 18.576 18.529 0.047 1 1 36 . 5 1 1 T 31 31 ALA CB C 31 19.528 20.058 -0.530 1 1 8 . 6 1 1 T 7 7 ALA CB C 7 18.147 17.830 0.317 1 1 20 . 6 1 1 T 22 22 ALA CB C 22 18.069 18.329 -0.260 1 1 24 . 6 1 1 T 23 23 ALA CB C 23 18.576 18.660 -0.084 1 1 36 . 6 1 1 T 31 31 ALA CB C 31 19.528 19.143 0.385 1 1 8 . 7 1 1 T 7 7 ALA CB C 7 18.147 18.156 -0.009 1 1 20 . 7 1 1 T 22 22 ALA CB C 22 18.069 18.539 -0.470 1 1 24 . 7 1 1 T 23 23 ALA CB C 23 18.576 18.982 -0.406 1 1 36 . 7 1 1 T 31 31 ALA CB C 31 19.528 19.889 -0.361 1 1 8 . 8 1 1 T 7 7 ALA CB C 7 18.147 18.180 -0.033 1 1 20 . 8 1 1 T 22 22 ALA CB C 22 18.069 18.355 -0.286 1 1 24 . 8 1 1 T 23 23 ALA CB C 23 18.576 18.703 -0.127 1 1 36 . 8 1 1 T 31 31 ALA CB C 31 19.528 20.475 -0.947 1 1 8 . 9 1 1 T 7 7 ALA CB C 7 18.147 18.144 0.003 1 1 20 . 9 1 1 T 22 22 ALA CB C 22 18.069 18.393 -0.324 1 1 24 . 9 1 1 T 23 23 ALA CB C 23 18.576 18.428 0.148 1 1 36 . 9 1 1 T 31 31 ALA CB C 31 19.528 20.239 -0.711 1 1 8 . 10 1 1 T 7 7 ALA CB C 7 18.147 18.195 -0.048 1 1 20 . 10 1 1 T 22 22 ALA CB C 22 18.069 18.568 -0.499 1 1 24 . 10 1 1 T 23 23 ALA CB C 23 18.576 18.763 -0.187 1 1 36 . 10 1 1 T 31 31 ALA CB C 31 19.528 20.320 -0.792 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1 2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1 3 1 1 1 "RMS(OBS, PRED)" CB 4 0.379 1 4 1 1 1 "RMS(OBS, PRED)" H 0 0.000 1 5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1 6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1 7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1 8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1 9 1 2 1 "RMS(OBS, PRED)" CB 4 0.210 1 10 1 2 1 "RMS(OBS, PRED)" H 0 0.000 1 11 1 2 1 "RMS(OBS, PRED)" HA 0 0.000 1 12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1 13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1 14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1 15 1 3 1 "RMS(OBS, PRED)" CB 4 0.270 1 16 1 3 1 "RMS(OBS, PRED)" H 0 0.000 1 17 1 3 1 "RMS(OBS, PRED)" HA 0 0.000 1 18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1 19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1 20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1 21 1 4 1 "RMS(OBS, PRED)" CB 4 0.310 1 22 1 4 1 "RMS(OBS, PRED)" H 0 0.000 1 23 1 4 1 "RMS(OBS, PRED)" HA 0 0.000 1 24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1 25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1 26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1 27 1 5 1 "RMS(OBS, PRED)" CB 4 0.345 1 28 1 5 1 "RMS(OBS, PRED)" H 0 0.000 1 29 1 5 1 "RMS(OBS, PRED)" HA 0 0.000 1 30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1 31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1 32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1 33 1 6 1 "RMS(OBS, PRED)" CB 4 0.328 1 34 1 6 1 "RMS(OBS, PRED)" H 0 0.000 1 35 1 6 1 "RMS(OBS, PRED)" HA 0 0.000 1 36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1 37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1 38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1 39 1 7 1 "RMS(OBS, PRED)" CB 4 0.415 1 40 1 7 1 "RMS(OBS, PRED)" H 0 0.000 1 41 1 7 1 "RMS(OBS, PRED)" HA 0 0.000 1 42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1 43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1 44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1 45 1 8 1 "RMS(OBS, PRED)" CB 4 0.576 1 46 1 8 1 "RMS(OBS, PRED)" H 0 0.000 1 47 1 8 1 "RMS(OBS, PRED)" HA 0 0.000 1 48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1 49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1 50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1 51 1 9 1 "RMS(OBS, PRED)" CB 4 0.459 1 52 1 9 1 "RMS(OBS, PRED)" H 0 0.000 1 53 1 9 1 "RMS(OBS, PRED)" HA 0 0.000 1 54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1 55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1 56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1 57 1 10 1 "RMS(OBS, PRED)" CB 4 0.552 1 58 1 10 1 "RMS(OBS, PRED)" H 0 0.000 1 59 1 10 1 "RMS(OBS, PRED)" HA 0 0.000 1 60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 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 8 . 1 1 T 7 7 ALA CB C 7 18.147 18.092 0.055 2 1 20 . 1 1 T 22 22 ALA CB C 22 18.069 18.375 -0.306 2 1 24 . 1 1 T 23 23 ALA CB C 23 18.576 18.598 -0.022 2 1 36 . 1 1 T 31 31 ALA CB C 31 19.528 19.870 -0.342 2 stop_ save_