data_16370_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16370 _Entry.PDB_ID 2KKQ _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.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 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 0 0.000 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 0 0.000 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 0 0.000 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 0 0.000 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 0 0.000 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 0 0.000 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 0 0.000 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 0 0.000 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 0 0.000 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 0 0.000 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 61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1 62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1 63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1 64 1 11 1 "RMS(OBS, PRED)" H 0 0.000 1 65 1 11 1 "RMS(OBS, PRED)" HA 0 0.000 1 66 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1 67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1 68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1 69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1 70 1 12 1 "RMS(OBS, PRED)" H 0 0.000 1 71 1 12 1 "RMS(OBS, PRED)" HA 0 0.000 1 72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1 73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1 74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1 75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1 76 1 13 1 "RMS(OBS, PRED)" H 0 0.000 1 77 1 13 1 "RMS(OBS, PRED)" HA 0 0.000 1 78 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1 79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1 80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1 81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1 82 1 14 1 "RMS(OBS, PRED)" H 0 0.000 1 83 1 14 1 "RMS(OBS, PRED)" HA 0 0.000 1 84 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1 85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1 86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1 87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1 88 1 15 1 "RMS(OBS, PRED)" H 0 0.000 1 89 1 15 1 "RMS(OBS, PRED)" HA 0 0.000 1 90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1 91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1 92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1 93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1 94 1 16 1 "RMS(OBS, PRED)" H 0 0.000 1 95 1 16 1 "RMS(OBS, PRED)" HA 0 0.000 1 96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1 97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1 98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1 99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1 100 1 17 1 "RMS(OBS, PRED)" H 0 0.000 1 101 1 17 1 "RMS(OBS, PRED)" HA 0 0.000 1 102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1 103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1 104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1 105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1 106 1 18 1 "RMS(OBS, PRED)" H 0 0.000 1 107 1 18 1 "RMS(OBS, PRED)" HA 0 0.000 1 108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1 109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1 110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1 111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1 112 1 19 1 "RMS(OBS, PRED)" H 0 0.000 1 113 1 19 1 "RMS(OBS, PRED)" HA 0 0.000 1 114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1 115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1 116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1 117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1 118 1 20 1 "RMS(OBS, PRED)" H 0 0.000 1 119 1 20 1 "RMS(OBS, PRED)" HA 0 0.000 1 120 1 20 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 stop_ save_