Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30472
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err 0.5
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 13C-13C DARR' . . . 30472 1
2 '2D water Edited DARR' . . . 30472 1
3 '13C-19F REDOR' . . . 30472 1
4 '2D water Edited DARR' . . . 30472 1
5 '19F CODEX' . . . 30472 1
6 '19F CODEX' . . . 30472 1
7 '19F CODEX' . . . 30472 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 5 5 LEU C C 13 175.8 0.5 . 1 . . . . A 5 LEU C . 30472 1
2 . 1 . 1 5 5 LEU CA C 13 55.1 0.5 . 1 . . . . A 5 LEU CA . 30472 1
3 . 1 . 1 5 5 LEU CB C 13 40.2 0.5 . 1 . . . . A 5 LEU CB . 30472 1
4 . 1 . 1 5 5 LEU CG C 13 24.6 0.5 . 1 . . . . A 5 LEU CG . 30472 1
5 . 1 . 1 5 5 LEU CD1 C 13 23.1 0.8 . 2 . . . . A 5 LEU CD1 . 30472 1
6 . 1 . 1 5 5 LEU CD2 C 13 22.1 0.8 . 2 . . . . A 5 LEU CD2 . 30472 1
7 . 1 . 1 20 20 LEU C C 13 175.8 0.5 . 1 . . . . A 20 LEU C . 30472 1
8 . 1 . 1 20 20 LEU CA C 13 55.9 0.5 . 1 . . . . A 20 LEU CA . 30472 1
9 . 1 . 1 20 20 LEU CB C 13 38.8 0.5 . 1 . . . . A 20 LEU CB . 30472 1
10 . 1 . 1 20 20 LEU CG C 13 24.8 0.5 . 1 . . . . A 20 LEU CG . 30472 1
11 . 1 . 1 20 20 LEU CD1 C 13 21.6 0.8 . 2 . . . . A 20 LEU CD1 . 30472 1
12 . 1 . 1 20 20 LEU CD2 C 13 21.6 0.8 . 2 . . . . A 20 LEU CD2 . 30472 1
13 . 1 . 1 22 22 ILE C C 13 175.7 0.5 . 1 . . . . A 22 ILE C . 30472 1
14 . 1 . 1 22 22 ILE CA C 13 63.6 0.5 . 1 . . . . A 22 ILE CA . 30472 1
15 . 1 . 1 22 22 ILE CB C 13 35.5 0.5 . 1 . . . . A 22 ILE CB . 30472 1
16 . 1 . 1 22 22 ILE CG1 C 13 27.8 0.5 . 1 . . . . A 22 ILE CG1 . 30472 1
17 . 1 . 1 22 22 ILE CG2 C 13 15.8 0.5 . 1 . . . . A 22 ILE CG2 . 30472 1
18 . 1 . 1 22 22 ILE CD1 C 13 12.1 0.5 . 1 . . . . A 22 ILE CD1 . 30472 1
19 . 1 . 1 30 30 GLY C C 13 173.0 0.5 . 1 . . . . A 30 GLY C . 30472 1
20 . 1 . 1 30 30 GLY CA C 13 45.8 0.5 . 1 . . . . A 30 GLY CA . 30472 1
21 . 1 . 1 36 36 ALA C C 13 178.5 0.5 . 1 . . . . A 36 ALA C . 30472 1
22 . 1 . 1 36 36 ALA CA C 13 53.0 0.5 . 1 . . . . A 36 ALA CA . 30472 1
23 . 1 . 1 36 36 ALA CB C 13 16.4 0.5 . 1 . . . . A 36 ALA CB . 30472 1
stop_
save_