Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 1439
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_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 $sample_one . 1439 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 27 27 LEU HB2 H 1 6.64 . . 1 . . . . . . . . 1439 1
2 . 1 1 27 27 LEU HB3 H 1 8.39 . . 1 . . . . . . . . 1439 1
3 . 1 1 27 27 LEU HD11 H 1 .29 . . 1 . . . . . . . . 1439 1
4 . 1 1 27 27 LEU HD12 H 1 .29 . . 1 . . . . . . . . 1439 1
5 . 1 1 27 27 LEU HD13 H 1 .29 . . 1 . . . . . . . . 1439 1
6 . 1 1 27 27 LEU HD21 H 1 1.08 . . 1 . . . . . . . . 1439 1
7 . 1 1 27 27 LEU HD22 H 1 1.08 . . 1 . . . . . . . . 1439 1
8 . 1 1 27 27 LEU HD23 H 1 1.08 . . 1 . . . . . . . . 1439 1
9 . 1 1 41 41 CYS HA H 1 3.2 . . 1 . . . . . . . . 1439 1
10 . 1 1 41 41 CYS HB2 H 1 24.72 . . 1 . . . . . . . . 1439 1
11 . 1 1 41 41 CYS HB3 H 1 24.72 . . 1 . . . . . . . . 1439 1
12 . 1 1 42 42 ARG HA H 1 12.57 . . 1 . . . . . . . . 1439 1
13 . 1 1 42 42 ARG HB2 H 1 .055 . . 1 . . . . . . . . 1439 1
14 . 1 1 42 42 ARG HB3 H 1 1.77 . . 1 . . . . . . . . 1439 1
15 . 1 1 42 42 ARG HG2 H 1 4.2 . . 1 . . . . . . . . 1439 1
16 . 1 1 42 42 ARG HG3 H 1 5.47 . . 1 . . . . . . . . 1439 1
17 . 1 1 43 43 ALA HB1 H 1 -.56 . . 1 . . . . . . . . 1439 1
18 . 1 1 43 43 ALA HB2 H 1 -.56 . . 1 . . . . . . . . 1439 1
19 . 1 1 43 43 ALA HB3 H 1 -.56 . . 1 . . . . . . . . 1439 1
20 . 1 1 46 46 CYS HA H 1 5 . . 1 . . . . . . . . 1439 1
21 . 1 1 46 46 CYS HB2 H 1 19.97 . . 1 . . . . . . . . 1439 1
22 . 1 1 46 46 CYS HB3 H 1 16.89 . . 1 . . . . . . . . 1439 1
23 . 1 1 79 79 CYS HA H 1 18.04 . . 1 . . . . . . . . 1439 1
stop_
save_