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 667
_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 . 667 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 21 21 ALA HA H 1 5.6 . . 1 . . . . . . . . 667 1
2 . 1 1 21 21 ALA HB1 H 1 2.23 . . 1 . . . . . . . . 667 1
3 . 1 1 21 21 ALA HB2 H 1 2.23 . . 1 . . . . . . . . 667 1
4 . 1 1 21 21 ALA HB3 H 1 2.23 . . 1 . . . . . . . . 667 1
5 . 1 1 25 25 THR HB H 1 5.52 . . 1 . . . . . . . . 667 1
6 . 1 1 25 25 THR HG21 H 1 2.23 . . 1 . . . . . . . . 667 1
7 . 1 1 25 25 THR HG22 H 1 2.23 . . 1 . . . . . . . . 667 1
8 . 1 1 25 25 THR HG23 H 1 2.23 . . 1 . . . . . . . . 667 1
9 . 1 1 49 49 ALA HA H 1 4.3 . . 1 . . . . . . . . 667 1
10 . 1 1 49 49 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 667 1
11 . 1 1 49 49 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 667 1
12 . 1 1 49 49 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 667 1
13 . 1 1 55 55 THR HB H 1 4.8 . . 1 . . . . . . . . 667 1
14 . 1 1 55 55 THR HG21 H 1 1.54 . . 1 . . . . . . . . 667 1
15 . 1 1 55 55 THR HG22 H 1 1.54 . . 1 . . . . . . . . 667 1
16 . 1 1 55 55 THR HG23 H 1 1.54 . . 1 . . . . . . . . 667 1
17 . 1 1 57 57 ALA HA H 1 4.1 . . 1 . . . . . . . . 667 1
18 . 1 1 57 57 ALA HB1 H 1 1.67 . . 1 . . . . . . . . 667 1
19 . 1 1 57 57 ALA HB2 H 1 1.67 . . 1 . . . . . . . . 667 1
20 . 1 1 57 57 ALA HB3 H 1 1.67 . . 1 . . . . . . . . 667 1
21 . 1 1 69 69 THR HB H 1 4.3 . . 1 . . . . . . . . 667 1
22 . 1 1 69 69 THR HG21 H 1 1.44 . . 1 . . . . . . . . 667 1
23 . 1 1 69 69 THR HG22 H 1 1.44 . . 1 . . . . . . . . 667 1
24 . 1 1 69 69 THR HG23 H 1 1.44 . . 1 . . . . . . . . 667 1
25 . 1 1 84 84 THR HB H 1 5.82 . . 1 . . . . . . . . 667 1
26 . 1 1 84 84 THR HG21 H 1 3.54 . . 1 . . . . . . . . 667 1
27 . 1 1 84 84 THR HG22 H 1 3.54 . . 1 . . . . . . . . 667 1
28 . 1 1 84 84 THR HG23 H 1 3.54 . . 1 . . . . . . . . 667 1
29 . 1 1 87 87 ALA HA H 1 5.2 . . 1 . . . . . . . . 667 1
30 . 1 1 87 87 ALA HB1 H 1 1.3 . . 1 . . . . . . . . 667 1
31 . 1 1 87 87 ALA HB2 H 1 1.3 . . 1 . . . . . . . . 667 1
32 . 1 1 87 87 ALA HB3 H 1 1.3 . . 1 . . . . . . . . 667 1
33 . 1 1 107 107 ALA HA H 1 4.1 . . 1 . . . . . . . . 667 1
34 . 1 1 107 107 ALA HB1 H 1 .7 . . 1 . . . . . . . . 667 1
35 . 1 1 107 107 ALA HB2 H 1 .7 . . 1 . . . . . . . . 667 1
36 . 1 1 107 107 ALA HB3 H 1 .7 . . 1 . . . . . . . . 667 1
stop_
save_