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 595
_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 . 595 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 11 11 TRP HA H 1 5.6 . . 1 . . . . . . . . 595 1
2 . 1 1 11 11 TRP HD1 H 1 7.34 . . 1 . . . . . . . . 595 1
3 . 1 1 11 11 TRP HE3 H 1 7.36 . . 1 . . . . . . . . 595 1
4 . 1 1 11 11 TRP HZ2 H 1 7.53 . . 1 . . . . . . . . 595 1
5 . 1 1 11 11 TRP HZ3 H 1 7.14 . . 1 . . . . . . . . 595 1
6 . 1 1 11 11 TRP HH2 H 1 7.21 . . 1 . . . . . . . . 595 1
7 . 1 1 20 20 LEU HA H 1 4.81 . . 1 . . . . . . . . 595 1
8 . 1 1 21 21 CYS H H 1 9.05 . . 1 . . . . . . . . 595 1
9 . 1 1 21 21 CYS HA H 1 6.1 . . 1 . . . . . . . . 595 1
10 . 1 1 22 22 TYR H H 1 9.28 . . 1 . . . . . . . . 595 1
11 . 1 1 22 22 TYR HA H 1 6.23 . . 1 . . . . . . . . 595 1
12 . 1 1 22 22 TYR HD1 H 1 6.77 . . 1 . . . . . . . . 595 1
13 . 1 1 22 22 TYR HD2 H 1 6.77 . . 1 . . . . . . . . 595 1
14 . 1 1 22 22 TYR HE1 H 1 6.68 . . 1 . . . . . . . . 595 1
15 . 1 1 22 22 TYR HE2 H 1 6.68 . . 1 . . . . . . . . 595 1
16 . 1 1 23 23 LYS H H 1 9.32 . . 1 . . . . . . . . 595 1
17 . 1 1 23 23 LYS HA H 1 4.79 . . 1 . . . . . . . . 595 1
18 . 1 1 38 38 CYS HA H 1 5.96 . . 1 . . . . . . . . 595 1
19 . 1 1 39 39 ILE H H 1 9.84 . . 1 . . . . . . . . 595 1
20 . 1 1 39 39 ILE HA H 1 4.37 . . 1 . . . . . . . . 595 1
21 . 1 1 39 39 ILE HD11 H 1 .3 . . 1 . . . . . . . . 595 1
22 . 1 1 39 39 ILE HD12 H 1 .3 . . 1 . . . . . . . . 595 1
23 . 1 1 39 39 ILE HD13 H 1 .3 . . 1 . . . . . . . . 595 1
24 . 1 1 51 51 TYR HD1 H 1 6.84 . . 1 . . . . . . . . 595 1
25 . 1 1 51 51 TYR HD2 H 1 6.84 . . 1 . . . . . . . . 595 1
26 . 1 1 51 51 TYR HE1 H 1 6.71 . . 1 . . . . . . . . 595 1
27 . 1 1 51 51 TYR HE2 H 1 6.71 . . 1 . . . . . . . . 595 1
28 . 1 1 53 53 CYS HA H 1 5.85 . . 1 . . . . . . . . 595 1
29 . 1 1 54 54 CYS H H 1 9.22 . . 1 . . . . . . . . 595 1
30 . 1 1 54 54 CYS HA H 1 5.1 . . 1 . . . . . . . . 595 1
stop_
save_