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 393
_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 . 393 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 1 1 ALA HA H 1 4.02 . . 1 . . . . . . . . 393 1
2 . 1 1 1 1 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 393 1
3 . 1 1 1 1 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 393 1
4 . 1 1 1 1 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 393 1
5 . 1 1 2 2 GLN HA H 1 4.36 . . 1 . . . . . . . . 393 1
6 . 1 1 2 2 GLN HB2 H 1 2.1 . . 2 . . . . . . . . 393 1
7 . 1 1 2 2 GLN HB3 H 1 1.98 . . 2 . . . . . . . . 393 1
8 . 1 1 2 2 GLN HG2 H 1 2.37 . . 1 . . . . . . . . 393 1
9 . 1 1 2 2 GLN HG3 H 1 2.37 . . 1 . . . . . . . . 393 1
10 . 1 1 3 3 GLN HA H 1 4.36 . . 1 . . . . . . . . 393 1
11 . 1 1 3 3 GLN HB2 H 1 1.98 . . 2 . . . . . . . . 393 1
12 . 1 1 3 3 GLN HB3 H 1 2.1 . . 2 . . . . . . . . 393 1
13 . 1 1 3 3 GLN HG2 H 1 2.37 . . 1 . . . . . . . . 393 1
14 . 1 1 3 3 GLN HG3 H 1 2.37 . . 1 . . . . . . . . 393 1
15 . 1 1 4 4 SER HA H 1 4.78 . . 1 . . . . . . . . 393 1
16 . 1 1 4 4 SER HB2 H 1 3.92 . . 2 . . . . . . . . 393 1
17 . 1 1 4 4 SER HB3 H 1 3.85 . . 2 . . . . . . . . 393 1
18 . 1 1 5 5 PRO HA H 1 4.4 . . 1 . . . . . . . . 393 1
19 . 1 1 5 5 PRO HB2 H 1 1.72 . . 2 . . . . . . . . 393 1
20 . 1 1 5 5 PRO HB3 H 1 2.2 . . 2 . . . . . . . . 393 1
21 . 1 1 5 5 PRO HG2 H 1 1.82 . . 2 . . . . . . . . 393 1
22 . 1 1 5 5 PRO HG3 H 1 1.95 . . 2 . . . . . . . . 393 1
23 . 1 1 5 5 PRO HD2 H 1 3.64 . . 2 . . . . . . . . 393 1
24 . 1 1 5 5 PRO HD3 H 1 3.75 . . 2 . . . . . . . . 393 1
25 . 1 1 6 6 TYR HA H 1 4.56 . . 1 . . . . . . . . 393 1
26 . 1 1 6 6 TYR HB2 H 1 2.94 . . 2 . . . . . . . . 393 1
27 . 1 1 6 6 TYR HB3 H 1 3.07 . . 2 . . . . . . . . 393 1
28 . 1 1 6 6 TYR HD1 H 1 7.12 . . 1 . . . . . . . . 393 1
29 . 1 1 6 6 TYR HD2 H 1 7.12 . . 1 . . . . . . . . 393 1
30 . 1 1 6 6 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 393 1
31 . 1 1 6 6 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 393 1
stop_
save_