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 1518
_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 . 1518 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 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 1518 1
2 . 1 1 1 1 GLU HG3 H 1 2.42 . . 1 . . . . . . . . 1518 1
3 . 1 1 9 9 ILE H H 1 8.32 . . 1 . . . . . . . . 1518 1
4 . 1 1 9 9 ILE HA H 1 4.42 . . 1 . . . . . . . . 1518 1
5 . 1 1 9 9 ILE HB H 1 1.86 . . 1 . . . . . . . . 1518 1
6 . 1 1 9 9 ILE HG12 H 1 1.56 . . 2 . . . . . . . . 1518 1
7 . 1 1 9 9 ILE HG13 H 1 1.2 . . 2 . . . . . . . . 1518 1
8 . 1 1 9 9 ILE HG21 H 1 .97 . . 1 . . . . . . . . 1518 1
9 . 1 1 9 9 ILE HG22 H 1 .97 . . 1 . . . . . . . . 1518 1
10 . 1 1 9 9 ILE HG23 H 1 .97 . . 1 . . . . . . . . 1518 1
11 . 1 1 9 9 ILE HD11 H 1 .88 . . 1 . . . . . . . . 1518 1
12 . 1 1 9 9 ILE HD12 H 1 .88 . . 1 . . . . . . . . 1518 1
13 . 1 1 9 9 ILE HD13 H 1 .88 . . 1 . . . . . . . . 1518 1
14 . 1 1 12 12 PRO HA H 1 4.69 . . 1 . . . . . . . . 1518 1
15 . 1 1 12 12 PRO HB2 H 1 1.9 . . 2 . . . . . . . . 1518 1
16 . 1 1 12 12 PRO HB3 H 1 2.35 . . 2 . . . . . . . . 1518 1
17 . 1 1 16 16 ALA H H 1 8.37 . . 1 . . . . . . . . 1518 1
18 . 1 1 16 16 ALA HA H 1 4.59 . . 1 . . . . . . . . 1518 1
19 . 1 1 16 16 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 1518 1
20 . 1 1 16 16 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 1518 1
21 . 1 1 16 16 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 1518 1
22 . 1 1 17 17 PRO HA H 1 4.44 . . 1 . . . . . . . . 1518 1
23 . 1 1 18 18 VAL H H 1 8.22 . . 1 . . . . . . . . 1518 1
24 . 1 1 18 18 VAL HA H 1 4.05 . . 1 . . . . . . . . 1518 1
25 . 1 1 18 18 VAL HB H 1 2.02 . . 1 . . . . . . . . 1518 1
26 . 1 1 18 18 VAL HG11 H 1 .91 . . 2 . . . . . . . . 1518 1
27 . 1 1 18 18 VAL HG12 H 1 .91 . . 2 . . . . . . . . 1518 1
28 . 1 1 18 18 VAL HG13 H 1 .91 . . 2 . . . . . . . . 1518 1
29 . 1 1 18 18 VAL HG21 H 1 .97 . . 2 . . . . . . . . 1518 1
30 . 1 1 18 18 VAL HG22 H 1 .97 . . 2 . . . . . . . . 1518 1
31 . 1 1 18 18 VAL HG23 H 1 .97 . . 2 . . . . . . . . 1518 1
32 . 1 1 19 19 VAL H H 1 8.3 . . 1 . . . . . . . . 1518 1
33 . 1 1 19 19 VAL HA H 1 4.11 . . 1 . . . . . . . . 1518 1
34 . 1 1 19 19 VAL HB H 1 2.01 . . 1 . . . . . . . . 1518 1
35 . 1 1 19 19 VAL HG11 H 1 .89 . . 2 . . . . . . . . 1518 1
36 . 1 1 19 19 VAL HG12 H 1 .89 . . 2 . . . . . . . . 1518 1
37 . 1 1 19 19 VAL HG13 H 1 .89 . . 2 . . . . . . . . 1518 1
38 . 1 1 19 19 VAL HG21 H 1 .92 . . 2 . . . . . . . . 1518 1
39 . 1 1 19 19 VAL HG22 H 1 .92 . . 2 . . . . . . . . 1518 1
40 . 1 1 19 19 VAL HG23 H 1 .92 . . 2 . . . . . . . . 1518 1
41 . 1 1 20 20 ILE H H 1 8.31 . . 1 . . . . . . . . 1518 1
42 . 1 1 20 20 ILE HA H 1 4.16 . . 1 . . . . . . . . 1518 1
43 . 1 1 20 20 ILE HB H 1 1.83 . . 1 . . . . . . . . 1518 1
44 . 1 1 20 20 ILE HG12 H 1 1.46 . . 2 . . . . . . . . 1518 1
45 . 1 1 20 20 ILE HG13 H 1 1.18 . . 2 . . . . . . . . 1518 1
46 . 1 1 20 20 ILE HG21 H 1 .88 . . 1 . . . . . . . . 1518 1
47 . 1 1 20 20 ILE HG22 H 1 .88 . . 1 . . . . . . . . 1518 1
48 . 1 1 20 20 ILE HG23 H 1 .88 . . 1 . . . . . . . . 1518 1
49 . 1 1 20 20 ILE HD11 H 1 .84 . . 1 . . . . . . . . 1518 1
50 . 1 1 20 20 ILE HD12 H 1 .84 . . 1 . . . . . . . . 1518 1
51 . 1 1 20 20 ILE HD13 H 1 .84 . . 1 . . . . . . . . 1518 1
52 . 1 1 21 21 GLU H H 1 8.46 . . 1 . . . . . . . . 1518 1
53 . 1 1 21 21 GLU HA H 1 4.28 . . 1 . . . . . . . . 1518 1
54 . 1 1 22 22 LYS H H 1 8.35 . . 1 . . . . . . . . 1518 1
55 . 1 1 22 22 LYS HA H 1 4.59 . . 1 . . . . . . . . 1518 1
stop_
save_