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 308
_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 . 308 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 TYR HD1 H 1 6.84 . . 1 . . . . . . . . 308 1
2 . 1 1 11 11 TYR HD2 H 1 6.84 . . 1 . . . . . . . . 308 1
3 . 1 1 11 11 TYR HE1 H 1 6.59 . . 1 . . . . . . . . 308 1
4 . 1 1 11 11 TYR HE2 H 1 6.59 . . 1 . . . . . . . . 308 1
5 . 1 1 12 12 TYR HD1 H 1 6.88 . . 1 . . . . . . . . 308 1
6 . 1 1 12 12 TYR HD2 H 1 6.88 . . 1 . . . . . . . . 308 1
7 . 1 1 12 12 TYR HE1 H 1 6.53 . . 1 . . . . . . . . 308 1
8 . 1 1 12 12 TYR HE2 H 1 6.53 . . 1 . . . . . . . . 308 1
9 . 1 1 20 20 HIS HD2 H 1 6.59 . . 1 . . . . . . . . 308 1
10 . 1 1 20 20 HIS HE1 H 1 8.03 . . 1 . . . . . . . . 308 1
11 . 1 1 27 27 TRP HA H 1 6.14 . . 1 . . . . . . . . 308 1
12 . 1 1 27 27 TRP HD1 H 1 6.93 . . 1 . . . . . . . . 308 1
13 . 1 1 27 27 TRP HE3 H 1 6.74 . . 1 . . . . . . . . 308 1
14 . 1 1 27 27 TRP HZ2 H 1 6.69 . . 1 . . . . . . . . 308 1
15 . 1 1 27 27 TRP HZ3 H 1 5.81 . . 1 . . . . . . . . 308 1
16 . 1 1 27 27 TRP HH2 H 1 6.43 . . 1 . . . . . . . . 308 1
17 . 1 1 34 34 VAL HA H 1 4.52 . . 1 . . . . . . . . 308 1
18 . 1 1 34 34 VAL HB H 1 1.26 . . 1 . . . . . . . . 308 1
19 . 1 1 34 34 VAL HG11 H 1 .27 . . 2 . . . . . . . . 308 1
20 . 1 1 34 34 VAL HG12 H 1 .27 . . 2 . . . . . . . . 308 1
21 . 1 1 34 34 VAL HG13 H 1 .27 . . 2 . . . . . . . . 308 1
22 . 1 1 34 34 VAL HG21 H 1 .67 . . 2 . . . . . . . . 308 1
23 . 1 1 34 34 VAL HG22 H 1 .67 . . 2 . . . . . . . . 308 1
24 . 1 1 34 34 VAL HG23 H 1 .67 . . 2 . . . . . . . . 308 1
25 . 1 1 35 35 TYR HD1 H 1 6.84 . . 1 . . . . . . . . 308 1
26 . 1 1 35 35 TYR HD2 H 1 6.84 . . 1 . . . . . . . . 308 1
27 . 1 1 35 35 TYR HE1 H 1 6.69 . . 1 . . . . . . . . 308 1
28 . 1 1 35 35 TYR HE2 H 1 6.69 . . 1 . . . . . . . . 308 1
29 . 1 1 40 40 PHE HZ H 1 6.8 . . 1 . . . . . . . . 308 1
30 . 1 1 63 63 PHE HD1 H 1 7.15 . . 1 . . . . . . . . 308 1
31 . 1 1 63 63 PHE HD2 H 1 7.15 . . 1 . . . . . . . . 308 1
32 . 1 1 63 63 PHE HE1 H 1 7.24 . . 1 . . . . . . . . 308 1
33 . 1 1 63 63 PHE HE2 H 1 7.24 . . 1 . . . . . . . . 308 1
34 . 1 1 80 80 ILE HA H 1 3.81 . . 1 . . . . . . . . 308 1
35 . 1 1 80 80 ILE HB H 1 1.58 . . 1 . . . . . . . . 308 1
36 . 1 1 80 80 ILE HG12 H 1 .25 . . 2 . . . . . . . . 308 1
37 . 1 1 80 80 ILE HG13 H 1 1.25 . . 2 . . . . . . . . 308 1
38 . 1 1 80 80 ILE HG21 H 1 .77 . . 1 . . . . . . . . 308 1
39 . 1 1 80 80 ILE HG22 H 1 .77 . . 1 . . . . . . . . 308 1
40 . 1 1 80 80 ILE HG23 H 1 .77 . . 1 . . . . . . . . 308 1
41 . 1 1 80 80 ILE HD11 H 1 .79 . . 1 . . . . . . . . 308 1
42 . 1 1 80 80 ILE HD12 H 1 .79 . . 1 . . . . . . . . 308 1
43 . 1 1 80 80 ILE HD13 H 1 .79 . . 1 . . . . . . . . 308 1
44 . 1 1 81 81 ILE HA H 1 4.4 . . 1 . . . . . . . . 308 1
45 . 1 1 81 81 ILE HB H 1 1.62 . . 1 . . . . . . . . 308 1
46 . 1 1 81 81 ILE HG12 H 1 .19 . . 1 . . . . . . . . 308 1
47 . 1 1 81 81 ILE HG13 H 1 .19 . . 1 . . . . . . . . 308 1
48 . 1 1 81 81 ILE HG21 H 1 .53 . . 1 . . . . . . . . 308 1
49 . 1 1 81 81 ILE HG22 H 1 .53 . . 1 . . . . . . . . 308 1
50 . 1 1 81 81 ILE HG23 H 1 .53 . . 1 . . . . . . . . 308 1
51 . 1 1 81 81 ILE HD11 H 1 -.96 . . 1 . . . . . . . . 308 1
52 . 1 1 81 81 ILE HD12 H 1 -.96 . . 1 . . . . . . . . 308 1
53 . 1 1 81 81 ILE HD13 H 1 -.96 . . 1 . . . . . . . . 308 1
54 . 1 1 85 85 HIS HD2 H 1 7 . . 1 . . . . . . . . 308 1
55 . 1 1 85 85 HIS HE1 H 1 7.56 . . 1 . . . . . . . . 308 1
stop_
save_