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 243
_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 . 243 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 5 5 LYS H H 1 8.09 . . 1 . . . . . . . . 243 1
2 . 1 1 5 5 LYS HA H 1 4.01 . . 1 . . . . . . . . 243 1
3 . 1 1 5 5 LYS HB2 H 1 1.86 . . 1 . . . . . . . . 243 1
4 . 1 1 5 5 LYS HB3 H 1 1.86 . . 1 . . . . . . . . 243 1
5 . 1 1 6 6 GLY H H 1 8.84 . . 1 . . . . . . . . 243 1
6 . 1 1 6 6 GLY HA2 H 1 3.56 . . 2 . . . . . . . . 243 1
7 . 1 1 6 6 GLY HA3 H 1 4.2 . . 2 . . . . . . . . 243 1
8 . 1 1 7 7 LYS H H 1 8.06 . . 1 . . . . . . . . 243 1
9 . 1 1 7 7 LYS HA H 1 3.58 . . 1 . . . . . . . . 243 1
10 . 1 1 7 7 LYS HB2 H 1 1.9 . . 1 . . . . . . . . 243 1
11 . 1 1 7 7 LYS HB3 H 1 1.9 . . 1 . . . . . . . . 243 1
12 . 1 1 8 8 LYS H H 1 7.03 . . 1 . . . . . . . . 243 1
13 . 1 1 8 8 LYS HA H 1 3.96 . . 1 . . . . . . . . 243 1
14 . 1 1 8 8 LYS HB2 H 1 1.98 . . 1 . . . . . . . . 243 1
15 . 1 1 8 8 LYS HB3 H 1 1.98 . . 1 . . . . . . . . 243 1
16 . 1 1 9 9 ILE H H 1 7.77 . . 1 . . . . . . . . 243 1
17 . 1 1 9 9 ILE HA H 1 3.88 . . 1 . . . . . . . . 243 1
18 . 1 1 9 9 ILE HB H 1 2.18 . . 1 . . . . . . . . 243 1
19 . 1 1 9 9 ILE HG12 H 1 1.29 . . 1 . . . . . . . . 243 1
20 . 1 1 9 9 ILE HG13 H 1 1.29 . . 1 . . . . . . . . 243 1
21 . 1 1 9 9 ILE HG21 H 1 1.13 . . 1 . . . . . . . . 243 1
22 . 1 1 9 9 ILE HG22 H 1 1.13 . . 1 . . . . . . . . 243 1
23 . 1 1 9 9 ILE HG23 H 1 1.13 . . 1 . . . . . . . . 243 1
24 . 1 1 10 10 PHE H H 1 8.68 . . 1 . . . . . . . . 243 1
25 . 1 1 10 10 PHE HA H 1 4.07 . . 1 . . . . . . . . 243 1
26 . 1 1 10 10 PHE HB2 H 1 3.14 . . 2 . . . . . . . . 243 1
27 . 1 1 10 10 PHE HB3 H 1 3.02 . . 2 . . . . . . . . 243 1
28 . 1 1 11 11 VAL H H 1 8.78 . . 1 . . . . . . . . 243 1
29 . 1 1 11 11 VAL HA H 1 3.6 . . 1 . . . . . . . . 243 1
30 . 1 1 11 11 VAL HB H 1 2.21 . . 1 . . . . . . . . 243 1
31 . 1 1 11 11 VAL HG11 H 1 .98 . . 2 . . . . . . . . 243 1
32 . 1 1 11 11 VAL HG12 H 1 .98 . . 2 . . . . . . . . 243 1
33 . 1 1 11 11 VAL HG13 H 1 .98 . . 2 . . . . . . . . 243 1
34 . 1 1 11 11 VAL HG21 H 1 1.16 . . 2 . . . . . . . . 243 1
35 . 1 1 11 11 VAL HG22 H 1 1.16 . . 2 . . . . . . . . 243 1
36 . 1 1 11 11 VAL HG23 H 1 1.16 . . 2 . . . . . . . . 243 1
37 . 1 1 12 12 GLN H H 1 7.95 . . 1 . . . . . . . . 243 1
38 . 1 1 12 12 GLN HA H 1 4.25 . . 1 . . . . . . . . 243 1
39 . 1 1 12 12 GLN HB2 H 1 2.33 . . 1 . . . . . . . . 243 1
40 . 1 1 12 12 GLN HB3 H 1 2.33 . . 1 . . . . . . . . 243 1
41 . 1 1 12 12 GLN HG2 H 1 2.71 . . 1 . . . . . . . . 243 1
42 . 1 1 12 12 GLN HG3 H 1 2.71 . . 1 . . . . . . . . 243 1
43 . 1 1 13 13 LYS H H 1 8.97 . . 1 . . . . . . . . 243 1
44 . 1 1 13 13 LYS HA H 1 5.07 . . 1 . . . . . . . . 243 1
45 . 1 1 13 13 LYS HB2 H 1 2.11 . . 1 . . . . . . . . 243 1
46 . 1 1 13 13 LYS HB3 H 1 2.11 . . 1 . . . . . . . . 243 1
47 . 1 1 14 14 CYS H H 1 8.35 . . 1 . . . . . . . . 243 1
48 . 1 1 14 14 CYS HA H 1 5.35 . . 1 . . . . . . . . 243 1
49 . 1 1 14 14 CYS HB2 H 1 1.15 . . 1 . . . . . . . . 243 1
50 . 1 1 14 14 CYS HB3 H 1 1.15 . . 1 . . . . . . . . 243 1
51 . 1 1 15 15 ALA H H 1 7.42 . . 1 . . . . . . . . 243 1
52 . 1 1 15 15 ALA HA H 1 3.94 . . 1 . . . . . . . . 243 1
53 . 1 1 15 15 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 243 1
54 . 1 1 15 15 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 243 1
55 . 1 1 15 15 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 243 1
stop_
save_