Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6169
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 '2D NOESY' 1 $sample_1 . 6169 1
2 '2D TOCSY' 1 $sample_1 . 6169 1
3 DQF-COSY 1 $sample_1 . 6169 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.Ambiguity_set_ID
_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 LYS HA H 1 3.928 0.001 . 1 . . . . . 1 . . . 6169 1
2 . 1 1 1 1 LYS HB2 H 1 1.865 0.007 . 1 . . . . . 1 . . . 6169 1
3 . 1 1 1 1 LYS HB3 H 1 1.965 0.005 . 1 . . . . . 1 . . . 6169 1
4 . 1 1 1 1 LYS HD2 H 1 1.716 0.006 . 1 . . . . . 1 . . . 6169 1
5 . 1 1 1 1 LYS HE2 H 1 3.005 0.004 . 1 . . . . . 1 . . . 6169 1
6 . 1 1 1 1 LYS HG2 H 1 1.446 0.005 . 2 . . . . . 1 . . . 6169 1
7 . 1 1 1 1 LYS HG3 H 1 1.381 0.003 . 2 . . . . . 1 . . . 6169 1
8 . 1 1 1 1 LYS H H 1 8.860 0.001 . 1 . . . . . 1 . . . 6169 1
9 . 1 1 2 2 LYS HA H 1 4.306 0.003 . 1 . . . . . 2 . . . 6169 1
10 . 1 1 2 2 LYS HB2 H 1 1.834 0.004 . 1 . . . . . 2 . . . 6169 1
11 . 1 1 2 2 LYS HB3 H 1 1.649 0.004 . 1 . . . . . 2 . . . 6169 1
12 . 1 1 2 2 LYS HD2 H 1 1.667 0.006 . 1 . . . . . 2 . . . 6169 1
13 . 1 1 2 2 LYS HE2 H 1 2.950 0.003 . 1 . . . . . 2 . . . 6169 1
14 . 1 1 2 2 LYS HG2 H 1 1.356 0.001 . 2 . . . . . 2 . . . 6169 1
15 . 1 1 2 2 LYS HG3 H 1 1.278 0.005 . 2 . . . . . 2 . . . 6169 1
16 . 1 1 2 2 LYS H H 1 8.523 0.002 . 1 . . . . . 2 . . . 6169 1
17 . 1 1 3 3 TRP HA H 1 4.687 0.001 . 1 . . . . . 3 . . . 6169 1
18 . 1 1 3 3 TRP HB2 H 1 3.269 0.003 . 1 . . . . . 3 . . . 6169 1
19 . 1 1 3 3 TRP HB3 H 1 3.414 0.003 . 1 . . . . . 3 . . . 6169 1
20 . 1 1 3 3 TRP HD1 H 1 7.368 0.003 . 1 . . . . . 3 . . . 6169 1
21 . 1 1 3 3 TRP HE1 H 1 10.624 0.002 . 1 . . . . . 3 . . . 6169 1
22 . 1 1 3 3 TRP HE3 H 1 7.725 0.002 . 1 . . . . . 3 . . . 6169 1
23 . 1 1 3 3 TRP HH2 H 1 7.050 0.006 . 1 . . . . . 3 . . . 6169 1
24 . 1 1 3 3 TRP H H 1 7.419 0.002 . 1 . . . . . 3 . . . 6169 1
25 . 1 1 3 3 TRP HZ2 H 1 7.360 0.003 . 1 . . . . . 3 . . . 6169 1
26 . 1 1 3 3 TRP HZ3 H 1 7.108 0.003 . 1 . . . . . 3 . . . 6169 1
27 . 1 1 4 4 TRP HA H 1 4.186 0.003 . 1 . . . . . 4 . . . 6169 1
28 . 1 1 4 4 TRP HB2 H 1 2.337 0.001 . 1 . . . . . 4 . . . 6169 1
29 . 1 1 4 4 TRP HB3 H 1 3.049 0.002 . 1 . . . . . 4 . . . 6169 1
30 . 1 1 4 4 TRP HD1 H 1 7.237 0.002 . 1 . . . . . 4 . . . 6169 1
31 . 1 1 4 4 TRP HE1 H 1 10.869 0.001 . 1 . . . . . 4 . . . 6169 1
32 . 1 1 4 4 TRP HE3 H 1 7.324 0.002 . 1 . . . . . 4 . . . 6169 1
33 . 1 1 4 4 TRP HH2 H 1 7.084 0.004 . 1 . . . . . 4 . . . 6169 1
34 . 1 1 4 4 TRP H H 1 8.941 0.002 . 1 . . . . . 4 . . . 6169 1
35 . 1 1 4 4 TRP HZ2 H 1 7.436 0.003 . 1 . . . . . 4 . . . 6169 1
36 . 1 1 4 4 TRP HZ3 H 1 7.005 0.004 . 1 . . . . . 4 . . . 6169 1
37 . 1 1 5 5 LYS HA H 1 3.824 0.002 . 1 . . . . . 5 . . . 6169 1
38 . 1 1 5 5 LYS HB2 H 1 0.256 0.006 . 1 . . . . . 5 . . . 6169 1
39 . 1 1 5 5 LYS HB3 H 1 1.326 0.003 . 1 . . . . . 5 . . . 6169 1
40 . 1 1 5 5 LYS HD2 H 1 1.039 0.008 . 2 . . . . . 5 . . . 6169 1
41 . 1 1 5 5 LYS HD3 H 1 0.811 0.005 . 2 . . . . . 5 . . . 6169 1
42 . 1 1 5 5 LYS HE2 H 1 2.585 0.003 . 2 . . . . . 5 . . . 6169 1
43 . 1 1 5 5 LYS HE3 H 1 2.459 0.003 . 2 . . . . . 5 . . . 6169 1
44 . 1 1 5 5 LYS HG2 H 1 0.025 0.002 . 2 . . . . . 5 . . . 6169 1
45 . 1 1 5 5 LYS HG3 H 1 -0.227 0.003 . 2 . . . . . 5 . . . 6169 1
46 . 1 1 5 5 LYS H H 1 6.223 0.003 . 1 . . . . . 5 . . . 6169 1
47 . 1 1 6 6 PHE HA H 1 4.695 0.000 . 1 . . . . . 6 . . . 6169 1
48 . 1 1 6 6 PHE HB2 H 1 3.185 0.004 . 1 . . . . . 6 . . . 6169 1
49 . 1 1 6 6 PHE HB3 H 1 3.641 0.002 . 1 . . . . . 6 . . . 6169 1
50 . 1 1 6 6 PHE HD1 H 1 7.349 0.005 . 1 . . . . . 6 . . . 6169 1
51 . 1 1 6 6 PHE HE1 H 1 7.235 0.001 . 1 . . . . . 6 . . . 6169 1
52 . 1 1 6 6 PHE H H 1 8.315 0.002 . 1 . . . . . 6 . . . 6169 1
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