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 6511
_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 . 6511 1
2 '2D TOCSY' 1 $sample_1 . 6511 1
3 DQF-COSY 1 $sample_1 . 6511 1
4 '2D ROESY' 1 $sample_1 . 6511 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 ALA HA H 1 4.10 0.01 . 1 . . . . . . . . . 6511 1
2 . 1 1 1 1 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . . 6511 1
3 . 1 1 1 1 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . . 6511 1
4 . 1 1 1 1 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . . 6511 1
5 . 1 1 2 2 CYS H H 1 8.76 0.01 . 1 . . . . . . . . . 6511 1
6 . 1 1 2 2 CYS HA H 1 4.68 0.01 . 1 . . . . . . . . . 6511 1
7 . 1 1 2 2 CYS HB2 H 1 2.95 0.01 . 1 . . . . . . . . . 6511 1
8 . 1 1 2 2 CYS HB3 H 1 3.12 0.01 . 1 . . . . . . . . . 6511 1
9 . 1 1 3 3 LEU H H 1 8.65 0.01 . 1 . . . . . . . . . 6511 1
10 . 1 1 3 3 LEU HA H 1 4.52 0.01 . 1 . . . . . . . . . 6511 1
11 . 1 1 3 3 LEU HB2 H 1 1.23 0.01 . 1 . . . . . . . . . 6511 1
12 . 1 1 3 3 LEU HB3 H 1 0.72 0.01 . 1 . . . . . . . . . 6511 1
13 . 1 1 3 3 LEU HG H 1 1.56 0.01 . 1 . . . . . . . . . 6511 1
14 . 1 1 3 3 LEU HD11 H 1 0.85 0.01 . 2 . . . . . . . . . 6511 1
15 . 1 1 3 3 LEU HD12 H 1 0.85 0.01 . 2 . . . . . . . . . 6511 1
16 . 1 1 3 3 LEU HD13 H 1 0.85 0.01 . 2 . . . . . . . . . 6511 1
17 . 1 1 3 3 LEU HD21 H 1 0.92 0.01 . 2 . . . . . . . . . 6511 1
18 . 1 1 3 3 LEU HD22 H 1 0.92 0.01 . 2 . . . . . . . . . 6511 1
19 . 1 1 3 3 LEU HD23 H 1 0.92 0.01 . 2 . . . . . . . . . 6511 1
20 . 1 1 4 4 PRO HA H 1 4.24 0.01 . 1 . . . . . . . . . 6511 1
21 . 1 1 4 4 PRO HB2 H 1 1.80 0.01 . 2 . . . . . . . . . 6511 1
22 . 1 1 4 4 PRO HB3 H 1 2.20 0.01 . 2 . . . . . . . . . 6511 1
23 . 1 1 4 4 PRO HG2 H 1 1.95 0.01 . 1 . . . . . . . . . 6511 1
24 . 1 1 4 4 PRO HG3 H 1 2.00 0.01 . 1 . . . . . . . . . 6511 1
25 . 1 1 4 4 PRO HD2 H 1 3.21 0.01 . 2 . . . . . . . . . 6511 1
26 . 1 1 4 4 PRO HD3 H 1 3.69 0.01 . 2 . . . . . . . . . 6511 1
27 . 1 1 5 5 TRP H H 1 7.04 0.01 . 1 . . . . . . . . . 6511 1
28 . 1 1 5 5 TRP HA H 1 4.74 0.01 . 1 . . . . . . . . . 6511 1
29 . 1 1 5 5 TRP HB2 H 1 3.33 0.01 . 2 . . . . . . . . . 6511 1
30 . 1 1 5 5 TRP HB3 H 1 3.49 0.01 . 2 . . . . . . . . . 6511 1
31 . 1 1 5 5 TRP HD1 H 1 7.22 0.01 . 1 . . . . . . . . . 6511 1
32 . 1 1 5 5 TRP HE1 H 1 10.31 0.01 . 1 . . . . . . . . . 6511 1
33 . 1 1 5 5 TRP HE3 H 1 7.67 0.01 . 1 . . . . . . . . . 6511 1
34 . 1 1 5 5 TRP HZ2 H 1 7.55 0.01 . 1 . . . . . . . . . 6511 1
35 . 1 1 5 5 TRP HZ3 H 1 7.23 0.01 . 1 . . . . . . . . . 6511 1
36 . 1 1 5 5 TRP HH2 H 1 7.30 0.01 . 1 . . . . . . . . . 6511 1
37 . 1 1 6 6 SER H H 1 7.62 0.01 . 1 . . . . . . . . . 6511 1
38 . 1 1 6 6 SER HA H 1 4.42 0.01 . 1 . . . . . . . . . 6511 1
39 . 1 1 6 6 SER HB2 H 1 3.77 0.01 . 1 . . . . . . . . . 6511 1
40 . 1 1 6 6 SER HB3 H 1 3.77 0.01 . 1 . . . . . . . . . 6511 1
41 . 1 1 7 7 ASP H H 1 8.48 0.01 . 1 . . . . . . . . . 6511 1
42 . 1 1 7 7 ASP HA H 1 4.77 0.01 . 1 . . . . . . . . . 6511 1
43 . 1 1 7 7 ASP HB2 H 1 2.74 0.01 . 2 . . . . . . . . . 6511 1
44 . 1 1 7 7 ASP HB3 H 1 2.81 0.01 . 2 . . . . . . . . . 6511 1
45 . 1 1 8 8 GLY H H 1 7.92 0.01 . 1 . . . . . . . . . 6511 1
46 . 1 1 8 8 GLY HA2 H 1 4.05 0.01 . 2 . . . . . . . . . 6511 1
47 . 1 1 8 8 GLY HA3 H 1 4.12 0.01 . 2 . . . . . . . . . 6511 1
48 . 1 1 9 9 PRO HA H 1 4.43 0.01 . 1 . . . . . . . . . 6511 1
49 . 1 1 9 9 PRO HB2 H 1 2.25 0.01 . 2 . . . . . . . . . 6511 1
50 . 1 1 9 9 PRO HB3 H 1 1.93 0.01 . 2 . . . . . . . . . 6511 1
51 . 1 1 9 9 PRO HG2 H 1 2.01 0.01 . 1 . . . . . . . . . 6511 1
52 . 1 1 9 9 PRO HG3 H 1 2.01 0.01 . 1 . . . . . . . . . 6511 1
53 . 1 1 9 9 PRO HD2 H 1 3.60 0.01 . 1 . . . . . . . . . 6511 1
54 . 1 1 9 9 PRO HD3 H 1 3.60 0.01 . 1 . . . . . . . . . 6511 1
55 . 1 1 10 10 CYS H H 1 8.16 0.01 . 1 . . . . . . . . . 6511 1
56 . 1 1 10 10 CYS HA H 1 4.44 0.01 . 1 . . . . . . . . . 6511 1
57 . 1 1 10 10 CYS HB2 H 1 3.06 0.01 . 1 . . . . . . . . . 6511 1
58 . 1 1 10 10 CYS HB3 H 1 3.19 0.01 . 1 . . . . . . . . . 6511 1
stop_
save_