Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 36700
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_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 1H-1H NOESY' 1 $sample_1 isotropic 36700 1
2 '2D 1H-1H COSY' 1 $sample_1 isotropic 36700 1
3 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36700 1
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loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 G H1 H 1 12.47 0.01 . 1 . . . . A 1 G H1 . 36700 1
2 . 1 . 1 1 1 G H1' H 1 5.83 0.01 . 1 . . . . A 1 G H1' . 36700 1
3 . 1 . 1 1 1 G H8 H 1 8.06 0.01 . 1 . . . . A 1 G H8 . 36700 1
4 . 1 . 1 2 2 C H1' H 1 5.42 0.01 . 1 . . . . A 2 C H1' . 36700 1
5 . 1 . 1 2 2 C H5 H 1 5.12 0.01 . 1 . . . . A 2 C H5 . 36700 1
6 . 1 . 1 2 2 C H6 H 1 7.64 0.01 . 1 . . . . A 2 C H6 . 36700 1
7 . 1 . 1 2 2 C H41 H 1 8.36 0.01 . 1 . . . . A 2 C H41 . 36700 1
8 . 1 . 1 2 2 C H42 H 1 6.73 0.01 . 1 . . . . A 2 C H42 . 36700 1
9 . 1 . 1 3 3 A H1' H 1 6.04 0.01 . 1 . . . . A 3 A H1' . 36700 1
10 . 1 . 1 3 3 A H2 H 1 7.86 0.01 . 1 . . . . A 3 A H2 . 36700 1
11 . 1 . 1 3 3 A H8 H 1 8.15 0.01 . 1 . . . . A 3 A H8 . 36700 1
12 . 1 . 1 4 4 G H1 H 1 12.46 0.01 . 1 . . . . A 4 G H1 . 36700 1
13 . 1 . 1 4 4 G H1' H 1 5.54 0.01 . 1 . . . . A 4 G H1' . 36700 1
14 . 1 . 1 4 4 G H8 H 1 7.09 0.01 . 1 . . . . A 4 G H8 . 36700 1
15 . 1 . 1 5 5 C H1' H 1 5.35 0.01 . 1 . . . . A 5 C H1' . 36700 1
16 . 1 . 1 5 5 C H5 H 1 5.01 0.01 . 1 . . . . A 5 C H5 . 36700 1
17 . 1 . 1 5 5 C H6 H 1 7.52 0.01 . 1 . . . . A 5 C H6 . 36700 1
18 . 1 . 1 5 5 C H41 H 1 8.20 0.01 . 1 . . . . A 5 C H41 . 36700 1
19 . 1 . 1 5 5 C H42 H 1 6.77 0.01 . 1 . . . . A 5 C H42 . 36700 1
20 . 1 . 1 6 6 A H1' H 1 6.02 0.01 . 1 . . . . A 6 A H1' . 36700 1
21 . 1 . 1 6 6 A H2 H 1 7.78 0.01 . 1 . . . . A 6 A H2 . 36700 1
22 . 1 . 1 6 6 A H8 H 1 8.10 0.01 . 1 . . . . A 6 A H8 . 36700 1
23 . 1 . 1 7 7 G H1 H 1 12.42 0.01 . 1 . . . . A 7 G H1 . 36700 1
24 . 1 . 1 7 7 G H1' H 1 5.56 0.01 . 1 . . . . A 7 G H1' . 36700 1
25 . 1 . 1 7 7 G H8 H 1 7.08 0.01 . 1 . . . . A 7 G H8 . 36700 1
26 . 1 . 1 8 8 C H1' H 1 5.35 0.01 . 1 . . . . A 8 C H1' . 36700 1
27 . 1 . 1 8 8 C H5 H 1 5.01 0.01 . 1 . . . . A 8 C H5 . 36700 1
28 . 1 . 1 8 8 C H6 H 1 7.54 0.01 . 1 . . . . A 8 C H6 . 36700 1
29 . 1 . 1 8 8 C H41 H 1 8.29 0.01 . 1 . . . . A 8 C H41 . 36700 1
30 . 1 . 1 8 8 C H42 H 1 6.76 0.01 . 1 . . . . A 8 C H42 . 36700 1
31 . 1 . 1 9 9 A H1' H 1 6.01 0.01 . 1 . . . . A 9 A H1' . 36700 1
32 . 1 . 1 9 9 A H2 H 1 7.85 0.01 . 1 . . . . A 9 A H2 . 36700 1
33 . 1 . 1 9 9 A H8 H 1 8.11 0.01 . 1 . . . . A 9 A H8 . 36700 1
34 . 1 . 1 10 10 G H1 H 1 12.39 0.01 . 1 . . . . A 10 G H1 . 36700 1
35 . 1 . 1 10 10 G H1' H 1 5.57 0.01 . 1 . . . . A 10 G H1' . 36700 1
36 . 1 . 1 10 10 G H8 H 1 7.07 0.01 . 1 . . . . A 10 G H8 . 36700 1
37 . 1 . 1 11 11 C H1' H 1 5.40 0.01 . 1 . . . . A 11 C H1' . 36700 1
38 . 1 . 1 11 11 C H5 H 1 4.98 0.01 . 1 . . . . A 11 C H5 . 36700 1
39 . 1 . 1 11 11 C H6 H 1 7.46 0.01 . 1 . . . . A 11 C H6 . 36700 1
40 . 1 . 1 11 11 C H41 H 1 7.93 0.01 . 1 . . . . A 11 C H41 . 36700 1
41 . 1 . 1 11 11 C H42 H 1 6.67 0.01 . 1 . . . . A 11 C H42 . 36700 1
42 . 1 . 1 12 12 A H1' H 1 5.82 0.01 . 1 . . . . A 12 A H1' . 36700 1
43 . 1 . 1 12 12 A H2 H 1 7.01 0.01 . 1 . . . . A 12 A H2 . 36700 1
44 . 1 . 1 12 12 A H8 H 1 7.76 0.01 . 1 . . . . A 12 A H8 . 36700 1
45 . 1 . 1 13 13 G H1' H 1 5.24 0.01 . 1 . . . . A 13 G H1' . 36700 1
46 . 1 . 1 13 13 G H8 H 1 7.33 0.01 . 1 . . . . A 13 G H8 . 36700 1
47 . 1 . 1 14 14 C H1' H 1 5.72 0.01 . 1 . . . . A 14 C H1' . 36700 1
48 . 1 . 1 14 14 C H5 H 1 5.51 0.01 . 1 . . . . A 14 C H5 . 36700 1
49 . 1 . 1 14 14 C H6 H 1 7.61 0.01 . 1 . . . . A 14 C H6 . 36700 1
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