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 31022
_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 '1D 1H' . . . 31022 1
2 '2D 1H-1H NOESY' . . . 31022 1
3 '1D 1H' . . . 31022 1
4 '2D 1H-1H NOESY' . . . 31022 1
5 '2D 1H-1H TOCSY' . . . 31022 1
6 '2D 1H-1H COSY' . . . 31022 1
7 '2D 1H-1H ROESY' . . . 31022 1
8 '2D 1H-15N SOFAST' . . . 31022 1
9 '1H-13C HSQC-TOCSY' . . . 31022 1
10 '2D 1H-13C HSQC' . . . 31022 1
11 '1H-13C HMBC' . . . 31022 1
stop_
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 DVA H H 1 8.76 0.02 . 1 . . . . A 1 DVA H1 . 31022 1
2 . 1 . 1 1 1 DVA C C 13 171.5 0.2 . 1 . . . . A 1 DVA C . 31022 1
3 . 1 . 1 1 1 DVA N N 15 120.7 0.2 . 1 . . . . A 1 DVA N . 31022 1
4 . 1 . 1 1 1 DVA CA C 13 54.5 0.2 . 1 . . . . A 1 DVA CA . 31022 1
5 . 1 . 1 1 1 DVA CB C 13 31.5 0.2 . 1 . . . . A 1 DVA CB . 31022 1
6 . 1 . 1 1 1 DVA CG1 C 13 18.7 0.2 . 2 . . . . A 1 DVA CG1 . 31022 1
7 . 1 . 1 1 1 DVA CG2 C 13 18.7 0.2 . 2 . . . . A 1 DVA CG2 . 31022 1
8 . 1 . 1 1 1 DVA HA H 1 4.89 0.02 . 1 . . . . A 1 DVA HA . 31022 1
9 . 1 . 1 1 1 DVA HB H 1 2.06 0.02 . 1 . . . . A 1 DVA HB . 31022 1
10 . 1 . 1 1 1 DVA HG11 H 1 0.85 0.02 . 2 . . . . A 1 DVA HG11 . 31022 1
11 . 1 . 1 1 1 DVA HG21 H 1 0.81 0.02 . 2 . . . . A 1 DVA HG21 . 31022 1
12 . 1 . 1 2 2 MLE CA C 13 52.6 0.2 . 1 . . . . A 2 MLE CA . 31022 1
13 . 1 . 1 2 2 MLE CB C 13 38.0 0.2 . 1 . . . . A 2 MLE CB . 31022 1
14 . 1 . 1 2 2 MLE CD1 C 13 22.8 0.2 . 2 . . . . A 2 MLE CD1 . 31022 1
15 . 1 . 1 2 2 MLE CD2 C 13 22.7 0.2 . 2 . . . . A 2 MLE CD2 . 31022 1
16 . 1 . 1 2 2 MLE CG C 13 24.5 0.2 . 1 . . . . A 2 MLE CG . 31022 1
17 . 1 . 1 2 2 MLE CN C 13 30.6 0.2 . 1 . . . . A 2 MLE CN . 31022 1
18 . 1 . 1 2 2 MLE HA H 1 5.29 0.02 . 1 . . . . A 2 MLE HA . 31022 1
19 . 1 . 1 2 2 MLE HB2 H 1 1.80 0.02 . 2 . . . . A 2 MLE HB2 . 31022 1
20 . 1 . 1 2 2 MLE HB3 H 1 1.25 0.02 . 2 . . . . A 2 MLE HB3 . 31022 1
21 . 1 . 1 2 2 MLE HD11 H 1 0.84 0.02 . 2 . . . . A 2 MLE HD11 . 31022 1
22 . 1 . 1 2 2 MLE HD21 H 1 0.84 0.02 . 2 . . . . A 2 MLE HD21 . 31022 1
23 . 1 . 1 2 2 MLE HG H 1 1.37 0.02 . 1 . . . . A 2 MLE HG . 31022 1
24 . 1 . 1 2 2 MLE HN1 H 1 2.94 0.02 . 1 . . . . A 2 MLE HN1 . 31022 1
25 . 1 . 1 3 3 DPR CA C 13 59.6 0.2 . 1 . . . . A 3 DPR CA . 31022 1
26 . 1 . 1 3 3 DPR CB C 13 33.2 0.2 . 1 . . . . A 3 DPR CB . 31022 1
27 . 1 . 1 3 3 DPR CD C 13 48.2 0.2 . 1 . . . . A 3 DPR CD . 31022 1
28 . 1 . 1 3 3 DPR CG C 13 22.2 0.2 . 1 . . . . A 3 DPR CG . 31022 1
29 . 1 . 1 3 3 DPR HA H 1 4.20 0.02 . 1 . . . . A 3 DPR HA . 31022 1
30 . 1 . 1 3 3 DPR HB2 H 1 2.31 0.02 . 2 . . . . A 3 DPR HB2 . 31022 1
31 . 1 . 1 3 3 DPR HB3 H 1 2.03 0.02 . 2 . . . . A 3 DPR HB3 . 31022 1
32 . 1 . 1 3 3 DPR HD2 H 1 3.53 0.02 . 2 . . . . A 3 DPR HD2 . 31022 1
33 . 1 . 1 3 3 DPR HD3 H 1 3.44 0.02 . 2 . . . . A 3 DPR HD3 . 31022 1
34 . 1 . 1 3 3 DPR HG2 H 1 1.86 0.02 . 2 . . . . A 3 DPR HG2 . 31022 1
35 . 1 . 1 3 3 DPR HG3 H 1 1.64 0.02 . 2 . . . . A 3 DPR HG3 . 31022 1
36 . 1 . 1 4 4 LEU H H 1 8.33 0.02 . 1 . . . . A 4 LEU H . 31022 1
37 . 1 . 1 4 4 LEU HA H 1 4.59 0.02 . 1 . . . . A 4 LEU HA . 31022 1
38 . 1 . 1 4 4 LEU HB2 H 1 1.84 0.02 . 2 . . . . A 4 LEU HB2 . 31022 1
39 . 1 . 1 4 4 LEU HB3 H 1 1.48 0.02 . 2 . . . . A 4 LEU HB3 . 31022 1
40 . 1 . 1 4 4 LEU HG H 1 1.46 0.02 . 1 . . . . A 4 LEU HG . 31022 1
41 . 1 . 1 4 4 LEU HD11 H 1 0.92 0.02 . 2 . . . . A 4 LEU HD11 . 31022 1
42 . 1 . 1 4 4 LEU HD12 H 1 0.92 0.02 . 2 . . . . A 4 LEU HD12 . 31022 1
43 . 1 . 1 4 4 LEU HD13 H 1 0.92 0.02 . 2 . . . . A 4 LEU HD13 . 31022 1
44 . 1 . 1 4 4 LEU HD21 H 1 0.87 0.02 . 2 . . . . A 4 LEU HD21 . 31022 1
45 . 1 . 1 4 4 LEU HD22 H 1 0.87 0.02 . 2 . . . . A 4 LEU HD22 . 31022 1
46 . 1 . 1 4 4 LEU HD23 H 1 0.87 0.02 . 2 . . . . A 4 LEU HD23 . 31022 1
47 . 1 . 1 4 4 LEU CA C 13 51.1 0.2 . 1 . . . . A 4 LEU CA . 31022 1
48 . 1 . 1 4 4 LEU CB C 13 41.6 0.2 . 1 . . . . A 4 LEU CB . 31022 1
49 . 1 . 1 4 4 LEU CG C 13 24.0 0.2 . 1 . . . . A 4 LEU CG . 31022 1
50 . 1 . 1 4 4 LEU CD1 C 13 23.6 0.2 . 2 . . . . A 4 LEU CD1 . 31022 1
51 . 1 . 1 4 4 LEU CD2 C 13 20.7 0.2 . 2 . . . . A 4 LEU CD2 . 31022 1
52 . 1 . 1 4 4 LEU N N 15 116.2 0.2 . 1 . . . . A 4 LEU N . 31022 1
stop_
save_