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 30999
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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' . . . 30999 1
2 '1D 1H' . . . 30999 1
3 '2D 1H-1H TOCSY' . . . 30999 1
4 '2D 1H-13C HSQC-ed' . . . 30999 1
5 '2D DQF-COSY' . . . 30999 1
6 '2D 1H-15N HSQC' . . . 30999 1
7 '2D 1H-13C HMBC' . . . 30999 1
8 '2D 1H-13C HSQC-TOCSY' . . . 30999 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 H1 H 1 8.57 0.02 . . . . . . A 1 DVA H1 . 30999 1
2 . 1 . 1 1 1 DVA N N 15 121.0 0.2 . . . . . . A 1 DVA N . 30999 1
3 . 1 . 1 1 1 DVA CA C 13 54.8 0.2 . . . . . . A 1 DVA CA . 30999 1
4 . 1 . 1 1 1 DVA CB C 13 30.3 0.2 . . . . . . A 1 DVA CB . 30999 1
5 . 1 . 1 1 1 DVA CG1 C 13 19.2 0.2 . . . . . . A 1 DVA CG1 . 30999 1
6 . 1 . 1 1 1 DVA CG2 C 13 19.1 0.2 . . . . . . A 1 DVA CG2 . 30999 1
7 . 1 . 1 1 1 DVA HA H 1 4.34 0.02 . . . . . . A 1 DVA HA . 30999 1
8 . 1 . 1 1 1 DVA HB H 1 2.00 0.02 . . . . . . A 1 DVA HB . 30999 1
9 . 1 . 1 1 1 DVA HG11 H 1 0.86 0.02 . . . . . . A 1 DVA HG11 . 30999 1
10 . 1 . 1 1 1 DVA HG21 H 1 0.89 0.02 . . . . . . A 1 DVA HG21 . 30999 1
11 . 1 . 1 2 2 MLE CA C 13 52.6 0.2 . . . . . . A 2 MLE CA . 30999 1
12 . 1 . 1 2 2 MLE CB C 13 37.7 0.2 . . . . . . A 2 MLE CB . 30999 1
13 . 1 . 1 2 2 MLE CD1 C 13 23.9 0.2 . . . . . . A 2 MLE CD1 . 30999 1
14 . 1 . 1 2 2 MLE CD2 C 13 22.5 0.2 . . . . . . A 2 MLE CD2 . 30999 1
15 . 1 . 1 2 2 MLE CG C 13 24.3 0.2 . . . . . . A 2 MLE CG . 30999 1
16 . 1 . 1 2 2 MLE CN C 13 30.9 0.2 . . . . . . A 2 MLE CN . 30999 1
17 . 1 . 1 2 2 MLE HA H 1 5.35 0.02 . . . . . . A 2 MLE HA . 30999 1
18 . 1 . 1 2 2 MLE HB2 H 1 1.52 0.02 . . . . . . A 2 MLE HB2 . 30999 1
19 . 1 . 1 2 2 MLE HD11 H 1 0.90 0.02 . . . . . . A 2 MLE HD11 . 30999 1
20 . 1 . 1 2 2 MLE HD21 H 1 0.87 0.02 . . . . . . A 2 MLE HD21 . 30999 1
21 . 1 . 1 2 2 MLE HG H 1 1.39 0.02 . . . . . . A 2 MLE HG . 30999 1
22 . 1 . 1 2 2 MLE HN1 H 1 3.01 0.02 . . . . . . A 2 MLE HN1 . 30999 1
23 . 1 . 1 3 3 DPR CA C 13 61.0 0.2 . . . . . . A 3 DPR CA . 30999 1
24 . 1 . 1 3 3 DPR CB C 13 28.4 0.2 . . . . . . A 3 DPR CB . 30999 1
25 . 1 . 1 3 3 DPR CD C 13 47.3 0.2 . . . . . . A 3 DPR CD . 30999 1
26 . 1 . 1 3 3 DPR CG C 13 25.2 0.2 . . . . . . A 3 DPR CG . 30999 1
27 . 1 . 1 3 3 DPR HA H 1 4.31 0.02 . . . . . . A 3 DPR HA . 30999 1
28 . 1 . 1 3 3 DPR HB2 H 1 2.01 0.02 . . . . . . A 3 DPR HB2 . 30999 1
29 . 1 . 1 3 3 DPR HB3 H 1 1.74 0.02 . . . . . . A 3 DPR HB3 . 30999 1
30 . 1 . 1 3 3 DPR HD2 H 1 3.48 0.02 . . . . . . A 3 DPR HD2 . 30999 1
31 . 1 . 1 3 3 DPR HD3 H 1 3.02 0.02 . . . . . . A 3 DPR HD3 . 30999 1
32 . 1 . 1 3 3 DPR HG2 H 1 1.69 0.02 . . . . . . A 3 DPR HG2 . 30999 1
33 . 1 . 1 4 4 LEU H H 1 7.04 0.02 . . . . . . A 4 LEU H . 30999 1
34 . 1 . 1 4 4 LEU HA H 1 4.54 0.02 . . . . . . A 4 LEU HA . 30999 1
35 . 1 . 1 4 4 LEU HB2 H 1 1.36 0.02 . . . . . . A 4 LEU HB2 . 30999 1
36 . 1 . 1 4 4 LEU HB3 H 1 1.36 0.02 . . . . . . A 4 LEU HB3 . 30999 1
37 . 1 . 1 4 4 LEU HG H 1 1.58 0.02 . . . . . . A 4 LEU HG . 30999 1
38 . 1 . 1 4 4 LEU HD11 H 1 0.83 0.02 . . . . . . A 4 LEU HD11 . 30999 1
39 . 1 . 1 4 4 LEU HD12 H 1 0.83 0.02 . . . . . . A 4 LEU HD12 . 30999 1
40 . 1 . 1 4 4 LEU HD13 H 1 0.83 0.02 . . . . . . A 4 LEU HD13 . 30999 1
41 . 1 . 1 4 4 LEU HD21 H 1 0.87 0.02 . . . . . . A 4 LEU HD21 . 30999 1
42 . 1 . 1 4 4 LEU HD22 H 1 0.87 0.02 . . . . . . A 4 LEU HD22 . 30999 1
43 . 1 . 1 4 4 LEU HD23 H 1 0.87 0.02 . . . . . . A 4 LEU HD23 . 30999 1
44 . 1 . 1 4 4 LEU CA C 13 50.5 0.2 . . . . . . A 4 LEU CA . 30999 1
45 . 1 . 1 4 4 LEU CB C 13 43.4 0.2 . . . . . . A 4 LEU CB . 30999 1
46 . 1 . 1 4 4 LEU CG C 13 24.3 0.2 . . . . . . A 4 LEU CG . 30999 1
47 . 1 . 1 4 4 LEU CD1 C 13 23.6 0.2 . . . . . . A 4 LEU CD1 . 30999 1
48 . 1 . 1 4 4 LEU CD2 C 13 22.5 0.2 . . . . . . A 4 LEU CD2 . 30999 1
49 . 1 . 1 4 4 LEU N N 15 113.4 0.2 . . . . . . A 4 LEU N . 30999 1
stop_
save_