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 31002
_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' . . . 31002 1
2 '2D 1H-15N SOFAST' . . . 31002 1
3 '2D 1H-13C HSQC-ed' . . . 31002 1
4 '2D 1H-13C HMBC' . . . 31002 1
5 '2D 1H-1H NOESY' . . . 31002 1
6 '2D 1H-1H COSY' . . . 31002 1
7 '2D 1H-1H ROESY' . . . 31002 1
8 '2D 1H-1H TOCSY' . . . 31002 1
9 '2D 1H-13C HSQC-TOCSY' . . . 31002 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 DAL H1 H 1 7.80 0.02 . . . . . . A 1 DAL H1 . 31002 1
2 . 1 . 1 1 1 DAL C C 13 171.3 0.2 . . . . . . A 1 DAL C . 31002 1
3 . 1 . 1 1 1 DAL N N 15 118.1 0.2 . . . . . . A 1 DAL N . 31002 1
4 . 1 . 1 1 1 DAL CA C 13 45.9 0.2 . . . . . . A 1 DAL CA . 31002 1
5 . 1 . 1 1 1 DAL CB C 13 17.4 0.2 . . . . . . A 1 DAL CB . 31002 1
6 . 1 . 1 1 1 DAL HA H 1 5.01 0.02 . . . . . . A 1 DAL HA . 31002 1
7 . 1 . 1 1 1 DAL HB1 H 1 1.27 0.02 . . . . . . A 1 DAL HB1 . 31002 1
8 . 1 . 1 2 2 DPR C C 13 173.4 0.2 . . . . . . A 2 DPR C . 31002 1
9 . 1 . 1 2 2 DPR CA C 13 55.8 0.2 . . . . . . A 2 DPR CA . 31002 1
10 . 1 . 1 2 2 DPR CB C 13 29.8 0.2 . . . . . . A 2 DPR CB . 31002 1
11 . 1 . 1 2 2 DPR CD C 13 47.9 0.2 . . . . . . A 2 DPR CD . 31002 1
12 . 1 . 1 2 2 DPR CG C 13 25.3 0.2 . . . . . . A 2 DPR CG . 31002 1
13 . 1 . 1 2 2 DPR HA H 1 4.60 0.02 . . . . . . A 2 DPR HA . 31002 1
14 . 1 . 1 2 2 DPR HB2 H 1 2.08 0.02 . . . . . . A 2 DPR HB2 . 31002 1
15 . 1 . 1 2 2 DPR HB3 H 1 2.01 0.02 . . . . . . A 2 DPR HB3 . 31002 1
16 . 1 . 1 2 2 DPR HD2 H 1 3.77 0.02 . . . . . . A 2 DPR HD2 . 31002 1
17 . 1 . 1 2 2 DPR HD3 H 1 3.63 0.02 . . . . . . A 2 DPR HD3 . 31002 1
18 . 1 . 1 2 2 DPR HG2 H 1 2.36 0.02 . . . . . . A 2 DPR HG2 . 31002 1
19 . 1 . 1 2 2 DPR HG3 H 1 1.92 0.02 . . . . . . A 2 DPR HG3 . 31002 1
20 . 1 . 1 3 3 MLU C C 13 169.8 0.2 . . . . . . A 3 MLU C . 31002 1
21 . 1 . 1 3 3 MLU CA C 13 59.7 0.2 . . . . . . A 3 MLU CA . 31002 1
22 . 1 . 1 3 3 MLU CB C 13 36.9 0.2 . . . . . . A 3 MLU CB . 31002 1
23 . 1 . 1 3 3 MLU CD1 C 13 23.4 0.2 . . . . . . A 3 MLU CD1 . 31002 1
24 . 1 . 1 3 3 MLU CD2 C 13 21.7 0.2 . . . . . . A 3 MLU CD2 . 31002 1
25 . 1 . 1 3 3 MLU CG C 13 24.4 0.2 . . . . . . A 3 MLU CG . 31002 1
26 . 1 . 1 3 3 MLU CN C 13 30.0 0.2 . . . . . . A 3 MLU CN . 31002 1
27 . 1 . 1 3 3 MLU HA H 1 4.54 0.02 . . . . . . A 3 MLU HA . 31002 1
28 . 1 . 1 3 3 MLU HB2 H 1 2.04 0.02 . . . . . . A 3 MLU HB2 . 31002 1
29 . 1 . 1 3 3 MLU HB3 H 1 1.69 0.02 . . . . . . A 3 MLU HB3 . 31002 1
30 . 1 . 1 3 3 MLU HCN1 H 1 2.82 0.02 . . . . . . A 3 MLU HCN1 . 31002 1
31 . 1 . 1 3 3 MLU HD11 H 1 0.98 0.02 . . . . . . A 3 MLU HD11 . 31002 1
32 . 1 . 1 3 3 MLU HD21 H 1 0.93 0.02 . . . . . . A 3 MLU HD21 . 31002 1
33 . 1 . 1 3 3 MLU HG H 1 1.45 0.02 . . . . . . A 3 MLU HG . 31002 1
34 . 1 . 1 4 4 DVA H H 1 7.48 0.02 . . . . . . A 4 DVA H . 31002 1
35 . 1 . 1 4 4 DVA C C 13 171.2 0.2 . . . . . . A 4 DVA C . 31002 1
36 . 1 . 1 4 4 DVA N N 15 113.3 0.2 . . . . . . A 4 DVA N . 31002 1
37 . 1 . 1 4 4 DVA CA C 13 60.3 0.2 . . . . . . A 4 DVA CA . 31002 1
38 . 1 . 1 4 4 DVA CB C 13 30.8 0.2 . . . . . . A 4 DVA CB . 31002 1
39 . 1 . 1 4 4 DVA CG1 C 13 18.1 0.2 . . . . . . A 4 DVA CG1 . 31002 1
40 . 1 . 1 4 4 DVA CG2 C 13 19.5 0.2 . . . . . . A 4 DVA CG2 . 31002 1
41 . 1 . 1 4 4 DVA HA H 1 4.39 0.02 . . . . . . A 4 DVA HA . 31002 1
42 . 1 . 1 4 4 DVA HB H 1 2.14 0.02 . . . . . . A 4 DVA HB . 31002 1
43 . 1 . 1 4 4 DVA HG11 H 1 0.93 0.02 . . . . . . A 4 DVA HG11 . 31002 1
44 . 1 . 1 4 4 DVA HG21 H 1 0.97 0.02 . . . . . . A 4 DVA HG21 . 31002 1
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