Content for NMR-STAR saveframe, "AIP-III_DF5_assignments"
save_AIP-III_DF5_assignments
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode AIP-III_DF5_assignments
_Assigned_chem_shift_list.Entry_ID 21037
_Assigned_chem_shift_list.ID 1
_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 $chemical_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 TOCSY' 1 $sample_1 isotropic 21037 1
2 '2D 1H-1H COSY' 1 $sample_1 isotropic 21037 1
3 '2D 1H-1H ROESY' 1 $sample_1 isotropic 21037 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.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 ILE HA H 1 3.757 0.003 . 1 . . . . 1 I HA . 21037 1
2 . 1 1 1 1 ILE HB H 1 1.858 0.004 . 1 . . . . 1 I HB . 21037 1
3 . 1 1 1 1 ILE HD11 H 1 0.837 0.007 . 4 . . . . 1 I HD1# . 21037 1
4 . 1 1 1 1 ILE HD12 H 1 0.837 0.007 . 4 . . . . 1 I HD1# . 21037 1
5 . 1 1 1 1 ILE HD13 H 1 0.837 0.007 . 4 . . . . 1 I HD1# . 21037 1
6 . 1 1 1 1 ILE HG12 H 1 1.407 0.012 . 1 . . . . 1 I HG11 . 21037 1
7 . 1 1 1 1 ILE HG13 H 1 1.107 0.016 . 1 . . . . 1 I HG12 . 21037 1
8 . 1 1 1 1 ILE HG21 H 1 0.892 0.004 . 4 . . . . 1 I HG2# . 21037 1
9 . 1 1 1 1 ILE HG22 H 1 0.892 0.004 . 4 . . . . 1 I HG2# . 21037 1
10 . 1 1 1 1 ILE HG23 H 1 0.892 0.004 . 4 . . . . 1 I HG2# . 21037 1
11 . 1 1 2 2 ASN H H 1 8.508 0.003 . 1 . . . . 2 N HN . 21037 1
12 . 1 1 2 2 ASN HA H 1 4.636 0.001 . 1 . . . . 2 N HA . 21037 1
13 . 1 1 2 2 ASN HB2 H 1 2.684 0.006 . 1 . . . . 2 N HB1 . 21037 1
14 . 1 1 2 2 ASN HB3 H 1 2.593 0.004 . 1 . . . . 2 N HB2 . 21037 1
15 . 1 1 3 3 CYS H H 1 8.172 0.003 . 1 . . . . 3 C HN . 21037 1
16 . 1 1 3 3 CYS HA H 1 4.341 0.005 . 1 . . . . 3 C HA . 21037 1
17 . 1 1 3 3 CYS HB2 H 1 3.195 0.003 . 1 . . . . 3 C HB1 . 21037 1
18 . 1 1 3 3 CYS HB3 H 1 2.709 0.004 . 1 . . . . 3 C HB2 . 21037 1
19 . 1 1 4 4 ASP H H 1 8.289 0.003 . 1 . . . . 4 D HN . 21037 1
20 . 1 1 4 4 ASP HA H 1 4.767 0.001 . 1 . . . . 4 D HA . 21037 1
21 . 1 1 4 4 ASP HB2 H 1 2.776 0.007 . 1 . . . . 4 D HB1 . 21037 1
22 . 1 1 4 4 ASP HB3 H 1 2.612 0.003 . 1 . . . . 4 D HB2 . 21037 1
23 . 1 1 5 5 DPN H H 1 8.558 0.002 . 1 . . . . 5 F HN . 21037 1
24 . 1 1 5 5 DPN HA H 1 4.357 0.005 . 1 . . . . 5 F HA . 21037 1
25 . 1 1 5 5 DPN HB2 H 1 3.033 0.004 . 1 . . . . 5 F HB1 . 21037 1
26 . 1 1 5 5 DPN HB3 H 1 2.878 0.002 . 1 . . . . 5 F HB2 . 21037 1
27 . 1 1 5 5 DPN HD1 H 1 7.163 0.003 . 3 . . . . 5 F HD# . 21037 1
28 . 1 1 5 5 DPN HD2 H 1 7.163 0.003 . 3 . . . . 5 F HD# . 21037 1
29 . 1 1 5 5 DPN HE1 H 1 7.271 0.004 . 3 . . . . 5 F HE# . 21037 1
30 . 1 1 5 5 DPN HE2 H 1 7.271 0.004 . 3 . . . . 5 F HE# . 21037 1
31 . 1 1 5 5 DPN HZ H 1 7.228 0.000 . 1 . . . . 5 F HZ . 21037 1
32 . 1 1 6 6 LEU H H 1 7.797 0.001 . 1 . . . . 6 L HN . 21037 1
33 . 1 1 6 6 LEU HA H 1 4.493 0.000 . 1 . . . . 6 L HA . 21037 1
34 . 1 1 6 6 LEU HB2 H 1 1.651 0.013 . 2 . . . . 6 L HB# . 21037 1
35 . 1 1 6 6 LEU HB3 H 1 1.651 0.013 . 2 . . . . 6 L HB# . 21037 1
36 . 1 1 6 6 LEU HD11 H 1 0.828 0.003 . 2 . . . . 6 L HD1# . 21037 1
37 . 1 1 6 6 LEU HD12 H 1 0.828 0.003 . 2 . . . . 6 L HD1# . 21037 1
38 . 1 1 6 6 LEU HD13 H 1 0.828 0.003 . 2 . . . . 6 L HD1# . 21037 1
39 . 1 1 6 6 LEU HD21 H 1 0.707 0.003 . 2 . . . . 6 L HD2# . 21037 1
40 . 1 1 6 6 LEU HD22 H 1 0.707 0.003 . 2 . . . . 6 L HD2# . 21037 1
41 . 1 1 6 6 LEU HD23 H 1 0.707 0.003 . 2 . . . . 6 L HD2# . 21037 1
42 . 1 1 6 6 LEU HG H 1 1.456 0.005 . 1 . . . . 6 L HG . 21037 1
43 . 1 1 7 7 LEU H H 1 8.081 0.003 . 1 . . . . 7 L HN . 21037 1
44 . 1 1 7 7 LEU HA H 1 3.928 0.003 . 1 . . . . 7 L HA . 21037 1
45 . 1 1 7 7 LEU HB2 H 1 1.256 0.010 . 2 . . . . 7 L HB# . 21037 1
46 . 1 1 7 7 LEU HB3 H 1 1.256 0.010 . 2 . . . . 7 L HB# . 21037 1
47 . 1 1 7 7 LEU HD11 H 1 0.613 0.004 . 2 . . . . 7 L HD1# . 21037 1
48 . 1 1 7 7 LEU HD12 H 1 0.613 0.004 . 2 . . . . 7 L HD1# . 21037 1
49 . 1 1 7 7 LEU HD13 H 1 0.613 0.004 . 2 . . . . 7 L HD1# . 21037 1
50 . 1 1 7 7 LEU HD21 H 1 0.497 0.002 . 2 . . . . 7 L HD2# . 21037 1
51 . 1 1 7 7 LEU HD22 H 1 0.497 0.002 . 2 . . . . 7 L HD2# . 21037 1
52 . 1 1 7 7 LEU HD23 H 1 0.497 0.002 . 2 . . . . 7 L HD2# . 21037 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 3 21037 1
1 4 21037 1
1 5 21037 1
1 8 21037 1
1 9 21037 1
1 10 21037 1
stop_
save_