Content for NMR-STAR saveframe, "AIP-III_L7A_assignments"
save_AIP-III_L7A_assignments
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode AIP-III_L7A_assignments
_Assigned_chem_shift_list.Entry_ID 21040
_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 21040 1
2 '2D 1H-1H COSY' 1 $sample_1 isotropic 21040 1
3 '2D 1H-1H ROESY' 1 $sample_1 isotropic 21040 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 3.739 0.003 . 1 . . . . 1 I HA . 21040 1
2 . 1 1 1 1 ILE HB H 1 1.844 0.006 . 1 . . . . 1 I HB . 21040 1
3 . 1 1 1 1 ILE HD11 H 1 0.831 0.006 . 4 . . . . 1 I HD1# . 21040 1
4 . 1 1 1 1 ILE HD12 H 1 0.831 0.006 . 4 . . . . 1 I HD1# . 21040 1
5 . 1 1 1 1 ILE HD13 H 1 0.831 0.006 . 4 . . . . 1 I HD1# . 21040 1
6 . 1 1 1 1 ILE HG12 H 1 1.386 0.005 . 1 . . . . 1 I HG11 . 21040 1
7 . 1 1 1 1 ILE HG13 H 1 1.114 0.006 . 1 . . . . 1 I HG12 . 21040 1
8 . 1 1 1 1 ILE HG21 H 1 0.884 0.003 . 4 . . . . 1 I HG2# . 21040 1
9 . 1 1 1 1 ILE HG22 H 1 0.884 0.003 . 4 . . . . 1 I HG2# . 21040 1
10 . 1 1 1 1 ILE HG23 H 1 0.884 0.003 . 4 . . . . 1 I HG2# . 21040 1
11 . 1 1 2 2 ASN H H 1 8.487 0.003 . 1 . . . . 2 N HN . 21040 1
12 . 1 1 2 2 ASN HA H 1 4.609 0.004 . 1 . . . . 2 N HA . 21040 1
13 . 1 1 2 2 ASN HB2 H 1 2.665 0.006 . 1 . . . . 2 N HB1 . 21040 1
14 . 1 1 2 2 ASN HB3 H 1 2.575 0.004 . 1 . . . . 2 N HB2 . 21040 1
15 . 1 1 2 2 ASN HD21 H 1 7.369 0.004 . 1 . . . . 2 N HD21 . 21040 1
16 . 1 1 2 2 ASN HD22 H 1 6.692 0.007 . 1 . . . . 2 N HD22 . 21040 1
17 . 1 1 3 3 CYS H H 1 8.168 0.004 . 1 . . . . 3 C HN . 21040 1
18 . 1 1 3 3 CYS HA H 1 4.387 0.006 . 1 . . . . 3 C HA . 21040 1
19 . 1 1 3 3 CYS HB2 H 1 3.204 0.003 . 1 . . . . 3 C HB1 . 21040 1
20 . 1 1 3 3 CYS HB3 H 1 2.773 0.003 . 1 . . . . 3 C HB2 . 21040 1
21 . 1 1 4 4 ASP H H 1 8.277 0.004 . 1 . . . . 4 D HN . 21040 1
22 . 1 1 4 4 ASP HA H 1 4.496 0.003 . 1 . . . . 4 D HA . 21040 1
23 . 1 1 4 4 ASP HB2 H 1 2.564 0.009 . 1 . . . . 4 D HB1 . 21040 1
24 . 1 1 4 4 ASP HB3 H 1 2.509 0.009 . 1 . . . . 4 D HB2 . 21040 1
25 . 1 1 5 5 PHE H H 1 8.259 0.004 . 1 . . . . 5 F HN . 21040 1
26 . 1 1 5 5 PHE HA H 1 4.277 0.002 . 1 . . . . 5 F HA . 21040 1
27 . 1 1 5 5 PHE HB2 H 1 3.121 0.005 . 2 . . . . 5 F HB# . 21040 1
28 . 1 1 5 5 PHE HB3 H 1 3.121 0.005 . 2 . . . . 5 F HB# . 21040 1
29 . 1 1 5 5 PHE HD1 H 1 7.169 0.004 . 3 . . . . 5 F HD# . 21040 1
30 . 1 1 5 5 PHE HD2 H 1 7.169 0.004 . 3 . . . . 5 F HD# . 21040 1
31 . 1 1 5 5 PHE HE1 H 1 7.283 0.003 . 3 . . . . 5 F HE# . 21040 1
32 . 1 1 5 5 PHE HE2 H 1 7.283 0.003 . 3 . . . . 5 F HE# . 21040 1
33 . 1 1 6 6 LEU H H 1 7.863 0.004 . 1 . . . . 6 L HN . 21040 1
34 . 1 1 6 6 LEU HA H 1 4.181 0.003 . 1 . . . . 6 L HA . 21040 1
35 . 1 1 6 6 LEU HB2 H 1 1.645 0.006 . 1 . . . . 6 L HB1 . 21040 1
36 . 1 1 6 6 LEU HB3 H 1 1.501 0.004 . 1 . . . . 6 L HB2 . 21040 1
37 . 1 1 6 6 LEU HD11 H 1 0.763 0.004 . 2 . . . . 6 L HD1# . 21040 1
38 . 1 1 6 6 LEU HD12 H 1 0.763 0.004 . 2 . . . . 6 L HD1# . 21040 1
39 . 1 1 6 6 LEU HD13 H 1 0.763 0.004 . 2 . . . . 6 L HD1# . 21040 1
40 . 1 1 6 6 LEU HD21 H 1 0.685 0.003 . 2 . . . . 6 L HD2# . 21040 1
41 . 1 1 6 6 LEU HD22 H 1 0.685 0.003 . 2 . . . . 6 L HD2# . 21040 1
42 . 1 1 6 6 LEU HD23 H 1 0.685 0.003 . 2 . . . . 6 L HD2# . 21040 1
43 . 1 1 6 6 LEU HG H 1 1.174 0.004 . 1 . . . . 6 L HG . 21040 1
44 . 1 1 7 7 ALA H H 1 8.194 0.004 . 1 . . . . 7 A HN . 21040 1
45 . 1 1 7 7 ALA HA H 1 4.512 0.001 . 1 . . . . 7 A HA . 21040 1
46 . 1 1 7 7 ALA HB1 H 1 1.344 0.003 . 1 . . . . 7 A HB# . 21040 1
47 . 1 1 7 7 ALA HB2 H 1 1.344 0.003 . 1 . . . . 7 A HB# . 21040 1
48 . 1 1 7 7 ALA HB3 H 1 1.344 0.003 . 1 . . . . 7 A HB# . 21040 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 21040 1
1 4 21040 1
1 5 21040 1
1 8 21040 1
1 9 21040 1
1 10 21040 1
stop_
save_