Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 21062
_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 .
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_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 DQF-COSY' 1 $sample_1 isotropic 21062 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 21062 1
3 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21062 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $CARA . . 21062 1
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_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 2 2 THR H H 1 8.287 0.004 . 1 . . . . 2 THR HN . 21062 1
2 . 1 1 2 2 THR HA H 1 4.270 0.077 . 1 . . . . 2 THR HA . 21062 1
3 . 1 1 2 2 THR HB H 1 4.082 0.004 . 1 . . . . 2 THR HB . 21062 1
4 . 1 1 2 2 THR HG21 H 1 1.115 0.009 . 1 . . . . 2 THR QG2 . 21062 1
5 . 1 1 2 2 THR HG22 H 1 1.115 0.009 . 1 . . . . 2 THR QG2 . 21062 1
6 . 1 1 2 2 THR HG23 H 1 1.115 0.009 . 1 . . . . 2 THR QG2 . 21062 1
7 . 1 1 3 3 ILE H H 1 8.229 0.002 . 1 . . . . 3 ILE HN . 21062 1
8 . 1 1 3 3 ILE HA H 1 4.084 0.003 . 1 . . . . 3 ILE HA . 21062 1
9 . 1 1 3 3 ILE HB H 1 1.768 0.003 . 1 . . . . 3 ILE HB . 21062 1
10 . 1 1 3 3 ILE HD11 H 1 0.788 0.008 . 1 . . . . 3 ILE QD1 . 21062 1
11 . 1 1 3 3 ILE HD12 H 1 0.788 0.008 . 1 . . . . 3 ILE QD1 . 21062 1
12 . 1 1 3 3 ILE HD13 H 1 0.788 0.008 . 1 . . . . 3 ILE QD1 . 21062 1
13 . 1 1 3 3 ILE HG12 H 1 1.103 0.006 . 2 . . . . 3 ILE QG1 . 21062 1
14 . 1 1 3 3 ILE HG13 H 1 1.103 0.006 . 2 . . . . 3 ILE QG1 . 21062 1
15 . 1 1 3 3 ILE HG21 H 1 1.386 0.003 . 1 . . . . 3 ILE QG2 . 21062 1
16 . 1 1 3 3 ILE HG22 H 1 1.386 0.003 . 1 . . . . 3 ILE QG2 . 21062 1
17 . 1 1 3 3 ILE HG23 H 1 1.386 0.003 . 1 . . . . 3 ILE QG2 . 21062 1
18 . 1 1 4 4 CYS H H 1 8.500 0.002 . 1 . . . . 4 CYS HN . 21062 1
19 . 1 1 4 4 CYS HA H 1 4.711 0.003 . 1 . . . . 4 CYS HA . 21062 1
20 . 1 1 4 4 CYS HB2 H 1 2.979 0.002 . 2 . . . . 4 CYS QB . 21062 1
21 . 1 1 4 4 CYS HB3 H 1 2.979 0.002 . 2 . . . . 4 CYS QB . 21062 1
22 . 1 1 5 5 CYS H H 1 8.045 0.002 . 1 . . . . 5 CYS HN . 21062 1
23 . 1 1 5 5 CYS HA H 1 4.513 0.002 . 1 . . . . 5 CYS HA . 21062 1
24 . 1 1 5 5 CYS HB2 H 1 3.471 0.004 . 1 . . . . 5 CYS HB2 . 21062 1
25 . 1 1 5 5 CYS HB3 H 1 3.119 0.002 . 1 . . . . 5 CYS HB3 . 21062 1
26 . 1 1 6 6 GLU H H 1 8.698 0.002 . 1 . . . . 6 GLU HN . 21062 1
27 . 1 1 6 6 GLU HA H 1 4.038 0.003 . 1 . . . . 6 GLU HA . 21062 1
28 . 1 1 6 6 GLU HB2 H 1 1.920 0.004 . 2 . . . . 6 GLU QB . 21062 1
29 . 1 1 6 6 GLU HB3 H 1 1.920 0.004 . 2 . . . . 6 GLU QB . 21062 1
30 . 1 1 6 6 GLU HG2 H 1 2.204 0.002 . 1 . . . . 6 GLU QG . 21062 1
31 . 1 1 6 6 GLU HG3 H 1 2.204 0.002 . 1 . . . . 6 GLU QG . 21062 1
32 . 1 1 7 7 GLY H H 1 8.861 0.001 . 1 . . . . 7 GLY HN . 21062 1
33 . 1 1 7 7 GLY HA2 H 1 4.045 0.010 . 2 . . . . 7 GLY HA2 . 21062 1
34 . 1 1 7 7 GLY HA3 H 1 3.691 0.003 . 2 . . . . 7 GLY HA3 . 21062 1
35 . 1 1 8 8 CYS H H 1 7.843 0.001 . 1 . . . . 8 CYS HN . 21062 1
36 . 1 1 8 8 CYS HA H 1 4.317 0.005 . 1 . . . . 8 CYS HA . 21062 1
37 . 1 1 8 8 CYS HB2 H 1 3.599 0.003 . 2 . . . . 8 CYS HB2 . 21062 1
38 . 1 1 8 8 CYS HB3 H 1 3.140 0.003 . 2 . . . . 8 CYS HB3 . 21062 1
39 . 1 1 9 9 MET H H 1 8.622 0.001 . 1 . . . . 9 MET HN . 21062 1
40 . 1 1 9 9 MET HA H 1 4.434 0.004 . 1 . . . . 9 MET HA . 21062 1
41 . 1 1 9 9 MET HB2 H 1 1.880 0.002 . 2 . . . . 9 MET QB . 21062 1
42 . 1 1 9 9 MET HB3 H 1 1.880 0.002 . 2 . . . . 9 MET QB . 21062 1
43 . 1 1 9 9 MET HG2 H 1 2.420 0.003 . 2 . . . . 9 MET QG . 21062 1
44 . 1 1 9 9 MET HG3 H 1 2.420 0.003 . 2 . . . . 9 MET QG . 21062 1
45 . 1 1 10 10 CYS H H 1 8.404 0.001 . 1 . . . . 10 CYS HN . 21062 1
46 . 1 1 10 10 CYS HA H 1 4.588 0.004 . 1 . . . . 10 CYS HA . 21062 1
47 . 1 1 10 10 CYS HB2 H 1 3.266 0.002 . 2 . . . . 10 CYS HB2 . 21062 1
48 . 1 1 10 10 CYS HB3 H 1 2.773 0.002 . 2 . . . . 10 CYS HB3 . 21062 1
49 . 1 1 11 11 TYR H H 1 8.152 0.001 . 1 . . . . 11 TYR HN . 21062 1
50 . 1 1 11 11 TYR HA H 1 4.485 0.003 . 1 . . . . 11 TYR HA . 21062 1
51 . 1 1 11 11 TYR HB2 H 1 3.048 0.002 . 2 . . . . 11 TYR HB2 . 21062 1
52 . 1 1 11 11 TYR HB3 H 1 2.829 0.003 . 2 . . . . 11 TYR HB3 . 21062 1
53 . 1 1 11 11 TYR HD1 H 1 7.068 0.001 . 3 . . . . 11 TYR QD . 21062 1
54 . 1 1 11 11 TYR HD2 H 1 7.068 0.001 . 3 . . . . 11 TYR QD . 21062 1
55 . 1 1 11 11 TYR HE1 H 1 6.759 0.001 . 3 . . . . 11 TYR QE . 21062 1
56 . 1 1 11 11 TYR HE2 H 1 6.759 0.001 . 3 . . . . 11 TYR QE . 21062 1
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