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 21045
_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 21045 1
2 '2D 1H-1H COSY' 1 $sample_1 isotropic 21045 1
3 '2D 1H-1H ROESY' 1 $sample_1 isotropic 21045 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_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 TYR HA H 1 4.168 0.035 . 1 . . . . 1 Y HA . 21045 1
2 . 1 1 1 1 TYR HB2 H 1 3.098 0.031 . 1 . . . . 1 Y HB1 . 21045 1
3 . 1 1 1 1 TYR HB3 H 1 3.007 0.036 . 1 . . . . 1 Y HB2 . 21045 1
4 . 1 1 1 1 TYR HD1 H 1 7.077 0.032 . 3 . . . . 1 Y HD# . 21045 1
5 . 1 1 1 1 TYR HD2 H 1 7.077 0.032 . 3 . . . . 1 Y HD# . 21045 1
6 . 1 1 1 1 TYR HE1 H 1 6.769 0.035 . 3 . . . . 1 Y HE# . 21045 1
7 . 1 1 1 1 TYR HE2 H 1 6.769 0.035 . 3 . . . . 1 Y HE# . 21045 1
8 . 1 1 2 2 SER H H 1 8.313 0.030 . 1 . . . . 2 S HN . 21045 1
9 . 1 1 2 2 SER HA H 1 4.507 0.012 . 1 . . . . 2 S HA . 21045 1
10 . 1 1 2 2 SER HB2 H 1 3.764 0.031 . 2 . . . . 2 S HB# . 21045 1
11 . 1 1 2 2 SER HB3 H 1 3.764 0.031 . 2 . . . . 2 S HB# . 21045 1
12 . 1 1 3 3 THR H H 1 7.956 0.032 . 1 . . . . 3 T HN . 21045 1
13 . 1 1 3 3 THR HA H 1 4.258 0.002 . 1 . . . . 3 T HA . 21045 1
14 . 1 1 3 3 THR HB H 1 4.184 0.004 . 1 . . . . 3 T HB . 21045 1
15 . 1 1 3 3 THR HG21 H 1 1.093 0.033 . 1 . . . . 3 T HG# . 21045 1
16 . 1 1 3 3 THR HG22 H 1 1.093 0.033 . 1 . . . . 3 T HG# . 21045 1
17 . 1 1 3 3 THR HG23 H 1 1.093 0.033 . 1 . . . . 3 T HG# . 21045 1
18 . 1 1 4 4 CYS H H 1 8.178 0.032 . 1 . . . . 4 C HN . 21045 1
19 . 1 1 4 4 CYS HA H 1 4.444 0.009 . 1 . . . . 4 C HA . 21045 1
20 . 1 1 4 4 CYS HB2 H 1 3.247 0.035 . 1 . . . . 4 C HB1 . 21045 1
21 . 1 1 4 4 CYS HB3 H 1 2.926 0.033 . 1 . . . . 4 C HB2 . 21045 1
22 . 1 1 5 5 ASP H H 1 8.335 0.034 . 1 . . . . 5 D HN . 21045 1
23 . 1 1 5 5 ASP HA H 1 4.525 0.003 . 1 . . . . 5 D HA . 21045 1
24 . 1 1 5 5 ASP HB2 H 1 2.589 0.039 . 2 . . . . 5 D HB# . 21045 1
25 . 1 1 5 5 ASP HB3 H 1 2.589 0.039 . 2 . . . . 5 D HB# . 21045 1
26 . 1 1 6 6 PHE H H 1 8.009 0.033 . 1 . . . . 6 F HN . 21045 1
27 . 1 1 6 6 PHE HA H 1 4.483 0.011 . 1 . . . . 6 F HA . 21045 1
28 . 1 1 6 6 PHE HB2 H 1 3.137 0.033 . 2 . . . . 6 F HB# . 21045 1
29 . 1 1 6 6 PHE HB3 H 1 3.137 0.033 . 2 . . . . 6 F HB# . 21045 1
30 . 1 1 6 6 PHE HD1 H 1 7.228 0.036 . 3 . . . . 6 F HD# . 21045 1
31 . 1 1 6 6 PHE HD2 H 1 7.228 0.036 . 3 . . . . 6 F HD# . 21045 1
32 . 1 1 6 6 PHE HE1 H 1 7.312 0.035 . 3 . . . . 6 F HE# . 21045 1
33 . 1 1 6 6 PHE HE2 H 1 7.312 0.035 . 3 . . . . 6 F HE# . 21045 1
34 . 1 1 7 7 ILE H H 1 7.707 0.034 . 1 . . . . 7 I HN . 21045 1
35 . 1 1 7 7 ILE HA H 1 3.955 0.032 . 1 . . . . 7 I HA . 21045 1
36 . 1 1 7 7 ILE HB H 1 1.925 0.034 . 1 . . . . 7 I HB . 21045 1
37 . 1 1 7 7 ILE HD11 H 1 0.739 0.035 . 1 . . . . 7 I HD# . 21045 1
38 . 1 1 7 7 ILE HD12 H 1 0.739 0.035 . 1 . . . . 7 I HD# . 21045 1
39 . 1 1 7 7 ILE HD13 H 1 0.739 0.035 . 1 . . . . 7 I HD# . 21045 1
40 . 1 1 7 7 ILE HG12 H 1 1.145 0.037 . 2 . . . . 7 I HG1# . 21045 1
41 . 1 1 7 7 ILE HG13 H 1 1.145 0.037 . 2 . . . . 7 I HG1# . 21045 1
42 . 1 1 7 7 ILE HG21 H 1 0.882 0.031 . 1 . . . . 7 I HG2# . 21045 1
43 . 1 1 7 7 ILE HG22 H 1 0.882 0.031 . 1 . . . . 7 I HG2# . 21045 1
44 . 1 1 7 7 ILE HG23 H 1 0.882 0.031 . 1 . . . . 7 I HG2# . 21045 1
45 . 1 1 8 8 MET H H 1 8.566 0.036 . 1 . . . . 8 M HN . 21045 1
46 . 1 1 8 8 MET HA H 1 4.536 0.005 . 1 . . . . 8 M HA . 21045 1
47 . 1 1 8 8 MET HB2 H 1 2.214 0.012 . 1 . . . . 8 M HB1 . 21045 1
48 . 1 1 8 8 MET HB3 H 1 2.028 0.027 . 1 . . . . 8 M HB2 . 21045 1
49 . 1 1 8 8 MET HG2 H 1 2.578 0.032 . 1 . . . . 8 M HG1 . 21045 1
50 . 1 1 8 8 MET HG3 H 1 2.443 0.032 . 1 . . . . 8 M HG2 . 21045 1
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