Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6168
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_1 . 6168 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 ARG HA H 1 4.093 0.004 . 1 . . . . 1 . . . 6168 1
2 . 1 1 1 1 ARG HB2 H 1 1.888 0.007 . 2 . . . . 1 . . . 6168 1
3 . 1 1 1 1 ARG HB3 H 1 1.836 0.009 . 2 . . . . 1 . . . 6168 1
4 . 1 1 1 1 ARG HD2 H 1 3.197 0.002 . 1 . . . . 1 . . . 6168 1
5 . 1 1 1 1 ARG HD3 H 1 3.197 0.002 . 1 . . . . 1 . . . 6168 1
6 . 1 1 1 1 ARG HE H 1 7.525 0.002 . 1 . . . . 1 . . . 6168 1
7 . 1 1 1 1 ARG HG2 H 1 1.578 0.003 . 1 . . . . 1 . . . 6168 1
8 . 1 1 1 1 ARG HG3 H 1 1.578 0.003 . 1 . . . . 1 . . . 6168 1
9 . 1 1 1 1 ARG H H 1 8.646 0.001 . 1 . . . . 1 . . . 6168 1
10 . 1 1 2 2 ARG HA H 1 4.146 0.003 . 1 . . . . 2 . . . 6168 1
11 . 1 1 2 2 ARG HB2 H 1 1.622 0.003 . 1 . . . . 2 . . . 6168 1
12 . 1 1 2 2 ARG HB3 H 1 1.713 0.003 . 1 . . . . 2 . . . 6168 1
13 . 1 1 2 2 ARG HD2 H 1 2.977 0.002 . 2 . . . . 2 . . . 6168 1
14 . 1 1 2 2 ARG HD3 H 1 2.877 0.003 . 2 . . . . 2 . . . 6168 1
15 . 1 1 2 2 ARG HE H 1 7.414 0.001 . 1 . . . . 2 . . . 6168 1
16 . 1 1 2 2 ARG HG2 H 1 1.406 0.003 . 2 . . . . 2 . . . 6168 1
17 . 1 1 2 2 ARG HG3 H 1 1.265 0.003 . 2 . . . . 2 . . . 6168 1
18 . 1 1 2 2 ARG H H 1 8.565 0.001 . 1 . . . . 2 . . . 6168 1
19 . 1 1 3 3 NAL H3 H 1 4.742 0.002 . 1 . . . . 3 . . . 6168 1
20 . 1 1 3 3 NAL H4 H 1 3.360 0.003 . 2 . . . . 3 . . . 6168 1
21 . 1 1 3 3 NAL H5 H 1 3.219 0.003 . 2 . . . . 3 . . . 6168 1
22 . 1 1 3 3 NAL H6 H 1 7.358 0.004 . 1 . . . . 3 . . . 6168 1
23 . 1 1 3 3 NAL H7 H 1 7.640 0.003 . 1 . . . . 3 . . . 6168 1
24 . 1 1 3 3 NAL H1 H 1 7.547 0.004 . 1 . . . . 3 . . . 6168 1
25 . 1 1 4 4 NAL H3 H 1 4.633 0.003 . 1 . . . . 4 . . . 6168 1
26 . 1 1 4 4 NAL H4 H 1 3.318 0.002 . 2 . . . . 4 . . . 6168 1
27 . 1 1 4 4 NAL H5 H 1 3.220 0.003 . 2 . . . . 4 . . . 6168 1
28 . 1 1 4 4 NAL H6 H 1 7.467 0.014 . 1 . . . . 4 . . . 6168 1
29 . 1 1 4 4 NAL H7 H 1 7.549 0.003 . 1 . . . . 4 . . . 6168 1
30 . 1 1 4 4 NAL H8 H 1 7.882 0.009 . 1 . . . . 4 . . . 6168 1
31 . 1 1 4 4 NAL H91 H 1 7.849 0.004 . 1 . . . . 4 . . . 6168 1
32 . 1 1 4 4 NAL H92 H 1 7.437 0.002 . 1 . . . . 4 . . . 6168 1
33 . 1 1 4 4 NAL H1 H 1 9.022 0.003 . 1 . . . . 4 . . . 6168 1
34 . 1 1 4 4 NAL HXT H 1 7.430 0.003 . 1 . . . . 4 . . . 6168 1
35 . 1 1 5 5 ARG HA H 1 3.991 0.002 . 1 . . . . 5 . . . 6168 1
36 . 1 1 5 5 ARG HB2 H 1 1.598 0.003 . 2 . . . . 5 . . . 6168 1
37 . 1 1 5 5 ARG HB3 H 1 1.020 0.004 . 2 . . . . 5 . . . 6168 1
38 . 1 1 5 5 ARG HD2 H 1 2.694 0.005 . 2 . . . . 5 . . . 6168 1
39 . 1 1 5 5 ARG HD3 H 1 2.406 0.007 . 2 . . . . 5 . . . 6168 1
40 . 1 1 5 5 ARG HE H 1 7.083 0.002 . 1 . . . . 5 . . . 6168 1
41 . 1 1 5 5 ARG HG2 H 1 0.775 0.009 . 2 . . . . 5 . . . 6168 1
42 . 1 1 5 5 ARG HG3 H 1 0.466 0.007 . 2 . . . . 5 . . . 6168 1
43 . 1 1 5 5 ARG H H 1 7.221 0.004 . 1 . . . . 5 . . . 6168 1
44 . 1 1 6 6 PHE HA H 1 4.743 0.005 . 1 . . . . 6 . . . 6168 1
45 . 1 1 6 6 PHE HB2 H 1 2.984 0.003 . 1 . . . . 6 . . . 6168 1
46 . 1 1 6 6 PHE HB3 H 1 3.534 0.003 . 1 . . . . 6 . . . 6168 1
47 . 1 1 6 6 PHE HD1 H 1 7.128 0.003 . 1 . . . . 6 . . . 6168 1
48 . 1 1 6 6 PHE HD2 H 1 7.128 0.003 . 1 . . . . 6 . . . 6168 1
49 . 1 1 6 6 PHE HE1 H 1 7.260 0.006 . 1 . . . . 6 . . . 6168 1
50 . 1 1 6 6 PHE HE2 H 1 7.260 0.006 . 1 . . . . 6 . . . 6168 1
51 . 1 1 6 6 PHE H H 1 8.148 0.002 . 1 . . . . 6 . . . 6168 1
52 . 1 1 6 6 PHE HZ H 1 7.253 0.002 . 1 . . . . 6 . . . 6168 1
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