Content for NMR-STAR saveframe, "chemical_shifts_set_1"
save_chemical_shifts_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shifts_set_1
_Assigned_chem_shift_list.Entry_ID 5543
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Condition_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 NOESY 1 $sample_1 . 5543 1
2 TOCSY 1 $sample_1 . 5543 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 2 2 GLN HA H 1 4.52 0.01 . 1 . . . . . . . . 5543 1
2 . 1 1 2 2 GLN HB2 H 1 2.03 0.01 . 2 . . . . . . . . 5543 1
3 . 1 1 2 2 GLN HB3 H 1 2.11 0.01 . 2 . . . . . . . . 5543 1
4 . 1 1 2 2 GLN HG2 H 1 2.4 0.01 . 2 . . . . . . . . 5543 1
5 . 1 1 3 3 ILE H H 1 8.4 0.01 . 1 . . . . . . . . 5543 1
6 . 1 1 3 3 ILE HA H 1 4.25 0.01 . 1 . . . . . . . . 5543 1
7 . 1 1 4 4 LYS H H 1 8.31 0.01 . 1 . . . . . . . . 5543 1
8 . 1 1 4 4 LYS HA H 1 4.37 0.01 . 1 . . . . . . . . 5543 1
9 . 1 1 5 5 ILE H H 1 7.81 0.01 . 1 . . . . . . . . 5543 1
10 . 1 1 5 5 ILE HA H 1 4.18 0.01 . 1 . . . . . . . . 5543 1
11 . 1 1 6 6 PHE H H 1 7.98 0.01 . 1 . . . . . . . . 5543 1
12 . 1 1 6 6 PHE HA H 1 4.58 0.01 . 1 . . . . . . . . 5543 1
13 . 1 1 6 6 PHE HB2 H 1 3.03 0.01 . 2 . . . . . . . . 5543 1
14 . 1 1 6 6 PHE HB3 H 1 2.95 0.01 . 2 . . . . . . . . 5543 1
15 . 1 1 7 7 PHE H H 1 8.01 0.01 . 1 . . . . . . . . 5543 1
16 . 1 1 7 7 PHE HA H 1 4.66 0.01 . 1 . . . . . . . . 5543 1
17 . 1 1 7 7 PHE HB2 H 1 3.17 0.01 . 2 . . . . . . . . 5543 1
18 . 1 1 7 7 PHE HB3 H 1 3.00 0.01 . 2 . . . . . . . . 5543 1
19 . 1 1 8 8 GLN H H 1 8.22 0.01 . 1 . . . . . . . . 5543 1
20 . 1 1 8 8 GLN HA H 1 4.31 0.01 . 1 . . . . . . . . 5543 1
21 . 1 1 8 8 GLN HB2 H 1 2.00 0.01 . 2 . . . . . . . . 5543 1
22 . 1 1 8 8 GLN HB3 H 1 2.07 0.01 . 2 . . . . . . . . 5543 1
23 . 1 1 8 8 GLN HG2 H 1 2.34 0.01 . 2 . . . . . . . . 5543 1
24 . 1 1 9 9 ASN H H 1 8.49 0.01 . 1 . . . . . . . . 5543 1
25 . 1 1 9 9 ASN HA H 1 4.64 0.01 . 1 . . . . . . . . 5543 1
26 . 1 1 9 9 ASN HB2 H 1 2.90 0.01 . 2 . . . . . . . . 5543 1
27 . 1 1 9 9 ASN HB3 H 1 2.81 0.01 . 2 . . . . . . . . 5543 1
28 . 1 1 10 10 ARG H H 1 8.22 0.01 . 1 . . . . . . . . 5543 1
29 . 1 1 10 10 ARG HA H 1 4.25 0.01 . 1 . . . . . . . . 5543 1
30 . 1 1 12 12 MET H H 1 8.14 0.01 . 1 . . . . . . . . 5543 1
31 . 1 1 12 12 MET HA H 1 4.4 0.01 . 1 . . . . . . . . 5543 1
32 . 1 1 12 12 MET HB2 H 1 1.98 0.01 . 2 . . . . . . . . 5543 1
33 . 1 1 12 12 MET HG2 H 1 2.49 0.01 . 2 . . . . . . . . 5543 1
34 . 1 1 12 12 MET HG3 H 1 2.44 0.01 . 2 . . . . . . . . 5543 1
35 . 1 1 13 13 LYS H H 1 8.07 0.01 . 1 . . . . . . . . 5543 1
36 . 1 1 13 13 LYS HA H 1 4.32 0.01 . 1 . . . . . . . . 5543 1
37 . 1 1 14 14 PHE H H 1 8.13 0.01 . 1 . . . . . . . . 5543 1
38 . 1 1 14 14 PHE HA H 1 4.74 0.01 . 1 . . . . . . . . 5543 1
39 . 1 1 14 14 PHE HB2 H 1 3.18 0.01 . 2 . . . . . . . . 5543 1
40 . 1 1 14 14 PHE HB3 H 1 3 0.01 . 2 . . . . . . . . 5543 1
41 . 1 1 15 15 LYS H H 1 8.11 0.01 . 1 . . . . . . . . 5543 1
42 . 1 1 15 15 LYS HA H 1 4.37 0.01 . 1 . . . . . . . . 5543 1
43 . 1 1 16 16 LYS H H 1 7.88 0.01 . 1 . . . . . . . . 5543 1
44 . 1 1 16 16 LYS HA H 1 4.15 0.01 . 1 . . . . . . . . 5543 1
stop_
save_