Content for NMR-STAR saveframe, "chemical_shift_set_2"
save_chemical_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2
_Assigned_chem_shift_list.Entry_ID 5279
_Assigned_chem_shift_list.ID 2
_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 . 5279 2
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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 . 2 2 1 1 HEC HHC H 1 0.108 . . . . . . . . . . . 5279 2
2 . 2 2 1 1 HEC HAD1 H 1 1.124 . . . . . . . . . . . 5279 2
3 . 2 2 1 1 HEC HAD2 H 1 1.828 . . . . . . . . . . . 5279 2
4 . 2 2 1 1 HEC HAA1 H 1 12.613 . . . . . . . . . . . 5279 2
5 . 2 2 1 1 HEC HAA2 H 1 6.903 . . . . . . . . . . . 5279 2
6 . 2 2 1 1 HEC HBD1 H 1 0.062 . . . . . . . . . . . 5279 2
7 . 2 2 1 1 HEC HBD2 H 1 0.102 . . . . . . . . . . . 5279 2
8 . 2 2 1 1 HEC HBA1 H 1 1.035 . . . . . . . . . . . 5279 2
9 . 2 2 1 1 HEC HBA2 H 1 0.313 . . . . . . . . . . . 5279 2
10 . 2 2 1 1 HEC HHA H 1 1.162 . . . . . . . . . . . 5279 2
11 . 2 2 1 1 HEC HHD H 1 4.703 . . . . . . . . . . . 5279 2
12 . 2 2 1 1 HEC HAB H 1 -1.782 . . . . . . . . . . . 5279 2
13 . 2 2 1 1 HEC HAC H 1 -2.317 . . . . . . . . . . . 5279 2
14 . 2 2 1 1 HEC HMB1 H 1 8.629 . . . . . . . . . . . 5279 2
15 . 2 2 1 1 HEC HMB2 H 1 8.629 . . . . . . . . . . . 5279 2
16 . 2 2 1 1 HEC HMB3 H 1 8.629 . . . . . . . . . . . 5279 2
17 . 2 2 1 1 HEC HMC1 H 1 18.309 . . . . . . . . . . . 5279 2
18 . 2 2 1 1 HEC HMC2 H 1 18.309 . . . . . . . . . . . 5279 2
19 . 2 2 1 1 HEC HMC3 H 1 18.309 . . . . . . . . . . . 5279 2
20 . 2 2 1 1 HEC HMD1 H 1 9.079 . . . . . . . . . . . 5279 2
21 . 2 2 1 1 HEC HMD2 H 1 9.079 . . . . . . . . . . . 5279 2
22 . 2 2 1 1 HEC HMD3 H 1 9.079 . . . . . . . . . . . 5279 2
23 . 2 2 1 1 HEC HMA1 H 1 24.913 . . . . . . . . . . . 5279 2
24 . 2 2 1 1 HEC HMA2 H 1 24.913 . . . . . . . . . . . 5279 2
25 . 2 2 1 1 HEC HMA3 H 1 24.913 . . . . . . . . . . . 5279 2
26 . 2 2 1 1 HEC HBB1 H 1 -0.707 . . . . . . . . . . . 5279 2
27 . 2 2 1 1 HEC HBB2 H 1 -0.707 . . . . . . . . . . . 5279 2
28 . 2 2 1 1 HEC HBB3 H 1 -0.707 . . . . . . . . . . . 5279 2
29 . 2 2 1 1 HEC HBC1 H 1 -1.855 . . . . . . . . . . . 5279 2
30 . 2 2 1 1 HEC HBC2 H 1 -1.855 . . . . . . . . . . . 5279 2
31 . 2 2 1 1 HEC HBC3 H 1 -1.855 . . . . . . . . . . . 5279 2
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save_