Content for NMR-STAR saveframe, "chemical_shift_set_3"
save_chemical_shift_set_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_3
_Assigned_chem_shift_list.Entry_ID 4743
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_2
_Assigned_chem_shift_list.Chem_shift_reference_ID .
_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
. . 2 $sample_2 . 4743 3
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 . 3 2 1 1 HEC HMB H 1 4.18 . . . . . . . . . . . 4743 3
2 . 3 2 1 1 HEC HAB H 1 6.40 . . . . . . . . . . . 4743 3
3 . 3 2 1 1 HEC HBB H 1 1.56 . . . . . . . . . . . 4743 3
4 . 3 2 1 1 HEC HHB H 1 10.33 . . . . . . . . . . . 4743 3
5 . 3 2 1 1 HEC HMC H 1 4.10 . . . . . . . . . . . 4743 3
6 . 3 2 1 1 HEC HAC H 1 6.53 . . . . . . . . . . . 4743 3
7 . 3 2 1 1 HEC HBC H 1 2.98 . . . . . . . . . . . 4743 3
8 . 3 2 1 1 HEC HHC H 1 9.76 . . . . . . . . . . . 4743 3
9 . 3 2 1 1 HEC HMD H 1 3.54 . . . . . . . . . . . 4743 3
10 . 3 2 1 1 HEC 1HAD H 1 3.93 . . . . . . . . . . . 4743 3
11 . 3 2 1 1 HEC 1HBD H 1 1.84 . . . . . . . . . . . 4743 3
12 . 3 2 1 1 HEC HHD H 1 9.51 . . . . . . . . . . . 4743 3
13 . 3 2 1 1 HEC 1HAA H 1 4.49 . . . . . . . . . . . 4743 3
14 . 3 2 1 1 HEC 1HBA H 1 4.08 . . . . . . . . . . . 4743 3
15 . 3 2 1 1 HEC 2HAA H 1 3.31 . . . . . . . . . . . 4743 3
16 . 3 2 1 1 HEC 2HBA H 1 3.79 . . . . . . . . . . . 4743 3
17 . 3 2 1 1 HEC HMA H 1 3.97 . . . . . . . . . . . 4743 3
18 . 3 2 1 1 HEC HHA H 1 10.18 . . . . . . . . . . . 4743 3
stop_
save_