Content for NMR-STAR saveframe, "shift_set_3"
save_shift_set_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_3
_Assigned_chem_shift_list.Entry_ID 4744
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 4744 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 1HAA H 1 4.561 . . . . . . . . . . . 4744 3
2 . 3 2 1 1 HEC 2HAA H 1 3.119 . . . . . . . . . . . 4744 3
3 . 3 2 1 1 HEC 1HBA H 1 -1.215 . . . . . . . . . . . 4744 3
4 . 3 2 1 1 HEC 2HBA H 1 -1.383 . . . . . . . . . . . 4744 3
5 . 3 2 1 1 HEC HMA H 1 -0.814 . . . . . . . . . . . 4744 3
6 . 3 2 1 1 HEC HMB H 1 14.633 . . . . . . . . . . . 4744 3
7 . 3 2 1 1 HEC HMC H 1 14.289 . . . . . . . . . . . 4744 3
8 . 3 2 1 1 HEC HBB H 1 -1.382 . . . . . . . . . . . 4744 3
9 . 3 2 1 1 HEC HAB H 1 -1.721 . . . . . . . . . . . 4744 3
10 . 3 2 1 1 HEC HHA H 1 8.822 . . . . . . . . . . . 4744 3
11 . 3 2 1 1 HEC HHB H 1 -1.453 . . . . . . . . . . . 4744 3
12 . 3 2 1 1 HEC HBC H 1 -0.83 . . . . . . . . . . . 4744 3
13 . 3 2 1 1 HEC HAC H 1 -0.54 . . . . . . . . . . . 4744 3
14 . 3 2 1 1 HEC HMD H 1 18.037 . . . . . . . . . . . 4744 3
15 . 3 2 1 1 HEC 1HAD H 1 17.92 . . . . . . . . . . . 4744 3
16 . 3 2 1 1 HEC 2HAD H 1 17.683 . . . . . . . . . . . 4744 3
17 . 3 2 1 1 HEC 1HBD H 1 -1.446 . . . . . . . . . . . 4744 3
18 . 3 2 1 1 HEC 2HBD H 1 -1.095 . . . . . . . . . . . 4744 3
19 . 3 2 1 1 HEC HHC H 1 10.26 . . . . . . . . . . . 4744 3
stop_
save_