Content for NMR-STAR saveframe, "shift_set_5"
save_shift_set_5
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_5
_Assigned_chem_shift_list.Entry_ID 5625
_Assigned_chem_shift_list.ID 5
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_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 . 5625 5
. . 2 $sample_2 . 5625 5
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 . 5 2 1 1 HEC HAC H 1 1.62 0.01 . 1 . . . . . . . . 5625 5
2 . 5 2 1 1 HEC HBC H 1 -0.69 0.01 . 1 . . . . . . . . 5625 5
3 . 5 2 1 1 HEC HMC H 1 9.92 0.01 . 1 . . . . . . . . 5625 5
4 . 5 2 1 1 HEC HHD H 1 -3.72 0.01 . 1 . . . . . . . . 5625 5
5 . 5 2 1 1 HEC HMD H 1 17.07 0.01 . 1 . . . . . . . . 5625 5
6 . 5 2 1 1 HEC HAD1 H 1 -3.49 0.01 . 2 . . . . . . . . 5625 5
7 . 5 2 1 1 HEC HAD2 H 1 -0.21 0.01 . 2 . . . . . . . . 5625 5
8 . 5 2 1 1 HEC HBD1 H 1 1.32 0.01 . 2 . . . . . . . . 5625 5
9 . 5 2 1 1 HEC HBD2 H 1 0.49 0.01 . 2 . . . . . . . . 5625 5
10 . 5 2 1 1 HEC HHA H 1 11.98 0.01 . 1 . . . . . . . . 5625 5
11 . 5 2 1 1 HEC HAA1 H 1 9.10 0.01 . 2 . . . . . . . . 5625 5
12 . 5 2 1 1 HEC HAA2 H 1 5.56 0.01 . 2 . . . . . . . . 5625 5
13 . 5 2 1 1 HEC HBA1 H 1 3.46 0.01 . 2 . . . . . . . . 5625 5
14 . 5 2 1 1 HEC HBA2 H 1 3.11 0.01 . 2 . . . . . . . . 5625 5
15 . 5 2 1 1 HEC HMA H 1 29.52 0.01 . 1 . . . . . . . . 5625 5
16 . 5 2 1 1 HEC HHB H 1 -0.32 0.01 . 1 . . . . . . . . 5625 5
17 . 5 2 1 1 HEC HMB H 1 18.06 0.01 . 1 . . . . . . . . 5625 5
18 . 5 2 1 1 HEC HAB H 1 1.44 0.01 . 1 . . . . . . . . 5625 5
19 . 5 2 1 1 HEC HBB H 1 0.98 0.01 . 1 . . . . . . . . 5625 5
20 . 5 2 1 1 HEC HHC H 1 12.59 0.01 . 1 . . . . . . . . 5625 5
stop_
save_