Content for NMR-STAR saveframe, "shift_set_4"
save_shift_set_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_4
_Assigned_chem_shift_list.Entry_ID 4744
_Assigned_chem_shift_list.ID 4
_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 4
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 . 4 2 1 1 HEC HMA H 1 11.76 . . . . . . . . . . . 4744 4
2 . 4 2 1 1 HEC HMB H 1 17.031 . . . . . . . . . . . 4744 4
3 . 4 2 1 1 HEC HMC H 1 8.843 . . . . . . . . . . . 4744 4
4 . 4 2 1 1 HEC HHA H 1 -0.676 . . . . . . . . . . . 4744 4
5 . 4 2 1 1 HEC HBB H 1 2.212 . . . . . . . . . . . 4744 4
6 . 4 2 1 1 HEC HAB H 1 0.596 . . . . . . . . . . . 4744 4
7 . 4 2 1 1 HEC HHB H 1 1.793 . . . . . . . . . . . 4744 4
8 . 4 2 1 1 HEC HAC H 1 -0.555 . . . . . . . . . . . 4744 4
9 . 4 2 1 1 HEC 1HAA H 1 0.823 . . . . . . . . . . . 4744 4
10 . 4 2 1 1 HEC 2HAA H 1 3.188 . . . . . . . . . . . 4744 4
11 . 4 2 1 1 HEC 1HBA H 1 -0.863 . . . . . . . . . . . 4744 4
12 . 4 2 1 1 HEC 2HBA H 1 -1.125 . . . . . . . . . . . 4744 4
13 . 4 2 1 1 HEC HHD H 1 1.868 . . . . . . . . . . . 4744 4
14 . 4 2 1 1 HEC HA H 1 10.298 . . . . . . . . . . . 4744 4
15 . 4 2 1 1 HEC HB2 H 1 9.61 . . . . . . . . . . . 4744 4
16 . 4 2 1 1 HEC HB3 H 1 11.494 . . . . . . . . . . . 4744 4
17 . 4 2 1 1 HEC 1HAD H 1 7.178 . . . . . . . . . . . 4744 4
18 . 4 2 1 1 HEC 2HAD H 1 6.417 . . . . . . . . . . . 4744 4
19 . 4 2 1 1 HEC 1HBD H 1 -0.447 . . . . . . . . . . . 4744 4
20 . 4 2 1 1 HEC 2HBD H 1 -1.147 . . . . . . . . . . . 4744 4
21 . 4 2 1 1 HEC HMD H 1 20.169 . . . . . . . . . . . 4744 4
stop_
save_