Content for NMR-STAR saveframe, "shift_set_2"
save_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_2
_Assigned_chem_shift_list.Entry_ID 4744
_Assigned_chem_shift_list.ID 2
_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 2
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 . 2 2 1 1 HEC 1HAA H 1 12.378 . . . . . . . . . . . 4744 2
2 . 2 2 1 1 HEC 2HAA H 1 6.802 . . . . . . . . . . . 4744 2
3 . 2 2 1 1 HEC 1HBA H 1 1.022 . . . . . . . . . . . 4744 2
4 . 2 2 1 1 HEC 2HBA H 1 0.266 . . . . . . . . . . . 4744 2
5 . 2 2 1 1 HEC HMA H 1 24.528 . . . . . . . . . . . 4744 2
6 . 2 2 1 1 HEC HHD H 1 4.703 . . . . . . . . . . . 4744 2
7 . 2 2 1 1 HEC HMB H 1 8.64 . . . . . . . . . . . 4744 2
8 . 2 2 1 1 HEC HHA H 1 1.144 . . . . . . . . . . . 4744 2
9 . 2 2 1 1 HEC HAB H 1 -1.755 . . . . . . . . . . . 4744 2
10 . 2 2 1 1 HEC HBB H 1 -0.711 . . . . . . . . . . . 4744 2
11 . 2 2 1 1 HEC HHB H 1 0.072 . . . . . . . . . . . 4744 2
12 . 2 2 1 1 HEC HBC H 1 -1.805 . . . . . . . . . . . 4744 2
13 . 2 2 1 1 HEC HAC H 1 -2.315 . . . . . . . . . . . 4744 2
14 . 2 2 1 1 HEC HHC H 1 -1.804 . . . . . . . . . . . 4744 2
15 . 2 2 1 1 HEC HMD H 1 9.227 . . . . . . . . . . . 4744 2
16 . 2 2 1 1 HEC 2HAD H 1 1.765 . . . . . . . . . . . 4744 2
17 . 2 2 1 1 HEC 1HAD H 1 1.442 . . . . . . . . . . . 4744 2
18 . 2 2 1 1 HEC 1HBD H 1 0.062 . . . . . . . . . . . 4744 2
19 . 2 2 1 1 HEC 2HBD H 1 0.108 . . . . . . . . . . . 4744 2
stop_
save_