Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50135
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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 chemical shift for the second conformers.'
_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 '3D NCACX' . . . 50135 2
2 '3D NCOCX' . . . 50135 2
3 '3D CANcoCA' . . . 50135 2
4 '2D C-C' . . . 50135 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 . 1 71 71 PHE C C 13 178.600 0.1 . . . . . . . 71 F C . 50135 2
2 . 2 . 1 71 71 PHE CA C 13 62.000 0.1 . . . . . . . 71 F CA . 50135 2
3 . 2 . 1 71 71 PHE CB C 13 37.600 0.1 . . . . . . . 71 F CB . 50135 2
4 . 2 . 1 71 71 PHE CD1 C 13 131.000 0.1 . . . . . . . 71 F CD1 . 50135 2
5 . 2 . 1 71 71 PHE N N 15 120.300 0.1 . . . . . . . 71 F N . 50135 2
6 . 2 . 1 72 72 VAL C C 13 179.300 0.1 . . . . . . . 72 V C . 50135 2
7 . 2 . 1 72 72 VAL CA C 13 68.600 0.1 . . . . . . . 72 V CA . 50135 2
8 . 2 . 1 72 72 VAL CB C 13 31.600 0.1 . . . . . . . 72 V CB . 50135 2
9 . 2 . 1 72 72 VAL CG1 C 13 24.100 0.1 . . . . . . . 72 V CG1 . 50135 2
10 . 2 . 1 72 72 VAL CG2 C 13 22.100 0.1 . . . . . . . 72 V CG2 . 50135 2
11 . 2 . 1 72 72 VAL N N 15 123.100 0.1 . . . . . . . 72 V N . 50135 2
12 . 2 . 1 73 73 VAL C C 13 176.500 0.1 . . . . . . . 73 V C . 50135 2
13 . 2 . 1 73 73 VAL CA C 13 68.200 0.1 . . . . . . . 73 V CA . 50135 2
14 . 2 . 1 73 73 VAL CB C 13 31.200 0.1 . . . . . . . 73 V CB . 50135 2
15 . 2 . 1 73 73 VAL CG1 C 13 24.100 0.1 . . . . . . . 73 V CG1 . 50135 2
16 . 2 . 1 73 73 VAL CG2 C 13 22.000 0.1 . . . . . . . 73 V CG2 . 50135 2
17 . 2 . 1 73 73 VAL N N 15 123.700 0.1 . . . . . . . 73 V N . 50135 2
stop_
save_