Content for NMR-STAR saveframe, "assigned_chem_shift_list_pH_2_3-2"
save_assigned_chem_shift_list_pH_2_3-2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_pH_2_3-2
_Assigned_chem_shift_list.Entry_ID 28130
_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 $chemical_shift_reference_1
_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
;
-We used the atom nomenclature of tryptophan.
-Due to the stereocenter of Oia, 2 spinsystems are seen.
;
_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 '2D 1H-13C HSQC' . . . 28130 2
2 '2D 1H-1H TOCSY' . . . 28130 2
3 '2D 1H-1H COSY' . . . 28130 2
4 '2D 1H-13C HMBC' . . . 28130 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 . 1 . 1 4 4 OIA HA H 1 4.418 0.005 . 1 . . . . . 14 OIA HA . 28130 2
2 . 1 . 1 4 4 OIA HB2 H 1 2.624 0.005 . 2 . . . . . 14 OIA HB2 . 28130 2
3 . 1 . 1 4 4 OIA HB3 H 1 2.516 0.005 . 2 . . . . . 14 OIA HB3 . 28130 2
4 . 1 . 1 4 4 OIA HG H 1 3.762 0.005 . 1 . . . . . 14 OIA HG . 28130 2
5 . 1 . 1 4 4 OIA HZ2 H 1 6.993 0.005 . 1 . . . . . 14 OIA HZ2 . 28130 2
6 . 1 . 1 4 4 OIA HZ3 H 1 7.150 0.005 . 1 . . . . . 14 OIA HZ3 . 28130 2
7 . 1 . 1 4 4 OIA C C 13 176.300 0.100 . 1 . . . . . 14 OIA C . 28130 2
8 . 1 . 1 4 4 OIA CA C 13 53.533 0.100 . 1 . . . . . 14 OIA CA . 28130 2
9 . 1 . 1 4 4 OIA CB C 13 33.128 0.100 . 1 . . . . . 14 OIA CB . 28130 2
10 . 1 . 1 4 4 OIA CD1 C 13 184.400 0.100 . 1 . . . . . 14 OIA CD1 . 28130 2
11 . 1 . 1 4 4 OIA CD2 C 13 130.600 0.100 . 1 . . . . . 14 OIA CD2 . 28130 2
12 . 1 . 1 4 4 OIA CZ2 C 13 113.256 0.100 . 1 . . . . . 14 OIA CZ2 . 28130 2
stop_
save_