Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 20073
_Assigned_chem_shift_list.ID 1
_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 'HT5 represents the only proton on the triazole ring. In this case, the triazole is at the C4 position.'
_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-1H TOCSY' . . . 20073 1
2 '2D 1H-1H ROESY' . . . 20073 1
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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 . 1 1 1 1 TRP H H 1 7.451 0.004 . 1 . . . . 1 TRP HN . 20073 1
2 . 1 1 1 1 TRP HA H 1 3.929 0.006 . 1 . . . . 1 TRP HA . 20073 1
3 . 1 1 1 1 TRP HB2 H 1 2.924 0.048 . 2 . . . . 1 TRP QB . 20073 1
4 . 1 1 1 1 TRP HB3 H 1 2.924 0.048 . 2 . . . . 1 TRP QB . 20073 1
5 . 1 1 2 2 UVR H H 1 8.257 0.001 . 1 . . . . 2 LEU HN . 20073 1
6 . 1 1 2 2 UVR HA H 1 5.138 0.007 . 1 . . . . 2 LEU HA . 20073 1
7 . 1 1 2 2 UVR HB2 H 1 1.677 0.004 . 2 . . . . 2 LEU QB . 20073 1
8 . 1 1 2 2 UVR HB3 H 1 1.677 0.004 . 2 . . . . 2 LEU QB . 20073 1
9 . 1 1 2 2 UVR HG H 1 1.57 0.004 . 1 . . . . 2 LEU HG . 20073 1
10 . 1 1 3 3 UVR HT5 H 1 7.691 0 . 1 . . . . 2 LEU HT5 . 20073 1
11 . 1 1 3 3 UVR HA H 1 4.833 0.004 . 1 . . . . 3 ALA HA . 20073 1
12 . 1 1 4 4 UVR HA H 1 4.105 0.009 . 1 . . . . 4 AOD HA . 20073 1
13 . 1 1 4 4 UVR HN H 1 8.583 0.002 . 1 . . . . 4 AOD HN . 20073 1
14 . 1 1 4 4 UVR HB2 H 1 1.316 0.081 . 2 . . . . 4 AOD QB . 20073 1
15 . 1 1 4 4 UVR HB3 H 1 1.316 0.081 . 2 . . . . 4 AOD QB . 20073 1
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save_