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 20040
_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 'The proton located at C5 on the triazole ring has the value of 7.648 ppm.'
_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 ROESY' . . . 20040 1
2 '2D 1H-1H TOCSY' . . . 20040 1
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_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 DPN HA H 1 5.014 . . 1 . . . . 1 PHE HA . 20040 1
2 . 1 1 1 1 DPN HB2 H 1 3.511 . . 2 . . . . 1 PHE QB . 20040 1
3 . 1 1 1 1 DPN HB3 H 1 3.511 . . 2 . . . . 1 PHE QB . 20040 1
4 . 1 1 1 1 DPN HD1 H 1 6.778 . . 3 . . . . 1 PHE QD . 20040 1
5 . 1 1 1 1 DPN HD2 H 1 6.778 . . 3 . . . . 1 PHE QD . 20040 1
6 . 1 1 2 2 DTR H H 1 8.082 . . 1 . . . . 2 TRP HN . 20040 1
7 . 1 1 2 2 DTR HA H 1 4.564 . . 1 . . . . 2 TRP HA . 20040 1
8 . 1 1 2 2 DTR HB2 H 1 3.046 . . 2 . . . . 2 TRP QB . 20040 1
9 . 1 1 2 2 DTR HB3 H 1 3.046 . . 2 . . . . 2 TRP QB . 20040 1
10 . 1 1 2 2 DTR HD1 H 1 7.123 . . 1 . . . . 2 TRP HD1 . 20040 1
11 . 1 1 2 2 DTR HE1 H 1 10.918 . . 1 . . . . 2 TRP HE1 . 20040 1
12 . 1 1 3 3 DLY H H 1 7.222 . . 1 . . . . 3 LYS HN . 20040 1
13 . 1 1 3 3 DLY HA H 1 4.218 . . 1 . . . . 3 LYS HA . 20040 1
14 . 1 1 3 3 DLY HB2 H 1 1.523 . . 2 . . . . 3 LYS QB . 20040 1
15 . 1 1 3 3 DLY HB3 H 1 1.523 . . 2 . . . . 3 LYS QB . 20040 1
16 . 1 1 3 3 DLY HD2 H 1 1.513 . . 2 . . . . 3 LYS QD . 20040 1
17 . 1 1 3 3 DLY HD3 H 1 1.513 . . 2 . . . . 3 LYS QD . 20040 1
18 . 1 1 3 3 DLY HE2 H 1 2.746 . . 2 . . . . 3 LYS QE . 20040 1
19 . 1 1 3 3 DLY HE3 H 1 2.746 . . 2 . . . . 3 LYS QE . 20040 1
20 . 1 1 3 3 DLY HG2 H 1 1.166 . . 2 . . . . 3 LYS QG . 20040 1
21 . 1 1 3 3 DLY HG3 H 1 1.166 . . 2 . . . . 3 LYS QG . 20040 1
22 . 1 1 3 3 DLY HZ1 H 1 7.686 . . 1 . . . . 3 LYS QZ . 20040 1
23 . 1 1 3 3 DLY HZ2 H 1 7.686 . . 1 . . . . 3 LYS QZ . 20040 1
24 . 1 1 3 3 DLY HZ3 H 1 7.686 . . 1 . . . . 3 LYS QZ . 20040 1
25 . 1 1 4 4 THR H H 1 8.243 . . 1 . . . . 4 THR HN . 20040 1
26 . 1 1 4 4 THR HA H 1 4.812 . . 1 . . . . 4 THR HA . 20040 1
27 . 1 1 4 4 THR HB H 1 3.949 . . 1 . . . . 4 THR HB . 20040 1
28 . 1 1 4 4 THR HG21 H 1 1.122 . . 1 . . . . 4 THR QG2 . 20040 1
29 . 1 1 4 4 THR HG22 H 1 1.122 . . 1 . . . . 4 THR QG2 . 20040 1
30 . 1 1 4 4 THR HG23 H 1 1.122 . . 1 . . . . 4 THR QG2 . 20040 1
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