Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52995
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'chemical shift assignments'
_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 .
_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 .
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_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-15N HSQC' . . . 52995 1
2 '2D 1H-13C HSQC aliphatic' . . . 52995 1
3 '2D 1H-13C HSQC aromatic' . . . 52995 1
4 '2D 1H-1H TOCSY' . . . 52995 1
5 '2D 1H-1H COSY' . . . 52995 1
6 '1D 13C' . . . 52995 1
7 '1D 19F' . . . 52995 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52995 1
2 $software_2 . . 52995 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_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 3 3 F7W H H 1 8.299 0.000 . 1 . . . . . 3 F7W H . 52995 1
2 . 1 . 1 3 3 F7W HA H 1 4.659 0.000 . 1 . . . . . 3 F7W HA . 52995 1
3 . 1 . 1 3 3 F7W HB2 H 1 3.263 0.000 . 2 . . . . . 3 F7W HB2 . 52995 1
4 . 1 . 1 3 3 F7W HB3 H 1 3.263 0.000 . 2 . . . . . 3 F7W HB3 . 52995 1
5 . 1 . 1 3 3 F7W HD1 H 1 7.304 0.000 . 1 . . . . . 3 F7W HD1 . 52995 1
6 . 1 . 1 3 3 F7W HE1 H 1 10.654 0.000 . 1 . . . . . 3 F7W HE1 . 52995 1
7 . 1 . 1 3 3 F7W HE3 H 1 7.421 0.000 . 1 . . . . . 3 F7W HE3 . 52995 1
8 . 1 . 1 3 3 F7W HZ3 H 1 7.096 0.000 . 1 . . . . . 3 F7W HZ3 . 52995 1
9 . 1 . 1 3 3 F7W HH2 H 1 6.989 0.000 . 1 . . . . . 3 F7W HH2 . 52995 1
10 . 1 . 1 3 3 F7W C C 13 176.050 0.000 . 1 . . . . . 3 F7W C . 52995 1
11 . 1 . 1 3 3 F7W CA C 13 57.423 0.000 . 1 . . . . . 3 F7W CA . 52995 1
12 . 1 . 1 3 3 F7W CB C 13 29.657 0.000 . 1 . . . . . 3 F7W CB . 52995 1
13 . 1 . 1 3 3 F7W CG C 13 112.400 0.000 . 1 . . . . . 3 F7W CG . 52995 1
14 . 1 . 1 3 3 F7W CD1 C 13 128.322 0.000 . 1 . . . . . 3 F7W CD1 . 52995 1
15 . 1 . 1 3 3 F7W CD2 C 13 133.600 0.000 . 1 . . . . . 3 F7W CD2 . 52995 1
16 . 1 . 1 3 3 F7W CE2 C 13 127.100 0.000 . 1 . . . . . 3 F7W CE2 . 52995 1
17 . 1 . 1 3 3 F7W CE3 C 13 117.008 0.000 . 1 . . . . . 3 F7W CE3 . 52995 1
18 . 1 . 1 3 3 F7W CZ2 C 13 119.100 0.000 . 1 . . . . . 3 F7W CZ2 . 52995 1
19 . 1 . 1 3 3 F7W CZ3 C 13 122.593 0.000 . 1 . . . . . 3 F7W CZ3 . 52995 1
20 . 1 . 1 3 3 F7W CH2 C 13 109.452 0.000 . 1 . . . . . 3 F7W CH2 . 52995 1
21 . 1 . 1 3 3 F7W N N 15 121.586 0.000 . 1 . . . . . 3 F7W N . 52995 1
22 . 1 . 1 3 3 F7W NE1 N 15 124.094 0.000 . 1 . . . . . 3 F7W NE1 . 52995 1
23 . 1 . 1 3 3 F7W FZ2 F 19 -133.950 0.000 . 1 . . . . . 3 F7W FZ2 . 52995 1
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