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 52996
_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' . . . 52996 1
2 '2D 1H-13C HSQC aliphatic' . . . 52996 1
3 '2D 1H-13C HSQC aromatic' . . . 52996 1
4 '2D 1H-1H TOCSY' . . . 52996 1
5 '2D 1H-1H COSY' . . . 52996 1
6 '1D 13C' . . . 52996 1
7 '1D 19F' . . . 52996 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 . . 52996 1
2 $software_2 . . 52996 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 FT6 H H 1 8.289 0.000 . 1 . . . . . 3 FT6 H . 52996 1
2 . 1 . 1 3 3 FT6 HA H 1 4.651 0.000 . 1 . . . . . 3 FT6 HA . 52996 1
3 . 1 . 1 3 3 FT6 HB2 H 1 3.244 0.000 . 2 . . . . . 3 FT6 HB2 . 52996 1
4 . 1 . 1 3 3 FT6 HB3 H 1 3.244 0.000 . 2 . . . . . 3 FT6 HB3 . 52996 1
5 . 1 . 1 3 3 FT6 HD1 H 1 7.241 0.000 . 1 . . . . . 3 FT6 HD1 . 52996 1
6 . 1 . 1 3 3 FT6 HE1 H 1 10.255 0.000 . 1 . . . . . 3 FT6 HE1 . 52996 1
7 . 1 . 1 3 3 FT6 HE3 H 1 7.566 0.000 . 1 . . . . . 3 FT6 HE3 . 52996 1
8 . 1 . 1 3 3 FT6 HZ2 H 1 7.210 0.000 . 1 . . . . . 3 FT6 HZ2 . 52996 1
9 . 1 . 1 3 3 FT6 HZ3 H 1 6.959 0.000 . 1 . . . . . 3 FT6 HZ3 . 52996 1
10 . 1 . 1 3 3 FT6 C C 13 176.120 0.000 . 1 . . . . . 3 FT6 C . 52996 1
11 . 1 . 1 3 3 FT6 CA C 13 57.519 0.000 . 1 . . . . . 3 FT6 CA . 52996 1
12 . 1 . 1 3 3 FT6 CB C 13 29.631 0.000 . 1 . . . . . 3 FT6 CB . 52996 1
13 . 1 . 1 3 3 FT6 CG C 13 111.600 0.000 . 1 . . . . . 3 FT6 CG . 52996 1
14 . 1 . 1 3 3 FT6 CD1 C 13 127.789 0.000 . 1 . . . . . 3 FT6 CD1 . 52996 1
15 . 1 . 1 3 3 FT6 CD2 C 13 126.300 0.000 . 1 . . . . . 3 FT6 CD2 . 52996 1
16 . 1 . 1 3 3 FT6 CE2 C 13 138.800 0.000 . 1 . . . . . 3 FT6 CE2 . 52996 1
17 . 1 . 1 3 3 FT6 CE3 C 13 121.916 0.000 . 1 . . . . . 3 FT6 CE3 . 52996 1
18 . 1 . 1 3 3 FT6 CZ2 C 13 100.567 0.000 . 1 . . . . . 3 FT6 CZ2 . 52996 1
19 . 1 . 1 3 3 FT6 CZ3 C 13 110.732 0.000 . 1 . . . . . 3 FT6 CZ3 . 52996 1
20 . 1 . 1 3 3 FT6 CH2 C 13 119.100 0.000 . 1 . . . . . 3 FT6 CH2 . 52996 1
21 . 1 . 1 3 3 FT6 N N 15 121.720 0.000 . 1 . . . . . 3 FT6 N . 52996 1
22 . 1 . 1 3 3 FT6 NE1 N 15 130.695 0.000 . 1 . . . . . 3 FT6 NE1 . 52996 1
23 . 1 . 1 3 3 FT6 FH2 F 19 -121.450 0.000 . 1 . . . . . 3 FT6 FH2 . 52996 1
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