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 52997
_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' . . . 52997 1
2 '2D 1H-13C HSQC aliphatic' . . . 52997 1
3 '2D 1H-13C HSQC aromatic' . . . 52997 1
4 '2D 1H-1H TOCSY' . . . 52997 1
5 '2D 1H-1H COSY' . . . 52997 1
6 '1D 13C' . . . 52997 1
7 '1D 19F' . . . 52997 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 . . 52997 1
2 $software_2 . . 52997 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 FTR H H 1 8.278 0.000 . 1 . . . . . 3 FTR H . 52997 1
2 . 1 . 1 3 3 FTR HA H 1 4.644 0.000 . 1 . . . . . 3 FTR HA . 52997 1
3 . 1 . 1 3 3 FTR HB2 H 1 3.236 0.000 . 2 . . . . . 3 FTR HB2 . 52997 1
4 . 1 . 1 3 3 FTR HB3 H 1 3.213 0.000 . 2 . . . . . 3 FTR HB3 . 52997 1
5 . 1 . 1 3 3 FTR HD1 H 1 7.310 0.000 . 1 . . . . . 3 FTR HD1 . 52997 1
6 . 1 . 1 3 3 FTR HE1 H 1 10.288 0.000 . 1 . . . . . 3 FTR HE1 . 52997 1
7 . 1 . 1 3 3 FTR HE3 H 1 7.307 0.000 . 1 . . . . . 3 FTR HE3 . 52997 1
8 . 1 . 1 3 3 FTR HZ2 H 1 7.438 0.000 . 1 . . . . . 3 FTR HZ2 . 52997 1
9 . 1 . 1 3 3 FTR HH2 H 1 7.016 0.000 . 1 . . . . . 3 FTR HH2 . 52997 1
10 . 1 . 1 3 3 FTR C C 13 176.090 0.000 . 1 . . . . . 3 FTR C . 52997 1
11 . 1 . 1 3 3 FTR CA C 13 57.494 0.000 . 1 . . . . . 3 FTR CA . 52997 1
12 . 1 . 1 3 3 FTR CB C 13 29.662 0.004 . 1 . . . . . 3 FTR CB . 52997 1
13 . 1 . 1 3 3 FTR CG C 13 111.600 0.000 . 1 . . . . . 3 FTR CG . 52997 1
14 . 1 . 1 3 3 FTR CD1 C 13 129.342 0.000 . 1 . . . . . 3 FTR CD1 . 52997 1
15 . 1 . 1 3 3 FTR CD2 C 13 129.900 0.000 . 1 . . . . . 3 FTR CD2 . 52997 1
16 . 1 . 1 3 3 FTR CE2 C 13 135.500 0.000 . 1 . . . . . 3 FTR CE2 . 52997 1
17 . 1 . 1 3 3 FTR CE3 C 13 105.652 0.000 . 1 . . . . . 3 FTR CE3 . 52997 1
18 . 1 . 1 3 3 FTR CZ2 C 13 115.503 0.000 . 1 . . . . . 3 FTR CZ2 . 52997 1
19 . 1 . 1 3 3 FTR CZ3 C 13 119.100 0.000 . 1 . . . . . 3 FTR CZ3 . 52997 1
20 . 1 . 1 3 3 FTR CH2 C 13 112.910 0.000 . 1 . . . . . 3 FTR CH2 . 52997 1
21 . 1 . 1 3 3 FTR N N 15 121.625 0.000 . 1 . . . . . 3 FTR N . 52997 1
22 . 1 . 1 3 3 FTR NE1 N 15 129.778 0.000 . 1 . . . . . 3 FTR NE1 . 52997 1
23 . 1 . 1 3 3 FTR FZ3 F 19 -124.660 0.000 . 1 . . . . . 3 FTR FZ3 . 52997 1
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