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 52499
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 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 $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 'trans conformer'
_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
10 '1D 1H' . . . 52499 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 . . 52499 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 2 2 ZTR H H 1 7.26 0.02 . 1 . . . . . 2 ZTR H . 52499 1
2 . 1 . 1 2 2 ZTR H6 H 1 7.25 0.02 . 4 . . . . . 2 ZTR H6 . 52499 1
3 . 1 . 1 2 2 ZTR H7 H 1 7.29 0.02 . 4 . . . . . 2 ZTR H7 . 52499 1
4 . 1 . 1 2 2 ZTR H8 H 1 7.29 0.02 . 4 . . . . . 2 ZTR H8 . 52499 1
5 . 1 . 1 2 2 ZTR H21 H 1 4.45 0.02 . 2 . . . . . 2 ZTR H21 . 52499 1
6 . 1 . 1 2 2 ZTR H22 H 1 4.14 0.02 . 2 . . . . . 2 ZTR H22 . 52499 1
7 . 1 . 1 2 2 ZTR H91 H 1 3.69 0.02 . 3 . . . . . 2 ZTR H91 . 52499 1
8 . 1 . 1 2 2 ZTR H92 H 1 3.81 0.02 . 3 . . . . . 2 ZTR H92 . 52499 1
9 . 1 . 1 2 2 ZTR CA C 13 41.3 0.2 . 1 . . . . . 2 ZTR CA . 52499 1
10 . 1 . 1 2 2 ZTR CD C 13 38.5 0.2 . 1 . . . . . 2 ZTR CD . 52499 1
11 . 1 . 1 2 2 ZTR N N 15 122.2 0.2 . 1 . . . . . 2 ZTR N . 52499 1
12 . 1 . 1 3 3 PRO HA H 1 4.29 0.02 . 1 . . . . . 3 PRO HA . 52499 1
13 . 1 . 1 3 3 PRO HB2 H 1 1.97 0.02 . 2 . . . . . 3 PRO HB2 . 52499 1
14 . 1 . 1 3 3 PRO HB3 H 1 2.13 0.02 . 2 . . . . . 3 PRO HB3 . 52499 1
15 . 1 . 1 3 3 PRO HG2 H 1 1.98 0.02 . 2 . . . . . 3 PRO HG2 . 52499 1
16 . 1 . 1 3 3 PRO HG3 H 1 1.98 0.02 . 2 . . . . . 3 PRO HG3 . 52499 1
17 . 1 . 1 3 3 PRO HD2 H 1 3.60 0.02 . 2 . . . . . 3 PRO HD2 . 52499 1
18 . 1 . 1 3 3 PRO HD3 H 1 3.68 0.02 . 2 . . . . . 3 PRO HD3 . 52499 1
19 . 1 . 1 3 3 PRO CA C 13 60.3 0.2 . 1 . . . . . 3 PRO CA . 52499 1
20 . 1 . 1 3 3 PRO CB C 13 29.5 0.2 . 1 . . . . . 3 PRO CB . 52499 1
21 . 1 . 1 3 3 PRO CG C 13 24.5 0.2 . 1 . . . . . 3 PRO CG . 52499 1
22 . 1 . 1 3 3 PRO CD C 13 47.5 0.2 . 1 . . . . . 3 PRO CD . 52499 1
23 . 1 . 1 4 4 NME HN1 H 1 6.03 0.02 . 2 . . . . . 4 NH2 H1 . 52499 1
24 . 1 . 1 4 4 NME HN2 H 1 7.00 0.02 . 2 . . . . . 4 NH2 H2 . 52499 1
25 . 1 . 1 4 4 NME N N 15 101.2 0.2 . 1 . . . . . 4 NH2 N . 52499 1
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