Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 52499
_Assigned_chem_shift_list.ID 2
_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 'cis 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 2
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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 2
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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 . 2 . 1 2 2 ZTR H H 1 7.47 0.02 . 1 . . . . . 2 ZTR H . 52499 2
2 . 2 . 1 2 2 ZTR H6 H 1 7.18 0.02 . 4 . . . . . 2 ZTR H6 . 52499 2
3 . 2 . 1 2 2 ZTR H7 H 1 7.00 0.02 . 4 . . . . . 2 ZTR H7 . 52499 2
4 . 2 . 1 2 2 ZTR H8 H 1 7.00 0.02 . 4 . . . . . 2 ZTR H8 . 52499 2
5 . 2 . 1 2 2 ZTR H21 H 1 4.26 0.02 . 2 . . . . . 2 ZTR H21 . 52499 2
6 . 2 . 1 2 2 ZTR H22 H 1 4.26 0.02 . 2 . . . . . 2 ZTR H22 . 52499 2
7 . 2 . 1 2 2 ZTR H91 H 1 3.52 0.02 . 3 . . . . . 2 ZTR H91 . 52499 2
8 . 2 . 1 2 2 ZTR H92 H 1 3.66 0.02 . 3 . . . . . 2 ZTR H92 . 52499 2
9 . 2 . 1 2 2 ZTR CA C 13 41.5 0.2 . 1 . . . . . 2 ZTR CA . 52499 2
10 . 2 . 1 2 2 ZTR CD C 13 38.1 0.2 . 1 . . . . . 2 ZTR CD . 52499 2
11 . 2 . 1 2 2 ZTR N N 15 122.1 0.2 . 1 . . . . . 2 ZTR N . 52499 2
12 . 2 . 1 3 3 PRO HA H 1 4.48 0.02 . 1 . . . . . 3 PRO HA . 52499 2
13 . 2 . 1 3 3 PRO HB2 H 1 2.09 0.02 . 2 . . . . . 3 PRO HB2 . 52499 2
14 . 2 . 1 3 3 PRO HB3 H 1 2.30 0.02 . 2 . . . . . 3 PRO HB3 . 52499 2
15 . 2 . 1 3 3 PRO HG2 H 1 1.86 0.02 . 2 . . . . . 3 PRO HG2 . 52499 2
16 . 2 . 1 3 3 PRO HG3 H 1 1.86 0.02 . 2 . . . . . 3 PRO HG3 . 52499 2
17 . 2 . 1 3 3 PRO HD2 H 1 3.52 0.02 . 2 . . . . . 3 PRO HD2 . 52499 2
18 . 2 . 1 3 3 PRO HD3 H 1 3.51 0.02 . 2 . . . . . 3 PRO HD3 . 52499 2
19 . 2 . 1 3 3 PRO CA C 13 60.6 0.2 . 1 . . . . . 3 PRO CA . 52499 2
20 . 2 . 1 3 3 PRO CB C 13 32.0 0.2 . 1 . . . . . 3 PRO CB . 52499 2
21 . 2 . 1 3 3 PRO CG C 13 22.4 0.2 . 1 . . . . . 3 PRO CG . 52499 2
22 . 2 . 1 3 3 PRO CD C 13 46.9 0.2 . 1 . . . . . 3 PRO CD . 52499 2
23 . 2 . 1 4 4 NME HN1 H 1 6.18 0.02 . 2 . . . . . 4 NH2 H1 . 52499 2
24 . 2 . 1 4 4 NME HN2 H 1 6.80 0.02 . 2 . . . . . 4 NH2 H2 . 52499 2
25 . 2 . 1 4 4 NME N N 15 101.3 0.2 . 1 . . . . . 4 NH2 N . 52499 2
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