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 52497
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 1
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
4 '1D 1H' . . . 52497 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 . . 52497 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 TYR H H 1 7.04 0.02 . 1 . . . . . 2 TYR H . 52497 2
2 . 2 . 1 2 2 TYR HA H 1 4.81 0.02 . 1 . . . . . 2 TYR HA . 52497 2
3 . 2 . 1 2 2 TYR HB2 H 1 2.86 0.02 . 2 . . . . . 2 TYR HB2 . 52497 2
4 . 2 . 1 2 2 TYR HB3 H 1 2.86 0.02 . 2 . . . . . 2 TYR HB3 . 52497 2
5 . 2 . 1 2 2 TYR HD1 H 1 7.04 0.02 . 3 . . . . . 2 TYR HD1 . 52497 2
6 . 2 . 1 2 2 TYR HD2 H 1 7.04 0.02 . 3 . . . . . 2 TYR HD2 . 52497 2
7 . 2 . 1 2 2 TYR HE1 H 1 6.67 0.02 . 3 . . . . . 2 TYR HE1 . 52497 2
8 . 2 . 1 2 2 TYR HE2 H 1 6.67 0.02 . 3 . . . . . 2 TYR HE2 . 52497 2
9 . 2 . 1 2 2 TYR CA C 13 50.4 0.2 . 1 . . . . . 2 TYR CA . 52497 2
10 . 2 . 1 2 2 TYR CB C 13 37.2 0.2 . 1 . . . . . 2 TYR CB . 52497 2
11 . 2 . 1 2 2 TYR CD1 C 13 130.7 0.2 . 3 . . . . . 2 TYR CD1 . 52497 2
12 . 2 . 1 2 2 TYR CD2 C 13 130.7 0.2 . 3 . . . . . 2 TYR CD2 . 52497 2
13 . 2 . 1 2 2 TYR CE1 C 13 114.9 0.2 . 3 . . . . . 2 TYR CE1 . 52497 2
14 . 2 . 1 2 2 TYR CE2 C 13 114.9 0.2 . 3 . . . . . 2 TYR CE2 . 52497 2
15 . 2 . 1 2 2 TYR N N 15 126.3 0.2 . 1 . . . . . 2 TYR N . 52497 2
16 . 2 . 1 3 3 CPI HA H 1 4.54 0.02 . 1 . . . . . 3 CPI HA . 52497 2
17 . 2 . 1 3 3 CPI HB2 H 1 0.62 0.02 . 2 . . . . . 3 CPI HB2 . 52497 2
18 . 2 . 1 3 3 CPI HB3 H 1 1.88 0.02 . 2 . . . . . 3 CPI HB3 . 52497 2
19 . 2 . 1 3 3 CPI HG2 H 1 1.36 0.02 . 2 . . . . . 3 CPI HG2 . 52497 2
20 . 2 . 1 3 3 CPI HG3 H 1 1.47 0.02 . 2 . . . . . 3 CPI HG3 . 52497 2
21 . 2 . 1 3 3 CPI HD2 H 1 1.11 0.02 . 2 . . . . . 3 CPI HD2 . 52497 2
22 . 2 . 1 3 3 CPI HD3 H 1 1.53 0.02 . 2 . . . . . 3 CPI HD3 . 52497 2
23 . 2 . 1 3 3 CPI HE2 H 1 2.41 0.02 . 2 . . . . . 3 CPI HE2 . 52497 2
24 . 2 . 1 3 3 CPI HE3 H 1 4.40 0.02 . 2 . . . . . 3 CPI HE3 . 52497 2
25 . 2 . 1 3 3 CPI CA C 13 56.0 0.2 . 1 . . . . . 3 CPI CA . 52497 2
26 . 2 . 1 3 3 CPI CB C 13 25.6 0.2 . 1 . . . . . 3 CPI CB . 52497 2
27 . 2 . 1 3 3 CPI CG C 13 20.3 0.2 . 1 . . . . . 3 CPI CG . 52497 2
28 . 2 . 1 3 3 CPI CD C 13 24.2 0.2 . 1 . . . . . 3 CPI CD . 52497 2
29 . 2 . 1 3 3 CPI CE C 13 39.7 0.2 . 1 . . . . . 3 CPI CE . 52497 2
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