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 50258
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'assigned shifts'
_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 'These assignments are from a degenerate second population (likely unclipped tag or N-term degradation).'
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_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' . . . 50258 2
2 '3D CBCA(CO)NH' . . . 50258 2
3 '3D HNCO' . . . 50258 2
4 '3D HNCA' . . . 50258 2
5 '3D HNCACB' . . . 50258 2
6 HNCACO . . . 50258 2
stop_
loop_
_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 ASP C C 13 176.571 0.02 . 9 . . . . . 3 ASP C . 50258 2
2 . 1 . 1 3 3 ASP CA C 13 53.966 0.02 . 9 . . . . . 3 ASP CA . 50258 2
3 . 1 . 1 3 3 ASP CB C 13 40.841 0.03 . 9 . . . . . 3 ASP CB . 50258 2
4 . 1 . 1 4 4 ASP H H 1 8.481 0.00 . 9 . . . . . 4 ASP H . 50258 2
5 . 1 . 1 4 4 ASP C C 13 176.454 0.05 . 9 . . . . . 4 ASP C . 50258 2
6 . 1 . 1 4 4 ASP CA C 13 54.758 0.04 . 9 . . . . . 4 ASP CA . 50258 2
7 . 1 . 1 4 4 ASP CB C 13 39.842 0.03 . 9 . . . . . 4 ASP CB . 50258 2
8 . 1 . 1 4 4 ASP N N 15 122.022 0.02 . 9 . . . . . 4 ASP N . 50258 2
9 . 1 . 1 5 5 SER H H 1 8.125 0.01 . 9 . . . . . 5 SER H . 50258 2
10 . 1 . 1 5 5 SER C C 13 175.872 0.00 . 9 . . . . . 5 SER C . 50258 2
11 . 1 . 1 5 5 SER CA C 13 59.793 0.03 . 9 . . . . . 5 SER CA . 50258 2
12 . 1 . 1 5 5 SER CB C 13 62.275 0.00 . 9 . . . . . 5 SER CB . 50258 2
13 . 1 . 1 5 5 SER N N 15 115.237 0.04 . 9 . . . . . 5 SER N . 50258 2
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save_