Content for NMR-STAR saveframe, "assign_chem_shift_list_3"
save_assign_chem_shift_list_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assign_chem_shift_list_3
_Assigned_chem_shift_list.Entry_ID 27876
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name .
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.3
_Assigned_chem_shift_list.Chem_shift_31P_err 0.3
_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 .
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
17 '2D 1H-13C HSQC aromatic' . . . 27876 3
18 '3D 1H-13C NOESY aromatic' . . . 27876 3
19 '3D 1H-13C NOESY aliphatic' . . . 27876 3
20 '2D 1H-13C HSQC aliphatic' . . . 27876 3
21 '2D 1H-13C HSQC aromatic' . . . 27876 3
22 '3D HCCH-COSY' . . . 27876 3
23 '3D H(C)N' . . . 27876 3
stop_
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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 $TOPSPIN . . 27876 3
2 $CARA . . 27876 3
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_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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 2 1 1 C2E C1' C 13 91.238 0.3 . 1 . . . . . 2 RGUA C1' . 27876 3
2 . 2 2 1 1 C2E C2' C 13 76.817 0.3 . 1 . . . . . 2 RGUA C2' . 27876 3
3 . 2 2 1 1 C2E C3' C 13 74.022 0.3 . 1 . . . . . 2 RGUA C3' . 27876 3
4 . 2 2 1 1 C2E C4' C 13 84.078 0.3 . 1 . . . . . 2 RGUA C4' . 27876 3
5 . 2 2 1 1 C2E C5' C 13 66.096 0.3 . 1 . . . . . 2 RGUA C5' . 27876 3
6 . 2 2 1 1 C2E C8 C 13 137.759 0.3 . 1 . . . . . 2 RGUA C8 . 27876 3
7 . 2 2 1 1 C2E H1' H 1 6.211 0.020 . 1 . . . . . 2 RGUA H1' . 27876 3
8 . 2 2 1 1 C2E H2' H 1 4.900 0.020 . 1 . . . . . 2 RGUA H2' . 27876 3
9 . 2 2 1 1 C2E H3' H 1 5.199 0.020 . 1 . . . . . 2 RGUA H3' . 27876 3
10 . 2 2 1 1 C2E H4' H 1 4.485 0.020 . 1 . . . . . 2 RGUA H4' . 27876 3
11 . 2 2 1 1 C2E H8 H 1 7.609 0.020 . 1 . . . . . 2 RGUA H8 . 27876 3
12 . 2 2 1 1 C2E N9 N 15 150.813 0.3 . 1 . . . . . 2 RGUA N9 . 27876 3
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save_