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 53696
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 15C_H2O
_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 .
_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
1 '2D 1H-13C HMBC' . . . 53696 2
2 '2D 1H-1H NOESY' . . . 53696 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 . . 53696 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 . 1 . 1 1 1 DG H1 H 1 12.265 0.01 . 1 . . . . . 1 DG H1 . 53696 2
2 . 1 . 1 1 1 DG H1' H 1 5.953 0.01 . 1 . . . . . 1 DG H1' . 53696 2
3 . 1 . 1 1 1 DG H8 H 1 7.557 0.01 . 1 . . . . . 1 DG H8 . 53696 2
4 . 1 . 1 1 1 DG C5 C 13 115.790 0.20 . 1 . . . . . 1 DG C5 . 53696 2
5 . 1 . 1 2 2 DG H1 H 1 12.234 0.01 . 1 . . . . . 2 DG H1 . 53696 2
6 . 1 . 1 2 2 DG H1' H 1 6.042 0.01 . 1 . . . . . 2 DG H1' . 53696 2
7 . 1 . 1 2 2 DG H8 H 1 7.886 0.01 . 1 . . . . . 2 DG H8 . 53696 2
8 . 1 . 1 2 2 DG C5 C 13 115.127 0.20 . 1 . . . . . 2 DG C5 . 53696 2
9 . 1 . 1 3 3 DT H1' H 1 5.800 0.01 . 1 . . . . . 3 DT H1' . 53696 2
10 . 1 . 1 3 3 DT H6 H 1 7.319 0.01 . 1 . . . . . 3 DT H6 . 53696 2
11 . 1 . 1 4 4 DT H1' H 1 5.903 0.01 . 1 . . . . . 4 DT H1' . 53696 2
12 . 1 . 1 4 4 DT H6 H 1 7.509 0.01 . 1 . . . . . 4 DT H6 . 53696 2
13 . 1 . 1 7 7 DG H1 H 1 11.729 0.01 . 1 . . . . . 7 DG H1 . 53696 2
14 . 1 . 1 7 7 DG H1' H 1 6.135 0.01 . 1 . . . . . 7 DG H1' . 53696 2
15 . 1 . 1 7 7 DG H8 H 1 7.771 0.01 . 1 . . . . . 7 DG H8 . 53696 2
16 . 1 . 1 7 7 DG C5 C 13 115.996 0.20 . 1 . . . . . 7 DG C5 . 53696 2
17 . 1 . 1 8 8 DG H1 H 1 12.082 0.01 . 1 . . . . . 8 DG H1 . 53696 2
18 . 1 . 1 8 8 DG H1' H 1 5.967 0.01 . 1 . . . . . 8 DG H1' . 53696 2
19 . 1 . 1 8 8 DG H8 H 1 7.909 0.01 . 1 . . . . . 8 DG H8 . 53696 2
20 . 1 . 1 8 8 DG C5 C 13 114.532 0.20 . 1 . . . . . 8 DG C5 . 53696 2
21 . 1 . 1 10 10 DG H1 H 1 11.627 0.01 . 1 . . . . . 10 DG H1 . 53696 2
22 . 1 . 1 10 10 DG H1' H 1 5.936 0.01 . 1 . . . . . 10 DG H1' . 53696 2
23 . 1 . 1 10 10 DG H8 H 1 7.153 0.01 . 1 . . . . . 10 DG H8 . 53696 2
24 . 1 . 1 10 10 DG C5 C 13 116.415 0.20 . 1 . . . . . 10 DG C5 . 53696 2
25 . 1 . 1 11 11 DG H1 H 1 11.989 0.01 . 1 . . . . . 11 DG H1 . 53696 2
26 . 1 . 1 11 11 DG H1' H 1 6.116 0.01 . 1 . . . . . 11 DG H1' . 53696 2
27 . 1 . 1 11 11 DG H8 H 1 7.877 0.01 . 1 . . . . . 11 DG H8 . 53696 2
28 . 1 . 1 11 11 DG C5 C 13 114.350 0.20 . 1 . . . . . 11 DG C5 . 53696 2
29 . 1 . 1 12 12 DT H1' H 1 5.774 0.01 . 1 . . . . . 12 DT H1' . 53696 2
30 . 1 . 1 12 12 DT H6 H 1 7.146 0.01 . 1 . . . . . 12 DT H6 . 53696 2
31 . 1 . 1 13 13 DT H1' H 1 5.602 0.01 . 1 . . . . . 13 DT H1' . 53696 2
32 . 1 . 1 13 13 DT H6 H 1 7.335 0.01 . 1 . . . . . 13 DT H6 . 53696 2
33 . 1 . 1 14 14 DT H3 H 1 9.080 0.01 . 1 . . . . . 14 DT H3 . 53696 2
34 . 1 . 1 16 16 DG H1 H 1 12.690 0.01 . 1 . . . . . 16 DG H1 . 53696 2
35 . 1 . 1 16 16 DG H1' H 1 6.136 0.01 . 1 . . . . . 16 DG H1' . 53696 2
36 . 1 . 1 16 16 DG H8 H 1 7.626 0.01 . 1 . . . . . 16 DG H8 . 53696 2
37 . 1 . 1 16 16 DG C5 C 13 116.104 0.20 . 1 . . . . . 16 DG C5 . 53696 2
38 . 1 . 1 17 17 DG H1 H 1 12.008 0.01 . 1 . . . . . 17 DG H1 . 53696 2
39 . 1 . 1 17 17 DG H1' H 1 6.245 0.01 . 1 . . . . . 17 DG H1' . 53696 2
40 . 1 . 1 17 17 DG H8 H 1 8.101 0.01 . 1 . . . . . 17 DG H8 . 53696 2
41 . 1 . 1 17 17 DG C5 C 13 114.424 0.20 . 1 . . . . . 17 DG C5 . 53696 2
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