Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 25915
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 .
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-13C HSQC' . . . 25915 1
2 '2D 1H-13C HMBC' . . . 25915 1
4 '2D 1H-1H P.E. COSY' . . . 25915 1
5 '2D 1H-1H NOESY' . . . 25915 1
6 '2D 1H-1H NOESY' . . . 25915 1
stop_
loop_
_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
4 $SPARKY . . 25915 1
stop_
loop_
_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.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 11.54 0.02 . 1 . . . B 1 DG H1 . 25915 1
2 . 1 1 1 1 DG H1' H 1 5.78 0.02 . 1 . . . B 1 DG H1' . 25915 1
3 . 1 1 1 1 DG H2' H 1 3.12 0.02 . 2 . . . B 1 DG H2' . 25915 1
4 . 1 1 1 1 DG H2'' H 1 2.78 0.02 . 2 . . . B 1 DG H2'' . 25915 1
5 . 1 1 1 1 DG H3' H 1 4.92 0.02 . 1 . . . B 1 DG H3' . 25915 1
6 . 1 1 1 1 DG H4' H 1 4.48 0.02 . 1 . . . B 1 DG H4' . 25915 1
7 . 1 1 1 1 DG H5' H 1 3.98 0.02 . 2 . . . B 1 DG H5' . 25915 1
8 . 1 1 1 1 DG H5'' H 1 4.03 0.02 . 2 . . . B 1 DG H5'' . 25915 1
9 . 1 1 1 1 DG H8 H 1 6.88 0.02 . 1 . . . B 1 DG H8 . 25915 1
10 . 1 1 1 1 DG C1' C 13 86.53 0.05 . 1 . . . B 1 DG C1' . 25915 1
11 . 1 1 1 1 DG C2' C 13 34.25 0.05 . 1 . . . B 1 DG C2' . 25915 1
12 . 1 1 1 1 DG C3' C 13 78.50 0.05 . 1 . . . B 1 DG C3' . 25915 1
13 . 1 1 1 1 DG C4' C 13 87.42 0.05 . 1 . . . B 1 DG C4' . 25915 1
14 . 1 1 1 1 DG C5' C 13 62.72 0.05 . 1 . . . B 1 DG C5' . 25915 1
15 . 1 1 1 1 DG C8 C 13 138.01 0.05 . 1 . . . B 1 DG C8 . 25915 1
16 . 1 1 2 2 DG H1 H 1 11.67 0.02 . 1 . . . B 2 DG H1 . 25915 1
17 . 1 1 2 2 DG H1' H 1 5.40 0.02 . 1 . . . B 2 DG H1' . 25915 1
18 . 1 1 2 2 DG H2' H 1 2.67 0.02 . 2 . . . B 2 DG H2' . 25915 1
19 . 1 1 2 2 DG H2'' H 1 2.80 0.02 . 2 . . . B 2 DG H2'' . 25915 1
20 . 1 1 2 2 DG H3' H 1 5.06 0.02 . 1 . . . B 2 DG H3' . 25915 1
21 . 1 1 2 2 DG H4' H 1 4.47 0.02 . 1 . . . B 2 DG H4' . 25915 1
22 . 1 1 2 2 DG H5' H 1 4.14 0.02 . 2 . . . B 2 DG H5' . 25915 1
23 . 1 1 2 2 DG H5'' H 1 4.23 0.02 . 2 . . . B 2 DG H5'' . 25915 1
24 . 1 1 2 2 DG H8 H 1 8.27 0.02 . 1 . . . B 2 DG H8 . 25915 1
25 . 1 1 2 2 DG C1' C 13 80.96 0.05 . 1 . . . B 2 DG C1' . 25915 1
26 . 1 1 2 2 DG C2' C 13 37.01 0.05 . 1 . . . B 2 DG C2' . 25915 1
27 . 1 1 2 2 DG C3' C 13 77.36 0.05 . 1 . . . B 2 DG C3' . 25915 1
28 . 1 1 2 2 DG C4' C 13 84.70 0.05 . 1 . . . B 2 DG C4' . 25915 1
29 . 1 1 2 2 DG C5' C 13 65.69 0.05 . 1 . . . B 2 DG C5' . 25915 1
30 . 1 1 2 2 DG C8 C 13 136.08 0.05 . 1 . . . B 2 DG C8 . 25915 1
31 . 1 1 3 3 AZW C2A C 13 126.50 0.05 . 3 . . . B 3 AZW C2A1 . 25915 1
32 . 1 1 3 3 AZW C6A C 13 126.50 0.05 . 3 . . . B 3 AZW C2A2 . 25915 1
33 . 1 1 3 3 AZW C2B C 13 126.98 0.05 . 3 . . . B 3 AZW C2B1 . 25915 1
34 . 1 1 3 3 AZW C6B C 13 126.98 0.05 . 3 . . . B 3 AZW C2B2 . 25915 1
35 . 1 1 3 3 AZW C3' C 13 66.19 0.05 . 1 . . . B 3 AZW C3' . 25915 1
36 . 1 1 3 3 AZW C3A C 13 122.64 0.05 . 3 . . . B 3 AZW C3A1 . 25915 1
37 . 1 1 3 3 AZW C5A C 13 122.64 0.05 . 3 . . . B 3 AZW C3A2 . 25915 1
38 . 1 1 3 3 AZW C3B C 13 121.67 0.05 . 3 . . . B 3 AZW C3B1 . 25915 1
39 . 1 1 3 3 AZW C5B C 13 121.67 0.05 . 3 . . . B 3 AZW C3B2 . 25915 1
40 . 1 1 3 3 AZW C5' C 13 66.54 0.05 . 1 . . . B 3 AZW C5' . 25915 1
41 . 1 1 3 3 AZW H2A H 1 7.46 0.02 . 3 . . . B 3 AZW H2A1 . 25915 1
42 . 1 1 3 3 AZW H6A H 1 7.46 0.02 . 3 . . . B 3 AZW H2A2 . 25915 1
43 . 1 1 3 3 AZW H2B H 1 7.06 0.02 . 3 . . . B 3 AZW H2B1 . 25915 1
44 . 1 1 3 3 AZW H6B H 1 7.06 0.02 . 3 . . . B 3 AZW H2B2 . 25915 1
45 . 1 1 3 3 AZW H3' H 1 4.97 0.02 . 2 . . . B 3 AZW H3' . 25915 1
46 . 1 1 3 3 AZW H3'' H 1 4.64 0.02 . 2 . . . B 3 AZW H3'' . 25915 1
47 . 1 1 3 3 AZW H3A H 1 7.57 0.02 . 3 . . . B 3 AZW H3A1 . 25915 1
48 . 1 1 3 3 AZW H5A H 1 7.57 0.02 . 3 . . . B 3 AZW H3A2 . 25915 1
49 . 1 1 3 3 AZW H3B H 1 7.24 0.02 . 3 . . . B 3 AZW H3B1 . 25915 1
50 . 1 1 3 3 AZW H5B H 1 7.24 0.02 . 3 . . . B 3 AZW H3B2 . 25915 1
51 . 1 1 3 3 AZW H5' H 1 5.25 0.02 . 2 . . . B 3 AZW H5' . 25915 1
52 . 1 1 3 3 AZW H5'' H 1 5.07 0.02 . 2 . . . B 3 AZW H5'' . 25915 1
53 . 1 1 4 4 DG H1 H 1 11.39 0.02 . 1 . . . B 4 DG H1 . 25915 1
54 . 1 1 4 4 DG H1' H 1 6.00 0.02 . 1 . . . B 4 DG H1' . 25915 1
55 . 1 1 4 4 DG H2' H 1 3.22 0.02 . 2 . . . B 4 DG H2' . 25915 1
56 . 1 1 4 4 DG H2'' H 1 2.73 0.02 . 2 . . . B 4 DG H2'' . 25915 1
57 . 1 1 4 4 DG H3' H 1 4.80 0.02 . 1 . . . B 4 DG H3' . 25915 1
58 . 1 1 4 4 DG H4' H 1 4.51 0.02 . 1 . . . B 4 DG H4' . 25915 1
59 . 1 1 4 4 DG H5' H 1 4.18 0.02 . 2 . . . B 4 DG H5' . 25915 1
60 . 1 1 4 4 DG H5'' H 1 4.73 0.02 . 2 . . . B 4 DG H5'' . 25915 1
61 . 1 1 4 4 DG H8 H 1 7.24 0.02 . 1 . . . B 4 DG H8 . 25915 1
62 . 1 1 4 4 DG C1' C 13 86.75 0.05 . 1 . . . B 4 DG C1' . 25915 1
63 . 1 1 4 4 DG C2' C 13 32.64 0.05 . 1 . . . B 4 DG C2' . 25915 1
64 . 1 1 4 4 DG C3' C 13 77.64 0.05 . 1 . . . B 4 DG C3' . 25915 1
65 . 1 1 4 4 DG C4' C 13 86.20 0.05 . 1 . . . B 4 DG C4' . 25915 1
66 . 1 1 4 4 DG C5' C 13 67.54 0.05 . 1 . . . B 4 DG C5' . 25915 1
67 . 1 1 4 4 DG C8 C 13 139.01 0.05 . 1 . . . B 4 DG C8 . 25915 1
68 . 1 1 5 5 DG H1 H 1 11.43 0.02 . 1 . . . B 5 DG H1 . 25915 1
69 . 1 1 5 5 DG H1' H 1 5.99 0.02 . 1 . . . B 5 DG H1' . 25915 1
70 . 1 1 5 5 DG H2' H 1 2.56 0.02 . 2 . . . B 5 DG H2' . 25915 1
71 . 1 1 5 5 DG H2'' H 1 2.27 0.02 . 2 . . . B 5 DG H2'' . 25915 1
72 . 1 1 5 5 DG H3' H 1 4.78 0.02 . 1 . . . B 5 DG H3' . 25915 1
73 . 1 1 5 5 DG H4' H 1 4.17 0.02 . 1 . . . B 5 DG H4' . 25915 1
74 . 1 1 5 5 DG H5' H 1 4.17 0.02 . 2 . . . B 5 DG H5' . 25915 1
75 . 1 1 5 5 DG H5'' H 1 4.29 0.02 . 2 . . . B 5 DG H5'' . 25915 1
76 . 1 1 5 5 DG H8 H 1 7.44 0.02 . 1 . . . B 5 DG H8 . 25915 1
77 . 1 1 5 5 DG C1' C 13 80.92 0.05 . 1 . . . B 5 DG C1' . 25915 1
78 . 1 1 5 5 DG C2' C 13 38.98 0.05 . 1 . . . B 5 DG C2' . 25915 1
79 . 1 1 5 5 DG C3' C 13 69.36 0.05 . 1 . . . B 5 DG C3' . 25915 1
80 . 1 1 5 5 DG C4' C 13 84.53 0.05 . 1 . . . B 5 DG C4' . 25915 1
81 . 1 1 5 5 DG C5' C 13 63.89 0.05 . 1 . . . B 5 DG C5' . 25915 1
82 . 1 1 5 5 DG C8 C 13 136.13 0.05 . 1 . . . B 5 DG C8 . 25915 1
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save_