Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50109
_Assigned_chem_shift_list.ID 1
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.03
_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 overlaps
_Assigned_chem_shift_list.Details 'nonexchangeable protons'
_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 DQF-COSY' . . . 50109 1
2 '2D 1H-1H NOESY' . . . 50109 1
3 '2D 1H-1H TOCSY' . . . 50109 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
1 $software_1 . . 50109 1
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 1 1 DG H1' H 1 6.02 0.03 . 1 . . . . . 1 G H1' . 50109 1
2 . 1 . 1 1 1 DG H2' H 1 2.80 0.03 . 2 . . . . . 1 G H2' . 50109 1
3 . 1 . 1 1 1 DG H2'' H 1 2.69 0.03 . 2 . . . . . 1 G H2'' . 50109 1
4 . 1 . 1 1 1 DG H3' H 1 4.82 0.03 . 1 . . . . . 1 G H3' . 50109 1
5 . 1 . 1 1 1 DG H4' H 1 3.80 0.03 . 1 . . . . . 1 G H4' . 50109 1
6 . 1 . 1 1 1 DG H8 H 1 7.96 0.03 . 1 . . . . . 1 G H8 . 50109 1
7 . 1 . 1 2 2 DT H1' H 1 5.88 0.03 . 1 . . . . . 2 T H1' . 50109 1
8 . 1 . 1 2 2 DT H2' H 1 2.29 0.03 . 2 . . . . . 2 T H2' . 50109 1
9 . 1 . 1 2 2 DT H2'' H 1 2.62 0.03 . 2 . . . . . 2 T H2'' . 50109 1
10 . 1 . 1 2 2 DT H3' H 1 4.94 0.03 . 1 . . . . . 2 T H3' . 50109 1
11 . 1 . 1 2 2 DT H4' H 1 4.23 0.03 . 1 . . . . . 2 T H4' . 50109 1
12 . 1 . 1 2 2 DT H6 H 1 7.47 0.03 . 1 . . . . . 2 T H6 . 50109 1
13 . 1 . 1 2 2 DT H71 H 1 1.43 0.03 . 1 . . . . . 2 T H71 . 50109 1
14 . 1 . 1 2 2 DT H72 H 1 1.43 0.03 . 1 . . . . . 2 T H71 . 50109 1
15 . 1 . 1 2 2 DT H73 H 1 1.43 0.03 . 1 . . . . . 2 T H71 . 50109 1
16 . 1 . 1 3 3 DA H1' H 1 6.31 0.03 . 1 . . . . . 3 A H1' . 50109 1
17 . 1 . 1 3 3 DA H2 H 1 7.43 0.03 . 1 . . . . . 3 A H2 . 50109 1
18 . 1 . 1 3 3 DA H2' H 1 2.71 0.03 . 2 . . . . . 3 A H2' . 50109 1
19 . 1 . 1 3 3 DA H2'' H 1 2.97 0.03 . 2 . . . . . 3 A H2'' . 50109 1
20 . 1 . 1 3 3 DA H3' H 1 5.05 0.03 . 1 . . . . . 3 A H3' . 50109 1
21 . 1 . 1 3 3 DA H4' H 1 4.45 0.03 . 1 . . . . . 3 A H4' . 50109 1
22 . 1 . 1 3 3 DA H8 H 1 8.36 0.03 . 1 . . . . . 3 A H8 . 50109 1
23 . 1 . 1 4 4 DT H1' H 1 5.70 0.03 . 1 . . . . . 4 T H1' . 50109 1
24 . 1 . 1 4 4 DT H2' H 1 1.93 0.03 . 2 . . . . . 4 T H2' . 50109 1
25 . 1 . 1 4 4 DT H2'' H 1 2.35 0.03 . 2 . . . . . 4 T H2'' . 50109 1
26 . 1 . 1 4 4 DT H3' H 1 4.86 0.03 . 1 . . . . . 4 T H3' . 50109 1
27 . 1 . 1 4 4 DT H6 H 1 7.08 0.03 . 1 . . . . . 4 T H6 . 50109 1
28 . 1 . 1 4 4 DT H71 H 1 1.40 0.03 . 1 . . . . . 4 T H71 . 50109 1
29 . 1 . 1 4 4 DT H72 H 1 1.40 0.03 . 1 . . . . . 4 T H71 . 50109 1
30 . 1 . 1 4 4 DT H73 H 1 1.40 0.03 . 1 . . . . . 4 T H71 . 50109 1
31 . 1 . 1 5 5 DG H1' H 1 5.63 0.03 . 1 . . . . . 5 G H1' . 50109 1
32 . 1 . 1 5 5 DG H2' H 1 2.63 0.03 . 2 . . . . . 5 G H2' . 50109 1
33 . 1 . 1 5 5 DG H2'' H 1 2.71 0.03 . 2 . . . . . 5 G H2'' . 50109 1
34 . 1 . 1 5 5 DG H3' H 1 4.97 0.03 . 1 . . . . . 5 G H3' . 50109 1
35 . 1 . 1 5 5 DG H4' H 1 4.05 0.03 . 1 . . . . . 5 G H4' . 50109 1
36 . 1 . 1 5 5 DG H8 H 1 7.78 0.03 . 1 . . . . . 5 G H8 . 50109 1
37 . 1 . 1 6 6 DG H1' H 1 5.86 0.03 . 1 . . . . . 6 G H1' . 50109 1
38 . 1 . 1 6 6 DG H2' H 1 2.54 0.03 . 2 . . . . . 6 G H2' . 50109 1
39 . 1 . 1 6 6 DG H2'' H 1 2.68 0.03 . 2 . . . . . 6 G H2'' . 50109 1
40 . 1 . 1 6 6 DG H3' H 1 4.94 0.03 . 1 . . . . . 6 G H3' . 50109 1
41 . 1 . 1 6 6 DG H4' H 1 4.33 0.03 . 1 . . . . . 6 G H4' . 50109 1
42 . 1 . 1 6 6 DG H8 H 1 7.68 0.03 . 1 . . . . . 6 G H8 . 50109 1
43 . 1 . 1 7 7 DC H1' H 1 5.91 0.03 . 1 . . . . . 7 C H1' . 50109 1
44 . 1 . 1 7 7 DC H2' H 1 2.06 0.03 . 2 . . . . . 7 C H2' . 50109 1
45 . 1 . 1 7 7 DC H2'' H 1 2.46 0.03 . 2 . . . . . 7 C H2'' . 50109 1
46 . 1 . 1 7 7 DC H3' H 1 4.78 0.03 . 1 . . . . . 7 C H3' . 50109 1
47 . 1 . 1 7 7 DC H5 H 1 5.22 0.03 . 1 . . . . . 7 C H5 . 50109 1
48 . 1 . 1 7 7 DC H6 H 1 7.31 0.03 . 1 . . . . . 7 C H6 . 50109 1
49 . 1 . 1 8 8 DC H1' H 1 5.48 0.03 . 1 . . . . . 8 C H1' . 50109 1
50 . 1 . 1 8 8 DC H2' H 1 2.09 0.03 . 2 . . . . . 8 C H2' . 50109 1
51 . 1 . 1 8 8 DC H2'' H 1 2.41 0.03 . 2 . . . . . 8 C H2'' . 50109 1
52 . 1 . 1 8 8 DC H3' H 1 4.82 0.03 . 1 . . . . . 8 C H3' . 50109 1
53 . 1 . 1 8 8 DC H5 H 1 5.56 0.03 . 1 . . . . . 8 C H5 . 50109 1
54 . 1 . 1 8 8 DC H6 H 1 7.46 0.03 . 1 . . . . . 8 C H6 . 50109 1
55 . 1 . 1 9 9 DA H1' H 1 6.24 0.03 . 1 . . . . . 9 A H1' . 50109 1
56 . 1 . 1 9 9 DA H2 H 1 7.60 0.03 . 1 . . . . . 9 A H2 . 50109 1
57 . 1 . 1 9 9 DA H2' H 1 2.69 0.03 . 2 . . . . . 9 A H2' . 50109 1
58 . 1 . 1 9 9 DA H2'' H 1 2.93 0.03 . 2 . . . . . 9 A H2'' . 50109 1
59 . 1 . 1 9 9 DA H3' H 1 5.00 0.03 . 1 . . . . . 9 A H3' . 50109 1
60 . 1 . 1 9 9 DA H8 H 1 8.31 0.03 . 1 . . . . . 9 A H8 . 50109 1
61 . 1 . 1 10 10 DT H1' H 1 5.64 0.03 . 1 . . . . . 10 T H1' . 50109 1
62 . 1 . 1 10 10 DT H2' H 1 2.00 0.03 . 2 . . . . . 10 T H2' . 50109 1
63 . 1 . 1 10 10 DT H2'' H 1 2.38 0.03 . 2 . . . . . 10 T H2'' . 50109 1
64 . 1 . 1 10 10 DT H3' H 1 4.86 0.03 . 1 . . . . . 10 T H3' . 50109 1
65 . 1 . 1 10 10 DT H4' H 1 4.41 0.03 . 1 . . . . . 10 T H4' . 50109 1
66 . 1 . 1 10 10 DT H6 H 1 7.18 0.03 . 1 . . . . . 10 T H6 . 50109 1
67 . 1 . 1 10 10 DT H71 H 1 1.52 0.03 . 1 . . . . . 10 T H71 . 50109 1
68 . 1 . 1 10 10 DT H72 H 1 1.52 0.03 . 1 . . . . . 10 T H71 . 50109 1
69 . 1 . 1 10 10 DT H73 H 1 1.52 0.03 . 1 . . . . . 10 T H71 . 50109 1
70 . 1 . 1 11 11 DA H1' H 1 6.25 0.03 . 1 . . . . . 11 A H1' . 50109 1
71 . 1 . 1 11 11 DA H2 H 1 7.50 0.03 . 1 . . . . . 11 A H2 . 50109 1
72 . 1 . 1 11 11 DA H2' H 1 2.66 0.03 . 2 . . . . . 11 A H2' . 50109 1
73 . 1 . 1 11 11 DA H2'' H 1 2.86 0.03 . 2 . . . . . 11 A H2'' . 50109 1
74 . 1 . 1 11 11 DA H3' H 1 5.00 0.03 . 1 . . . . . 11 A H3' . 50109 1
75 . 1 . 1 11 11 DA H4' H 1 4.26 0.03 . 1 . . . . . 11 A H4' . 50109 1
76 . 1 . 1 11 11 DA H8 H 1 8.25 0.03 . 1 . . . . . 11 A H8 . 50109 1
77 . 1 . 1 12 12 DC H1' H 1 6.07 0.03 . 1 . . . . . 12 C H1' . 50109 1
78 . 1 . 1 12 12 DC H2' H 1 2.08 0.03 . 2 . . . . . 12 C H2' . 50109 1
79 . 1 . 1 12 12 DC H2'' H 1 2.13 0.03 . 2 . . . . . 12 C H2'' . 50109 1
80 . 1 . 1 12 12 DC H3' H 1 4.47 0.03 . 1 . . . . . 12 C H3' . 50109 1
81 . 1 . 1 12 12 DC H4' H 1 4.84 0.03 . 1 . . . . . 12 C H4' . 50109 1
82 . 1 . 1 12 12 DC H5 H 1 5.40 0.03 . 1 . . . . . 12 C H5 . 50109 1
83 . 1 . 1 12 12 DC H6 H 1 7.38 0.03 . 1 . . . . . 12 C H6 . 50109 1
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save_