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 36022
_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_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 .
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 NOESY' 1 $sample_1 isotropic 36022 1
2 '2D DQF-COSY' 1 $sample_1 isotropic 36022 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 DT H1' H 1 6.15 0.01 . 1 . . . A 1 DT H1' . 36022 1
2 . 1 1 1 1 DT H2' H 1 2.02 0.01 . . . . . A 1 DT H2' . 36022 1
3 . 1 1 1 1 DT H2'' H 1 2.35 0.01 . . . . . A 1 DT H2'' . 36022 1
4 . 1 1 1 1 DT H3 H 1 13.5 0.02 . 1 . . . A 1 DT H3 . 36022 1
5 . 1 1 1 1 DT H3' H 1 4.85 0.01 . 1 . . . A 1 DT H3' . 36022 1
6 . 1 1 1 1 DT H4' H 1 4.36 0.01 . 1 . . . A 1 DT H4' . 36022 1
7 . 1 1 1 1 DT H5' H 1 3.88 0.01 . . . . . A 1 DT H5' . 36022 1
8 . 1 1 1 1 DT H5'' H 1 3.88 0.01 . . . . . A 1 DT H5'' . 36022 1
9 . 1 1 1 1 DT H6 H 1 7.49 0.01 . 1 . . . A 1 DT H6 . 36022 1
10 . 1 1 1 1 DT H71 H 1 1.49 0.01 . 1 . . . A 1 DT H71 . 36022 1
11 . 1 1 1 1 DT H72 H 1 1.49 0.01 . 1 . . . A 1 DT H72 . 36022 1
12 . 1 1 1 1 DT H73 H 1 1.49 0.01 . 1 . . . A 1 DT H73 . 36022 1
13 . 1 1 2 2 DT H1' H 1 6.37 0.01 . 1 . . . A 2 DT H1' . 36022 1
14 . 1 1 2 2 DT H2' H 1 2.05 0.01 . . . . . A 2 DT H2' . 36022 1
15 . 1 1 2 2 DT H2'' H 1 2.41 0.01 . . . . . A 2 DT H2'' . 36022 1
16 . 1 1 2 2 DT H3 H 1 11.1 0.02 . 1 . . . A 2 DT H3 . 36022 1
17 . 1 1 2 2 DT H3' H 1 4.85 0.01 . 1 . . . A 2 DT H3' . 36022 1
18 . 1 1 2 2 DT H4' H 1 4.43 0.01 . 1 . . . A 2 DT H4' . 36022 1
19 . 1 1 2 2 DT H5' H 1 4.11 0.01 . . . . . A 2 DT H5' . 36022 1
20 . 1 1 2 2 DT H5'' H 1 4.28 0.01 . . . . . A 2 DT H5'' . 36022 1
21 . 1 1 2 2 DT H6 H 1 7.90 0.01 . 1 . . . A 2 DT H6 . 36022 1
22 . 1 1 2 2 DT H71 H 1 2.06 0.01 . 1 . . . A 2 DT H71 . 36022 1
23 . 1 1 2 2 DT H72 H 1 2.06 0.01 . 1 . . . A 2 DT H72 . 36022 1
24 . 1 1 2 2 DT H73 H 1 2.06 0.01 . 1 . . . A 2 DT H73 . 36022 1
25 . 1 1 3 3 DT H1' H 1 5.24 0.01 . 1 . . . A 3 DT H1' . 36022 1
26 . 1 1 3 3 DT H2' H 1 1.71 0.01 . . . . . A 3 DT H2' . 36022 1
27 . 1 1 3 3 DT H2'' H 1 2.03 0.01 . . . . . A 3 DT H2'' . 36022 1
28 . 1 1 3 3 DT H3 H 1 11.0 0.02 . 1 . . . A 3 DT H3 . 36022 1
29 . 1 1 3 3 DT H3' H 1 4.60 0.01 . 1 . . . A 3 DT H3' . 36022 1
30 . 1 1 3 3 DT H4' H 1 3.92 0.01 . 1 . . . A 3 DT H4' . 36022 1
31 . 1 1 3 3 DT H5' H 1 3.92 0.01 . . . . . A 3 DT H5' . 36022 1
32 . 1 1 3 3 DT H5'' H 1 3.92 0.01 . . . . . A 3 DT H5'' . 36022 1
33 . 1 1 3 3 DT H6 H 1 7.45 0.01 . 1 . . . A 3 DT H6 . 36022 1
34 . 1 1 3 3 DT H71 H 1 1.41 0.01 . 1 . . . A 3 DT H71 . 36022 1
35 . 1 1 3 3 DT H72 H 1 1.41 0.01 . 1 . . . A 3 DT H72 . 36022 1
36 . 1 1 3 3 DT H73 H 1 1.41 0.01 . 1 . . . A 3 DT H73 . 36022 1
37 . 1 1 4 4 DA H1' H 1 6.47 0.01 . 1 . . . A 4 DA H1' . 36022 1
38 . 1 1 4 4 DA H2 H 1 8.15 0.01 . 1 . . . A 4 DA H2 . 36022 1
39 . 1 1 4 4 DA H2' H 1 3.15 0.01 . . . . . A 4 DA H2' . 36022 1
40 . 1 1 4 4 DA H2'' H 1 3.15 0.01 . . . . . A 4 DA H2'' . 36022 1
41 . 1 1 4 4 DA H3' H 1 4.96 0.01 . 1 . . . A 4 DA H3' . 36022 1
42 . 1 1 4 4 DA H4' H 1 4.47 0.01 . 1 . . . A 4 DA H4' . 36022 1
43 . 1 1 4 4 DA H5' H 1 4.06 0.01 . . . . . A 4 DA H5' . 36022 1
44 . 1 1 4 4 DA H5'' H 1 4.06 0.01 . . . . . A 4 DA H5'' . 36022 1
45 . 1 1 4 4 DA H8 H 1 8.35 0.01 . 1 . . . A 4 DA H8 . 36022 1
46 . 1 1 5 5 DT H1' H 1 6.30 0.01 . 1 . . . A 5 DT H1' . 36022 1
47 . 1 1 5 5 DT H2' H 1 2.14 0.01 . . . . . A 5 DT H2' . 36022 1
48 . 1 1 5 5 DT H2'' H 1 2.47 0.01 . . . . . A 5 DT H2'' . 36022 1
49 . 1 1 5 5 DT H3 H 1 13.5 0.02 . 1 . . . A 5 DT H3 . 36022 1
50 . 1 1 5 5 DT H3' H 1 4.82 0.01 . 1 . . . A 5 DT H3' . 36022 1
51 . 1 1 5 5 DT H4' H 1 4.47 0.01 . 1 . . . A 5 DT H4' . 36022 1
52 . 1 1 5 5 DT H5' H 1 4.10 0.01 . . . . . A 5 DT H5' . 36022 1
53 . 1 1 5 5 DT H5'' H 1 4.38 0.01 . . . . . A 5 DT H5'' . 36022 1
54 . 1 1 5 5 DT H6 H 1 7.42 0.01 . 1 . . . A 5 DT H6 . 36022 1
55 . 1 1 5 5 DT H71 H 1 1.36 0.01 . 1 . . . A 5 DT H71 . 36022 1
56 . 1 1 5 5 DT H72 H 1 1.36 0.01 . 1 . . . A 5 DT H72 . 36022 1
57 . 1 1 5 5 DT H73 H 1 1.36 0.01 . 1 . . . A 5 DT H73 . 36022 1
58 . 1 1 6 6 DT H1' H 1 6.40 0.01 . 1 . . . A 6 DT H1' . 36022 1
59 . 1 1 6 6 DT H2' H 1 2.24 0.01 . . . . . A 6 DT H2' . 36022 1
60 . 1 1 6 6 DT H2'' H 1 2.61 0.01 . . . . . A 6 DT H2'' . 36022 1
61 . 1 1 6 6 DT H3 H 1 11.1 0.02 . 1 . . . A 6 DT H3 . 36022 1
62 . 1 1 6 6 DT H3' H 1 4.81 0.01 . 1 . . . A 6 DT H3' . 36022 1
63 . 1 1 6 6 DT H4' H 1 4.38 0.01 . 1 . . . A 6 DT H4' . 36022 1
64 . 1 1 6 6 DT H5' H 1 4.13 0.01 . . . . . A 6 DT H5' . 36022 1
65 . 1 1 6 6 DT H5'' H 1 4.21 0.01 . . . . . A 6 DT H5'' . 36022 1
66 . 1 1 6 6 DT H6 H 1 7.81 0.01 . 1 . . . A 6 DT H6 . 36022 1
67 . 1 1 6 6 DT H71 H 1 2.00 0.01 . 1 . . . A 6 DT H71 . 36022 1
68 . 1 1 6 6 DT H72 H 1 2.00 0.01 . 1 . . . A 6 DT H72 . 36022 1
69 . 1 1 6 6 DT H73 H 1 2.00 0.01 . 1 . . . A 6 DT H73 . 36022 1
70 . 1 1 7 7 DT H1' H 1 5.59 0.01 . 1 . . . A 7 DT H1' . 36022 1
71 . 1 1 7 7 DT H2' H 1 1.78 0.01 . . . . . A 7 DT H2' . 36022 1
72 . 1 1 7 7 DT H2'' H 1 2.06 0.01 . . . . . A 7 DT H2'' . 36022 1
73 . 1 1 7 7 DT H3 H 1 11.0 0.02 . 1 . . . A 7 DT H3 . 36022 1
74 . 1 1 7 7 DT H3' H 1 4.61 0.01 . 1 . . . A 7 DT H3' . 36022 1
75 . 1 1 7 7 DT H4' H 1 3.94 0.01 . 1 . . . A 7 DT H4' . 36022 1
76 . 1 1 7 7 DT H5' H 1 3.94 0.01 . . . . . A 7 DT H5' . 36022 1
77 . 1 1 7 7 DT H5'' H 1 3.94 0.01 . . . . . A 7 DT H5'' . 36022 1
78 . 1 1 7 7 DT H6 H 1 7.57 0.01 . 1 . . . A 7 DT H6 . 36022 1
79 . 1 1 7 7 DT H71 H 1 1.55 0.01 . 1 . . . A 7 DT H71 . 36022 1
80 . 1 1 7 7 DT H72 H 1 1.55 0.01 . 1 . . . A 7 DT H72 . 36022 1
81 . 1 1 7 7 DT H73 H 1 1.55 0.01 . 1 . . . A 7 DT H73 . 36022 1
82 . 1 1 8 8 DA H1' H 1 6.28 0.01 . 1 . . . A 8 DA H1' . 36022 1
83 . 1 1 8 8 DA H2 H 1 8.17 0.01 . 1 . . . A 8 DA H2 . 36022 1
84 . 1 1 8 8 DA H2' H 1 3.07 0.01 . . . . . A 8 DA H2' . 36022 1
85 . 1 1 8 8 DA H2'' H 1 2.73 0.01 . . . . . A 8 DA H2'' . 36022 1
86 . 1 1 8 8 DA H3' H 1 4.86 0.01 . 1 . . . A 8 DA H3' . 36022 1
87 . 1 1 8 8 DA H4' H 1 4.16 0.01 . 1 . . . A 8 DA H4' . 36022 1
88 . 1 1 8 8 DA H5' H 1 3.80 0.01 . . . . . A 8 DA H5' . 36022 1
89 . 1 1 8 8 DA H5'' H 1 3.98 0.01 . . . . . A 8 DA H5'' . 36022 1
90 . 1 1 8 8 DA H8 H 1 8.23 0.01 . 1 . . . A 8 DA H8 . 36022 1
stop_
save_