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 36640
_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 .
_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-1H NOESY' 1 $sample_1 isotropic 36640 1
2 '2D 1H-1H COSY' 1 $sample_1 isotropic 36640 1
3 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36640 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 DA H1' H 1 6.16 0.01 . 1 . . . . A 1 DA H1' . 36640 1
2 . 1 . 1 1 1 DA H2' H 1 2.58 0.01 . 2 . . . . A 1 DA H2' . 36640 1
3 . 1 . 1 1 1 DA H2'' H 1 2.72 0.01 . 2 . . . . A 1 DA H2'' . 36640 1
4 . 1 . 1 1 1 DA H8 H 1 8.07 0.01 . 1 . . . . A 1 DA H8 . 36640 1
5 . 1 . 1 2 2 DT H1' H 1 5.96 0.01 . 1 . . . . A 2 DT H1' . 36640 1
6 . 1 . 1 2 2 DT H2' H 1 2.34 0.01 . 2 . . . . A 2 DT H2' . 36640 1
7 . 1 . 1 2 2 DT H2'' H 1 2.50 0.01 . 2 . . . . A 2 DT H2'' . 36640 1
8 . 1 . 1 2 2 DT H3 H 1 13.78 0.01 . 1 . . . . A 2 DT H3 . 36640 1
9 . 1 . 1 2 2 DT H6 H 1 7.52 0.01 . 1 . . . . A 2 DT H6 . 36640 1
10 . 1 . 1 2 2 DT H71 H 1 1.68 0.01 . 1 . . . . A 2 DT H71 . 36640 1
11 . 1 . 1 2 2 DT H72 H 1 1.68 0.01 . 1 . . . . A 2 DT H72 . 36640 1
12 . 1 . 1 2 2 DT H73 H 1 1.68 0.01 . 1 . . . . A 2 DT H73 . 36640 1
13 . 1 . 1 3 3 DC H1' H 1 5.96 0.01 . 1 . . . . A 3 DC H1' . 36640 1
14 . 1 . 1 3 3 DC H2' H 1 2.13 0.01 . 2 . . . . A 3 DC H2' . 36640 1
15 . 1 . 1 3 3 DC H2'' H 1 2.48 0.01 . 2 . . . . A 3 DC H2'' . 36640 1
16 . 1 . 1 3 3 DC H5 H 1 5.70 0.01 . 1 . . . . A 3 DC H5 . 36640 1
17 . 1 . 1 3 3 DC H6 H 1 7.67 0.01 . 1 . . . . A 3 DC H6 . 36640 1
18 . 1 . 1 3 3 DC H41 H 1 8.44 0.01 . 1 . . . . A 3 DC H41 . 36640 1
19 . 1 . 1 3 3 DC H42 H 1 7.15 0.01 . 1 . . . . A 3 DC H42 . 36640 1
20 . 1 . 1 4 4 DT H1' H 1 5.34 0.01 . 1 . . . . A 4 DT H1' . 36640 1
21 . 1 . 1 4 4 DT H2' H 1 2.13 0.01 . 2 . . . . A 4 DT H2' . 36640 1
22 . 1 . 1 4 4 DT H2'' H 1 2.34 0.01 . 2 . . . . A 4 DT H2'' . 36640 1
23 . 1 . 1 4 4 DT H3 H 1 13.85 0.01 . 1 . . . . A 4 DT H3 . 36640 1
24 . 1 . 1 4 4 DT H6 H 1 7.48 0.01 . 1 . . . . A 4 DT H6 . 36640 1
25 . 1 . 1 4 4 DT H71 H 1 1.69 0.01 . 1 . . . . A 4 DT H71 . 36640 1
26 . 1 . 1 4 4 DT H72 H 1 1.69 0.01 . 1 . . . . A 4 DT H72 . 36640 1
27 . 1 . 1 4 4 DT H73 H 1 1.69 0.01 . 1 . . . . A 4 DT H73 . 36640 1
28 . 1 . 1 5 5 DA H1' H 1 5.19 0.01 . 1 . . . . A 5 DA H1' . 36640 1
29 . 1 . 1 5 5 DA H2 H 1 7.20 0.01 . 1 . . . . A 5 DA H2 . 36640 1
30 . 1 . 1 5 5 DA H8 H 1 8.30 0.01 . 1 . . . . A 5 DA H8 . 36640 1
31 . 1 . 1 6 6 DA H2 H 1 7.58 0.01 . 1 . . . . A 6 DA H2 . 36640 1
32 . 1 . 1 7 7 DC H1' H 1 5.34 0.01 . 1 . . . . A 7 DC H1' . 36640 1
33 . 1 . 1 7 7 DC H5 H 1 5.44 0.01 . 1 . . . . A 7 DC H5 . 36640 1
34 . 1 . 1 7 7 DC H6 H 1 7.41 0.01 . 1 . . . . A 7 DC H6 . 36640 1
35 . 1 . 1 8 8 DT H71 H 1 1.90 0.01 . 1 . . . . A 8 DT H71 . 36640 1
36 . 1 . 1 8 8 DT H72 H 1 1.90 0.01 . 1 . . . . A 8 DT H72 . 36640 1
37 . 1 . 1 8 8 DT H73 H 1 1.90 0.01 . 1 . . . . A 8 DT H73 . 36640 1
38 . 1 . 1 9 9 DG H1 H 1 13.29 0.01 . 1 . . . . A 9 DG H1 . 36640 1
39 . 1 . 1 11 11 DT H6 H 1 7.61 0.01 . 1 . . . . A 11 DT H6 . 36640 1
40 . 1 . 1 11 11 DT H71 H 1 1.92 0.01 . 1 . . . . A 11 DT H71 . 36640 1
41 . 1 . 1 11 11 DT H72 H 1 1.92 0.01 . 1 . . . . A 11 DT H72 . 36640 1
42 . 1 . 1 11 11 DT H73 H 1 1.92 0.01 . 1 . . . . A 11 DT H73 . 36640 1
43 . 1 . 1 21 21 DG H1 H 1 13.47 0.01 . 1 . . . . A 21 DG H1 . 36640 1
44 . 1 . 1 22 22 DG H1 H 1 12.84 0.01 . 1 . . . . A 22 DG H1 . 36640 1
45 . 1 . 1 26 26 DA H1' H 1 5.79 0.01 . 1 . . . . A 26 DA H1' . 36640 1
46 . 1 . 1 26 26 DA H2' H 1 2.44 0.01 . 2 . . . . A 26 DA H2' . 36640 1
47 . 1 . 1 26 26 DA H2'' H 1 2.59 0.01 . 2 . . . . A 26 DA H2'' . 36640 1
48 . 1 . 1 26 26 DA H8 H 1 8.17 0.01 . 1 . . . . A 26 DA H8 . 36640 1
49 . 1 . 1 27 27 DT H1' H 1 5.94 0.01 . 1 . . . . A 27 DT H1' . 36640 1
50 . 1 . 1 27 27 DT H2' H 1 1.87 0.01 . 2 . . . . A 27 DT H2' . 36640 1
51 . 1 . 1 27 27 DT H2'' H 1 2.06 0.01 . 2 . . . . A 27 DT H2'' . 36640 1
52 . 1 . 1 27 27 DT H6 H 1 7.08 0.01 . 1 . . . . A 27 DT H6 . 36640 1
53 . 1 . 1 27 27 DT H71 H 1 1.27 0.01 . 1 . . . . A 27 DT H71 . 36640 1
54 . 1 . 1 27 27 DT H72 H 1 1.27 0.01 . 1 . . . . A 27 DT H72 . 36640 1
55 . 1 . 1 27 27 DT H73 H 1 1.27 0.01 . 1 . . . . A 27 DT H73 . 36640 1
56 . 1 . 1 28 28 DA H1' H 1 6.22 0.01 . 1 . . . . A 28 DA H1' . 36640 1
57 . 1 . 1 28 28 DA H2' H 1 2.79 0.01 . 2 . . . . A 28 DA H2' . 36640 1
58 . 1 . 1 28 28 DA H2'' H 1 2.89 0.01 . 2 . . . . A 28 DA H2'' . 36640 1
59 . 1 . 1 28 28 DA H8 H 1 8.26 0.01 . 1 . . . . A 28 DA H8 . 36640 1
60 . 1 . 1 29 29 DC H1' H 1 6.00 0.01 . 1 . . . . A 29 DC H1' . 36640 1
61 . 1 . 1 29 29 DC H2' H 1 2.13 0.01 . 2 . . . . A 29 DC H2' . 36640 1
62 . 1 . 1 29 29 DC H2'' H 1 2.50 0.01 . 2 . . . . A 29 DC H2'' . 36640 1
63 . 1 . 1 29 29 DC H5 H 1 5.47 0.01 . 1 . . . . A 29 DC H5 . 36640 1
64 . 1 . 1 29 29 DC H6 H 1 7.50 0.01 . 1 . . . . A 29 DC H6 . 36640 1
65 . 1 . 1 30 30 DT H1' H 1 6.04 0.01 . 1 . . . . A 30 DT H1' . 36640 1
66 . 1 . 1 30 30 DT H6 H 1 7.16 0.01 . 1 . . . . A 30 DT H6 . 36640 1
67 . 1 . 1 30 30 DT H71 H 1 1.60 0.01 . 1 . . . . A 30 DT H71 . 36640 1
68 . 1 . 1 30 30 DT H72 H 1 1.60 0.01 . 1 . . . . A 30 DT H72 . 36640 1
69 . 1 . 1 30 30 DT H73 H 1 1.60 0.01 . 1 . . . . A 30 DT H73 . 36640 1
70 . 1 . 1 31 31 DG H1' H 1 5.56 0.01 . 1 . . . . A 31 DG H1' . 36640 1
71 . 1 . 1 31 31 DG H2' H 1 2.36 0.01 . 2 . . . . A 31 DG H2' . 36640 1
72 . 1 . 1 31 31 DG H2'' H 1 2.68 0.01 . 2 . . . . A 31 DG H2'' . 36640 1
73 . 1 . 1 31 31 DG H8 H 1 8.08 0.01 . 1 . . . . A 31 DG H8 . 36640 1
74 . 1 . 1 32 32 DT H1' H 1 5.56 0.01 . 1 . . . . A 32 DT H1' . 36640 1
75 . 1 . 1 32 32 DT H6 H 1 6.69 0.01 . 1 . . . . A 32 DT H6 . 36640 1
76 . 1 . 1 32 32 DT H71 H 1 1.04 0.01 . 1 . . . . A 32 DT H71 . 36640 1
77 . 1 . 1 32 32 DT H72 H 1 1.04 0.01 . 1 . . . . A 32 DT H72 . 36640 1
78 . 1 . 1 32 32 DT H73 H 1 1.04 0.01 . 1 . . . . A 32 DT H73 . 36640 1
79 . 1 . 1 35 35 DG H1 H 1 12.98 0.01 . 1 . . . . A 35 DG H1 . 36640 1
80 . 1 . 1 36 36 DG H1 H 1 13.18 0.01 . 1 . . . . A 36 DG H1 . 36640 1
81 . 1 . 1 36 36 DG H1' H 1 5.99 0.01 . 1 . . . . A 36 DG H1' . 36640 1
82 . 1 . 1 36 36 DG H8 H 1 7.61 0.01 . 1 . . . . A 36 DG H8 . 36640 1
83 . 1 . 1 37 37 DT H1' H 1 6.02 0.01 . 1 . . . . A 37 DT H1' . 36640 1
84 . 1 . 1 37 37 DT H3 H 1 13.57 0.01 . 1 . . . . A 37 DT H3 . 36640 1
85 . 1 . 1 37 37 DT H6 H 1 7.23 0.01 . 1 . . . . A 37 DT H6 . 36640 1
86 . 1 . 1 37 37 DT H71 H 1 1.12 0.01 . 1 . . . . A 37 DT H71 . 36640 1
87 . 1 . 1 37 37 DT H72 H 1 1.12 0.01 . 1 . . . . A 37 DT H72 . 36640 1
88 . 1 . 1 37 37 DT H73 H 1 1.12 0.01 . 1 . . . . A 37 DT H73 . 36640 1
89 . 1 . 1 38 38 DT H1' H 1 5.59 0.01 . 1 . . . . A 38 DT H1' . 36640 1
90 . 1 . 1 38 38 DT H3 H 1 13.98 0.01 . 1 . . . . A 38 DT H3 . 36640 1
91 . 1 . 1 38 38 DT H6 H 1 7.40 0.01 . 1 . . . . A 38 DT H6 . 36640 1
92 . 1 . 1 38 38 DT H71 H 1 1.65 0.01 . 1 . . . . A 38 DT H71 . 36640 1
93 . 1 . 1 38 38 DT H72 H 1 1.65 0.01 . 1 . . . . A 38 DT H72 . 36640 1
94 . 1 . 1 38 38 DT H73 H 1 1.65 0.01 . 1 . . . . A 38 DT H73 . 36640 1
95 . 1 . 1 39 39 DA H1' H 1 5.91 0.01 . 1 . . . . A 39 DA H1' . 36640 1
96 . 1 . 1 39 39 DA H2 H 1 7.40 0.01 . 1 . . . . A 39 DA H2 . 36640 1
97 . 1 . 1 39 39 DA H8 H 1 8.26 0.01 . 1 . . . . A 39 DA H8 . 36640 1
98 . 1 . 1 40 40 DG H1 H 1 12.67 0.01 . 1 . . . . A 40 DG H1 . 36640 1
99 . 1 . 1 40 40 DG H1' H 1 5.43 0.01 . 1 . . . . A 40 DG H1' . 36640 1
100 . 1 . 1 40 40 DG H2' H 1 2.47 0.01 . 2 . . . . A 40 DG H2' . 36640 1
101 . 1 . 1 40 40 DG H2'' H 1 2.61 0.01 . 2 . . . . A 40 DG H2'' . 36640 1
102 . 1 . 1 40 40 DG H8 H 1 7.70 0.01 . 1 . . . . A 40 DG H8 . 36640 1
103 . 1 . 1 41 41 DA H1' H 1 6.37 0.01 . 1 . . . . A 41 DA H1' . 36640 1
104 . 1 . 1 41 41 DA H2' H 1 2.46 0.01 . 2 . . . . A 41 DA H2' . 36640 1
105 . 1 . 1 41 41 DA H2'' H 1 2.68 0.01 . 2 . . . . A 41 DA H2'' . 36640 1
106 . 1 . 1 41 41 DA H8 H 1 8.20 0.01 . 1 . . . . A 41 DA H8 . 36640 1
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