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 53694
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 20C_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 .
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 HMBC' . . . 53694 1
2 '2D 1H-1H NOESY' . . . 53694 1
3 '2D 1H-31P COSY' . . . 53694 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 . . 53694 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 12.181 0.01 . 1 . . . . . 1 DG H1 . 53694 1
2 . 1 . 1 1 1 DG H1' H 1 5.945 0.01 . 1 . . . . . 1 DG H1' . 53694 1
3 . 1 . 1 1 1 DG H2' H 1 2.891 0.01 . 1 . . . . . 1 DG H2' . 53694 1
4 . 1 . 1 1 1 DG H2'' H 1 2.956 0.01 . 1 . . . . . 1 DG H2'' . 53694 1
5 . 1 . 1 1 1 DG H3' H 1 5.007 0.01 . 1 . . . . . 1 DG H3' . 53694 1
6 . 1 . 1 1 1 DG H4' H 1 4.385 0.01 . 1 . . . . . 1 DG H4' . 53694 1
7 . 1 . 1 1 1 DG H5' H 1 4.027 0.01 . 2 . . . . . 1 DG H5' . 53694 1
8 . 1 . 1 1 1 DG H5'' H 1 3.923 0.01 . 2 . . . . . 1 DG H5'' . 53694 1
9 . 1 . 1 1 1 DG H8 H 1 7.469 0.01 . 1 . . . . . 1 DG H8 . 53694 1
10 . 1 . 1 1 1 DG C5 C 13 116.177 0.20 . 1 . . . . . 1 DG C5 . 53694 1
11 . 1 . 1 2 2 DG H1 H 1 12.054 0.01 . 1 . . . . . 2 DG H1 . 53694 1
12 . 1 . 1 2 2 DG H1' H 1 6.041 0.01 . 1 . . . . . 2 DG H1' . 53694 1
13 . 1 . 1 2 2 DG H2' H 1 2.547 0.01 . 1 . . . . . 2 DG H2' . 53694 1
14 . 1 . 1 2 2 DG H2'' H 1 2.666 0.01 . 1 . . . . . 2 DG H2'' . 53694 1
15 . 1 . 1 2 2 DG H3' H 1 5.047 0.01 . 1 . . . . . 2 DG H3' . 53694 1
16 . 1 . 1 2 2 DG H4' H 1 4.462 0.01 . 1 . . . . . 2 DG H4' . 53694 1
17 . 1 . 1 2 2 DG H8 H 1 7.851 0.01 . 1 . . . . . 2 DG H8 . 53694 1
18 . 1 . 1 2 2 DG C5 C 13 115.123 0.20 . 1 . . . . . 2 DG C5 . 53694 1
19 . 1 . 1 2 2 DG P P 31 -4.130 0.05 . 1 . . . . . 2 DG P . 53694 1
20 . 1 . 1 3 3 DT H1' H 1 5.806 0.01 . 1 . . . . . 3 DT H1' . 53694 1
21 . 1 . 1 3 3 DT H2' H 1 2.059 0.01 . 1 . . . . . 3 DT H2' . 53694 1
22 . 1 . 1 3 3 DT H2'' H 1 2.324 0.01 . 1 . . . . . 3 DT H2'' . 53694 1
23 . 1 . 1 3 3 DT H3' H 1 4.765 0.01 . 1 . . . . . 3 DT H3' . 53694 1
24 . 1 . 1 3 3 DT H4' H 1 4.060 0.01 . 1 . . . . . 3 DT H4' . 53694 1
25 . 1 . 1 3 3 DT H5' H 1 4.396 0.01 . 2 . . . . . 3 DT H5' . 53694 1
26 . 1 . 1 3 3 DT H5'' H 1 4.150 0.01 . 2 . . . . . 3 DT H5'' . 53694 1
27 . 1 . 1 3 3 DT H6 H 1 7.313 0.01 . 1 . . . . . 3 DT H6 . 53694 1
28 . 1 . 1 3 3 DT P P 31 -4.411 0.05 . 1 . . . . . 3 DT P . 53694 1
29 . 1 . 1 4 4 DT H1' H 1 5.898 0.01 . 1 . . . . . 4 DT H1' . 53694 1
30 . 1 . 1 4 4 DT H3' H 1 4.608 0.01 . 1 . . . . . 4 DT H3' . 53694 1
31 . 1 . 1 4 4 DT H4' H 1 3.965 0.01 . 1 . . . . . 4 DT H4' . 53694 1
32 . 1 . 1 4 4 DT H5' H 1 3.897 0.01 . 2 . . . . . 4 DT H5' . 53694 1
33 . 1 . 1 4 4 DT H5'' H 1 3.890 0.01 . 2 . . . . . 4 DT H5'' . 53694 1
34 . 1 . 1 4 4 DT H6 H 1 7.498 0.01 . 1 . . . . . 4 DT H6 . 53694 1
35 . 1 . 1 5 5 DT H3' H 1 4.406 0.01 . 1 . . . . . 5 DT H3' . 53694 1
36 . 1 . 1 5 5 DT H6 H 1 7.363 0.01 . 1 . . . . . 5 DT H6 . 53694 1
37 . 1 . 1 5 5 DT P P 31 -3.954 0.05 . 1 . . . . . 5 DT P . 53694 1
38 . 1 . 1 7 7 DG H1 H 1 11.756 0.01 . 1 . . . . . 7 DG H1 . 53694 1
39 . 1 . 1 7 7 DG H1' H 1 6.077 0.01 . 1 . . . . . 7 DG H1' . 53694 1
40 . 1 . 1 7 7 DG H2' H 1 3.594 0.01 . 1 . . . . . 7 DG H2' . 53694 1
41 . 1 . 1 7 7 DG H2'' H 1 2.998 0.01 . 1 . . . . . 7 DG H2'' . 53694 1
42 . 1 . 1 7 7 DG H3' H 1 4.897 0.01 . 1 . . . . . 7 DG H3' . 53694 1
43 . 1 . 1 7 7 DG H8 H 1 7.531 0.01 . 1 . . . . . 7 DG H8 . 53694 1
44 . 1 . 1 7 7 DG C5 C 13 116.725 0.20 . 1 . . . . . 7 DG C5 . 53694 1
45 . 1 . 1 8 8 DG H1 H 1 11.821 0.01 . 1 . . . . . 8 DG H1 . 53694 1
46 . 1 . 1 8 8 DG H1' H 1 6.151 0.01 . 1 . . . . . 8 DG H1' . 53694 1
47 . 1 . 1 8 8 DG H2' H 1 2.625 0.01 . 1 . . . . . 8 DG H2' . 53694 1
48 . 1 . 1 8 8 DG H2'' H 1 2.695 0.01 . 1 . . . . . 8 DG H2'' . 53694 1
49 . 1 . 1 8 8 DG H3' H 1 5.075 0.01 . 1 . . . . . 8 DG H3' . 53694 1
50 . 1 . 1 8 8 DG H4' H 1 4.408 0.01 . 1 . . . . . 8 DG H4' . 53694 1
51 . 1 . 1 8 8 DG H5' H 1 4.272 0.01 . 2 . . . . . 8 DG H5' . 53694 1
52 . 1 . 1 8 8 DG H5'' H 1 4.226 0.01 . 2 . . . . . 8 DG H5'' . 53694 1
53 . 1 . 1 8 8 DG H8 H 1 8.081 0.01 . 1 . . . . . 8 DG H8 . 53694 1
54 . 1 . 1 8 8 DG C5 C 13 114.573 0.20 . 1 . . . . . 8 DG C5 . 53694 1
55 . 1 . 1 8 8 DG P P 31 -4.411 0.05 . 1 . . . . . 8 DG P . 53694 1
56 . 1 . 1 9 9 DT H1' H 1 6.489 0.01 . 1 . . . . . 9 DT H1' . 53694 1
57 . 1 . 1 9 9 DT H2' H 1 2.530 0.01 . 1 . . . . . 9 DT H2' . 53694 1
58 . 1 . 1 9 9 DT H2'' H 1 2.609 0.01 . 1 . . . . . 9 DT H2'' . 53694 1
59 . 1 . 1 9 9 DT H3' H 1 5.065 0.01 . 1 . . . . . 9 DT H3' . 53694 1
60 . 1 . 1 9 9 DT H4' H 1 4.522 0.01 . 1 . . . . . 9 DT H4' . 53694 1
61 . 1 . 1 9 9 DT H5' H 1 4.262 0.01 . 2 . . . . . 9 DT H5' . 53694 1
62 . 1 . 1 9 9 DT H6 H 1 7.826 0.01 . 1 . . . . . 9 DT H6 . 53694 1
63 . 1 . 1 9 9 DT P P 31 -3.742 0.05 . 1 . . . . . 9 DT P . 53694 1
64 . 1 . 1 10 10 DT H1' H 1 6.446 0.01 . 1 . . . . . 10 DT H1' . 53694 1
65 . 1 . 1 10 10 DT H2' H 1 2.516 0.01 . 1 . . . . . 10 DT H2' . 53694 1
66 . 1 . 1 10 10 DT H2'' H 1 2.672 0.01 . 1 . . . . . 10 DT H2'' . 53694 1
67 . 1 . 1 10 10 DT H3' H 1 4.983 0.01 . 1 . . . . . 10 DT H3' . 53694 1
68 . 1 . 1 10 10 DT H4' H 1 4.461 0.01 . 1 . . . . . 10 DT H4' . 53694 1
69 . 1 . 1 10 10 DT H5' H 1 4.262 0.01 . 2 . . . . . 10 DT H5' . 53694 1
70 . 1 . 1 10 10 DT H5'' H 1 4.207 0.01 . 2 . . . . . 10 DT H5'' . 53694 1
71 . 1 . 1 10 10 DT H6 H 1 7.823 0.01 . 1 . . . . . 10 DT H6 . 53694 1
72 . 1 . 1 10 10 DT P P 31 -4.410 0.05 . 1 . . . . . 10 DT P . 53694 1
73 . 1 . 1 11 11 DT H1' H 1 6.436 0.01 . 1 . . . . . 11 DT H1' . 53694 1
74 . 1 . 1 11 11 DT H2' H 1 2.242 0.01 . 1 . . . . . 11 DT H2' . 53694 1
75 . 1 . 1 11 11 DT H2'' H 1 2.551 0.01 . 1 . . . . . 11 DT H2'' . 53694 1
76 . 1 . 1 11 11 DT H3' H 1 4.946 0.01 . 1 . . . . . 11 DT H3' . 53694 1
77 . 1 . 1 11 11 DT H4' H 1 4.328 0.01 . 1 . . . . . 11 DT H4' . 53694 1
78 . 1 . 1 11 11 DT H5' H 1 4.393 0.01 . 2 . . . . . 11 DT H5' . 53694 1
79 . 1 . 1 11 11 DT H5'' H 1 4.210 0.01 . 2 . . . . . 11 DT H5'' . 53694 1
80 . 1 . 1 11 11 DT H6 H 1 7.434 0.01 . 1 . . . . . 11 DT H6 . 53694 1
81 . 1 . 1 11 11 DT P P 31 -3.896 0.05 . 1 . . . . . 11 DT P . 53694 1
82 . 1 . 1 12 12 DG H1 H 1 11.856 0.01 . 1 . . . . . 12 DG H1 . 53694 1
83 . 1 . 1 12 12 DG H1' H 1 5.927 0.01 . 1 . . . . . 12 DG H1' . 53694 1
84 . 1 . 1 12 12 DG H2' H 1 3.077 0.01 . 1 . . . . . 12 DG H2' . 53694 1
85 . 1 . 1 12 12 DG H2'' H 1 2.781 0.01 . 1 . . . . . 12 DG H2'' . 53694 1
86 . 1 . 1 12 12 DG H3' H 1 4.995 0.01 . 1 . . . . . 12 DG H3' . 53694 1
87 . 1 . 1 12 12 DG H4' H 1 4.419 0.01 . 1 . . . . . 12 DG H4' . 53694 1
88 . 1 . 1 12 12 DG H5' H 1 4.356 0.01 . 2 . . . . . 12 DG H5' . 53694 1
89 . 1 . 1 12 12 DG H5'' H 1 4.246 0.01 . 2 . . . . . 12 DG H5'' . 53694 1
90 . 1 . 1 12 12 DG H8 H 1 7.236 0.01 . 1 . . . . . 12 DG H8 . 53694 1
91 . 1 . 1 12 12 DG C5 C 13 116.656 0.20 . 1 . . . . . 12 DG C5 . 53694 1
92 . 1 . 1 12 12 DG P P 31 -3.123 0.05 . 1 . . . . . 12 DG P . 53694 1
93 . 1 . 1 13 13 DG H1 H 1 11.916 0.01 . 1 . . . . . 13 DG H1 . 53694 1
94 . 1 . 1 13 13 DG H1' H 1 6.043 0.01 . 1 . . . . . 13 DG H1' . 53694 1
95 . 1 . 1 13 13 DG H2' H 1 2.656 0.01 . 1 . . . . . 13 DG H2' . 53694 1
96 . 1 . 1 13 13 DG H3' H 1 5.031 0.01 . 1 . . . . . 13 DG H3' . 53694 1
97 . 1 . 1 13 13 DG H4' H 1 4.493 0.01 . 1 . . . . . 13 DG H4' . 53694 1
98 . 1 . 1 13 13 DG H8 H 1 7.944 0.01 . 1 . . . . . 13 DG H8 . 53694 1
99 . 1 . 1 13 13 DG C5 C 13 114.332 0.20 . 1 . . . . . 13 DG C5 . 53694 1
100 . 1 . 1 13 13 DG P P 31 -3.909 0.05 . 1 . . . . . 13 DG P . 53694 1
101 . 1 . 1 14 14 DT H1' H 1 5.677 0.01 . 1 . . . . . 14 DT H1' . 53694 1
102 . 1 . 1 14 14 DT H2' H 1 1.621 0.01 . 1 . . . . . 14 DT H2' . 53694 1
103 . 1 . 1 14 14 DT H2'' H 1 2.327 0.01 . 1 . . . . . 14 DT H2'' . 53694 1
104 . 1 . 1 14 14 DT H3' H 1 4.647 0.01 . 1 . . . . . 14 DT H3' . 53694 1
105 . 1 . 1 14 14 DT H4' H 1 4.081 0.01 . 1 . . . . . 14 DT H4' . 53694 1
106 . 1 . 1 14 14 DT H5' H 1 4.439 0.01 . 2 . . . . . 14 DT H5' . 53694 1
107 . 1 . 1 14 14 DT H5'' H 1 4.146 0.01 . 2 . . . . . 14 DT H5'' . 53694 1
108 . 1 . 1 14 14 DT H6 H 1 7.101 0.01 . 1 . . . . . 14 DT H6 . 53694 1
109 . 1 . 1 14 14 DT P P 31 -4.769 0.05 . 1 . . . . . 14 DT P . 53694 1
110 . 1 . 1 15 15 DT P P 31 -4.050 0.05 . 1 . . . . . 15 DT P . 53694 1
111 . 1 . 1 18 18 DG H1 H 1 11.930 0.01 . 1 . . . . . 18 DG H1 . 53694 1
112 . 1 . 1 18 18 DG H1' H 1 6.083 0.01 . 1 . . . . . 18 DG H1' . 53694 1
113 . 1 . 1 18 18 DG H2' H 1 3.542 0.01 . 1 . . . . . 18 DG H2' . 53694 1
114 . 1 . 1 18 18 DG H2'' H 1 2.895 0.01 . 1 . . . . . 18 DG H2'' . 53694 1
115 . 1 . 1 18 18 DG H3' H 1 4.925 0.01 . 1 . . . . . 18 DG H3' . 53694 1
116 . 1 . 1 18 18 DG H8 H 1 7.557 0.01 . 1 . . . . . 18 DG H8 . 53694 1
117 . 1 . 1 18 18 DG C5 C 13 116.076 0.20 . 1 . . . . . 18 DG C5 . 53694 1
118 . 1 . 1 19 19 DG H1 H 1 11.913 0.01 . 1 . . . . . 19 DG H1 . 53694 1
119 . 1 . 1 19 19 DG H1' H 1 6.257 0.01 . 1 . . . . . 19 DG H1' . 53694 1
120 . 1 . 1 19 19 DG H2' H 1 2.668 0.01 . 1 . . . . . 19 DG H2' . 53694 1
121 . 1 . 1 19 19 DG H2'' H 1 2.459 0.01 . 1 . . . . . 19 DG H2'' . 53694 1
122 . 1 . 1 19 19 DG H3' H 1 4.790 0.01 . 1 . . . . . 19 DG H3' . 53694 1
123 . 1 . 1 19 19 DG H4' H 1 4.285 0.01 . 1 . . . . . 19 DG H4' . 53694 1
124 . 1 . 1 19 19 DG H5' H 1 4.279 0.01 . 2 . . . . . 19 DG H5' . 53694 1
125 . 1 . 1 19 19 DG H5'' H 1 4.205 0.01 . 2 . . . . . 19 DG H5'' . 53694 1
126 . 1 . 1 19 19 DG H8 H 1 8.134 0.01 . 1 . . . . . 19 DG H8 . 53694 1
127 . 1 . 1 19 19 DG C5 C 13 114.684 0.20 . 1 . . . . . 19 DG C5 . 53694 1
128 . 1 . 1 19 19 DG P P 31 -4.330 0.05 . 1 . . . . . 19 DG P . 53694 1
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save_