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 53695
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 35C_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' . . . 53695 1
2 '2D 1H-1H NOESY' . . . 53695 1
3 '2D 1H-31P COSY' . . . 53695 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 . . 53695 1
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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 12.140 0.01 . 1 . . . . . 1 DG H1 . 53695 1
2 . 1 . 1 1 1 DG H1' H 1 5.953 0.01 . 1 . . . . . 1 DG H1' . 53695 1
3 . 1 . 1 1 1 DG H2' H 1 2.815 0.01 . 1 . . . . . 1 DG H2' . 53695 1
4 . 1 . 1 1 1 DG H2'' H 1 2.941 0.01 . 1 . . . . . 1 DG H2'' . 53695 1
5 . 1 . 1 1 1 DG H3' H 1 5.002 0.01 . 1 . . . . . 1 DG H3' . 53695 1
6 . 1 . 1 1 1 DG H4' H 1 4.399 0.01 . 1 . . . . . 1 DG H4' . 53695 1
7 . 1 . 1 1 1 DG H5' H 1 4.042 0.01 . 2 . . . . . 1 DG H5' . 53695 1
8 . 1 . 1 1 1 DG H5'' H 1 3.932 0.01 . 2 . . . . . 1 DG H5'' . 53695 1
9 . 1 . 1 1 1 DG H8 H 1 7.438 0.01 . 1 . . . . . 1 DG H8 . 53695 1
10 . 1 . 1 1 1 DG C5 C 13 116.348 0.20 . 1 . . . . . 1 DG C5 . 53695 1
11 . 1 . 1 2 2 DG H1 H 1 12.128 0.01 . 1 . . . . . 2 DG H1 . 53695 1
12 . 1 . 1 2 2 DG H1' H 1 6.051 0.01 . 1 . . . . . 2 DG H1' . 53695 1
13 . 1 . 1 2 2 DG H2' H 1 2.546 0.01 . 1 . . . . . 2 DG H2' . 53695 1
14 . 1 . 1 2 2 DG H2'' H 1 2.659 0.01 . 1 . . . . . 2 DG H2'' . 53695 1
15 . 1 . 1 2 2 DG H3' H 1 5.040 0.01 . 1 . . . . . 2 DG H3' . 53695 1
16 . 1 . 1 2 2 DG H4' H 1 4.470 0.01 . 1 . . . . . 2 DG H4' . 53695 1
17 . 1 . 1 2 2 DG H8 H 1 7.870 0.01 . 1 . . . . . 2 DG H8 . 53695 1
18 . 1 . 1 2 2 DG C5 C 13 115.009 0.20 . 1 . . . . . 2 DG C5 . 53695 1
19 . 1 . 1 2 2 DG P P 31 -4.131 0.05 . 1 . . . . . 2 DG P . 53695 1
20 . 1 . 1 3 3 DT H1' H 1 5.799 0.01 . 1 . . . . . 3 DT H1' . 53695 1
21 . 1 . 1 3 3 DT H2' H 1 2.001 0.01 . 1 . . . . . 3 DT H2' . 53695 1
22 . 1 . 1 3 3 DT H2'' H 1 2.342 0.01 . 1 . . . . . 3 DT H2'' . 53695 1
23 . 1 . 1 3 3 DT H3' H 1 4.745 0.01 . 1 . . . . . 3 DT H3' . 53695 1
24 . 1 . 1 3 3 DT H4' H 1 4.066 0.01 . 1 . . . . . 3 DT H4' . 53695 1
25 . 1 . 1 3 3 DT H5' H 1 4.402 0.01 . 2 . . . . . 3 DT H5' . 53695 1
26 . 1 . 1 3 3 DT H5'' H 1 4.148 0.01 . 2 . . . . . 3 DT H5'' . 53695 1
27 . 1 . 1 3 3 DT H6 H 1 7.295 0.01 . 1 . . . . . 3 DT H6 . 53695 1
28 . 1 . 1 3 3 DT P P 31 -4.457 0.05 . 1 . . . . . 3 DT P . 53695 1
29 . 1 . 1 4 4 DT H1' H 1 5.838 0.01 . 1 . . . . . 4 DT H1' . 53695 1
30 . 1 . 1 4 4 DT H3' H 1 4.625 0.01 . 1 . . . . . 4 DT H3' . 53695 1
31 . 1 . 1 4 4 DT H4' H 1 3.859 0.01 . 1 . . . . . 4 DT H4' . 53695 1
32 . 1 . 1 4 4 DT H5' H 1 3.884 0.01 . 2 . . . . . 4 DT H5' . 53695 1
33 . 1 . 1 4 4 DT H6 H 1 7.485 0.01 . 1 . . . . . 4 DT H6 . 53695 1
34 . 1 . 1 4 4 DT P P 31 -3.648 0.05 . 1 . . . . . 4 DT P . 53695 1
35 . 1 . 1 5 5 DT H3' H 1 4.480 0.01 . 1 . . . . . 5 DT H3' . 53695 1
36 . 1 . 1 5 5 DT H6 H 1 7.339 0.01 . 1 . . . . . 5 DT H6 . 53695 1
37 . 1 . 1 5 5 DT P P 31 -3.740 0.05 . 1 . . . . . 5 DT P . 53695 1
38 . 1 . 1 7 7 DG H1 H 1 11.857 0.01 . 1 . . . . . 7 DG H1 . 53695 1
39 . 1 . 1 7 7 DG H1' H 1 6.061 0.01 . 1 . . . . . 7 DG H1' . 53695 1
40 . 1 . 1 7 7 DG H2' H 1 3.620 0.01 . 1 . . . . . 7 DG H2' . 53695 1
41 . 1 . 1 7 7 DG H2'' H 1 3.019 0.01 . 1 . . . . . 7 DG H2'' . 53695 1
42 . 1 . 1 7 7 DG H3' H 1 4.909 0.01 . 1 . . . . . 7 DG H3' . 53695 1
43 . 1 . 1 7 7 DG H8 H 1 7.519 0.01 . 1 . . . . . 7 DG H8 . 53695 1
44 . 1 . 1 7 7 DG C5 C 13 116.513 0.20 . 1 . . . . . 7 DG C5 . 53695 1
45 . 1 . 1 8 8 DG H1 H 1 11.815 0.01 . 1 . . . . . 8 DG H1 . 53695 1
46 . 1 . 1 8 8 DG H1' H 1 6.221 0.01 . 1 . . . . . 8 DG H1' . 53695 1
47 . 1 . 1 8 8 DG H2' H 1 2.648 0.01 . 1 . . . . . 8 DG H2' . 53695 1
48 . 1 . 1 8 8 DG H2'' H 1 2.531 0.01 . 1 . . . . . 8 DG H2'' . 53695 1
49 . 1 . 1 8 8 DG H3' H 1 5.121 0.01 . 1 . . . . . 8 DG H3' . 53695 1
50 . 1 . 1 8 8 DG H4' H 1 4.556 0.01 . 1 . . . . . 8 DG H4' . 53695 1
51 . 1 . 1 8 8 DG H5' H 1 4.289 0.01 . 2 . . . . . 8 DG H5' . 53695 1
52 . 1 . 1 8 8 DG H8 H 1 8.188 0.01 . 1 . . . . . 8 DG H8 . 53695 1
53 . 1 . 1 8 8 DG C5 C 13 114.668 0.20 . 1 . . . . . 8 DG C5 . 53695 1
54 . 1 . 1 8 8 DG P P 31 -4.393 0.05 . 1 . . . . . 8 DG P . 53695 1
55 . 1 . 1 9 9 DT H1' H 1 6.470 0.01 . 1 . . . . . 9 DT H1' . 53695 1
56 . 1 . 1 9 9 DT H2' H 1 2.458 0.01 . 1 . . . . . 9 DT H2' . 53695 1
57 . 1 . 1 9 9 DT H2'' H 1 2.621 0.01 . 1 . . . . . 9 DT H2'' . 53695 1
58 . 1 . 1 9 9 DT H3' H 1 5.041 0.01 . 1 . . . . . 9 DT H3' . 53695 1
59 . 1 . 1 9 9 DT H4' H 1 4.502 0.01 . 1 . . . . . 9 DT H4' . 53695 1
60 . 1 . 1 9 9 DT H5' H 1 4.297 0.01 . 2 . . . . . 9 DT H5' . 53695 1
61 . 1 . 1 9 9 DT H5'' H 1 4.259 0.01 . 2 . . . . . 9 DT H5'' . 53695 1
62 . 1 . 1 9 9 DT H6 H 1 7.783 0.01 . 1 . . . . . 9 DT H6 . 53695 1
63 . 1 . 1 9 9 DT P P 31 -3.932 0.05 . 1 . . . . . 9 DT P . 53695 1
64 . 1 . 1 10 10 DT H1' H 1 6.565 0.01 . 1 . . . . . 10 DT H1' . 53695 1
65 . 1 . 1 10 10 DT H2' H 1 2.553 0.01 . 1 . . . . . 10 DT H2' . 53695 1
66 . 1 . 1 10 10 DT H2'' H 1 2.697 0.01 . 1 . . . . . 10 DT H2'' . 53695 1
67 . 1 . 1 10 10 DT H3' H 1 5.072 0.01 . 1 . . . . . 10 DT H3' . 53695 1
68 . 1 . 1 10 10 DT H4' H 1 4.556 0.01 . 1 . . . . . 10 DT H4' . 53695 1
69 . 1 . 1 10 10 DT H5' H 1 4.314 0.01 . 2 . . . . . 10 DT H5' . 53695 1
70 . 1 . 1 10 10 DT H5'' H 1 4.286 0.01 . 2 . . . . . 10 DT H5'' . 53695 1
71 . 1 . 1 10 10 DT H6 H 1 7.924 0.01 . 1 . . . . . 10 DT H6 . 53695 1
72 . 1 . 1 10 10 DT P P 31 -3.510 0.05 . 1 . . . . . 10 DT P . 53695 1
73 . 1 . 1 11 11 DG H1 H 1 11.846 0.01 . 1 . . . . . 11 DG H1 . 53695 1
74 . 1 . 1 11 11 DG H1' H 1 5.906 0.01 . 1 . . . . . 11 DG H1' . 53695 1
75 . 1 . 1 11 11 DG H2' H 1 3.049 0.01 . 1 . . . . . 11 DG H2' . 53695 1
76 . 1 . 1 11 11 DG H2'' H 1 2.781 0.01 . 1 . . . . . 11 DG H2'' . 53695 1
77 . 1 . 1 11 11 DG H3' H 1 5.061 0.01 . 1 . . . . . 11 DG H3' . 53695 1
78 . 1 . 1 11 11 DG H5' H 1 4.464 0.01 . 2 . . . . . 11 DG H5' . 53695 1
79 . 1 . 1 11 11 DG H5'' H 1 4.237 0.01 . 2 . . . . . 11 DG H5'' . 53695 1
80 . 1 . 1 11 11 DG H8 H 1 7.251 0.01 . 1 . . . . . 11 DG H8 . 53695 1
81 . 1 . 1 11 11 DG C5 C 13 116.394 0.20 . 1 . . . . . 11 DG C5 . 53695 1
82 . 1 . 1 11 11 DG P P 31 -2.772 0.05 . 1 . . . . . 11 DG P . 53695 1
83 . 1 . 1 12 12 DG H1' H 1 6.070 0.01 . 1 . . . . . 12 DG H1' . 53695 1
84 . 1 . 1 12 12 DG H2' H 1 2.636 0.01 . 1 . . . . . 12 DG H2' . 53695 1
85 . 1 . 1 12 12 DG H2'' H 1 2.659 0.01 . 1 . . . . . 12 DG H2'' . 53695 1
86 . 1 . 1 12 12 DG H3' H 1 5.027 0.01 . 1 . . . . . 12 DG H3' . 53695 1
87 . 1 . 1 12 12 DG H4' H 1 4.494 0.01 . 1 . . . . . 12 DG H4' . 53695 1
88 . 1 . 1 12 12 DG H5' H 1 4.199 0.01 . 2 . . . . . 12 DG H5' . 53695 1
89 . 1 . 1 12 12 DG H8 H 1 7.960 0.01 . 1 . . . . . 12 DG H8 . 53695 1
90 . 1 . 1 12 12 DG C5 C 13 114.660 0.20 . 1 . . . . . 12 DG C5 . 53695 1
91 . 1 . 1 12 12 DG P P 31 -3.952 0.05 . 1 . . . . . 12 DG P . 53695 1
92 . 1 . 1 13 13 DT H1' H 1 5.718 0.01 . 1 . . . . . 13 DT H1' . 53695 1
93 . 1 . 1 13 13 DT H2' H 1 1.643 0.01 . 1 . . . . . 13 DT H2' . 53695 1
94 . 1 . 1 13 13 DT H2'' H 1 2.319 0.01 . 1 . . . . . 13 DT H2'' . 53695 1
95 . 1 . 1 13 13 DT H3' H 1 4.650 0.01 . 1 . . . . . 13 DT H3' . 53695 1
96 . 1 . 1 13 13 DT H4' H 1 4.067 0.01 . 1 . . . . . 13 DT H4' . 53695 1
97 . 1 . 1 13 13 DT H5' H 1 4.435 0.01 . 2 . . . . . 13 DT H5' . 53695 1
98 . 1 . 1 13 13 DT H5'' H 1 4.143 0.01 . 2 . . . . . 13 DT H5'' . 53695 1
99 . 1 . 1 13 13 DT H6 H 1 7.146 0.01 . 1 . . . . . 13 DT H6 . 53695 1
100 . 1 . 1 13 13 DT P P 31 -4.660 0.05 . 1 . . . . . 13 DT P . 53695 1
101 . 1 . 1 17 17 DG H1 H 1 12.030 0.01 . 1 . . . . . 17 DG H1 . 53695 1
102 . 1 . 1 17 17 DG H1' H 1 6.112 0.01 . 1 . . . . . 17 DG H1' . 53695 1
103 . 1 . 1 17 17 DG H2' H 1 3.558 0.01 . 1 . . . . . 17 DG H2' . 53695 1
104 . 1 . 1 17 17 DG H2'' H 1 2.965 0.01 . 1 . . . . . 17 DG H2'' . 53695 1
105 . 1 . 1 17 17 DG H3' H 1 4.938 0.01 . 1 . . . . . 17 DG H3' . 53695 1
106 . 1 . 1 17 17 DG H8 H 1 7.572 0.01 . 1 . . . . . 17 DG H8 . 53695 1
107 . 1 . 1 17 17 DG C5 C 13 116.306 0.20 . 1 . . . . . 17 DG C5 . 53695 1
108 . 1 . 1 18 18 DG H1 H 1 11.928 0.01 . 1 . . . . . 18 DG H1 . 53695 1
109 . 1 . 1 18 18 DG H1' H 1 6.250 0.01 . 1 . . . . . 18 DG H1' . 53695 1
110 . 1 . 1 18 18 DG H2' H 1 2.643 0.01 . 1 . . . . . 18 DG H2' . 53695 1
111 . 1 . 1 18 18 DG H2'' H 1 2.454 0.01 . 1 . . . . . 18 DG H2'' . 53695 1
112 . 1 . 1 18 18 DG H3' H 1 4.792 0.01 . 1 . . . . . 18 DG H3' . 53695 1
113 . 1 . 1 18 18 DG H4' H 1 4.274 0.01 . 1 . . . . . 18 DG H4' . 53695 1
114 . 1 . 1 18 18 DG H5' H 1 4.299 0.01 . 2 . . . . . 18 DG H5' . 53695 1
115 . 1 . 1 18 18 DG H5'' H 1 4.216 0.01 . 2 . . . . . 18 DG H5'' . 53695 1
116 . 1 . 1 18 18 DG H8 H 1 8.128 0.01 . 1 . . . . . 18 DG H8 . 53695 1
117 . 1 . 1 18 18 DG C5 C 13 114.733 0.20 . 1 . . . . . 18 DG C5 . 53695 1
118 . 1 . 1 18 18 DG P P 31 -4.274 0.05 . 1 . . . . . 18 DG P . 53695 1
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