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 53686
_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' . . . 53686 1
2 '2D 1H-1H NOESY' . . . 53686 1
3 '2D 1H-31P COSY' . . . 53686 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 . . 53686 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 12.155 0.01 . 1 . . . . . 1 DG H1 . 53686 1
2 . 1 . 1 1 1 DG H1' H 1 6.081 0.01 . 1 . . . . . 1 DG H1' . 53686 1
3 . 1 . 1 1 1 DG H2' H 1 2.738 0.01 . 1 . . . . . 1 DG H2' . 53686 1
4 . 1 . 1 1 1 DG H2'' H 1 2.989 0.01 . 1 . . . . . 1 DG H2'' . 53686 1
5 . 1 . 1 1 1 DG H3' H 1 5.034 0.01 . 1 . . . . . 1 DG H3' . 53686 1
6 . 1 . 1 1 1 DG H4' H 1 4.416 0.01 . 1 . . . . . 1 DG H4' . 53686 1
7 . 1 . 1 1 1 DG H5' H 1 3.979 0.01 . 2 . . . . . 1 DG H5' . 53686 1
8 . 1 . 1 1 1 DG H5'' H 1 3.979 0.01 . 2 . . . . . 1 DG H5'' . 53686 1
9 . 1 . 1 1 1 DG H8 H 1 7.434 0.01 . 1 . . . . . 1 DG H8 . 53686 1
10 . 1 . 1 1 1 DG C5 C 13 117.080 0.20 . 1 . . . . . 1 DG C5 . 53686 1
11 . 1 . 1 2 2 DG H1 H 1 12.122 0.01 . 1 . . . . . 2 DG H1 . 53686 1
12 . 1 . 1 2 2 DG H1' H 1 5.975 0.01 . 1 . . . . . 2 DG H1' . 53686 1
13 . 1 . 1 2 2 DG H2' H 1 2.785 0.01 . 1 . . . . . 2 DG H2' . 53686 1
14 . 1 . 1 2 2 DG H2'' H 1 2.342 0.01 . 1 . . . . . 2 DG H2'' . 53686 1
15 . 1 . 1 2 2 DG H3' H 1 5.220 0.01 . 1 . . . . . 2 DG H3' . 53686 1
16 . 1 . 1 2 2 DG H4' H 1 4.478 0.01 . 1 . . . . . 2 DG H4' . 53686 1
17 . 1 . 1 2 2 DG H5' H 1 4.269 0.01 . 2 . . . . . 2 DG H5' . 53686 1
18 . 1 . 1 2 2 DG H8 H 1 8.118 0.01 . 1 . . . . . 2 DG H8 . 53686 1
19 . 1 . 1 2 2 DG C5 C 13 115.072 0.20 . 1 . . . . . 2 DG C5 . 53686 1
20 . 1 . 1 2 2 DG P P 31 -4.353 0.05 . 1 . . . . . 2 DG P . 53686 1
21 . 1 . 1 3 3 DT H1' H 1 6.356 0.01 . 1 . . . . . 3 DT H1' . 53686 1
22 . 1 . 1 3 3 DT H2' H 1 2.104 0.01 . 1 . . . . . 3 DT H2' . 53686 1
23 . 1 . 1 3 3 DT H2'' H 1 2.408 0.01 . 1 . . . . . 3 DT H2'' . 53686 1
24 . 1 . 1 3 3 DT H3' H 1 4.928 0.01 . 1 . . . . . 3 DT H3' . 53686 1
25 . 1 . 1 3 3 DT H4' H 1 4.497 0.01 . 1 . . . . . 3 DT H4' . 53686 1
26 . 1 . 1 3 3 DT H5' H 1 4.266 0.01 . 2 . . . . . 3 DT H5' . 53686 1
27 . 1 . 1 3 3 DT H5'' H 1 4.160 0.01 . 2 . . . . . 3 DT H5'' . 53686 1
28 . 1 . 1 3 3 DT H6 H 1 7.974 0.01 . 1 . . . . . 3 DT H6 . 53686 1
29 . 1 . 1 3 3 DT H71 H 1 2.130 0.01 . 3 . . . . . 3 DT H71 . 53686 1
30 . 1 . 1 3 3 DT H72 H 1 2.130 0.01 . 3 . . . . . 3 DT H72 . 53686 1
31 . 1 . 1 3 3 DT H73 H 1 2.130 0.01 . 3 . . . . . 3 DT H73 . 53686 1
32 . 1 . 1 3 3 DT P P 31 -3.193 0.05 . 1 . . . . . 3 DT P . 53686 1
33 . 1 . 1 4 4 DT H1' H 1 6.051 0.01 . 1 . . . . . 4 DT H1' . 53686 1
34 . 1 . 1 4 4 DT H2' H 1 1.870 0.01 . 1 . . . . . 4 DT H2' . 53686 1
35 . 1 . 1 4 4 DT H2'' H 1 2.337 0.01 . 1 . . . . . 4 DT H2'' . 53686 1
36 . 1 . 1 4 4 DT H3' H 1 4.835 0.01 . 1 . . . . . 4 DT H3' . 53686 1
37 . 1 . 1 4 4 DT H4' H 1 4.308 0.01 . 1 . . . . . 4 DT H4' . 53686 1
38 . 1 . 1 4 4 DT H5' H 1 4.076 0.01 . 2 . . . . . 4 DT H5' . 53686 1
39 . 1 . 1 4 4 DT H6 H 1 7.558 0.01 . 1 . . . . . 4 DT H6 . 53686 1
40 . 1 . 1 4 4 DT H71 H 1 1.745 0.01 . 3 . . . . . 4 DT H71 . 53686 1
41 . 1 . 1 4 4 DT H72 H 1 1.745 0.01 . 3 . . . . . 4 DT H72 . 53686 1
42 . 1 . 1 4 4 DT H73 H 1 1.745 0.01 . 3 . . . . . 4 DT H73 . 53686 1
43 . 1 . 1 4 4 DT P P 31 -4.029 0.05 . 1 . . . . . 4 DT P . 53686 1
44 . 1 . 1 5 5 DT H1' H 1 6.070 0.01 . 1 . . . . . 5 DT H1' . 53686 1
45 . 1 . 1 5 5 DT H2' H 1 2.385 0.01 . 1 . . . . . 5 DT H2' . 53686 1
46 . 1 . 1 5 5 DT H2'' H 1 2.528 0.01 . 1 . . . . . 5 DT H2'' . 53686 1
47 . 1 . 1 5 5 DT H3' H 1 4.944 0.01 . 1 . . . . . 5 DT H3' . 53686 1
48 . 1 . 1 5 5 DT H4' H 1 4.232 0.01 . 1 . . . . . 5 DT H4' . 53686 1
49 . 1 . 1 5 5 DT H5' H 1 4.064 0.01 . 2 . . . . . 5 DT H5' . 53686 1
50 . 1 . 1 5 5 DT H5'' H 1 3.970 0.01 . 2 . . . . . 5 DT H5'' . 53686 1
51 . 1 . 1 5 5 DT H6 H 1 7.330 0.01 . 1 . . . . . 5 DT H6 . 53686 1
52 . 1 . 1 5 5 DT H71 H 1 1.228 0.01 . 3 . . . . . 5 DT H71 . 53686 1
53 . 1 . 1 5 5 DT H72 H 1 1.228 0.01 . 3 . . . . . 5 DT H72 . 53686 1
54 . 1 . 1 5 5 DT H73 H 1 1.228 0.01 . 3 . . . . . 5 DT H73 . 53686 1
55 . 1 . 1 5 5 DT P P 31 -4.076 0.05 . 1 . . . . . 5 DT P . 53686 1
56 . 1 . 1 6 6 DG H1 H 1 12.263 0.01 . 1 . . . . . 6 DG H1 . 53686 1
57 . 1 . 1 6 6 DG H1' H 1 6.051 0.01 . 1 . . . . . 6 DG H1' . 53686 1
58 . 1 . 1 6 6 DG H2' H 1 3.398 0.01 . 1 . . . . . 6 DG H2' . 53686 1
59 . 1 . 1 6 6 DG H2'' H 1 2.864 0.01 . 1 . . . . . 6 DG H2'' . 53686 1
60 . 1 . 1 6 6 DG H3' H 1 4.953 0.01 . 1 . . . . . 6 DG H3' . 53686 1
61 . 1 . 1 6 6 DG H4' H 1 4.458 0.01 . 1 . . . . . 6 DG H4' . 53686 1
62 . 1 . 1 6 6 DG H5' H 1 4.374 0.01 . 2 . . . . . 6 DG H5' . 53686 1
63 . 1 . 1 6 6 DG H8 H 1 7.504 0.01 . 1 . . . . . 6 DG H8 . 53686 1
64 . 1 . 1 6 6 DG C5 C 13 116.693 0.20 . 1 . . . . . 6 DG C5 . 53686 1
65 . 1 . 1 6 6 DG P P 31 -3.189 0.05 . 1 . . . . . 6 DG P . 53686 1
66 . 1 . 1 7 7 DG H1 H 1 12.234 0.01 . 1 . . . . . 7 DG H1 . 53686 1
67 . 1 . 1 7 7 DG H1' H 1 6.065 0.01 . 1 . . . . . 7 DG H1' . 53686 1
68 . 1 . 1 7 7 DG H2' H 1 2.681 0.01 . 1 . . . . . 7 DG H2' . 53686 1
69 . 1 . 1 7 7 DG H2'' H 1 2.359 0.01 . 1 . . . . . 7 DG H2'' . 53686 1
70 . 1 . 1 7 7 DG H3' H 1 5.088 0.01 . 1 . . . . . 7 DG H3' . 53686 1
71 . 1 . 1 7 7 DG H4' H 1 4.508 0.01 . 1 . . . . . 7 DG H4' . 53686 1
72 . 1 . 1 7 7 DG H5' H 1 4.300 0.01 . 2 . . . . . 7 DG H5' . 53686 1
73 . 1 . 1 7 7 DG H5'' H 1 4.244 0.01 . 2 . . . . . 7 DG H5'' . 53686 1
74 . 1 . 1 7 7 DG H8 H 1 7.922 0.01 . 1 . . . . . 7 DG H8 . 53686 1
75 . 1 . 1 7 7 DG C5 C 13 115.261 0.20 . 1 . . . . . 7 DG C5 . 53686 1
76 . 1 . 1 7 7 DG P P 31 -4.444 0.05 . 1 . . . . . 7 DG P . 53686 1
77 . 1 . 1 8 8 DT H1' H 1 6.462 0.01 . 1 . . . . . 8 DT H1' . 53686 1
78 . 1 . 1 8 8 DT H2' H 1 2.527 0.01 . 1 . . . . . 8 DT H2' . 53686 1
79 . 1 . 1 8 8 DT H2'' H 1 2.628 0.01 . 1 . . . . . 8 DT H2'' . 53686 1
80 . 1 . 1 8 8 DT H3' H 1 4.795 0.01 . 1 . . . . . 8 DT H3' . 53686 1
81 . 1 . 1 8 8 DT H4' H 1 4.392 0.01 . 1 . . . . . 8 DT H4' . 53686 1
82 . 1 . 1 8 8 DT H5' H 1 4.236 0.01 . 2 . . . . . 8 DT H5' . 53686 1
83 . 1 . 1 8 8 DT H6 H 1 7.875 0.01 . 1 . . . . . 8 DT H6 . 53686 1
84 . 1 . 1 8 8 DT H71 H 1 1.978 0.01 . 3 . . . . . 8 DT H71 . 53686 1
85 . 1 . 1 8 8 DT H72 H 1 1.978 0.01 . 3 . . . . . 8 DT H72 . 53686 1
86 . 1 . 1 8 8 DT H73 H 1 1.978 0.01 . 3 . . . . . 8 DT H73 . 53686 1
87 . 1 . 1 8 8 DT P P 31 -3.458 0.05 . 1 . . . . . 8 DT P . 53686 1
88 . 1 . 1 9 9 DT H1' H 1 5.827 0.01 . 1 . . . . . 9 DT H1' . 53686 1
89 . 1 . 1 9 9 DT H2'' H 1 2.100 0.01 . 1 . . . . . 9 DT H2'' . 53686 1
90 . 1 . 1 9 9 DT H3' H 1 4.646 0.01 . 1 . . . . . 9 DT H3' . 53686 1
91 . 1 . 1 9 9 DT H4' H 1 3.757 0.01 . 1 . . . . . 9 DT H4' . 53686 1
92 . 1 . 1 9 9 DT H5' H 1 4.064 0.01 . 2 . . . . . 9 DT H5' . 53686 1
93 . 1 . 1 9 9 DT H5'' H 1 3.969 0.01 . 2 . . . . . 9 DT H5'' . 53686 1
94 . 1 . 1 9 9 DT H6 H 1 7.214 0.01 . 1 . . . . . 9 DT H6 . 53686 1
95 . 1 . 1 9 9 DT H71 H 1 1.812 0.01 . 3 . . . . . 9 DT H71 . 53686 1
96 . 1 . 1 9 9 DT H72 H 1 1.812 0.01 . 3 . . . . . 9 DT H72 . 53686 1
97 . 1 . 1 9 9 DT H73 H 1 1.812 0.01 . 3 . . . . . 9 DT H73 . 53686 1
98 . 1 . 1 9 9 DT P P 31 -4.181 0.05 . 1 . . . . . 9 DT P . 53686 1
99 . 1 . 1 10 10 DT H1' H 1 5.695 0.01 . 1 . . . . . 10 DT H1' . 53686 1
100 . 1 . 1 10 10 DT H2' H 1 2.021 0.01 . 1 . . . . . 10 DT H2' . 53686 1
101 . 1 . 1 10 10 DT H2'' H 1 2.519 0.01 . 1 . . . . . 10 DT H2'' . 53686 1
102 . 1 . 1 10 10 DT H3' H 1 4.640 0.01 . 1 . . . . . 10 DT H3' . 53686 1
103 . 1 . 1 10 10 DT H4' H 1 3.929 0.01 . 1 . . . . . 10 DT H4' . 53686 1
104 . 1 . 1 10 10 DT H5' H 1 3.545 0.01 . 2 . . . . . 10 DT H5' . 53686 1
105 . 1 . 1 10 10 DT H5'' H 1 2.948 0.01 . 2 . . . . . 10 DT H5'' . 53686 1
106 . 1 . 1 10 10 DT H6 H 1 7.219 0.01 . 1 . . . . . 10 DT H6 . 53686 1
107 . 1 . 1 10 10 DT H71 H 1 1.781 0.01 . 3 . . . . . 10 DT H71 . 53686 1
108 . 1 . 1 10 10 DT H72 H 1 1.781 0.01 . 3 . . . . . 10 DT H72 . 53686 1
109 . 1 . 1 10 10 DT H73 H 1 1.781 0.01 . 3 . . . . . 10 DT H73 . 53686 1
110 . 1 . 1 10 10 DT P P 31 -3.982 0.05 . 1 . . . . . 10 DT P . 53686 1
111 . 1 . 1 11 11 DG H1 H 1 11.936 0.01 . 1 . . . . . 11 DG H1 . 53686 1
112 . 1 . 1 11 11 DG H1' H 1 6.083 0.01 . 1 . . . . . 11 DG H1' . 53686 1
113 . 1 . 1 11 11 DG H2' H 1 3.716 0.01 . 1 . . . . . 11 DG H2' . 53686 1
114 . 1 . 1 11 11 DG H2'' H 1 2.919 0.01 . 1 . . . . . 11 DG H2'' . 53686 1
115 . 1 . 1 11 11 DG H3' H 1 4.902 0.01 . 1 . . . . . 11 DG H3' . 53686 1
116 . 1 . 1 11 11 DG H4' H 1 4.453 0.01 . 1 . . . . . 11 DG H4' . 53686 1
117 . 1 . 1 11 11 DG H5' H 1 4.326 0.01 . 2 . . . . . 11 DG H5' . 53686 1
118 . 1 . 1 11 11 DG H5'' H 1 4.176 0.01 . 2 . . . . . 11 DG H5'' . 53686 1
119 . 1 . 1 11 11 DG H8 H 1 7.408 0.01 . 1 . . . . . 11 DG H8 . 53686 1
120 . 1 . 1 11 11 DG C5 C 13 116.364 0.20 . 1 . . . . . 11 DG C5 . 53686 1
121 . 1 . 1 11 11 DG P P 31 -4.696 0.05 . 1 . . . . . 11 DG P . 53686 1
122 . 1 . 1 12 12 DG H1 H 1 12.042 0.01 . 1 . . . . . 12 DG H1 . 53686 1
123 . 1 . 1 12 12 DG H1' H 1 5.994 0.01 . 1 . . . . . 12 DG H1' . 53686 1
124 . 1 . 1 12 12 DG H2' H 1 2.577 0.01 . 1 . . . . . 12 DG H2' . 53686 1
125 . 1 . 1 12 12 DG H2'' H 1 2.390 0.01 . 1 . . . . . 12 DG H2'' . 53686 1
126 . 1 . 1 12 12 DG H3' H 1 5.077 0.01 . 1 . . . . . 12 DG H3' . 53686 1
127 . 1 . 1 12 12 DG H4' H 1 4.503 0.01 . 1 . . . . . 12 DG H4' . 53686 1
128 . 1 . 1 12 12 DG H5' H 1 4.312 0.01 . 2 . . . . . 12 DG H5' . 53686 1
129 . 1 . 1 12 12 DG H5'' H 1 4.253 0.01 . 2 . . . . . 12 DG H5'' . 53686 1
130 . 1 . 1 12 12 DG H8 H 1 8.102 0.01 . 1 . . . . . 12 DG H8 . 53686 1
131 . 1 . 1 12 12 DG C5 C 13 114.924 0.20 . 1 . . . . . 12 DG C5 . 53686 1
132 . 1 . 1 12 12 DG P P 31 -4.516 0.05 . 1 . . . . . 12 DG P . 53686 1
133 . 1 . 1 13 13 DT H1' H 1 6.316 0.01 . 1 . . . . . 13 DT H1' . 53686 1
134 . 1 . 1 13 13 DT H2' H 1 2.319 0.01 . 1 . . . . . 13 DT H2' . 53686 1
135 . 1 . 1 13 13 DT H2'' H 1 2.506 0.01 . 1 . . . . . 13 DT H2'' . 53686 1
136 . 1 . 1 13 13 DT H3' H 1 4.914 0.01 . 1 . . . . . 13 DT H3' . 53686 1
137 . 1 . 1 13 13 DT H4' H 1 4.425 0.01 . 1 . . . . . 13 DT H4' . 53686 1
138 . 1 . 1 13 13 DT H5' H 1 4.226 0.01 . 2 . . . . . 13 DT H5' . 53686 1
139 . 1 . 1 13 13 DT H5'' H 1 4.179 0.01 . 2 . . . . . 13 DT H5'' . 53686 1
140 . 1 . 1 13 13 DT H6 H 1 7.861 0.01 . 1 . . . . . 13 DT H6 . 53686 1
141 . 1 . 1 13 13 DT H71 H 1 2.029 0.01 . 3 . . . . . 13 DT H71 . 53686 1
142 . 1 . 1 13 13 DT H72 H 1 2.029 0.01 . 3 . . . . . 13 DT H72 . 53686 1
143 . 1 . 1 13 13 DT H73 H 1 2.029 0.01 . 3 . . . . . 13 DT H73 . 53686 1
144 . 1 . 1 13 13 DT P P 31 -3.600 0.05 . 1 . . . . . 13 DT P . 53686 1
145 . 1 . 1 14 14 DT H1' H 1 6.259 0.01 . 1 . . . . . 14 DT H1' . 53686 1
146 . 1 . 1 14 14 DT H2' H 1 2.240 0.01 . 1 . . . . . 14 DT H2' . 53686 1
147 . 1 . 1 14 14 DT H2'' H 1 2.390 0.01 . 1 . . . . . 14 DT H2'' . 53686 1
148 . 1 . 1 14 14 DT H3' H 1 4.824 0.01 . 1 . . . . . 14 DT H3' . 53686 1
149 . 1 . 1 14 14 DT H4' H 1 4.340 0.01 . 1 . . . . . 14 DT H4' . 53686 1
150 . 1 . 1 14 14 DT H5' H 1 4.128 0.01 . 2 . . . . . 14 DT H5' . 53686 1
151 . 1 . 1 14 14 DT H6 H 1 7.712 0.01 . 1 . . . . . 14 DT H6 . 53686 1
152 . 1 . 1 14 14 DT H71 H 1 1.912 0.01 . 3 . . . . . 14 DT H71 . 53686 1
153 . 1 . 1 14 14 DT H72 H 1 1.912 0.01 . 3 . . . . . 14 DT H72 . 53686 1
154 . 1 . 1 14 14 DT H73 H 1 1.912 0.01 . 3 . . . . . 14 DT H73 . 53686 1
155 . 1 . 1 14 14 DT P P 31 -3.903 0.05 . 1 . . . . . 14 DT P . 53686 1
156 . 1 . 1 15 15 DT H1' H 1 6.042 0.01 . 1 . . . . . 15 DT H1' . 53686 1
157 . 1 . 1 15 15 DT H2' H 1 1.965 0.01 . 1 . . . . . 15 DT H2' . 53686 1
158 . 1 . 1 15 15 DT H2'' H 1 2.388 0.01 . 1 . . . . . 15 DT H2'' . 53686 1
159 . 1 . 1 15 15 DT H3' H 1 4.793 0.01 . 1 . . . . . 15 DT H3' . 53686 1
160 . 1 . 1 15 15 DT H4' H 1 4.201 0.01 . 1 . . . . . 15 DT H4' . 53686 1
161 . 1 . 1 15 15 DT H5' H 1 3.971 0.01 . 2 . . . . . 15 DT H5' . 53686 1
162 . 1 . 1 15 15 DT H6 H 1 7.405 0.01 . 1 . . . . . 15 DT H6 . 53686 1
163 . 1 . 1 15 15 DT H71 H 1 1.649 0.01 . 3 . . . . . 15 DT H71 . 53686 1
164 . 1 . 1 15 15 DT H72 H 1 1.649 0.01 . 3 . . . . . 15 DT H72 . 53686 1
165 . 1 . 1 15 15 DT H73 H 1 1.649 0.01 . 3 . . . . . 15 DT H73 . 53686 1
166 . 1 . 1 15 15 DT P P 31 -3.923 0.05 . 1 . . . . . 15 DT P . 53686 1
167 . 1 . 1 16 16 DT H1' H 1 6.025 0.01 . 1 . . . . . 16 DT H1' . 53686 1
168 . 1 . 1 16 16 DT H2' H 1 2.379 0.01 . 1 . . . . . 16 DT H2' . 53686 1
169 . 1 . 1 16 16 DT H2'' H 1 2.508 0.01 . 1 . . . . . 16 DT H2'' . 53686 1
170 . 1 . 1 16 16 DT H3' H 1 4.909 0.01 . 1 . . . . . 16 DT H3' . 53686 1
171 . 1 . 1 16 16 DT H4' H 1 4.184 0.01 . 1 . . . . . 16 DT H4' . 53686 1
172 . 1 . 1 16 16 DT H5' H 1 4.023 0.01 . 2 . . . . . 16 DT H5' . 53686 1
173 . 1 . 1 16 16 DT H5'' H 1 3.982 0.01 . 2 . . . . . 16 DT H5'' . 53686 1
174 . 1 . 1 16 16 DT H6 H 1 7.374 0.01 . 1 . . . . . 16 DT H6 . 53686 1
175 . 1 . 1 16 16 DT H71 H 1 1.317 0.01 . 3 . . . . . 16 DT H71 . 53686 1
176 . 1 . 1 16 16 DT H72 H 1 1.317 0.01 . 3 . . . . . 16 DT H72 . 53686 1
177 . 1 . 1 16 16 DT H73 H 1 1.317 0.01 . 3 . . . . . 16 DT H73 . 53686 1
178 . 1 . 1 17 17 DG H1 H 1 12.024 0.01 . 1 . . . . . 17 DG H1 . 53686 1
179 . 1 . 1 17 17 DG H1' H 1 6.012 0.01 . 1 . . . . . 17 DG H1' . 53686 1
180 . 1 . 1 17 17 DG H2' H 1 3.400 0.01 . 1 . . . . . 17 DG H2' . 53686 1
181 . 1 . 1 17 17 DG H2'' H 1 2.853 0.01 . 1 . . . . . 17 DG H2'' . 53686 1
182 . 1 . 1 17 17 DG H3' H 1 4.958 0.01 . 1 . . . . . 17 DG H3' . 53686 1
183 . 1 . 1 17 17 DG H4' H 1 4.454 0.01 . 1 . . . . . 17 DG H4' . 53686 1
184 . 1 . 1 17 17 DG H5' H 1 4.438 0.01 . 2 . . . . . 17 DG H5' . 53686 1
185 . 1 . 1 17 17 DG H5'' H 1 4.285 0.01 . 2 . . . . . 17 DG H5'' . 53686 1
186 . 1 . 1 17 17 DG H8 H 1 7.442 0.01 . 1 . . . . . 17 DG H8 . 53686 1
187 . 1 . 1 17 17 DG C5 C 13 116.602 0.20 . 1 . . . . . 17 DG C5 . 53686 1
188 . 1 . 1 17 17 DG P P 31 -3.113 0.05 . 1 . . . . . 17 DG P . 53686 1
189 . 1 . 1 18 18 DG H1 H 1 12.337 0.01 . 1 . . . . . 18 DG H1 . 53686 1
190 . 1 . 1 18 18 DG H1' H 1 6.230 0.01 . 1 . . . . . 18 DG H1' . 53686 1
191 . 1 . 1 18 18 DG H2' H 1 2.696 0.01 . 1 . . . . . 18 DG H2' . 53686 1
192 . 1 . 1 18 18 DG H2'' H 1 2.477 0.01 . 1 . . . . . 18 DG H2'' . 53686 1
193 . 1 . 1 18 18 DG H3' H 1 4.805 0.01 . 1 . . . . . 18 DG H3' . 53686 1
194 . 1 . 1 18 18 DG H4' H 1 4.284 0.01 . 1 . . . . . 18 DG H4' . 53686 1
195 . 1 . 1 18 18 DG H5' H 1 4.248 0.01 . 2 . . . . . 18 DG H5' . 53686 1
196 . 1 . 1 18 18 DG H5'' H 1 4.195 0.01 . 2 . . . . . 18 DG H5'' . 53686 1
197 . 1 . 1 18 18 DG H8 H 1 8.117 0.01 . 1 . . . . . 18 DG H8 . 53686 1
198 . 1 . 1 18 18 DG C5 C 13 114.664 0.20 . 1 . . . . . 18 DG C5 . 53686 1
199 . 1 . 1 18 18 DG P P 31 -4.281 0.05 . 1 . . . . . 18 DG P . 53686 1
stop_
save_