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 53692
_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' . . . 53692 1
2 '2D 1H-1H NOESY' . . . 53692 1
3 '2D 1H-31P COSY' . . . 53692 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 . . 53692 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 12.112 0.01 . 1 . . . . . 1 DG H1 . 53692 1
2 . 1 . 1 1 1 DG H1' H 1 5.975 0.01 . 1 . . . . . 1 DG H1' . 53692 1
3 . 1 . 1 1 1 DG H2' H 1 2.954 0.01 . 1 . . . . . 1 DG H2' . 53692 1
4 . 1 . 1 1 1 DG H2'' H 1 3.059 0.01 . 1 . . . . . 1 DG H2'' . 53692 1
5 . 1 . 1 1 1 DG H3' H 1 5.032 0.01 . 1 . . . . . 1 DG H3' . 53692 1
6 . 1 . 1 1 1 DG H4' H 1 4.391 0.01 . 1 . . . . . 1 DG H4' . 53692 1
7 . 1 . 1 1 1 DG H5' H 1 4.039 0.01 . 2 . . . . . 1 DG H5' . 53692 1
8 . 1 . 1 1 1 DG H5'' H 1 3.941 0.01 . 2 . . . . . 1 DG H5'' . 53692 1
9 . 1 . 1 1 1 DG H8 H 1 7.540 0.01 . 1 . . . . . 1 DG H8 . 53692 1
10 . 1 . 1 1 1 DG C5 C 13 115.811 0.20 . 1 . . . . . 1 DG C5 . 53692 1
11 . 1 . 1 2 2 DG H1 H 1 12.186 0.01 . 1 . . . . . 2 DG H1 . 53692 1
12 . 1 . 1 2 2 DG H1' H 1 6.046 0.01 . 1 . . . . . 2 DG H1' . 53692 1
13 . 1 . 1 2 2 DG H2' H 1 2.644 0.01 . 1 . . . . . 2 DG H2' . 53692 1
14 . 1 . 1 2 2 DG H2'' H 1 2.724 0.01 . 1 . . . . . 2 DG H2'' . 53692 1
15 . 1 . 1 2 2 DG H3' H 1 5.152 0.01 . 1 . . . . . 2 DG H3' . 53692 1
16 . 1 . 1 2 2 DG H4' H 1 4.439 0.01 . 1 . . . . . 2 DG H4' . 53692 1
17 . 1 . 1 2 2 DG H5' H 1 4.269 0.01 . 2 . . . . . 2 DG H5' . 53692 1
18 . 1 . 1 2 2 DG H8 H 1 8.065 0.01 . 1 . . . . . 2 DG H8 . 53692 1
19 . 1 . 1 2 2 DG C5 C 13 114.876 0.20 . 1 . . . . . 2 DG C5 . 53692 1
20 . 1 . 1 2 2 DG P P 31 -4.279 0.05 . 1 . . . . . 2 DG P . 53692 1
21 . 1 . 1 3 3 DT H1' H 1 6.162 0.01 . 1 . . . . . 3 DT H1' . 53692 1
22 . 1 . 1 3 3 DT H2' H 1 2.298 0.01 . 1 . . . . . 3 DT H2' . 53692 1
23 . 1 . 1 3 3 DT H2'' H 1 2.435 0.01 . 1 . . . . . 3 DT H2'' . 53692 1
24 . 1 . 1 3 3 DT H3' H 1 5.004 0.01 . 1 . . . . . 3 DT H3' . 53692 1
25 . 1 . 1 3 3 DT H4' H 1 4.252 0.01 . 1 . . . . . 3 DT H4' . 53692 1
26 . 1 . 1 3 3 DT H5' H 1 4.266 0.01 . 2 . . . . . 3 DT H5' . 53692 1
27 . 1 . 1 3 3 DT H5'' H 1 4.159 0.01 . 2 . . . . . 3 DT H5'' . 53692 1
28 . 1 . 1 3 3 DT H6 H 1 7.701 0.01 . 1 . . . . . 3 DT H6 . 53692 1
29 . 1 . 1 3 3 DT H71 H 1 2.003 0.01 . 3 . . . . . 3 DT H71 . 53692 1
30 . 1 . 1 3 3 DT H72 H 1 2.003 0.01 . 3 . . . . . 3 DT H72 . 53692 1
31 . 1 . 1 3 3 DT H73 H 1 2.003 0.01 . 3 . . . . . 3 DT H73 . 53692 1
32 . 1 . 1 3 3 DT P P 31 -3.414 0.05 . 1 . . . . . 3 DT P . 53692 1
33 . 1 . 1 4 4 DT H1' H 1 6.004 0.01 . 1 . . . . . 4 DT H1' . 53692 1
34 . 1 . 1 4 4 DT H2' H 1 2.153 0.01 . 1 . . . . . 4 DT H2' . 53692 1
35 . 1 . 1 4 4 DT H2'' H 1 2.414 0.01 . 1 . . . . . 4 DT H2'' . 53692 1
36 . 1 . 1 4 4 DT H3' H 1 4.694 0.01 . 1 . . . . . 4 DT H3' . 53692 1
37 . 1 . 1 4 4 DT H4' H 1 4.171 0.01 . 1 . . . . . 4 DT H4' . 53692 1
38 . 1 . 1 4 4 DT H5' H 1 3.985 0.01 . 2 . . . . . 4 DT H5' . 53692 1
39 . 1 . 1 4 4 DT H5'' H 1 3.871 0.01 . 2 . . . . . 4 DT H5'' . 53692 1
40 . 1 . 1 4 4 DT H6 H 1 7.526 0.01 . 1 . . . . . 4 DT H6 . 53692 1
41 . 1 . 1 4 4 DT H71 H 1 1.815 0.01 . 3 . . . . . 4 DT H71 . 53692 1
42 . 1 . 1 4 4 DT H72 H 1 1.815 0.01 . 3 . . . . . 4 DT H72 . 53692 1
43 . 1 . 1 4 4 DT H73 H 1 1.815 0.01 . 3 . . . . . 4 DT H73 . 53692 1
44 . 1 . 1 4 4 DT P P 31 -4.113 0.05 . 1 . . . . . 4 DT P . 53692 1
45 . 1 . 1 5 5 DT H1' H 1 5.922 0.01 . 1 . . . . . 5 DT H1' . 53692 1
46 . 1 . 1 5 5 DT H2' H 1 2.080 0.01 . 1 . . . . . 5 DT H2' . 53692 1
47 . 1 . 1 5 5 DT H2'' H 1 2.399 0.01 . 1 . . . . . 5 DT H2'' . 53692 1
48 . 1 . 1 5 5 DT H3' H 1 4.690 0.01 . 1 . . . . . 5 DT H3' . 53692 1
49 . 1 . 1 5 5 DT H4' H 1 4.013 0.01 . 1 . . . . . 5 DT H4' . 53692 1
50 . 1 . 1 5 5 DT H5' H 1 3.787 0.01 . 2 . . . . . 5 DT H5' . 53692 1
51 . 1 . 1 5 5 DT H5'' H 1 3.424 0.01 . 2 . . . . . 5 DT H5'' . 53692 1
52 . 1 . 1 5 5 DT H6 H 1 7.354 0.01 . 1 . . . . . 5 DT H6 . 53692 1
53 . 1 . 1 5 5 DT H71 H 1 1.598 0.01 . 3 . . . . . 5 DT H71 . 53692 1
54 . 1 . 1 5 5 DT H72 H 1 1.598 0.01 . 3 . . . . . 5 DT H72 . 53692 1
55 . 1 . 1 5 5 DT H73 H 1 1.598 0.01 . 3 . . . . . 5 DT H73 . 53692 1
56 . 1 . 1 5 5 DT P P 31 -4.096 0.05 . 1 . . . . . 5 DT P . 53692 1
57 . 1 . 1 6 6 DT H1' H 1 5.851 0.01 . 1 . . . . . 6 DT H1' . 53692 1
58 . 1 . 1 6 6 DT H2' H 1 2.180 0.01 . 1 . . . . . 6 DT H2' . 53692 1
59 . 1 . 1 6 6 DT H2'' H 1 2.335 0.01 . 1 . . . . . 6 DT H2'' . 53692 1
60 . 1 . 1 6 6 DT H3' H 1 4.624 0.01 . 1 . . . . . 6 DT H3' . 53692 1
61 . 1 . 1 6 6 DT H4' H 1 4.031 0.01 . 1 . . . . . 6 DT H4' . 53692 1
62 . 1 . 1 6 6 DT H5' H 1 3.955 0.01 . 2 . . . . . 6 DT H5' . 53692 1
63 . 1 . 1 6 6 DT H5'' H 1 3.763 0.01 . 2 . . . . . 6 DT H5'' . 53692 1
64 . 1 . 1 6 6 DT H6 H 1 7.284 0.01 . 1 . . . . . 6 DT H6 . 53692 1
65 . 1 . 1 6 6 DT H71 H 1 1.630 0.01 . 3 . . . . . 6 DT H71 . 53692 1
66 . 1 . 1 6 6 DT H72 H 1 1.630 0.01 . 3 . . . . . 6 DT H72 . 53692 1
67 . 1 . 1 6 6 DT H73 H 1 1.630 0.01 . 3 . . . . . 6 DT H73 . 53692 1
68 . 1 . 1 6 6 DT P P 31 -4.293 0.05 . 1 . . . . . 6 DT P . 53692 1
69 . 1 . 1 7 7 DG H1 H 1 12.075 0.01 . 1 . . . . . 7 DG H1 . 53692 1
70 . 1 . 1 7 7 DG H1' H 1 6.002 0.01 . 1 . . . . . 7 DG H1' . 53692 1
71 . 1 . 1 7 7 DG H2' H 1 3.364 0.01 . 1 . . . . . 7 DG H2' . 53692 1
72 . 1 . 1 7 7 DG H2'' H 1 2.739 0.01 . 1 . . . . . 7 DG H2'' . 53692 1
73 . 1 . 1 7 7 DG H3' H 1 4.922 0.01 . 1 . . . . . 7 DG H3' . 53692 1
74 . 1 . 1 7 7 DG H4' H 1 4.390 0.01 . 1 . . . . . 7 DG H4' . 53692 1
75 . 1 . 1 7 7 DG H5' H 1 4.326 0.01 . 2 . . . . . 7 DG H5' . 53692 1
76 . 1 . 1 7 7 DG H5'' H 1 4.204 0.01 . 2 . . . . . 7 DG H5'' . 53692 1
77 . 1 . 1 7 7 DG H8 H 1 7.463 0.01 . 1 . . . . . 7 DG H8 . 53692 1
78 . 1 . 1 7 7 DG C5 C 13 117.216 0.20 . 1 . . . . . 7 DG C5 . 53692 1
79 . 1 . 1 7 7 DG P P 31 -4.104 0.05 . 1 . . . . . 7 DG P . 53692 1
80 . 1 . 1 8 8 DG H1 H 1 11.908 0.01 . 1 . . . . . 8 DG H1 . 53692 1
81 . 1 . 1 8 8 DG H1' H 1 6.038 0.01 . 1 . . . . . 8 DG H1' . 53692 1
82 . 1 . 1 8 8 DG H2' H 1 2.632 0.01 . 1 . . . . . 8 DG H2' . 53692 1
83 . 1 . 1 8 8 DG H2'' H 1 2.678 0.01 . 1 . . . . . 8 DG H2'' . 53692 1
84 . 1 . 1 8 8 DG H3' H 1 5.014 0.01 . 1 . . . . . 8 DG H3' . 53692 1
85 . 1 . 1 8 8 DG H4' H 1 4.527 0.01 . 1 . . . . . 8 DG H4' . 53692 1
86 . 1 . 1 8 8 DG H5' H 1 4.222 0.01 . 2 . . . . . 8 DG H5' . 53692 1
87 . 1 . 1 8 8 DG H8 H 1 8.012 0.01 . 1 . . . . . 8 DG H8 . 53692 1
88 . 1 . 1 8 8 DG C5 C 13 114.114 0.20 . 1 . . . . . 8 DG C5 . 53692 1
89 . 1 . 1 8 8 DG P P 31 -4.266 0.05 . 1 . . . . . 8 DG P . 53692 1
90 . 1 . 1 9 9 DT H1' H 1 5.658 0.01 . 1 . . . . . 9 DT H1' . 53692 1
91 . 1 . 1 9 9 DT H2' H 1 1.422 0.01 . 1 . . . . . 9 DT H2' . 53692 1
92 . 1 . 1 9 9 DT H2'' H 1 2.274 0.01 . 1 . . . . . 9 DT H2'' . 53692 1
93 . 1 . 1 9 9 DT H3' H 1 4.605 0.01 . 1 . . . . . 9 DT H3' . 53692 1
94 . 1 . 1 9 9 DT H4' H 1 4.060 0.01 . 1 . . . . . 9 DT H4' . 53692 1
95 . 1 . 1 9 9 DT H5' H 1 4.463 0.01 . 2 . . . . . 9 DT H5' . 53692 1
96 . 1 . 1 9 9 DT H5'' H 1 4.143 0.01 . 2 . . . . . 9 DT H5'' . 53692 1
97 . 1 . 1 9 9 DT H6 H 1 7.070 0.01 . 1 . . . . . 9 DT H6 . 53692 1
98 . 1 . 1 9 9 DT H71 H 1 1.838 0.01 . 3 . . . . . 9 DT H71 . 53692 1
99 . 1 . 1 9 9 DT H72 H 1 1.838 0.01 . 3 . . . . . 9 DT H72 . 53692 1
100 . 1 . 1 9 9 DT H73 H 1 1.838 0.01 . 3 . . . . . 9 DT H73 . 53692 1
101 . 1 . 1 9 9 DT P P 31 -4.851 0.05 . 1 . . . . . 9 DT P . 53692 1
102 . 1 . 1 10 10 DT H1' H 1 5.569 0.01 . 1 . . . . . 10 DT H1' . 53692 1
103 . 1 . 1 10 10 DT H2' H 1 2.121 0.01 . 1 . . . . . 10 DT H2' . 53692 1
104 . 1 . 1 10 10 DT H2'' H 1 1.975 0.01 . 1 . . . . . 10 DT H2'' . 53692 1
105 . 1 . 1 10 10 DT H3' H 1 4.614 0.01 . 1 . . . . . 10 DT H3' . 53692 1
106 . 1 . 1 10 10 DT H4' H 1 3.553 0.01 . 1 . . . . . 10 DT H4' . 53692 1
107 . 1 . 1 10 10 DT H5' H 1 3.657 0.01 . 2 . . . . . 10 DT H5' . 53692 1
108 . 1 . 1 10 10 DT H5'' H 1 3.560 0.01 . 2 . . . . . 10 DT H5'' . 53692 1
109 . 1 . 1 10 10 DT H6 H 1 7.318 0.01 . 1 . . . . . 10 DT H6 . 53692 1
110 . 1 . 1 10 10 DT H71 H 1 1.604 0.01 . 3 . . . . . 10 DT H71 . 53692 1
111 . 1 . 1 10 10 DT H72 H 1 1.604 0.01 . 3 . . . . . 10 DT H72 . 53692 1
112 . 1 . 1 10 10 DT H73 H 1 1.604 0.01 . 3 . . . . . 10 DT H73 . 53692 1
113 . 1 . 1 10 10 DT P P 31 -4.540 0.05 . 1 . . . . . 10 DT P . 53692 1
114 . 1 . 1 11 11 DT H1' H 1 5.447 0.01 . 1 . . . . . 11 DT H1' . 53692 1
115 . 1 . 1 11 11 DT H2' H 1 1.811 0.01 . 1 . . . . . 11 DT H2' . 53692 1
116 . 1 . 1 11 11 DT H2'' H 1 2.436 0.01 . 1 . . . . . 11 DT H2'' . 53692 1
117 . 1 . 1 11 11 DT H3' H 1 4.803 0.01 . 1 . . . . . 11 DT H3' . 53692 1
118 . 1 . 1 11 11 DT H4' H 1 4.529 0.01 . 1 . . . . . 11 DT H4' . 53692 1
119 . 1 . 1 11 11 DT H5' H 1 4.084 0.01 . 2 . . . . . 11 DT H5' . 53692 1
120 . 1 . 1 11 11 DT H5'' H 1 4.028 0.01 . 2 . . . . . 11 DT H5'' . 53692 1
121 . 1 . 1 11 11 DT H6 H 1 7.245 0.01 . 1 . . . . . 11 DT H6 . 53692 1
122 . 1 . 1 11 11 DT H71 H 1 1.575 0.01 . 3 . . . . . 11 DT H71 . 53692 1
123 . 1 . 1 11 11 DT H72 H 1 1.575 0.01 . 3 . . . . . 11 DT H72 . 53692 1
124 . 1 . 1 11 11 DT H73 H 1 1.575 0.01 . 3 . . . . . 11 DT H73 . 53692 1
125 . 1 . 1 11 11 DT P P 31 -4.061 0.05 . 1 . . . . . 11 DT P . 53692 1
126 . 1 . 1 12 12 DT H1' H 1 6.304 0.01 . 1 . . . . . 12 DT H1' . 53692 1
127 . 1 . 1 12 12 DT H2' H 1 2.157 0.01 . 1 . . . . . 12 DT H2' . 53692 1
128 . 1 . 1 12 12 DT H2'' H 1 2.468 0.01 . 1 . . . . . 12 DT H2'' . 53692 1
129 . 1 . 1 12 12 DT H3' H 1 4.547 0.01 . 1 . . . . . 12 DT H3' . 53692 1
130 . 1 . 1 12 12 DT H4' H 1 3.045 0.01 . 1 . . . . . 12 DT H4' . 53692 1
131 . 1 . 1 12 12 DT H5' H 1 3.026 0.01 . 2 . . . . . 12 DT H5' . 53692 1
132 . 1 . 1 12 12 DT H5'' H 1 2.903 0.01 . 2 . . . . . 12 DT H5'' . 53692 1
133 . 1 . 1 12 12 DT H6 H 1 7.640 0.01 . 1 . . . . . 12 DT H6 . 53692 1
134 . 1 . 1 12 12 DT H71 H 1 1.808 0.01 . 3 . . . . . 12 DT H71 . 53692 1
135 . 1 . 1 12 12 DT H72 H 1 1.808 0.01 . 3 . . . . . 12 DT H72 . 53692 1
136 . 1 . 1 12 12 DT H73 H 1 1.808 0.01 . 3 . . . . . 12 DT H73 . 53692 1
137 . 1 . 1 12 12 DT P P 31 -5.783 0.05 . 1 . . . . . 12 DT P . 53692 1
138 . 1 . 1 13 13 DG H1 H 1 12.118 0.01 . 1 . . . . . 13 DG H1 . 53692 1
139 . 1 . 1 13 13 DG H1' H 1 6.123 0.01 . 1 . . . . . 13 DG H1' . 53692 1
140 . 1 . 1 13 13 DG H2' H 1 3.490 0.01 . 1 . . . . . 13 DG H2' . 53692 1
141 . 1 . 1 13 13 DG H2'' H 1 2.949 0.01 . 1 . . . . . 13 DG H2'' . 53692 1
142 . 1 . 1 13 13 DG H3' H 1 5.002 0.01 . 1 . . . . . 13 DG H3' . 53692 1
143 . 1 . 1 13 13 DG H4' H 1 4.481 0.01 . 1 . . . . . 13 DG H4' . 53692 1
144 . 1 . 1 13 13 DG H5' H 1 4.164 0.01 . 2 . . . . . 13 DG H5' . 53692 1
145 . 1 . 1 13 13 DG H8 H 1 7.636 0.01 . 1 . . . . . 13 DG H8 . 53692 1
146 . 1 . 1 13 13 DG C5 C 13 115.768 0.20 . 1 . . . . . 13 DG C5 . 53692 1
147 . 1 . 1 13 13 DG P P 31 -4.768 0.05 . 1 . . . . . 13 DG P . 53692 1
148 . 1 . 1 14 14 DG H1 H 1 11.923 0.01 . 1 . . . . . 14 DG H1 . 53692 1
149 . 1 . 1 14 14 DG H1' H 1 5.993 0.01 . 1 . . . . . 14 DG H1' . 53692 1
150 . 1 . 1 14 14 DG H2' H 1 2.802 0.01 . 1 . . . . . 14 DG H2' . 53692 1
151 . 1 . 1 14 14 DG H2'' H 1 2.374 0.01 . 1 . . . . . 14 DG H2'' . 53692 1
152 . 1 . 1 14 14 DG H3' H 1 5.109 0.01 . 1 . . . . . 14 DG H3' . 53692 1
153 . 1 . 1 14 14 DG H4' H 1 4.438 0.01 . 1 . . . . . 14 DG H4' . 53692 1
154 . 1 . 1 14 14 DG H5' H 1 4.304 0.01 . 2 . . . . . 14 DG H5' . 53692 1
155 . 1 . 1 14 14 DG H8 H 1 8.148 0.01 . 1 . . . . . 14 DG H8 . 53692 1
156 . 1 . 1 14 14 DG C5 C 13 114.823 0.20 . 1 . . . . . 14 DG C5 . 53692 1
157 . 1 . 1 14 14 DG P P 31 -4.506 0.05 . 1 . . . . . 14 DG P . 53692 1
158 . 1 . 1 15 15 DT H1' H 1 6.172 0.01 . 1 . . . . . 15 DT H1' . 53692 1
159 . 1 . 1 15 15 DT H2' H 1 2.052 0.01 . 1 . . . . . 15 DT H2' . 53692 1
160 . 1 . 1 15 15 DT H2'' H 1 2.471 0.01 . 1 . . . . . 15 DT H2'' . 53692 1
161 . 1 . 1 15 15 DT H3' H 1 4.869 0.01 . 1 . . . . . 15 DT H3' . 53692 1
162 . 1 . 1 15 15 DT H4' H 1 4.357 0.01 . 1 . . . . . 15 DT H4' . 53692 1
163 . 1 . 1 15 15 DT H5' H 1 4.291 0.01 . 2 . . . . . 15 DT H5' . 53692 1
164 . 1 . 1 15 15 DT H5'' H 1 4.226 0.01 . 2 . . . . . 15 DT H5'' . 53692 1
165 . 1 . 1 15 15 DT H6 H 1 7.827 0.01 . 1 . . . . . 15 DT H6 . 53692 1
166 . 1 . 1 15 15 DT H71 H 1 2.027 0.01 . 3 . . . . . 15 DT H71 . 53692 1
167 . 1 . 1 15 15 DT H72 H 1 2.027 0.01 . 3 . . . . . 15 DT H72 . 53692 1
168 . 1 . 1 15 15 DT H73 H 1 2.027 0.01 . 3 . . . . . 15 DT H73 . 53692 1
169 . 1 . 1 15 15 DT P P 31 -2.832 0.05 . 1 . . . . . 15 DT P . 53692 1
170 . 1 . 1 16 16 DT H1' H 1 6.193 0.01 . 1 . . . . . 16 DT H1' . 53692 1
171 . 1 . 1 16 16 DT H2' H 1 2.205 0.01 . 1 . . . . . 16 DT H2' . 53692 1
172 . 1 . 1 16 16 DT H2'' H 1 2.691 0.01 . 1 . . . . . 16 DT H2'' . 53692 1
173 . 1 . 1 16 16 DT H3' H 1 4.922 0.01 . 1 . . . . . 16 DT H3' . 53692 1
174 . 1 . 1 16 16 DT H4' H 1 4.327 0.01 . 1 . . . . . 16 DT H4' . 53692 1
175 . 1 . 1 16 16 DT H5' H 1 4.154 0.01 . 2 . . . . . 16 DT H5' . 53692 1
176 . 1 . 1 16 16 DT H5'' H 1 3.945 0.01 . 2 . . . . . 16 DT H5'' . 53692 1
177 . 1 . 1 16 16 DT H6 H 1 7.295 0.01 . 1 . . . . . 16 DT H6 . 53692 1
178 . 1 . 1 16 16 DT H71 H 1 1.309 0.01 . 3 . . . . . 16 DT H71 . 53692 1
179 . 1 . 1 16 16 DT H72 H 1 1.309 0.01 . 3 . . . . . 16 DT H72 . 53692 1
180 . 1 . 1 16 16 DT H73 H 1 1.309 0.01 . 3 . . . . . 16 DT H73 . 53692 1
181 . 1 . 1 16 16 DT P P 31 -3.377 0.05 . 1 . . . . . 16 DT P . 53692 1
182 . 1 . 1 17 17 DG H1 H 1 11.628 0.01 . 1 . . . . . 17 DG H1 . 53692 1
183 . 1 . 1 17 17 DG H1' H 1 6.137 0.01 . 1 . . . . . 17 DG H1' . 53692 1
184 . 1 . 1 17 17 DG H2' H 1 3.697 0.01 . 1 . . . . . 17 DG H2' . 53692 1
185 . 1 . 1 17 17 DG H2'' H 1 3.110 0.01 . 1 . . . . . 17 DG H2'' . 53692 1
186 . 1 . 1 17 17 DG H3' H 1 4.983 0.01 . 1 . . . . . 17 DG H3' . 53692 1
187 . 1 . 1 17 17 DG H4' H 1 4.466 0.01 . 1 . . . . . 17 DG H4' . 53692 1
188 . 1 . 1 17 17 DG H5' H 1 4.335 0.01 . 2 . . . . . 17 DG H5' . 53692 1
189 . 1 . 1 17 17 DG H8 H 1 7.499 0.01 . 1 . . . . . 17 DG H8 . 53692 1
190 . 1 . 1 17 17 DG C5 C 13 116.614 0.20 . 1 . . . . . 17 DG C5 . 53692 1
191 . 1 . 1 17 17 DG P P 31 -3.295 0.05 . 1 . . . . . 17 DG P . 53692 1
192 . 1 . 1 18 18 DG H1 H 1 11.793 0.01 . 1 . . . . . 18 DG H1 . 53692 1
193 . 1 . 1 18 18 DG H1' H 1 6.217 0.01 . 1 . . . . . 18 DG H1' . 53692 1
194 . 1 . 1 18 18 DG H2' H 1 2.598 0.01 . 1 . . . . . 18 DG H2' . 53692 1
195 . 1 . 1 18 18 DG H2'' H 1 2.398 0.01 . 1 . . . . . 18 DG H2'' . 53692 1
196 . 1 . 1 18 18 DG H3' H 1 4.792 0.01 . 1 . . . . . 18 DG H3' . 53692 1
197 . 1 . 1 18 18 DG H4' H 1 4.252 0.01 . 1 . . . . . 18 DG H4' . 53692 1
198 . 1 . 1 18 18 DG H8 H 1 8.176 0.01 . 1 . . . . . 18 DG H8 . 53692 1
199 . 1 . 1 18 18 DG C5 C 13 114.609 0.20 . 1 . . . . . 18 DG C5 . 53692 1
200 . 1 . 1 18 18 DG P P 31 -4.194 0.05 . 1 . . . . . 18 DG P . 53692 1
stop_
save_