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 53693
_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' . . . 53693 1
2 '2D 1H-1H NOESY' . . . 53693 1
3 '2D 1H-31P COSY' . . . 53693 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 . . 53693 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 12.063 0.01 . 1 . . . . . 1 DG H1 . 53693 1
2 . 1 . 1 1 1 DG H1' H 1 5.982 0.01 . 1 . . . . . 1 DG H1' . 53693 1
3 . 1 . 1 1 1 DG H2' H 1 2.921 0.01 . 1 . . . . . 1 DG H2' . 53693 1
4 . 1 . 1 1 1 DG H2'' H 1 3.052 0.01 . 1 . . . . . 1 DG H2'' . 53693 1
5 . 1 . 1 1 1 DG H3' H 1 5.033 0.01 . 1 . . . . . 1 DG H3' . 53693 1
6 . 1 . 1 1 1 DG H4' H 1 4.405 0.01 . 1 . . . . . 1 DG H4' . 53693 1
7 . 1 . 1 1 1 DG H5' H 1 4.048 0.01 . 2 . . . . . 1 DG H5' . 53693 1
8 . 1 . 1 1 1 DG H5'' H 1 3.951 0.01 . 2 . . . . . 1 DG H5'' . 53693 1
9 . 1 . 1 1 1 DG H8 H 1 7.527 0.01 . 1 . . . . . 1 DG H8 . 53693 1
10 . 1 . 1 1 1 DG C5 C 13 115.757 0.20 . 1 . . . . . 1 DG C5 . 53693 1
11 . 1 . 1 2 2 DG H1 H 1 12.126 0.01 . 1 . . . . . 2 DG H1 . 53693 1
12 . 1 . 1 2 2 DG H1' H 1 6.075 0.01 . 1 . . . . . 2 DG H1' . 53693 1
13 . 1 . 1 2 2 DG H2' H 1 2.642 0.01 . 1 . . . . . 2 DG H2' . 53693 1
14 . 1 . 1 2 2 DG H2'' H 1 2.626 0.01 . 1 . . . . . 2 DG H2'' . 53693 1
15 . 1 . 1 2 2 DG H3' H 1 5.113 0.01 . 1 . . . . . 2 DG H3' . 53693 1
16 . 1 . 1 2 2 DG H4' H 1 4.460 0.01 . 1 . . . . . 2 DG H4' . 53693 1
17 . 1 . 1 2 2 DG H5' H 1 4.281 0.01 . 2 . . . . . 2 DG H5' . 53693 1
18 . 1 . 1 2 2 DG H8 H 1 8.034 0.01 . 1 . . . . . 2 DG H8 . 53693 1
19 . 1 . 1 2 2 DG C5 C 13 114.734 0.20 . 1 . . . . . 2 DG C5 . 53693 1
20 . 1 . 1 2 2 DG P P 31 -4.301 0.05 . 1 . . . . . 2 DG P . 53693 1
21 . 1 . 1 3 3 DT H1' H 1 6.196 0.01 . 1 . . . . . 3 DT H1' . 53693 1
22 . 1 . 1 3 3 DT H2' H 1 2.287 0.01 . 1 . . . . . 3 DT H2' . 53693 1
23 . 1 . 1 3 3 DT H2'' H 1 2.449 0.01 . 1 . . . . . 3 DT H2'' . 53693 1
24 . 1 . 1 3 3 DT H3' H 1 4.888 0.01 . 1 . . . . . 3 DT H3' . 53693 1
25 . 1 . 1 3 3 DT H4' H 1 4.308 0.01 . 1 . . . . . 3 DT H4' . 53693 1
26 . 1 . 1 3 3 DT H5' H 1 4.296 0.01 . 2 . . . . . 3 DT H5' . 53693 1
27 . 1 . 1 3 3 DT H5'' H 1 4.185 0.01 . 2 . . . . . 3 DT H5'' . 53693 1
28 . 1 . 1 3 3 DT H6 H 1 7.591 0.01 . 1 . . . . . 3 DT H6 . 53693 1
29 . 1 . 1 3 3 DT H71 H 1 1.904 0.01 . 3 . . . . . 3 DT H71 . 53693 1
30 . 1 . 1 3 3 DT H72 H 1 1.904 0.01 . 3 . . . . . 3 DT H72 . 53693 1
31 . 1 . 1 3 3 DT H73 H 1 1.904 0.01 . 3 . . . . . 3 DT H73 . 53693 1
32 . 1 . 1 3 3 DT P P 31 -3.802 0.05 . 1 . . . . . 3 DT P . 53693 1
33 . 1 . 1 4 4 DT H1' H 1 6.038 0.01 . 1 . . . . . 4 DT H1' . 53693 1
34 . 1 . 1 4 4 DT H2' H 1 2.112 0.01 . 1 . . . . . 4 DT H2' . 53693 1
35 . 1 . 1 4 4 DT H2'' H 1 2.306 0.01 . 1 . . . . . 4 DT H2'' . 53693 1
36 . 1 . 1 4 4 DT H3' H 1 4.749 0.01 . 1 . . . . . 4 DT H3' . 53693 1
37 . 1 . 1 4 4 DT H4' H 1 4.171 0.01 . 1 . . . . . 4 DT H4' . 53693 1
38 . 1 . 1 4 4 DT H5' H 1 4.033 0.01 . 2 . . . . . 4 DT H5' . 53693 1
39 . 1 . 1 4 4 DT H6 H 1 7.475 0.01 . 1 . . . . . 4 DT H6 . 53693 1
40 . 1 . 1 4 4 DT H71 H 1 1.788 0.01 . 3 . . . . . 4 DT H71 . 53693 1
41 . 1 . 1 4 4 DT H72 H 1 1.788 0.01 . 3 . . . . . 4 DT H72 . 53693 1
42 . 1 . 1 4 4 DT H73 H 1 1.788 0.01 . 3 . . . . . 4 DT H73 . 53693 1
43 . 1 . 1 4 4 DT P P 31 -4.009 0.05 . 1 . . . . . 4 DT P . 53693 1
44 . 1 . 1 5 5 DT H1' H 1 5.982 0.01 . 1 . . . . . 5 DT H1' . 53693 1
45 . 1 . 1 5 5 DT H2' H 1 2.284 0.01 . 1 . . . . . 5 DT H2' . 53693 1
46 . 1 . 1 5 5 DT H2'' H 1 2.546 0.01 . 1 . . . . . 5 DT H2'' . 53693 1
47 . 1 . 1 5 5 DT H3' H 1 4.704 0.01 . 1 . . . . . 5 DT H3' . 53693 1
48 . 1 . 1 5 5 DT H4' H 1 4.180 0.01 . 1 . . . . . 5 DT H4' . 53693 1
49 . 1 . 1 5 5 DT H5' H 1 3.838 0.01 . 2 . . . . . 5 DT H5' . 53693 1
50 . 1 . 1 5 5 DT H5'' H 1 3.791 0.01 . 2 . . . . . 5 DT H5'' . 53693 1
51 . 1 . 1 5 5 DT H6 H 1 7.375 0.01 . 1 . . . . . 5 DT H6 . 53693 1
52 . 1 . 1 5 5 DT H71 H 1 1.650 0.01 . 3 . . . . . 5 DT H71 . 53693 1
53 . 1 . 1 5 5 DT H72 H 1 1.650 0.01 . 3 . . . . . 5 DT H72 . 53693 1
54 . 1 . 1 5 5 DT H73 H 1 1.650 0.01 . 3 . . . . . 5 DT H73 . 53693 1
55 . 1 . 1 5 5 DT P P 31 -4.020 0.05 . 1 . . . . . 5 DT P . 53693 1
56 . 1 . 1 6 6 DT H1' H 1 5.927 0.01 . 1 . . . . . 6 DT H1' . 53693 1
57 . 1 . 1 6 6 DT H2' H 1 2.064 0.01 . 1 . . . . . 6 DT H2' . 53693 1
58 . 1 . 1 6 6 DT H2'' H 1 2.332 0.01 . 1 . . . . . 6 DT H2'' . 53693 1
59 . 1 . 1 6 6 DT H3' H 1 4.695 0.01 . 1 . . . . . 6 DT H3' . 53693 1
60 . 1 . 1 6 6 DT H4' H 1 4.056 0.01 . 1 . . . . . 6 DT H4' . 53693 1
61 . 1 . 1 6 6 DT H5' H 1 3.907 0.01 . 2 . . . . . 6 DT H5' . 53693 1
62 . 1 . 1 6 6 DT H6 H 1 7.437 0.01 . 1 . . . . . 6 DT H6 . 53693 1
63 . 1 . 1 6 6 DT H71 H 1 1.625 0.01 . 3 . . . . . 6 DT H71 . 53693 1
64 . 1 . 1 6 6 DT H72 H 1 1.625 0.01 . 3 . . . . . 6 DT H72 . 53693 1
65 . 1 . 1 6 6 DT H73 H 1 1.625 0.01 . 3 . . . . . 6 DT H73 . 53693 1
66 . 1 . 1 6 6 DT P P 31 -4.298 0.05 . 1 . . . . . 6 DT P . 53693 1
67 . 1 . 1 7 7 DG H1 H 1 12.028 0.01 . 1 . . . . . 7 DG H1 . 53693 1
68 . 1 . 1 7 7 DG H1' H 1 5.960 0.01 . 1 . . . . . 7 DG H1' . 53693 1
69 . 1 . 1 7 7 DG H2' H 1 3.314 0.01 . 1 . . . . . 7 DG H2' . 53693 1
70 . 1 . 1 7 7 DG H2'' H 1 2.744 0.01 . 1 . . . . . 7 DG H2'' . 53693 1
71 . 1 . 1 7 7 DG H3' H 1 4.963 0.01 . 1 . . . . . 7 DG H3' . 53693 1
72 . 1 . 1 7 7 DG H8 H 1 7.439 0.01 . 1 . . . . . 7 DG H8 . 53693 1
73 . 1 . 1 7 7 DG C5 C 13 117.036 0.20 . 1 . . . . . 7 DG C5 . 53693 1
74 . 1 . 1 7 7 DG P P 31 -4.070 0.05 . 1 . . . . . 7 DG P . 53693 1
75 . 1 . 1 8 8 DG H1 H 1 11.840 0.01 . 1 . . . . . 8 DG H1 . 53693 1
76 . 1 . 1 8 8 DG H1' H 1 6.036 0.01 . 1 . . . . . 8 DG H1' . 53693 1
77 . 1 . 1 8 8 DG H2' H 1 2.619 0.01 . 1 . . . . . 8 DG H2' . 53693 1
78 . 1 . 1 8 8 DG H2'' H 1 2.685 0.01 . 1 . . . . . 8 DG H2'' . 53693 1
79 . 1 . 1 8 8 DG H3' H 1 5.014 0.01 . 1 . . . . . 8 DG H3' . 53693 1
80 . 1 . 1 8 8 DG H4' H 1 4.521 0.01 . 1 . . . . . 8 DG H4' . 53693 1
81 . 1 . 1 8 8 DG H5' H 1 4.223 0.01 . 2 . . . . . 8 DG H5' . 53693 1
82 . 1 . 1 8 8 DG H8 H 1 8.006 0.01 . 1 . . . . . 8 DG H8 . 53693 1
83 . 1 . 1 8 8 DG C5 C 13 114.117 0.20 . 1 . . . . . 8 DG C5 . 53693 1
84 . 1 . 1 8 8 DG P P 31 -4.249 0.05 . 1 . . . . . 8 DG P . 53693 1
85 . 1 . 1 9 9 DT H1' H 1 5.638 0.01 . 1 . . . . . 9 DT H1' . 53693 1
86 . 1 . 1 9 9 DT H2' H 1 1.462 0.01 . 1 . . . . . 9 DT H2' . 53693 1
87 . 1 . 1 9 9 DT H2'' H 1 2.272 0.01 . 1 . . . . . 9 DT H2'' . 53693 1
88 . 1 . 1 9 9 DT H3' H 1 4.607 0.01 . 1 . . . . . 9 DT H3' . 53693 1
89 . 1 . 1 9 9 DT H4' H 1 4.043 0.01 . 1 . . . . . 9 DT H4' . 53693 1
90 . 1 . 1 9 9 DT H5' H 1 4.443 0.01 . 2 . . . . . 9 DT H5' . 53693 1
91 . 1 . 1 9 9 DT H6 H 1 7.070 0.01 . 1 . . . . . 9 DT H6 . 53693 1
92 . 1 . 1 9 9 DT H71 H 1 1.834 0.01 . 3 . . . . . 9 DT H71 . 53693 1
93 . 1 . 1 9 9 DT H72 H 1 1.834 0.01 . 3 . . . . . 9 DT H72 . 53693 1
94 . 1 . 1 9 9 DT H73 H 1 1.834 0.01 . 3 . . . . . 9 DT H73 . 53693 1
95 . 1 . 1 9 9 DT P P 31 -4.808 0.05 . 1 . . . . . 9 DT P . 53693 1
96 . 1 . 1 10 10 DT H1' H 1 5.585 0.01 . 1 . . . . . 10 DT H1' . 53693 1
97 . 1 . 1 10 10 DT H2' H 1 2.066 0.01 . 1 . . . . . 10 DT H2' . 53693 1
98 . 1 . 1 10 10 DT H2'' H 1 1.991 0.01 . 1 . . . . . 10 DT H2'' . 53693 1
99 . 1 . 1 10 10 DT H3' H 1 4.603 0.01 . 1 . . . . . 10 DT H3' . 53693 1
100 . 1 . 1 10 10 DT H4' H 1 3.577 0.01 . 1 . . . . . 10 DT H4' . 53693 1
101 . 1 . 1 10 10 DT H5' H 1 3.667 0.01 . 2 . . . . . 10 DT H5' . 53693 1
102 . 1 . 1 10 10 DT H5'' H 1 3.583 0.01 . 2 . . . . . 10 DT H5'' . 53693 1
103 . 1 . 1 10 10 DT H6 H 1 7.321 0.01 . 1 . . . . . 10 DT H6 . 53693 1
104 . 1 . 1 10 10 DT H71 H 1 1.614 0.01 . 3 . . . . . 10 DT H71 . 53693 1
105 . 1 . 1 10 10 DT H72 H 1 1.614 0.01 . 3 . . . . . 10 DT H72 . 53693 1
106 . 1 . 1 10 10 DT H73 H 1 1.614 0.01 . 3 . . . . . 10 DT H73 . 53693 1
107 . 1 . 1 10 10 DT P P 31 -4.412 0.05 . 1 . . . . . 10 DT P . 53693 1
108 . 1 . 1 11 11 DT H1' H 1 5.483 0.01 . 1 . . . . . 11 DT H1' . 53693 1
109 . 1 . 1 11 11 DT H2' H 1 1.830 0.01 . 1 . . . . . 11 DT H2' . 53693 1
110 . 1 . 1 11 11 DT H2'' H 1 2.382 0.01 . 1 . . . . . 11 DT H2'' . 53693 1
111 . 1 . 1 11 11 DT H3' H 1 4.751 0.01 . 1 . . . . . 11 DT H3' . 53693 1
112 . 1 . 1 11 11 DT H4' H 1 4.490 0.01 . 1 . . . . . 11 DT H4' . 53693 1
113 . 1 . 1 11 11 DT H5' H 1 4.052 0.01 . 2 . . . . . 11 DT H5' . 53693 1
114 . 1 . 1 11 11 DT H5'' H 1 4.007 0.01 . 2 . . . . . 11 DT H5'' . 53693 1
115 . 1 . 1 11 11 DT H6 H 1 7.254 0.01 . 1 . . . . . 11 DT H6 . 53693 1
116 . 1 . 1 11 11 DT H71 H 1 1.569 0.01 . 3 . . . . . 11 DT H71 . 53693 1
117 . 1 . 1 11 11 DT H72 H 1 1.569 0.01 . 3 . . . . . 11 DT H72 . 53693 1
118 . 1 . 1 11 11 DT H73 H 1 1.569 0.01 . 3 . . . . . 11 DT H73 . 53693 1
119 . 1 . 1 11 11 DT P P 31 -4.083 0.05 . 1 . . . . . 11 DT P . 53693 1
120 . 1 . 1 12 12 DT H1' H 1 6.249 0.01 . 1 . . . . . 12 DT H1' . 53693 1
121 . 1 . 1 12 12 DT H2' H 1 2.130 0.01 . 1 . . . . . 12 DT H2' . 53693 1
122 . 1 . 1 12 12 DT H2'' H 1 2.461 0.01 . 1 . . . . . 12 DT H2'' . 53693 1
123 . 1 . 1 12 12 DT H3' H 1 4.545 0.01 . 1 . . . . . 12 DT H3' . 53693 1
124 . 1 . 1 12 12 DT H6 H 1 7.591 0.01 . 1 . . . . . 12 DT H6 . 53693 1
125 . 1 . 1 12 12 DT H71 H 1 1.799 0.01 . 3 . . . . . 12 DT H71 . 53693 1
126 . 1 . 1 12 12 DT H72 H 1 1.799 0.01 . 3 . . . . . 12 DT H72 . 53693 1
127 . 1 . 1 12 12 DT H73 H 1 1.799 0.01 . 3 . . . . . 12 DT H73 . 53693 1
128 . 1 . 1 12 12 DT P P 31 -5.740 0.05 . 1 . . . . . 12 DT P . 53693 1
129 . 1 . 1 13 13 DG H1 H 1 11.969 0.01 . 1 . . . . . 13 DG H1 . 53693 1
130 . 1 . 1 13 13 DG H1' H 1 6.130 0.01 . 1 . . . . . 13 DG H1' . 53693 1
131 . 1 . 1 13 13 DG H2' H 1 3.489 0.01 . 1 . . . . . 13 DG H2' . 53693 1
132 . 1 . 1 13 13 DG H2'' H 1 2.920 0.01 . 1 . . . . . 13 DG H2'' . 53693 1
133 . 1 . 1 13 13 DG H3' H 1 4.951 0.01 . 1 . . . . . 13 DG H3' . 53693 1
134 . 1 . 1 13 13 DG H8 H 1 7.623 0.01 . 1 . . . . . 13 DG H8 . 53693 1
135 . 1 . 1 13 13 DG C5 C 13 115.488 0.20 . 1 . . . . . 13 DG C5 . 53693 1
136 . 1 . 1 13 13 DG P P 31 -4.713 0.05 . 1 . . . . . 13 DG P . 53693 1
137 . 1 . 1 14 14 DG H1 H 1 11.792 0.01 . 1 . . . . . 14 DG H1 . 53693 1
138 . 1 . 1 14 14 DG H1' H 1 6.047 0.01 . 1 . . . . . 14 DG H1' . 53693 1
139 . 1 . 1 14 14 DG H2' H 1 2.687 0.01 . 1 . . . . . 14 DG H2' . 53693 1
140 . 1 . 1 14 14 DG H2'' H 1 2.421 0.01 . 1 . . . . . 14 DG H2'' . 53693 1
141 . 1 . 1 14 14 DG H3' H 1 5.183 0.01 . 1 . . . . . 14 DG H3' . 53693 1
142 . 1 . 1 14 14 DG H4' H 1 4.457 0.01 . 1 . . . . . 14 DG H4' . 53693 1
143 . 1 . 1 14 14 DG H5' H 1 4.311 0.01 . 2 . . . . . 14 DG H5' . 53693 1
144 . 1 . 1 14 14 DG H5'' H 1 4.267 0.01 . 2 . . . . . 14 DG H5'' . 53693 1
145 . 1 . 1 14 14 DG H8 H 1 8.119 0.01 . 1 . . . . . 14 DG H8 . 53693 1
146 . 1 . 1 14 14 DG C5 C 13 114.649 0.20 . 1 . . . . . 14 DG C5 . 53693 1
147 . 1 . 1 14 14 DG P P 31 -4.576 0.05 . 1 . . . . . 14 DG P . 53693 1
148 . 1 . 1 15 15 DT H1' H 1 6.348 0.01 . 1 . . . . . 15 DT H1' . 53693 1
149 . 1 . 1 15 15 DT H2' H 1 2.243 0.01 . 1 . . . . . 15 DT H2' . 53693 1
150 . 1 . 1 15 15 DT H2'' H 1 2.428 0.01 . 1 . . . . . 15 DT H2'' . 53693 1
151 . 1 . 1 15 15 DT H3' H 1 4.910 0.01 . 1 . . . . . 15 DT H3' . 53693 1
152 . 1 . 1 15 15 DT H4' H 1 4.495 0.01 . 1 . . . . . 15 DT H4' . 53693 1
153 . 1 . 1 15 15 DT H5' H 1 4.258 0.01 . 2 . . . . . 15 DT H5' . 53693 1
154 . 1 . 1 15 15 DT H5'' H 1 4.141 0.01 . 2 . . . . . 15 DT H5'' . 53693 1
155 . 1 . 1 15 15 DT H6 H 1 7.912 0.01 . 1 . . . . . 15 DT H6 . 53693 1
156 . 1 . 1 15 15 DT H71 H 1 2.113 0.01 . 3 . . . . . 15 DT H71 . 53693 1
157 . 1 . 1 15 15 DT H72 H 1 2.113 0.01 . 3 . . . . . 15 DT H72 . 53693 1
158 . 1 . 1 15 15 DT H73 H 1 2.113 0.01 . 3 . . . . . 15 DT H73 . 53693 1
159 . 1 . 1 15 15 DT P P 31 -3.169 0.05 . 1 . . . . . 15 DT P . 53693 1
160 . 1 . 1 16 16 DT H1' H 1 6.047 0.01 . 1 . . . . . 16 DT H1' . 53693 1
161 . 1 . 1 16 16 DT H2' H 1 1.820 0.01 . 1 . . . . . 16 DT H2' . 53693 1
162 . 1 . 1 16 16 DT H2'' H 1 2.371 0.01 . 1 . . . . . 16 DT H2'' . 53693 1
163 . 1 . 1 16 16 DT H3' H 1 4.809 0.01 . 1 . . . . . 16 DT H3' . 53693 1
164 . 1 . 1 16 16 DT H4' H 1 4.306 0.01 . 1 . . . . . 16 DT H4' . 53693 1
165 . 1 . 1 16 16 DT H5' H 1 4.074 0.01 . 2 . . . . . 16 DT H5' . 53693 1
166 . 1 . 1 16 16 DT H6 H 1 7.525 0.01 . 1 . . . . . 16 DT H6 . 53693 1
167 . 1 . 1 16 16 DT H71 H 1 1.691 0.01 . 3 . . . . . 16 DT H71 . 53693 1
168 . 1 . 1 16 16 DT H72 H 1 1.691 0.01 . 3 . . . . . 16 DT H72 . 53693 1
169 . 1 . 1 16 16 DT H73 H 1 1.691 0.01 . 3 . . . . . 16 DT H73 . 53693 1
170 . 1 . 1 16 16 DT P P 31 -3.811 0.05 . 1 . . . . . 16 DT P . 53693 1
171 . 1 . 1 17 17 DT H1' H 1 6.157 0.01 . 1 . . . . . 17 DT H1' . 53693 1
172 . 1 . 1 17 17 DT H2' H 1 2.479 0.01 . 1 . . . . . 17 DT H2' . 53693 1
173 . 1 . 1 17 17 DT H2'' H 1 2.525 0.01 . 1 . . . . . 17 DT H2'' . 53693 1
174 . 1 . 1 17 17 DT H3' H 1 4.995 0.01 . 1 . . . . . 17 DT H3' . 53693 1
175 . 1 . 1 17 17 DT H4' H 1 4.181 0.01 . 1 . . . . . 17 DT H4' . 53693 1
176 . 1 . 1 17 17 DT H5' H 1 4.084 0.01 . 2 . . . . . 17 DT H5' . 53693 1
177 . 1 . 1 17 17 DT H5'' H 1 3.976 0.01 . 2 . . . . . 17 DT H5'' . 53693 1
178 . 1 . 1 17 17 DT H6 H 1 7.376 0.01 . 1 . . . . . 17 DT H6 . 53693 1
179 . 1 . 1 17 17 DT H71 H 1 1.479 0.01 . 3 . . . . . 17 DT H71 . 53693 1
180 . 1 . 1 17 17 DT H72 H 1 1.479 0.01 . 3 . . . . . 17 DT H72 . 53693 1
181 . 1 . 1 17 17 DT H73 H 1 1.479 0.01 . 3 . . . . . 17 DT H73 . 53693 1
182 . 1 . 1 17 17 DT P P 31 -4.116 0.05 . 1 . . . . . 17 DT P . 53693 1
183 . 1 . 1 18 18 DG H1 H 1 11.686 0.01 . 1 . . . . . 18 DG H1 . 53693 1
184 . 1 . 1 18 18 DG H1' H 1 6.100 0.01 . 1 . . . . . 18 DG H1' . 53693 1
185 . 1 . 1 18 18 DG H2' H 1 3.604 0.01 . 1 . . . . . 18 DG H2' . 53693 1
186 . 1 . 1 18 18 DG H2'' H 1 3.021 0.01 . 1 . . . . . 18 DG H2'' . 53693 1
187 . 1 . 1 18 18 DG H3' H 1 4.982 0.01 . 1 . . . . . 18 DG H3' . 53693 1
188 . 1 . 1 18 18 DG H4' H 1 4.467 0.01 . 1 . . . . . 18 DG H4' . 53693 1
189 . 1 . 1 18 18 DG H5' H 1 4.418 0.01 . 2 . . . . . 18 DG H5' . 53693 1
190 . 1 . 1 18 18 DG H5'' H 1 4.262 0.01 . 2 . . . . . 18 DG H5'' . 53693 1
191 . 1 . 1 18 18 DG H8 H 1 7.464 0.01 . 1 . . . . . 18 DG H8 . 53693 1
192 . 1 . 1 18 18 DG C5 C 13 116.568 0.20 . 1 . . . . . 18 DG C5 . 53693 1
193 . 1 . 1 18 18 DG P P 31 -2.917 0.05 . 1 . . . . . 18 DG P . 53693 1
194 . 1 . 1 19 19 DG H1 H 1 11.716 0.01 . 1 . . . . . 19 DG H1 . 53693 1
195 . 1 . 1 19 19 DG H1' H 1 6.274 0.01 . 1 . . . . . 19 DG H1' . 53693 1
196 . 1 . 1 19 19 DG H2' H 1 2.658 0.01 . 1 . . . . . 19 DG H2' . 53693 1
197 . 1 . 1 19 19 DG H2'' H 1 2.428 0.01 . 1 . . . . . 19 DG H2'' . 53693 1
198 . 1 . 1 19 19 DG H3' H 1 4.800 0.01 . 1 . . . . . 19 DG H3' . 53693 1
199 . 1 . 1 19 19 DG H4' H 1 4.286 0.01 . 1 . . . . . 19 DG H4' . 53693 1
200 . 1 . 1 19 19 DG H5' H 1 4.328 0.01 . 2 . . . . . 19 DG H5' . 53693 1
201 . 1 . 1 19 19 DG H5'' H 1 4.220 0.01 . 2 . . . . . 19 DG H5'' . 53693 1
202 . 1 . 1 19 19 DG H8 H 1 8.267 0.01 . 1 . . . . . 19 DG H8 . 53693 1
203 . 1 . 1 19 19 DG C5 C 13 114.523 0.20 . 1 . . . . . 19 DG C5 . 53693 1
204 . 1 . 1 19 19 DG P P 31 -4.273 0.05 . 1 . . . . . 19 DG P . 53693 1
stop_
save_