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 53690
_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' . . . 53690 1
2 '2D 1H-1H NOESY' . . . 53690 1
3 '2D 1H-31P COSY' . . . 53690 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 . . 53690 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 12.065 0.01 . 1 . . . . . 1 DG H1 . 53690 1
2 . 1 . 1 1 1 DG H1' H 1 5.959 0.01 . 1 . . . . . 1 DG H1' . 53690 1
3 . 1 . 1 1 1 DG H2' H 1 2.931 0.01 . 1 . . . . . 1 DG H2' . 53690 1
4 . 1 . 1 1 1 DG H2'' H 1 3.045 0.01 . 1 . . . . . 1 DG H2'' . 53690 1
5 . 1 . 1 1 1 DG H3' H 1 5.025 0.01 . 1 . . . . . 1 DG H3' . 53690 1
6 . 1 . 1 1 1 DG H4' H 1 4.395 0.01 . 1 . . . . . 1 DG H4' . 53690 1
7 . 1 . 1 1 1 DG H5' H 1 4.028 0.01 . 2 . . . . . 1 DG H5' . 53690 1
8 . 1 . 1 1 1 DG H5'' H 1 3.944 0.01 . 2 . . . . . 1 DG H5'' . 53690 1
9 . 1 . 1 1 1 DG H8 H 1 7.492 0.01 . 1 . . . . . 1 DG H8 . 53690 1
10 . 1 . 1 1 1 DG C5 C 13 115.709 0.20 . 1 . . . . . 1 DG C5 . 53690 1
11 . 1 . 1 2 2 DG H1 H 1 12.055 0.01 . 1 . . . . . 2 DG H1 . 53690 1
12 . 1 . 1 2 2 DG H1' H 1 6.012 0.01 . 1 . . . . . 2 DG H1' . 53690 1
13 . 1 . 1 2 2 DG H2' H 1 2.687 0.01 . 1 . . . . . 2 DG H2' . 53690 1
14 . 1 . 1 2 2 DG H2'' H 1 2.488 0.01 . 1 . . . . . 2 DG H2'' . 53690 1
15 . 1 . 1 2 2 DG H3' H 1 5.096 0.01 . 1 . . . . . 2 DG H3' . 53690 1
16 . 1 . 1 2 2 DG H4' H 1 4.391 0.01 . 1 . . . . . 2 DG H4' . 53690 1
17 . 1 . 1 2 2 DG H5' H 1 4.286 0.01 . 2 . . . . . 2 DG H5' . 53690 1
18 . 1 . 1 2 2 DG H5'' H 1 4.245 0.01 . 2 . . . . . 2 DG H5'' . 53690 1
19 . 1 . 1 2 2 DG H8 H 1 8.044 0.01 . 1 . . . . . 2 DG H8 . 53690 1
20 . 1 . 1 2 2 DG C5 C 13 114.786 0.20 . 1 . . . . . 2 DG C5 . 53690 1
21 . 1 . 1 2 2 DG P P 31 -4.289 0.05 . 1 . . . . . 2 DG P . 53690 1
22 . 1 . 1 3 3 DT H1' H 1 6.374 0.01 . 1 . . . . . 3 DT H1' . 53690 1
23 . 1 . 1 3 3 DT H2' H 1 2.361 0.01 . 1 . . . . . 3 DT H2' . 53690 1
24 . 1 . 1 3 3 DT H2'' H 1 2.618 0.01 . 1 . . . . . 3 DT H2'' . 53690 1
25 . 1 . 1 3 3 DT H3' H 1 4.861 0.01 . 1 . . . . . 3 DT H3' . 53690 1
26 . 1 . 1 3 3 DT H4' H 1 4.419 0.01 . 1 . . . . . 3 DT H4' . 53690 1
27 . 1 . 1 3 3 DT H5' H 1 4.247 0.01 . 2 . . . . . 3 DT H5' . 53690 1
28 . 1 . 1 3 3 DT H5'' H 1 4.179 0.01 . 2 . . . . . 3 DT H5'' . 53690 1
29 . 1 . 1 3 3 DT H6 H 1 7.886 0.01 . 1 . . . . . 3 DT H6 . 53690 1
30 . 1 . 1 3 3 DT H71 H 1 1.996 0.01 . 3 . . . . . 3 DT H71 . 53690 1
31 . 1 . 1 3 3 DT H72 H 1 1.996 0.01 . 3 . . . . . 3 DT H72 . 53690 1
32 . 1 . 1 3 3 DT H73 H 1 1.996 0.01 . 3 . . . . . 3 DT H73 . 53690 1
33 . 1 . 1 3 3 DT P P 31 -3.704 0.05 . 1 . . . . . 3 DT P . 53690 1
34 . 1 . 1 4 4 DT H1' H 1 6.043 0.01 . 1 . . . . . 4 DT H1' . 53690 1
35 . 1 . 1 4 4 DT H2' H 1 2.022 0.01 . 1 . . . . . 4 DT H2' . 53690 1
36 . 1 . 1 4 4 DT H2'' H 1 2.314 0.01 . 1 . . . . . 4 DT H2'' . 53690 1
37 . 1 . 1 4 4 DT H3' H 1 4.702 0.01 . 1 . . . . . 4 DT H3' . 53690 1
38 . 1 . 1 4 4 DT H4' H 1 4.041 0.01 . 1 . . . . . 4 DT H4' . 53690 1
39 . 1 . 1 4 4 DT H5' H 1 4.116 0.01 . 2 . . . . . 4 DT H5' . 53690 1
40 . 1 . 1 4 4 DT H6 H 1 7.428 0.01 . 1 . . . . . 4 DT H6 . 53690 1
41 . 1 . 1 4 4 DT H71 H 1 1.684 0.01 . 3 . . . . . 4 DT H71 . 53690 1
42 . 1 . 1 4 4 DT H72 H 1 1.684 0.01 . 3 . . . . . 4 DT H72 . 53690 1
43 . 1 . 1 4 4 DT H73 H 1 1.684 0.01 . 3 . . . . . 4 DT H73 . 53690 1
44 . 1 . 1 4 4 DT P P 31 -4.434 0.05 . 1 . . . . . 4 DT P . 53690 1
45 . 1 . 1 5 5 DT H1' H 1 5.986 0.01 . 1 . . . . . 5 DT H1' . 53690 1
46 . 1 . 1 5 5 DT H2' H 1 2.035 0.01 . 1 . . . . . 5 DT H2' . 53690 1
47 . 1 . 1 5 5 DT H2'' H 1 2.360 0.01 . 1 . . . . . 5 DT H2'' . 53690 1
48 . 1 . 1 5 5 DT H3' H 1 4.697 0.01 . 1 . . . . . 5 DT H3' . 53690 1
49 . 1 . 1 5 5 DT H4' H 1 3.967 0.01 . 1 . . . . . 5 DT H4' . 53690 1
50 . 1 . 1 5 5 DT H5' H 1 3.643 0.01 . 2 . . . . . 5 DT H5' . 53690 1
51 . 1 . 1 5 5 DT H5'' H 1 3.157 0.01 . 2 . . . . . 5 DT H5'' . 53690 1
52 . 1 . 1 5 5 DT H6 H 1 7.323 0.01 . 1 . . . . . 5 DT H6 . 53690 1
53 . 1 . 1 5 5 DT H71 H 1 1.599 0.01 . 3 . . . . . 5 DT H71 . 53690 1
54 . 1 . 1 5 5 DT H72 H 1 1.599 0.01 . 3 . . . . . 5 DT H72 . 53690 1
55 . 1 . 1 5 5 DT H73 H 1 1.599 0.01 . 3 . . . . . 5 DT H73 . 53690 1
56 . 1 . 1 5 5 DT P P 31 -3.585 0.05 . 1 . . . . . 5 DT P . 53690 1
57 . 1 . 1 6 6 DG H1 H 1 12.115 0.01 . 1 . . . . . 6 DG H1 . 53690 1
58 . 1 . 1 6 6 DG H1' H 1 6.039 0.01 . 1 . . . . . 6 DG H1' . 53690 1
59 . 1 . 1 6 6 DG H2' H 1 3.393 0.01 . 1 . . . . . 6 DG H2' . 53690 1
60 . 1 . 1 6 6 DG H2'' H 1 2.753 0.01 . 1 . . . . . 6 DG H2'' . 53690 1
61 . 1 . 1 6 6 DG H3' H 1 4.871 0.01 . 1 . . . . . 6 DG H3' . 53690 1
62 . 1 . 1 6 6 DG H4' H 1 4.414 0.01 . 1 . . . . . 6 DG H4' . 53690 1
63 . 1 . 1 6 6 DG H5' H 1 4.375 0.01 . 2 . . . . . 6 DG H5' . 53690 1
64 . 1 . 1 6 6 DG H5'' H 1 4.151 0.01 . 2 . . . . . 6 DG H5'' . 53690 1
65 . 1 . 1 6 6 DG H8 H 1 7.486 0.01 . 1 . . . . . 6 DG H8 . 53690 1
66 . 1 . 1 6 6 DG C5 C 13 117.263 0.20 . 1 . . . . . 6 DG C5 . 53690 1
67 . 1 . 1 6 6 DG P P 31 -4.345 0.05 . 1 . . . . . 6 DG P . 53690 1
68 . 1 . 1 7 7 DG H1 H 1 11.871 0.01 . 1 . . . . . 7 DG H1 . 53690 1
69 . 1 . 1 7 7 DG H1' H 1 6.040 0.01 . 1 . . . . . 7 DG H1' . 53690 1
70 . 1 . 1 7 7 DG H2' H 1 2.625 0.01 . 1 . . . . . 7 DG H2' . 53690 1
71 . 1 . 1 7 7 DG H2'' H 1 2.685 0.01 . 1 . . . . . 7 DG H2'' . 53690 1
72 . 1 . 1 7 7 DG H3' H 1 5.013 0.01 . 1 . . . . . 7 DG H3' . 53690 1
73 . 1 . 1 7 7 DG H4' H 1 4.529 0.01 . 1 . . . . . 7 DG H4' . 53690 1
74 . 1 . 1 7 7 DG H5' H 1 4.226 0.01 . 2 . . . . . 7 DG H5' . 53690 1
75 . 1 . 1 7 7 DG H8 H 1 8.015 0.01 . 1 . . . . . 7 DG H8 . 53690 1
76 . 1 . 1 7 7 DG C5 C 13 114.142 0.20 . 1 . . . . . 7 DG C5 . 53690 1
77 . 1 . 1 7 7 DG P P 31 -4.361 0.05 . 1 . . . . . 7 DG P . 53690 1
78 . 1 . 1 8 8 DT H1' H 1 5.658 0.01 . 1 . . . . . 8 DT H1' . 53690 1
79 . 1 . 1 8 8 DT H2' H 1 1.434 0.01 . 1 . . . . . 8 DT H2' . 53690 1
80 . 1 . 1 8 8 DT H2'' H 1 2.288 0.01 . 1 . . . . . 8 DT H2'' . 53690 1
81 . 1 . 1 8 8 DT H3' H 1 4.606 0.01 . 1 . . . . . 8 DT H3' . 53690 1
82 . 1 . 1 8 8 DT H4' H 1 4.062 0.01 . 1 . . . . . 8 DT H4' . 53690 1
83 . 1 . 1 8 8 DT H5' H 1 4.442 0.01 . 2 . . . . . 8 DT H5' . 53690 1
84 . 1 . 1 8 8 DT H6 H 1 7.068 0.01 . 1 . . . . . 8 DT H6 . 53690 1
85 . 1 . 1 8 8 DT H71 H 1 1.833 0.01 . 3 . . . . . 8 DT H71 . 53690 1
86 . 1 . 1 8 8 DT H72 H 1 1.833 0.01 . 3 . . . . . 8 DT H72 . 53690 1
87 . 1 . 1 8 8 DT H73 H 1 1.833 0.01 . 3 . . . . . 8 DT H73 . 53690 1
88 . 1 . 1 8 8 DT P P 31 -4.814 0.05 . 1 . . . . . 8 DT P . 53690 1
89 . 1 . 1 9 9 DT H1' H 1 5.561 0.01 . 1 . . . . . 9 DT H1' . 53690 1
90 . 1 . 1 9 9 DT H2' H 1 2.095 0.01 . 1 . . . . . 9 DT H2' . 53690 1
91 . 1 . 1 9 9 DT H2'' H 1 1.981 0.01 . 1 . . . . . 9 DT H2'' . 53690 1
92 . 1 . 1 9 9 DT H3' H 1 4.604 0.01 . 1 . . . . . 9 DT H3' . 53690 1
93 . 1 . 1 9 9 DT H4' H 1 3.558 0.01 . 1 . . . . . 9 DT H4' . 53690 1
94 . 1 . 1 9 9 DT H5' H 1 3.657 0.01 . 2 . . . . . 9 DT H5' . 53690 1
95 . 1 . 1 9 9 DT H5'' H 1 3.587 0.01 . 2 . . . . . 9 DT H5'' . 53690 1
96 . 1 . 1 9 9 DT H6 H 1 7.314 0.01 . 1 . . . . . 9 DT H6 . 53690 1
97 . 1 . 1 9 9 DT H71 H 1 1.611 0.01 . 3 . . . . . 9 DT H71 . 53690 1
98 . 1 . 1 9 9 DT H72 H 1 1.611 0.01 . 3 . . . . . 9 DT H72 . 53690 1
99 . 1 . 1 9 9 DT H73 H 1 1.611 0.01 . 3 . . . . . 9 DT H73 . 53690 1
100 . 1 . 1 9 9 DT P P 31 -4.471 0.05 . 1 . . . . . 9 DT P . 53690 1
101 . 1 . 1 10 10 DT H1' H 1 5.442 0.01 . 1 . . . . . 10 DT H1' . 53690 1
102 . 1 . 1 10 10 DT H2' H 1 1.800 0.01 . 1 . . . . . 10 DT H2' . 53690 1
103 . 1 . 1 10 10 DT H2'' H 1 2.397 0.01 . 1 . . . . . 10 DT H2'' . 53690 1
104 . 1 . 1 10 10 DT H3' H 1 4.774 0.01 . 1 . . . . . 10 DT H3' . 53690 1
105 . 1 . 1 10 10 DT H4' H 1 4.506 0.01 . 1 . . . . . 10 DT H4' . 53690 1
106 . 1 . 1 10 10 DT H5' H 1 4.060 0.01 . 2 . . . . . 10 DT H5' . 53690 1
107 . 1 . 1 10 10 DT H5'' H 1 4.011 0.01 . 2 . . . . . 10 DT H5'' . 53690 1
108 . 1 . 1 10 10 DT H6 H 1 7.231 0.01 . 1 . . . . . 10 DT H6 . 53690 1
109 . 1 . 1 10 10 DT H71 H 1 1.567 0.01 . 3 . . . . . 10 DT H71 . 53690 1
110 . 1 . 1 10 10 DT H72 H 1 1.567 0.01 . 3 . . . . . 10 DT H72 . 53690 1
111 . 1 . 1 10 10 DT H73 H 1 1.567 0.01 . 3 . . . . . 10 DT H73 . 53690 1
112 . 1 . 1 10 10 DT P P 31 -4.061 0.05 . 1 . . . . . 10 DT P . 53690 1
113 . 1 . 1 11 11 DT H1' H 1 6.271 0.01 . 1 . . . . . 11 DT H1' . 53690 1
114 . 1 . 1 11 11 DT H2' H 1 2.139 0.01 . 1 . . . . . 11 DT H2' . 53690 1
115 . 1 . 1 11 11 DT H2'' H 1 2.462 0.01 . 1 . . . . . 11 DT H2'' . 53690 1
116 . 1 . 1 11 11 DT H3' H 1 4.548 0.01 . 1 . . . . . 11 DT H3' . 53690 1
117 . 1 . 1 11 11 DT H4' H 1 3.069 0.01 . 1 . . . . . 11 DT H4' . 53690 1
118 . 1 . 1 11 11 DT H5' H 1 2.973 0.01 . 2 . . . . . 11 DT H5' . 53690 1
119 . 1 . 1 11 11 DT H5'' H 1 2.927 0.01 . 2 . . . . . 11 DT H5'' . 53690 1
120 . 1 . 1 11 11 DT H6 H 1 7.613 0.01 . 1 . . . . . 11 DT H6 . 53690 1
121 . 1 . 1 11 11 DT H71 H 1 1.796 0.01 . 3 . . . . . 11 DT H71 . 53690 1
122 . 1 . 1 11 11 DT H72 H 1 1.796 0.01 . 3 . . . . . 11 DT H72 . 53690 1
123 . 1 . 1 11 11 DT H73 H 1 1.796 0.01 . 3 . . . . . 11 DT H73 . 53690 1
124 . 1 . 1 11 11 DT P P 31 -5.765 0.05 . 1 . . . . . 11 DT P . 53690 1
125 . 1 . 1 12 12 DG H1 H 1 12.004 0.01 . 1 . . . . . 12 DG H1 . 53690 1
126 . 1 . 1 12 12 DG H1' H 1 6.129 0.01 . 1 . . . . . 12 DG H1' . 53690 1
127 . 1 . 1 12 12 DG H2' H 1 3.495 0.01 . 1 . . . . . 12 DG H2' . 53690 1
128 . 1 . 1 12 12 DG H2'' H 1 2.936 0.01 . 1 . . . . . 12 DG H2'' . 53690 1
129 . 1 . 1 12 12 DG H3' H 1 4.957 0.01 . 1 . . . . . 12 DG H3' . 53690 1
130 . 1 . 1 12 12 DG H4' H 1 4.486 0.01 . 1 . . . . . 12 DG H4' . 53690 1
131 . 1 . 1 12 12 DG H5' H 1 4.155 0.01 . 2 . . . . . 12 DG H5' . 53690 1
132 . 1 . 1 12 12 DG H8 H 1 7.628 0.01 . 1 . . . . . 12 DG H8 . 53690 1
133 . 1 . 1 12 12 DG C5 C 13 115.475 0.20 . 1 . . . . . 12 DG C5 . 53690 1
134 . 1 . 1 12 12 DG P P 31 -4.748 0.05 . 1 . . . . . 12 DG P . 53690 1
135 . 1 . 1 13 13 DG H1 H 1 11.850 0.01 . 1 . . . . . 13 DG H1 . 53690 1
136 . 1 . 1 13 13 DG H1' H 1 6.063 0.01 . 1 . . . . . 13 DG H1' . 53690 1
137 . 1 . 1 13 13 DG H2' H 1 2.680 0.01 . 1 . . . . . 13 DG H2' . 53690 1
138 . 1 . 1 13 13 DG H2'' H 1 2.398 0.01 . 1 . . . . . 13 DG H2'' . 53690 1
139 . 1 . 1 13 13 DG H3' H 1 5.177 0.01 . 1 . . . . . 13 DG H3' . 53690 1
140 . 1 . 1 13 13 DG H4' H 1 4.453 0.01 . 1 . . . . . 13 DG H4' . 53690 1
141 . 1 . 1 13 13 DG H5' H 1 4.306 0.01 . 2 . . . . . 13 DG H5' . 53690 1
142 . 1 . 1 13 13 DG H8 H 1 8.057 0.01 . 1 . . . . . 13 DG H8 . 53690 1
143 . 1 . 1 13 13 DG C5 C 13 114.861 0.20 . 1 . . . . . 13 DG C5 . 53690 1
144 . 1 . 1 13 13 DG P P 31 -4.583 0.05 . 1 . . . . . 13 DG P . 53690 1
145 . 1 . 1 14 14 DT H1' H 1 6.358 0.01 . 1 . . . . . 14 DT H1' . 53690 1
146 . 1 . 1 14 14 DT H2' H 1 2.243 0.01 . 1 . . . . . 14 DT H2' . 53690 1
147 . 1 . 1 14 14 DT H2'' H 1 2.493 0.01 . 1 . . . . . 14 DT H2'' . 53690 1
148 . 1 . 1 14 14 DT H3' H 1 4.893 0.01 . 1 . . . . . 14 DT H3' . 53690 1
149 . 1 . 1 14 14 DT H4' H 1 4.492 0.01 . 1 . . . . . 14 DT H4' . 53690 1
150 . 1 . 1 14 14 DT H5' H 1 4.244 0.01 . 2 . . . . . 14 DT H5' . 53690 1
151 . 1 . 1 14 14 DT H5'' H 1 4.151 0.01 . 2 . . . . . 14 DT H5'' . 53690 1
152 . 1 . 1 14 14 DT H6 H 1 7.897 0.01 . 1 . . . . . 14 DT H6 . 53690 1
153 . 1 . 1 14 14 DT H71 H 1 2.086 0.01 . 3 . . . . . 14 DT H71 . 53690 1
154 . 1 . 1 14 14 DT H72 H 1 2.086 0.01 . 3 . . . . . 14 DT H72 . 53690 1
155 . 1 . 1 14 14 DT H73 H 1 2.086 0.01 . 3 . . . . . 14 DT H73 . 53690 1
156 . 1 . 1 14 14 DT P P 31 -3.337 0.05 . 1 . . . . . 14 DT P . 53690 1
157 . 1 . 1 15 15 DT H1' H 1 6.091 0.01 . 1 . . . . . 15 DT H1' . 53690 1
158 . 1 . 1 15 15 DT H2' H 1 1.871 0.01 . 1 . . . . . 15 DT H2' . 53690 1
159 . 1 . 1 15 15 DT H2'' H 1 2.461 0.01 . 1 . . . . . 15 DT H2'' . 53690 1
160 . 1 . 1 15 15 DT H3' H 1 4.845 0.01 . 1 . . . . . 15 DT H3' . 53690 1
161 . 1 . 1 15 15 DT H4' H 1 4.307 0.01 . 1 . . . . . 15 DT H4' . 53690 1
162 . 1 . 1 15 15 DT H5' H 1 4.084 0.01 . 2 . . . . . 15 DT H5' . 53690 1
163 . 1 . 1 15 15 DT H6 H 1 7.545 0.01 . 1 . . . . . 15 DT H6 . 53690 1
164 . 1 . 1 15 15 DT H71 H 1 1.695 0.01 . 3 . . . . . 15 DT H71 . 53690 1
165 . 1 . 1 15 15 DT H72 H 1 1.695 0.01 . 3 . . . . . 15 DT H72 . 53690 1
166 . 1 . 1 15 15 DT H73 H 1 1.695 0.01 . 3 . . . . . 15 DT H73 . 53690 1
167 . 1 . 1 15 15 DT P P 31 -3.903 0.05 . 1 . . . . . 15 DT P . 53690 1
168 . 1 . 1 16 16 DT H1' H 1 6.132 0.01 . 1 . . . . . 16 DT H1' . 53690 1
169 . 1 . 1 16 16 DT H2' H 1 2.430 0.01 . 1 . . . . . 16 DT H2' . 53690 1
170 . 1 . 1 16 16 DT H2'' H 1 2.557 0.01 . 1 . . . . . 16 DT H2'' . 53690 1
171 . 1 . 1 16 16 DT H3' H 1 4.957 0.01 . 1 . . . . . 16 DT H3' . 53690 1
172 . 1 . 1 16 16 DT H4' H 1 4.252 0.01 . 1 . . . . . 16 DT H4' . 53690 1
173 . 1 . 1 16 16 DT H5' H 1 3.969 0.01 . 2 . . . . . 16 DT H5' . 53690 1
174 . 1 . 1 16 16 DT H6 H 1 7.431 0.01 . 1 . . . . . 16 DT H6 . 53690 1
175 . 1 . 1 16 16 DT H71 H 1 1.448 0.01 . 3 . . . . . 16 DT H71 . 53690 1
176 . 1 . 1 16 16 DT H72 H 1 1.448 0.01 . 3 . . . . . 16 DT H72 . 53690 1
177 . 1 . 1 16 16 DT H73 H 1 1.448 0.01 . 3 . . . . . 16 DT H73 . 53690 1
178 . 1 . 1 16 16 DT P P 31 -4.061 0.05 . 1 . . . . . 16 DT P . 53690 1
179 . 1 . 1 17 17 DG H1 H 1 11.623 0.01 . 1 . . . . . 17 DG H1 . 53690 1
180 . 1 . 1 17 17 DG H1' H 1 6.101 0.01 . 1 . . . . . 17 DG H1' . 53690 1
181 . 1 . 1 17 17 DG H2' H 1 3.591 0.01 . 1 . . . . . 17 DG H2' . 53690 1
182 . 1 . 1 17 17 DG H2'' H 1 3.027 0.01 . 1 . . . . . 17 DG H2'' . 53690 1
183 . 1 . 1 17 17 DG H3' H 1 5.000 0.01 . 1 . . . . . 17 DG H3' . 53690 1
184 . 1 . 1 17 17 DG H4' H 1 4.473 0.01 . 1 . . . . . 17 DG H4' . 53690 1
185 . 1 . 1 17 17 DG H5' H 1 4.405 0.01 . 2 . . . . . 17 DG H5' . 53690 1
186 . 1 . 1 17 17 DG H5'' H 1 4.313 0.01 . 2 . . . . . 17 DG H5'' . 53690 1
187 . 1 . 1 17 17 DG H8 H 1 7.439 0.01 . 1 . . . . . 17 DG H8 . 53690 1
188 . 1 . 1 17 17 DG C5 C 13 116.736 0.20 . 1 . . . . . 17 DG C5 . 53690 1
189 . 1 . 1 17 17 DG P P 31 -2.917 0.05 . 1 . . . . . 17 DG P . 53690 1
190 . 1 . 1 18 18 DG H1 H 1 11.720 0.01 . 1 . . . . . 18 DG H1 . 53690 1
191 . 1 . 1 18 18 DG H1' H 1 6.267 0.01 . 1 . . . . . 18 DG H1' . 53690 1
192 . 1 . 1 18 18 DG H2' H 1 2.657 0.01 . 1 . . . . . 18 DG H2' . 53690 1
193 . 1 . 1 18 18 DG H2'' H 1 2.420 0.01 . 1 . . . . . 18 DG H2'' . 53690 1
194 . 1 . 1 18 18 DG H3' H 1 4.803 0.01 . 1 . . . . . 18 DG H3' . 53690 1
195 . 1 . 1 18 18 DG H4' H 1 4.283 0.01 . 1 . . . . . 18 DG H4' . 53690 1
196 . 1 . 1 18 18 DG H5' H 1 4.332 0.01 . 2 . . . . . 18 DG H5' . 53690 1
197 . 1 . 1 18 18 DG H5'' H 1 4.222 0.01 . 2 . . . . . 18 DG H5'' . 53690 1
198 . 1 . 1 18 18 DG H8 H 1 8.259 0.01 . 1 . . . . . 18 DG H8 . 53690 1
199 . 1 . 1 18 18 DG C5 C 13 114.547 0.20 . 1 . . . . . 18 DG C5 . 53690 1
200 . 1 . 1 18 18 DG P P 31 -4.250 0.05 . 1 . . . . . 18 DG P . 53690 1
stop_
save_