Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 52355
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name list_2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
2 '2D 1H-1H NOESY' . . . 52355 2
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 . . 52355 2
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 DC H1' H 1 5.794 0.01 . 1 . . . . . 1 DC H1' . 52355 2
2 . 1 . 1 1 1 DC H2' H 1 2.023 0.01 . 1 . . . . . 1 DC H2' . 52355 2
3 . 1 . 1 1 1 DC H2'' H 1 2.465 0.01 . 1 . . . . . 1 DC H2'' . 52355 2
4 . 1 . 1 1 1 DC H3' H 1 4.746 0.01 . 1 . . . . . 1 DC H3' . 52355 2
5 . 1 . 1 1 1 DC H5 H 1 5.963 0.01 . 1 . . . . . 1 DC H5 . 52355 2
6 . 1 . 1 1 1 DC H6 H 1 7.679 0.01 . 1 . . . . . 1 DC H6 . 52355 2
7 . 1 . 1 2 2 DG H1 H 1 13.125 0.01 . 1 . . . . . 2 DG H1 . 52355 2
8 . 1 . 1 2 2 DG H1' H 1 5.932 0.01 . 1 . . . . . 2 DG H1' . 52355 2
9 . 1 . 1 2 2 DG H2' H 1 2.737 0.01 . 1 . . . . . 2 DG H2' . 52355 2
10 . 1 . 1 2 2 DG H2'' H 1 2.759 0.01 . 1 . . . . . 2 DG H2'' . 52355 2
11 . 1 . 1 2 2 DG H3' H 1 5.015 0.01 . 1 . . . . . 2 DG H3' . 52355 2
12 . 1 . 1 2 2 DG H8 H 1 8.024 0.01 . 1 . . . . . 2 DG H8 . 52355 2
13 . 1 . 1 2 2 DG P P 31 -3.990 0.05 . 1 . . . . . 2 DG P . 52355 2
14 . 1 . 1 3 3 DC H1' H 1 6.054 0.01 . 1 . . . . . 3 DC H1' . 52355 2
15 . 1 . 1 3 3 DC H2' H 1 2.145 0.01 . 1 . . . . . 3 DC H2' . 52355 2
16 . 1 . 1 3 3 DC H2'' H 1 2.496 0.01 . 1 . . . . . 3 DC H2'' . 52355 2
17 . 1 . 1 3 3 DC H3' H 1 4.894 0.01 . 1 . . . . . 3 DC H3' . 52355 2
18 . 1 . 1 3 3 DC H5 H 1 5.456 0.01 . 1 . . . . . 3 DC H5 . 52355 2
19 . 1 . 1 3 3 DC H6 H 1 7.478 0.01 . 1 . . . . . 3 DC H6 . 52355 2
20 . 1 . 1 3 3 DC H41 H 1 8.247 0.01 . 1 . . . . . 3 DC H41 . 52355 2
21 . 1 . 1 3 3 DC H42 H 1 6.451 0.01 . 1 . . . . . 3 DC H42 . 52355 2
22 . 1 . 1 3 3 DC P P 31 -4.074 0.05 . 1 . . . . . 3 DC P . 52355 2
23 . 1 . 1 4 4 DC H1' H 1 5.604 0.01 . 1 . . . . . 4 DC H1' . 52355 2
24 . 1 . 1 4 4 DC H2' H 1 1.808 0.01 . 1 . . . . . 4 DC H2' . 52355 2
25 . 1 . 1 4 4 DC H2'' H 1 2.205 0.01 . 1 . . . . . 4 DC H2'' . 52355 2
26 . 1 . 1 4 4 DC H3' H 1 4.824 0.01 . 1 . . . . . 4 DC H3' . 52355 2
27 . 1 . 1 4 4 DC H5 H 1 5.616 0.01 . 1 . . . . . 4 DC H5 . 52355 2
28 . 1 . 1 4 4 DC H6 H 1 7.359 0.01 . 1 . . . . . 4 DC H6 . 52355 2
29 . 1 . 1 4 4 DC H41 H 1 8.520 0.01 . 1 . . . . . 4 DC H41 . 52355 2
30 . 1 . 1 4 4 DC H42 H 1 6.938 0.01 . 1 . . . . . 4 DC H42 . 52355 2
31 . 1 . 1 5 5 DG H1 H 1 12.911 0.01 . 1 . . . . . 5 DG H1 . 52355 2
32 . 1 . 1 5 5 DG H1' H 1 5.949 0.01 . 1 . . . . . 5 DG H1' . 52355 2
33 . 1 . 1 5 5 DG H2' H 1 2.192 0.01 . 1 . . . . . 5 DG H2' . 52355 2
34 . 1 . 1 5 5 DG H2'' H 1 2.438 0.01 . 1 . . . . . 5 DG H2'' . 52355 2
35 . 1 . 1 5 5 DG H3' H 1 4.974 0.01 . 1 . . . . . 5 DG H3' . 52355 2
36 . 1 . 1 6 6 DG H1' H 1 5.758 0.01 . 1 . . . . . 6 DG H1' . 52355 2
37 . 1 . 1 6 6 DG H2' H 1 3.105 0.01 . 2 . . . . . 6 DG H2' . 52355 2
38 . 1 . 1 6 6 DG H2'' H 1 3.184 0.01 . 2 . . . . . 6 DG H2'' . 52355 2
39 . 1 . 1 6 6 DG H3' H 1 5.258 0.01 . 1 . . . . . 6 DG H3' . 52355 2
40 . 1 . 1 6 6 DG H8 H 1 8.313 0.01 . 1 . . . . . 6 DG H8 . 52355 2
41 . 1 . 1 7 7 DG H1 H 1 11.646 0.01 . 1 . . . . . 7 DG H1 . 52355 2
42 . 1 . 1 7 7 DG H1' H 1 6.394 0.01 . 1 . . . . . 7 DG H1' . 52355 2
43 . 1 . 1 7 7 DG H2' H 1 3.226 0.01 . 2 . . . . . 7 DG H2' . 52355 2
44 . 1 . 1 7 7 DG H2'' H 1 3.014 0.01 . 2 . . . . . 7 DG H2'' . 52355 2
45 . 1 . 1 7 7 DG H3' H 1 4.898 0.01 . 1 . . . . . 7 DG H3' . 52355 2
46 . 1 . 1 7 7 DG H4' H 1 4.527 0.01 . 1 . . . . . 7 DG H4' . 52355 2
47 . 1 . 1 7 7 DG H8 H 1 8.460 0.01 . 1 . . . . . 7 DG H8 . 52355 2
48 . 1 . 1 7 7 DG P P 31 -3.813 0.05 . 1 . . . . . 7 DG P . 52355 2
49 . 1 . 1 8 8 DG H1 H 1 12.777 0.01 . 1 . . . . . 8 DG H1 . 52355 2
50 . 1 . 1 8 8 DG H1' H 1 6.012 0.01 . 1 . . . . . 8 DG H1' . 52355 2
51 . 1 . 1 8 8 DG H2' H 1 2.565 0.01 . 2 . . . . . 8 DG H2' . 52355 2
52 . 1 . 1 8 8 DG H2'' H 1 2.838 0.01 . 2 . . . . . 8 DG H2'' . 52355 2
53 . 1 . 1 8 8 DG H3' H 1 4.890 0.01 . 1 . . . . . 8 DG H3' . 52355 2
54 . 1 . 1 8 8 DG H8 H 1 7.760 0.01 . 1 . . . . . 8 DG H8 . 52355 2
55 . 1 . 1 9 9 DT H1' H 1 6.069 0.01 . 1 . . . . . 9 DT H1' . 52355 2
56 . 1 . 1 9 9 DT H2' H 1 1.864 0.01 . 2 . . . . . 9 DT H2' . 52355 2
57 . 1 . 1 9 9 DT H2'' H 1 2.423 0.01 . 2 . . . . . 9 DT H2'' . 52355 2
58 . 1 . 1 9 9 DT H3 H 1 13.910 0.01 . 1 . . . . . 9 DT H3 . 52355 2
59 . 1 . 1 9 9 DT H3' H 1 4.786 0.01 . 1 . . . . . 9 DT H3' . 52355 2
60 . 1 . 1 9 9 DT H6 H 1 7.438 0.01 . 1 . . . . . 9 DT H6 . 52355 2
61 . 1 . 1 9 9 DT H71 H 1 1.375 0.01 . 3 . . . . . 9 DT H71 . 52355 2
62 . 1 . 1 9 9 DT H72 H 1 1.375 0.01 . 3 . . . . . 9 DT H72 . 52355 2
63 . 1 . 1 9 9 DT H73 H 1 1.375 0.01 . 3 . . . . . 9 DT H73 . 52355 2
64 . 1 . 1 10 10 DC H1' H 1 6.015 0.01 . 1 . . . . . 10 DC H1' . 52355 2
65 . 1 . 1 10 10 DC H2' H 1 1.758 0.01 . 1 . . . . . 10 DC H2' . 52355 2
66 . 1 . 1 10 10 DC H2'' H 1 2.281 0.01 . 1 . . . . . 10 DC H2'' . 52355 2
67 . 1 . 1 10 10 DC H3' H 1 4.836 0.01 . 1 . . . . . 10 DC H3' . 52355 2
68 . 1 . 1 10 10 DC H5 H 1 5.441 0.01 . 1 . . . . . 10 DC H5 . 52355 2
69 . 1 . 1 10 10 DC H6 H 1 7.234 0.01 . 1 . . . . . 10 DC H6 . 52355 2
70 . 1 . 1 10 10 DC H41 H 1 8.505 0.01 . 1 . . . . . 10 DC H41 . 52355 2
71 . 1 . 1 10 10 DC H42 H 1 7.157 0.01 . 1 . . . . . 10 DC H42 . 52355 2
72 . 1 . 1 11 11 DG H1' H 1 5.345 0.01 . 1 . . . . . 11 DG H1' . 52355 2
73 . 1 . 1 11 11 DG H2' H 1 2.704 0.01 . 1 . . . . . 11 DG H2' . 52355 2
74 . 1 . 1 11 11 DG H2'' H 1 2.566 0.01 . 1 . . . . . 11 DG H2'' . 52355 2
75 . 1 . 1 11 11 DG H3' H 1 4.927 0.01 . 1 . . . . . 11 DG H3' . 52355 2
76 . 1 . 1 11 11 DG H8 H 1 8.138 0.01 . 1 . . . . . 11 DG H8 . 52355 2
77 . 1 . 1 12 12 DA H1' H 1 5.974 0.01 . 1 . . . . . 12 DA H1' . 52355 2
78 . 1 . 1 12 12 DA H2' H 1 2.256 0.01 . 1 . . . . . 12 DA H2' . 52355 2
79 . 1 . 1 12 12 DA H2'' H 1 2.324 0.01 . 1 . . . . . 12 DA H2'' . 52355 2
80 . 1 . 1 12 12 DA H3' H 1 4.580 0.01 . 1 . . . . . 12 DA H3' . 52355 2
81 . 1 . 1 12 12 DA H5' H 1 3.392 0.01 . 2 . . . . . 12 DA H5' . 52355 2
82 . 1 . 1 12 12 DA H5'' H 1 3.086 0.01 . 2 . . . . . 12 DA H5'' . 52355 2
83 . 1 . 1 12 12 DA H8 H 1 8.136 0.01 . 1 . . . . . 12 DA H8 . 52355 2
84 . 1 . 1 13 13 DA H1' H 1 6.273 0.01 . 1 . . . . . 13 DA H1' . 52355 2
85 . 1 . 1 13 13 DA H2' H 1 2.722 0.01 . 2 . . . . . 13 DA H2' . 52355 2
86 . 1 . 1 13 13 DA H2'' H 1 2.855 0.01 . 2 . . . . . 13 DA H2'' . 52355 2
87 . 1 . 1 14 14 DG H1 H 1 12.977 0.01 . 1 . . . . . 14 DG H1 . 52355 2
88 . 1 . 1 14 14 DG H1' H 1 5.026 0.01 . 1 . . . . . 14 DG H1' . 52355 2
89 . 1 . 1 14 14 DG H2' H 1 2.651 0.01 . 1 . . . . . 14 DG H2' . 52355 2
90 . 1 . 1 14 14 DG H2'' H 1 2.546 0.01 . 1 . . . . . 14 DG H2'' . 52355 2
91 . 1 . 1 14 14 DG H3' H 1 4.903 0.01 . 1 . . . . . 14 DG H3' . 52355 2
92 . 1 . 1 14 14 DG H8 H 1 8.081 0.01 . 1 . . . . . 14 DG H8 . 52355 2
93 . 1 . 1 15 15 DA H1' H 1 6.253 0.01 . 1 . . . . . 15 DA H1' . 52355 2
94 . 1 . 1 15 15 DA H2 H 1 8.055 0.01 . 1 . . . . . 15 DA H2 . 52355 2
95 . 1 . 1 15 15 DA H2' H 1 2.581 0.01 . 1 . . . . . 15 DA H2' . 52355 2
96 . 1 . 1 15 15 DA H2'' H 1 2.777 0.01 . 1 . . . . . 15 DA H2'' . 52355 2
97 . 1 . 1 15 15 DA H3' H 1 5.038 0.01 . 1 . . . . . 15 DA H3' . 52355 2
98 . 1 . 1 15 15 DA P P 31 -3.416 0.05 . 1 . . . . . 15 DA P . 52355 2
99 . 1 . 1 16 16 DC H1' H 1 5.930 0.01 . 1 . . . . . 16 DC H1' . 52355 2
100 . 1 . 1 16 16 DC H2' H 1 1.974 0.01 . 1 . . . . . 16 DC H2' . 52355 2
101 . 1 . 1 16 16 DC H2'' H 1 2.317 0.01 . 1 . . . . . 16 DC H2'' . 52355 2
102 . 1 . 1 16 16 DC H3' H 1 4.814 0.01 . 1 . . . . . 16 DC H3' . 52355 2
103 . 1 . 1 16 16 DC H5 H 1 5.001 0.01 . 1 . . . . . 16 DC H5 . 52355 2
104 . 1 . 1 16 16 DC H6 H 1 7.245 0.01 . 1 . . . . . 16 DC H6 . 52355 2
105 . 1 . 1 16 16 DC H41 H 1 8.106 0.01 . 1 . . . . . 16 DC H41 . 52355 2
106 . 1 . 1 16 16 DC H42 H 1 6.583 0.01 . 1 . . . . . 16 DC H42 . 52355 2
107 . 1 . 1 17 17 DT H1' H 1 5.428 0.01 . 1 . . . . . 17 DT H1' . 52355 2
108 . 1 . 1 17 17 DT H2' H 1 0.615 0.01 . 1 . . . . . 17 DT H2' . 52355 2
109 . 1 . 1 17 17 DT H2'' H 1 1.582 0.01 . 1 . . . . . 17 DT H2'' . 52355 2
110 . 1 . 1 17 17 DT H3 H 1 10.801 0.01 . 1 . . . . . 17 DT H3 . 52355 2
111 . 1 . 1 17 17 DT H3' H 1 4.397 0.01 . 1 . . . . . 17 DT H3' . 52355 2
112 . 1 . 1 17 17 DT H4' H 1 4.168 0.01 . 1 . . . . . 17 DT H4' . 52355 2
113 . 1 . 1 17 17 DT H5' H 1 4.122 0.01 . 2 . . . . . 17 DT H5' . 52355 2
114 . 1 . 1 17 17 DT H5'' H 1 3.702 0.01 . 2 . . . . . 17 DT H5'' . 52355 2
115 . 1 . 1 17 17 DT H6 H 1 6.974 0.01 . 1 . . . . . 17 DT H6 . 52355 2
116 . 1 . 1 17 17 DT H71 H 1 1.340 0.01 . 3 . . . . . 17 DT H71 . 52355 2
117 . 1 . 1 17 17 DT H72 H 1 1.340 0.01 . 3 . . . . . 17 DT H72 . 52355 2
118 . 1 . 1 17 17 DT H73 H 1 1.340 0.01 . 3 . . . . . 17 DT H73 . 52355 2
119 . 1 . 1 17 17 DT P P 31 -4.923 0.05 . 1 . . . . . 17 DT P . 52355 2
120 . 1 . 1 18 18 DG H1 H 1 12.889 0.01 . 1 . . . . . 18 DG H1 . 52355 2
121 . 1 . 1 18 18 DG H1' H 1 5.383 0.01 . 1 . . . . . 18 DG H1' . 52355 2
122 . 1 . 1 18 18 DG H2' H 1 2.841 0.01 . 1 . . . . . 18 DG H2' . 52355 2
123 . 1 . 1 18 18 DG H2'' H 1 2.495 0.01 . 1 . . . . . 18 DG H2'' . 52355 2
124 . 1 . 1 18 18 DG H3' H 1 4.973 0.01 . 1 . . . . . 18 DG H3' . 52355 2
125 . 1 . 1 18 18 DG H8 H 1 7.974 0.01 . 1 . . . . . 18 DG H8 . 52355 2
126 . 1 . 1 19 19 DC H1' H 1 6.205 0.01 . 1 . . . . . 19 DC H1' . 52355 2
127 . 1 . 1 19 19 DC H2' H 1 2.013 0.01 . 1 . . . . . 19 DC H2' . 52355 2
128 . 1 . 1 19 19 DC H2'' H 1 2.350 0.01 . 1 . . . . . 19 DC H2'' . 52355 2
129 . 1 . 1 19 19 DC H3' H 1 4.952 0.01 . 1 . . . . . 19 DC H3' . 52355 2
130 . 1 . 1 19 19 DC H4' H 1 4.413 0.01 . 1 . . . . . 19 DC H4' . 52355 2
131 . 1 . 1 19 19 DC H5 H 1 5.861 0.01 . 1 . . . . . 19 DC H5 . 52355 2
132 . 1 . 1 19 19 DC H6 H 1 7.579 0.01 . 1 . . . . . 19 DC H6 . 52355 2
133 . 1 . 1 19 19 DC H41 H 1 7.784 0.01 . 1 . . . . . 19 DC H41 . 52355 2
134 . 1 . 1 19 19 DC H42 H 1 6.698 0.01 . 1 . . . . . 19 DC H42 . 52355 2
135 . 1 . 1 19 19 DC P P 31 -2.808 0.05 . 1 . . . . . 19 DC P . 52355 2
136 . 1 . 1 20 20 DC H1' H 1 6.438 0.01 . 1 . . . . . 20 DC H1' . 52355 2
137 . 1 . 1 20 20 DC H2' H 1 2.812 0.01 . 2 . . . . . 20 DC H2' . 52355 2
138 . 1 . 1 20 20 DC H2'' H 1 2.772 0.01 . 2 . . . . . 20 DC H2'' . 52355 2
139 . 1 . 1 20 20 DC H3' H 1 5.156 0.01 . 1 . . . . . 20 DC H3' . 52355 2
140 . 1 . 1 20 20 DC H5 H 1 5.873 0.01 . 1 . . . . . 20 DC H5 . 52355 2
141 . 1 . 1 20 20 DC H5'' H 1 4.065 0.01 . 2 . . . . . 20 DC H5'' . 52355 2
142 . 1 . 1 20 20 DC H6 H 1 7.874 0.01 . 1 . . . . . 20 DC H6 . 52355 2
143 . 1 . 1 20 20 DC H41 H 1 8.970 0.01 . 1 . . . . . 20 DC H41 . 52355 2
144 . 1 . 1 20 20 DC H42 H 1 7.060 0.01 . 1 . . . . . 20 DC H42 . 52355 2
145 . 1 . 1 20 20 DC P P 31 -4.888 0.05 . 1 . . . . . 20 DC P . 52355 2
146 . 1 . 1 21 21 DA H1' H 1 6.323 0.01 . 1 . . . . . 21 DA H1' . 52355 2
147 . 1 . 1 21 21 DA H2 H 1 8.180 0.01 . 1 . . . . . 21 DA H2 . 52355 2
148 . 1 . 1 21 21 DA H2' H 1 2.134 0.01 . 1 . . . . . 21 DA H2' . 52355 2
149 . 1 . 1 21 21 DA H2'' H 1 2.808 0.01 . 1 . . . . . 21 DA H2'' . 52355 2
150 . 1 . 1 21 21 DA H3' H 1 5.200 0.01 . 1 . . . . . 21 DA H3' . 52355 2
151 . 1 . 1 21 21 DA H4' H 1 4.365 0.01 . 1 . . . . . 21 DA H4' . 52355 2
152 . 1 . 1 21 21 DA H5' H 1 4.469 0.01 . 2 . . . . . 21 DA H5' . 52355 2
153 . 1 . 1 21 21 DA H5'' H 1 4.208 0.01 . 2 . . . . . 21 DA H5'' . 52355 2
154 . 1 . 1 21 21 DA H8 H 1 7.889 0.01 . 1 . . . . . 21 DA H8 . 52355 2
155 . 1 . 1 21 21 DA P P 31 -2.949 0.05 . 1 . . . . . 21 DA P . 52355 2
156 . 1 . 1 22 22 DG H1 H 1 13.154 0.01 . 1 . . . . . 22 DG H1 . 52355 2
157 . 1 . 1 22 22 DG H1' H 1 5.965 0.01 . 1 . . . . . 22 DG H1' . 52355 2
158 . 1 . 1 22 22 DG H2' H 1 2.487 0.01 . 2 . . . . . 22 DG H2' . 52355 2
159 . 1 . 1 22 22 DG H2'' H 1 2.537 0.01 . 2 . . . . . 22 DG H2'' . 52355 2
160 . 1 . 1 22 22 DG H3' H 1 4.693 0.01 . 1 . . . . . 22 DG H3' . 52355 2
161 . 1 . 1 22 22 DG H8 H 1 8.006 0.01 . 1 . . . . . 22 DG H8 . 52355 2
162 . 1 . 1 22 22 DG P P 31 -3.880 0.05 . 1 . . . . . 22 DG P . 52355 2
163 . 1 . 1 23 23 DC H1' H 1 5.488 0.01 . 1 . . . . . 23 DC H1' . 52355 2
164 . 1 . 1 23 23 DC H2' H 1 1.813 0.01 . 1 . . . . . 23 DC H2' . 52355 2
165 . 1 . 1 23 23 DC H2'' H 1 2.293 0.01 . 1 . . . . . 23 DC H2'' . 52355 2
166 . 1 . 1 23 23 DC H3' H 1 4.468 0.01 . 1 . . . . . 23 DC H3' . 52355 2
167 . 1 . 1 23 23 DC H5 H 1 6.223 0.01 . 1 . . . . . 23 DC H5 . 52355 2
168 . 1 . 1 23 23 DC H6 H 1 7.650 0.01 . 1 . . . . . 23 DC H6 . 52355 2
169 . 1 . 1 23 23 DC H41 H 1 8.848 0.01 . 1 . . . . . 23 DC H41 . 52355 2
170 . 1 . 1 23 23 DC P P 31 -3.495 0.05 . 1 . . . . . 23 DC P . 52355 2
171 . 1 . 1 24 24 DG H1 H 1 13.186 0.01 . 1 . . . . . 24 DG H1 . 52355 2
172 . 1 . 1 24 24 DG H1' H 1 5.699 0.01 . 1 . . . . . 24 DG H1' . 52355 2
173 . 1 . 1 24 24 DG H2' H 1 2.563 0.01 . 1 . . . . . 24 DG H2' . 52355 2
174 . 1 . 1 24 24 DG H2'' H 1 2.795 0.01 . 1 . . . . . 24 DG H2'' . 52355 2
175 . 1 . 1 24 24 DG H3' H 1 4.746 0.01 . 1 . . . . . 24 DG H3' . 52355 2
176 . 1 . 1 24 24 DG H8 H 1 7.680 0.01 . 1 . . . . . 24 DG H8 . 52355 2
177 . 1 . 1 24 24 DG P P 31 -3.798 0.05 . 1 . . . . . 24 DG P . 52355 2
178 . 1 . 1 25 25 DG H1 H 1 12.547 0.01 . 1 . . . . . 25 DG H1 . 52355 2
179 . 1 . 1 25 25 DG H1' H 1 5.185 0.01 . 1 . . . . . 25 DG H1' . 52355 2
180 . 1 . 1 25 25 DG H2' H 1 2.481 0.01 . 1 . . . . . 25 DG H2' . 52355 2
181 . 1 . 1 25 25 DG H2'' H 1 2.315 0.01 . 1 . . . . . 25 DG H2'' . 52355 2
182 . 1 . 1 25 25 DG H3' H 1 4.786 0.01 . 1 . . . . . 25 DG H3' . 52355 2
183 . 1 . 1 25 25 DG H8 H 1 7.758 0.01 . 1 . . . . . 25 DG H8 . 52355 2
184 . 1 . 1 26 26 DC H1' H 1 6.079 0.01 . 1 . . . . . 26 DC H1' . 52355 2
185 . 1 . 1 26 26 DC H2' H 1 2.219 0.01 . 2 . . . . . 26 DC H2' . 52355 2
186 . 1 . 1 26 26 DC H2'' H 1 2.440 0.01 . 2 . . . . . 26 DC H2'' . 52355 2
187 . 1 . 1 26 26 DC H3' H 1 4.727 0.01 . 1 . . . . . 26 DC H3' . 52355 2
188 . 1 . 1 26 26 DC H5 H 1 5.642 0.01 . 1 . . . . . 26 DC H5 . 52355 2
189 . 1 . 1 26 26 DC H6 H 1 7.452 0.01 . 1 . . . . . 26 DC H6 . 52355 2
190 . 1 . 1 26 26 DC H41 H 1 8.093 0.01 . 1 . . . . . 26 DC H41 . 52355 2
191 . 1 . 1 26 26 DC H42 H 1 6.796 0.01 . 1 . . . . . 26 DC H42 . 52355 2
192 . 1 . 1 26 26 DC P P 31 -3.188 0.05 . 1 . . . . . 26 DC P . 52355 2
193 . 1 . 1 27 27 DT H1' H 1 6.123 0.01 . 1 . . . . . 27 DT H1' . 52355 2
194 . 1 . 1 27 27 DT H3' H 1 4.663 0.01 . 1 . . . . . 27 DT H3' . 52355 2
195 . 1 . 1 27 27 DT H6 H 1 7.239 0.01 . 1 . . . . . 27 DT H6 . 52355 2
196 . 1 . 1 27 27 DT H71 H 1 1.647 0.01 . 3 . . . . . 27 DT H71 . 52355 2
197 . 1 . 1 27 27 DT H72 H 1 1.647 0.01 . 3 . . . . . 27 DT H72 . 52355 2
198 . 1 . 1 27 27 DT H73 H 1 1.647 0.01 . 3 . . . . . 27 DT H73 . 52355 2
199 . 1 . 1 28 28 DC H1' H 1 5.976 0.01 . 1 . . . . . 28 DC H1' . 52355 2
200 . 1 . 1 28 28 DC H2' H 1 2.158 0.01 . 2 . . . . . 28 DC H2' . 52355 2
201 . 1 . 1 28 28 DC H3' H 1 4.881 0.01 . 1 . . . . . 28 DC H3' . 52355 2
202 . 1 . 1 28 28 DC H5 H 1 5.573 0.01 . 1 . . . . . 28 DC H5 . 52355 2
203 . 1 . 1 28 28 DC H6 H 1 7.308 0.01 . 1 . . . . . 28 DC H6 . 52355 2
204 . 1 . 1 28 28 DC H41 H 1 8.689 0.01 . 1 . . . . . 28 DC H41 . 52355 2
205 . 1 . 1 28 28 DC H42 H 1 7.256 0.01 . 1 . . . . . 28 DC H42 . 52355 2
206 . 1 . 1 29 29 DG H3' H 1 5.000 0.01 . 1 . . . . . 29 DG H3' . 52355 2
207 . 1 . 1 29 29 DG H8 H 1 8.135 0.01 . 1 . . . . . 29 DG H8 . 52355 2
208 . 1 . 1 30 30 DA H1' H 1 5.151 0.01 . 1 . . . . . 30 DA H1' . 52355 2
209 . 1 . 1 30 30 DA H2 H 1 8.446 0.01 . 1 . . . . . 30 DA H2 . 52355 2
210 . 1 . 1 30 30 DA H2' H 1 1.413 0.01 . 2 . . . . . 30 DA H2' . 52355 2
211 . 1 . 1 30 30 DA H3' H 1 4.668 0.01 . 1 . . . . . 30 DA H3' . 52355 2
212 . 1 . 1 30 30 DA H4' H 1 3.304 0.01 . 1 . . . . . 30 DA H4' . 52355 2
213 . 1 . 1 30 30 DA H5' H 1 3.940 0.01 . 2 . . . . . 30 DA H5' . 52355 2
214 . 1 . 1 30 30 DA H5'' H 1 3.653 0.01 . 2 . . . . . 30 DA H5'' . 52355 2
215 . 1 . 1 30 30 DA H8 H 1 8.111 0.01 . 1 . . . . . 30 DA H8 . 52355 2
216 . 1 . 1 30 30 DA P P 31 -2.590 0.05 . 1 . . . . . 30 DA P . 52355 2
217 . 1 . 1 31 31 DC H1' H 1 4.977 0.01 . 1 . . . . . 31 DC H1' . 52355 2
218 . 1 . 1 31 31 DC H2' H 1 2.157 0.01 . 1 . . . . . 31 DC H2' . 52355 2
219 . 1 . 1 31 31 DC H2'' H 1 2.306 0.01 . 1 . . . . . 31 DC H2'' . 52355 2
220 . 1 . 1 31 31 DC H3' H 1 4.801 0.01 . 1 . . . . . 31 DC H3' . 52355 2
221 . 1 . 1 31 31 DC H5 H 1 5.712 0.01 . 1 . . . . . 31 DC H5 . 52355 2
222 . 1 . 1 31 31 DC H6 H 1 7.411 0.01 . 1 . . . . . 31 DC H6 . 52355 2
223 . 1 . 1 31 31 DC H41 H 1 8.500 0.01 . 1 . . . . . 31 DC H41 . 52355 2
224 . 1 . 1 31 31 DC H42 H 1 7.041 0.01 . 1 . . . . . 31 DC H42 . 52355 2
225 . 1 . 1 32 32 DG H1 H 1 13.200 0.01 . 1 . . . . . 32 DG H1 . 52355 2
226 . 1 . 1 32 32 DG H1' H 1 5.677 0.01 . 1 . . . . . 32 DG H1' . 52355 2
227 . 1 . 1 32 32 DG H2' H 1 2.732 0.01 . 1 . . . . . 32 DG H2' . 52355 2
228 . 1 . 1 32 32 DG H2'' H 1 2.816 0.01 . 1 . . . . . 32 DG H2'' . 52355 2
229 . 1 . 1 32 32 DG H3' H 1 5.043 0.01 . 1 . . . . . 32 DG H3' . 52355 2
230 . 1 . 1 32 32 DG H8 H 1 7.864 0.01 . 1 . . . . . 32 DG H8 . 52355 2
231 . 1 . 1 32 32 DG P P 31 -3.438 0.05 . 1 . . . . . 32 DG P . 52355 2
232 . 1 . 1 33 33 DG H1 H 1 13.046 0.01 . 1 . . . . . 33 DG H1 . 52355 2
233 . 1 . 1 33 33 DG H1' H 1 5.916 0.01 . 1 . . . . . 33 DG H1' . 52355 2
234 . 1 . 1 33 33 DG H2' H 1 2.597 0.01 . 1 . . . . . 33 DG H2' . 52355 2
235 . 1 . 1 33 33 DG H2'' H 1 2.741 0.01 . 1 . . . . . 33 DG H2'' . 52355 2
236 . 1 . 1 33 33 DG H3' H 1 5.022 0.01 . 1 . . . . . 33 DG H3' . 52355 2
237 . 1 . 1 33 33 DG H8 H 1 7.812 0.01 . 1 . . . . . 33 DG H8 . 52355 2
238 . 1 . 1 33 33 DG P P 31 -4.157 0.05 . 1 . . . . . 33 DG P . 52355 2
239 . 1 . 1 34 34 DC H1' H 1 5.743 0.01 . 1 . . . . . 34 DC H1' . 52355 2
240 . 1 . 1 34 34 DC H2' H 1 1.937 0.01 . 1 . . . . . 34 DC H2' . 52355 2
241 . 1 . 1 34 34 DC H2'' H 1 2.366 0.01 . 1 . . . . . 34 DC H2'' . 52355 2
242 . 1 . 1 34 34 DC H3' H 1 4.847 0.01 . 1 . . . . . 34 DC H3' . 52355 2
243 . 1 . 1 34 34 DC H5 H 1 5.442 0.01 . 1 . . . . . 34 DC H5 . 52355 2
244 . 1 . 1 34 34 DC H6 H 1 7.339 0.01 . 1 . . . . . 34 DC H6 . 52355 2
245 . 1 . 1 34 34 DC H41 H 1 8.502 0.01 . 1 . . . . . 34 DC H41 . 52355 2
246 . 1 . 1 34 34 DC H42 H 1 6.658 0.01 . 1 . . . . . 34 DC H42 . 52355 2
247 . 1 . 1 34 34 DC P P 31 -4.017 0.05 . 1 . . . . . 34 DC P . 52355 2
248 . 1 . 1 35 35 DG H1' H 1 6.195 0.01 . 1 . . . . . 35 DG H1' . 52355 2
249 . 1 . 1 35 35 DG H2' H 1 2.640 0.01 . 1 . . . . . 35 DG H2' . 52355 2
250 . 1 . 1 35 35 DG H2'' H 1 2.382 0.01 . 1 . . . . . 35 DG H2'' . 52355 2
251 . 1 . 1 35 35 DG H3' H 1 4.706 0.01 . 1 . . . . . 35 DG H3' . 52355 2
252 . 1 . 1 35 35 DG H8 H 1 7.973 0.01 . 1 . . . . . 35 DG H8 . 52355 2
253 . 1 . 1 35 35 DG P P 31 -3.850 0.05 . 1 . . . . . 35 DG P . 52355 2
stop_
save_