Content for NMR-STAR saveframe, "assigned_chemical_shifts_4"
save_assigned_chemical_shifts_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4
_Assigned_chem_shift_list.Entry_ID 52355
_Assigned_chem_shift_list.ID 4
_Assigned_chem_shift_list.Name list_4
_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
4 '2D 1H-1H NOESY' . . . 52355 4
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 4
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 5.796 0.01 . 1 . . . . . 1 DC H1' . 52355 4
2 . 1 . 1 1 1 DC H2' H 1 2.031 0.01 . 1 . . . . . 1 DC H2' . 52355 4
3 . 1 . 1 1 1 DC H2'' H 1 2.469 0.01 . 1 . . . . . 1 DC H2'' . 52355 4
4 . 1 . 1 1 1 DC H3' H 1 4.745 0.01 . 1 . . . . . 1 DC H3' . 52355 4
5 . 1 . 1 1 1 DC H5 H 1 5.968 0.01 . 1 . . . . . 1 DC H5 . 52355 4
6 . 1 . 1 1 1 DC H6 H 1 7.698 0.01 . 1 . . . . . 1 DC H6 . 52355 4
7 . 1 . 1 2 2 DG H1 H 1 13.134 0.01 . 1 . . . . . 2 DG H1 . 52355 4
8 . 1 . 1 2 2 DG H1' H 1 5.943 0.01 . 1 . . . . . 2 DG H1' . 52355 4
9 . 1 . 1 2 2 DG H2' H 1 2.731 0.01 . 1 . . . . . 2 DG H2' . 52355 4
10 . 1 . 1 2 2 DG H2'' H 1 2.765 0.01 . 1 . . . . . 2 DG H2'' . 52355 4
11 . 1 . 1 2 2 DG H3' H 1 5.017 0.01 . 1 . . . . . 2 DG H3' . 52355 4
12 . 1 . 1 2 2 DG H8 H 1 8.029 0.01 . 1 . . . . . 2 DG H8 . 52355 4
13 . 1 . 1 2 2 DG P P 31 -4.061 0.05 . 1 . . . . . 2 DG P . 52355 4
14 . 1 . 1 3 3 DC H1' H 1 6.047 0.01 . 1 . . . . . 3 DC H1' . 52355 4
15 . 1 . 1 3 3 DC H2' H 1 2.136 0.01 . 1 . . . . . 3 DC H2' . 52355 4
16 . 1 . 1 3 3 DC H2'' H 1 2.484 0.01 . 1 . . . . . 3 DC H2'' . 52355 4
17 . 1 . 1 3 3 DC H3' H 1 4.889 0.01 . 1 . . . . . 3 DC H3' . 52355 4
18 . 1 . 1 3 3 DC H5 H 1 5.459 0.01 . 1 . . . . . 3 DC H5 . 52355 4
19 . 1 . 1 3 3 DC H6 H 1 7.477 0.01 . 1 . . . . . 3 DC H6 . 52355 4
20 . 1 . 1 3 3 DC H41 H 1 8.200 0.01 . 1 . . . . . 3 DC H41 . 52355 4
21 . 1 . 1 3 3 DC H42 H 1 6.491 0.01 . 1 . . . . . 3 DC H42 . 52355 4
22 . 1 . 1 3 3 DC P P 31 -4.124 0.05 . 1 . . . . . 3 DC P . 52355 4
23 . 1 . 1 4 4 DC H1' H 1 5.583 0.01 . 1 . . . . . 4 DC H1' . 52355 4
24 . 1 . 1 4 4 DC H2' H 1 1.835 0.01 . 1 . . . . . 4 DC H2' . 52355 4
25 . 1 . 1 4 4 DC H2'' H 1 2.214 0.01 . 1 . . . . . 4 DC H2'' . 52355 4
26 . 1 . 1 4 4 DC H3' H 1 4.826 0.01 . 1 . . . . . 4 DC H3' . 52355 4
27 . 1 . 1 4 4 DC H5 H 1 5.619 0.01 . 1 . . . . . 4 DC H5 . 52355 4
28 . 1 . 1 4 4 DC H6 H 1 7.376 0.01 . 1 . . . . . 4 DC H6 . 52355 4
29 . 1 . 1 4 4 DC H41 H 1 8.492 0.01 . 1 . . . . . 4 DC H41 . 52355 4
30 . 1 . 1 4 4 DC H42 H 1 6.945 0.01 . 1 . . . . . 4 DC H42 . 52355 4
31 . 1 . 1 5 5 DG H1 H 1 12.900 0.01 . 1 . . . . . 5 DG H1 . 52355 4
32 . 1 . 1 5 5 DG H1' H 1 5.952 0.01 . 1 . . . . . 5 DG H1' . 52355 4
33 . 1 . 1 5 5 DG H3' H 1 4.981 0.01 . 1 . . . . . 5 DG H3' . 52355 4
34 . 1 . 1 6 6 DG H1' H 1 5.811 0.01 . 1 . . . . . 6 DG H1' . 52355 4
35 . 1 . 1 6 6 DG H2' H 1 3.037 0.01 . 2 . . . . . 6 DG H2' . 52355 4
36 . 1 . 1 6 6 DG H2'' H 1 3.209 0.01 . 2 . . . . . 6 DG H2'' . 52355 4
37 . 1 . 1 6 6 DG H3' H 1 5.242 0.01 . 1 . . . . . 6 DG H3' . 52355 4
38 . 1 . 1 6 6 DG H8 H 1 8.324 0.01 . 1 . . . . . 6 DG H8 . 52355 4
39 . 1 . 1 7 7 DG H1 H 1 11.424 0.01 . 1 . . . . . 7 DG H1 . 52355 4
40 . 1 . 1 7 7 DG H1' H 1 6.342 0.01 . 1 . . . . . 7 DG H1' . 52355 4
41 . 1 . 1 7 7 DG H2' H 1 3.178 0.01 . 2 . . . . . 7 DG H2' . 52355 4
42 . 1 . 1 7 7 DG H2'' H 1 3.017 0.01 . 2 . . . . . 7 DG H2'' . 52355 4
43 . 1 . 1 7 7 DG H3' H 1 4.954 0.01 . 1 . . . . . 7 DG H3' . 52355 4
44 . 1 . 1 7 7 DG H8 H 1 8.393 0.01 . 1 . . . . . 7 DG H8 . 52355 4
45 . 1 . 1 7 7 DG P P 31 -3.711 0.05 . 1 . . . . . 7 DG P . 52355 4
46 . 1 . 1 8 8 DG H1 H 1 12.765 0.01 . 1 . . . . . 8 DG H1 . 52355 4
47 . 1 . 1 8 8 DG H1' H 1 6.010 0.01 . 1 . . . . . 8 DG H1' . 52355 4
48 . 1 . 1 8 8 DG H2' H 1 2.547 0.01 . 2 . . . . . 8 DG H2' . 52355 4
49 . 1 . 1 8 8 DG H2'' H 1 2.811 0.01 . 2 . . . . . 8 DG H2'' . 52355 4
50 . 1 . 1 8 8 DG H3' H 1 4.870 0.01 . 1 . . . . . 8 DG H3' . 52355 4
51 . 1 . 1 8 8 DG H8 H 1 7.627 0.01 . 1 . . . . . 8 DG H8 . 52355 4
52 . 1 . 1 9 9 DT H1' H 1 6.105 0.01 . 1 . . . . . 9 DT H1' . 52355 4
53 . 1 . 1 9 9 DT H2' H 1 1.914 0.01 . 2 . . . . . 9 DT H2' . 52355 4
54 . 1 . 1 9 9 DT H2'' H 1 2.444 0.01 . 2 . . . . . 9 DT H2'' . 52355 4
55 . 1 . 1 9 9 DT H3 H 1 13.941 0.01 . 1 . . . . . 9 DT H3 . 52355 4
56 . 1 . 1 9 9 DT H3' H 1 4.807 0.01 . 1 . . . . . 9 DT H3' . 52355 4
57 . 1 . 1 9 9 DT H6 H 1 7.484 0.01 . 1 . . . . . 9 DT H6 . 52355 4
58 . 1 . 1 9 9 DT H71 H 1 1.290 0.01 . 3 . . . . . 9 DT H71 . 52355 4
59 . 1 . 1 9 9 DT H72 H 1 1.290 0.01 . 3 . . . . . 9 DT H72 . 52355 4
60 . 1 . 1 9 9 DT H73 H 1 1.290 0.01 . 3 . . . . . 9 DT H73 . 52355 4
61 . 1 . 1 10 10 DC H1' H 1 6.017 0.01 . 1 . . . . . 10 DC H1' . 52355 4
62 . 1 . 1 10 10 DC H2' H 1 1.760 0.01 . 1 . . . . . 10 DC H2' . 52355 4
63 . 1 . 1 10 10 DC H2'' H 1 2.254 0.01 . 1 . . . . . 10 DC H2'' . 52355 4
64 . 1 . 1 10 10 DC H3' H 1 4.839 0.01 . 1 . . . . . 10 DC H3' . 52355 4
65 . 1 . 1 10 10 DC H5 H 1 5.440 0.01 . 1 . . . . . 10 DC H5 . 52355 4
66 . 1 . 1 10 10 DC H6 H 1 7.225 0.01 . 1 . . . . . 10 DC H6 . 52355 4
67 . 1 . 1 10 10 DC H41 H 1 8.495 0.01 . 1 . . . . . 10 DC H41 . 52355 4
68 . 1 . 1 10 10 DC H42 H 1 7.146 0.01 . 1 . . . . . 10 DC H42 . 52355 4
69 . 1 . 1 11 11 DG H1' H 1 5.342 0.01 . 1 . . . . . 11 DG H1' . 52355 4
70 . 1 . 1 11 11 DG H2' H 1 2.708 0.01 . 1 . . . . . 11 DG H2' . 52355 4
71 . 1 . 1 11 11 DG H2'' H 1 2.566 0.01 . 1 . . . . . 11 DG H2'' . 52355 4
72 . 1 . 1 11 11 DG H3' H 1 4.927 0.01 . 1 . . . . . 11 DG H3' . 52355 4
73 . 1 . 1 11 11 DG H8 H 1 8.139 0.01 . 1 . . . . . 11 DG H8 . 52355 4
74 . 1 . 1 12 12 DA H1' H 1 5.969 0.01 . 1 . . . . . 12 DA H1' . 52355 4
75 . 1 . 1 12 12 DA H2' H 1 2.253 0.01 . 1 . . . . . 12 DA H2' . 52355 4
76 . 1 . 1 12 12 DA H2'' H 1 2.326 0.01 . 1 . . . . . 12 DA H2'' . 52355 4
77 . 1 . 1 12 12 DA H3' H 1 4.577 0.01 . 1 . . . . . 12 DA H3' . 52355 4
78 . 1 . 1 12 12 DA H5' H 1 3.401 0.01 . 2 . . . . . 12 DA H5' . 52355 4
79 . 1 . 1 12 12 DA H5'' H 1 3.095 0.01 . 2 . . . . . 12 DA H5'' . 52355 4
80 . 1 . 1 12 12 DA H8 H 1 8.137 0.01 . 1 . . . . . 12 DA H8 . 52355 4
81 . 1 . 1 13 13 DA H1' H 1 6.285 0.01 . 1 . . . . . 13 DA H1' . 52355 4
82 . 1 . 1 13 13 DA H2 H 1 8.069 0.01 . 1 . . . . . 13 DA H2 . 52355 4
83 . 1 . 1 13 13 DA H2' H 1 2.726 0.01 . 2 . . . . . 13 DA H2' . 52355 4
84 . 1 . 1 13 13 DA H2'' H 1 2.866 0.01 . 2 . . . . . 13 DA H2'' . 52355 4
85 . 1 . 1 13 13 DA H3' H 1 5.085 0.01 . 1 . . . . . 13 DA H3' . 52355 4
86 . 1 . 1 13 13 DA H8 H 1 8.268 0.01 . 1 . . . . . 13 DA H8 . 52355 4
87 . 1 . 1 14 14 DG H1 H 1 12.986 0.01 . 1 . . . . . 14 DG H1 . 52355 4
88 . 1 . 1 14 14 DG H1' H 1 5.034 0.01 . 1 . . . . . 14 DG H1' . 52355 4
89 . 1 . 1 14 14 DG H2' H 1 2.643 0.01 . 1 . . . . . 14 DG H2' . 52355 4
90 . 1 . 1 14 14 DG H2'' H 1 2.543 0.01 . 1 . . . . . 14 DG H2'' . 52355 4
91 . 1 . 1 14 14 DG H3' H 1 4.902 0.01 . 1 . . . . . 14 DG H3' . 52355 4
92 . 1 . 1 14 14 DG H8 H 1 8.070 0.01 . 1 . . . . . 14 DG H8 . 52355 4
93 . 1 . 1 15 15 DA H1' H 1 6.269 0.01 . 1 . . . . . 15 DA H1' . 52355 4
94 . 1 . 1 15 15 DA H2 H 1 8.045 0.01 . 1 . . . . . 15 DA H2 . 52355 4
95 . 1 . 1 15 15 DA H2' H 1 2.583 0.01 . 1 . . . . . 15 DA H2' . 52355 4
96 . 1 . 1 15 15 DA H2'' H 1 2.812 0.01 . 1 . . . . . 15 DA H2'' . 52355 4
97 . 1 . 1 15 15 DA H3' H 1 5.031 0.01 . 1 . . . . . 15 DA H3' . 52355 4
98 . 1 . 1 15 15 DA H8 H 1 8.182 0.01 . 1 . . . . . 15 DA H8 . 52355 4
99 . 1 . 1 15 15 DA P P 31 -3.502 0.05 . 1 . . . . . 15 DA P . 52355 4
100 . 1 . 1 16 16 DC H1' H 1 5.882 0.01 . 1 . . . . . 16 DC H1' . 52355 4
101 . 1 . 1 16 16 DC H2' H 1 1.924 0.01 . 1 . . . . . 16 DC H2' . 52355 4
102 . 1 . 1 16 16 DC H2'' H 1 2.324 0.01 . 1 . . . . . 16 DC H2'' . 52355 4
103 . 1 . 1 16 16 DC H3' H 1 4.785 0.01 . 1 . . . . . 16 DC H3' . 52355 4
104 . 1 . 1 16 16 DC H5 H 1 5.020 0.01 . 1 . . . . . 16 DC H5 . 52355 4
105 . 1 . 1 16 16 DC H6 H 1 7.217 0.01 . 1 . . . . . 16 DC H6 . 52355 4
106 . 1 . 1 16 16 DC H41 H 1 8.140 0.01 . 1 . . . . . 16 DC H41 . 52355 4
107 . 1 . 1 16 16 DC H42 H 1 6.628 0.01 . 1 . . . . . 16 DC H42 . 52355 4
108 . 1 . 1 17 17 DT H1' H 1 5.462 0.01 . 1 . . . . . 17 DT H1' . 52355 4
109 . 1 . 1 17 17 DT H2' H 1 0.652 0.01 . 1 . . . . . 17 DT H2' . 52355 4
110 . 1 . 1 17 17 DT H2'' H 1 1.668 0.01 . 1 . . . . . 17 DT H2'' . 52355 4
111 . 1 . 1 17 17 DT H3 H 1 10.914 0.01 . 1 . . . . . 17 DT H3 . 52355 4
112 . 1 . 1 17 17 DT H3' H 1 4.420 0.01 . 1 . . . . . 17 DT H3' . 52355 4
113 . 1 . 1 17 17 DT H5' H 1 4.121 0.01 . 2 . . . . . 17 DT H5' . 52355 4
114 . 1 . 1 17 17 DT H5'' H 1 3.726 0.01 . 2 . . . . . 17 DT H5'' . 52355 4
115 . 1 . 1 17 17 DT H6 H 1 7.000 0.01 . 1 . . . . . 17 DT H6 . 52355 4
116 . 1 . 1 17 17 DT H71 H 1 1.306 0.01 . 3 . . . . . 17 DT H71 . 52355 4
117 . 1 . 1 17 17 DT H72 H 1 1.306 0.01 . 3 . . . . . 17 DT H72 . 52355 4
118 . 1 . 1 17 17 DT H73 H 1 1.306 0.01 . 3 . . . . . 17 DT H73 . 52355 4
119 . 1 . 1 17 17 DT P P 31 -4.873 0.05 . 1 . . . . . 17 DT P . 52355 4
120 . 1 . 1 18 18 DG H1' H 1 5.464 0.01 . 1 . . . . . 18 DG H1' . 52355 4
121 . 1 . 1 18 18 DG H2' H 1 2.826 0.01 . 1 . . . . . 18 DG H2' . 52355 4
122 . 1 . 1 18 18 DG H2'' H 1 2.544 0.01 . 1 . . . . . 18 DG H2'' . 52355 4
123 . 1 . 1 18 18 DG H3' H 1 4.965 0.01 . 1 . . . . . 18 DG H3' . 52355 4
124 . 1 . 1 18 18 DG H8 H 1 7.973 0.01 . 1 . . . . . 18 DG H8 . 52355 4
125 . 1 . 1 19 19 DC H1' H 1 6.057 0.01 . 1 . . . . . 19 DC H1' . 52355 4
126 . 1 . 1 19 19 DC H2' H 1 1.993 0.01 . 1 . . . . . 19 DC H2' . 52355 4
127 . 1 . 1 19 19 DC H2'' H 1 2.343 0.01 . 1 . . . . . 19 DC H2'' . 52355 4
128 . 1 . 1 19 19 DC H3' H 1 4.887 0.01 . 1 . . . . . 19 DC H3' . 52355 4
129 . 1 . 1 19 19 DC H5 H 1 5.775 0.01 . 1 . . . . . 19 DC H5 . 52355 4
130 . 1 . 1 19 19 DC H6 H 1 7.561 0.01 . 1 . . . . . 19 DC H6 . 52355 4
131 . 1 . 1 19 19 DC H41 H 1 7.862 0.01 . 1 . . . . . 19 DC H41 . 52355 4
132 . 1 . 1 19 19 DC H42 H 1 6.663 0.01 . 1 . . . . . 19 DC H42 . 52355 4
133 . 1 . 1 20 20 DC H1' H 1 6.467 0.01 . 1 . . . . . 20 DC H1' . 52355 4
134 . 1 . 1 20 20 DC H2' H 1 2.725 0.01 . 2 . . . . . 20 DC H2' . 52355 4
135 . 1 . 1 20 20 DC H2'' H 1 2.778 0.01 . 2 . . . . . 20 DC H2'' . 52355 4
136 . 1 . 1 20 20 DC H3' H 1 5.137 0.01 . 1 . . . . . 20 DC H3' . 52355 4
137 . 1 . 1 20 20 DC H5 H 1 5.850 0.01 . 1 . . . . . 20 DC H5 . 52355 4
138 . 1 . 1 20 20 DC H5'' H 1 4.092 0.01 . 2 . . . . . 20 DC H5'' . 52355 4
139 . 1 . 1 20 20 DC H6 H 1 7.832 0.01 . 1 . . . . . 20 DC H6 . 52355 4
140 . 1 . 1 20 20 DC H41 H 1 8.931 0.01 . 1 . . . . . 20 DC H41 . 52355 4
141 . 1 . 1 20 20 DC H42 H 1 7.067 0.01 . 1 . . . . . 20 DC H42 . 52355 4
142 . 1 . 1 21 21 DA H1' H 1 6.315 0.01 . 1 . . . . . 21 DA H1' . 52355 4
143 . 1 . 1 21 21 DA H2 H 1 8.181 0.01 . 1 . . . . . 21 DA H2 . 52355 4
144 . 1 . 1 21 21 DA H2' H 1 2.090 0.01 . 1 . . . . . 21 DA H2' . 52355 4
145 . 1 . 1 21 21 DA H2'' H 1 2.780 0.01 . 1 . . . . . 21 DA H2'' . 52355 4
146 . 1 . 1 21 21 DA H3' H 1 5.186 0.01 . 1 . . . . . 21 DA H3' . 52355 4
147 . 1 . 1 21 21 DA H4' H 1 4.361 0.01 . 1 . . . . . 21 DA H4' . 52355 4
148 . 1 . 1 21 21 DA H5' H 1 4.443 0.01 . 2 . . . . . 21 DA H5' . 52355 4
149 . 1 . 1 21 21 DA H5'' H 1 4.200 0.01 . 2 . . . . . 21 DA H5'' . 52355 4
150 . 1 . 1 21 21 DA H8 H 1 7.942 0.01 . 1 . . . . . 21 DA H8 . 52355 4
151 . 1 . 1 22 22 DG H1' H 1 5.950 0.01 . 1 . . . . . 22 DG H1' . 52355 4
152 . 1 . 1 22 22 DG H2' H 1 2.464 0.01 . 2 . . . . . 22 DG H2' . 52355 4
153 . 1 . 1 22 22 DG H2'' H 1 2.540 0.01 . 2 . . . . . 22 DG H2'' . 52355 4
154 . 1 . 1 22 22 DG H3' H 1 4.689 0.01 . 1 . . . . . 22 DG H3' . 52355 4
155 . 1 . 1 22 22 DG H8 H 1 7.994 0.01 . 1 . . . . . 22 DG H8 . 52355 4
156 . 1 . 1 23 23 DC H1' H 1 5.507 0.01 . 1 . . . . . 23 DC H1' . 52355 4
157 . 1 . 1 23 23 DC H2' H 1 1.825 0.01 . 1 . . . . . 23 DC H2' . 52355 4
158 . 1 . 1 23 23 DC H2'' H 1 2.297 0.01 . 1 . . . . . 23 DC H2'' . 52355 4
159 . 1 . 1 23 23 DC H3' H 1 4.476 0.01 . 1 . . . . . 23 DC H3' . 52355 4
160 . 1 . 1 23 23 DC H5 H 1 6.226 0.01 . 1 . . . . . 23 DC H5 . 52355 4
161 . 1 . 1 23 23 DC H6 H 1 7.656 0.01 . 1 . . . . . 23 DC H6 . 52355 4
162 . 1 . 1 23 23 DC P P 31 -3.502 0.05 . 1 . . . . . 23 DC P . 52355 4
163 . 1 . 1 24 24 DG H1 H 1 13.164 0.01 . 1 . . . . . 24 DG H1 . 52355 4
164 . 1 . 1 24 24 DG H1' H 1 5.660 0.01 . 1 . . . . . 24 DG H1' . 52355 4
165 . 1 . 1 24 24 DG H2' H 1 2.633 0.01 . 1 . . . . . 24 DG H2' . 52355 4
166 . 1 . 1 24 24 DG H2'' H 1 2.845 0.01 . 1 . . . . . 24 DG H2'' . 52355 4
167 . 1 . 1 24 24 DG H3' H 1 4.740 0.01 . 1 . . . . . 24 DG H3' . 52355 4
168 . 1 . 1 24 24 DG H4' H 1 4.287 0.01 . 1 . . . . . 24 DG H4' . 52355 4
169 . 1 . 1 24 24 DG H5' H 1 3.851 0.01 . 2 . . . . . 24 DG H5' . 52355 4
170 . 1 . 1 24 24 DG H5'' H 1 3.594 0.01 . 2 . . . . . 24 DG H5'' . 52355 4
171 . 1 . 1 24 24 DG H8 H 1 7.735 0.01 . 1 . . . . . 24 DG H8 . 52355 4
172 . 1 . 1 24 24 DG P P 31 -3.905 0.05 . 1 . . . . . 24 DG P . 52355 4
173 . 1 . 1 25 25 DG H1' H 1 5.343 0.01 . 1 . . . . . 25 DG H1' . 52355 4
174 . 1 . 1 25 25 DG H2' H 1 2.461 0.01 . 1 . . . . . 25 DG H2' . 52355 4
175 . 1 . 1 25 25 DG H2'' H 1 2.401 0.01 . 1 . . . . . 25 DG H2'' . 52355 4
176 . 1 . 1 25 25 DG H3' H 1 4.815 0.01 . 1 . . . . . 25 DG H3' . 52355 4
177 . 1 . 1 25 25 DG H8 H 1 7.764 0.01 . 1 . . . . . 25 DG H8 . 52355 4
178 . 1 . 1 26 26 DC H1' H 1 6.078 0.01 . 1 . . . . . 26 DC H1' . 52355 4
179 . 1 . 1 26 26 DC H2' H 1 2.201 0.01 . 2 . . . . . 26 DC H2' . 52355 4
180 . 1 . 1 26 26 DC H2'' H 1 2.464 0.01 . 2 . . . . . 26 DC H2'' . 52355 4
181 . 1 . 1 26 26 DC H3' H 1 4.715 0.01 . 1 . . . . . 26 DC H3' . 52355 4
182 . 1 . 1 26 26 DC H5 H 1 5.603 0.01 . 1 . . . . . 26 DC H5 . 52355 4
183 . 1 . 1 26 26 DC H6 H 1 7.432 0.01 . 1 . . . . . 26 DC H6 . 52355 4
184 . 1 . 1 26 26 DC H41 H 1 8.175 0.01 . 1 . . . . . 26 DC H41 . 52355 4
185 . 1 . 1 26 26 DC H42 H 1 6.774 0.01 . 1 . . . . . 26 DC H42 . 52355 4
186 . 1 . 1 27 27 DT H1' H 1 6.047 0.01 . 1 . . . . . 27 DT H1' . 52355 4
187 . 1 . 1 27 27 DT H2' H 1 1.732 0.01 . 1 . . . . . 27 DT H2' . 52355 4
188 . 1 . 1 27 27 DT H2'' H 1 2.308 0.01 . 1 . . . . . 27 DT H2'' . 52355 4
189 . 1 . 1 27 27 DT H3' H 1 4.607 0.01 . 1 . . . . . 27 DT H3' . 52355 4
190 . 1 . 1 27 27 DT H6 H 1 7.296 0.01 . 1 . . . . . 27 DT H6 . 52355 4
191 . 1 . 1 27 27 DT H71 H 1 1.657 0.01 . 3 . . . . . 27 DT H71 . 52355 4
192 . 1 . 1 27 27 DT H72 H 1 1.657 0.01 . 3 . . . . . 27 DT H72 . 52355 4
193 . 1 . 1 27 27 DT H73 H 1 1.657 0.01 . 3 . . . . . 27 DT H73 . 52355 4
194 . 1 . 1 28 28 DC H1' H 1 5.976 0.01 . 1 . . . . . 28 DC H1' . 52355 4
195 . 1 . 1 28 28 DC H2' H 1 2.134 0.01 . 2 . . . . . 28 DC H2' . 52355 4
196 . 1 . 1 28 28 DC H2'' H 1 2.350 0.01 . 2 . . . . . 28 DC H2'' . 52355 4
197 . 1 . 1 28 28 DC H5 H 1 5.576 0.01 . 1 . . . . . 28 DC H5 . 52355 4
198 . 1 . 1 28 28 DC H6 H 1 7.333 0.01 . 1 . . . . . 28 DC H6 . 52355 4
199 . 1 . 1 28 28 DC H41 H 1 8.698 0.01 . 1 . . . . . 28 DC H41 . 52355 4
200 . 1 . 1 28 28 DC H42 H 1 7.340 0.01 . 1 . . . . . 28 DC H42 . 52355 4
201 . 1 . 1 29 29 DG H3' H 1 4.989 0.01 . 1 . . . . . 29 DG H3' . 52355 4
202 . 1 . 1 29 29 DG H8 H 1 8.142 0.01 . 1 . . . . . 29 DG H8 . 52355 4
203 . 1 . 1 30 30 DA H2 H 1 8.415 0.01 . 1 . . . . . 30 DA H2 . 52355 4
204 . 1 . 1 30 30 DA H3' H 1 4.693 0.01 . 1 . . . . . 30 DA H3' . 52355 4
205 . 1 . 1 30 30 DA H4' H 1 3.345 0.01 . 1 . . . . . 30 DA H4' . 52355 4
206 . 1 . 1 30 30 DA H5' H 1 3.951 0.01 . 2 . . . . . 30 DA H5' . 52355 4
207 . 1 . 1 30 30 DA H5'' H 1 3.661 0.01 . 2 . . . . . 30 DA H5'' . 52355 4
208 . 1 . 1 30 30 DA H8 H 1 8.145 0.01 . 1 . . . . . 30 DA H8 . 52355 4
209 . 1 . 1 30 30 DA P P 31 -2.680 0.05 . 1 . . . . . 30 DA P . 52355 4
210 . 1 . 1 31 31 DC H2' H 1 2.134 0.01 . 1 . . . . . 31 DC H2' . 52355 4
211 . 1 . 1 31 31 DC H2'' H 1 2.309 0.01 . 1 . . . . . 31 DC H2'' . 52355 4
212 . 1 . 1 31 31 DC H3' H 1 4.801 0.01 . 1 . . . . . 31 DC H3' . 52355 4
213 . 1 . 1 31 31 DC H5 H 1 5.668 0.01 . 1 . . . . . 31 DC H5 . 52355 4
214 . 1 . 1 31 31 DC H6 H 1 7.399 0.01 . 1 . . . . . 31 DC H6 . 52355 4
215 . 1 . 1 31 31 DC H41 H 1 8.470 0.01 . 1 . . . . . 31 DC H41 . 52355 4
216 . 1 . 1 31 31 DC H42 H 1 7.020 0.01 . 1 . . . . . 31 DC H42 . 52355 4
217 . 1 . 1 32 32 DG H1 H 1 13.240 0.01 . 1 . . . . . 32 DG H1 . 52355 4
218 . 1 . 1 32 32 DG H1' H 1 5.717 0.01 . 1 . . . . . 32 DG H1' . 52355 4
219 . 1 . 1 32 32 DG H2' H 1 2.709 0.01 . 1 . . . . . 32 DG H2' . 52355 4
220 . 1 . 1 32 32 DG H2'' H 1 2.820 0.01 . 1 . . . . . 32 DG H2'' . 52355 4
221 . 1 . 1 32 32 DG H3' H 1 5.043 0.01 . 1 . . . . . 32 DG H3' . 52355 4
222 . 1 . 1 32 32 DG H8 H 1 7.879 0.01 . 1 . . . . . 32 DG H8 . 52355 4
223 . 1 . 1 33 33 DG H1 H 1 13.082 0.01 . 1 . . . . . 33 DG H1 . 52355 4
224 . 1 . 1 33 33 DG H1' H 1 5.872 0.01 . 1 . . . . . 33 DG H1' . 52355 4
225 . 1 . 1 33 33 DG H2' H 1 2.596 0.01 . 1 . . . . . 33 DG H2' . 52355 4
226 . 1 . 1 33 33 DG H2'' H 1 2.718 0.01 . 1 . . . . . 33 DG H2'' . 52355 4
227 . 1 . 1 33 33 DG H3' H 1 5.019 0.01 . 1 . . . . . 33 DG H3' . 52355 4
228 . 1 . 1 33 33 DG H8 H 1 7.825 0.01 . 1 . . . . . 33 DG H8 . 52355 4
229 . 1 . 1 33 33 DG P P 31 -4.194 0.05 . 1 . . . . . 33 DG P . 52355 4
230 . 1 . 1 34 34 DC H1' H 1 5.768 0.01 . 1 . . . . . 34 DC H1' . 52355 4
231 . 1 . 1 34 34 DC H2' H 1 1.942 0.01 . 1 . . . . . 34 DC H2' . 52355 4
232 . 1 . 1 34 34 DC H2'' H 1 2.377 0.01 . 1 . . . . . 34 DC H2'' . 52355 4
233 . 1 . 1 34 34 DC H3' H 1 4.841 0.01 . 1 . . . . . 34 DC H3' . 52355 4
234 . 1 . 1 34 34 DC H5 H 1 5.450 0.01 . 1 . . . . . 34 DC H5 . 52355 4
235 . 1 . 1 34 34 DC H6 H 1 7.346 0.01 . 1 . . . . . 34 DC H6 . 52355 4
236 . 1 . 1 34 34 DC H41 H 1 8.462 0.01 . 1 . . . . . 34 DC H41 . 52355 4
237 . 1 . 1 34 34 DC H42 H 1 6.670 0.01 . 1 . . . . . 34 DC H42 . 52355 4
238 . 1 . 1 34 34 DC P P 31 -4.044 0.05 . 1 . . . . . 34 DC P . 52355 4
239 . 1 . 1 35 35 DG H1' H 1 6.189 0.01 . 1 . . . . . 35 DG H1' . 52355 4
240 . 1 . 1 35 35 DG H2' H 1 2.637 0.01 . 1 . . . . . 35 DG H2' . 52355 4
241 . 1 . 1 35 35 DG H2'' H 1 2.380 0.01 . 1 . . . . . 35 DG H2'' . 52355 4
242 . 1 . 1 35 35 DG H3' H 1 4.704 0.01 . 1 . . . . . 35 DG H3' . 52355 4
243 . 1 . 1 35 35 DG H8 H 1 7.970 0.01 . 1 . . . . . 35 DG H8 . 52355 4
244 . 1 . 1 35 35 DG P P 31 -3.942 0.05 . 1 . . . . . 35 DG P . 52355 4
stop_
save_