data_8XEQ

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   8XEQ   
BMRB  36623  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    8XEQ
_pdbx_vrpt_summary.PDB_deposition_date         2023-12-12
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2024-01-10
_pdbx_vrpt_summary.report_creation_date        2024-01-03:17:08
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "DNA (5'-D(*CP*AP*CP*GP*TP*GP*)-3')"
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb    
2  nmr  x-ray  
#
_pdbx_vrpt_percentile_type.id    1
_pdbx_vrpt_percentile_type.type  all_atom_clashscore
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1  41.13  158937  ?     ?     
2  2  1  60.02   12864  ?     ?     
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1  1  1  A  A  3.82  3.07  134  205  
 2  1  1  B  B  3.95  3.43  134  205  
 3  2  1  A  A  4.06  3.72  134  205  
 4  2  1  B  B  4.08  3.01  134  205  
 5  3  1  A  A  4.00  3.00  134  205  
 6  3  1  B  B  4.01  3.33  134  205  
 7  4  1  A  A  4.39  3.37  134  205  
 8  4  1  B  B  4.00  3.49  134  205  
 9  5  1  A  A  4.78  3.70  134  205  
10  5  1  B  B  4.07  3.43  134  205  
11  6  1  A  A  4.02  3.36  134  205  
12  6  1  B  B  3.70  3.31  134  205  
13  7  1  A  A  3.98  3.50  134  205  
14  7  1  B  B  3.74  3.12  134  205  
15  8  1  A  A  4.68  3.53  134  205  
16  8  1  B  B  4.14  3.40  134  205  
#
_pdbx_vrpt_summary_geometry.ordinal                 1
_pdbx_vrpt_summary_geometry.clashscore              7.43
_pdbx_vrpt_summary_geometry.clashscore_full_length  8.11
_pdbx_vrpt_summary_geometry.num_H_reduce            1041
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ          2144
_pdbx_vrpt_summary_geometry.bonds_RMSZ              3.37
_pdbx_vrpt_summary_geometry.num_angles_RMSZ         3280
_pdbx_vrpt_summary_geometry.angles_RMSZ             4.10
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              50.00
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  50.00
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_bond_outliers
_pdbx_vrpt_model_instance.count_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_plane_outliers
 1  1  1  A  1  DC  A   1  .  ?        2   7     ?     ?  
 2  1  1  A  2  DA  A   2  .  ?        2   5     1     1  
 3  1  1  A  3  DC  A   3  .  ?        3   2     1     1  
 4  1  1  A  4  DG  A   4  .  ?        2   6     1     1  
 5  1  1  A  5  DT  A   5  .  ?        4   6     ?     1  
 6  1  1  A  6  DG  A   6  .  ?        3   5     ?     1  
 7  1  1  B  1  DC  B   7  .  ?        2   6     ?     1  
 8  1  1  B  2  DA  B   8  .  ?        4   1     ?     1  
 9  1  1  B  3  DC  B   9  .  ?        4   8     ?     1  
10  1  1  B  4  DG  B  10  .  ?        5   4     1     ?  
11  1  1  B  5  DT  B  11  .  ?        4   9     ?     1  
12  1  1  B  6  DG  B  12  .  ?        3   6     ?     1  
13  2  1  A  1  DC  A   1  .  ?        4   8     ?     ?  
14  2  1  A  2  DA  A   2  .  ?        4   9     2     1  
15  2  1  A  3  DC  A   3  .  ?        4   8     2     1  
16  2  1  A  4  DG  A   4  .  ?        5   8     ?     ?  
17  2  1  A  5  DT  A   5  .  ?        4   6     ?     1  
18  2  1  A  6  DG  A   6  .  ?        2   5     ?     1  
19  2  1  B  1  DC  B   7  .  ?        2   4     ?     ?  
20  2  1  B  2  DA  B   8  .  ?        3  11     1     1  
21  2  1  B  3  DC  B   9  .  ?        4   6     1     1  
22  2  1  B  4  DG  B  10  .  ?        3   7     1     1  
23  2  1  B  5  DT  B  11  .  ?        2   5     1     ?  
24  2  1  B  6  DG  B  12  .  ?        2   9     ?     ?  
25  3  1  A  1  DC  A   1  .  ?        1   6     ?     ?  
26  3  1  A  2  DA  A   2  .  ?        1   7     1     1  
27  3  1  A  3  DC  A   3  .  ?        2   7     1     ?  
28  3  1  A  4  DG  A   4  .  ?        3   8     1     ?  
29  3  1  A  5  DT  A   5  .  ?        1   9     ?     1  
30  3  1  A  6  DG  A   6  .  ?        3   2     ?     1  
31  3  1  B  1  DC  B   7  .  ?        1   5     ?     1  
32  3  1  B  2  DA  B   8  .  ?        2  11     ?     1  
33  3  1  B  3  DC  B   9  .  ?        2   5     ?     1  
34  3  1  B  4  DG  B  10  .  ?        5   7     1     1  
35  3  1  B  5  DT  B  11  .  ?        3   3     ?     1  
36  3  1  B  6  DG  B  12  .  ?        4  10     ?     ?  
37  4  1  A  1  DC  A   1  .  ?        2   4     ?     1  
38  4  1  A  2  DA  A   2  .  ?        4   9     1     1  
39  4  1  A  3  DC  A   3  .  ?        2   3     1     1  
40  4  1  A  4  DG  A   4  .  ?        2   8     ?     1  
41  4  1  A  5  DT  A   5  .  ?        2   7     ?     ?  
42  4  1  A  6  DG  A   6  .  ?        6   7     ?     ?  
43  4  1  B  1  DC  B   7  .  ?        2   7     ?     ?  
44  4  1  B  2  DA  B   8  .  ?        2  10     1     1  
45  4  1  B  3  DC  B   9  .  ?        3   4     1     1  
46  4  1  B  4  DG  B  10  .  ?        5   3     ?     1  
47  4  1  B  5  DT  B  11  .  ?        2   8     ?     ?  
48  4  1  B  6  DG  B  12  .  ?        6  10     ?     1  
49  5  1  A  1  DC  A   1  .  ?        3   8     ?     ?  
50  5  1  A  2  DA  A   2  .  ?        4   9     ?     1  
51  5  1  A  3  DC  A   3  .  ?        1   7     ?     1  
52  5  1  A  4  DG  A   4  .  ?        6   8     ?     ?  
53  5  1  A  5  DT  A   5  .  ?        3   6     ?     1  
54  5  1  A  6  DG  A   6  .  ?        9   9     ?     1  
55  5  1  B  1  DC  B   7  .  ?        2   2     ?     ?  
56  5  1  B  2  DA  B   8  .  ?        5   7     ?     1  
57  5  1  B  3  DC  B   9  .  ?        1   6     ?     1  
58  5  1  B  4  DG  B  10  .  ?        5   9     1     ?  
59  5  1  B  5  DT  B  11  .  ?        3   5     1     1  
60  5  1  B  6  DG  B  12  .  ?        5   9     ?     1  
61  6  1  A  1  DC  A   1  .  ?        1   4     ?     ?  
62  6  1  A  2  DA  A   2  .  ?        2   7     1     1  
63  6  1  A  3  DC  A   3  .  ?        2   5     2     1  
64  6  1  A  4  DG  A   4  .  ?        6   7     1     ?  
65  6  1  A  5  DT  A   5  .  ?        3   3     ?     1  
66  6  1  A  6  DG  A   6  .  ?        3   4     ?     ?  
67  6  1  B  1  DC  B   7  .  ?        1   4     ?     1  
68  6  1  B  2  DA  B   8  .  ?        6   7     ?     1  
69  6  1  B  3  DC  B   9  .  ?        1   5     ?     1  
70  6  1  B  4  DG  B  10  .  ?        3   4     1     ?  
71  6  1  B  5  DT  B  11  .  ?        2   3     1     1  
72  6  1  B  6  DG  B  12  .  ?        5  10     ?     1  
73  7  1  A  1  DC  A   1  .  ?        1   4     ?     1  
74  7  1  A  2  DA  A   2  .  ?        4   5     ?     1  
75  7  1  A  3  DC  A   3  .  ?        ?   4     ?     1  
76  7  1  A  4  DG  A   4  .  ?        6   9     ?     1  
77  7  1  A  5  DT  A   5  .  ?        1   8     ?     1  
78  7  1  A  6  DG  A   6  .  ?        5   2     ?     ?  
79  7  1  B  1  DC  B   7  .  ?        ?   6     ?     ?  
80  7  1  B  2  DA  B   8  .  ?        5   8     1     1  
81  7  1  B  3  DC  B   9  .  ?        2   3     1     ?  
82  7  1  B  4  DG  B  10  .  ?        2   6     ?     1  
83  7  1  B  5  DT  B  11  .  ?        2   5     1     1  
84  7  1  B  6  DG  B  12  .  ?        4   9     1     ?  
85  8  1  A  1  DC  A   1  .  ?        3  10     ?     ?  
86  8  1  A  2  DA  A   2  .  ?        5   7     1     ?  
87  8  1  A  3  DC  A   3  .  ?        2   7     1     1  
88  8  1  A  4  DG  A   4  .  ?        3  12     1     1  
89  8  1  A  5  DT  A   5  .  ?        5  11     1     1  
90  8  1  A  6  DG  A   6  .  ?        3   4     ?     1  
91  8  1  B  1  DC  B   7  .  ?        2  11     ?     1  
92  8  1  B  2  DA  B   8  .  ?        2  10     2     ?  
93  8  1  B  3  DC  B   9  .  ?        1   4     3     1  
94  8  1  B  4  DG  B  10  .  ?        3   8     2     ?  
95  8  1  B  5  DT  B  11  .  ?        4   3     1     ?  
96  8  1  B  6  DG  B  12  .  ?        4   6     ?     1  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
 1   1  12  18  2.70  28  5.42  molprobity  
 2   2  11  24  2.76  37  4.20  molprobity  
 3   3  11  21  3.29  32  3.04  molprobity  
 4   4  11  25  2.92  39  3.48  molprobity  
 5   5  12  22  3.25  34  3.19  molprobity  
 6   6  11  24  3.39  35  3.39  molprobity  
 7   7  12  18  3.05  28  4.33  molprobity  
 8   8  11  24  3.04  37  2.23  molprobity  
 9   9  11  21  3.59  32  4.52  molprobity  
10  10   9  25  3.47  39  3.37  molprobity  
11  11  12  22  4.18  34  4.63  molprobity  
12  12  10  24  3.10  35  4.36  molprobity  
13  13  10  18  4.17  28  5.28  molprobity  
14  14   9  24  4.38  37  3.98  molprobity  
15  15  11  21  3.63  32  4.41  molprobity  
16  16   9  25  3.70  39  4.11  molprobity  
17  17  12  22  3.41  34  3.34  molprobity  
18  18  12  24  2.92  35  3.20  molprobity  
19  19  12  18  2.99  28  3.71  molprobity  
20  20  11  24  2.68  37  5.13  molprobity  
21  21   9  21  3.51  32  3.71  molprobity  
22  22  11  25  3.18  39  4.49  molprobity  
23  23  12  22  3.09  34  3.02  molprobity  
24  24  10  24  2.57  35  3.82  molprobity  
25  25  12  18  2.63  28  4.41  molprobity  
26  26  11  24  3.40  37  4.97  molprobity  
27  27   9  21  3.14  32  3.76  molprobity  
28  28   9  25  3.05  39  4.01  molprobity  
29  29  12  22  2.53  34  4.07  molprobity  
30  30  12  24  3.04  35  2.24  molprobity  
31  31  12  18  2.50  28  3.57  molprobity  
32  32  11  24  3.27  37  5.05  molprobity  
33  33  11  21  3.28  32  3.69  molprobity  
34  34  10  25  3.83  39  3.84  molprobity  
35  35  12  22  3.68  34  2.42  molprobity  
36  36  12  24  3.08  35  4.73  molprobity  
37  37  12  18  2.68  28  3.99  molprobity  
38  38  11  24  4.24  37  5.45  molprobity  
39  39  11  21  3.05  32  3.46  molprobity  
40  40  10  25  3.23  39  4.83  molprobity  
41  41  12  22  2.96  34  4.11  molprobity  
42  42  10  24  3.62  35  3.94  molprobity  
43  43  12  18  2.82  28  4.71  molprobity  
44  44   9  24  3.32  37  4.65  molprobity  
45  45  11  21  3.86  32  3.53  molprobity  
46  46   9  25  3.53  39  2.84  molprobity  
47  47  12  22  3.23  34  3.86  molprobity  
48  48  10  24  3.92  35  4.28  molprobity  
49  49  12  18  3.28  28  5.02  molprobity  
50  50  11  24  3.58  37  4.99  molprobity  
51  51   9  21  3.00  32  4.68  molprobity  
52  52   9  25  3.44  39  4.56  molprobity  
53  53  12  22  3.40  34  3.85  molprobity  
54  54  10  24  4.98  35  5.44  molprobity  
55  55  10  18  3.35  28  3.36  molprobity  
56  56  11  24  3.46  37  4.91  molprobity  
57  57  11  21  2.60  32  3.93  molprobity  
58  58   9  25  3.38  39  4.53  molprobity  
59  59  11  22  3.72  34  3.67  molprobity  
60  60  10  24  3.87  35  3.53  molprobity  
61  61  12  18  2.45  28  3.62  molprobity  
62  62   9  24  2.88  37  4.58  molprobity  
63  63  11  21  3.00  32  3.26  molprobity  
64  64   9  25  3.76  39  4.72  molprobity  
65  65  12  22  3.71  34  3.11  molprobity  
66  66  10  24  3.86  35  4.25  molprobity  
67  67  12  18  2.51  28  3.52  molprobity  
68  68  11  24  4.13  37  4.31  molprobity  
69  69  11  21  2.87  32  3.63  molprobity  
70  70  11  25  3.33  39  3.15  molprobity  
71  71  12  22  2.68  34  3.02  molprobity  
72  72  12  24  3.77  35  4.32  molprobity  
73  73  12  18  2.71  28  3.31  molprobity  
74  74  11  24  3.48  37  4.66  molprobity  
75  75  11  21  2.19  32  3.27  molprobity  
76  76   9  25  3.97  39  4.31  molprobity  
77  77  12  22  3.69  34  4.88  molprobity  
78  78  11  24  4.22  35  2.69  molprobity  
79  79  12  18  2.50  28  4.11  molprobity  
80  80   9  24  3.62  37  4.23  molprobity  
81  81  11  21  2.79  32  2.75  molprobity  
82  82  11  25  2.61  39  3.48  molprobity  
83  83  12  22  3.35  34  3.45  molprobity  
84  84  12  24  3.49  35  4.22  molprobity  
85  85  10  18  3.37  28  5.02  molprobity  
86  86  11  24  3.84  37  4.86  molprobity  
87  87   9  21  3.11  32  3.77  molprobity  
88  88   9  25  3.62  39  4.99  molprobity  
89  89  12  22  3.78  34  5.78  molprobity  
90  90  12  24  3.36  35  3.13  molprobity  
91  91  10  18  3.00  28  5.22  molprobity  
92  92  11  24  3.96  37  5.13  molprobity  
93  93  11  21  2.01  32  2.93  molprobity  
94  94   9  25  3.23  39  3.95  molprobity  
95  95  12  22  3.97  34  3.17  molprobity  
96  96  12  24  3.62  35  3.97  molprobity  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1   2  C2   1  0.49  3.01  
 2   3  C2   1  0.49  3.01  
 3   4  C2   2  0.43  3.07  
 4  10  C2   2  0.43  3.07  
 5  14  C2   3  0.45  3.05  
 6  14  C2   4  0.42  2.88  
 7  15  C2   3  0.45  3.05  
 8  15  N3   4  0.42  2.88  
 9  20  C2   5  0.43  3.07  
10  21  C2   5  0.43  3.07  
11  22  C5   6  0.40  3.09  
12  23  C4   6  0.40  3.09  
13  26  C2   7  0.42  2.88  
14  27  N3   7  0.42  2.88  
15  28  C2   8  0.51  2.99  
16  34  C2   8  0.51  2.99  
17  38  C2   9  0.46  2.84  
18  39  N3   9  0.46  2.84  
19  44  C2  10  0.46  3.04  
20  45  C2  10  0.46  3.04  
21  58  C2  11  0.47  3.02  
22  59  C2  11  0.47  3.02  
23  62  C2  12  0.43  2.87  
24  63  C2  13  0.49  3.01  
25  63  N3  12  0.43  2.87  
26  64  C5  13  0.49  3.01  
27  70  C2  14  0.47  3.03  
28  71  C2  14  0.47  3.03  
29  80  C2  15  0.41  2.89  
30  81  N3  15  0.41  2.89  
31  83  C2  16  0.47  3.03  
32  84  C8  16  0.47  3.03  
33  86  C2  17  0.46  2.83  
34  87  N3  17  0.46  2.83  
35  88  C4  18  0.42  3.07  
36  89  C4  18  0.42  3.07  
37  92  C2  19  0.50  2.99  
38  92  C2  20  0.43  2.86  
39  93  C2  19  0.50  2.99  
40  93  C2  21  0.43  3.06  
41  93  N3  20  0.43  2.86  
42  94  C5  21  0.43  3.06  
43  94  C2  22  0.42  3.07  
44  95  C2  22  0.42  3.07  
#
loop_
_pdbx_vrpt_instance_intra_plane_outliers.ordinal
_pdbx_vrpt_instance_intra_plane_outliers.instance_id
_pdbx_vrpt_instance_intra_plane_outliers.type
_pdbx_vrpt_instance_intra_plane_outliers.plane_rmsd
 1   2  sidechain  0.11  
 2   3  sidechain  0.10  
 3   4  sidechain  0.06  
 4   5  sidechain  0.10  
 5   6  sidechain  0.09  
 6   7  sidechain  0.09  
 7   8  sidechain  0.15  
 8   9  sidechain  0.15  
 9  11  sidechain  0.06  
10  12  sidechain  0.07  
11  14  sidechain  0.07  
12  15  sidechain  0.09  
13  17  sidechain  0.07  
14  18  sidechain  0.12  
15  20  sidechain  0.11  
16  21  sidechain  0.08  
17  22  sidechain  0.06  
18  26  sidechain  0.09  
19  29  sidechain  0.13  
20  30  sidechain  0.09  
21  31  sidechain  0.07  
22  32  sidechain  0.07  
23  33  sidechain  0.07  
24  34  sidechain  0.06  
25  35  sidechain  0.10  
26  37  sidechain  0.12  
27  38  sidechain  0.12  
28  39  sidechain  0.09  
29  40  sidechain  0.06  
30  44  sidechain  0.10  
31  45  sidechain  0.12  
32  46  sidechain  0.07  
33  48  sidechain  0.10  
34  50  sidechain  0.09  
35  51  sidechain  0.08  
36  53  sidechain  0.08  
37  54  sidechain  0.08  
38  56  sidechain  0.09  
39  57  sidechain  0.10  
40  59  sidechain  0.09  
41  60  sidechain  0.10  
42  62  sidechain  0.10  
43  63  sidechain  0.13  
44  65  sidechain  0.08  
45  67  sidechain  0.09  
46  68  sidechain  0.06  
47  69  sidechain  0.09  
48  71  sidechain  0.08  
49  72  sidechain  0.07  
50  73  sidechain  0.13  
51  74  sidechain  0.13  
52  75  sidechain  0.08  
53  76  sidechain  0.08  
54  77  sidechain  0.08  
55  80  sidechain  0.08  
56  82  sidechain  0.06  
57  83  sidechain  0.15  
58  87  sidechain  0.08  
59  88  sidechain  0.08  
60  89  sidechain  0.10  
61  90  sidechain  0.08  
62  91  sidechain  0.07  
63  93  sidechain  0.12  
64  96  sidechain  0.09  
#
loop_
_pdbx_vrpt_instance_intra_bond_outliers.ordinal
_pdbx_vrpt_instance_intra_bond_outliers.instance_id
_pdbx_vrpt_instance_intra_bond_outliers.atom_1
_pdbx_vrpt_instance_intra_bond_outliers.atom_2
_pdbx_vrpt_instance_intra_bond_outliers.obs
_pdbx_vrpt_instance_intra_bond_outliers.mean
_pdbx_vrpt_instance_intra_bond_outliers.stdev
_pdbx_vrpt_instance_intra_bond_outliers.Z
_pdbx_vrpt_instance_intra_bond_outliers.link
  1   1  "C4'"  "O4'"  1.395  1.446  0.010   -5.13  ?     
  2   1  N1     C6     1.337  1.367  0.006   -5.03  ?     
  3   2  C5     C4     1.347  1.383  0.007   -5.11  ?     
  4   2  C5     C6     1.351  1.406  0.009   -6.11  ?     
  5   3  "C4'"  "O4'"  1.395  1.446  0.010   -5.11  ?     
  6   3  N1     C2     1.449  1.397  0.010    5.17  ?     
  7   3  N3     C4     1.376  1.335  0.007    5.89  ?     
  8   4  C6     N1     1.348  1.391  0.007   -6.08  ?     
  9   4  N3     C4     1.408  1.350  0.007    8.35  ?     
 10   5  "C2'"  "C1'"  1.597  1.519  0.010    7.77  ?     
 11   5  "C4'"  "O4'"  1.390  1.446  0.010   -5.57  ?     
 12   5  C5     C7     1.528  1.496  0.006    5.33  ?     
 13   5  N1     C6     1.338  1.378  0.007   -5.78  ?     
 14   6  N1     C2     1.302  1.373  0.008   -8.92  ?     
 15   6  N9     C4     1.324  1.375  0.008   -6.40  ?     
 16   6  P      "O5'"  1.663  1.593  0.010    7.02  ?     
 17   7  "C4'"  "O4'"  1.369  1.446  0.010   -7.66  ?     
 18   7  N1     C6     1.330  1.367  0.006   -6.12  ?     
 19   8  "C4'"  "C3'"  1.587  1.529  0.010    5.79  ?     
 20   8  C6     N1     1.309  1.351  0.007   -5.98  ?     
 21   8  N7     C5     1.420  1.388  0.006    5.33  ?     
 22   8  N9     C4     1.417  1.374  0.006    7.20  ?     
 23   9  "O3'"  P      1.494  1.607  0.012   -9.44  Y     
 24   9  "C4'"  "O4'"  1.366  1.446  0.010   -7.96  ?     
 25   9  N3     C4     1.374  1.335  0.007    5.51  ?     
 26   9  P      "O5'"  1.537  1.593  0.010   -5.57  ?     
 27  10  C2     N2     1.262  1.341  0.010   -7.92  ?     
 28  10  "C5'"  "C4'"  1.565  1.509  0.011    5.07  ?     
 29  10  C6     N1     1.355  1.391  0.007   -5.08  ?     
 30  10  N7     C5     1.434  1.388  0.006    7.71  ?     
 31  10  N9     C4     1.423  1.375  0.008    6.02  ?     
 32  11  "O3'"  P      1.517  1.607  0.012   -7.52  Y     
 33  11  C5     C6     1.382  1.339  0.007    6.13  ?     
 34  11  C5     C7     1.545  1.496  0.006    8.12  ?     
 35  11  N1     C2     1.484  1.376  0.008   13.45  ?     
 36  12  C2     N2     1.281  1.341  0.010   -6.05  ?     
 37  12  "C5'"  "C4'"  1.451  1.509  0.011   -5.29  ?     
 38  12  C8     N7     1.349  1.305  0.006    7.32  ?     
 39  13  "C2'"  "C1'"  1.582  1.519  0.010    6.32  ?     
 40  13  C4     N4     1.266  1.335  0.009   -7.62  ?     
 41  13  C5     C6     1.389  1.339  0.008    6.22  ?     
 42  13  N3     C4     1.277  1.335  0.007   -8.30  ?     
 43  14  "C4'"  "C3'"  1.455  1.521  0.010   -6.64  ?     
 44  14  C6     N1     1.288  1.351  0.007   -8.95  ?     
 45  14  C6     N6     1.290  1.335  0.008   -5.67  ?     
 46  14  N3     C4     1.425  1.344  0.006   13.56  ?     
 47  15  "C2'"  "C1'"  1.578  1.519  0.010    5.95  ?     
 48  15  "C4'"  "O4'"  1.381  1.446  0.010   -6.53  ?     
 49  15  C5     C6     1.395  1.339  0.008    6.96  ?     
 50  15  N1     C2     1.475  1.397  0.010    7.82  ?     
 51  16  C2     N2     1.270  1.341  0.010   -7.07  ?     
 52  16  C2     N3     1.393  1.323  0.008    8.77  ?     
 53  16  C5     C6     1.472  1.419  0.010    5.26  ?     
 54  16  C6     O6     1.290  1.237  0.009    5.91  ?     
 55  16  N9     C8     1.338  1.374  0.007   -5.10  ?     
 56  17  C2     N3     1.418  1.373  0.008    5.59  ?     
 57  17  C4     C5     1.497  1.445  0.009    5.76  ?     
 58  17  "C5'"  "C4'"  1.593  1.509  0.011    7.66  ?     
 59  17  N1     C6     1.338  1.378  0.007   -5.71  ?     
 60  18  "C3'"  "C2'"  1.583  1.518  0.012    5.40  ?     
 61  18  C5     C4     1.342  1.379  0.007   -5.29  ?     
 62  19  "C4'"  "O4'"  1.385  1.446  0.010   -6.08  ?     
 63  19  N1     C6     1.333  1.367  0.006   -5.58  ?     
 64  20  "C2'"  "C1'"  1.453  1.518  0.010   -6.54  ?     
 65  20  "C4'"  "O4'"  1.391  1.446  0.010   -5.54  ?     
 66  20  N1     C2     1.286  1.339  0.009   -5.85  ?     
 67  21  C4     C5     1.363  1.425  0.008   -7.81  ?     
 68  21  C4     N4     1.281  1.335  0.009   -6.01  ?     
 69  21  C5     C6     1.387  1.339  0.008    5.94  ?     
 70  21  N3     C4     1.299  1.335  0.007   -5.19  ?     
 71  22  C5     C6     1.477  1.419  0.010    5.82  ?     
 72  22  C6     N1     1.355  1.391  0.007   -5.14  ?     
 73  22  N7     C5     1.446  1.388  0.006    9.65  ?     
 74  23  C4     C5     1.493  1.445  0.009    5.34  ?     
 75  23  C5     C7     1.546  1.496  0.006    8.25  ?     
 76  24  C2     N2     1.274  1.341  0.010   -6.66  ?     
 77  24  N3     C4     1.386  1.350  0.007    5.10  ?     
 78  25  "O3'"  P      1.525  1.607  0.012   -6.83  Y     
 79  26  P      "O5'"  1.703  1.593  0.010   11.05  ?     
 80  27  C4     N4     1.281  1.335  0.009   -5.95  ?     
 81  27  "C5'"  "C4'"  1.569  1.509  0.011    5.42  ?     
 82  28  C2     N2     1.288  1.341  0.010   -5.28  ?     
 83  28  "C4'"  "O4'"  1.366  1.446  0.010   -8.04  ?     
 84  28  N3     C4     1.394  1.350  0.007    6.22  ?     
 85  29  "C4'"  "O4'"  1.393  1.446  0.010   -5.27  ?     
 86  30  "C5'"  "C4'"  1.565  1.509  0.011    5.07  ?     
 87  30  C6     N1     1.352  1.391  0.007   -5.53  ?     
 88  30  N9     C4     1.321  1.375  0.008   -6.69  ?     
 89  31  N3     C4     1.292  1.335  0.007   -6.18  ?     
 90  32  N3     C4     1.414  1.344  0.006   11.67  ?     
 91  32  N7     C5     1.418  1.388  0.006    5.03  ?     
 92  33  "C2'"  "C1'"  1.599  1.519  0.010    7.96  ?     
 93  33  "C3'"  "O3'"  1.367  1.435  0.013   -5.22  ?     
 94  34  C5     C4     1.428  1.379  0.007    7.00  ?     
 95  34  C6     N1     1.327  1.391  0.007   -9.15  ?     
 96  34  C8     N7     1.337  1.305  0.006    5.36  ?     
 97  34  N1     C2     1.320  1.373  0.008   -6.65  ?     
 98  34  N3     C4     1.400  1.350  0.007    7.18  ?     
 99  35  "C2'"  "C1'"  1.609  1.519  0.010    8.97  ?     
100  35  C5     C7     1.550  1.496  0.006    9.00  ?     
101  35  N1     C2     1.422  1.376  0.008    5.79  ?     
102  36  C5     C4     1.342  1.379  0.007   -5.29  ?     
103  36  N1     C2     1.327  1.373  0.008   -5.71  ?     
104  36  N7     C5     1.418  1.388  0.006    5.00  ?     
105  36  N9     C8     1.414  1.374  0.007    5.66  ?     
106  37  C4     C5     1.467  1.425  0.008    5.22  ?     
107  37  N3     C4     1.372  1.335  0.007    5.27  ?     
108  38  "O3'"  P      1.701  1.607  0.012    7.80  Y     
109  38  N3     C4     1.378  1.344  0.006    5.58  ?     
110  38  N7     C5     1.471  1.388  0.006   13.76  ?     
111  38  N9     C4     1.328  1.374  0.006   -7.67  ?     
112  39  "C3'"  "C2'"  1.578  1.518  0.012    5.01  ?     
113  39  "C4'"  "C3'"  1.597  1.529  0.010    6.80  ?     
114  40  N1     C2     1.308  1.373  0.008   -8.18  ?     
115  40  N3     C4     1.401  1.350  0.007    7.23  ?     
116  41  C4     C5     1.497  1.445  0.009    5.83  ?     
117  41  "C4'"  "O4'"  1.390  1.446  0.010   -5.62  ?     
118  42  C2     N2     1.287  1.341  0.010   -5.39  ?     
119  42  C5     C4     1.339  1.379  0.007   -5.75  ?     
120  42  C6     N1     1.429  1.391  0.007    5.44  ?     
121  42  C8     N7     1.342  1.305  0.006    6.15  ?     
122  42  N1     C2     1.314  1.373  0.008   -7.35  ?     
123  42  N9     C8     1.322  1.374  0.007   -7.36  ?     
124  43  "C4'"  "C3'"  1.592  1.529  0.010    6.32  ?     
125  43  N3     C4     1.287  1.335  0.007   -6.80  ?     
126  44  C6     N6     1.268  1.335  0.008   -8.36  ?     
127  44  N3     C4     1.376  1.344  0.006    5.31  ?     
128  45  "C4'"  "C3'"  1.471  1.521  0.010   -5.03  ?     
129  45  C5     C6     1.408  1.339  0.008    8.68  ?     
130  45  N1     C6     1.305  1.367  0.006  -10.33  ?     
131  46  C2     N2     1.290  1.341  0.010   -5.07  ?     
132  46  C6     N1     1.437  1.391  0.007    6.62  ?     
133  46  N7     C5     1.426  1.388  0.006    6.31  ?     
134  46  N9     C4     1.328  1.375  0.008   -5.83  ?     
135  46  P      "O5'"  1.678  1.593  0.010    8.53  ?     
136  47  "C2'"  "C1'"  1.586  1.519  0.010    6.71  ?     
137  47  C5     C7     1.555  1.496  0.006    9.75  ?     
138  48  C2     N2     1.283  1.341  0.010   -5.81  ?     
139  48  "C4'"  "C3'"  1.600  1.529  0.010    7.09  ?     
140  48  C6     N1     1.345  1.391  0.007   -6.58  ?     
141  48  N3     C4     1.395  1.350  0.007    6.45  ?     
142  48  N7     C5     1.430  1.388  0.006    7.07  ?     
143  48  N9     C8     1.328  1.374  0.007   -6.61  ?     
144  49  "C3'"  "O3'"  1.353  1.435  0.013   -6.34  ?     
145  49  "C5'"  "C4'"  1.582  1.509  0.011    6.66  ?     
146  49  N3     C4     1.299  1.335  0.007   -5.10  ?     
147  50  "C4'"  "O4'"  1.363  1.446  0.010   -8.28  ?     
148  50  C5     C6     1.486  1.406  0.009    8.90  ?     
149  50  C6     N1     1.306  1.351  0.007   -6.43  ?     
150  50  N9     C8     1.330  1.373  0.008   -5.38  ?     
151  51  C4     N4     1.231  1.335  0.009  -11.53  ?     
152  52  C2     N2     1.280  1.341  0.010   -6.07  ?     
153  52  C2     N3     1.372  1.323  0.008    6.15  ?     
154  52  "C5'"  "C4'"  1.451  1.509  0.011   -5.27  ?     
155  52  C6     N1     1.429  1.391  0.007    5.38  ?     
156  52  C8     N7     1.269  1.305  0.006   -5.95  ?     
157  52  N9     C4     1.330  1.375  0.008   -5.66  ?     
158  53  "C2'"  "C1'"  1.596  1.519  0.010    7.73  ?     
159  53  C2     O2     1.263  1.220  0.008    5.39  ?     
160  53  "C3'"  "O3'"  1.361  1.435  0.013   -5.73  ?     
161  54  C2     N2     1.252  1.341  0.010   -8.95  ?     
162  54  "C4'"  "C3'"  1.463  1.521  0.010   -5.79  ?     
163  54  "C4'"  "O4'"  1.363  1.446  0.010   -8.30  ?     
164  54  C5     C6     1.476  1.419  0.010    5.74  ?     
165  54  C6     N1     1.335  1.391  0.007   -7.97  ?     
166  54  N3     C4     1.404  1.350  0.007    7.69  ?     
167  54  N7     C5     1.429  1.388  0.006    6.88  ?     
168  54  N9     C4     1.420  1.375  0.008    5.57  ?     
169  54  "O4'"  "C1'"  1.311  1.418  0.012   -8.94  ?     
170  55  "C4'"  "C3'"  1.596  1.529  0.010    6.71  ?     
171  55  N3     C4     1.274  1.335  0.007   -8.70  ?     
172  56  "C4'"  "O4'"  1.387  1.446  0.010   -5.88  ?     
173  56  C6     N1     1.302  1.351  0.007   -7.04  ?     
174  56  N1     C2     1.288  1.339  0.009   -5.62  ?     
175  56  N3     C4     1.401  1.344  0.006    9.51  ?     
176  56  N7     C5     1.420  1.388  0.006    5.26  ?     
177  57  "C4'"  "O4'"  1.391  1.446  0.010   -5.54  ?     
178  58  "O3'"  P      1.527  1.607  0.012   -6.66  Y     
179  58  C2     N2     1.267  1.341  0.010   -7.42  ?     
180  58  "C3'"  "O3'"  1.365  1.435  0.013   -5.39  ?     
181  58  C5     C6     1.476  1.419  0.010    5.70  ?     
182  58  N7     C5     1.356  1.388  0.006   -5.36  ?     
183  59  C2     O2     1.166  1.220  0.008   -6.73  ?     
184  59  C5     C6     1.387  1.339  0.007    6.87  ?     
185  59  N1     C6     1.435  1.378  0.007    8.20  ?     
186  60  "C2'"  "C1'"  1.615  1.519  0.010    9.59  ?     
187  60  C2     N2     1.264  1.341  0.010   -7.74  ?     
188  60  "C4'"  "O4'"  1.497  1.446  0.010    5.08  ?     
189  60  C5     C4     1.328  1.379  0.007   -7.22  ?     
190  60  N9     C8     1.339  1.374  0.007   -5.07  ?     
191  61  "C4'"  "O4'"  1.394  1.446  0.010   -5.18  ?     
192  62  C6     N6     1.282  1.335  0.008   -6.65  ?     
193  62  N1     C2     1.286  1.339  0.009   -5.92  ?     
194  63  C2     O2     1.285  1.240  0.009    5.05  ?     
195  63  "C4'"  "O4'"  1.374  1.446  0.010   -7.19  ?     
196  64  "O3'"  P      1.526  1.607  0.012   -6.75  Y     
197  64  C2     N2     1.266  1.341  0.010   -7.53  ?     
198  64  "C4'"  "C3'"  1.594  1.529  0.010    6.54  ?     
199  64  N1     C2     1.312  1.373  0.008   -7.63  ?     
200  64  N7     C5     1.425  1.388  0.006    6.18  ?     
201  64  P      "O5'"  1.646  1.593  0.010    5.29  ?     
202  65  "O3'"  P      1.531  1.607  0.012   -6.32  Y     
203  65  N1     C2     1.334  1.376  0.008   -5.21  ?     
204  65  N1     C6     1.317  1.378  0.007   -8.72  ?     
205  66  C2     N2     1.254  1.341  0.010   -8.75  ?     
206  66  N3     C4     1.400  1.350  0.007    7.11  ?     
207  66  N9     C8     1.319  1.374  0.007   -7.87  ?     
208  67  C4     C5     1.469  1.425  0.008    5.54  ?     
209  68  "C4'"  "O4'"  1.395  1.446  0.010   -5.12  ?     
210  68  C5     C4     1.342  1.383  0.007   -5.89  ?     
211  68  C5     C6     1.455  1.406  0.009    5.41  ?     
212  68  N3     C4     1.396  1.344  0.006    8.62  ?     
213  68  N7     C5     1.454  1.388  0.006   11.06  ?     
214  68  P      "O5'"  1.540  1.593  0.010   -5.30  ?     
215  69  "C2'"  "C1'"  1.584  1.519  0.010    6.54  ?     
216  70  C8     N7     1.265  1.305  0.006   -6.67  ?     
217  70  N7     C5     1.438  1.388  0.006    8.34  ?     
218  70  N9     C8     1.336  1.374  0.007   -5.37  ?     
219  71  "C4'"  "C3'"  1.590  1.529  0.010    6.06  ?     
220  71  C5     C6     1.376  1.339  0.007    5.30  ?     
221  72  "C2'"  "C1'"  1.576  1.519  0.010    5.70  ?     
222  72  "C4'"  "O4'"  1.356  1.446  0.010   -9.00  ?     
223  72  C8     N7     1.346  1.305  0.006    6.90  ?     
224  72  N1     C2     1.329  1.373  0.008   -5.54  ?     
225  72  N7     C5     1.433  1.388  0.006    7.49  ?     
226  73  "C4'"  "O4'"  1.382  1.446  0.010   -6.36  ?     
227  74  "O3'"  P      1.515  1.607  0.012   -7.65  Y     
228  74  "C5'"  "C4'"  1.573  1.509  0.011    5.81  ?     
229  74  C8     N7     1.270  1.311  0.007   -5.81  ?     
230  74  N3     C4     1.386  1.344  0.006    7.02  ?     
231  76  C2     N2     1.230  1.341  0.010  -11.12  ?     
232  76  "C4'"  "C3'"  1.605  1.529  0.010    7.61  ?     
233  76  C5     C4     1.419  1.379  0.007    5.78  ?     
234  76  C6     N1     1.342  1.391  0.007   -6.96  ?     
235  76  C8     N7     1.272  1.305  0.006   -5.54  ?     
236  76  N1     C2     1.327  1.373  0.008   -5.77  ?     
237  77  C5     C7     1.576  1.496  0.006   13.28  ?     
238  78  "C3'"  "C2'"  1.453  1.518  0.012   -5.42  ?     
239  78  C6     N1     1.335  1.391  0.007   -8.04  ?     
240  78  N1     C2     1.292  1.373  0.008  -10.13  ?     
241  78  N7     C5     1.337  1.388  0.006   -8.57  ?     
242  78  P      "O5'"  1.671  1.593  0.010    7.77  ?     
243  80  "C4'"  "O4'"  1.394  1.446  0.010   -5.24  ?     
244  80  C6     N6     1.264  1.335  0.008   -8.94  ?     
245  80  C8     N7     1.353  1.311  0.007    6.07  ?     
246  80  N3     C4     1.383  1.344  0.006    6.44  ?     
247  80  N9     C8     1.317  1.373  0.008   -6.95  ?     
248  81  C5     C6     1.384  1.339  0.008    5.58  ?     
249  81  N3     C4     1.299  1.335  0.007   -5.14  ?     
250  82  C8     N7     1.341  1.305  0.006    5.92  ?     
251  82  N1     C2     1.320  1.373  0.008   -6.68  ?     
252  83  C4     C5     1.527  1.445  0.009    9.11  ?     
253  83  "C4'"  "O4'"  1.518  1.446  0.010    7.21  ?     
254  84  C2     N3     1.368  1.323  0.008    5.62  ?     
255  84  C8     N7     1.338  1.305  0.006    5.53  ?     
256  84  N1     C2     1.326  1.373  0.008   -5.84  ?     
257  84  P      "O5'"  1.534  1.593  0.010   -5.88  ?     
258  85  C2     N3     1.303  1.353  0.008   -6.19  ?     
259  85  C4     N4     1.270  1.335  0.009   -7.19  ?     
260  85  "C4'"  "O4'"  1.369  1.446  0.010   -7.75  ?     
261  86  C6     N1     1.300  1.351  0.007   -7.25  ?     
262  86  N3     C4     1.378  1.344  0.006    5.67  ?     
263  86  N7     C5     1.350  1.388  0.006   -6.33  ?     
264  86  N9     C4     1.309  1.374  0.006  -10.77  ?     
265  86  P      "O5'"  1.536  1.593  0.010   -5.68  ?     
266  87  "C3'"  "O3'"  1.348  1.435  0.013   -6.68  ?     
267  87  C4     N4     1.262  1.335  0.009   -8.09  ?     
268  88  C2     N2     1.277  1.341  0.010   -6.42  ?     
269  88  N3     C4     1.424  1.350  0.007   10.53  ?     
270  88  N7     C5     1.440  1.388  0.006    8.70  ?     
271  89  "C5'"  "C4'"  1.590  1.509  0.011    7.34  ?     
272  89  C5     C6     1.393  1.339  0.007    7.66  ?     
273  89  C5     C7     1.531  1.496  0.006    5.78  ?     
274  89  N1     C2     1.425  1.376  0.008    6.10  ?     
275  89  "O4'"  "C1'"  1.338  1.418  0.012   -6.67  ?     
276  90  C5     C4     1.339  1.379  0.007   -5.75  ?     
277  90  N7     C5     1.432  1.388  0.006    7.34  ?     
278  90  N9     C8     1.421  1.374  0.007    6.75  ?     
279  91  "C3'"  "O3'"  1.369  1.435  0.013   -5.11  ?     
280  91  C4     N4     1.290  1.335  0.009   -5.05  ?     
281  92  C6     N1     1.257  1.351  0.007  -13.36  ?     
282  92  C8     N7     1.262  1.311  0.007   -7.07  ?     
283  93  "O3'"  P      1.527  1.607  0.012   -6.63  Y     
284  94  "C2'"  "C1'"  1.599  1.519  0.010    7.95  ?     
285  94  C2     N2     1.281  1.341  0.010   -6.01  ?     
286  94  N1     C2     1.314  1.373  0.008   -7.36  ?     
287  95  "C4'"  "C3'"  1.586  1.529  0.010    5.72  ?     
288  95  "C5'"  "C4'"  1.587  1.509  0.011    7.11  ?     
289  95  C5     C7     1.550  1.496  0.006    9.01  ?     
290  95  N3     C4     1.330  1.382  0.008   -6.44  ?     
291  96  "C3'"  "C2'"  1.596  1.518  0.012    6.51  ?     
292  96  C8     N7     1.342  1.305  0.006    6.16  ?     
293  96  N3     C4     1.404  1.350  0.007    7.77  ?     
294  96  N9     C8     1.336  1.374  0.007   -5.42  ?     
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
_pdbx_vrpt_instance_intra_angle_outliers.link
  1   1  C2     N3     C4     113.751  119.900  0.500  -12.30  ?     
  2   1  C4     C5     C6     113.440  117.400  0.500   -7.92  ?     
  3   1  N1     C2     O2     123.781  118.900  0.600    8.14  ?     
  4   1  N3     C2     O2     113.208  121.900  0.700  -12.42  ?     
  5   1  N3     C4     C5     126.802  121.900  0.400   12.25  ?     
  6   1  N3     C4     N4     110.835  118.000  0.700  -10.24  ?     
  7   1  "O4'"  "C4'"  "C3'"  102.275  104.500  0.400   -5.56  ?     
  8   2  P      "O3'"  "C3'"  126.193  119.700  1.200    5.41  Y     
  9   2  C5     C6     N1     120.358  117.700  0.500    5.32  ?     
 10   2  C5     C6     N6     131.152  123.700  0.800    9.32  ?     
 11   2  N1     C6     N6     108.482  118.600  0.600  -16.86  ?     
 12   2  "O4'"  "C1'"  N9     103.637  108.000  0.700   -6.23  ?     
 13   3  "C4'"  "C3'"  "C2'"   97.610  103.100  0.900   -6.10  ?     
 14   3  "O4'"  "C4'"  "C3'"  111.355  106.000  0.600    8.92  ?     
 15   4  C8     N9     C4     103.836  106.400  0.400   -6.41  ?     
 16   4  N1     C6     O6     115.387  119.900  0.600   -7.52  ?     
 17   4  N3     C4     C5     123.648  128.600  0.500   -9.90  ?     
 18   4  N9     C4     C5     107.565  105.400  0.400    5.41  ?     
 19   4  "O4'"  "C1'"  "C2'"  111.381  105.900  0.800    6.85  ?     
 20   4  "O4'"  "C4'"  "C3'"  109.979  106.000  0.600    6.63  ?     
 21   5  P      "O3'"  "C3'"  126.531  119.700  1.200    5.69  Y     
 22   5  C2     N3     C4     122.996  127.200  0.600   -7.01  ?     
 23   5  C5     C4     O4     119.838  124.900  0.700   -7.23  ?     
 24   5  N1     C2     O2     119.036  123.100  0.800   -5.08  ?     
 25   5  N3     C2     O2     125.330  122.300  0.600    5.05  ?     
 26   5  "O4'"  "C1'"  "C2'"  101.056  105.900  0.800   -6.05  ?     
 27   6  N3     C2     N2     123.668  119.900  0.700    5.38  ?     
 28   6  N3     C4     C5     124.219  128.600  0.500   -8.76  ?     
 29   6  N3     C4     N9     129.503  126.000  0.600    5.84  ?     
 30   6  "O4'"  "C1'"  N9     111.593  108.000  0.700    5.13  ?     
 31   6  "O4'"  "C4'"  "C3'"  110.706  106.000  0.600    7.84  ?     
 32   7  C2     N3     C4     116.439  119.900  0.500   -6.92  ?     
 33   7  C5     C4     N4     124.615  120.200  0.700    6.31  ?     
 34   7  N1     C2     O2     123.545  118.900  0.600    7.74  ?     
 35   7  N3     C2     O2     115.744  121.900  0.700   -8.79  ?     
 36   7  N3     C4     N4     112.082  118.000  0.700   -8.46  ?     
 37   7  "O4'"  "C1'"  N1     114.909  108.000  0.700    9.87  ?     
 38   8  N1     C2     N3     126.575  129.300  0.500   -5.45  ?     
 39   9  P      "O3'"  "C3'"  127.147  119.700  1.200    6.21  Y     
 40   9  C2     N3     C4     114.952  119.900  0.500   -9.90  ?     
 41   9  C5     C4     N4     125.473  120.200  0.700    7.53  ?     
 42   9  C6     N1     C2     116.618  120.300  0.400   -9.21  ?     
 43   9  N1     C2     N3     123.990  119.200  0.700    6.84  ?     
 44   9  N1     C2     O2     122.246  118.900  0.600    5.58  ?     
 45   9  N3     C2     O2     113.591  121.900  0.700  -11.87  ?     
 46   9  N3     C4     N4     111.594  118.000  0.700   -9.15  ?     
 47  10  C2     N3     C4     115.732  111.900  0.500    7.67  ?     
 48  10  N1     C6     O6     116.654  119.900  0.600   -5.41  ?     
 49  10  N3     C2     N2     123.709  119.900  0.700    5.44  ?     
 50  10  N3     C4     C5     123.761  128.600  0.500   -9.68  ?     
 51  11  "C1'"  "O4'"  "C4'"  104.910  110.100  1.000   -5.19  ?     
 52  11  "C4'"  "C3'"  "C2'"   95.433  103.100  0.900   -8.52  ?     
 53  11  C4     C5     C7     124.368  119.000  0.600    8.95  ?     
 54  11  C6     C5     C7     117.752  122.900  0.600   -8.58  ?     
 55  11  N1     C2     N3     109.635  114.600  0.600   -8.28  ?     
 56  11  N1     C2     O2     129.348  123.100  0.800    7.81  ?     
 57  11  N3     C4     O4     116.892  119.900  0.600   -5.01  ?     
 58  11  "O4'"  "C1'"  N1     114.994  108.000  0.700    9.99  ?     
 59  11  "O4'"  "C4'"  "C3'"  111.430  106.000  0.600    9.05  ?     
 60  12  C5     C6     O6     134.398  128.600  0.600    9.66  ?     
 61  12  N1     C2     N2     108.607  116.200  0.900   -8.44  ?     
 62  12  N1     C6     O6     113.562  119.900  0.600  -10.56  ?     
 63  12  N3     C2     N2     125.960  119.900  0.700    8.66  ?     
 64  12  N3     C4     C5     123.073  128.600  0.500  -11.05  ?     
 65  12  N3     C4     N9     130.729  126.000  0.600    7.88  ?     
 66  13  "C1'"  "O4'"  "C4'"  103.421  110.100  1.000   -6.68  ?     
 67  13  C5     C6     N1     116.271  121.000  0.500   -9.46  ?     
 68  13  C6     N1     C2     122.822  120.300  0.400    6.30  ?     
 69  13  N1     C2     O2     124.069  118.900  0.600    8.62  ?     
 70  13  N3     C2     O2     114.329  121.900  0.700  -10.82  ?     
 71  13  N3     C4     N4     113.155  118.000  0.700   -6.92  ?     
 72  13  "O4'"  "C1'"  N1     116.947  108.000  0.700   12.78  ?     
 73  13  "O4'"  "C4'"  "C3'"  111.204  106.000  0.600    8.67  ?     
 74  14  OP1    P      "O3'"  117.441  105.200  2.200    5.56  Y     
 75  14  C4     C5     C6     113.549  117.000  0.500   -6.90  ?     
 76  14  C5     C6     N1     121.918  117.700  0.500    8.44  ?     
 77  14  C5     N7     C8     100.684  103.900  0.500   -6.43  ?     
 78  14  N1     C2     N3     125.380  129.300  0.500   -7.84  ?     
 79  14  N1     C6     N6     114.195  118.600  0.600   -7.34  ?     
 80  14  N7     C8     N9     116.632  113.800  0.500    5.67  ?     
 81  14  "O4'"  "C1'"  N9     103.498  108.000  0.700   -6.43  ?     
 82  14  "O4'"  "C4'"  "C3'"  111.615  106.000  0.600    9.36  ?     
 83  15  "C1'"  "O4'"  "C4'"  116.693  110.100  1.000    6.59  ?     
 84  15  C2     N3     C4     117.135  119.900  0.500   -5.53  ?     
 85  15  C5     C6     N1     123.531  121.000  0.500    5.06  ?     
 86  15  C6     N1     C2     114.346  120.300  0.400  -14.89  ?     
 87  15  N1     C2     N3     123.702  119.200  0.700    6.43  ?     
 88  15  N3     C2     O2     115.532  121.900  0.700   -9.10  ?     
 89  15  "O4'"  "C1'"  "C2'"  100.848  105.900  0.800   -6.32  ?     
 90  15  "O4'"  "C1'"  N1     111.907  108.000  0.700    5.58  ?     
 91  16  C2     N3     C4     115.986  111.900  0.500    8.17  ?     
 92  16  C5     C6     N1     114.277  111.500  0.500    5.55  ?     
 93  16  C5     C6     O6     133.393  128.600  0.600    7.99  ?     
 94  16  C5     N7     C8     100.802  104.300  0.500   -7.00  ?     
 95  16  C6     N1     C2     121.667  125.100  0.600   -5.72  ?     
 96  16  N1     C6     O6     112.293  119.900  0.600  -12.68  ?     
 97  16  N3     C4     C5     124.147  128.600  0.500   -8.91  ?     
 98  16  "O5'"  P      OP2    100.594  105.700  0.900   -5.67  ?     
 99  17  C4     C5     C6     122.744  118.000  0.600    7.91  ?     
100  17  C5     C4     O4     129.727  124.900  0.700    6.89  ?     
101  17  C6     C5     C7     119.322  122.900  0.600   -5.96  ?     
102  17  C6     N1     C2     118.200  121.300  0.500   -6.20  ?     
103  17  N1     C2     N3     117.896  114.600  0.600    5.49  ?     
104  17  N3     C4     C5     109.954  115.200  0.600   -8.74  ?     
105  18  C2     N3     C4     115.363  111.900  0.500    6.93  ?     
106  18  C5     C6     O6     132.608  128.600  0.600    6.68  ?     
107  18  C8     N9     C4     104.084  106.400  0.400   -5.79  ?     
108  18  N1     C6     O6     115.936  119.900  0.600   -6.61  ?     
109  18  N3     C4     C5     125.256  128.600  0.500   -6.69  ?     
110  19  C2     N3     C4     115.434  119.900  0.500   -8.93  ?     
111  19  C4     C5     C6     122.038  117.400  0.500    9.28  ?     
112  19  C5     C4     N4     123.743  120.200  0.700    5.06  ?     
113  19  N1     C2     N3     123.581  119.200  0.700    6.26  ?     
114  20  C2     N3     C4     115.785  110.600  0.500   10.37  ?     
115  20  C4     C5     C6     113.400  117.000  0.500   -7.20  ?     
116  20  C5     C6     N6     129.395  123.700  0.800    7.12  ?     
117  20  C5     N7     C8     101.009  103.900  0.500   -5.78  ?     
118  20  C6     N1     C2     122.938  118.600  0.600    7.23  ?     
119  20  C8     N9     C4     102.029  105.800  0.400   -9.43  ?     
120  20  N1     C2     N3     123.700  129.300  0.500  -11.20  ?     
121  20  N1     C6     N6     111.397  118.600  0.600  -12.01  ?     
122  20  N7     C8     N9     118.067  113.800  0.500    8.53  ?     
123  20  "O4'"  "C1'"  N9     115.301  108.000  0.700   10.43  ?     
124  20  "O5'"  P      OP2    100.728  105.700  0.900   -5.53  ?     
125  21  C5     C4     N4     125.766  120.200  0.700    7.95  ?     
126  21  C5     C6     N1     118.350  121.000  0.500   -5.30  ?     
127  21  N3     C4     N4     111.638  118.000  0.700   -9.09  ?     
128  21  "O4'"  "C1'"  "C2'"  112.213  105.900  0.800    7.89  ?     
129  21  "O4'"  "C1'"  N1     103.633  108.000  0.700   -6.24  ?     
130  21  "O4'"  "C4'"  "C3'"  110.303  106.000  0.600    7.17  ?     
131  22  C5     C6     N1     108.640  111.500  0.500   -5.72  ?     
132  22  C5     N7     C8      96.388  104.300  0.500  -15.82  ?     
133  22  C6     N1     C2     129.470  125.100  0.600    7.28  ?     
134  22  C8     N9     C4     103.256  106.400  0.400   -7.86  ?     
135  22  N3     C4     N9     122.725  126.000  0.600   -5.46  ?     
136  22  N7     C8     N9     120.210  113.100  0.500   14.22  ?     
137  22  "O4'"  "C4'"  "C3'"  109.809  106.000  0.600    6.35  ?     
138  23  C6     N1     C2     117.953  121.300  0.500   -6.69  ?     
139  23  N1     C2     N3     117.626  114.600  0.600    5.04  ?     
140  23  N3     C2     O2     116.967  122.300  0.600   -8.89  ?     
141  23  N3     C4     C5     111.893  115.200  0.600   -5.51  ?     
142  23  "O4'"  "C1'"  N1     104.472  108.000  0.700   -5.04  ?     
143  24  "C1'"  "O4'"  "C4'"  105.061  110.100  1.000   -5.04  ?     
144  24  C2     N3     C4     114.688  111.900  0.500    5.58  ?     
145  24  C4     C5     C6     115.282  118.800  0.600   -5.86  ?     
146  24  C5     C6     N1     115.354  111.500  0.500    7.71  ?     
147  24  C6     C5     N7     134.265  130.400  0.600    6.44  ?     
148  24  C8     N9     C4     102.947  106.400  0.400   -8.63  ?     
149  24  N1     C2     N2     110.527  116.200  0.900   -6.30  ?     
150  24  N3     C2     N2     125.470  119.900  0.700    7.96  ?     
151  24  N9     C4     C5     107.700  105.400  0.400    5.75  ?     
152  25  "C4'"  "C3'"  "C2'"   98.439  103.100  0.900   -5.18  ?     
153  25  C6     N1     C2     117.622  120.300  0.400   -6.70  ?     
154  25  N1     C2     O2     124.192  118.900  0.600    8.82  ?     
155  25  N3     C2     O2     113.497  121.900  0.700  -12.01  ?     
156  25  "O4'"  "C1'"  "C2'"  100.688  105.900  0.800   -6.51  ?     
157  25  "O4'"  "C1'"  N1     115.660  108.000  0.700   10.94  ?     
158  26  C4     C5     C6     110.637  117.000  0.500  -12.72  ?     
159  26  C5     C6     N1     124.636  117.700  0.500   13.87  ?     
160  26  C5     N7     C8     100.341  103.900  0.500   -7.12  ?     
161  26  C6     N1     C2     113.909  118.600  0.600   -7.82  ?     
162  26  N1     C6     N6     109.440  118.600  0.600  -15.27  ?     
163  26  N7     C8     N9     116.882  113.800  0.500    6.16  ?     
164  26  "O4'"  "C1'"  N9     104.225  108.000  0.700   -5.39  ?     
165  27  C2     N3     C4     117.104  119.900  0.500   -5.59  ?     
166  27  C4     C5     C6     114.463  117.400  0.500   -5.87  ?     
167  27  C5     C4     N4     114.779  120.200  0.700   -7.75  ?     
168  27  N1     C2     O2     122.141  118.900  0.600    5.40  ?     
169  27  N3     C2     O2     118.040  121.900  0.700   -5.51  ?     
170  27  N3     C4     C5     126.976  121.900  0.400   12.69  ?     
171  27  "O4'"  "C4'"  "C3'"  109.147  106.000  0.600    5.25  ?     
172  28  P      "O3'"  "C3'"  129.486  119.700  1.200    8.15  Y     
173  28  C4     C5     C6     113.569  118.800  0.600   -8.72  ?     
174  28  C5     C6     N1     116.987  111.500  0.500   10.97  ?     
175  28  C5     N7     C8     101.471  104.300  0.500   -5.66  ?     
176  28  C6     C5     N7     135.753  130.400  0.600    8.92  ?     
177  28  C8     N9     C4     103.111  106.400  0.400   -8.22  ?     
178  28  N1     C6     O6     114.383  119.900  0.600   -9.20  ?     
179  28  N7     C8     N9     115.694  113.100  0.500    5.19  ?     
180  29  P      "O3'"  "C3'"  127.912  119.700  1.200    6.84  Y     
181  29  C2     N3     C4     122.329  127.200  0.600   -8.12  ?     
182  29  C4     C5     C7     122.399  119.000  0.600    5.67  ?     
183  29  "C5'"  "C4'"  "C3'"  123.601  114.100  1.800    5.28  ?     
184  29  C5     C4     O4     129.243  124.900  0.700    6.20  ?     
185  29  C5     C6     N1     120.047  123.700  0.600   -6.09  ?     
186  29  C6     C5     C7     117.509  122.900  0.600   -8.98  ?     
187  29  N3     C4     O4     115.391  119.900  0.600   -7.51  ?     
188  29  "O4'"  "C1'"  N1     102.199  108.000  0.700   -8.29  ?     
189  30  C8     N9     C4     108.535  106.400  0.400    5.34  ?     
190  30  "O4'"  "C1'"  N9     111.823  108.000  0.700    5.46  ?     
191  31  P      "O3'"  "C3'"  125.933  119.700  1.200    5.19  Y     
192  31  C2     N3     C4     123.232  119.900  0.500    6.66  ?     
193  31  C5     C4     N4     124.118  120.200  0.700    5.60  ?     
194  31  C6     N1     C2     116.322  120.300  0.400   -9.94  ?     
195  31  "O4'"  "C4'"  "C3'"  109.165  106.000  0.600    5.27  ?     
196  32  "C3'"  "C2'"  "C1'"  109.974  102.500  1.200    6.23  ?     
197  32  C4     C5     C6     114.461  117.000  0.500   -5.08  ?     
198  32  C4     C5     N7     115.063  110.700  0.500    8.73  ?     
199  32  C5     C6     N1     121.984  117.700  0.500    8.57  ?     
200  32  C5     C6     N6     128.264  123.700  0.800    5.71  ?     
201  32  C5     N7     C8      99.135  103.900  0.500   -9.53  ?     
202  32  C8     N9     C4     109.005  105.800  0.400    8.01  ?     
203  32  N1     C2     N3     126.189  129.300  0.500   -6.22  ?     
204  32  N1     C6     N6     109.284  118.600  0.600  -15.53  ?     
205  32  N3     C4     N9     132.420  127.400  0.800    6.28  ?     
206  32  N9     C4     C5     101.557  105.800  0.400  -10.61  ?     
207  33  C4     C5     C6     114.345  117.400  0.500   -6.11  ?     
208  33  C5     C4     N4     114.742  120.200  0.700   -7.80  ?     
209  33  C6     N1     C2     117.459  120.300  0.400   -7.10  ?     
210  33  N3     C2     O2     116.724  121.900  0.700   -7.39  ?     
211  33  "O4'"  "C4'"  "C3'"  111.266  106.000  0.600    8.78  ?     
212  34  C4     C5     C6     114.337  118.800  0.600   -7.44  ?     
213  34  C4     C5     N7     114.076  110.800  0.400    8.19  ?     
214  34  C5     C6     N1     114.325  111.500  0.500    5.65  ?     
215  34  C5     N7     C8      98.728  104.300  0.500  -11.14  ?     
216  34  N1     C6     O6     115.875  119.900  0.600   -6.71  ?     
217  34  N7     C8     N9     116.464  113.100  0.500    6.73  ?     
218  34  N9     C4     C5     103.323  105.400  0.400   -5.19  ?     
219  35  C2     N3     C4     123.810  127.200  0.600   -5.65  ?     
220  35  C5     C6     N1     119.585  123.700  0.600   -6.86  ?     
221  35  "O4'"  "C4'"  "C3'"  109.126  106.000  0.600    5.21  ?     
222  36  "C1'"  "O4'"  "C4'"  101.559  110.100  1.000   -8.54  ?     
223  36  C5     C6     N1     114.223  111.500  0.500    5.45  ?     
224  36  C5     N7     C8     100.765  104.300  0.500   -7.07  ?     
225  36  C6     N1     C2     121.757  125.100  0.600   -5.57  ?     
226  36  C8     N9     C4     101.338  106.400  0.400  -12.65  ?     
227  36  N1     C2     N2     107.962  116.200  0.900   -9.15  ?     
228  36  N3     C2     N2     125.361  119.900  0.700    7.80  ?     
229  36  N3     C4     C5     125.997  128.600  0.500   -5.21  ?     
230  36  N7     C8     N9     117.216  113.100  0.500    8.23  ?     
231  36  N9     C4     C5     109.152  105.400  0.400    9.38  ?     
232  37  C4     C5     C6     112.588  117.400  0.500   -9.62  ?     
233  37  C5     C6     N1     124.685  121.000  0.500    7.37  ?     
234  37  N1     C2     O2     125.439  118.900  0.600   10.90  ?     
235  37  N3     C2     O2     116.604  121.900  0.700   -7.57  ?     
236  38  C2     N3     C4     114.938  110.600  0.500    8.68  ?     
237  38  C4     C5     C6     113.022  117.000  0.500   -7.96  ?     
238  38  C4     C5     N7     107.913  110.700  0.500   -5.57  ?     
239  38  C5     C6     N1     121.725  117.700  0.500    8.05  ?     
240  38  C6     C5     N7     138.785  132.300  0.700    9.26  ?     
241  38  C8     N9     C4     112.165  105.800  0.400   15.91  ?     
242  38  N1     C2     N3     124.603  129.300  0.500   -9.39  ?     
243  38  N1     C6     N6     111.257  118.600  0.600  -12.24  ?     
244  38  N7     C8     N9     106.603  113.800  0.500  -14.39  ?     
245  39  C2     N3     C4     115.166  119.900  0.500   -9.47  ?     
246  39  C5     C4     N4     114.327  120.200  0.700   -8.39  ?     
247  39  N3     C4     C5     126.525  121.900  0.400   11.56  ?     
248  40  C4     C5     C6     111.798  118.800  0.600  -11.67  ?     
249  40  C4     C5     N7     114.615  110.800  0.400    9.54  ?     
250  40  C5     C6     N1     116.924  111.500  0.500   10.85  ?     
251  40  C5     N7     C8      99.243  104.300  0.500  -10.11  ?     
252  40  N1     C6     O6     115.683  119.900  0.600   -7.03  ?     
253  40  N7     C8     N9     115.841  113.100  0.500    5.48  ?     
254  40  N9     C4     C5     102.179  105.400  0.400   -8.05  ?     
255  40  "O4'"  "C4'"  "C3'"  113.583  106.000  0.600   12.64  ?     
256  41  P      "O3'"  "C3'"  127.872  119.700  1.200    6.81  Y     
257  41  C5     C6     N1     119.280  123.700  0.600   -7.37  ?     
258  41  C6     C5     C7     118.608  122.900  0.600   -7.15  ?     
259  41  N1     C2     N3     120.124  114.600  0.600    9.21  ?     
260  41  N3     C2     O2     116.518  122.300  0.600   -9.64  ?     
261  41  "O4'"  "C1'"  N1     112.719  108.000  0.700    6.74  ?     
262  41  "O4'"  "C4'"  "C3'"  110.852  106.000  0.600    8.09  ?     
263  42  C2     N3     C4     108.180  111.900  0.500   -7.44  ?     
264  42  C4     C5     N7     114.007  110.800  0.400    8.02  ?     
265  42  C5     N7     C8     101.091  104.300  0.500   -6.42  ?     
266  42  C6     C5     N7     126.507  130.400  0.600   -6.49  ?     
267  42  C6     N1     C2     121.723  125.100  0.600   -5.63  ?     
268  42  N1     C2     N3     129.328  123.900  0.600    9.05  ?     
269  42  "O4'"  "C1'"  N9     113.599  108.000  0.700    8.00  ?     
270  43  P      "O3'"  "C3'"  125.949  119.700  1.200    5.21  Y     
271  43  C2     N1     "C1'"  125.320  118.800  1.100    5.93  ?     
272  43  C5     C6     N1     124.445  121.000  0.500    6.89  ?     
273  43  C6     N1     C2     114.341  120.300  0.400  -14.90  ?     
274  43  N1     C2     N3     123.148  119.200  0.700    5.64  ?     
275  43  N3     C2     O2     117.245  121.900  0.700   -6.65  ?     
276  43  "O4'"  "C1'"  N1     113.557  108.000  0.700    7.94  ?     
277  44  "C3'"  "C2'"  "C1'"  108.770  102.500  1.200    5.22  ?     
278  44  C4     C5     C6     112.754  117.000  0.500   -8.49  ?     
279  44  C4     C5     N7     113.698  110.700  0.500    6.00  ?     
280  44  C5     C6     N1     122.343  117.700  0.500    9.29  ?     
281  44  C5     C6     N6     128.076  123.700  0.800    5.47  ?     
282  44  C6     N1     C2     114.139  118.600  0.600   -7.43  ?     
283  44  N1     C2     N3     132.531  129.300  0.500    6.46  ?     
284  44  N1     C6     N6     109.546  118.600  0.600  -15.09  ?     
285  44  N9     C4     C5     103.211  105.800  0.400   -6.47  ?     
286  44  "O4'"  "C4'"  "C3'"  110.006  106.000  0.600    6.68  ?     
287  45  "C1'"  "O4'"  "C4'"  100.773  110.100  1.000   -9.33  ?     
288  45  C5     C6     N1     117.954  121.000  0.500   -6.09  ?     
289  45  "O4'"  "C1'"  "C2'"  110.507  105.900  0.800    5.76  ?     
290  45  "O4'"  "C4'"  "C3'"  112.139  106.000  0.600   10.23  ?     
291  46  C2     N3     C4     114.425  111.900  0.500    5.05  ?     
292  46  C5     N7     C8      99.885  104.300  0.500   -8.83  ?     
293  46  N3     C2     N2     116.328  119.900  0.700   -5.10  ?     
294  47  C5     C4     O4     129.165  124.900  0.700    6.09  ?     
295  47  "C5'"  "C4'"  "O4'"  120.103  109.300  1.900    5.69  ?     
296  47  C6     C5     C7     119.585  122.900  0.600   -5.53  ?     
297  47  C6     N1     C2     118.697  121.300  0.500   -5.21  ?     
298  47  N1     C2     N3     118.385  114.600  0.600    6.31  ?     
299  47  N3     C2     O2     115.255  122.300  0.600  -11.74  ?     
300  47  N3     C4     C5     112.148  115.200  0.600   -5.09  ?     
301  47  "O4'"  "C1'"  "C2'"  100.885  105.900  0.800   -6.27  ?     
302  48  "C1'"  "O4'"  "C4'"  102.086  110.100  1.000   -8.01  ?     
303  48  C2     N3     C4     114.623  111.900  0.500    5.45  ?     
304  48  "C4'"  "C3'"  "C2'"   96.593  103.100  0.900   -7.23  ?     
305  48  C4     C5     N7     108.102  110.800  0.400   -6.75  ?     
306  48  C5     C6     N1     116.030  111.500  0.500    9.06  ?     
307  48  C6     C5     N7     135.092  130.400  0.600    7.82  ?     
308  48  N1     C6     O6     115.862  119.900  0.600   -6.73  ?     
309  48  N3     C4     C5     125.791  128.600  0.500   -5.62  ?     
310  48  N7     C8     N9     115.611  113.100  0.500    5.02  ?     
311  48  "O4'"  "C1'"  "C2'"   98.877  105.900  0.800   -8.78  ?     
312  49  C2     N1     "C1'"  124.546  118.800  1.100    5.22  ?     
313  49  C2     N3     C4     115.736  119.900  0.500   -8.33  ?     
314  49  "C3'"  "C2'"  "C1'"   95.364  102.500  1.200   -5.95  ?     
315  49  C5     C4     N4     126.509  120.200  0.700    9.01  ?     
316  49  C6     N1     C2     117.499  120.300  0.400   -7.00  ?     
317  49  N1     C2     N3     124.653  119.200  0.700    7.79  ?     
318  49  N3     C2     O2     115.483  121.900  0.700   -9.17  ?     
319  49  N3     C4     N4     108.806  118.000  0.700  -13.13  ?     
320  50  C4     C5     C6     111.387  117.000  0.500  -11.23  ?     
321  50  C4     C5     N7     113.374  110.700  0.500    5.35  ?     
322  50  "C5'"  "C4'"  "O4'"  120.641  109.300  1.900    5.97  ?     
323  50  C5     C6     N6     130.130  123.700  0.800    8.04  ?     
324  50  C5     N7     C8      99.966  103.900  0.500   -7.87  ?     
325  50  N1     C2     N3     125.831  129.300  0.500   -6.94  ?     
326  50  N1     C6     N6     107.608  118.600  0.600  -18.32  ?     
327  50  N7     C8     N9     116.620  113.800  0.500    5.64  ?     
328  50  "O4'"  "C4'"  "C3'"  109.222  106.000  0.600    5.37  ?     
329  51  C4     C5     C6     120.931  117.400  0.500    7.06  ?     
330  51  C5     C6     N1     117.493  121.000  0.500   -7.01  ?     
331  51  N1     C2     O2     125.042  118.900  0.600   10.24  ?     
332  51  N3     C2     O2     113.104  121.900  0.700  -12.57  ?     
333  51  N3     C4     C5     119.121  121.900  0.400   -6.95  ?     
334  51  "O4'"  "C1'"  N1     111.865  108.000  0.700    5.52  ?     
335  51  "O4'"  "C4'"  "C3'"  112.546  106.000  0.600   10.91  ?     
336  52  C4     C5     C6     122.814  118.800  0.600    6.69  ?     
337  52  C4     C5     N7     106.846  110.800  0.400   -9.89  ?     
338  52  C5     C6     O6     135.270  128.600  0.600   11.12  ?     
339  52  N1     C2     N2     108.249  116.200  0.900   -8.83  ?     
340  52  N1     C6     O6     115.708  119.900  0.600   -6.99  ?     
341  52  N3     C2     N2     126.616  119.900  0.700    9.59  ?     
342  52  N3     C4     C5     124.030  128.600  0.500   -9.14  ?     
343  52  "O4'"  "C4'"  "C3'"  110.995  106.000  0.600    8.32  ?     
344  53  "C4'"  "C3'"  "C2'"   97.900  103.100  0.900   -5.78  ?     
345  53  C5     C4     O4     131.103  124.900  0.700    8.86  ?     
346  53  N3     C2     O2     118.985  122.300  0.600   -5.52  ?     
347  53  N3     C4     C5     111.056  115.200  0.600   -6.91  ?     
348  53  "O4'"  "C1'"  "C2'"  100.933  105.900  0.800   -6.21  ?     
349  53  "O4'"  "C4'"  "C3'"  112.308  106.000  0.600   10.51  ?     
350  54  C2     N3     C4     116.706  111.900  0.500    9.61  ?     
351  54  C4     C5     N7     113.806  110.800  0.400    7.51  ?     
352  54  C5     C6     N1     115.912  111.500  0.500    8.82  ?     
353  54  C5     N7     C8      98.669  104.300  0.500  -11.26  ?     
354  54  C8     N9     C4     101.900  106.400  0.400  -11.25  ?     
355  54  N1     C6     O6     116.414  119.900  0.600   -5.81  ?     
356  54  N3     C4     C5     122.824  128.600  0.500  -11.55  ?     
357  54  N3     C4     N9     131.232  126.000  0.600    8.72  ?     
358  54  N7     C8     N9     119.478  113.100  0.500   12.76  ?     
359  55  C5     C4     N4     126.073  120.200  0.700    8.39  ?     
360  55  N3     C4     N4     113.043  118.000  0.700   -7.08  ?     
361  56  C4     C5     C6     111.534  117.000  0.500  -10.93  ?     
362  56  C5     C6     N1     122.670  117.700  0.500    9.94  ?     
363  56  C8     N9     C4     110.553  105.800  0.400   11.88  ?     
364  56  N1     C6     N6     109.669  118.600  0.600  -14.88  ?     
365  56  N7     C8     N9     111.281  113.800  0.500   -5.04  ?     
366  56  N9     C4     C5     102.015  105.800  0.400   -9.46  ?     
367  56  "O4'"  "C4'"  "C3'"  110.017  106.000  0.600    6.70  ?     
368  57  C2     N3     C4     116.250  119.900  0.500   -7.30  ?     
369  57  C5     C6     N1     117.676  121.000  0.500   -6.65  ?     
370  57  N1     C2     O2     124.180  118.900  0.600    8.80  ?     
371  57  N3     C2     O2     114.744  121.900  0.700  -10.22  ?     
372  57  N3     C4     C5     124.824  121.900  0.400    7.31  ?     
373  57  "O4'"  "C4'"  "C3'"  109.041  106.000  0.600    5.07  ?     
374  58  C2     N3     C4     115.860  111.900  0.500    7.92  ?     
375  58  C4     C5     C6     112.790  118.800  0.600  -10.02  ?     
376  58  C5     C6     N1     114.796  111.500  0.500    6.59  ?     
377  58  C6     C5     N7     136.689  130.400  0.600   10.48  ?     
378  58  C8     N9     C4     102.905  106.400  0.400   -8.74  ?     
379  58  N1     C2     N3     120.179  123.900  0.600   -6.20  ?     
380  58  N1     C6     O6     113.615  119.900  0.600  -10.47  ?     
381  58  N3     C4     N9     122.577  126.000  0.600   -5.70  ?     
382  58  N9     C4     C5     107.740  105.400  0.400    5.85  ?     
383  59  C2     N3     C4     130.387  127.200  0.600    5.31  ?     
384  59  C5     C4     O4     130.788  124.900  0.700    8.41  ?     
385  59  C6     N1     C2     116.581  121.300  0.500   -9.44  ?     
386  59  N3     C2     O2     117.488  122.300  0.600   -8.02  ?     
387  59  N3     C4     O4     115.426  119.900  0.600   -7.46  ?     
388  60  C4     C5     N7     113.240  110.800  0.400    6.10  ?     
389  60  C5     C6     O6     131.894  128.600  0.600    5.49  ?     
390  60  C5     N7     C8     101.637  104.300  0.500   -5.33  ?     
391  60  C8     N9     C4     108.722  106.400  0.400    5.80  ?     
392  60  N1     C6     O6     114.836  119.900  0.600   -8.44  ?     
393  60  N9     C4     C5     102.852  105.400  0.400   -6.37  ?     
394  60  "O4'"  "C1'"  "C2'"  100.782  105.900  0.800   -6.40  ?     
395  60  "O4'"  "C1'"  N9     111.792  108.000  0.700    5.42  ?     
396  60  "O5'"  P      OP2    101.073  105.700  0.900   -5.14  ?     
397  61  C5     C6     N1     118.214  121.000  0.500   -5.57  ?     
398  61  N1     C2     O2     124.073  118.900  0.600    8.62  ?     
399  61  N3     C2     O2     114.294  121.900  0.700  -10.87  ?     
400  61  "O4'"  "C1'"  "C2'"  100.181  105.900  0.800   -7.15  ?     
401  62  C2     N3     C4     107.501  110.600  0.500   -6.20  ?     
402  62  C4     C5     C6     112.356  117.000  0.500   -9.29  ?     
403  62  C5     C6     N6     131.254  123.700  0.800    9.44  ?     
404  62  N1     C6     N6     108.332  118.600  0.600  -17.11  ?     
405  62  N3     C4     C5     130.940  126.800  0.700    5.91  ?     
406  62  N3     C4     N9     122.806  127.400  0.800   -5.74  ?     
407  62  "O4'"  "C1'"  "C2'"  110.984  105.900  0.800    6.36  ?     
408  63  C2     N3     C4     116.277  119.900  0.500   -7.25  ?     
409  63  C5     C4     N4     116.323  120.200  0.700   -5.54  ?     
410  63  C6     N1     C2     118.058  120.300  0.400   -5.60  ?     
411  63  N3     C2     O2     117.459  121.900  0.700   -6.34  ?     
412  63  "O4'"  "C4'"  "C3'"  110.919  106.000  0.600    8.20  ?     
413  64  C2     N3     C4     105.635  111.900  0.500  -12.53  ?     
414  64  C6     C5     N7     133.501  130.400  0.600    5.17  ?     
415  64  C8     N9     C4     108.793  106.400  0.400    5.98  ?     
416  64  N1     C2     N2     102.739  116.200  0.900  -14.96  ?     
417  64  N1     C2     N3     129.415  123.900  0.600    9.19  ?     
418  64  N3     C2     N2     127.594  119.900  0.700   10.99  ?     
419  64  N3     C4     C5     131.612  128.600  0.500    6.02  ?     
420  65  C2     N3     C4     123.999  127.200  0.600   -5.33  ?     
421  65  N1     C2     O2     127.554  123.100  0.800    5.57  ?     
422  65  N3     C2     O2     115.313  122.300  0.600  -11.64  ?     
423  66  C4     C5     C6     114.726  118.800  0.600   -6.79  ?     
424  66  C4     C5     N7     105.676  110.800  0.400  -12.81  ?     
425  66  C6     C5     N7     139.457  130.400  0.600   15.10  ?     
426  66  N3     C4     N9     122.878  126.000  0.600   -5.20  ?     
427  67  C2     N3     C4     116.879  119.900  0.500   -6.04  ?     
428  67  N3     C2     O2     117.058  121.900  0.700   -6.92  ?     
429  67  N3     C4     C5     124.108  121.900  0.400    5.52  ?     
430  67  "O4'"  "C1'"  N1     115.631  108.000  0.700   10.90  ?     
431  68  C4     C5     C6     110.992  117.000  0.500  -12.02  ?     
432  68  C4     C5     N7     113.220  110.700  0.500    5.04  ?     
433  68  C5     C6     N1     123.165  117.700  0.500   10.93  ?     
434  68  C5     N7     C8      99.228  103.900  0.500   -9.34  ?     
435  68  N1     C6     N6     113.716  118.600  0.600   -8.14  ?     
436  68  N7     C8     N9     117.281  113.800  0.500    6.96  ?     
437  68  "O4'"  "C4'"  "C3'"  109.666  106.000  0.600    6.11  ?     
438  69  P      "O3'"  "C3'"  125.818  119.700  1.200    5.10  Y     
439  69  C4     C5     C6     121.888  117.400  0.500    8.98  ?     
440  69  C5     C6     N1     116.144  121.000  0.500   -9.71  ?     
441  69  N1     C2     O2     123.256  118.900  0.600    7.26  ?     
442  69  N3     C2     O2     117.424  121.900  0.700   -6.39  ?     
443  70  C2     N3     C4     107.958  111.900  0.500   -7.88  ?     
444  70  C4     C5     N7     108.557  110.800  0.400   -5.61  ?     
445  70  C5     C6     N1     108.940  111.500  0.500   -5.12  ?     
446  70  N1     C2     N3     128.379  123.900  0.600    7.47  ?     
447  71  P      "O3'"  "C3'"  126.393  119.700  1.200    5.58  Y     
448  71  N1     C2     N3     111.574  114.600  0.600   -5.04  ?     
449  71  "O4'"  "C1'"  N1     115.474  108.000  0.700   10.68  ?     
450  72  C2     N3     C4     115.140  111.900  0.500    6.48  ?     
451  72  C4     C5     N7     108.069  110.800  0.400   -6.83  ?     
452  72  C5     C6     N1     114.180  111.500  0.500    5.36  ?     
453  72  N1     C2     N2     122.642  116.200  0.900    7.16  ?     
454  72  N1     C6     O6     115.162  119.900  0.600   -7.90  ?     
455  72  N3     C2     N2     112.953  119.900  0.700   -9.92  ?     
456  72  N3     C4     C5     122.981  128.600  0.500  -11.24  ?     
457  72  N3     C4     N9     129.110  126.000  0.600    5.18  ?     
458  72  N9     C4     C5     107.711  105.400  0.400    5.78  ?     
459  72  "O4'"  "C4'"  "C3'"  101.530  104.500  0.400   -7.43  ?     
460  73  N1     C2     O2     123.261  118.900  0.600    7.27  ?     
461  73  N3     C2     O2     116.506  121.900  0.700   -7.71  ?     
462  73  N3     C4     C5     123.978  121.900  0.400    5.20  ?     
463  73  "O4'"  "C1'"  N1     112.388  108.000  0.700    6.27  ?     
464  74  P      "O3'"  "C3'"  125.950  119.700  1.200    5.21  Y     
465  74  C4     C5     C6     113.199  117.000  0.500   -7.60  ?     
466  74  C5     C6     N1     121.961  117.700  0.500    8.52  ?     
467  74  C5     C6     N6     131.310  123.700  0.800    9.51  ?     
468  74  N1     C6     N6     106.089  118.600  0.600  -20.85  ?     
469  75  C2     N3     C4     117.149  119.900  0.500   -5.50  ?     
470  75  N1     C2     O2     122.421  118.900  0.600    5.87  ?     
471  75  N3     C2     O2     115.843  121.900  0.700   -8.65  ?     
472  75  "O4'"  "C1'"  N1     103.849  108.000  0.700   -5.93  ?     
473  76  C4     C5     C6     114.008  118.800  0.600   -7.99  ?     
474  76  C5     C6     N1     116.811  111.500  0.500   10.62  ?     
475  76  C5     N7     C8     100.835  104.300  0.500   -6.93  ?     
476  76  N1     C2     N2     108.811  116.200  0.900   -8.21  ?     
477  76  N1     C6     O6     115.944  119.900  0.600   -6.59  ?     
478  76  N3     C2     N2     125.673  119.900  0.700    8.25  ?     
479  76  N3     C4     N9     129.251  126.000  0.600    5.42  ?     
480  76  N7     C8     N9     118.400  113.100  0.500   10.60  ?     
481  76  "O4'"  "C4'"  "C3'"  110.215  106.000  0.600    7.02  ?     
482  77  C2     N3     C4     121.291  127.200  0.600   -9.85  ?     
483  77  C4     C5     C6     122.094  118.000  0.600    6.82  ?     
484  77  C5     C4     O4     130.348  124.900  0.700    7.78  ?     
485  77  N1     C2     N3     118.172  114.600  0.600    5.95  ?     
486  77  N1     C2     O2     127.374  123.100  0.800    5.34  ?     
487  77  N3     C2     O2     114.413  122.300  0.600  -13.14  ?     
488  77  N3     C4     O4     112.471  119.900  0.600  -12.38  ?     
489  77  "O4'"  "C4'"  "C3'"  110.087  106.000  0.600    6.81  ?     
490  78  C8     N9     C4     102.887  106.400  0.400   -8.78  ?     
491  78  N3     C4     C5     125.676  128.600  0.500   -5.85  ?     
492  79  C2     N3     C4     116.610  119.900  0.500   -6.58  ?     
493  79  "C4'"  "C3'"  "C2'"   96.965  103.100  0.900   -6.82  ?     
494  79  N3     C4     C5     126.184  121.900  0.400   10.71  ?     
495  79  N3     C4     N4     111.845  118.000  0.700   -8.79  ?     
496  79  "O4'"  "C1'"  N1     111.807  108.000  0.700    5.44  ?     
497  79  "O4'"  "C4'"  "C3'"  110.769  106.000  0.600    7.95  ?     
498  80  C4     C5     C6     112.769  117.000  0.500   -8.46  ?     
499  80  C5     C6     N1     120.962  117.700  0.500    6.52  ?     
500  80  C5     C6     N6     128.460  123.700  0.800    5.95  ?     
501  80  C5     N7     C8      99.270  103.900  0.500   -9.26  ?     
502  80  N1     C6     N6     110.560  118.600  0.600  -13.40  ?     
503  80  N7     C8     N9     116.537  113.800  0.500    5.47  ?     
504  80  "O4'"  "C1'"  N9     103.307  108.000  0.700   -6.70  ?     
505  80  "O4'"  "C4'"  "C3'"  109.117  106.000  0.600    5.20  ?     
506  81  N1     C2     O2     122.151  118.900  0.600    5.42  ?     
507  81  N3     C2     O2     116.136  121.900  0.700   -8.23  ?     
508  81  "O4'"  "C4'"  "C3'"  110.815  106.000  0.600    8.03  ?     
509  82  P      "O3'"  "C3'"  127.440  119.700  1.200    6.45  Y     
510  82  C2     N3     C4     115.225  111.900  0.500    6.65  ?     
511  82  N1     C6     O6     116.055  119.900  0.600   -6.41  ?     
512  82  N3     C4     C5     124.729  128.600  0.500   -7.74  ?     
513  82  "O4'"  "C1'"  "C2'"  112.257  105.900  0.800    7.95  ?     
514  82  "O4'"  "C1'"  N9     101.160  108.000  0.700   -9.77  ?     
515  83  C2     N3     C4     122.828  127.200  0.600   -7.29  ?     
516  83  C6     N1     C2     118.489  121.300  0.500   -5.62  ?     
517  83  N1     C2     N3     118.061  114.600  0.600    5.77  ?     
518  83  N3     C2     O2     115.688  122.300  0.600  -11.02  ?     
519  83  "O4'"  "C1'"  "C2'"  100.485  105.900  0.800   -6.77  ?     
520  84  C2     N3     C4     108.894  111.900  0.500   -6.01  ?     
521  84  C4     C5     C6     114.486  118.800  0.600   -7.19  ?     
522  84  C5     C6     N1     115.182  111.500  0.500    7.37  ?     
523  84  C8     N9     C4     104.321  106.400  0.400   -5.20  ?     
524  84  N3     C2     N2     114.785  119.900  0.700   -7.31  ?     
525  84  N3     C4     C5     131.348  128.600  0.500    5.50  ?     
526  84  N3     C4     N9     122.599  126.000  0.600   -5.67  ?     
527  84  "O4'"  "C1'"  N9     113.645  108.000  0.700    8.06  ?     
528  84  "O4'"  "C4'"  "C3'"   99.816  106.000  0.600  -10.31  ?     
529  85  "C1'"  "O4'"  "C4'"  103.289  110.100  1.000   -6.81  ?     
530  85  C2     N3     C4     115.330  119.900  0.500   -9.14  ?     
531  85  C4     C5     C6     114.893  117.400  0.500   -5.01  ?     
532  85  C6     N1     C2     116.885  120.300  0.400   -8.54  ?     
533  85  N1     "C1'"  "C2'"  102.946  112.600  1.900   -5.08  ?     
534  85  N1     C2     N3     124.677  119.200  0.700    7.82  ?     
535  85  N3     C2     O2     115.418  121.900  0.700   -9.26  ?     
536  85  N3     C4     C5     124.661  121.900  0.400    6.90  ?     
537  85  "O4'"  "C1'"  N1     115.655  108.000  0.700   10.94  ?     
538  85  "O4'"  "C4'"  "C3'"  109.981  106.000  0.600    6.63  ?     
539  86  C2     N3     C4     113.321  110.600  0.500    5.44  ?     
540  86  C4     C5     C6     111.367  117.000  0.500  -11.27  ?     
541  86  C4     C5     N7     115.179  110.700  0.500    8.96  ?     
542  86  C5     C6     N1     123.511  117.700  0.500   11.62  ?     
543  86  C5     N7     C8      98.088  103.900  0.500  -11.62  ?     
544  86  N1     C6     N6     110.391  118.600  0.600  -13.68  ?     
545  86  N7     C8     N9     117.721  113.800  0.500    7.84  ?     
546  87  C2     N3     C4     116.865  119.900  0.500   -6.07  ?     
547  87  "C4'"  "C3'"  "O3'"   96.814  109.700  2.500   -5.15  ?     
548  87  C4     C5     C6     121.462  117.400  0.500    8.12  ?     
549  87  C5     C6     N1     117.320  121.000  0.500   -7.36  ?     
550  87  N3     C2     O2     117.540  121.900  0.700   -6.23  ?     
551  87  "O4'"  "C1'"  N1     112.820  108.000  0.700    6.88  ?     
552  87  "O4'"  "C4'"  "C3'"  110.461  106.000  0.600    7.43  ?     
553  88  "C4'"  "C3'"  "C2'"  107.838  103.100  0.900    5.26  ?     
554  88  C4     C5     N7     108.455  110.800  0.400   -5.86  ?     
555  88  C5     C6     N1     116.524  111.500  0.500   10.05  ?     
556  88  C5     C6     O6     133.015  128.600  0.600    7.36  ?     
557  88  C6     N1     C2     120.662  125.100  0.600   -7.40  ?     
558  88  N1     C2     N2     108.393  116.200  0.900   -8.68  ?     
559  88  N1     C2     N3     127.619  123.900  0.600    6.20  ?     
560  88  N1     C6     O6     110.450  119.900  0.600  -15.75  ?     
561  88  N3     C4     C5     123.774  128.600  0.500   -9.65  ?     
562  88  N9     C4     C5     107.875  105.400  0.400    6.19  ?     
563  88  "O4'"  "C1'"  "C2'"  110.378  105.900  0.800    5.60  ?     
564  88  "O4'"  "C1'"  N9     102.211  108.000  0.700   -8.27  ?     
565  89  C4     C5     C6     124.259  118.000  0.600   10.43  ?     
566  89  C4     C5     C7     123.181  119.000  0.600    6.97  ?     
567  89  C5     C4     O4     133.339  124.900  0.700   12.06  ?     
568  89  C5     C6     N1     119.826  123.700  0.600   -6.46  ?     
569  89  C6     C5     C7     112.503  122.900  0.600  -17.33  ?     
570  89  C6     N1     C2     116.192  121.300  0.500  -10.22  ?     
571  89  N1     C2     N3     120.807  114.600  0.600   10.35  ?     
572  89  N1     C2     O2     117.622  123.100  0.800   -6.85  ?     
573  89  N3     C4     C5     111.566  115.200  0.600   -6.06  ?     
574  89  N3     C4     O4     114.714  119.900  0.600   -8.64  ?     
575  89  "O5'"  "C5'"  "C4'"  125.981  111.000  2.500    5.99  ?     
576  90  "C3'"  "C2'"  "C1'"  111.307  102.500  1.200    7.34  ?     
577  90  "C4'"  "C3'"  "C2'"   98.497  103.100  0.900   -5.11  ?     
578  90  C4     C5     N7     112.843  110.800  0.400    5.11  ?     
579  90  N7     C8     N9     110.314  113.100  0.500   -5.57  ?     
580  91  C2     N1     "C1'"  125.037  118.800  1.100    5.67  ?     
581  91  C2     N3     C4     115.748  119.900  0.500   -8.30  ?     
582  91  "C4'"  "C3'"  "C2'"   98.593  103.100  0.900   -5.01  ?     
583  91  C5     C4     N4     124.196  120.200  0.700    5.71  ?     
584  91  C5     C6     N1     118.242  121.000  0.500   -5.51  ?     
585  91  C6     N1     "C1'"  113.227  120.800  1.200   -6.31  ?     
586  91  N1     C2     N3     124.079  119.200  0.700    6.97  ?     
587  91  N3     C2     O2     114.947  121.900  0.700   -9.93  ?     
588  91  N3     C4     N4     113.268  118.000  0.700   -6.76  ?     
589  91  "O4'"  "C1'"  N1     118.946  108.000  0.700   15.64  ?     
590  91  "O4'"  "C4'"  "C3'"  109.769  106.000  0.600    6.28  ?     
591  92  "C3'"  "C2'"  "C1'"  109.322  102.500  1.200    5.68  ?     
592  92  "C4'"  "C3'"  "C2'"   95.386  103.100  0.900   -8.57  ?     
593  92  C4     C5     C6     112.356  117.000  0.500   -9.29  ?     
594  92  C4     C5     N7     114.149  110.700  0.500    6.90  ?     
595  92  C5     C6     N1     123.994  117.700  0.500   12.59  ?     
596  92  C5     N7     C8     100.118  103.900  0.500   -7.56  ?     
597  92  N1     C6     N6     112.286  118.600  0.600  -10.52  ?     
598  92  N9     C4     C5     102.229  105.800  0.400   -8.93  ?     
599  92  "O4'"  "C1'"  N9     104.473  108.000  0.700   -5.04  ?     
600  92  "O4'"  "C4'"  "C3'"  114.240  106.000  0.600   13.73  ?     
601  93  N1     C2     O2     123.239  118.900  0.600    7.23  ?     
602  93  N3     C2     O2     116.491  121.900  0.700   -7.73  ?     
603  93  "O4'"  "C1'"  N1     113.236  108.000  0.700    7.48  ?     
604  93  "O4'"  "C4'"  "C3'"  109.291  106.000  0.600    5.49  ?     
605  94  P      "O3'"  "C3'"  128.751  119.700  1.200    7.54  Y     
606  94  C4     C5     N7     107.823  110.800  0.400   -7.44  ?     
607  94  C6     N1     C2     121.695  125.100  0.600   -5.67  ?     
608  94  N1     C2     N3     128.316  123.900  0.600    7.36  ?     
609  94  N3     C4     C5     124.991  128.600  0.500   -7.22  ?     
610  94  N9     C4     C5     107.677  105.400  0.400    5.69  ?     
611  94  "O4'"  "C1'"  N9     103.508  108.000  0.700   -6.42  ?     
612  94  "O4'"  "C4'"  "C3'"  112.718  106.000  0.600   11.20  ?     
613  95  C4     C5     C6     122.026  118.000  0.600    6.71  ?     
614  95  C4     C5     C7     114.813  119.000  0.600   -6.98  ?     
615  95  C5     C6     N1     117.889  123.700  0.600   -9.69  ?     
616  96  C4     C5     N7     107.475  110.800  0.400   -8.31  ?     
617  96  C5     C6     O6     134.377  128.600  0.600    9.63  ?     
618  96  N1     C6     O6     113.663  119.900  0.600  -10.40  ?     
619  96  N3     C4     C5     125.522  128.600  0.500   -6.16  ?     
620  96  N9     C4     C5     108.440  105.400  0.400    7.60  ?     
621  96  "O4'"  "C1'"  N9     113.788  108.000  0.700    8.27  ?     
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           3
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        starch_output
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    0
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           126
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           126
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            126
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00  0.00  0  
2  CA  0.50  0.00  0.00  0  
3  CB  0.50  0.00  0.00  0  
4  N   0.50  0.00  0.00  0  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1  120  120  240  overall  Total  
 2   82   62  144  sugar    Total  
 3   38   58   96  base     Total  
 4  120   24  144  overall  H      
 5   82    2   84  sugar    H      
 6   38   22   60  base     H      
 7    0   80   80  overall  C      
 8    0   60   60  sugar    C      
 9    0   20   20  base     C      
10    0   16   16  overall  N      
11    0   16   16  base     N      
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1  120  120  240  overall  Total  
 2   82   62  144  sugar    Total  
 3   38   58   96  base     Total  
 4  120   24  144  overall  H      
 5   82    2   84  sugar    H      
 6   38   22   60  base     H      
 7    0   80   80  overall  C      
 8    0   60   60  sugar    C      
 9    0   20   20  base     C      
10    0   16   16  overall  N      
11    0   16   16  base     N      
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     171  
 2  "Intra-residue (|i-j|=0)"                       102  
 3  "Sequential (|i-j|=1)"                           36  
 4  "Medium range (|i-j|>1 and |i-j|<5)"              2  
 5  "Long range (|i-j|>=5)"                           0  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                 31  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                 0  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             14.2  
12  "Number of long range restraints per residue"   0.0  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                 102   59.6  10  5.8    9.8  50  29.2   49.0  
 2  Intra-residue  BackboneBackbone     40   23.4   1  0.6    2.5  16   9.4   40.0  
 3  Intra-residue  BackboneSidechain    40   23.4   5  2.9   12.5  26  15.2   65.0  
 4  Intra-residue  SidechainSidechain   22   12.9   4  2.3   18.2   8   4.7   36.4  
 5  Sequential     all                  36   21.1   0  0.0    0.0  18  10.5   50.0  
 6  Sequential     BackboneBackbone      0    0.0   0  0.0    0.0   0   0.0    0.0  
 7  Sequential     BackboneSidechain    30   17.5   0  0.0    0.0  17   9.9   56.7  
 8  Sequential     SidechainSidechain    6    3.5   0  0.0    0.0   1   0.6   16.7  
 9  MediumRange    all                   2    1.2   2  1.2  100.0   2   1.2  100.0  
10  MediumRange    BackboneBackbone      0    0.0   0  0.0    0.0   0   0.0    0.0  
11  MediumRange    BackboneSidechain     0    0.0   0  0.0    0.0   0   0.0    0.0  
12  MediumRange    SidechainSidechain    2    1.2   2  1.2  100.0   2   1.2  100.0  
13  LongRange      all                   0    0.0   0  0.0    0.0   0   0.0    0.0  
14  LongRange      BackboneBackbone      0    0.0   0  0.0    0.0   0   0.0    0.0  
15  LongRange      BackboneSidechain     0    0.0   0  0.0    0.0   0   0.0    0.0  
16  LongRange      SidechainSidechain    0    0.0   0  0.0    0.0   0   0.0    0.0  
17  InterChain     all                   0    0.0   0  0.0    0.0   0   0.0    0.0  
18  InterChain     BackboneBackbone      0    0.0   0  0.0    0.0   0   0.0    0.0  
19  InterChain     BackboneSidechain     0    0.0   0  0.0    0.0   0   0.0    0.0  
20  InterChain     SidechainSidechain    0    0.0   0  0.0    0.0   0   0.0    0.0  
21  HydrogenBond   all                  31   18.1   0  0.0    0.0  12   7.0   38.7  
22  DisulfideBond  all                   0    0.0   0  0.0    0.0   0   0.0    0.0  
23  Total          all                 171  100.0  12  7.0    7.0  70  40.9   40.9  
24  Total          BackboneBackbone     40   23.4   1  0.6    2.5  16   9.4   40.0  
25  Total          BackboneSidechain    70   40.9   5  2.9    7.1  43  25.1   61.4  
26  Total          SidechainSidechain   30   17.5   6  3.5   20.0  11   6.4   36.7  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
1  1  3.13  0.32  0.18  0.54  
2  2  3.09  0.35  0.24  0.61  
3  3  3.01  0.33  0.18  0.58  
4  4  3.37  0.45  0.22  0.71  
5  5  3.16  0.39  0.19  0.64  
6  6  3.13  0.40  0.21  0.62  
7  7  2.96  0.36  0.17  0.59  
8  8  3.04  0.42  0.20  0.64  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
 1  1  intraresidue  32  
 2  1  sequential     8  
 3  1  medium         2  
 4  1  long           0  
 5  1  interchain     4  
 6  1  total         46  
 7  2  intraresidue  26  
 8  2  sequential    10  
 9  2  medium         2  
10  2  long           0  
11  2  interchain     1  
12  2  total         39  
13  3  intraresidue  25  
14  3  sequential     6  
15  3  medium         2  
16  3  long           0  
17  3  interchain     4  
18  3  total         37  
19  4  intraresidue  25  
20  4  sequential     5  
21  4  medium         2  
22  4  long           0  
23  4  interchain     4  
24  4  total         36  
25  5  intraresidue  22  
26  5  sequential     9  
27  5  medium         2  
28  5  long           0  
29  5  interchain     9  
30  5  total         42  
31  6  intraresidue  24  
32  6  sequential     7  
33  6  medium         2  
34  6  long           0  
35  6  interchain     5  
36  6  total         38  
37  7  intraresidue  28  
38  7  sequential    10  
39  7  medium         2  
40  7  long           0  
41  7  interchain     6  
42  7  total         46  
43  8  intraresidue  24  
44  8  sequential     6  
45  8  medium         2  
46  8  long           0  
47  8  interchain     4  
48  8  total         36  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
1  1   12.5  
2  2   25.0  
3  3   37.5  
4  4   50.0  
5  5   62.5  
6  6   75.0  
7  7   87.5  
8  8  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
 1  1  intraresidue  10  
 2  1  sequential     7  
 3  1  medium         0  
 4  1  long           0  
 5  1  interchain     0  
 6  1  total         17  
 7  2  intraresidue  10  
 8  2  sequential     2  
 9  2  medium         0  
10  2  long           0  
11  2  interchain     0  
12  2  total         12  
13  3  intraresidue   5  
14  3  sequential     0  
15  3  medium         0  
16  3  long           0  
17  3  interchain     0  
18  3  total          5  
19  4  intraresidue   3  
20  4  sequential     2  
21  4  medium         0  
22  4  long           0  
23  4  interchain     0  
24  4  total          5  
25  5  intraresidue   5  
26  5  sequential     2  
27  5  medium         0  
28  5  long           0  
29  5  interchain     0  
30  5  total          7  
31  6  intraresidue   5  
32  6  sequential     3  
33  6  medium         0  
34  6  long           0  
35  6  interchain     0  
36  6  total          8  
37  7  intraresidue   2  
38  7  sequential     2  
39  7  medium         0  
40  7  long           0  
41  7  interchain     0  
42  7  total          4  
43  8  intraresidue  10  
44  8  sequential     0  
45  8  medium         2  
46  8  long           0  
47  8  interchain     0  
48  8  total         12  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.2  19.8  
2  0.2-0.5  0.5  15.4  
3  >0.5     3.4   3.4  
#
loop_
_pdbx_vrpt_most_violated_distance_restraints.ordinal
_pdbx_vrpt_most_violated_distance_restraints.rest_id
_pdbx_vrpt_most_violated_distance_restraints.rlist_id
_pdbx_vrpt_most_violated_distance_restraints.altcode_1
_pdbx_vrpt_most_violated_distance_restraints.chain_1
_pdbx_vrpt_most_violated_distance_restraints.resnum_1
_pdbx_vrpt_most_violated_distance_restraints.resname_1
_pdbx_vrpt_most_violated_distance_restraints.icode_1
_pdbx_vrpt_most_violated_distance_restraints.ent_1
_pdbx_vrpt_most_violated_distance_restraints.said_1
_pdbx_vrpt_most_violated_distance_restraints.seq_1
_pdbx_vrpt_most_violated_distance_restraints.atom_1
_pdbx_vrpt_most_violated_distance_restraints.chain_2
_pdbx_vrpt_most_violated_distance_restraints.altcode_2
_pdbx_vrpt_most_violated_distance_restraints.resnum_2
_pdbx_vrpt_most_violated_distance_restraints.resname_2
_pdbx_vrpt_most_violated_distance_restraints.seq_2
_pdbx_vrpt_most_violated_distance_restraints.said_2
_pdbx_vrpt_most_violated_distance_restraints.ent_2
_pdbx_vrpt_most_violated_distance_restraints.icode_2
_pdbx_vrpt_most_violated_distance_restraints.atom_2
_pdbx_vrpt_most_violated_distance_restraints.violated_models
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation
_pdbx_vrpt_most_violated_distance_restraints.median_violation
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation
 1   93  1  .  B   8  DA  ?     1  B  2  H2      B  .  11  DT  5  B  1  ?     H3     8  3.11  3.11  0.12  
 2   23  1  .  A   2  DA  ?     1  A  2  H2      A  .   5  DT  5  A  1  ?     H3     8  2.52  2.49  0.17  
 3  129  1  .  B  11  DT  ?     1  B  5  "H4'"   B  .  11  DT  5  B  1  ?     H6     8  0.32  0.29  0.08  
 4   59  1  .  A   5  DT  ?     1  A  5  "H4'"   A  .   5  DT  5  A  1  ?     H6     8  0.29  0.31  0.06  
 5  105  1  .  B   9  DC  ?     1  B  3  H42     B  .   9  DC  3  B  1  ?     H41    8  0.29  0.29  0.04  
 6   35  1  .  A   3  DC  ?     1  A  3  H42     A  .   3  DC  3  A  1  ?     H41    8  0.28  0.29  0.03  
 7   67  1  .  A   6  DG  ?     1  A  6  "H2'"   A  .   6  DG  6  A  1  ?     "H1'"  8  0.27  0.29  0.06  
 8   14  1  .  A   2  DA  ?     1  A  2  "H1'"   A  .   2  DA  2  A  1  ?     H8     8  0.27  0.26  0.06  
 9   80  1  .  B   7  DC  ?     1  B  1  H41     B  .   7  DC  1  B  1  ?     H5     8  0.26  0.29  0.08  
10   84  1  .  B   8  DA  ?     1  B  2  "H1'"   B  .   8  DA  2  B  1  ?     H8     8  0.21  0.22  0.04  
11   56  1  .  A   5  DT  ?     1  A  5  "H2''"  A  .   5  DT  5  A  1  ?     H6     8  0.19  0.17  0.06  
12   21  1  .  A   2  DA  ?     1  A  2  H2      A  .   2  DA  2  A  1  ?     H61    8  0.18  0.15  0.08  
13   83  1  .  B   7  DC  ?     1  B  1  "H2''"  B  .   8  DA  2  B  1  ?     H8     7  0.31  0.29  0.08  
14   13  1  .  A   1  DC  ?     1  A  1  "H2''"  A  .   2  DA  2  A  1  ?     H8     7  0.28  0.28  0.07  
15  137  1  .  B  12  DG  ?     1  B  6  "H2'"   B  .  12  DG  6  B  1  ?     "H1'"  7  0.26  0.26  0.03  
16   10  1  .  A   1  DC  ?     1  A  1  H41     A  .   1  DC  1  A  1  ?     H5     7  0.24  0.24  0.06  
17    4  2  .  A   1  DC  ?     1  A  1  O2      B  .  12  DG  6  B  1  ?     H21    6  1.30  1.48  0.55  
18  100  1  .  B   9  DC  ?     1  B  3  "H3'"   B  .   9  DC  3  B  1  ?     H6     6  0.28  0.31  0.09  
19   51  1  .  A   4  DG  ?     1  A  4  "H2'"   A  .   5  DT  5  A  1  ?     H6     6  0.24  0.23  0.06  
20   25  1  .  A   2  DA  ?     1  A  2  "H2'"   A  .   3  DC  3  A  1  ?     H6     6  0.21  0.21  0.07  
21   91  1  .  B   8  DA  ?     1  B  2  H2      B  .   8  DA  2  B  1  ?     H61    6  0.20  0.20  0.08  
22   60  1  .  A   5  DT  ?     1  A  5  "H4'"   A  .   5  DT  5  A  1  ?     "H1'"  6  0.20  0.20  0.05  
23   82  1  .  B   7  DC  ?     1  B  1  "H2'"   B  .   8  DA  2  B  1  ?     H8     6  0.18  0.17  0.05  
24  126  1  .  B  11  DT  ?     1  B  5  "H2''"  B  .  11  DT  5  B  1  ?     H6     6  0.17  0.15  0.08  
25    6  2  .  A   2  DA  ?     1  A  2  N1      B  .  11  DT  5  B  1  ?     H3     6  0.13  0.13  0.02  
26    9  2  .  A   2  DA  ?     1  A  2  N1      B  .  11  DT  5  B  1  ?     H3     6  0.13  0.13  0.02  
27  113  1  .  B  10  DG  ?     1  B  4  "H2'"   B  .  10  DG  4  B  1  ?     "H1'"  6  0.12  0.11  0.02  
28   15  2  .  A   3  DC  ?     1  A  3  O2      B  .  10  DG  4  B  1  ?     H21    5  1.51  1.48  0.10  
29  121  1  .  B  10  DG  ?     1  B  4  "H2'"   B  .  11  DT  5  B  1  ?     H6     5  0.20  0.14  0.12  
30   27  1  .  A   3  DC  ?     1  A  3  "H1'"   A  .   3  DC  3  A  1  ?     H6     5  0.17  0.16  0.05  
31  130  1  .  B  11  DT  ?     1  B  5  "H4'"   B  .  11  DT  5  B  1  ?     "H1'"  5  0.16  0.16  0.04  
32   41  1  .  A   4  DG  ?     1  A  4  "H1'"   A  .   4  DG  4  A  1  ?     H8     5  0.16  0.18  0.04  
33   47  1  .  A   4  DG  ?     1  A  4  "H4'"   A  .   4  DG  4  A  1  ?     H8     5  0.15  0.16  0.04  
34   72  1  .  B   7  DC  ?     1  B  1  "H1'"   B  .   7  DC  1  B  1  ?     H6     5  0.15  0.15  0.02  
35   39  1  .  A   3  DC  ?     1  A  3  H42     A  .   4  DG  4  A  1  ?     H1     5  0.14  0.12  0.03  
36   76  1  .  B   7  DC  ?     1  B  1  "H2''"  B  .   7  DC  1  B  1  ?     H6     4  0.17  0.15  0.06  
37   95  1  .  B   8  DA  ?     1  B  2  "H2'"   B  .   9  DC  3  B  1  ?     H6     4  0.16  0.15  0.05  
38   12  1  .  A   1  DC  ?     1  A  1  "H2'"   A  .   2  DA  2  A  1  ?     H8     4  0.14  0.14  0.03  
39   88  1  .  B   8  DA  ?     1  B  2  "H3'"   B  .   8  DA  2  B  1  ?     "H1'"  4  0.14  0.13  0.03  
40   85  1  .  B   8  DA  ?     1  B  2  "H2'"   B  .   8  DA  2  B  1  ?     "H1'"  4  0.12  0.11  0.02  
41   69  1  .  A   6  DG  ?     1  A  6  "H3'"   A  .   6  DG  6  A  1  ?     H8     3  0.35  0.37  0.06  
42  139  1  .  B  12  DG  ?     1  B  6  "H3'"   B  .  12  DG  6  B  1  ?     H8     3  0.22  0.21  0.09  
43   18  1  .  A   2  DA  ?     1  A  2  "H3'"   A  .   2  DA  2  A  1  ?     "H1'"  3  0.16  0.15  0.02  
44   17  1  .  A   2  DA  ?     1  A  2  "H3'"   A  .   2  DA  2  A  1  ?     H8     3  0.14  0.14  0.00  
45   21  2  .  A   5  DT  ?     1  A  5  H3      B  .   8  DA  2  B  1  ?     N1     3  0.13  0.12  0.03  
46   24  2  .  A   5  DT  ?     1  A  5  H3      B  .   8  DA  2  B  1  ?     N1     3  0.13  0.12  0.03  
47    6  1  .  A   1  DC  ?     1  A  1  "H2''"  A  .   1  DC  1  A  1  ?     H6     3  0.11  0.11  0.00  
48   28  2  .  A   6  DG  ?     1  A  6  H21     B  .   7  DC  1  B  1  ?     O2     2  0.32  0.32  0.21  
49  136  1  .  B  12  DG  ?     1  B  6  "H2'"   B  .  12  DG  6  B  1  ?     H8     2  0.28  0.28  0.02  
50   94  1  .  B   8  DA  ?     1  B  2  "H1'"   B  .   9  DC  3  B  1  ?     H6     2  0.27  0.27  0.05  
51   90  1  .  B   8  DA  ?     1  B  2  "H4'"   B  .   8  DA  2  B  1  ?     "H1'"  2  0.18  0.18  0.01  
52   87  1  .  B   8  DA  ?     1  B  2  "H3'"   B  .   8  DA  2  B  1  ?     H8     2  0.18  0.18  0.02  
53  101  1  .  B   9  DC  ?     1  B  3  "H4'"   B  .   9  DC  3  B  1  ?     "H1'"  2  0.17  0.17  0.03  
54  106  1  .  B   9  DC  ?     1  B  3  "H1'"   B  .  10  DG  4  B  1  ?     H8     2  0.17  0.17  0.06  
55   30  2  .  A   6  DG  ?     1  A  6  O6      B  .   7  DC  1  B  1  ?     H42    2  0.16  0.16  0.03  
56  118  1  .  B  10  DG  ?     1  B  4  "H4'"   B  .  10  DG  4  B  1  ?     "H1'"  2  0.15  0.15  0.02  
57   15  1  .  A   2  DA  ?     1  A  2  "H2'"   A  .   2  DA  2  A  1  ?     "H1'"  2  0.15  0.15  0.03  
58   78  1  .  B   7  DC  ?     1  B  1  "H4'"   B  .   7  DC  1  B  1  ?     "H1'"  2  0.15  0.15  0.03  
59    2  1  .  A   1  DC  ?     1  A  1  "H1'"   A  .   1  DC  1  A  1  ?     H6     2  0.12  0.12  0.01  
60  111  1  .  B  10  DG  ?     1  B  4  "H1'"   B  .  10  DG  4  B  1  ?     H8     2  0.12  0.12  0.00  
61   20  1  .  A   2  DA  ?     1  A  2  "H4'"   A  .   2  DA  2  A  1  ?     "H1'"  2  0.11  0.11  0.00  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
  1   93  1  44  47  H2      H3     3.37  
  2   93  1  56  59  H2      H3     3.16  
  3   93  1   8  11  H2      H3     3.13  
  4   93  1  68  71  H2      H3     3.13  
  5   93  1  20  23  H2      H3     3.09  
  6   93  1  92  95  H2      H3     3.04  
  7   93  1  32  35  H2      H3     3.01  
  8   93  1  80  83  H2      H3     2.96  
  9   23  1  14  17  H2      H3     2.77  
 10   23  1  38  41  H2      H3     2.74  
 11   23  1  50  53  H2      H3     2.66  
 12   23  1  74  77  H2      H3     2.49  
 13   23  1   2   5  H2      H3     2.48  
 14   23  1  26  29  H2      H3     2.38  
 15   23  1  62  65  H2      H3     2.32  
 16   23  1  86  89  H2      H3     2.32  
 17    4  2  73  84  O2      H21    1.77  
 18   15  2  39  46  O2      H21    1.67  
 19    4  2  85  96  O2      H21    1.59  
 20    4  2  49  60  O2      H21    1.58  
 21   15  2  87  94  O2      H21    1.57  
 22   15  2  51  58  O2      H21    1.48  
 23   15  2  75  82  O2      H21    1.45  
 24    4  2  37  48  O2      H21    1.39  
 25   15  2  63  70  O2      H21    1.38  
 26    4  2  61  72  O2      H21    1.37  
 27   28  2  90  91  H21     O2     0.53  
 28  129  1  83  83  "H4'"   H6     0.46  
 29   83  1  67  68  "H2''"  H8     0.46  
 30  129  1  11  11  "H4'"   H6     0.44  
 31  121  1  94  95  "H2'"   H6     0.44  
 32   69  1  42  42  "H3'"   H8     0.42  
 33  100  1  33  33  "H3'"   H6     0.41  
 34   14  1  74  74  "H1'"   H8     0.41  
 35   80  1  19  19  H41     H5     0.40  
 36   83  1  43  44  "H2''"  H8     0.38  
 37   59  1  41  41  "H4'"   H6     0.38  
 38   69  1   6   6  "H3'"   H8     0.37  
 39   67  1   6   6  "H2'"   "H1'"  0.37  
 40   13  1  25  26  "H2''"  H8     0.36  
 41  126  1  59  59  "H2''"  H6     0.34  
 42   21  1  14  14  H2      H61    0.34  
 43  139  1  24  24  "H3'"   H8     0.33  
 44  137  1  48  48  "H2'"   "H1'"  0.33  
 45  105  1   9   9  H42     H41    0.33  
 46  105  1  69  69  H42     H41    0.33  
 47  100  1   9   9  "H3'"   H6     0.33  
 48   59  1  17  17  "H4'"   H6     0.33  
 49   59  1  53  53  "H4'"   H6     0.33  
 50   59  1  77  77  "H4'"   H6     0.33  
 51   56  1  29  29  "H2''"  H6     0.33  
 52   51  1  76  77  "H2'"   H6     0.33  
 53   13  1   1   2  "H2''"  H8     0.33  
 54  105  1  45  45  H42     H41    0.32  
 55   94  1  20  21  "H1'"   H6     0.32  
 56   91  1   8   8  H2      H61    0.32  
 57   80  1  67  67  H41     H5     0.32  
 58   67  1  78  78  "H2'"   "H1'"  0.32  
 59   35  1   3   3  H42     H41    0.32  
 60   35  1  39  39  H42     H41    0.32  
 61   10  1  37  37  H41     H5     0.32  
 62   10  1  61  61  H41     H5     0.32  
 63  100  1  81  81  "H3'"   H6     0.31  
 64  100  1  93  93  "H3'"   H6     0.31  
 65   51  1   4   5  "H2'"   H6     0.31  
 66   35  1  75  75  H42     H41    0.31  
 67   25  1  38  39  "H2'"   H6     0.31  
 68   13  1  13  14  "H2''"  H8     0.31  
 69  136  1  48  48  "H2'"   H8     0.30  
 70  129  1  23  23  "H4'"   H6     0.30  
 71  129  1  59  59  "H4'"   H6     0.30  
 72  105  1  57  57  H42     H41    0.30  
 73   83  1  91  92  "H2''"  H8     0.30  
 74   80  1  79  79  H41     H5     0.30  
 75   67  1  18  18  "H2'"   "H1'"  0.30  
 76   35  1  63  63  H42     H41    0.30  
 77   83  1  79  80  "H2''"  H8     0.29  
 78   82  1  19  20  "H2'"   H8     0.29  
 79   80  1   7   7  H41     H5     0.29  
 80   67  1  42  42  "H2'"   "H1'"  0.29  
 81   59  1  29  29  "H4'"   H6     0.29  
 82   25  1  86  87  "H2'"   H6     0.29  
 83   14  1  38  38  "H1'"   H8     0.29  
 84  129  1  47  47  "H4'"   H6     0.28  
 85  105  1  21  21  H42     H41    0.28  
 86   80  1  55  55  H41     H5     0.28  
 87   67  1  66  66  "H2'"   "H1'"  0.28  
 88   21  1  38  38  H2      H61    0.28  
 89   13  1  61  62  "H2''"  H8     0.28  
 90   13  1  85  86  "H2''"  H8     0.28  
 91  137  1  24  24  "H2'"   "H1'"  0.27  
 92  137  1  36  36  "H2'"   "H1'"  0.27  
 93  129  1  71  71  "H4'"   H6     0.27  
 94  105  1  93  93  H42     H41    0.27  
 95   91  1  68  68  H2      H61    0.27  
 96   76  1  79  79  "H2''"  H6     0.27  
 97   69  1  54  54  "H3'"   H8     0.27  
 98   67  1  30  30  "H2'"   "H1'"  0.27  
 99   35  1  15  15  H42     H41    0.27  
100   35  1  27  27  H42     H41    0.27  
101   14  1  26  26  "H1'"   H8     0.27  
102   10  1  85  85  H41     H5     0.27  
103  137  1  12  12  "H2'"   "H1'"  0.26  
104  129  1  35  35  "H4'"   H6     0.26  
105   84  1   8   8  "H1'"   H8     0.26  
106   60  1  89  89  "H4'"   "H1'"  0.26  
107   27  1  63  63  "H1'"   H6     0.26  
108   14  1   2   2  "H1'"   H8     0.26  
109   13  1  49  50  "H2''"  H8     0.26  
110  137  1  60  60  "H2'"   "H1'"  0.25  
111  136  1  60  60  "H2'"   H8     0.25  
112  129  1  95  95  "H4'"   H6     0.25  
113  105  1  33  33  H42     H41    0.25  
114   83  1   7   8  "H2''"  H8     0.25  
115   60  1  17  17  "H4'"   "H1'"  0.25  
116   59  1   5   5  "H4'"   H6     0.25  
117   25  1  26  27  "H2'"   H6     0.25  
118   14  1  62  62  "H1'"   H8     0.25  
119  137  1  84  84  "H2'"   "H1'"  0.24  
120   95  1  20  21  "H2'"   H6     0.24  
121   91  1  20  20  H2      H61    0.24  
122   84  1  68  68  "H1'"   H8     0.24  
123   84  1  92  92  "H1'"   H8     0.24  
124   83  1  55  56  "H2''"  H8     0.24  
125   77  1  67  67  "H3'"   H6     0.24  
126   56  1  17  17  "H2''"  H6     0.24  
127   51  1  28  29  "H2'"   H6     0.24  
128   35  1  87  87  H42     H41    0.24  
129   14  1  14  14  "H1'"   H8     0.24  
130   10  1  13  13  H41     H5     0.24  
131   84  1  32  32  "H1'"   H8     0.23  
132   51  1  16  17  "H2'"   H6     0.23  
133   35  1  51  51  H42     H41    0.23  
134   14  1  50  50  "H1'"   H8     0.23  
135  137  1  72  72  "H2'"   "H1'"  0.22  
136  106  1  45  46  "H1'"   H8     0.22  
137   94  1   8   9  "H1'"   H6     0.22  
138   83  1  19  20  "H2''"  H8     0.22  
139   59  1  89  89  "H4'"   H6     0.22  
140  139  1  12  12  "H3'"   H8     0.21  
141  130  1  71  71  "H4'"   "H1'"  0.21  
142  130  1  83  83  "H4'"   "H1'"  0.21  
143   82  1   7   8  "H2'"   H8     0.21  
144   80  1  91  91  H41     H5     0.21  
145   67  1  54  54  "H2'"   "H1'"  0.21  
146   59  1  65  65  "H4'"   H6     0.21  
147   56  1  65  65  "H2''"  H6     0.21  
148   41  1  64  64  "H1'"   H8     0.21  
149   27  1  39  39  "H1'"   H6     0.21  
150   10  1  25  25  H41     H5     0.21  
151   19  2  52  57  O6      H42    0.20  
152  105  1  81  81  H42     H41    0.20  
153  101  1  33  33  "H4'"   "H1'"  0.20  
154   87  1   8   8  "H3'"   H8     0.20  
155   84  1  56  56  "H1'"   H8     0.20  
156   60  1   5   5  "H4'"   "H1'"  0.20  
157   60  1  65  65  "H4'"   "H1'"  0.20  
158   14  1  86  86  "H1'"   H8     0.20  
159   30  2  54  55  O6      H42    0.19  
160  126  1  47  47  "H2''"  H6     0.19  
161   90  1  92  92  "H4'"   "H1'"  0.19  
162   84  1  20  20  "H1'"   H8     0.19  
163   84  1  44  44  "H1'"   H8     0.19  
164   82  1  31  32  "H2'"   H8     0.19  
165   51  1  40  41  "H2'"   H6     0.19  
166   47  1  52  52  "H4'"   H8     0.19  
167   47  1  64  64  "H4'"   H8     0.19  
168   41  1  76  76  "H1'"   H8     0.19  
169   39  1  15  16  H42     H1     0.19  
170   18  1  50  50  "H3'"   "H1'"  0.19  
171  121  1  70  71  "H2'"   H6     0.18  
172  100  1  21  21  "H3'"   H6     0.18  
173   97  1  81  81  "H1'"   H6     0.18  
174   90  1  80  80  "H4'"   "H1'"  0.18  
175   88  1  44  44  "H3'"   "H1'"  0.18  
176   80  1  31  31  H41     H5     0.18  
177   76  1  91  91  "H2''"  H6     0.18  
178   72  1  19  19  "H1'"   H6     0.18  
179   56  1  53  53  "H2''"  H6     0.18  
180   41  1   4   4  "H1'"   H8     0.18  
181   15  1   2   2  "H2'"   "H1'"  0.18  
182   10  1  49  49  H41     H5     0.18  
183   24  2  77  80  H3      N1     0.17  
184   21  2  77  80  H3      N1     0.17  
185   20  2  52  57  O6      N4     0.17  
186    9  2   2  11  N1      H3     0.17  
187    6  2   2  11  N1      H3     0.17  
188  118  1  46  46  "H4'"   "H1'"  0.17  
189  103  1   9   9  H42     H5     0.17  
190   95  1  32  33  "H2'"   H6     0.17  
191   78  1  79  79  "H4'"   "H1'"  0.17  
192   39  1  75  76  H42     H1     0.17  
193   25  1  62  63  "H2'"   H6     0.17  
194   21  1  86  86  H2      H61    0.17  
195   12  1  49  50  "H2'"   H8     0.17  
196  130  1  59  59  "H4'"   "H1'"  0.16  
197  126  1  95  95  "H2''"  H6     0.16  
198  100  1  45  45  "H3'"   H6     0.16  
199   91  1  92  92  H2      H61    0.16  
200   87  1  92  92  "H3'"   H8     0.16  
201   85  1   8   8  "H2'"   "H1'"  0.16  
202   72  1  79  79  "H1'"   H6     0.16  
203   60  1  41  41  "H4'"   "H1'"  0.16  
204   56  1  41  41  "H2''"  H6     0.16  
205   51  1  52  53  "H2'"   H6     0.16  
206   47  1   4   4  "H4'"   H8     0.16  
207   27  1  87  87  "H1'"   H6     0.16  
208   21  1  26  26  H2      H61    0.16  
209   12  1  13  14  "H2'"   H8     0.16  
210   10  1   1   1  H41     H5     0.16  
211   17  2   4   9  H21     O2     0.15  
212  101  1  57  57  "H4'"   "H1'"  0.15  
213   88  1  32  32  "H3'"   "H1'"  0.15  
214   82  1  55  56  "H2'"   H8     0.15  
215   72  1  55  55  "H1'"   H6     0.15  
216   67  1  90  90  "H2'"   "H1'"  0.15  
217   37  1   3   4  "H2'"   H8     0.15  
218   21  1   2   2  H2      H61    0.15  
219   18  1   2   2  "H3'"   "H1'"  0.15  
220   11  1  49  50  "H1'"   H8     0.15  
221    9  2  38  47  N1      H3     0.14  
222    9  2  50  59  N1      H3     0.14  
223    6  2  38  47  N1      H3     0.14  
224    6  2  50  59  N1      H3     0.14  
225  121  1  22  23  "H2'"   H6     0.14  
226  113  1  70  70  "H2'"   "H1'"  0.14  
227  113  1  94  94  "H2'"   "H1'"  0.14  
228   82  1  91  92  "H2'"   H8     0.14  
229   56  1  77  77  "H2''"  H6     0.14  
230   21  1  50  50  H2      H61    0.14  
231   17  1  14  14  "H3'"   H8     0.14  
232   17  1  74  74  "H3'"   H8     0.14  
233   30  2  66  67  O6      H42    0.13  
234   16  2  88  93  H1      N3     0.13  
235  130  1  11  11  "H4'"   "H1'"  0.13  
236  126  1  71  71  "H2''"  H6     0.13  
237  121  1  58  59  "H2'"   H6     0.13  
238  118  1  10  10  "H4'"   "H1'"  0.13  
239   91  1  32  32  H2      H61    0.13  
240   84  1  80  80  "H1'"   H8     0.13  
241   82  1  79  80  "H2'"   H8     0.13  
242   76  1   7   7  "H2''"  H6     0.13  
243   72  1   7   7  "H1'"   H6     0.13  
244   65  1  90  90  "H1'"   H8     0.13  
245   56  1   5   5  "H2''"  H6     0.13  
246   56  1  89  89  "H2''"  H6     0.13  
247   41  1  28  28  "H1'"   H8     0.13  
248   27  1  51  51  "H1'"   H6     0.13  
249   25  1  14  15  "H2'"   H6     0.13  
250   25  1  74  75  "H2'"   H6     0.13  
251   21  1  74  74  H2      H61    0.13  
252   18  1  14  14  "H3'"   "H1'"  0.13  
253   17  1  26  26  "H3'"   H8     0.13  
254    2  1  73  73  "H1'"   H6     0.13  
255   24  2  29  32  H3      N1     0.12  
256   21  2  29  32  H3      N1     0.12  
257    9  2  74  83  N1      H3     0.12  
258    6  2  74  83  N1      H3     0.12  
259  139  1  48  48  "H3'"   H8     0.12  
260  113  1  82  82  "H2'"   "H1'"  0.12  
261  111  1  82  82  "H1'"   H8     0.12  
262  111  1  94  94  "H1'"   H8     0.12  
263   95  1  56  57  "H2'"   H6     0.12  
264   85  1  68  68  "H2'"   "H1'"  0.12  
265   78  1  67  67  "H4'"   "H1'"  0.12  
266   72  1  43  43  "H1'"   H6     0.12  
267   43  1  28  28  "H2'"   "H1'"  0.12  
268   39  1  87  88  H42     H1     0.12  
269   36  1  39  40  "H1'"   H8     0.12  
270   30  1   3   3  "H3'"   H6     0.12  
271   15  1  14  14  "H2'"   "H1'"  0.12  
272   13  1  73  74  "H2''"  H8     0.12  
273   12  1  61  62  "H2'"   H8     0.12  
274    2  1  13  13  "H1'"   H6     0.12  
275   24  2  53  56  H3      N1     0.11  
276   21  2  53  56  H3      N1     0.11  
277    9  2  26  35  N1      H3     0.11  
278    9  2  62  71  N1      H3     0.11  
279    6  2  26  35  N1      H3     0.11  
280    6  2  62  71  N1      H3     0.11  
281    4  2  13  24  O2      H21    0.11  
282  133  1  11  12  "H2'"   H8     0.11  
283  130  1  23  23  "H4'"   "H1'"  0.11  
284  121  1  34  35  "H2'"   H6     0.11  
285  117  1  70  70  "H4'"   H8     0.11  
286  113  1  34  34  "H2'"   "H1'"  0.11  
287  107  1  81  82  "H2'"   H8     0.11  
288  106  1  81  82  "H1'"   H8     0.11  
289   96  1  80  81  "H2''"  H6     0.11  
290   95  1  80  81  "H2'"   H6     0.11  
291   88  1  80  80  "H3'"   "H1'"  0.11  
292   88  1  92  92  "H3'"   "H1'"  0.11  
293   85  1  56  56  "H2'"   "H1'"  0.11  
294   85  1  80  80  "H2'"   "H1'"  0.11  
295   80  1  43  43  H41     H5     0.11  
296   68  1  90  90  "H2''"  "H1'"  0.11  
297   62  1  65  66  "H1'"   H8     0.11  
298   60  1  29  29  "H4'"   "H1'"  0.11  
299   47  1  76  76  "H4'"   H8     0.11  
300   39  1  51  52  H42     H1     0.11  
301   39  1  63  64  H42     H1     0.11  
302   34  1  27  27  H41     H5     0.11  
303   27  1  75  75  "H1'"   H6     0.11  
304   20  1   2   2  "H4'"   "H1'"  0.11  
305   12  1   1   2  "H2'"   H8     0.11  
306    6  1   1   1  "H2''"  H6     0.11  
307    6  1  37  37  "H2''"  H6     0.11  
308    6  1  73  73  "H2''"  H6     0.11  
309   28  2   6   7  H21     O2     0.10  
310  135  1  36  36  "H1'"   H8     0.10  
311  126  1  11  11  "H2''"  H6     0.10  
312  126  1  23  23  "H2''"  H6     0.10  
313  113  1  22  22  "H2'"   "H1'"  0.10  
314  113  1  46  46  "H2'"   "H1'"  0.10  
315   91  1  44  44  H2      H61    0.10  
316   76  1  31  31  "H2''"  H6     0.10  
317   47  1  16  16  "H4'"   H8     0.10  
318   41  1  16  16  "H1'"   H8     0.10  
319   21  1  62  62  H2      H61    0.10  
320   20  1  26  26  "H4'"   "H1'"  0.10  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  chemicalshiftanalysis  2.36                                                                  Y  
3  panav                  "Wang et al. (2010)"                                                  Y  
4  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             N  
5  restraintsanalysis     v1.2                                                                  Y  
6  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  N  
##
