data_107D

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  107D
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    107D
_pdbx_vrpt_summary.PDB_deposition_date         1995-01-17
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2024-03-13
_pdbx_vrpt_summary.report_creation_date        2024-03-04:08:09
_pdbx_vrpt_summary.attempted_validation_steps  mogul,buster-report,molprobity,validation-pack,coreclust,chemicalshiftanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "DNA (5'-D(*CP*CP*TP*TP*TP*TP*C)-3')"  
2  polymer      "DNA (5'-D(*GP*AP*AP*AP*AP*GP*G)-3')"  
3  non-polymer  "4-HYDROXY-2,8-DIMETHYL-1-OXO-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
#
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  17.92  158937  ?     ?     
2  2  1  42.52   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  2.70  1.64  147  224  
2  1  2  B  B  2.01  1.34  167  257  
3  2  1  A  A  2.39  1.69  147  224  
4  2  2  B  B  1.98  1.37  167  257  
5  3  1  A  A  2.63  1.60  147  224  
6  3  2  B  B  1.99  1.37  167  257  
7  4  1  A  A  2.42  1.66  147  224  
8  4  2  B  B  2.18  1.45  167  257  
#
_pdbx_vrpt_summary_geometry.ordinal                 1
_pdbx_vrpt_summary_geometry.clashscore              14.82
_pdbx_vrpt_summary_geometry.clashscore_full_length  14.82
_pdbx_vrpt_summary_geometry.num_H_reduce            752
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ          1256
_pdbx_vrpt_summary_geometry.bonds_RMSZ              1.51
_pdbx_vrpt_summary_geometry.num_angles_RMSZ         1924
_pdbx_vrpt_summary_geometry.angles_RMSZ             2.28
#
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_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
 1  1  1  A  1  DC   A   1  .  ?        ?     3     ?     ?     ?     ?  
 2  1  1  A  2  DC   A   2  .  ?        ?     2     1     ?     ?     ?  
 3  1  1  A  3  DT   A   3  .  ?        1     3     2     ?     ?     ?  
 4  1  1  A  4  DT   A   4  .  ?        1     2     1     ?     ?     ?  
 5  1  1  A  5  DT   A   5  .  ?        1     1     ?     ?     ?     ?  
 6  1  1  A  6  DT   A   6  .  ?        1     2     ?     ?     ?     ?  
 7  1  1  A  7  DC   A   7  .  ?        1     1     ?     ?     ?     ?  
 8  1  2  B  1  DG   B   8  .  ?        ?     ?     ?     ?     ?     ?  
 9  1  2  B  2  DA   B   9  .  ?        ?     1     3     ?     ?     ?  
10  1  2  B  3  DA   B  10  .  ?        ?     1     3     ?     ?     ?  
11  1  2  B  4  DA   B  11  .  ?        ?     ?     1     ?     ?     ?  
12  1  2  B  5  DA   B  12  .  ?        1     2     2     ?     ?     ?  
13  1  2  B  6  DG   B  13  .  ?        ?     1     ?     ?     ?     ?  
14  1  2  B  7  DG   B  14  .  ?        ?     1     ?     ?     ?     ?  
15  1  3  C  .  DUO  B  15  .  ?        ?     ?     1     8    20    11  
16  2  1  A  1  DC   A   1  .  ?        ?     2     ?     ?     ?     ?  
17  2  1  A  2  DC   A   2  .  ?        ?     2     2     ?     ?     ?  
18  2  1  A  3  DT   A   3  .  ?        1     3     3     ?     ?     ?  
19  2  1  A  4  DT   A   4  .  ?        1     2     1     ?     ?     ?  
20  2  1  A  5  DT   A   5  .  ?        1     1     ?     ?     ?     ?  
21  2  1  A  6  DT   A   6  .  ?        1     2     ?     ?     ?     ?  
22  2  1  A  7  DC   A   7  .  ?        1     1     ?     ?     ?     ?  
23  2  2  B  1  DG   B   8  .  ?        ?     ?     ?     ?     ?     ?  
24  2  2  B  2  DA   B   9  .  ?        ?     1     3     ?     ?     ?  
25  2  2  B  3  DA   B  10  .  ?        ?     1     3     ?     ?     ?  
26  2  2  B  4  DA   B  11  .  ?        ?     ?     2     ?     ?     ?  
27  2  2  B  5  DA   B  12  .  ?        ?     2     1     ?     ?     ?  
28  2  2  B  6  DG   B  13  .  ?        ?     1     ?     ?     ?     ?  
29  2  2  B  7  DG   B  14  .  ?        ?     1     ?     ?     ?     ?  
30  2  3  C  .  DUO  B  15  .  ?        ?     ?     1     8    17    11  
31  3  1  A  1  DC   A   1  .  ?        ?     3     ?     ?     ?     ?  
32  3  1  A  2  DC   A   2  .  ?        ?     2     1     ?     ?     ?  
33  3  1  A  3  DT   A   3  .  ?        1     1     1     ?     ?     ?  
34  3  1  A  4  DT   A   4  .  ?        1     2     2     ?     ?     ?  
35  3  1  A  5  DT   A   5  .  ?        1     1     ?     ?     ?     ?  
36  3  1  A  6  DT   A   6  .  ?        1     1     ?     ?     ?     ?  
37  3  1  A  7  DC   A   7  .  ?        1     1     ?     ?     ?     ?  
38  3  2  B  1  DG   B   8  .  ?        ?     ?     ?     ?     ?     ?  
39  3  2  B  2  DA   B   9  .  ?        ?     ?     2     ?     ?     ?  
40  3  2  B  3  DA   B  10  .  ?        ?     ?     3     ?     ?     ?  
41  3  2  B  4  DA   B  11  .  ?        ?     ?     1     ?     ?     ?  
42  3  2  B  5  DA   B  12  .  ?        1     2     1     ?     ?     ?  
43  3  2  B  6  DG   B  13  .  ?        ?     1     ?     ?     ?     ?  
44  3  2  B  7  DG   B  14  .  ?        ?     1     ?     ?     ?     ?  
45  3  3  C  .  DUO  B  15  .  ?        ?     ?     1     9    17     8  
46  4  1  A  1  DC   A   1  .  ?        ?     3     ?     ?     ?     ?  
47  4  1  A  2  DC   A   2  .  ?        ?     3     1     ?     ?     ?  
48  4  1  A  3  DT   A   3  .  ?        1     2     6     ?     ?     ?  
49  4  1  A  4  DT   A   4  .  ?        1     1     2     ?     ?     ?  
50  4  1  A  5  DT   A   5  .  ?        1     ?     1     ?     ?     ?  
51  4  1  A  6  DT   A   6  .  ?        1     1     ?     ?     ?     ?  
52  4  1  A  7  DC   A   7  .  ?        1     2     ?     ?     ?     ?  
53  4  2  B  1  DG   B   8  .  ?        ?     1     ?     ?     ?     ?  
54  4  2  B  2  DA   B   9  .  ?        ?     2     1     ?     ?     ?  
55  4  2  B  3  DA   B  10  .  ?        ?     1     2     ?     ?     ?  
56  4  2  B  4  DA   B  11  .  ?        ?     ?     2     ?     ?     ?  
57  4  2  B  5  DA   B  12  .  ?        1     2     2     ?     ?     ?  
58  4  2  B  6  DG   B  13  .  ?        ?     1     ?     ?     ?     ?  
59  4  2  B  7  DG   B  14  .  ?        ?     1     ?     ?     ?     ?  
60  4  3  C  .  DUO  B  15  .  ?        ?     ?     1     9    19     4  
#
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  1.14  28  3.45  molprobity  
 2   2  11  21  1.34  32  2.31  molprobity  
 3   3  12  22  1.51  34  2.83  molprobity  
 4   4  12  22  1.85  34  3.05  molprobity  
 5   5  12  22  1.84  34  2.33  molprobity  
 6   6  12  22  1.61  34  2.60  molprobity  
 7   7  12  20  1.93  28  2.11  molprobity  
 8   8  12  22  1.08  35  1.61  molprobity  
 9   9  11  24  0.95  37  1.58  molprobity  
10  10  11  24  1.40  37  2.13  molprobity  
11  11  11  24  1.49  37  1.84  molprobity  
12  12  11  24  1.93  37  2.51  molprobity  
13  13  11  25  1.15  39  2.04  molprobity  
14  14  12  24  1.08  35  2.18  molprobity  
15  15  26  39  1.89  41  3.58  mogul       
16  16  12  18  1.07  28  2.54  molprobity  
17  17  11  21  1.38  32  2.39  molprobity  
18  18  12  22  1.63  34  2.56  molprobity  
19  19  12  22  1.80  34  2.67  molprobity  
20  20  12  22  2.00  34  2.11  molprobity  
21  21  12  22  1.62  34  2.32  molprobity  
22  22  12  20  2.03  28  2.06  molprobity  
23  23  12  22  1.06  35  1.53  molprobity  
24  24  11  24  1.07  37  1.63  molprobity  
25  25  11  24  1.37  37  2.10  molprobity  
26  26  11  24  1.67  37  2.02  molprobity  
27  27  11  24  1.83  37  2.34  molprobity  
28  28  11  25  1.25  39  2.13  molprobity  
29  29  12  24  1.10  35  1.94  molprobity  
30  30  26  39  1.87  41  3.35  mogul       
31  31  12  18  1.23  28  3.59  molprobity  
32  32  11  21  1.30  32  2.34  molprobity  
33  33  12  22  1.67  34  2.62  molprobity  
34  34  12  22  1.75  34  3.03  molprobity  
35  35  12  22  1.59  34  2.30  molprobity  
36  36  12  22  1.51  34  2.22  molprobity  
37  37  12  20  2.00  28  2.03  molprobity  
38  38  12  22  0.99  35  1.40  molprobity  
39  39  11  24  1.07  37  1.48  molprobity  
40  40  11  24  1.33  37  1.91  molprobity  
41  41  11  24  1.68  37  1.97  molprobity  
42  42  11  24  1.93  37  2.67  molprobity  
43  43  11  25  1.17  39  2.11  molprobity  
44  44  12  24  1.14  35  2.11  molprobity  
45  45  26  39  1.88  41  3.21  mogul       
46  46  12  18  1.10  28  2.60  molprobity  
47  47  11  21  1.31  32  2.40  molprobity  
48  48  12  22  1.88  34  2.68  molprobity  
49  49  12  22  1.75  34  2.60  molprobity  
50  50  12  22  1.68  34  2.07  molprobity  
51  51  12  22  1.65  34  2.32  molprobity  
52  52  12  20  1.98  28  2.16  molprobity  
53  53  12  22  1.11  35  2.12  molprobity  
54  54  11  24  1.33  37  2.33  molprobity  
55  55  11  24  1.62  37  2.36  molprobity  
56  56  11  24  1.62  37  1.84  molprobity  
57  57  11  24  1.91  37  2.43  molprobity  
58  58  11  25  1.26  39  2.04  molprobity  
59  59  12  24  1.07  35  2.03  molprobity  
60  60  26  39  1.89  41  3.44  mogul       
#
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  "H2''"   1  0.61  2.30  
 2   3  C6       1  0.61  2.30  
 3   3  "H2''"   2  0.42  2.14  
 4   4  OP2      2  0.42  2.14  
 5   9  C2       3  0.49  3.01  
 6   9  C2       4  0.45  3.05  
 7   9  C2       5  0.45  2.85  
 8  10  C4       3  0.49  3.01  
 9  10  C2       4  0.45  3.05  
10  10  N3       5  0.45  2.85  
11  11  C6       6  0.43  3.07  
12  12  "H1'"    7  0.58  1.76  
13  12  C6       6  0.43  3.07  
14  15  H103     7  0.58  1.76  
15  17  "H2''"   8  0.64  2.28  
16  17  "H2''"   9  0.51  2.39  
17  18  C6       8  0.64  2.28  
18  18  C5       9  0.51  2.39  
19  18  "H4'"   10  0.47  2.09  
20  19  OP1     10  0.47  2.09  
21  24  C2      11  0.48  3.01  
22  24  C2      12  0.48  3.02  
23  24  C2      13  0.42  2.87  
24  25  C4      11  0.48  3.01  
25  25  C2      12  0.48  3.02  
26  25  N3      13  0.42  2.87  
27  26  OP2     14  0.40  1.99  
28  26  H8      14  0.40  1.99  
29  27  "H1'"   15  0.60  1.74  
30  30  H103    15  0.60  1.74  
31  32  "H2''"  16  0.50  2.42  
32  33  C6      16  0.50  2.42  
33  34  OP2     17  0.47  1.92  
34  34  H6      17  0.47  1.92  
35  39  C2      18  0.47  3.01  
36  39  C2      19  0.44  3.05  
37  40  C2      18  0.47  3.01  
38  40  "H2''"  20  0.47  2.44  
39  40  C4      19  0.44  3.05  
40  41  C8      20  0.47  2.44  
41  42  "H1'"   21  0.58  1.74  
42  45  H103    21  0.58  1.74  
43  47  "H2''"  22  0.59  2.32  
44  48  C6      22  0.59  2.32  
45  48  C6      23  0.43  2.71  
46  48  "H1'"   24  0.59  1.97  
47  48  OP2     25  0.48  1.91  
48  48  OP2     23  0.43  2.71  
49  48  H6      25  0.48  1.91  
50  49  OP1     24  0.59  1.97  
51  49  "H2''"  26  0.42  2.49  
52  50  C6      26  0.42  2.49  
53  54  C2      27  0.48  3.00  
54  55  C2      27  0.48  3.00  
55  55  "H2''"  28  0.42  2.49  
56  56  C6      29  0.43  3.06  
57  56  C8      28  0.42  2.49  
58  57  "H1'"   30  0.56  1.76  
59  57  C6      29  0.43  3.06  
60  60  H103    30  0.56  1.76  
#
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
 1   3  C5  C7  1.529  1.496  0.006  5.58  
 2   4  C5  C7  1.526  1.496  0.006  5.02  
 3   5  C5  C7  1.537  1.496  0.006  6.91  
 4   6  C5  C7  1.531  1.496  0.006  5.87  
 5   7  N1  C6  1.401  1.367  0.006  5.66  
 6  12  N3  C4  1.375  1.344  0.006  5.20  
 7  18  C5  C7  1.534  1.496  0.006  6.35  
 8  19  C5  C7  1.533  1.496  0.006  6.11  
 9  20  C5  C7  1.544  1.496  0.006  7.97  
10  21  C5  C7  1.532  1.496  0.006  6.01  
11  22  N1  C6  1.402  1.367  0.006  5.85  
12  33  C5  C7  1.527  1.496  0.006  5.12  
13  34  C5  C7  1.527  1.496  0.006  5.12  
14  35  C5  C7  1.530  1.496  0.006  5.68  
15  36  C5  C7  1.529  1.496  0.006  5.51  
16  37  N1  C6  1.402  1.367  0.006  5.80  
17  42  N3  C4  1.374  1.344  0.006  5.04  
18  48  C5  C7  1.536  1.496  0.006  6.61  
19  49  C5  C7  1.528  1.496  0.006  5.31  
20  50  C5  C7  1.535  1.496  0.006  6.53  
21  51  C5  C7  1.531  1.496  0.006  5.82  
22  52  N1  C6  1.400  1.367  0.006  5.43  
23  57  N3  C4  1.375  1.344  0.006  5.19  
#
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  "C1'"  "O4'"  "C4'"  104.921  110.100  1.000  -5.18  ?     
 2   1  "O4'"  "C1'"  "C2'"  100.359  105.900  0.800  -6.93  ?     
 3   1  "O4'"  "C1'"  N1     117.649  108.000  0.700  13.78  ?     
 4   2  N1     C2     O2     122.850  118.900  0.600   6.58  ?     
 5   2  "O4'"  "C1'"  "C2'"  101.636  105.900  0.800  -5.33  ?     
 6   3  C6     C5     C7     119.239  122.900  0.600  -6.10  ?     
 7   3  N3     C2     O2     119.128  122.300  0.600  -5.29  ?     
 8   3  "O4'"  "C1'"  N1     113.402  108.000  0.700   7.72  ?     
 9   4  C6     C5     C7     118.952  122.900  0.600  -6.58  ?     
10   4  N3     C2     O2     118.648  122.300  0.600  -6.09  ?     
11   5  C6     C5     C7     119.113  122.900  0.600  -6.31  ?     
12   6  "C1'"  "O4'"  "C4'"  104.607  110.100  1.000  -5.49  ?     
13   6  C6     C5     C7     118.938  122.900  0.600  -6.60  ?     
14   7  N1     C2     O2     122.449  118.900  0.600   5.92  ?     
15   9  P      "O3'"  "C3'"  125.816  119.700  1.200   5.10  Y     
16  10  "O4'"  "C1'"  N9     113.468  108.000  0.700   7.81  ?     
17  12  "O4'"  "C1'"  "C2'"  100.717  105.900  0.800  -6.48  ?     
18  12  "O4'"  "C1'"  N9     114.193  108.000  0.700   8.85  ?     
19  13  P      "O3'"  "C3'"  128.155  119.700  1.200   7.05  Y     
20  14  "O4'"  "C1'"  N9     114.252  108.000  0.700   8.93  ?     
21  16  "O4'"  "C1'"  "C2'"  100.744  105.900  0.800  -6.45  ?     
22  16  "O4'"  "C1'"  N1     112.696  108.000  0.700   6.71  ?     
23  17  N1     C2     O2     123.143  118.900  0.600   7.07  ?     
24  17  "O4'"  "C4'"  "C3'"  109.766  106.000  0.600   6.28  ?     
25  18  P      "O3'"  "C3'"  127.238  119.700  1.200   6.28  Y     
26  18  C6     C5     C7     119.568  122.900  0.600  -5.55  ?     
27  18  N3     C2     O2     118.995  122.300  0.600  -5.51  ?     
28  19  C6     C5     C7     119.178  122.900  0.600  -6.20  ?     
29  19  N3     C2     O2     119.044  122.300  0.600  -5.43  ?     
30  20  C6     C5     C7     119.828  122.900  0.600  -5.12  ?     
31  21  "C1'"  "O4'"  "C4'"  104.754  110.100  1.000  -5.35  ?     
32  21  C6     C5     C7     119.370  122.900  0.600  -5.88  ?     
33  22  N1     C2     O2     122.323  118.900  0.600   5.71  ?     
34  24  P      "O3'"  "C3'"  125.890  119.700  1.200   5.16  Y     
35  25  "O4'"  "C1'"  N9     112.125  108.000  0.700   5.89  ?     
36  27  "O4'"  "C1'"  "C2'"  101.374  105.900  0.800  -5.66  ?     
37  27  "O4'"  "C1'"  N9     114.050  108.000  0.700   8.64  ?     
38  28  P      "O3'"  "C3'"  127.771  119.700  1.200   6.73  Y     
39  29  "O4'"  "C1'"  N9     112.646  108.000  0.700   6.64  ?     
40  31  "C1'"  "O4'"  "C4'"  104.825  110.100  1.000  -5.28  ?     
41  31  "O4'"  "C1'"  "C2'"  100.627  105.900  0.800  -6.59  ?     
42  31  "O4'"  "C1'"  N1     118.245  108.000  0.700  14.63  ?     
43  32  N1     C2     O2     122.532  118.900  0.600   6.05  ?     
44  32  "O4'"  "C1'"  "C2'"  101.755  105.900  0.800  -5.18  ?     
45  33  C6     C5     C7     119.387  122.900  0.600  -5.86  ?     
46  34  C6     C5     C7     118.957  122.900  0.600  -6.57  ?     
47  34  N3     C2     O2     118.843  122.300  0.600  -5.76  ?     
48  35  "O4'"  "C4'"  "C3'"  109.108  106.000  0.600   5.18  ?     
49  36  "C1'"  "O4'"  "C4'"  104.906  110.100  1.000  -5.19  ?     
50  37  N1     C2     O2     122.124  118.900  0.600   5.37  ?     
51  42  "O4'"  "C1'"  "C2'"   99.466  105.900  0.800  -8.04  ?     
52  42  "O4'"  "C1'"  N9     114.431  108.000  0.700   9.19  ?     
53  43  P      "O3'"  "C3'"  128.673  119.700  1.200   7.48  Y     
54  44  "O4'"  "C1'"  N9     113.648  108.000  0.700   8.07  ?     
55  46  N1     C2     O2     122.051  118.900  0.600   5.25  ?     
56  46  "O4'"  "C1'"  "C2'"  100.960  105.900  0.800  -6.17  ?     
57  46  "O4'"  "C1'"  N1     112.763  108.000  0.700   6.80  ?     
58  47  N1     C2     O2     123.084  118.900  0.600   6.97  ?     
59  47  N3     C2     O2     118.371  121.900  0.700  -5.04  ?     
60  47  "O4'"  "C4'"  "C3'"  109.688  106.000  0.600   6.15  ?     
61  48  P      "O3'"  "C3'"  127.590  119.700  1.200   6.58  Y     
62  48  N3     C2     O2     118.783  122.300  0.600  -5.86  ?     
63  49  N3     C2     O2     118.967  122.300  0.600  -5.55  ?     
64  51  C6     C5     C7     119.129  122.900  0.600  -6.28  ?     
65  52  N1     C2     O2     122.731  118.900  0.600   6.38  ?     
66  52  N3     C2     O2     118.388  121.900  0.700  -5.02  ?     
67  53  P      "O3'"  "C3'"  127.863  119.700  1.200   6.80  Y     
68  54  P      "O3'"  "C3'"  127.491  119.700  1.200   6.49  Y     
69  54  "O4'"  "C1'"  N9     114.529  108.000  0.700   9.33  ?     
70  55  "O4'"  "C1'"  N9     114.503  108.000  0.700   9.29  ?     
71  57  "C4'"  "C3'"  "C2'"   97.882  103.100  0.900  -5.80  ?     
72  57  "O4'"  "C1'"  "C2'"  100.091  105.900  0.800  -7.26  ?     
73  58  P      "O3'"  "C3'"  127.620  119.700  1.200   6.60  Y     
74  59  "O4'"  "C1'"  N9     112.400  108.000  0.700   6.29  ?     
#
loop_
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval
_pdbx_vrpt_instance_mogul_bond_outliers.mean
_pdbx_vrpt_instance_mogul_bond_outliers.numobs
_pdbx_vrpt_instance_mogul_bond_outliers.stdev
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff
 1  15  C5   N1   1.45  1.37    35  0.03   3.25  0.03  
 2  15  C2   C3   1.48  1.55    25  0.01  -4.47  0.03  
 3  15  C2   C34  1.50  1.54    20  0.01  -3.01  0.02  
 4  15  C8   N13  1.45  1.39  6705  0.02   3.13  0.00  
 5  15  C12  C11  1.48  1.53    28  0.01  -3.62  0.03  
 6  15  C14  N13  1.46  1.36   328  0.02   6.25  0.03  
 7  15  C17  C22  1.39  1.43    20  0.01  -2.55  0.02  
 8  15  O36  C34  1.39  1.33  9151  0.02   3.08  0.00  
 9  30  C5   N1   1.45  1.37    35  0.03   3.21  0.03  
10  30  C2   C3   1.48  1.55    25  0.01  -4.30  0.03  
11  30  C2   C34  1.49  1.54    20  0.01  -3.84  0.03  
12  30  C8   N13  1.45  1.39  6705  0.02   3.07  0.00  
13  30  C12  C11  1.49  1.53    28  0.01  -2.88  0.02  
14  30  C14  N13  1.46  1.36   328  0.02   6.23  0.03  
15  30  C17  C22  1.39  1.43    20  0.01  -2.62  0.02  
16  30  O36  C34  1.38  1.33  9151  0.02   2.75  0.00  
17  45  C5   N1   1.45  1.37    35  0.03   3.43  0.04  
18  45  C2   C3   1.49  1.55    25  0.01  -4.22  0.02  
19  45  C2   C34  1.49  1.54    20  0.01  -3.83  0.03  
20  45  C8   N13  1.45  1.39  6705  0.02   3.07  0.00  
21  45  C12  C11  1.49  1.53    28  0.01  -3.25  0.02  
22  45  C14  N13  1.46  1.36   328  0.02   6.06  0.04  
23  45  C17  C22  1.39  1.43    20  0.01  -2.60  0.02  
24  45  C18  C19  1.40  1.36  2979  0.02   2.15  0.00  
25  45  O36  C34  1.38  1.33  9151  0.02   2.53  0.00  
26  60  C5   N1   1.46  1.37    35  0.03   3.56  0.04  
27  60  C2   C3   1.48  1.55    25  0.01  -4.42  0.03  
28  60  C2   C34  1.50  1.54    20  0.01  -2.99  0.02  
29  60  C8   N13  1.45  1.39  6705  0.02   3.12  0.00  
30  60  C12  C11  1.48  1.53    28  0.01  -3.57  0.03  
31  60  C14  N13  1.46  1.36   328  0.02   6.15  0.04  
32  60  C17  C22  1.39  1.43    20  0.01  -2.43  0.01  
33  60  C18  C19  1.40  1.36  2979  0.02   2.05  0.00  
34  60  O36  C34  1.38  1.33  9151  0.02   2.71  0.00  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
 1  15  C33  C2   N1   103.08  111.24     33  0.93  -8.79  6.03  
 2  15  C34  C2   N1   119.58  111.16     21  2.36   3.56  4.89  
 3  15  O32  C3   C2   126.94  122.20     24  1.34   3.53  2.80  
 4  15  O32  C3   C4   124.91  130.66    141  2.31  -2.49  0.20  
 5  15  O31  C6   C5   124.31  118.22     44  2.99   2.04  0.09  
 6  15  C7   C8   C9   118.86  122.40     26  0.85  -4.16  1.60  
 7  15  C4   C9   C11  127.24  131.79    138  1.49  -3.05  0.62  
 8  15  C10  C11  C12  107.82  111.72     28  1.92  -2.03  1.59  
 9  15  C11  C12  N13  109.06  104.27     26  1.20   3.98  2.49  
10  15  C12  N13  C8   101.91  109.21     21  1.15  -6.33  5.21  
11  15  C15  C14  N13  127.30  118.39     25  1.24   7.16  7.12  
12  15  O30  C14  N13  113.29  121.69    327  1.32  -6.35  0.62  
13  15  C15  C16  C17  109.65  106.55     27  1.25   2.48  0.38  
14  15  C18  C19  C20  117.82  120.15    117  1.09  -2.14  0.36  
15  15  O24  C19  C18  120.91  125.24    975  1.29  -3.34  0.02  
16  15  O24  C19  C20  121.27  115.16   9661  1.76   3.47  0.00  
17  15  C15  N23  C22  111.99  103.90     29  2.05   3.94  2.61  
18  15  C25  O24  C19  121.80  117.53  10000  1.51   2.83  0.01  
19  15  O36  C34  C2   121.69  111.77     24  0.81  12.25  8.48  
20  15  O36  C34  O35  118.50  123.93   9151  1.75  -3.10  0.01  
21  30  C33  C2   N1   107.23  111.24     33  0.93  -4.32  1.88  
22  30  C34  C2   N1   116.34  111.16     21  2.36   2.19  1.65  
23  30  O32  C3   C2   127.41  122.20     24  1.34   3.88  3.27  
24  30  O32  C3   C4   123.89  130.66    141  2.31  -2.92  0.31  
25  30  C7   C8   C9   119.16  122.40     26  0.85  -3.81  1.30  
26  30  C10  C11  C12  107.67  111.72     28  1.92  -2.11  1.74  
27  30  C11  C12  N13  109.40  104.27     26  1.20   4.26  2.83  
28  30  C12  N13  C8   102.55  109.21     21  1.15  -5.78  4.58  
29  30  C15  C14  N13  128.11  118.39     25  1.24   7.82  7.93  
30  30  O30  C14  N13  113.37  121.69    327  1.32  -6.29  0.54  
31  30  C15  C16  C17  109.54  106.55     27  1.25   2.39  0.27  
32  30  O24  C19  C20  118.70  115.16   9661  1.76   2.01  0.01  
33  30  C15  N23  C22  111.83  103.90     29  2.05   3.86  2.45  
34  30  C25  O24  C19  121.21  117.53  10000  1.51   2.44  0.01  
35  30  O36  C34  C2   121.73  111.77     24  0.81  12.29  8.51  
36  30  O36  C34  O35  116.56  123.93   9151  1.75  -4.21  0.11  
37  30  C37  O36  C34  109.06  115.94   9151  1.69  -4.08  0.01  
38  45  O32  C3   C2   128.92  122.20     24  1.34   5.00  4.78  
39  45  O32  C3   C4   123.96  130.66    141  2.31  -2.90  0.24  
40  45  C4   C5   N1   114.11  110.31     20  1.71   2.22  0.48  
41  45  C7   C8   C9   118.96  122.40     26  0.85  -4.04  1.50  
42  45  C4   C9   C11  128.80  131.79    138  1.49  -2.00  0.07  
43  45  C10  C11  C12  107.65  111.72     28  1.92  -2.12  1.76  
44  45  C11  C12  N13  108.13  104.27     26  1.20   3.21  1.56  
45  45  C12  N13  C8   102.07  109.21     21  1.15  -6.19  5.05  
46  45  C15  C14  N13  127.55  118.39     25  1.24   7.36  7.37  
47  45  O30  C14  N13  113.33  121.69    327  1.32  -6.32  0.58  
48  45  C15  C16  C17  109.17  106.55     27  1.25   2.10  0.09  
49  45  O24  C19  C18  121.26  125.24    975  1.29  -3.08  0.21  
50  45  O24  C19  C20  120.12  115.16   9661  1.76   2.82  0.00  
51  45  C15  N23  C22  111.25  103.90     29  2.05   3.58  1.87  
52  45  O36  C34  C2   120.75  111.77     24  0.81  11.09  7.53  
53  45  O36  C34  O35  115.39  123.93   9151  1.75  -4.88  0.08  
54  45  C37  O36  C34  109.27  115.94   9151  1.69  -3.96  0.01  
55  60  O32  C3   C2   127.76  122.20     24  1.34   4.14  3.62  
56  60  O32  C3   C4   124.72  130.66    141  2.31  -2.57  0.39  
57  60  C4   C5   N1   114.35  110.31     20  1.71   2.36  0.24  
58  60  C7   C6   C5   121.60  119.84     34  0.86   2.06  0.44  
59  60  O31  C6   C5   127.70  118.22     44  2.99   3.17  3.17  
60  60  O31  C6   C7   110.70  119.46  10000  2.68  -3.27  0.02  
61  60  C7   C8   C9   118.85  122.40     26  0.85  -4.17  1.61  
62  60  C4   C9   C11  127.02  131.79    138  1.49  -3.20  0.84  
63  60  C11  C12  N13  109.61  104.27     26  1.20   4.43  3.04  
64  60  C12  N13  C8   101.69  109.21     21  1.15  -6.52  5.44  
65  60  C15  C14  N13  127.88  118.39     25  1.24   7.63  7.70  
66  60  O30  C14  N13  114.07  121.69    327  1.32  -5.76  0.17  
67  60  C15  C16  C17  109.35  106.55     27  1.25   2.24  0.09  
68  60  C18  C19  C20  117.94  120.15    117  1.09  -2.03  0.24  
69  60  O24  C19  C20  119.16  115.16   9661  1.76   2.28  0.00  
70  60  C15  N23  C22  111.85  103.90     29  2.05   3.87  2.47  
71  60  O36  C34  C2   120.85  111.77     24  0.81  11.20  7.63  
72  60  O36  C34  O35  112.98  123.93   9151  1.75  -6.25  0.09  
73  60  C37  O36  C34  106.12  115.94   9151  1.69  -5.82  0.09  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
 1  15  N1   C2   C34  O35    49.57   55.67     59  27.69  15.16  0.00  
 2  15  N1   C2   C34  O36  -129.82   55.85     59  26.20  16.69  0.00  
 3  15  C3   C2   C34  O35   -70.27   54.49     40  20.67  16.82  0.00  
 4  15  C3   C2   C34  O36   110.33   55.57     40  18.77  20.49  0.00  
 5  15  C15  C14  N13  C8   -152.70   45.19     84  48.04   4.44  3.57  
 6  15  O30  C14  N13  C8     27.94   43.58     42  46.22   3.31  4.76  
 7  15  O30  C14  N13  C12  -178.96  121.98     86  67.80   2.67  4.65  
 8  15  C18  C19  O24  C25   -30.34   23.59  10000   9.17   0.02  3.74  
 9  15  C20  C19  O24  C25   150.25   23.98  10000  10.05   0.03  2.47  
10  15  C2   C34  O36  C37  -100.09   74.38   1774   2.73  11.58  0.00  
11  15  O35  C34  O36  C37    80.50   75.20   9151   2.30  11.64  0.00  
12  30  N1   C2   C34  O35   177.32  110.96     59  59.87   8.83  1.69  
13  30  N1   C2   C34  O36    -2.05  112.10     59  59.67  12.80  0.00  
14  30  C3   C2   C34  O35    62.87   61.52     40  20.79  24.22  0.00  
15  30  C3   C2   C34  O36  -116.49   61.42     40  18.89  26.65  0.00  
16  30  C33  C2   C34  O35   -59.08   55.45     49  28.04   8.94  2.04  
17  30  C33  C2   C34  O36   121.56   55.62     49  25.65  12.90  0.00  
18  30  C15  C14  N13  C8   -153.95   44.51     84  49.04   3.19  3.57  
19  30  C15  C14  N13  C12    -0.32  117.90     87  66.36   4.24  4.60  
20  30  O30  C14  N13  C12  -179.87  122.89     86  67.80   3.58  4.65  
21  30  C2   C34  O36  C37  -100.66   73.82   1774   2.73  11.02  0.00  
22  30  O35  C34  O36  C37    79.95   74.65   9151   2.30  12.19  0.00  
23  45  C3   C2   C34  O35    49.70   74.04     40  21.61  32.14  0.00  
24  45  C3   C2   C34  O36  -129.40   73.68     40  19.74  36.79  0.00  
25  45  C33  C2   C34  O36   110.60   52.71     49  21.80   1.95  4.08  
26  45  C15  C14  N13  C8   -153.43   44.79     84  48.62   3.71  3.57  
27  45  C18  C19  O24  C25   -31.14   24.35  10000   9.05   0.03  3.30  
28  45  C20  C19  O24  C25   149.43   24.74  10000   9.86   0.03  2.17  
29  45  C2   C34  O36  C37  -105.55   68.93   1774   2.73   6.13  0.06  
30  45  O35  C34  O36  C37    75.28   69.98   9151   2.27  14.26  0.00  
31  60  C3   C2   C34  O35   -24.05   98.41     40  25.14   6.49  2.50  
32  60  C3   C2   C34  O36   156.36   99.30     40  23.73   9.83  2.50  
33  60  C2   C34  O36  C37    95.40   79.07   1774   2.73  16.28  0.00  
34  60  O35  C34  O36  C37   -84.24   78.94   9151   2.32   7.90  0.01  
#
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  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  N  
##
