data_2LG3

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2LG3   
BMRB  17791  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2LG3
_pdbx_vrpt_summary.PDB_deposition_date         2011-07-19
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-04:15:46
_pdbx_vrpt_summary.attempted_validation_steps  mogul,molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3')"  
2  polymer      "DNA (5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3')"  
3  non-polymer  (4S)-nonane-1,4-diol  
#
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   99.94  158937  ?     ?     
2  2  1  100.00   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  2.32  1.66  272  418  
2  1  2  B  B  2.34  1.71  273  420  
#
_pdbx_vrpt_summary_geometry.ordinal                 1
_pdbx_vrpt_summary_geometry.clashscore_full_length  0.00
_pdbx_vrpt_summary_geometry.num_H_reduce            289
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ          545
_pdbx_vrpt_summary_geometry.bonds_RMSZ              1.68
_pdbx_vrpt_summary_geometry.num_angles_RMSZ         838
_pdbx_vrpt_summary_geometry.angles_RMSZ             2.33
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              24.32
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  24.32
#
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_angle_outliers
_pdbx_vrpt_model_instance.count_plane_outliers
 1  1  1  A   1  DG   A   1  .  ?        1     1  
 2  1  1  A   2  DC   A   2  .  ?        2     ?  
 3  1  1  A   3  DT   A   3  .  ?        1     ?  
 4  1  1  A   4  DA   A   4  .  ?        3     ?  
 5  1  1  A   5  DG   A   5  .  ?        1     ?  
 6  1  1  A   6  DC   A   6  .  ?        2     1  
 7  1  1  A   7  DG   A   7  .  ?        3     ?  
 8  1  1  A   8  DA   A   8  .  ?        3     ?  
 9  1  1  A   9  DG   A   9  .  ?        1     ?  
10  1  1  A  10  DT   A  10  .  ?        1     ?  
11  1  1  A  11  DC   A  11  .  ?        2     ?  
12  1  1  A  12  DC   A  12  .  ?        1     ?  
13  1  2  B   1  DG   B  13  .  ?        1     1  
14  1  2  B   2  DG   B  14  .  ?        1     ?  
15  1  2  B   3  DA   B  15  .  ?        3     ?  
16  1  2  B   4  DC   B  16  .  ?        2     ?  
17  1  2  B   5  DT   B  17  .  ?        2     ?  
18  1  2  B   6  DT   B  18  .  ?        3     ?  
19  1  2  B   7  DG   B  19  .  ?        2     ?  
20  1  2  B   8  DC   B  20  .  ?        2     ?  
21  1  2  B   9  DT   B  21  .  ?        1     ?  
22  1  2  B  10  DA   B  22  .  ?        3     ?  
23  1  2  B  11  DG   B  23  .  ?        1     ?  
24  1  2  B  12  DC   B  24  .  ?        1     ?  
25  1  3  C   .  HND  A  25  .  ?        ?     ?  
#
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  22  1.69  35  2.08  molprobity  
 2   2  11  21  1.61  32  2.14  molprobity  
 3   3  12  22  1.63  34  2.23  molprobity  
 4   4  11  24  1.65  37  2.80  molprobity  
 5   5  11  25  1.66  39  2.17  molprobity  
 6   6  11  21  1.68  32  2.18  molprobity  
 7   7   9  25  1.55  39  2.74  molprobity  
 8   8  11  24  1.62  37  2.64  molprobity  
 9   9  11  25  1.66  39  2.00  molprobity  
10  10  12  22  1.72  34  2.18  molprobity  
11  11  11  21  1.77  32  2.29  molprobity  
12  12  12  20  1.69  28  2.15  molprobity  
13  13  12  22  1.65  35  1.96  molprobity  
14  14  11  25  1.62  39  2.10  molprobity  
15  15  11  24  1.64  37  2.70  molprobity  
16  16  11  21  1.73  32  2.27  molprobity  
17  17  12  22  1.82  34  2.35  molprobity  
18  18  12  22  1.82  34  2.85  molprobity  
19  19  11  25  1.69  39  2.37  molprobity  
20  20  11  21  1.76  32  2.17  molprobity  
21  21  12  22  1.76  34  2.28  molprobity  
22  22  11  24  1.64  37  2.67  molprobity  
23  23  11  25  1.70  39  2.17  molprobity  
24  24  12  20  1.67  28  1.94  molprobity  
25  25  18  10  0.64  10  0.74  mogul       
#
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   1  sidechain  0.07  
2   6  sidechain  0.07  
3  13  sidechain  0.07  
#
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
 1   1  N1     C6     O6     116.561  119.900  0.600  -5.57  
 2   2  N1     C2     O2     121.941  118.900  0.600   5.07  
 3   2  N3     C2     O2     117.555  121.900  0.700  -6.21  
 4   3  C6     C5     C7     119.413  122.900  0.600  -5.81  
 5   4  C4     C5     C6     113.400  117.000  0.500  -7.20  
 6   4  C5     C6     N1     121.466  117.700  0.500   7.53  
 7   4  N1     C6     N6     113.571  118.600  0.600  -8.38  
 8   5  N1     C6     O6     116.860  119.900  0.600  -5.07  
 9   6  N1     C2     O2     122.394  118.900  0.600   5.82  
10   6  N3     C2     O2     117.247  121.900  0.700  -6.65  
11   7  C5     C6     N1     114.049  111.500  0.500   5.10  
12   7  C6     N1     C2     121.662  125.100  0.600  -5.73  
13   7  N3     C2     N2     113.705  119.900  0.700  -8.85  
14   8  C4     C5     C6     113.698  117.000  0.500  -6.61  
15   8  C5     C6     N1     121.330  117.700  0.500   7.26  
16   8  N1     C6     N6     113.523  118.600  0.600  -8.46  
17   9  N1     C6     O6     116.813  119.900  0.600  -5.14  
18  10  N3     C2     O2     119.209  122.300  0.600  -5.15  
19  11  N1     C2     O2     122.355  118.900  0.600   5.76  
20  11  N3     C2     O2     117.038  121.900  0.700  -6.95  
21  12  N3     C2     O2     117.555  121.900  0.700  -6.21  
22  13  N1     C6     O6     116.868  119.900  0.600  -5.05  
23  14  N1     C6     O6     116.653  119.900  0.600  -5.41  
24  15  C4     C5     C6     113.416  117.000  0.500  -7.17  
25  15  C5     C6     N1     121.282  117.700  0.500   7.16  
26  15  N1     C6     N6     113.692  118.600  0.600  -8.18  
27  16  N1     C2     O2     122.408  118.900  0.600   5.85  
28  16  N3     C2     O2     117.199  121.900  0.700  -6.72  
29  17  C6     C5     C7     119.225  122.900  0.600  -6.12  
30  17  N3     C2     O2     119.174  122.300  0.600  -5.21  
31  18  C6     C5     C7     118.622  122.900  0.600  -7.13  
32  18  N3     C2     O2     118.458  122.300  0.600  -6.40  
33  18  "O4'"  "C4'"  "C3'"  109.728  106.000  0.600   6.21  
34  19  N1     C6     O6     116.747  119.900  0.600  -5.25  
35  19  "O4'"  "C4'"  "C3'"  110.558  106.000  0.600   7.60  
36  20  N1     C2     O2     122.099  118.900  0.600   5.33  
37  20  N3     C2     O2     117.429  121.900  0.700  -6.39  
38  21  C6     C5     C7     119.161  122.900  0.600  -6.23  
39  22  C4     C5     C6     113.753  117.000  0.500  -6.49  
40  22  C5     C6     N1     121.718  117.700  0.500   8.04  
41  22  N1     C6     N6     113.847  118.600  0.600  -7.92  
42  23  N1     C6     O6     116.233  119.900  0.600  -6.11  
43  24  N3     C2     O2     118.010  121.900  0.700  -5.56  
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           6
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        assigned_chem_shift_list_1
_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           140
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           140
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            140
_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  116  361  477  overall  Total  
 2   83  205  288  sugar    Total  
 3   33  156  189  base     Total  
 4  116  170  286  overall  H      
 5   83   85  168  sugar    H      
 6   33   85  118  base     H      
 7    0  160  160  overall  C      
 8    0  120  120  sugar    C      
 9    0   40   40  base     C      
10    0   31   31  overall  N      
11    0   31   31  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  116  361  477  overall  Total  
 2   83  205  288  sugar    Total  
 3   33  156  189  base     Total  
 4  116  170  286  overall  H      
 5   83   85  168  sugar    H      
 6   33   85  118  base     H      
 7    0  160  160  overall  C      
 8    0  120  120  sugar    C      
 9    0   40   40  base     C      
10    0   31   31  overall  N      
11    0   31   31  base     N      
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    212  
 2  "Intra-residue (|i-j|=0)"                      118  
 3  "Sequential (|i-j|=1)"                          78  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             0  
 5  "Long range (|i-j|>=5)"                          8  
 6  Inter-chain                                      8  
 7  "Total hydrogen bond restraints"                 0  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"                0  
10  "Number of unmapped restraints"                  0  
11  "Number of restraints per residue"             8.8  
12  "Number of long range restraints per residue"  0.3  
#
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                 118   55.7   71  33.5  60.2   71  33.5  60.2  
 2  Intra-residue  BackboneBackbone      0    0.0    0   0.0   0.0    0   0.0   0.0  
 3  Intra-residue  BackboneSidechain     0    0.0    0   0.0   0.0    0   0.0   0.0  
 4  Intra-residue  SidechainSidechain  118   55.7   71  33.5  60.2   71  33.5  60.2  
 5  Sequential     all                  78   36.8   35  16.5  44.9   35  16.5  44.9  
 6  Sequential     BackboneBackbone      0    0.0    0   0.0   0.0    0   0.0   0.0  
 7  Sequential     BackboneSidechain     0    0.0    0   0.0   0.0    0   0.0   0.0  
 8  Sequential     SidechainSidechain   78   36.8   35  16.5  44.9   35  16.5  44.9  
 9  MediumRange    all                   0    0.0    0   0.0   0.0    0   0.0   0.0  
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    0    0.0    0   0.0   0.0    0   0.0   0.0  
13  LongRange      all                   8    3.8    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    8    3.8    0   0.0   0.0    0   0.0   0.0  
17  InterChain     all                   8    3.8    3   1.4  37.5    3   1.4  37.5  
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    8    3.8    3   1.4  37.5    3   1.4  37.5  
21  HydrogenBond   all                   0    0.0    0   0.0   0.0    0   0.0   0.0  
22  DisulfideBond  all                   0    0.0    0   0.0   0.0    0   0.0   0.0  
23  Total          all                 212  100.0  109  51.4  51.4  109  51.4  51.4  
24  Total          BackboneBackbone      0    0.0    0   0.0   0.0    0   0.0   0.0  
25  Total          BackboneSidechain     0    0.0    0   0.0   0.0    0   0.0   0.0  
26  Total          SidechainSidechain  212  100.0  109  51.4  51.4  109  51.4  51.4  
#
_pdbx_vrpt_distance_violation_model_summary.ordinal             1
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num       1
_pdbx_vrpt_distance_violation_model_summary.max_violation       2.37
_pdbx_vrpt_distance_violation_model_summary.mean_violation      0.66
_pdbx_vrpt_distance_violation_model_summary.median_violation    0.57
_pdbx_vrpt_distance_violation_model_summary.standard_deviation  0.47
#
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   71  
2  1  sequential     35  
3  1  medium          0  
4  1  long            0  
5  1  interchain      3  
6  1  total         109  
#
_pdbx_vrpt_distance_violations_ensemble_summary.id                            1
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count    1
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent  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   71  
2  1  sequential     35  
3  1  medium          0  
4  1  long            0  
5  1  interchain      3  
6  1  total         109  
#
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  17.0  
2  0.2-0.5  0.5  32.0  
3  >0.5     2.4  60.0  
#
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  190  1  25  19  H2      "H1'"  2.37  
  2   71  1   4   4  "H3'"   H8     1.88  
  3   19  1   3   2  H6      "H1'"  1.84  
  4   81  1   6   5  H5      H8     1.82  
  5  156  1  18  17  H71     "H1'"  1.70  
  6  156  1  18  17  H72     "H1'"  1.70  
  7  156  1  18  17  H73     "H1'"  1.70  
  8   67  1   4   3  H8      "H1'"  1.69  
  9  165  1  20  19  H6      H8     1.65  
 10  170  1  20  19  H5      "H2'"  1.46  
 11  142  1  17  17  "H3'"   "H1'"  1.41  
 12    1  1   1   1  H8      "H1'"  1.41  
 13   79  1   6   6  H6      "H1'"  1.40  
 14  208  1  25  25  H6      H4     1.39  
 15  208  1  25  25  H6A     H4     1.39  
 16  152  1  18  17  H6      "H2'"  1.31  
 17  152  1  18  17  H6      "H2'"  1.31  
 18  175  1  21  21  H6      "H1'"  1.29  
 19  132  1  16  16  H6      "H1'"  1.25  
 20  164  1  20  19  H6      "H1'"  1.23  
 21    2  1   1   1  "H3'"   "H1'"  1.15  
 22  118  1  10  10  H71     H6     1.09  
 23  118  1  10  10  H72     H6     1.09  
 24  118  1  10  10  H73     H6     1.09  
 25  121  1  11  10  H5      H6     1.07  
 26  181  1  21  21  "H2'"   "H1'"  1.02  
 27  103  1   8   8  "H2'"   H8     0.99  
 28  103  1   8   8  "H2'"   H8     0.99  
 29   27  1  11  11  "H2'"   "H1'"  0.96  
 30  172  1  20  20  "H2'"   H5     0.95  
 31  138  1  17  16  H71     "H1'"  0.95  
 32  138  1  17  16  H72     "H1'"  0.95  
 33  138  1  17  16  H73     "H1'"  0.95  
 34  108  1   9   8  H8      "H2'"  0.94  
 35  179  1  21  21  "H3'"   H6     0.93  
 36   15  1   2   2  "H3'"   H6     0.93  
 37  166  1  20  19  H6      "H2'"  0.91  
 38   80  1   6   5  H5      "H1'"  0.90  
 39  143  1  17  17  "H2'"   "H1'"  0.90  
 40  134  1  16  16  "H2'"   "H1'"  0.88  
 41   24  1   3   2  H71     "H2'"  0.83  
 42   24  1   3   2  H72     "H2'"  0.83  
 43   24  1   3   2  H73     "H2'"  0.83  
 44  125  1  14  14  H8      "H1'"  0.83  
 45  176  1  21  20  H71     H5     0.80  
 46  176  1  21  20  H72     H5     0.80  
 47  176  1  21  20  H73     H5     0.80  
 48  141  1  17  17  H71     H6     0.78  
 49  141  1  17  17  H72     H6     0.78  
 50  141  1  17  17  H73     H6     0.78  
 51   46  1  14  14  "H3'"   H8     0.77  
 52  173  1  20  20  "H2'"   "H1'"  0.75  
 53  133  1  16  15  H5      "H2'"  0.75  
 54  133  1  16  15  H5      "H2'"  0.75  
 55  189  1  25  17  H2      "H1'"  0.72  
 56   72  1   5   5  H8      "H1'"  0.70  
 57  183  1  22  21  H8      "H3'"  0.70  
 58    2  2  11  11  "H2'"   "H1'"  0.67  
 59   12  1   2   1  H5      "H1'"  0.67  
 60   65  1  24  24  "H2'"   "H1'"  0.65  
 61   66  1  24  24  "H2'"   "H3'"  0.64  
 62   86  1   6   6  "H2'"   "H1'"  0.63  
 63   37  1  12  12  "H2'"   H6     0.62  
 64   37  1  12  12  "H2''"  H6     0.62  
 65  117  1  10   9  H71     "H2'"  0.62  
 66  117  1  10   9  H72     "H2'"  0.62  
 67  117  1  10   9  H73     "H2'"  0.62  
 68  117  1  10   9  H71     "H2'"  0.62  
 69  117  1  10   9  H72     "H2'"  0.62  
 70  117  1  10   9  H73     "H2'"  0.62  
 71   56  1  23  23  "H3'"   "H1'"  0.60  
 72  155  1  18  18  H6      "H2'"  0.59  
 73  155  1  18  18  H6      "H2'"  0.59  
 74  139  1  17  16  H71     H6     0.59  
 75  139  1  17  16  H72     H6     0.59  
 76  139  1  17  16  H73     H6     0.59  
 77  111  1   9   9  "H2'"   "H1'"  0.59  
 78  111  1   9   9  "H2'"   "H1'"  0.59  
 79  159  1  18  18  H71     H6     0.58  
 80  159  1  18  18  H72     H6     0.58  
 81  159  1  18  18  H73     H6     0.58  
 82   39  1  13  13  H8      "H1'"  0.57  
 83  206  1  25  17  H6      "H1'"  0.57  
 84  206  1  25  17  H6A     "H1'"  0.57  
 85   43  1  13  13  "H2'"   "H1'"  0.55  
 86   16  1   2   2  "H2'"   H6     0.54  
 87   95  1   7   7  "H2'"   "H1'"  0.53  
 88   63  1  24  24  "H2'"   "H1'"  0.52  
 89  151  1  18  17  H6      "H3'"  0.52  
 90   73  1   5   5  "H3'"   "H1'"  0.49  
 91  153  1  18  18  H6      "H1'"  0.48  
 92  158  1  18  17  H71     "H3'"  0.47  
 93  158  1  18  17  H72     "H3'"  0.47  
 94  158  1  18  17  H73     "H3'"  0.47  
 95   22  1   3   2  H71     H5     0.46  
 96   22  1   3   2  H72     H5     0.46  
 97   22  1   3   2  H73     H5     0.46  
 98   20  1   3   2  H71     "H1'"  0.46  
 99   20  1   3   2  H72     "H1'"  0.46  
100   20  1   3   2  H73     "H1'"  0.46  
101    5  1   1   1  "H2'"   "H1'"  0.45  
102  110  1   9   9  "H3'"   "H1'"  0.41  
103   90  1   7   7  H8      "H1'"  0.40  
104  201  1  25  25  H5A     H3     0.40  
105   29  1  12  11  H6      "H1'"  0.38  
106  145  1  17  17  "H2'"   "H1'"  0.38  
107   78  1   6   5  H6      "H2'"  0.37  
108    3  1   1   1  "H2'"   "H1'"  0.37  
109   38  1  12  12  "H2'"   "H3'"  0.36  
110   38  1  12  12  "H2''"  "H3'"  0.36  
111   83  1   6   6  "H2'"   "H1'"  0.35  
112  147  1  17  17  "H2'"   "H3'"  0.34  
113  104  1   9   8  "H1'"   H2     0.33  
114   76  1   5   5  "H2'"   "H3'"  0.31  
115    3  2  14  14  "H2'"   H8     0.30  
116   53  1  15  15  "H2'"   "H1'"  0.29  
117   53  1  15  15  "H2'"   "H1'"  0.29  
118   96  1   8   7  H8      "H1'"  0.27  
119   82  1   6   5  H5      "H2'"  0.27  
120   31  1  12  12  H6      "H1'"  0.26  
121  167  1  20  20  H6      "H1'"  0.26  
122  149  1  18  18  "H2'"   "H1'"  0.26  
123  149  1  18  18  "H2'"   "H1'"  0.26  
124   26  1   3   3  "H2'"   "H1'"  0.25  
125   26  1   3   3  "H2'"   "H1'"  0.25  
126  207  1  25  25  H6      H3     0.24  
127  207  1  25  25  H6A     H3     0.24  
128  127  1  14  14  "H2'"   "H1'"  0.24  
129  127  1  14  14  "H2'"   "H1'"  0.24  
130   75  1   5   5  "H2'"   H8     0.23  
131    7  1   1   1  "H2'"   "H3'"  0.23  
132   28  1  11  11  "H2'"   "H3'"  0.23  
133  191  1  25  25  H2      H1     0.21  
134    1  2   1   1  "H2'"   H8     0.19  
135    8  1   2   1  H6      "H1'"  0.19  
136  199  1  25  25  H4      H2     0.18  
137  199  1  25  25  H4      H2A    0.18  
138   99  1   8   7  H8      "H2'"  0.16  
139   99  1   8   7  H8      "H2'"  0.16  
140   57  1  24  24  H6      "H1'"  0.16  
141   33  1  12  12  "H3'"   "H1'"  0.16  
142  195  1  25  25  H3      H1     0.16  
143  162  1  19  19  "H3'"   H8     0.16  
144  131  1  16  15  H6      "H2'"  0.16  
145  131  1  16  15  H6      "H2'"  0.16  
146  129  1  16  15  "H1'"   H2     0.16  
147   94  1   7   7  "H2'"   "H3'"  0.14  
148   92  1   7   7  "H2'"   "H1'"  0.14  
149  163  1  19  19  "H2'"   "H3'"  0.14  
150  140  1  17  16  H71     H5     0.14  
151  140  1  17  16  H72     H5     0.14  
152  140  1  17  16  H73     H5     0.14  
153   91  1   7   7  "H3'"   H8     0.13  
154   74  1   5   5  "H2'"   "H1'"  0.12  
155   97  1   8   7  H8      H8     0.11  
#
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  chemicalshiftanalysis  2.33                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             N  
6  restraintsanalysis     v1.2                                                                  Y  
7  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  N  
##
