data_6J2W

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   6J2W   
BMRB  36229  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    6J2W
_pdbx_vrpt_summary.PDB_deposition_date         2019-01-03
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-05:04:12
_pdbx_vrpt_summary.attempted_validation_steps  mogul,buster-report,molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,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*GP*GP*GP*GP*CP*GP*AP*AP*GP*CP*GP*GP*GP*TP*CP*CP*CP*G)-3')"  
2  non-polymer  N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
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  67.38  158937  ?     ?     
2  2  1  70.23   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  0.80  0.25  442  682  
 2   2  1  A  A  0.80  0.24  442  682  
 3   3  1  A  A  0.81  0.26  442  682  
 4   4  1  A  A  0.81  0.24  442  682  
 5   5  1  A  A  0.81  0.25  442  682  
 6   6  1  A  A  0.80  0.24  442  682  
 7   7  1  A  A  0.81  0.24  442  682  
 8   8  1  A  A  0.80  0.24  442  682  
 9   9  1  A  A  0.81  0.24  442  682  
10  10  1  A  A  0.80  0.25  442  682  
#
_pdbx_vrpt_summary_geometry.ordinal                 1
_pdbx_vrpt_summary_geometry.clashscore              3.95
_pdbx_vrpt_summary_geometry.clashscore_full_length  3.95
_pdbx_vrpt_summary_geometry.num_H_reduce            2120
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ          4420
_pdbx_vrpt_summary_geometry.bonds_RMSZ              0.24
_pdbx_vrpt_summary_geometry.num_angles_RMSZ         6820
_pdbx_vrpt_summary_geometry.angles_RMSZ             0.80
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              46.91
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  46.91
#
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_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
_pdbx_vrpt_model_instance.ligand_of_interest
  1   1  1  A   1  DC   A    1  .  ?        ?     ?     ?     ?     ?  ?     
  2   1  1  A   2  DG   A    2  .  ?        ?     ?     ?     ?     ?  ?     
  3   1  1  A   3  DG   A    3  .  ?        ?     1     ?     ?     ?  ?     
  4   1  1  A   4  DG   A    4  .  ?        ?     1     ?     ?     ?  ?     
  5   1  1  A   5  DG   A    5  .  ?        1     ?     ?     ?     ?  ?     
  6   1  1  A   6  DC   A    6  .  ?        ?     ?     ?     ?     ?  ?     
  7   1  1  A   7  DG   A    7  .  ?        ?     ?     ?     ?     ?  ?     
  8   1  1  A   8  DA   A    8  .  ?        ?     ?     ?     ?     ?  ?     
  9   1  1  A   9  DA   A    9  .  ?        ?     ?     ?     ?     ?  ?     
 10   1  1  A  10  DG   A   10  .  ?        ?     ?     ?     ?     ?  ?     
 11   1  1  A  11  DC   A   11  .  ?        ?     ?     ?     ?     ?  ?     
 12   1  1  A  12  DG   A   12  .  ?        ?     ?     ?     ?     ?  ?     
 13   1  1  A  13  DG   A   13  .  ?        ?     ?     ?     ?     ?  ?     
 14   1  1  A  14  DG   A   14  .  ?        ?     ?     ?     ?     ?  ?     
 15   1  1  A  15  DT   A   15  .  ?        ?     ?     ?     ?     ?  ?     
 16   1  1  A  16  DC   A   16  .  ?        1     1     ?     ?     ?  ?     
 17   1  1  A  17  DC   A   17  .  ?        ?     1     ?     ?     ?  ?     
 18   1  1  A  18  DC   A   18  .  ?        ?     ?     ?     ?     ?  ?     
 19   1  1  A  19  DG   A   19  .  ?        ?     ?     ?     ?     ?  ?     
 20   1  2  B   .  B2U  A  101  .  ?        ?     ?     4     7     2  Y     
 21   2  1  A   1  DC   A    1  .  ?        ?     ?     ?     ?     ?  ?     
 22   2  1  A   2  DG   A    2  .  ?        ?     ?     ?     ?     ?  ?     
 23   2  1  A   3  DG   A    3  .  ?        ?     1     ?     ?     ?  ?     
 24   2  1  A   4  DG   A    4  .  ?        ?     1     ?     ?     ?  ?     
 25   2  1  A   5  DG   A    5  .  ?        1     ?     ?     ?     ?  ?     
 26   2  1  A   6  DC   A    6  .  ?        ?     ?     ?     ?     ?  ?     
 27   2  1  A   7  DG   A    7  .  ?        ?     ?     ?     ?     ?  ?     
 28   2  1  A   8  DA   A    8  .  ?        ?     ?     ?     ?     ?  ?     
 29   2  1  A   9  DA   A    9  .  ?        ?     ?     ?     ?     ?  ?     
 30   2  1  A  10  DG   A   10  .  ?        ?     ?     ?     ?     ?  ?     
 31   2  1  A  11  DC   A   11  .  ?        ?     1     ?     ?     ?  ?     
 32   2  1  A  12  DG   A   12  .  ?        ?     1     ?     ?     ?  ?     
 33   2  1  A  13  DG   A   13  .  ?        ?     ?     ?     ?     ?  ?     
 34   2  1  A  14  DG   A   14  .  ?        ?     ?     ?     ?     ?  ?     
 35   2  1  A  15  DT   A   15  .  ?        ?     ?     ?     ?     ?  ?     
 36   2  1  A  16  DC   A   16  .  ?        1     1     ?     ?     ?  ?     
 37   2  1  A  17  DC   A   17  .  ?        ?     1     ?     ?     ?  ?     
 38   2  1  A  18  DC   A   18  .  ?        ?     ?     ?     ?     ?  ?     
 39   2  1  A  19  DG   A   19  .  ?        ?     ?     ?     ?     ?  ?     
 40   2  2  B   .  B2U  A  101  .  ?        ?     ?     5     7     8  ?     
 41   3  1  A   1  DC   A    1  .  ?        ?     ?     ?     ?     ?  ?     
 42   3  1  A   2  DG   A    2  .  ?        ?     ?     ?     ?     ?  ?     
 43   3  1  A   3  DG   A    3  .  ?        ?     1     ?     ?     ?  ?     
 44   3  1  A   4  DG   A    4  .  ?        ?     1     ?     ?     ?  ?     
 45   3  1  A   5  DG   A    5  .  ?        1     ?     ?     ?     ?  ?     
 46   3  1  A   6  DC   A    6  .  ?        ?     ?     ?     ?     ?  ?     
 47   3  1  A   7  DG   A    7  .  ?        ?     ?     ?     ?     ?  ?     
 48   3  1  A   8  DA   A    8  .  ?        ?     ?     ?     ?     ?  ?     
 49   3  1  A   9  DA   A    9  .  ?        ?     ?     ?     ?     ?  ?     
 50   3  1  A  10  DG   A   10  .  ?        ?     ?     ?     ?     ?  ?     
 51   3  1  A  11  DC   A   11  .  ?        ?     1     ?     ?     ?  ?     
 52   3  1  A  12  DG   A   12  .  ?        ?     1     ?     ?     ?  ?     
 53   3  1  A  13  DG   A   13  .  ?        ?     ?     ?     ?     ?  ?     
 54   3  1  A  14  DG   A   14  .  ?        ?     ?     ?     ?     ?  ?     
 55   3  1  A  15  DT   A   15  .  ?        ?     ?     ?     ?     ?  ?     
 56   3  1  A  16  DC   A   16  .  ?        1     1     ?     ?     ?  ?     
 57   3  1  A  17  DC   A   17  .  ?        ?     1     ?     ?     ?  ?     
 58   3  1  A  18  DC   A   18  .  ?        ?     ?     ?     ?     ?  ?     
 59   3  1  A  19  DG   A   19  .  ?        ?     ?     ?     ?     ?  ?     
 60   3  2  B   .  B2U  A  101  .  ?        ?     ?     4     7     5  ?     
 61   4  1  A   1  DC   A    1  .  ?        ?     ?     ?     ?     ?  ?     
 62   4  1  A   2  DG   A    2  .  ?        ?     ?     ?     ?     ?  ?     
 63   4  1  A   3  DG   A    3  .  ?        ?     ?     ?     ?     ?  ?     
 64   4  1  A   4  DG   A    4  .  ?        ?     ?     ?     ?     ?  ?     
 65   4  1  A   5  DG   A    5  .  ?        1     ?     ?     ?     ?  ?     
 66   4  1  A   6  DC   A    6  .  ?        ?     ?     ?     ?     ?  ?     
 67   4  1  A   7  DG   A    7  .  ?        ?     ?     ?     ?     ?  ?     
 68   4  1  A   8  DA   A    8  .  ?        ?     ?     ?     ?     ?  ?     
 69   4  1  A   9  DA   A    9  .  ?        ?     ?     ?     ?     ?  ?     
 70   4  1  A  10  DG   A   10  .  ?        ?     ?     ?     ?     ?  ?     
 71   4  1  A  11  DC   A   11  .  ?        ?     1     ?     ?     ?  ?     
 72   4  1  A  12  DG   A   12  .  ?        ?     1     ?     ?     ?  ?     
 73   4  1  A  13  DG   A   13  .  ?        ?     ?     ?     ?     ?  ?     
 74   4  1  A  14  DG   A   14  .  ?        ?     ?     ?     ?     ?  ?     
 75   4  1  A  15  DT   A   15  .  ?        ?     ?     ?     ?     ?  ?     
 76   4  1  A  16  DC   A   16  .  ?        1     1     ?     ?     ?  ?     
 77   4  1  A  17  DC   A   17  .  ?        ?     1     ?     ?     ?  ?     
 78   4  1  A  18  DC   A   18  .  ?        ?     ?     ?     ?     ?  ?     
 79   4  1  A  19  DG   A   19  .  ?        ?     ?     ?     ?     ?  ?     
 80   4  2  B   .  B2U  A  101  .  ?        ?     ?     5     7     2  ?     
 81   5  1  A   1  DC   A    1  .  ?        ?     ?     ?     ?     ?  ?     
 82   5  1  A   2  DG   A    2  .  ?        ?     ?     ?     ?     ?  ?     
 83   5  1  A   3  DG   A    3  .  ?        ?     1     ?     ?     ?  ?     
 84   5  1  A   4  DG   A    4  .  ?        ?     1     ?     ?     ?  ?     
 85   5  1  A   5  DG   A    5  .  ?        1     ?     ?     ?     ?  ?     
 86   5  1  A   6  DC   A    6  .  ?        ?     ?     ?     ?     ?  ?     
 87   5  1  A   7  DG   A    7  .  ?        ?     ?     ?     ?     ?  ?     
 88   5  1  A   8  DA   A    8  .  ?        ?     ?     ?     ?     ?  ?     
 89   5  1  A   9  DA   A    9  .  ?        ?     ?     ?     ?     ?  ?     
 90   5  1  A  10  DG   A   10  .  ?        ?     ?     ?     ?     ?  ?     
 91   5  1  A  11  DC   A   11  .  ?        ?     1     ?     ?     ?  ?     
 92   5  1  A  12  DG   A   12  .  ?        ?     1     ?     ?     ?  ?     
 93   5  1  A  13  DG   A   13  .  ?        ?     ?     ?     ?     ?  ?     
 94   5  1  A  14  DG   A   14  .  ?        ?     ?     ?     ?     ?  ?     
 95   5  1  A  15  DT   A   15  .  ?        ?     ?     ?     ?     ?  ?     
 96   5  1  A  16  DC   A   16  .  ?        1     1     ?     ?     ?  ?     
 97   5  1  A  17  DC   A   17  .  ?        ?     1     ?     ?     ?  ?     
 98   5  1  A  18  DC   A   18  .  ?        ?     ?     ?     ?     ?  ?     
 99   5  1  A  19  DG   A   19  .  ?        ?     ?     ?     ?     ?  ?     
100   5  2  B   .  B2U  A  101  .  ?        ?     ?     5     7     2  ?     
101   6  1  A   1  DC   A    1  .  ?        ?     ?     ?     ?     ?  ?     
102   6  1  A   2  DG   A    2  .  ?        ?     ?     ?     ?     ?  ?     
103   6  1  A   3  DG   A    3  .  ?        ?     1     ?     ?     ?  ?     
104   6  1  A   4  DG   A    4  .  ?        ?     1     ?     ?     ?  ?     
105   6  1  A   5  DG   A    5  .  ?        ?     ?     ?     ?     ?  ?     
106   6  1  A   6  DC   A    6  .  ?        ?     ?     ?     ?     ?  ?     
107   6  1  A   7  DG   A    7  .  ?        ?     ?     ?     ?     ?  ?     
108   6  1  A   8  DA   A    8  .  ?        ?     ?     ?     ?     ?  ?     
109   6  1  A   9  DA   A    9  .  ?        ?     ?     ?     ?     ?  ?     
110   6  1  A  10  DG   A   10  .  ?        ?     ?     ?     ?     ?  ?     
111   6  1  A  11  DC   A   11  .  ?        ?     ?     ?     ?     ?  ?     
112   6  1  A  12  DG   A   12  .  ?        ?     ?     ?     ?     ?  ?     
113   6  1  A  13  DG   A   13  .  ?        ?     ?     ?     ?     ?  ?     
114   6  1  A  14  DG   A   14  .  ?        ?     ?     ?     ?     ?  ?     
115   6  1  A  15  DT   A   15  .  ?        ?     ?     ?     ?     ?  ?     
116   6  1  A  16  DC   A   16  .  ?        1     1     ?     ?     ?  ?     
117   6  1  A  17  DC   A   17  .  ?        ?     1     ?     ?     ?  ?     
118   6  1  A  18  DC   A   18  .  ?        ?     ?     ?     ?     ?  ?     
119   6  1  A  19  DG   A   19  .  ?        ?     ?     ?     ?     ?  ?     
120   6  2  B   .  B2U  A  101  .  ?        ?     ?     4     7     9  ?     
121   7  1  A   1  DC   A    1  .  ?        ?     ?     ?     ?     ?  ?     
122   7  1  A   2  DG   A    2  .  ?        ?     ?     ?     ?     ?  ?     
123   7  1  A   3  DG   A    3  .  ?        ?     1     ?     ?     ?  ?     
124   7  1  A   4  DG   A    4  .  ?        ?     1     ?     ?     ?  ?     
125   7  1  A   5  DG   A    5  .  ?        1     ?     ?     ?     ?  ?     
126   7  1  A   6  DC   A    6  .  ?        ?     ?     ?     ?     ?  ?     
127   7  1  A   7  DG   A    7  .  ?        ?     ?     ?     ?     ?  ?     
128   7  1  A   8  DA   A    8  .  ?        ?     ?     ?     ?     ?  ?     
129   7  1  A   9  DA   A    9  .  ?        ?     ?     ?     ?     ?  ?     
130   7  1  A  10  DG   A   10  .  ?        ?     ?     ?     ?     ?  ?     
131   7  1  A  11  DC   A   11  .  ?        ?     1     ?     ?     ?  ?     
132   7  1  A  12  DG   A   12  .  ?        ?     1     ?     ?     ?  ?     
133   7  1  A  13  DG   A   13  .  ?        ?     ?     ?     ?     ?  ?     
134   7  1  A  14  DG   A   14  .  ?        ?     ?     ?     ?     ?  ?     
135   7  1  A  15  DT   A   15  .  ?        ?     ?     ?     ?     ?  ?     
136   7  1  A  16  DC   A   16  .  ?        1     1     ?     ?     ?  ?     
137   7  1  A  17  DC   A   17  .  ?        ?     1     ?     ?     ?  ?     
138   7  1  A  18  DC   A   18  .  ?        ?     ?     ?     ?     ?  ?     
139   7  1  A  19  DG   A   19  .  ?        ?     ?     ?     ?     ?  ?     
140   7  2  B   .  B2U  A  101  .  ?        ?     ?     4     7     7  ?     
141   8  1  A   1  DC   A    1  .  ?        ?     ?     ?     ?     ?  ?     
142   8  1  A   2  DG   A    2  .  ?        ?     ?     ?     ?     ?  ?     
143   8  1  A   3  DG   A    3  .  ?        ?     ?     ?     ?     ?  ?     
144   8  1  A   4  DG   A    4  .  ?        ?     ?     ?     ?     ?  ?     
145   8  1  A   5  DG   A    5  .  ?        1     ?     ?     ?     ?  ?     
146   8  1  A   6  DC   A    6  .  ?        ?     ?     ?     ?     ?  ?     
147   8  1  A   7  DG   A    7  .  ?        ?     ?     ?     ?     ?  ?     
148   8  1  A   8  DA   A    8  .  ?        ?     ?     ?     ?     ?  ?     
149   8  1  A   9  DA   A    9  .  ?        ?     ?     ?     ?     ?  ?     
150   8  1  A  10  DG   A   10  .  ?        ?     ?     ?     ?     ?  ?     
151   8  1  A  11  DC   A   11  .  ?        ?     ?     ?     ?     ?  ?     
152   8  1  A  12  DG   A   12  .  ?        ?     ?     ?     ?     ?  ?     
153   8  1  A  13  DG   A   13  .  ?        ?     ?     ?     ?     ?  ?     
154   8  1  A  14  DG   A   14  .  ?        ?     ?     ?     ?     ?  ?     
155   8  1  A  15  DT   A   15  .  ?        ?     ?     ?     ?     ?  ?     
156   8  1  A  16  DC   A   16  .  ?        1     1     ?     ?     ?  ?     
157   8  1  A  17  DC   A   17  .  ?        ?     1     ?     ?     ?  ?     
158   8  1  A  18  DC   A   18  .  ?        ?     ?     ?     ?     ?  ?     
159   8  1  A  19  DG   A   19  .  ?        ?     ?     ?     ?     ?  ?     
160   8  2  B   .  B2U  A  101  .  ?        ?     ?     4     7     6  ?     
161   9  1  A   1  DC   A    1  .  ?        ?     ?     ?     ?     ?  ?     
162   9  1  A   2  DG   A    2  .  ?        ?     ?     ?     ?     ?  ?     
163   9  1  A   3  DG   A    3  .  ?        ?     1     ?     ?     ?  ?     
164   9  1  A   4  DG   A    4  .  ?        ?     1     ?     ?     ?  ?     
165   9  1  A   5  DG   A    5  .  ?        1     ?     ?     ?     ?  ?     
166   9  1  A   6  DC   A    6  .  ?        ?     ?     ?     ?     ?  ?     
167   9  1  A   7  DG   A    7  .  ?        ?     ?     ?     ?     ?  ?     
168   9  1  A   8  DA   A    8  .  ?        ?     ?     ?     ?     ?  ?     
169   9  1  A   9  DA   A    9  .  ?        ?     ?     ?     ?     ?  ?     
170   9  1  A  10  DG   A   10  .  ?        ?     ?     ?     ?     ?  ?     
171   9  1  A  11  DC   A   11  .  ?        ?     1     ?     ?     ?  ?     
172   9  1  A  12  DG   A   12  .  ?        ?     1     ?     ?     ?  ?     
173   9  1  A  13  DG   A   13  .  ?        ?     ?     ?     ?     ?  ?     
174   9  1  A  14  DG   A   14  .  ?        ?     ?     ?     ?     ?  ?     
175   9  1  A  15  DT   A   15  .  ?        ?     ?     ?     ?     ?  ?     
176   9  1  A  16  DC   A   16  .  ?        1     1     ?     ?     ?  ?     
177   9  1  A  17  DC   A   17  .  ?        ?     1     ?     ?     ?  ?     
178   9  1  A  18  DC   A   18  .  ?        ?     ?     ?     ?     ?  ?     
179   9  1  A  19  DG   A   19  .  ?        ?     ?     ?     ?     ?  ?     
180   9  2  B   .  B2U  A  101  .  ?        ?     ?     4     7    11  ?     
181  10  1  A   1  DC   A    1  .  ?        ?     ?     ?     ?     ?  ?     
182  10  1  A   2  DG   A    2  .  ?        ?     ?     ?     ?     ?  ?     
183  10  1  A   3  DG   A    3  .  ?        ?     1     ?     ?     ?  ?     
184  10  1  A   4  DG   A    4  .  ?        ?     1     ?     ?     ?  ?     
185  10  1  A   5  DG   A    5  .  ?        1     ?     ?     ?     ?  ?     
186  10  1  A   6  DC   A    6  .  ?        ?     ?     ?     ?     ?  ?     
187  10  1  A   7  DG   A    7  .  ?        ?     ?     ?     ?     ?  ?     
188  10  1  A   8  DA   A    8  .  ?        ?     ?     ?     ?     ?  ?     
189  10  1  A   9  DA   A    9  .  ?        ?     ?     ?     ?     ?  ?     
190  10  1  A  10  DG   A   10  .  ?        ?     ?     ?     ?     ?  ?     
191  10  1  A  11  DC   A   11  .  ?        ?     1     ?     ?     ?  ?     
192  10  1  A  12  DG   A   12  .  ?        ?     1     ?     ?     ?  ?     
193  10  1  A  13  DG   A   13  .  ?        ?     ?     ?     ?     ?  ?     
194  10  1  A  14  DG   A   14  .  ?        ?     ?     ?     ?     ?  ?     
195  10  1  A  15  DT   A   15  .  ?        ?     ?     ?     ?     ?  ?     
196  10  1  A  16  DC   A   16  .  ?        1     1     ?     ?     ?  ?     
197  10  1  A  17  DC   A   17  .  ?        ?     1     ?     ?     ?  ?     
198  10  1  A  18  DC   A   18  .  ?        ?     ?     ?     ?     ?  ?     
199  10  1  A  19  DG   A   19  .  ?        ?     ?     ?     ?     ?  ?     
200  10  2  B   .  B2U  A  101  .  ?        ?     ?     4     7     2  ?     
#
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  0.17  28  0.58  molprobity  
  2    2    11  25  0.27  39  0.67  molprobity  
  3    3    11  25  0.22  39  0.66  molprobity  
  4    4    11  25  0.28  39  0.89  molprobity  
  5    5    11  25  0.27  39  1.22  molprobity  
  6    6    11  21  0.21  32  0.69  molprobity  
  7    7    11  25  0.36  39  0.72  molprobity  
  8    8    11  24  0.17  37  0.68  molprobity  
  9    9    11  24  0.17  37  0.73  molprobity  
 10   10    11  25  0.31  39  0.67  molprobity  
 11   11    11  21  0.18  32  0.93  molprobity  
 12   12    11  25  0.24  39  0.69  molprobity  
 13   13    11  25  0.23  39  0.64  molprobity  
 14   14    11  25  0.24  39  0.72  molprobity  
 15   15    12  22  0.33  34  0.93  molprobity  
 16   16    11  21  0.15  32  1.30  molprobity  
 17   17    11  21  0.21  32  0.67  molprobity  
 18   18    11  21  0.24  32  0.74  molprobity  
 19   19    12  24  0.24  35  0.70  molprobity  
 20   20     ?  30  2.07  43  2.07  mogul       
 21   21    12  18  0.17  28  0.50  molprobity  
 22   22    11  25  0.25  39  0.69  molprobity  
 23   23    11  25  0.24  39  0.68  molprobity  
 24   24    11  25  0.27  39  0.89  molprobity  
 25   25    11  25  0.23  39  1.19  molprobity  
 26   26    11  21  0.22  32  0.70  molprobity  
 27   27    11  25  0.36  39  0.73  molprobity  
 28   28    11  24  0.21  37  0.66  molprobity  
 29   29    11  24  0.17  37  0.73  molprobity  
 30   30    11  25  0.25  39  0.67  molprobity  
 31   31    11  21  0.20  32  0.96  molprobity  
 32   32    11  25  0.21  39  0.63  molprobity  
 33   33    11  25  0.22  39  0.65  molprobity  
 34   34    11  25  0.22  39  0.75  molprobity  
 35   35    12  22  0.33  34  0.93  molprobity  
 36   36    11  21  0.15  32  1.36  molprobity  
 37   37    11  21  0.15  32  0.70  molprobity  
 38   38    11  21  0.22  32  0.74  molprobity  
 39   39    12  24  0.25  35  0.69  molprobity  
 40   40     ?  30  2.07  43  2.08  mogul       
 41   41    12  18  0.16  28  0.59  molprobity  
 42   42    11  25  0.24  39  0.69  molprobity  
 43   43    11  25  0.22  39  0.66  molprobity  
 44   44    11  25  0.29  39  0.89  molprobity  
 45   45    11  25  0.24  39  1.21  molprobity  
 46   46    11  21  0.21  32  0.67  molprobity  
 47   47    11  25  0.37  39  0.75  molprobity  
 48   48    11  24  0.24  37  0.67  molprobity  
 49   49    11  24  0.18  37  0.72  molprobity  
 50   50    11  25  0.30  39  0.70  molprobity  
 51   51    11  21  0.26  32  0.93  molprobity  
 52   52    11  25  0.32  39  0.68  molprobity  
 53   53    11  25  0.25  39  0.66  molprobity  
 54   54    11  25  0.24  39  0.74  molprobity  
 55   55    12  22  0.33  34  0.95  molprobity  
 56   56    11  21  0.17  32  1.33  molprobity  
 57   57    11  21  0.16  32  0.69  molprobity  
 58   58    11  21  0.28  32  0.79  molprobity  
 59   59    12  24  0.25  35  0.73  molprobity  
 60   60     ?  30  2.07  43  2.07  mogul       
 61   61    12  18  0.19  28  0.47  molprobity  
 62   62    11  25  0.24  39  0.70  molprobity  
 63   63    11  25  0.23  39  0.67  molprobity  
 64   64    11  25  0.28  39  0.90  molprobity  
 65   65    11  25  0.24  39  1.20  molprobity  
 66   66    11  21  0.21  32  0.69  molprobity  
 67   67    11  25  0.40  39  0.73  molprobity  
 68   68    11  24  0.17  37  0.68  molprobity  
 69   69    11  24  0.18  37  0.76  molprobity  
 70   70    11  25  0.27  39  0.66  molprobity  
 71   71    11  21  0.16  32  0.93  molprobity  
 72   72    11  25  0.23  39  0.65  molprobity  
 73   73    11  25  0.22  39  0.66  molprobity  
 74   74    11  25  0.23  39  0.76  molprobity  
 75   75    12  22  0.31  34  0.94  molprobity  
 76   76    11  21  0.15  32  1.36  molprobity  
 77   77    11  21  0.16  32  0.70  molprobity  
 78   78    11  21  0.21  32  0.71  molprobity  
 79   79    12  24  0.24  35  0.72  molprobity  
 80   80     ?  30  2.08  43  2.08  mogul       
 81   81    12  18  0.17  28  0.51  molprobity  
 82   82    11  25  0.26  39  0.68  molprobity  
 83   83    11  25  0.25  39  0.67  molprobity  
 84   84    11  25  0.25  39  0.83  molprobity  
 85   85    11  25  0.27  39  1.25  molprobity  
 86   86    11  21  0.20  32  0.69  molprobity  
 87   87    11  25  0.38  39  0.74  molprobity  
 88   88    11  24  0.17  37  0.68  molprobity  
 89   89    11  24  0.19  37  0.76  molprobity  
 90   90    11  25  0.26  39  0.67  molprobity  
 91   91    11  21  0.17  32  0.94  molprobity  
 92   92    11  25  0.22  39  0.65  molprobity  
 93   93    11  25  0.23  39  0.63  molprobity  
 94   94    11  25  0.24  39  0.77  molprobity  
 95   95    12  22  0.33  34  0.94  molprobity  
 96   96    11  21  0.20  32  1.31  molprobity  
 97   97    11  21  0.32  32  0.74  molprobity  
 98   98    11  21  0.26  32  0.79  molprobity  
 99   99    12  24  0.26  35  0.66  molprobity  
100  100     ?  30  2.08  43  2.07  mogul       
101  101    12  18  0.22  28  0.46  molprobity  
102  102    11  25  0.26  39  0.69  molprobity  
103  103    11  25  0.23  39  0.67  molprobity  
104  104    11  25  0.25  39  0.82  molprobity  
105  105    11  25  0.25  39  1.16  molprobity  
106  106    11  21  0.22  32  0.70  molprobity  
107  107    11  25  0.37  39  0.74  molprobity  
108  108    11  24  0.22  37  0.69  molprobity  
109  109    11  24  0.18  37  0.74  molprobity  
110  110    11  25  0.28  39  0.68  molprobity  
111  111    11  21  0.16  32  0.94  molprobity  
112  112    11  25  0.21  39  0.64  molprobity  
113  113    11  25  0.24  39  0.65  molprobity  
114  114    11  25  0.24  39  0.77  molprobity  
115  115    12  22  0.35  34  0.93  molprobity  
116  116    11  21  0.15  32  1.38  molprobity  
117  117    11  21  0.18  32  0.69  molprobity  
118  118    11  21  0.20  32  0.73  molprobity  
119  119    12  24  0.24  35  0.70  molprobity  
120  120     ?  30  2.08  43  2.07  mogul       
121  121    12  18  0.18  28  0.68  molprobity  
122  122    11  25  0.27  39  0.71  molprobity  
123  123    11  25  0.24  39  0.66  molprobity  
124  124    11  25  0.25  39  0.84  molprobity  
125  125    11  25  0.26  39  1.19  molprobity  
126  126    11  21  0.20  32  0.70  molprobity  
127  127    11  25  0.39  39  0.74  molprobity  
128  128    11  24  0.18  37  0.67  molprobity  
129  129    11  24  0.18  37  0.76  molprobity  
130  130    11  25  0.26  39  0.67  molprobity  
131  131    11  21  0.19  32  0.95  molprobity  
132  132    11  25  0.24  39  0.64  molprobity  
133  133    11  25  0.26  39  0.66  molprobity  
134  134    11  25  0.22  39  0.74  molprobity  
135  135    12  22  0.32  34  0.93  molprobity  
136  136    11  21  0.17  32  1.29  molprobity  
137  137    11  21  0.19  32  0.71  molprobity  
138  138    11  21  0.23  32  0.77  molprobity  
139  139    12  24  0.22  35  0.70  molprobity  
140  140     ?  30  2.08  43  2.08  mogul       
141  141    12  18  0.17  28  0.50  molprobity  
142  142    11  25  0.25  39  0.66  molprobity  
143  143    11  25  0.22  39  0.66  molprobity  
144  144    11  25  0.26  39  0.80  molprobity  
145  145    11  25  0.26  39  1.19  molprobity  
146  146    11  21  0.21  32  0.71  molprobity  
147  147    11  25  0.38  39  0.73  molprobity  
148  148    11  24  0.18  37  0.67  molprobity  
149  149    11  24  0.17  37  0.76  molprobity  
150  150    11  25  0.27  39  0.68  molprobity  
151  151    11  21  0.20  32  0.93  molprobity  
152  152    11  25  0.22  39  0.65  molprobity  
153  153    11  25  0.22  39  0.64  molprobity  
154  154    11  25  0.22  39  0.72  molprobity  
155  155    12  22  0.35  34  0.93  molprobity  
156  156    11  21  0.12  32  1.34  molprobity  
157  157    11  21  0.18  32  0.70  molprobity  
158  158    11  21  0.23  32  0.77  molprobity  
159  159    12  24  0.23  35  0.69  molprobity  
160  160     ?  30  2.07  43  2.07  mogul       
161  161    12  18  0.22  28  0.68  molprobity  
162  162    11  25  0.24  39  0.71  molprobity  
163  163    11  25  0.24  39  0.66  molprobity  
164  164    11  25  0.22  39  0.82  molprobity  
165  165    11  25  0.25  39  1.23  molprobity  
166  166    11  21  0.28  32  0.72  molprobity  
167  167    11  25  0.36  39  0.73  molprobity  
168  168    11  24  0.17  37  0.67  molprobity  
169  169    11  24  0.22  37  0.75  molprobity  
170  170    11  25  0.27  39  0.67  molprobity  
171  171    11  21  0.18  32  0.93  molprobity  
172  172    11  25  0.24  39  0.63  molprobity  
173  173    11  25  0.26  39  0.66  molprobity  
174  174    11  25  0.22  39  0.75  molprobity  
175  175    12  22  0.31  34  0.92  molprobity  
176  176    11  21  0.16  32  1.34  molprobity  
177  177    11  21  0.15  32  0.68  molprobity  
178  178    11  21  0.18  32  0.75  molprobity  
179  179    12  24  0.24  35  0.68  molprobity  
180  180     ?  30  2.08  43  2.08  mogul       
181  181    12  18  0.18  28  0.61  molprobity  
182  182    11  25  0.23  39  0.67  molprobity  
183  183    11  25  0.22  39  0.66  molprobity  
184  184    11  25  0.25  39  0.87  molprobity  
185  185    11  25  0.25  39  1.18  molprobity  
186  186    11  21  0.22  32  0.69  molprobity  
187  187    11  25  0.41  39  0.70  molprobity  
188  188    11  24  0.16  37  0.68  molprobity  
189  189    11  24  0.17  37  0.75  molprobity  
190  190    11  25  0.28  39  0.68  molprobity  
191  191    11  21  0.17  32  0.92  molprobity  
192  192    11  25  0.21  39  0.65  molprobity  
193  193    11  25  0.25  39  0.65  molprobity  
194  194    11  25  0.23  39  0.75  molprobity  
195  195    12  22  0.31  34  0.94  molprobity  
196  196    11  21  0.14  32  1.34  molprobity  
197  197    11  21  0.41  32  0.73  molprobity  
198  198    11  21  0.19  32  0.76  molprobity  
199  199    12  24  0.24  35  0.67  molprobity  
200  200     ?  30  2.08  43  2.08  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    3  C6       1  0.43  3.07  
 2    4  C6       1  0.43  3.07  
 3   16  "H2''"   2  0.47  2.09  
 4   17  OP1      2  0.47  2.09  
 5   23  C6       3  0.42  3.08  
 6   24  C6       3  0.42  3.08  
 7   31  "H2''"   4  0.41  2.16  
 8   32  "O5'"    4  0.41  2.16  
 9   36  "H2''"   5  0.45  2.09  
10   37  OP1      5  0.45  2.09  
11   43  C6       6  0.43  3.06  
12   44  C6       6  0.43  3.06  
13   51  "H2''"   7  0.41  2.16  
14   52  "O5'"    7  0.41  2.16  
15   56  "H2''"   8  0.47  2.08  
16   57  OP1      8  0.47  2.08  
17   71  "H2''"   9  0.41  2.14  
18   72  "O5'"    9  0.41  2.14  
19   76  "H2''"  10  0.48  2.08  
20   77  OP1     10  0.48  2.08  
21   83  C6      11  0.43  3.07  
22   84  C6      11  0.43  3.07  
23   91  "H2''"  12  0.41  2.16  
24   92  "O5'"   12  0.41  2.16  
25   96  "H2''"  13  0.47  2.08  
26   97  OP1     13  0.47  2.08  
27  103  C6      14  0.41  3.09  
28  104  C6      14  0.41  3.09  
29  116  "H2''"  15  0.46  2.09  
30  117  OP1     15  0.46  2.09  
31  123  C6      16  0.49  3.00  
32  124  C6      16  0.49  3.00  
33  131  "H2''"  17  0.41  2.16  
34  132  "O5'"   17  0.41  2.16  
35  136  "H2''"  18  0.46  2.09  
36  137  OP1     18  0.46  2.09  
37  156  "H2''"  19  0.48  2.08  
38  157  OP1     19  0.48  2.08  
39  163  C6      20  0.42  3.07  
40  164  C6      20  0.42  3.07  
41  171  "H2''"  21  0.41  2.16  
42  172  "O5'"   21  0.41  2.16  
43  176  "H2''"  22  0.47  2.09  
44  177  OP1     22  0.47  2.09  
45  183  C6      23  0.45  3.04  
46  184  C6      23  0.45  3.04  
47  191  "H2''"  24  0.42  2.14  
48  192  "O5'"   24  0.42  2.14  
49  196  "H2''"  25  0.48  2.08  
50  197  OP1     25  0.48  2.08  
#
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    5  "O4'"  "C4'"  "C3'"  102.377  104.500  0.400  -5.31  
 2   16  "O4'"  "C4'"  "C3'"  102.261  104.500  0.400  -5.60  
 3   25  "O4'"  "C4'"  "C3'"  102.450  104.500  0.400  -5.12  
 4   36  "O4'"  "C4'"  "C3'"  102.112  104.500  0.400  -5.97  
 5   45  "O4'"  "C4'"  "C3'"  102.368  104.500  0.400  -5.33  
 6   56  "O4'"  "C4'"  "C3'"  102.161  104.500  0.400  -5.85  
 7   65  "O4'"  "C4'"  "C3'"  102.415  104.500  0.400  -5.21  
 8   76  "O4'"  "C4'"  "C3'"  102.110  104.500  0.400  -5.98  
 9   85  "O4'"  "C4'"  "C3'"  102.292  104.500  0.400  -5.52  
10   96  "O4'"  "C4'"  "C3'"  102.263  104.500  0.400  -5.59  
11  116  "O4'"  "C4'"  "C3'"  102.032  104.500  0.400  -6.17  
12  125  "O4'"  "C4'"  "C3'"  102.450  104.500  0.400  -5.12  
13  136  "O4'"  "C4'"  "C3'"  102.261  104.500  0.400  -5.60  
14  145  "O4'"  "C4'"  "C3'"  102.462  104.500  0.400  -5.10  
15  156  "O4'"  "C4'"  "C3'"  102.133  104.500  0.400  -5.92  
16  165  "O4'"  "C4'"  "C3'"  102.322  104.500  0.400  -5.44  
17  176  "O4'"  "C4'"  "C3'"  102.143  104.500  0.400  -5.89  
18  185  "O4'"  "C4'"  "C3'"  102.489  104.500  0.400  -5.03  
19  196  "O4'"  "C4'"  "C3'"  102.153  104.500  0.400  -5.87  
#
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   20  CB   CG   1.39  1.51  9489  0.02  -4.89  0.00  
 2   20  CAA  CAN  1.39  1.50  3958  0.02  -5.27  0.01  
 3   20  CAG  CAD  1.39  1.51   525  0.02  -7.35  0.01  
 4   20  CAE  CAJ  1.39  1.46   363  0.03  -2.81  0.00  
 5   40  CB   CG   1.39  1.51  9489  0.02  -4.89  0.00  
 6   40  CAA  CAN  1.39  1.50  3958  0.02  -5.21  0.01  
 7   40  CAG  CAD  1.39  1.51   525  0.02  -7.38  0.01  
 8   40  OAI  CAH  1.43  1.46   106  0.01  -2.02  0.00  
 9   40  CAE  CAJ  1.39  1.46   363  0.03  -2.84  0.00  
10   60  CB   CG   1.39  1.51  9489  0.02  -4.92  0.00  
11   60  CAA  CAN  1.39  1.50  3958  0.02  -5.24  0.01  
12   60  CAG  CAD  1.39  1.51   525  0.02  -7.37  0.01  
13   60  CAE  CAJ  1.39  1.46   363  0.03  -2.82  0.00  
14   80  CB   CG   1.39  1.51  9489  0.02  -4.95  0.00  
15   80  CAA  CAN  1.39  1.50  3958  0.02  -5.28  0.01  
16   80  CAG  CAD  1.39  1.51   525  0.02  -7.36  0.01  
17   80  OAI  CAH  1.43  1.46   106  0.01  -2.01  0.00  
18   80  CAE  CAJ  1.39  1.46   363  0.03  -2.81  0.00  
19  100  CB   CG   1.39  1.51  9489  0.02  -4.92  0.00  
20  100  CAA  CAN  1.39  1.50  3958  0.02  -5.23  0.01  
21  100  CAG  CAD  1.39  1.51   525  0.02  -7.44  0.01  
22  100  OAI  CAH  1.43  1.46   106  0.01  -2.00  0.00  
23  100  CAE  CAJ  1.39  1.46   363  0.03  -2.78  0.00  
24  120  CB   CG   1.39  1.51  9489  0.02  -4.92  0.00  
25  120  CAA  CAN  1.39  1.50  3958  0.02  -5.23  0.01  
26  120  CAG  CAD  1.39  1.51   525  0.02  -7.42  0.01  
27  120  CAE  CAJ  1.39  1.46   363  0.03  -2.79  0.00  
28  140  CB   CG   1.39  1.51  9489  0.02  -4.92  0.00  
29  140  CAA  CAN  1.39  1.50  3958  0.02  -5.26  0.01  
30  140  CAG  CAD  1.39  1.51   525  0.02  -7.38  0.01  
31  140  CAE  CAJ  1.39  1.46   363  0.03  -2.81  0.00  
32  160  CB   CG   1.39  1.51  9489  0.02  -4.90  0.00  
33  160  CAA  CAN  1.39  1.50  3958  0.02  -5.23  0.01  
34  160  CAG  CAD  1.39  1.51   525  0.02  -7.40  0.01  
35  160  CAE  CAJ  1.39  1.46   363  0.03  -2.80  0.00  
36  180  CB   CG   1.39  1.51  9489  0.02  -4.96  0.00  
37  180  CAA  CAN  1.39  1.50  3958  0.02  -5.28  0.01  
38  180  CAG  CAD  1.39  1.51   525  0.02  -7.38  0.01  
39  180  CAE  CAJ  1.39  1.46   363  0.03  -2.80  0.00  
40  200  CB   CG   1.39  1.51  9489  0.02  -4.93  0.00  
41  200  CAA  CAN  1.39  1.50  3958  0.02  -5.23  0.01  
42  200  CAG  CAD  1.39  1.51   525  0.02  -7.41  0.01  
43  200  CAE  CAJ  1.39  1.46   363  0.03  -2.82  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   20  CAL  CAH  CAG  109.58  114.01    65  1.33  -3.33  1.90  
 2   20  OAI  CAH  CAL  109.52  106.01   106  1.02   3.46  0.10  
 3   20  CAH  OAI  CAJ  109.04  119.13    48  1.18  -8.56  8.11  
 4   20  OAI  CAJ  OAK  123.88  117.60   263  1.12   5.63  2.68  
 5   20  OAI  CAJ  CAE  115.28  119.09   119  1.39  -2.74  0.80  
 6   20  OBB  CAF  CAA  114.27  121.07  1353  1.78  -3.83  0.68  
 7   20  OBB  CAF  CAE  115.08  120.98  1612  2.23  -2.65  0.00  
 8   40  CAL  CAH  CAG  109.51  114.01    65  1.33  -3.38  1.96  
 9   40  OAI  CAH  CAL  109.54  106.01   106  1.02   3.47  0.11  
10   40  CAH  OAI  CAJ  108.92  119.13    48  1.18  -8.66  8.23  
11   40  OAI  CAJ  OAK  123.87  117.60   263  1.12   5.63  2.68  
12   40  OAI  CAJ  CAE  115.28  119.09   119  1.39  -2.74  0.80  
13   40  OBB  CAF  CAA  114.50  121.07  1353  1.78  -3.70  0.90  
14   40  OBB  CAF  CAE  114.99  120.98  1612  2.23  -2.69  0.05  
15   60  CAL  CAH  CAG  109.57  114.01    65  1.33  -3.33  1.91  
16   60  OAI  CAH  CAL  109.57  106.01   106  1.02   3.50  0.14  
17   60  CAH  OAI  CAJ  108.92  119.13    48  1.18  -8.66  8.23  
18   60  OAI  CAJ  OAK  123.77  117.60   263  1.12   5.54  2.58  
19   60  OAI  CAJ  CAE  115.28  119.09   119  1.39  -2.74  0.80  
20   60  OBB  CAF  CAA  114.37  121.07  1353  1.78  -3.77  0.79  
21   60  OBB  CAF  CAE  115.07  120.98  1612  2.23  -2.65  0.01  
22   80  CAL  CAH  CAG  109.56  114.01    65  1.33  -3.34  1.91  
23   80  OAI  CAH  CAL  109.52  106.01   106  1.02   3.45  0.09  
24   80  CAH  OAI  CAJ  108.91  119.13    48  1.18  -8.68  8.25  
25   80  OAI  CAJ  OAK  123.89  117.60   263  1.12   5.64  2.69  
26   80  OAI  CAJ  CAE  115.28  119.09   119  1.39  -2.74  0.81  
27   80  OBB  CAF  CAA  114.41  121.07  1353  1.78  -3.75  0.83  
28   80  OBB  CAF  CAE  115.01  120.98  1612  2.23  -2.68  0.05  
29  100  CAL  CAH  CAG  109.61  114.01    65  1.33  -3.30  1.87  
30  100  OAI  CAH  CAL  109.57  106.01   106  1.02   3.50  0.15  
31  100  CAH  OAI  CAJ  109.01  119.13    48  1.18  -8.59  8.14  
32  100  OAI  CAJ  OAK  123.89  117.60   263  1.12   5.64  2.69  
33  100  OAI  CAJ  CAE  115.28  119.09   119  1.39  -2.74  0.80  
34  100  OBB  CAF  CAA  114.63  121.07  1353  1.78  -3.62  0.77  
35  100  OBB  CAF  CAE  115.05  120.98  1612  2.23  -2.66  0.01  
36  120  CAL  CAH  CAG  109.51  114.01    65  1.33  -3.38  1.96  
37  120  OAI  CAH  CAL  109.56  106.01   106  1.02   3.49  0.13  
38  120  CAH  OAI  CAJ  109.03  119.13    48  1.18  -8.57  8.13  
39  120  OAI  CAJ  OAK  123.84  117.60   263  1.12   5.60  2.65  
40  120  OAI  CAJ  CAE  115.41  119.09   119  1.39  -2.65  0.68  
41  120  OBB  CAF  CAA  114.53  121.07  1353  1.78  -3.68  0.87  
42  120  OBB  CAF  CAE  115.07  120.98  1612  2.23  -2.65  0.01  
43  140  CAL  CAH  CAG  109.57  114.01    65  1.33  -3.33  1.90  
44  140  OAI  CAH  CAL  109.45  106.01   106  1.02   3.38  0.02  
45  140  CAH  OAI  CAJ  108.90  119.13    48  1.18  -8.69  8.26  
46  140  OAI  CAJ  OAK  123.84  117.60   263  1.12   5.60  2.65  
47  140  OAI  CAJ  CAE  115.25  119.09   119  1.39  -2.76  0.84  
48  140  OBB  CAF  CAA  114.48  121.07  1353  1.78  -3.71  0.90  
49  140  OBB  CAF  CAE  115.03  120.98  1612  2.23  -2.67  0.03  
50  160  CAL  CAH  CAG  109.57  114.01    65  1.33  -3.34  1.91  
51  160  OAI  CAH  CAL  109.53  106.01   106  1.02   3.47  0.11  
52  160  CAH  OAI  CAJ  109.00  119.13    48  1.18  -8.60  8.16  
53  160  OAI  CAJ  OAK  123.84  117.60   263  1.12   5.60  2.65  
54  160  OAI  CAJ  CAE  115.31  119.09   119  1.39  -2.72  0.77  
55  160  OBB  CAF  CAA  114.31  121.07  1353  1.78  -3.81  0.73  
56  160  OBB  CAF  CAE  115.04  120.98  1612  2.23  -2.67  0.02  
57  180  CAL  CAH  CAG  109.59  114.01    65  1.33  -3.32  1.88  
58  180  OAI  CAH  CAL  109.47  106.01   106  1.02   3.40  0.04  
59  180  CAH  OAI  CAJ  108.92  119.13    48  1.18  -8.67  8.23  
60  180  OAI  CAJ  OAK  123.89  117.60   263  1.12   5.64  2.69  
61  180  OAI  CAJ  CAE  115.22  119.09   119  1.39  -2.78  0.87  
62  180  OBB  CAF  CAA  114.67  121.07  1353  1.78  -3.61  0.74  
63  180  OBB  CAF  CAE  115.05  120.98  1612  2.23  -2.66  0.01  
64  200  CAL  CAH  CAG  109.48  114.01    65  1.33  -3.40  1.99  
65  200  OAI  CAH  CAL  109.56  106.01   106  1.02   3.49  0.13  
66  200  CAH  OAI  CAJ  108.94  119.13    48  1.18  -8.65  8.21  
67  200  OAI  CAJ  OAK  123.86  117.60   263  1.12   5.61  2.66  
68  200  OAI  CAJ  CAE  115.29  119.09   119  1.39  -2.73  0.80  
69  200  OBB  CAF  CAA  114.40  121.07  1353  1.78  -3.75  0.82  
70  200  OBB  CAF  CAE  115.06  120.98  1612  2.23  -2.65  0.00  
#
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   20  CAF  CAA  CAN  N     109.48   92.00  1470  18.74   5.48  0.20  
 2   20  CAF  CAA  CAN  OAX   -70.12   92.35  1871  19.23   1.38  0.21  
 3   40  C    CA   CB   CG    -84.93   63.77   960  30.44   0.64  1.88  
 4   40  N    CA   CB   CG    155.05   69.33  2381  34.88   0.03  2.69  
 5   40  O    C    CA   N      68.46   73.52   420  30.08   0.58  2.14  
 6   40  OXT  C    CA   N    -110.73   72.87   420  28.59   0.78  2.14  
 7   40  OAX  CAN  N    CA     23.95   18.03  2266   4.82   0.12  3.62  
 8   40  CAA  CAN  N    CA   -156.45   17.55  2007   4.84   0.55  3.44  
 9   40  CAF  CAA  CAN  N    -127.33  104.78  1470  29.33   0.34  0.68  
10   40  CAF  CAA  CAN  OAX    52.29  104.44  1871  30.70   0.23  0.80  
11   60  C    CA   CB   CG     40.33   91.83   960  52.44   0.30  3.85  
12   60  OAX  CAN  N    CA    -65.19   59.05  2266   3.91  20.08  0.00  
13   60  CAA  CAN  N    CA    114.62   59.21  2007   3.80   6.43  0.05  
14   60  CAF  CAA  CAN  N    -116.30   96.86  1470  22.64   0.41  0.41  
15   60  CAF  CAA  CAN  OAX    63.52   96.81  1871  23.36   0.88  0.32  
16   80  CAF  CAA  CAN  N     131.75  107.98  1470  32.07   0.04  1.09  
17   80  CAF  CAA  CAN  OAX   -48.23  107.22  1871  33.39   0.11  1.02  
18  100  CAF  CAA  CAN  N    -146.38  118.74  1470  40.92   0.50  1.90  
19  100  CAF  CAA  CAN  OAX    33.14  117.69  1871  43.33   0.35  1.82  
20  120  C    CA   CB   CG    -84.32   63.97   960  30.98   1.20  2.08  
21  120  N    CA   CB   CG    155.55   69.54  2381  35.31   0.10  3.02  
22  120  O    C    CA   N      70.98   72.75   420  28.28   0.33  2.38  
23  120  OXT  C    CA   N    -108.67   72.23   420  27.16   0.87  1.90  
24  120  C    CA   N    CAN    45.80   56.69  1975  32.60   0.11  4.35  
25  120  OAX  CAN  N    CA     27.23   21.27  2266   4.75   0.51  1.68  
26  120  CAA  CAN  N    CA   -152.82   21.14  2007   4.75   0.38  1.40  
27  120  CAF  CAA  CAN  N    -121.05  100.27  1470  25.48   1.05  0.48  
28  120  CAF  CAA  CAN  OAX    58.90   99.94  1871  26.34   1.44  0.59  
29  140  C    CA   CB   CG    -84.74   63.83   960  30.61   0.83  1.98  
30  140  N    CA   CB   CG    155.31   69.44  2381  35.10   0.14  2.86  
31  140  C    CA   N    CAN    44.74   57.72  1975  32.64   0.78  3.29  
32  140  OAX  CAN  N    CA     29.23   23.25  2266   4.68   0.61  1.37  
33  140  CAA  CAN  N    CA   -150.78   23.17  2007   4.67   0.14  0.95  
34  140  CAF  CAA  CAN  N    -126.31  104.05  1470  28.71   0.67  0.68  
35  140  CAF  CAA  CAN  OAX    53.68  103.49  1871  29.79   0.41  0.69  
36  160  O    C    CA   N      58.76   76.71   420  37.29   1.46  4.05  
37  160  OXT  C    CA   N    -121.08   76.22   420  36.25   0.49  2.86  
38  160  CAB  CAA  CAN  N     -76.01   62.98  3181  31.16   0.05  4.06  
39  160  CAF  CAA  CAN  N     104.41   88.38  1470  16.11  10.55  0.00  
40  160  CAB  CAA  CAN  OAX   103.86   63.68  3917  31.22   0.04  4.03  
41  160  CAF  CAA  CAN  OAX   -75.72   88.58  1871  16.03   6.97  0.05  
42  180  C    CA   CB   CG   -100.93   59.01   960  16.19  11.73  0.00  
43  180  N    CA   CB   CG    139.06   62.88  2381  21.01   5.52  0.08  
44  180  O    C    CA   N      68.59   73.48   420  29.98   0.70  2.14  
45  180  OXT  C    CA   N    -111.16   73.00   420  28.90   0.35  2.14  
46  180  C    CA   N    CAN    35.69   66.76  1975  32.67   2.56  0.25  
47  180  OAX  CAN  N    CA     46.86   40.79  2266   4.14   8.52  0.04  
48  180  CAA  CAN  N    CA   -133.13   40.76  2007   4.06  10.26  0.00  
49  180  CAB  CAA  CAN  N      84.14   60.99  3181  26.93   0.19  3.21  
50  180  CAF  CAA  CAN  N    -104.20   88.24  1470  16.01  10.76  0.00  
51  180  CAB  CAA  CAN  OAX   -95.85   61.90  3917  26.87   0.06  2.81  
52  180  CAF  CAA  CAN  OAX    75.81   88.52  1871  15.99   7.06  0.05  
53  200  CAF  CAA  CAN  N     119.66   99.27  1470  24.63   2.44  0.48  
54  200  CAF  CAA  CAN  OAX   -60.34   98.96  1871  25.40   0.01  0.53  
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           5
_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           185
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           185
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            185
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
_pdbx_vrpt_chemical_shift_outlier.ordinal        1
_pdbx_vrpt_chemical_shift_outlier.auth_asym_id   A
_pdbx_vrpt_chemical_shift_outlier.rescode        DA
_pdbx_vrpt_chemical_shift_outlier.auth_seq_id    8
_pdbx_vrpt_chemical_shift_outlier.label_atom_id  "H4'"
_pdbx_vrpt_chemical_shift_outlier.value          2.071
_pdbx_vrpt_chemical_shift_outlier.zscore         -7.610
_pdbx_vrpt_chemical_shift_outlier.prediction     2.85~5.81
_pdbx_vrpt_chemical_shift_outlier.method         BMRB-Statistics
#
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  182  206  388  overall  Total  
 2  133   95  228  sugar    Total  
 3   49  111  160  base     Total  
 4  182   54  236  overall  H      
 5  133    0  133  sugar    H      
 6   49   54  103  base     H      
 7    0  123  123  overall  C      
 8    0   95   95  sugar    C      
 9    0   28   28  base     C      
10    0   29   29  overall  N      
11    0   29   29  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  182  206  388  overall  Total  
 2  133   95  228  sugar    Total  
 3   49  111  160  base     Total  
 4  182   54  236  overall  H      
 5  133    0  133  sugar    H      
 6   49   54  103  base     H      
 7    0  123  123  overall  C      
 8    0   95   95  sugar    C      
 9    0   28   28  base     C      
10    0   29   29  overall  N      
11    0   29   29  base     N      
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     473  
 2  "Intra-residue (|i-j|=0)"                       238  
 3  "Sequential (|i-j|=1)"                          110  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             15  
 5  "Long range (|i-j|>=5)"                         110  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                  0  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                93  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             29.8  
12  "Number of long range restraints per residue"   5.8  
#
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                 238   50.3   2  0.4  0.8   5  1.1   2.1  
 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  238   50.3   2  0.4  0.8   5  1.1   2.1  
 5  Sequential     all                 110   23.3   4  0.8  3.6   5  1.1   4.5  
 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  110   23.3   4  0.8  3.6   5  1.1   4.5  
 9  MediumRange    all                  15    3.2   1  0.2  6.7   2  0.4  13.3  
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   15    3.2   1  0.2  6.7   2  0.4  13.3  
13  LongRange      all                 110   23.3   6  1.3  5.5  15  3.2  13.6  
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  110   23.3   6  1.3  5.5  15  3.2  13.6  
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                   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                 473  100.0  13  2.7  2.7  27  5.7   5.7  
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  473  100.0  13  2.7  2.7  27  5.7   5.7  
#
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  1.31  0.29  0.14  0.35  
 2   2  1.37  0.31  0.14  0.37  
 3   3  1.13  0.25  0.15  0.27  
 4   4  1.67  0.30  0.14  0.41  
 5   5  1.26  0.26  0.12  0.32  
 6   6  1.34  0.30  0.14  0.37  
 7   7  1.37  0.31  0.14  0.38  
 8   8  1.30  0.28  0.14  0.34  
 9   9  1.30  0.27  0.14  0.33  
10  10  1.60  0.28  0.13  0.38  
#
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   3  
 2   1  sequential     4  
 3   1  medium         2  
 4   1  long           7  
 5   1  interchain     0  
 6   1  total         16  
 7   2  intraresidue   4  
 8   2  sequential     4  
 9   2  medium         1  
10   2  long           6  
11   2  interchain     0  
12   2  total         15  
13   3  intraresidue   5  
14   3  sequential     4  
15   3  medium         1  
16   3  long           7  
17   3  interchain     0  
18   3  total         17  
19   4  intraresidue   4  
20   4  sequential     5  
21   4  medium         1  
22   4  long           7  
23   4  interchain     0  
24   4  total         17  
25   5  intraresidue   5  
26   5  sequential     4  
27   5  medium         1  
28   5  long           9  
29   5  interchain     0  
30   5  total         19  
31   6  intraresidue   3  
32   6  sequential     4  
33   6  medium         1  
34   6  long           7  
35   6  interchain     0  
36   6  total         15  
37   7  intraresidue   4  
38   7  sequential     4  
39   7  medium         1  
40   7  long           6  
41   7  interchain     0  
42   7  total         15  
43   8  intraresidue   4  
44   8  sequential     4  
45   8  medium         2  
46   8  long           7  
47   8  interchain     0  
48   8  total         17  
49   9  intraresidue   5  
50   9  sequential     4  
51   9  medium         1  
52   9  long           7  
53   9  interchain     0  
54   9  total         17  
55  10  intraresidue   4  
56  10  sequential     5  
57  10  medium         2  
58  10  long           8  
59  10  interchain     0  
60  10  total         19  
#
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   10.0  
 2   2   20.0  
 3   3   30.0  
 4   4   40.0  
 5   5   50.0  
 6   6   60.0  
 7   7   70.0  
 8   8   80.0  
 9   9   90.0  
10  10  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   0  
 2   1  sequential     0  
 3   1  medium         0  
 4   1  long           8  
 5   1  interchain     0  
 6   1  total          8  
 7   2  intraresidue   0  
 8   2  sequential     1  
 9   2  medium         0  
10   2  long           0  
11   2  interchain     0  
12   2  total          1  
13   3  intraresidue   1  
14   3  sequential     0  
15   3  medium         1  
16   3  long           1  
17   3  interchain     0  
18   3  total          3  
19   4  intraresidue   0  
20   4  sequential     0  
21   4  medium         0  
22   4  long           0  
23   4  interchain     0  
24   4  total          0  
25   5  intraresidue   0  
26   5  sequential     0  
27   5  medium         0  
28   5  long           0  
29   5  interchain     0  
30   5  total          0  
31   6  intraresidue   0  
32   6  sequential     0  
33   6  medium         0  
34   6  long           0  
35   6  interchain     0  
36   6  total          0  
37   7  intraresidue   0  
38   7  sequential     0  
39   7  medium         0  
40   7  long           0  
41   7  interchain     0  
42   7  total          0  
43   8  intraresidue   0  
44   8  sequential     0  
45   8  medium         0  
46   8  long           0  
47   8  interchain     0  
48   8  total          0  
49   9  intraresidue   2  
50   9  sequential     0  
51   9  medium         0  
52   9  long           0  
53   9  interchain     0  
54   9  total          2  
55  10  intraresidue   2  
56  10  sequential     4  
57  10  medium         1  
58  10  long           6  
59  10  interchain     0  
60  10  total         13  
#
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  13.6  
2  0.2-0.5  0.5   0.4  
3  >0.5     1.7   2.7  
#
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  387  1  .  A  101  B2U  ?     2  B   .  HD2     A  .  15  DT  15  A  1  ?     "H5'"   10  1.30  1.33  0.31  
 2  387  1  .  A  101  B2U  ?     2  B   .  HD2     A  .  15  DT  15  A  1  ?     "H5''"  10  1.30  1.33  0.31  
 3  126  1  .  A   15  DT   ?     1  A  15  "H5'"   A  .  15  DT  15  A  1  ?     H6      10  1.04  1.02  0.04  
 4  126  1  .  A   15  DT   ?     1  A  15  "H5''"  A  .  15  DT  15  A  1  ?     H6      10  1.04  1.02  0.04  
 5  388  1  .  A  101  B2U  ?     2  B   .  HE2     A  .  15  DT  15  A  1  ?     "H5'"   10  0.56  0.56  0.07  
 6  388  1  .  A  101  B2U  ?     2  B   .  HE2     A  .  15  DT  15  A  1  ?     "H5''"  10  0.56  0.56  0.07  
 7  136  1  .  A   17  DC   ?     1  A  17  "H3'"   A  .  17  DC  17  A  1  ?     "H1'"   10  0.17  0.17  0.01  
 8  307  1  .  A   12  DG   ?     1  A  12  "H5''"  A  .  11  DC  11  A  1  ?     H6      10  0.16  0.16  0.01  
 9  316  1  .  A   13  DG   ?     1  A  13  "H1'"   A  .  14  DG  14  A  1  ?     "H5''"  10  0.15  0.15  0.01  
10   59  2  .  A    2  DG   ?     1  A   2  O6      A  .  14  DG  14  A  1  ?     H21     10  0.14  0.15  0.01  
11   39  2  .  A    4  DG   ?     1  A   4  O6      A  .  16  DC  16  A  1  ?     N3      10  0.14  0.14  0.03  
12    3  2  .  A    9  DA   ?     1  A   9  N7      A  .   7  DG   7  A  1  ?     H22     10  0.14  0.14  0.00  
13  369  1  .  A  101  B2U  ?     2  B   .  HA1     A  .  11  DC  11  A  1  ?     "H2''"  10  0.14  0.14  0.01  
14  369  1  .  A  101  B2U  ?     2  B   .  HA2     A  .  11  DC  11  A  1  ?     "H2''"  10  0.14  0.14  0.01  
15  369  1  .  A  101  B2U  ?     2  B   .  HA3     A  .  11  DC  11  A  1  ?     "H2''"  10  0.14  0.14  0.01  
16  369  1  .  A  101  B2U  ?     2  B   .  HAB     A  .  11  DC  11  A  1  ?     "H2''"  10  0.14  0.14  0.01  
17  369  1  .  A  101  B2U  ?     2  B   .  HAG     A  .  11  DC  11  A  1  ?     "H2''"  10  0.14  0.14  0.01  
18  369  1  .  A  101  B2U  ?     2  B   .  HAH     A  .  11  DC  11  A  1  ?     "H2''"  10  0.14  0.14  0.01  
19  369  1  .  A  101  B2U  ?     2  B   .  HAI     A  .  11  DC  11  A  1  ?     "H2''"  10  0.14  0.14  0.01  
20  369  1  .  A  101  B2U  ?     2  B   .  HAM     A  .  11  DC  11  A  1  ?     "H2''"  10  0.14  0.14  0.01  
21   43  2  .  A    5  DG   ?     1  A   5  O6      A  .  11  DC  11  A  1  ?     H41     10  0.13  0.13  0.01  
22  333  1  .  A   16  DC   ?     1  A  16  H6      A  .  17  DC  17  A  1  ?     H6      10  0.13  0.12  0.01  
23  246  1  .  A    7  DG   ?     1  A   7  "H2'"   A  .   8  DA   8  A  1  ?     H8      10  0.12  0.12  0.00  
24  143  1  .  A   18  DC   ?     1  A  18  "H3'"   A  .  18  DC  18  A  1  ?     "H1'"    9  0.11  0.11  0.00  
25  146  1  .  A   19  DG   ?     1  A  19  "H3'"   A  .  19  DG  19  A  1  ?     "H1'"    9  0.11  0.11  0.00  
26  120  1  .  A   13  DG   ?     1  A  13  "H3'"   A  .  13  DG  13  A  1  ?     H8       3  0.11  0.11  0.00  
27   53  2  .  A   10  DG   ?     1  A  10  H21     A  .   6  DC   6  A  1  ?     O2       3  0.11  0.11  0.00  
28   65  2  .  A   12  DG   ?     1  A  12  H1      A  .   4  DG   4  A  1  ?     N7       3  0.11  0.11  0.00  
29  245  1  .  A    4  DG   ?     1  A   4  "H2''"  A  .   5  DG   5  A  1  ?     H8       2  0.14  0.14  0.01  
#
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  387  1   80   75  HD2     "H5'"   1.67  
  2  387  1   80   75  HD2     "H5''"  1.67  
  3  387  1  200  195  HD2     "H5'"   1.60  
  4  387  1  200  195  HD2     "H5''"  1.60  
  5  387  1   40   35  HD2     "H5'"   1.37  
  6  387  1   40   35  HD2     "H5''"  1.37  
  7  387  1  140  135  HD2     "H5'"   1.37  
  8  387  1  140  135  HD2     "H5''"  1.37  
  9  387  1  120  115  HD2     "H5'"   1.34  
 10  387  1  120  115  HD2     "H5''"  1.34  
 11  387  1   20   15  HD2     "H5'"   1.31  
 12  387  1   20   15  HD2     "H5''"  1.31  
 13  387  1  160  155  HD2     "H5'"   1.30  
 14  387  1  160  155  HD2     "H5''"  1.30  
 15  387  1  180  175  HD2     "H5'"   1.30  
 16  387  1  180  175  HD2     "H5''"  1.30  
 17  387  1  100   95  HD2     "H5'"   1.26  
 18  387  1  100   95  HD2     "H5''"  1.26  
 19  126  1   55   55  "H5'"   H6      1.13  
 20  126  1   55   55  "H5''"  H6      1.13  
 21  126  1  135  135  "H5'"   H6      1.10  
 22  126  1  135  135  "H5''"  H6      1.10  
 23  126  1  195  195  "H5'"   H6      1.05  
 24  126  1  195  195  "H5''"  H6      1.05  
 25  126  1   35   35  "H5'"   H6      1.04  
 26  126  1   35   35  "H5''"  H6      1.04  
 27  126  1  115  115  "H5'"   H6      1.03  
 28  126  1  115  115  "H5''"  H6      1.03  
 29  126  1   95   95  "H5'"   H6      1.02  
 30  126  1   95   95  "H5''"  H6      1.02  
 31  126  1   75   75  "H5'"   H6      1.01  
 32  126  1   75   75  "H5''"  H6      1.01  
 33  126  1   15   15  "H5'"   H6      1.00  
 34  126  1   15   15  "H5''"  H6      1.00  
 35  126  1  155  155  "H5'"   H6      1.00  
 36  126  1  155  155  "H5''"  H6      1.00  
 37  126  1  175  175  "H5'"   H6      0.99  
 38  126  1  175  175  "H5''"  H6      0.99  
 39  388  1   60   55  HE2     "H5'"   0.73  
 40  388  1   60   55  HE2     "H5''"  0.73  
 41  388  1  140  135  HE2     "H5'"   0.60  
 42  388  1  140  135  HE2     "H5''"  0.60  
 43  388  1   20   15  HE2     "H5'"   0.59  
 44  388  1   20   15  HE2     "H5''"  0.59  
 45  388  1  160  155  HE2     "H5'"   0.57  
 46  388  1  160  155  HE2     "H5''"  0.57  
 47  388  1  120  115  HE2     "H5'"   0.56  
 48  388  1  120  115  HE2     "H5''"  0.56  
 49  388  1  100   95  HE2     "H5'"   0.55  
 50  388  1  100   95  HE2     "H5''"  0.55  
 51  388  1  200  195  HE2     "H5'"   0.52  
 52  388  1  200  195  HE2     "H5''"  0.52  
 53  388  1   40   35  HE2     "H5'"   0.51  
 54  388  1   40   35  HE2     "H5''"  0.51  
 55  388  1   80   75  HE2     "H5'"   0.49  
 56  388  1   80   75  HE2     "H5''"  0.49  
 57  388  1  180  175  HE2     "H5'"   0.44  
 58  388  1  180  175  HE2     "H5''"  0.44  
 59  387  1   60   55  HD2     "H5'"   0.44  
 60  387  1   60   55  HD2     "H5''"  0.44  
 61   39  2   44   56  O6      N3      0.21  
 62  136  1   97   97  "H3'"   "H1'"   0.19  
 63  307  1   32   31  "H5''"  H6      0.18  
 64  136  1  157  157  "H3'"   "H1'"   0.18  
 65  136  1  197  197  "H3'"   "H1'"   0.18  
 66   39  2    4   16  O6      N3      0.17  
 67  316  1   13   14  "H1'"   "H5''"  0.17  
 68  316  1  153  154  "H1'"   "H5''"  0.17  
 69  307  1   12   11  "H5''"  H6      0.17  
 70  307  1  152  151  "H5''"  H6      0.17  
 71  136  1   37   37  "H3'"   "H1'"   0.17  
 72  136  1   57   57  "H3'"   "H1'"   0.17  
 73  136  1   77   77  "H3'"   "H1'"   0.17  
 74  136  1  177  177  "H3'"   "H1'"   0.17  
 75   59  2  122  134  O6      H21     0.16  
 76   59  2  162  174  O6      H21     0.16  
 77   59  2  182  194  O6      H21     0.16  
 78   39  2  144  156  O6      N3      0.16  
 79  395  1   60   44  HD2     H1      0.16  
 80  369  1  180  171  HA1     "H2''"  0.16  
 81  369  1  180  171  HA2     "H2''"  0.16  
 82  369  1  180  171  HA3     "H2''"  0.16  
 83  369  1  180  171  HAB     "H2''"  0.16  
 84  369  1  180  171  HAG     "H2''"  0.16  
 85  369  1  180  171  HAH     "H2''"  0.16  
 86  369  1  180  171  HAI     "H2''"  0.16  
 87  369  1  180  171  HAM     "H2''"  0.16  
 88  316  1   33   34  "H1'"   "H5''"  0.16  
 89  307  1   52   51  "H5''"  H6      0.16  
 90  307  1   72   71  "H5''"  H6      0.16  
 91  307  1   92   91  "H5''"  H6      0.16  
 92  307  1  112  111  "H5''"  H6      0.16  
 93  136  1   17   17  "H3'"   "H1'"   0.16  
 94  136  1  117  117  "H3'"   "H1'"   0.16  
 95  136  1  137  137  "H3'"   "H1'"   0.16  
 96   59  2   82   94  O6      H21     0.15  
 97   59  2  102  114  O6      H21     0.15  
 98   43  2  145  151  O6      H41     0.15  
 99  369  1   60   51  HA1     "H2''"  0.15  
100  369  1   60   51  HA2     "H2''"  0.15  
101  369  1   60   51  HA3     "H2''"  0.15  
102  369  1   60   51  HAB     "H2''"  0.15  
103  369  1   60   51  HAG     "H2''"  0.15  
104  369  1   60   51  HAH     "H2''"  0.15  
105  369  1   60   51  HAI     "H2''"  0.15  
106  369  1   60   51  HAM     "H2''"  0.15  
107  316  1   53   54  "H1'"   "H5''"  0.15  
108  316  1   73   74  "H1'"   "H5''"  0.15  
109  316  1   93   94  "H1'"   "H5''"  0.15  
110  316  1  113  114  "H1'"   "H5''"  0.15  
111  316  1  133  134  "H1'"   "H5''"  0.15  
112  316  1  173  174  "H1'"   "H5''"  0.15  
113  316  1  193  194  "H1'"   "H5''"  0.15  
114  307  1  132  131  "H5''"  H6      0.15  
115  307  1  172  171  "H5''"  H6      0.15  
116  307  1  192  191  "H5''"  H6      0.15  
117   59  2   22   34  O6      H21     0.14  
118   59  2   42   54  O6      H21     0.14  
119   43  2    5   11  O6      H41     0.14  
120   39  2   24   36  O6      N3      0.14  
121   39  2   64   76  O6      N3      0.14  
122   39  2  104  116  O6      N3      0.14  
123   39  2  124  136  O6      N3      0.14  
124    3  2   29   27  N7      H22     0.14  
125    3  2   49   47  N7      H22     0.14  
126    3  2   69   67  N7      H22     0.14  
127    3  2   89   87  N7      H22     0.14  
128    3  2  109  107  N7      H22     0.14  
129    3  2  129  127  N7      H22     0.14  
130    3  2  169  167  N7      H22     0.14  
131    3  2  189  187  N7      H22     0.14  
132  369  1   40   31  HA1     "H2''"  0.14  
133  369  1   40   31  HA2     "H2''"  0.14  
134  369  1   40   31  HA3     "H2''"  0.14  
135  369  1   40   31  HAB     "H2''"  0.14  
136  369  1   40   31  HAG     "H2''"  0.14  
137  369  1   40   31  HAH     "H2''"  0.14  
138  369  1   40   31  HAI     "H2''"  0.14  
139  369  1   40   31  HAM     "H2''"  0.14  
140  369  1   80   71  HA1     "H2''"  0.14  
141  369  1   80   71  HA2     "H2''"  0.14  
142  369  1   80   71  HA3     "H2''"  0.14  
143  369  1   80   71  HAB     "H2''"  0.14  
144  369  1   80   71  HAG     "H2''"  0.14  
145  369  1   80   71  HAH     "H2''"  0.14  
146  369  1   80   71  HAI     "H2''"  0.14  
147  369  1   80   71  HAM     "H2''"  0.14  
148  369  1  120  111  HA1     "H2''"  0.14  
149  369  1  120  111  HA2     "H2''"  0.14  
150  369  1  120  111  HA3     "H2''"  0.14  
151  369  1  120  111  HAB     "H2''"  0.14  
152  369  1  120  111  HAG     "H2''"  0.14  
153  369  1  120  111  HAH     "H2''"  0.14  
154  369  1  120  111  HAI     "H2''"  0.14  
155  369  1  120  111  HAM     "H2''"  0.14  
156  369  1  160  151  HA1     "H2''"  0.14  
157  369  1  160  151  HA2     "H2''"  0.14  
158  369  1  160  151  HA3     "H2''"  0.14  
159  369  1  160  151  HAB     "H2''"  0.14  
160  369  1  160  151  HAG     "H2''"  0.14  
161  369  1  160  151  HAH     "H2''"  0.14  
162  369  1  160  151  HAI     "H2''"  0.14  
163  369  1  160  151  HAM     "H2''"  0.14  
164  333  1   36   37  H6      H6      0.14  
165  333  1  156  157  H6      H6      0.14  
166  333  1  176  177  H6      H6      0.14  
167  245  1   64   65  "H2''"  H8      0.14  
168   59  2    2   14  O6      H21     0.13  
169   59  2   62   74  O6      H21     0.13  
170   59  2  142  154  O6      H21     0.13  
171   43  2   25   31  O6      H41     0.13  
172   43  2   65   71  O6      H41     0.13  
173   43  2   85   91  O6      H41     0.13  
174   43  2  105  111  O6      H41     0.13  
175   43  2  125  131  O6      H41     0.13  
176   43  2  165  171  O6      H41     0.13  
177    3  2    9    7  N7      H22     0.13  
178    3  2  149  147  N7      H22     0.13  
179  369  1   20   11  HA1     "H2''"  0.13  
180  369  1   20   11  HA2     "H2''"  0.13  
181  369  1   20   11  HA3     "H2''"  0.13  
182  369  1   20   11  HAB     "H2''"  0.13  
183  369  1   20   11  HAG     "H2''"  0.13  
184  369  1   20   11  HAH     "H2''"  0.13  
185  369  1   20   11  HAI     "H2''"  0.13  
186  369  1   20   11  HAM     "H2''"  0.13  
187  369  1  140  131  HA1     "H2''"  0.13  
188  369  1  140  131  HA2     "H2''"  0.13  
189  369  1  140  131  HA3     "H2''"  0.13  
190  369  1  140  131  HAB     "H2''"  0.13  
191  369  1  140  131  HAG     "H2''"  0.13  
192  369  1  140  131  HAH     "H2''"  0.13  
193  369  1  140  131  HAI     "H2''"  0.13  
194  369  1  140  131  HAM     "H2''"  0.13  
195  369  1  200  191  HA1     "H2''"  0.13  
196  369  1  200  191  HA2     "H2''"  0.13  
197  369  1  200  191  HA3     "H2''"  0.13  
198  369  1  200  191  HAB     "H2''"  0.13  
199  369  1  200  191  HAG     "H2''"  0.13  
200  369  1  200  191  HAH     "H2''"  0.13  
201  369  1  200  191  HAI     "H2''"  0.13  
202  369  1  200  191  HAM     "H2''"  0.13  
203  333  1  136  137  H6      H6      0.13  
204  246  1    7    8  "H2'"   H8      0.13  
205  245  1  184  185  "H2''"  H8      0.13  
206   43  2   45   51  O6      H41     0.12  
207   43  2  185  191  O6      H41     0.12  
208   39  2  184  196  O6      N3      0.12  
209   23  2  182  198  O6      N3      0.12  
210  333  1   16   17  H6      H6      0.12  
211  333  1   76   77  H6      H6      0.12  
212  333  1   96   97  H6      H6      0.12  
213  333  1  116  117  H6      H6      0.12  
214  333  1  196  197  H6      H6      0.12  
215  246  1   27   28  "H2'"   H8      0.12  
216  246  1   47   48  "H2'"   H8      0.12  
217  246  1   67   68  "H2'"   H8      0.12  
218  246  1   87   88  "H2'"   H8      0.12  
219  246  1  107  108  "H2'"   H8      0.12  
220  246  1  127  128  "H2'"   H8      0.12  
221  246  1  147  148  "H2'"   H8      0.12  
222  246  1  167  168  "H2'"   H8      0.12  
223  246  1  187  188  "H2'"   H8      0.12  
224  146  1  159  159  "H3'"   "H1'"   0.12  
225  146  1  179  179  "H3'"   "H1'"   0.12  
226  146  1  199  199  "H3'"   "H1'"   0.12  
227  143  1   38   38  "H3'"   "H1'"   0.12  
228  143  1   58   58  "H3'"   "H1'"   0.12  
229  143  1  138  138  "H3'"   "H1'"   0.12  
230   65  2   72   64  H1      N7      0.11  
231   65  2  112  104  H1      N7      0.11  
232   65  2  192  184  H1      N7      0.11  
233   58  2    2   14  O6      N2      0.11  
234   53  2   10    6  H21     O2      0.11  
235   53  2  150  146  H21     O2      0.11  
236   53  2  190  186  H21     O2      0.11  
237   47  2  145  151  O6      N3      0.11  
238   39  2   84   96  O6      N3      0.11  
239   39  2  164  176  O6      N3      0.11  
240   36  2   84   96  N2      O2      0.11  
241  403  1  100   96  HZ      H5      0.11  
242  383  1  100   96  HB1     H41     0.11  
243  374  1  180  171  HAH     H41     0.11  
244  369  1  100   91  HA1     "H2''"  0.11  
245  369  1  100   91  HA2     "H2''"  0.11  
246  369  1  100   91  HA3     "H2''"  0.11  
247  369  1  100   91  HAB     "H2''"  0.11  
248  369  1  100   91  HAG     "H2''"  0.11  
249  369  1  100   91  HAH     "H2''"  0.11  
250  369  1  100   91  HAI     "H2''"  0.11  
251  369  1  100   91  HAM     "H2''"  0.11  
252  333  1   56   57  H6      H6      0.11  
253  146  1   19   19  "H3'"   "H1'"   0.11  
254  146  1   39   39  "H3'"   "H1'"   0.11  
255  146  1   59   59  "H3'"   "H1'"   0.11  
256  146  1   79   79  "H3'"   "H1'"   0.11  
257  146  1   99   99  "H3'"   "H1'"   0.11  
258  146  1  139  139  "H3'"   "H1'"   0.11  
259  143  1   78   78  "H3'"   "H1'"   0.11  
260  143  1   98   98  "H3'"   "H1'"   0.11  
261  143  1  118  118  "H3'"   "H1'"   0.11  
262  143  1  158  158  "H3'"   "H1'"   0.11  
263  143  1  178  178  "H3'"   "H1'"   0.11  
264  143  1  198  198  "H3'"   "H1'"   0.11  
265  120  1   53   53  "H3'"   H8      0.11  
266  120  1   93   93  "H3'"   H8      0.11  
267  120  1  173  173  "H3'"   H8      0.11  
#
loop_
_pdbx_vrpt_dihedralangle_violations_summary.ordinal
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
_pdbx_vrpt_dihedralangle_violations_summary.restraints_count
_pdbx_vrpt_dihedralangle_violations_summary.percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_count
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_type
_pdbx_vrpt_dihedralangle_violations_summary.violated_count
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_type
1  BETA     17   18.3  1  1.1  5.9  1  1.1  5.9  
2  GAMMA    15   16.1  0  0.0  0.0  0  0.0  0.0  
3  NU1      19   20.4  0  0.0  0.0  0  0.0  0.0  
4  EPSILON   4    4.3  0  0.0  0.0  0  0.0  0.0  
5  NU2      19   20.4  1  1.1  5.3  1  1.1  5.3  
6  CHI      19   20.4  1  1.1  5.3  1  1.1  5.3  
7  Total    93  100.0  3  3.2  3.2  3  3.2  3.2  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  4.70  3.37  2.80  0.95  
 2   2  4.20  3.07  2.70  0.82  
 3   3  4.60  3.37  3.10  0.92  
 4   4  4.10  2.80  2.30  0.93  
 5   5  3.80  3.13  3.00  0.50  
 6   6  4.70  3.50  3.00  0.85  
 7   7  4.70  3.60  3.10  0.78  
 8   8  3.90  3.30  3.20  0.45  
 9   9  4.30  3.23  2.90  0.77  
10  10  4.40  3.07  2.60  0.96  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  BETA     1  
 2   1  GAMMA    0  
 3   1  NU1      0  
 4   1  EPSILON  0  
 5   1  NU2      1  
 6   1  CHI      1  
 7   1  Total    3  
 8   2  BETA     1  
 9   2  GAMMA    0  
10   2  NU1      0  
11   2  EPSILON  0  
12   2  NU2      1  
13   2  CHI      1  
14   2  Total    3  
15   3  BETA     1  
16   3  GAMMA    0  
17   3  NU1      0  
18   3  EPSILON  0  
19   3  NU2      1  
20   3  CHI      1  
21   3  Total    3  
22   4  BETA     1  
23   4  GAMMA    0  
24   4  NU1      0  
25   4  EPSILON  0  
26   4  NU2      1  
27   4  CHI      1  
28   4  Total    3  
29   5  BETA     1  
30   5  GAMMA    0  
31   5  NU1      0  
32   5  EPSILON  0  
33   5  NU2      1  
34   5  CHI      1  
35   5  Total    3  
36   6  BETA     1  
37   6  GAMMA    0  
38   6  NU1      0  
39   6  EPSILON  0  
40   6  NU2      1  
41   6  CHI      1  
42   6  Total    3  
43   7  BETA     1  
44   7  GAMMA    0  
45   7  NU1      0  
46   7  EPSILON  0  
47   7  NU2      1  
48   7  CHI      1  
49   7  Total    3  
50   8  BETA     1  
51   8  GAMMA    0  
52   8  NU1      0  
53   8  EPSILON  0  
54   8  NU2      1  
55   8  CHI      1  
56   8  Total    3  
57   9  BETA     1  
58   9  GAMMA    0  
59   9  NU1      0  
60   9  EPSILON  0  
61   9  NU2      1  
62   9  CHI      1  
63   9  Total    3  
64  10  BETA     1  
65  10  GAMMA    0  
66  10  NU1      0  
67  10  EPSILON  0  
68  10  NU2      1  
69  10  CHI      1  
70  10  Total    3  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1   10.0  
 2   2   20.0  
 3   3   30.0  
 4   4   40.0  
 5   5   50.0  
 6   6   60.0  
 7   7   70.0  
 8   8   80.0  
 9   9   90.0  
10  10  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  BETA     0  
 2   1  GAMMA    0  
 3   1  NU1      0  
 4   1  EPSILON  0  
 5   1  NU2      0  
 6   1  CHI      0  
 7   1  Total    0  
 8   2  BETA     0  
 9   2  GAMMA    0  
10   2  NU1      0  
11   2  EPSILON  0  
12   2  NU2      0  
13   2  CHI      0  
14   2  Total    0  
15   3  BETA     0  
16   3  GAMMA    0  
17   3  NU1      0  
18   3  EPSILON  0  
19   3  NU2      0  
20   3  CHI      0  
21   3  Total    0  
22   4  BETA     0  
23   4  GAMMA    0  
24   4  NU1      0  
25   4  EPSILON  0  
26   4  NU2      0  
27   4  CHI      0  
28   4  Total    0  
29   5  BETA     0  
30   5  GAMMA    0  
31   5  NU1      0  
32   5  EPSILON  0  
33   5  NU2      0  
34   5  CHI      0  
35   5  Total    0  
36   6  BETA     0  
37   6  GAMMA    0  
38   6  NU1      0  
39   6  EPSILON  0  
40   6  NU2      0  
41   6  CHI      0  
42   6  Total    0  
43   7  BETA     0  
44   7  GAMMA    0  
45   7  NU1      0  
46   7  EPSILON  0  
47   7  NU2      0  
48   7  CHI      0  
49   7  Total    0  
50   8  BETA     0  
51   8  GAMMA    0  
52   8  NU1      0  
53   8  EPSILON  0  
54   8  NU2      0  
55   8  CHI      0  
56   8  Total    0  
57   9  BETA     0  
58   9  GAMMA    0  
59   9  NU1      0  
60   9  EPSILON  0  
61   9  NU2      0  
62   9  CHI      0  
63   9  Total    0  
64  10  BETA     1  
65  10  GAMMA    0  
66  10  NU1      0  
67  10  EPSILON  0  
68  10  NU2      1  
69  10  CHI      1  
70  10  Total    3  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0   4.7   3.0   
2  10.0-20.0  None  None  
3  >20.0      None  None  
#
loop_
_pdbx_vrpt_most_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_most_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.violated_models
_pdbx_vrpt_most_violated_dihedralangle_restraints.mean_angle_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.median_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.standard_deviation
1  70  1  .  A  17  DC  ?     1  A  17  "C1'"  A  .  17  DC  17  A  1  ?     "C2'"  .  A  17  DC  ?     1  A  17  "C3'"  A  .  17  DC  17  A  1  ?     "C4'"  10  4.34  4.35  0.32  
2  79  1  .  A   5  DG  ?     1  A   5  "O4'"  A  .   5  DG   5  A  1  ?     "C1'"  .  A   5  DG  ?     1  A   5  N9     A  .   5  DG   5  A  1  ?     C4     10  2.75  2.85  0.34  
3  29  1  .  A  12  DG  ?     1  A  12  P      A  .  12  DG  12  A  1  ?     "O5'"  .  A  12  DG  ?     1  A  12  "C5'"  A  .  12  DG  12  A  1  ?     "C4'"  10  2.64  2.60  0.31  
#
loop_
_pdbx_vrpt_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_1
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_2
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_3
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_4
_pdbx_vrpt_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_violated_dihedralangle_restraints.violation
 1  70  1   17   17   17   17  "C1'"  "C2'"  "C3'"  "C4'"  4.70  
 2  70  1  117  117  117  117  "C1'"  "C2'"  "C3'"  "C4'"  4.70  
 3  70  1  137  137  137  137  "C1'"  "C2'"  "C3'"  "C4'"  4.70  
 4  70  1   57   57   57   57  "C1'"  "C2'"  "C3'"  "C4'"  4.60  
 5  70  1  197  197  197  197  "C1'"  "C2'"  "C3'"  "C4'"  4.40  
 6  70  1  177  177  177  177  "C1'"  "C2'"  "C3'"  "C4'"  4.30  
 7  70  1   37   37   37   37  "C1'"  "C2'"  "C3'"  "C4'"  4.20  
 8  70  1   77   77   77   77  "C1'"  "C2'"  "C3'"  "C4'"  4.10  
 9  70  1  157  157  157  157  "C1'"  "C2'"  "C3'"  "C4'"  3.90  
10  70  1   97   97   97   97  "C1'"  "C2'"  "C3'"  "C4'"  3.80  
11  29  1  152  152  152  152  P      "O5'"  "C5'"  "C4'"  3.20  
12  79  1   45   45   45   45  "O4'"  "C1'"  N9     C4     3.10  
13  29  1  132  132  132  132  P      "O5'"  "C5'"  "C4'"  3.10  
14  79  1   85   85   85   85  "O4'"  "C1'"  N9     C4     3.00  
15  79  1  105  105  105  105  "O4'"  "C1'"  N9     C4     3.00  
16  79  1  125  125  125  125  "O4'"  "C1'"  N9     C4     3.00  
17  79  1  165  165  165  165  "O4'"  "C1'"  N9     C4     2.90  
18  79  1    5    5    5    5  "O4'"  "C1'"  N9     C4     2.80  
19  79  1  145  145  145  145  "O4'"  "C1'"  N9     C4     2.80  
20  29  1  112  112  112  112  P      "O5'"  "C5'"  "C4'"  2.80  
21  29  1   32   32   32   32  P      "O5'"  "C5'"  "C4'"  2.70  
22  79  1  185  185  185  185  "O4'"  "C1'"  N9     C4     2.60  
23  29  1   12   12   12   12  P      "O5'"  "C5'"  "C4'"  2.60  
24  29  1   92   92   92   92  P      "O5'"  "C5'"  "C4'"  2.60  
25  29  1  172  172  172  172  P      "O5'"  "C5'"  "C4'"  2.50  
26  29  1   52   52   52   52  P      "O5'"  "C5'"  "C4'"  2.40  
27  79  1   25   25   25   25  "O4'"  "C1'"  N9     C4     2.30  
28  29  1   72   72   72   72  P      "O5'"  "C5'"  "C4'"  2.30  
29  29  1  192  192  192  192  P      "O5'"  "C5'"  "C4'"  2.20  
30  79  1   65   65   65   65  "O4'"  "C1'"  N9     C4     2.00  
#
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  
##
