data_2N96

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2N96   
BMRB  25882  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2N96
_pdbx_vrpt_summary.PDB_deposition_date         2015-11-07
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2021-11-03
_pdbx_vrpt_summary.report_creation_date        2021-10-26:20:05
_pdbx_vrpt_summary.attempted_validation_steps  mogul,buster-report,molprobity,validation-pack,coreclust,chemicalshifts,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(*GP*CP*TP*AP*TP*AP*GP*C)-3')"  
2  non-polymer  "(1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11 '-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino -hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  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  96.12  158937  ?     ?     
2  2  1  84.59   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  X  3.76  2.89   180   276  
 2  1  1  B  Y  3.99  3.11   180   276  
 3  1  2  C  Y     ?     ?     ?     ?  
 4  2  1  A  X  3.93  3.28   180   276  
 5  2  1  B  Y  4.10  3.28   180   276  
 6  2  2  C  Y     ?     ?     ?     ?  
 7  3  1  A  X  3.75  3.28   180   276  
 8  3  1  B  Y  4.66  3.14   180   276  
 9  3  2  C  Y     ?     ?     ?     ?  
10  4  1  A  X  4.31  3.40   180   276  
11  4  1  B  Y  4.19  3.46   180   276  
12  4  2  C  Y     ?     ?     ?     ?  
13  5  1  A  X  3.87  3.49   180   276  
14  5  1  B  Y  3.97  3.28   180   276  
15  5  2  C  Y     ?     ?     ?     ?  
16  6  1  A  X  3.82  3.50   180   276  
17  6  1  B  Y  4.35  3.39   180   276  
18  6  2  C  Y     ?     ?     ?     ?  
#
_pdbx_vrpt_summary_geometry.ordinal                 1
_pdbx_vrpt_summary_geometry.clashscore              0.84
_pdbx_vrpt_summary_geometry.clashscore_full_length  0.84
_pdbx_vrpt_summary_geometry.num_H_reduce            1064
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ          2160
_pdbx_vrpt_summary_geometry.bonds_RMSZ              3.30
_pdbx_vrpt_summary_geometry.num_angles_RMSZ         3312
_pdbx_vrpt_summary_geometry.angles_RMSZ             4.07
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              47.78
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  47.78
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_bond_outliers
_pdbx_vrpt_model_instance.count_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_chiral_outliers
_pdbx_vrpt_model_instance.count_plane_outliers
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A  1  DG   X    1  .  ?        4     6     ?     ?     ?     ?     ?     ?  
  2  1  1  A  2  DC   X    2  .  ?        2     5     ?     ?     1     ?     ?     ?  
  3  1  1  A  3  DT   X    3  .  ?        1     6     1     ?     1     ?     ?     ?  
  4  1  1  A  4  DA   X    4  .  ?        1     4     1     ?     1     ?     ?     ?  
  5  1  1  A  5  DT   X    5  .  ?        3     8     ?     ?     1     ?     ?     ?  
  6  1  1  A  6  DA   X    6  .  ?        4     4     ?     ?     ?     ?     ?     ?  
  7  1  1  A  7  DG   X    7  .  ?        2    10     ?     ?     1     ?     ?     ?  
  8  1  1  A  8  DC   X    8  .  ?        1     4     ?     ?     1     ?     ?     ?  
  9  1  1  B  1  DG   Y    9  .  ?        8     6     ?     ?     1     ?     ?     ?  
 10  1  1  B  2  DC   Y   10  .  ?        2     3     ?     ?     1     ?     ?     ?  
 11  1  1  B  3  DT   Y   11  .  ?        2     5     ?     ?     ?     ?     ?     ?  
 12  1  1  B  4  DA   Y   12  .  ?        2     9     ?     ?     1     ?     ?     ?  
 13  1  1  B  5  DT   Y   13  .  ?        2     5     ?     ?     1     ?     ?     ?  
 14  1  1  B  6  DA   Y   14  .  ?        6    10     ?     ?     ?     ?     ?     ?  
 15  1  1  B  7  DG   Y   15  .  ?        ?     8     ?     ?     1     ?     ?     ?  
 16  1  1  B  8  DC   Y   16  .  ?        2     3     ?     ?     1     ?     ?     ?  
 17  1  2  C  .  4JF  Y  101  .  ?        ?     ?     ?     3     ?    33    28    14  
 18  2  1  A  1  DG   X    1  .  ?        4     2     ?     ?     ?     ?     ?     ?  
 19  2  1  A  2  DC   X    2  .  ?        3     6     ?     ?     ?     ?     ?     ?  
 20  2  1  A  3  DT   X    3  .  ?        4     5     ?     ?     1     ?     ?     ?  
 21  2  1  A  4  DA   X    4  .  ?        2     6     ?     ?     1     ?     ?     ?  
 22  2  1  A  5  DT   X    5  .  ?        ?     4     ?     ?     1     ?     ?     ?  
 23  2  1  A  6  DA   X    6  .  ?        4    11     ?     ?     ?     ?     ?     ?  
 24  2  1  A  7  DG   X    7  .  ?        4     5     ?     ?     ?     ?     ?     ?  
 25  2  1  A  8  DC   X    8  .  ?        2     9     ?     ?     ?     ?     ?     ?  
 26  2  1  B  1  DG   Y    9  .  ?        4     3     ?     ?     ?     ?     ?     ?  
 27  2  1  B  2  DC   Y   10  .  ?        1     6     ?     ?     1     ?     ?     ?  
 28  2  1  B  3  DT   Y   11  .  ?        3     5     ?     ?     ?     ?     ?     ?  
 29  2  1  B  4  DA   Y   12  .  ?        5     9     ?     ?     1     ?     ?     ?  
 30  2  1  B  5  DT   Y   13  .  ?        1     7     ?     ?     1     ?     ?     ?  
 31  2  1  B  6  DA   Y   14  .  ?        3     6     ?     ?     ?     ?     ?     ?  
 32  2  1  B  7  DG   Y   15  .  ?        1    10     ?     ?     1     ?     ?     ?  
 33  2  1  B  8  DC   Y   16  .  ?        2     2     ?     ?     ?     ?     ?     ?  
 34  2  2  C  .  4JF  Y  101  .  ?        ?     ?     ?     3     ?    29    36    12  
 35  3  1  A  1  DG   X    1  .  ?        4     7     1     ?     1     ?     ?     ?  
 36  3  1  A  2  DC   X    2  .  ?        4     3     1     ?     ?     ?     ?     ?  
 37  3  1  A  3  DT   X    3  .  ?        3     5     ?     ?     1     ?     ?     ?  
 38  3  1  A  4  DA   X    4  .  ?        5     5     ?     ?     1     ?     ?     ?  
 39  3  1  A  5  DT   X    5  .  ?        3     1     ?     ?     ?     ?     ?     ?  
 40  3  1  A  6  DA   X    6  .  ?        1     5     ?     ?     ?     ?     ?     ?  
 41  3  1  A  7  DG   X    7  .  ?        5     8     ?     ?     1     ?     ?     ?  
 42  3  1  A  8  DC   X    8  .  ?        ?     5     ?     ?     1     ?     ?     ?  
 43  3  1  B  1  DG   Y    9  .  ?        2     7     ?     ?     1     ?     ?     ?  
 44  3  1  B  2  DC   Y   10  .  ?        2     5     ?     ?     1     ?     ?     ?  
 45  3  1  B  3  DT   Y   11  .  ?        4     8     ?     ?     ?     ?     ?     ?  
 46  3  1  B  4  DA   Y   12  .  ?        2     8     ?     ?     1     ?     ?     ?  
 47  3  1  B  5  DT   Y   13  .  ?        ?    11     ?     ?     1     ?     ?     ?  
 48  3  1  B  6  DA   Y   14  .  ?        6     8     ?     ?     1     ?     ?     ?  
 49  3  1  B  7  DG   Y   15  .  ?        2     8     ?     ?     1     ?     ?     ?  
 50  3  1  B  8  DC   Y   16  .  ?        3     6     ?     ?     ?     ?     ?     ?  
 51  3  2  C  .  4JF  Y  101  .  ?        ?     ?     ?     3     ?    37    30     9  
 52  4  1  A  1  DG   X    1  .  ?        2     2     ?     ?     1     ?     ?     ?  
 53  4  1  A  2  DC   X    2  .  ?        1     4     ?     ?     ?     ?     ?     ?  
 54  4  1  A  3  DT   X    3  .  ?        3     7     ?     ?     ?     ?     ?     ?  
 55  4  1  A  4  DA   X    4  .  ?        7    11     ?     ?     ?     ?     ?     ?  
 56  4  1  A  5  DT   X    5  .  ?        2     7     ?     ?     1     ?     ?     ?  
 57  4  1  A  6  DA   X    6  .  ?        3     8     ?     ?     ?     ?     ?     ?  
 58  4  1  A  7  DG   X    7  .  ?        6    10     ?     ?     1     ?     ?     ?  
 59  4  1  A  8  DC   X    8  .  ?        1     5     ?     ?     1     ?     ?     ?  
 60  4  1  B  1  DG   Y    9  .  ?        5     7     ?     ?     1     ?     ?     ?  
 61  4  1  B  2  DC   Y   10  .  ?        1     2     ?     ?     1     ?     ?     ?  
 62  4  1  B  3  DT   Y   11  .  ?        4     6     ?     ?     1     ?     ?     ?  
 63  4  1  B  4  DA   Y   12  .  ?        5    12     ?     ?     1     ?     ?     ?  
 64  4  1  B  5  DT   Y   13  .  ?        2     8     ?     ?     1     ?     ?     ?  
 65  4  1  B  6  DA   Y   14  .  ?        4     8     ?     ?     1     ?     ?     ?  
 66  4  1  B  7  DG   Y   15  .  ?        5    10     ?     ?     1     ?     ?     ?  
 67  4  1  B  8  DC   Y   16  .  ?        2     5     ?     ?     1     ?     ?     ?  
 68  4  2  C  .  4JF  Y  101  .  ?        ?     ?     ?     3     ?    30    38    13  
 69  5  1  A  1  DG   X    1  .  ?        2     9     ?     ?     ?     ?     ?     ?  
 70  5  1  A  2  DC   X    2  .  ?        ?     5     ?     ?     ?     ?     ?     ?  
 71  5  1  A  3  DT   X    3  .  ?        3     2     ?     ?     1     ?     ?     ?  
 72  5  1  A  4  DA   X    4  .  ?        4     9     ?     ?     1     ?     ?     ?  
 73  5  1  A  5  DT   X    5  .  ?        5     6     ?     ?     1     ?     ?     ?  
 74  5  1  A  6  DA   X    6  .  ?        4     8     ?     ?     ?     ?     ?     ?  
 75  5  1  A  7  DG   X    7  .  ?        4     6     ?     ?     1     ?     ?     ?  
 76  5  1  A  8  DC   X    8  .  ?        2     4     ?     ?     ?     ?     ?     ?  
 77  5  1  B  1  DG   Y    9  .  ?        1     6     ?     ?     1     ?     ?     ?  
 78  5  1  B  2  DC   Y   10  .  ?        2     5     ?     ?     ?     ?     ?     ?  
 79  5  1  B  3  DT   Y   11  .  ?        4     9     ?     ?     ?     ?     ?     ?  
 80  5  1  B  4  DA   Y   12  .  ?        2     3     ?     ?     1     ?     ?     ?  
 81  5  1  B  5  DT   Y   13  .  ?        3     7     ?     ?     ?     ?     ?     ?  
 82  5  1  B  6  DA   Y   14  .  ?        4     6     ?     ?     ?     ?     ?     ?  
 83  5  1  B  7  DG   Y   15  .  ?        5     4     ?     ?     ?     ?     ?     ?  
 84  5  1  B  8  DC   Y   16  .  ?        3    11     ?     ?     ?     ?     ?     ?  
 85  5  2  C  .  4JF  Y  101  .  ?        ?     ?     ?     3     ?    28    30    12  
 86  6  1  A  1  DG   X    1  .  ?        4     7     ?     ?     1     ?     ?     ?  
 87  6  1  A  2  DC   X    2  .  ?        5     6     ?     ?     1     ?     ?     ?  
 88  6  1  A  3  DT   X    3  .  ?        2     6     ?     ?     1     ?     ?     ?  
 89  6  1  A  4  DA   X    4  .  ?        4     6     ?     ?     1     ?     ?     ?  
 90  6  1  A  5  DT   X    5  .  ?        2     4     ?     ?     1     ?     ?     ?  
 91  6  1  A  6  DA   X    6  .  ?        3     6     ?     ?     ?     ?     ?     ?  
 92  6  1  A  7  DG   X    7  .  ?        5     5     ?     ?     ?     ?     ?     ?  
 93  6  1  A  8  DC   X    8  .  ?        2     2     ?     ?     ?     ?     ?     ?  
 94  6  1  B  1  DG   Y    9  .  ?        3     3     1     ?     ?     ?     ?     ?  
 95  6  1  B  2  DC   Y   10  .  ?        3     5     1     ?     ?     ?     ?     ?  
 96  6  1  B  3  DT   Y   11  .  ?        7     5     ?     ?     ?     ?     ?     ?  
 97  6  1  B  4  DA   Y   12  .  ?        2     8     ?     ?     1     ?     ?     ?  
 98  6  1  B  5  DT   Y   13  .  ?        4     9     ?     ?     ?     ?     ?     ?  
 99  6  1  B  6  DA   Y   14  .  ?        1    11     ?     ?     ?     ?     ?     ?  
100  6  1  B  7  DG   Y   15  .  ?        5     7     ?     ?     1     ?     ?     ?  
101  6  1  B  8  DC   Y   16  .  ?        ?     6     ?     ?     ?     ?     ?     ?  
102  6  2  C  .  4JF  Y  101  .  ?        ?     ?     ?     3     ?    29    33    10  
#
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.ligand_chirality_outlier
_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    10  ?      22  3.16   35  3.59  molprobity  
  2    2    11  ?      21  3.15   32  3.71  molprobity  
  3    3    12  ?      22  2.74   34  4.16  molprobity  
  4    4    11  ?      24  2.46   37  4.25  molprobity  
  5    5    12  ?      22  3.14   34  4.15  molprobity  
  6    6    11  ?      24  3.47   37  3.01  molprobity  
  7    7     9  ?      25  2.75   39  3.86  molprobity  
  8    8    12  ?      20  1.85   28  3.02  molprobity  
  9    9    10  ?      22  4.21   35  4.78  molprobity  
 10   10    11  ?      21  2.78   32  2.62  molprobity  
 11   11    12  ?      22  2.61   34  3.54  molprobity  
 12   12    11  ?      24  2.32   37  4.14  molprobity  
 13   13    12  ?      22  3.18   34  3.74  molprobity  
 14   14    11  ?      24  3.91   37  5.09  molprobity  
 15   15    11  ?      25  2.20   39  3.81  molprobity  
 16   16    12  ?      20  3.14   28  3.34  molprobity  
 17   17     ?  Y     100  3.47  112  4.99  mogul       
 18   18    10  ?      22  3.85   35  3.08  molprobity  
 19   19    11  ?      21  3.40   32  3.61  molprobity  
 20   20    12  ?      22  3.39   34  3.19  molprobity  
 21   21     9  ?      24  3.08   37  4.34  molprobity  
 22   22    12  ?      22  1.87   34  3.17  molprobity  
 23   23    11  ?      24  3.27   37  5.13  molprobity  
 24   24    11  ?      25  3.83   39  3.49  molprobity  
 25   25    12  ?      20  3.06   28  4.91  molprobity  
 26   26    12  ?      22  3.50   35  3.24  molprobity  
 27   27     9  ?      21  2.26   32  4.84  molprobity  
 28   28    12  ?      22  3.62   34  3.33  molprobity  
 29   29    11  ?      24  3.47   37  4.35  molprobity  
 30   30    12  ?      22  3.12   34  4.63  molprobity  
 31   31    11  ?      24  3.91   37  3.77  molprobity  
 32   32    11  ?      25  3.06   39  4.76  molprobity  
 33   33    12  ?      20  2.87   28  3.38  molprobity  
 34   34     ?  Y     100  3.31  112  5.01  mogul       
 35   35    10  ?      22  3.22   35  4.04  molprobity  
 36   36    11  ?      21  3.01   32  3.28  molprobity  
 37   37    12  ?      22  3.52   34  3.85  molprobity  
 38   38    11  ?      24  3.99   37  2.69  molprobity  
 39   39    12  ?      22  3.15   34  2.85  molprobity  
 40   40    11  ?      24  2.47   37  4.69  molprobity  
 41   41     8  ?      25  3.89   39  3.91  molprobity  
 42   42    12  ?      20  2.47   28  4.24  molprobity  
 43   43    12  ?      22  2.59   35  4.23  molprobity  
 44   44    11  ?      21  3.19   32  3.87  molprobity  
 45   45    12  ?      22  3.35   34  3.52  molprobity  
 46   46    11  ?      24  2.70   37  5.02  molprobity  
 47   47    12  ?      22  2.03   34  4.61  molprobity  
 48   48    11  ?      24  4.19   37  5.32  molprobity  
 49   49    11  ?      25  2.73   39  4.38  molprobity  
 50   50    10  ?      20  3.81   28  6.04  molprobity  
 51   51     ?  Y     100  3.36  112  5.06  mogul       
 52   52    12  ?      22  3.35   35  2.99  molprobity  
 53   53     9  ?      21  2.76   32  3.02  molprobity  
 54   54    12  ?      22  2.90   34  4.02  molprobity  
 55   55    11  ?      24  4.41   37  4.46  molprobity  
 56   56    12  ?      22  2.76   34  5.08  molprobity  
 57   57    11  ?      24  3.00   37  4.71  molprobity  
 58   58     9  ?      25  4.29   39  4.83  molprobity  
 59   59    10  ?      20  3.03   28  4.73  molprobity  
 60   60    12  ?      22  3.63   35  4.73  molprobity  
 61   61    11  ?      21  2.80   32  3.20  molprobity  
 62   62    12  ?      22  3.34   34  4.09  molprobity  
 63   63    11  ?      24  3.92   37  5.50  molprobity  
 64   64    12  ?      22  2.74   34  4.11  molprobity  
 65   65    11  ?      24  3.70   37  3.79  molprobity  
 66   66    11  ?      25  3.63   39  3.86  molprobity  
 67   67    12  ?      20  3.59   28  3.61  molprobity  
 68   68     ?  Y     100  3.35  112  4.90  mogul       
 69   69    10  ?      22  3.13   35  4.10  molprobity  
 70   70    11  ?      21  2.42   32  4.39  molprobity  
 71   71    12  ?      22  3.42   34  3.48  molprobity  
 72   72    11  ?      24  3.27   37  4.60  molprobity  
 73   73    12  ?      22  3.73   34  3.17  molprobity  
 74   74    11  ?      24  4.54   37  3.99  molprobity  
 75   75     9  ?      25  3.58   39  3.39  molprobity  
 76   76    12  ?      20  3.36   28  3.60  molprobity  
 77   77    12  ?      22  2.75   35  4.53  molprobity  
 78   78     9  ?      21  3.52   32  4.71  molprobity  
 79   79    12  ?      22  3.69   34  3.98  molprobity  
 80   80    11  ?      24  3.24   37  2.82  molprobity  
 81   81    12  ?      22  2.99   34  3.94  molprobity  
 82   82    11  ?      24  3.23   37  3.66  molprobity  
 83   83    11  ?      25  3.25   39  2.97  molprobity  
 84   84    10  ?      20  3.49   28  5.10  molprobity  
 85   85     ?  Y     100  3.45  112  5.14  mogul       
 86   86    10  ?      22  3.52   35  4.13  molprobity  
 87   87    11  ?      21  3.93   32  4.81  molprobity  
 88   88    12  ?      22  3.05   34  3.87  molprobity  
 89   89    11  ?      24  3.67   37  3.85  molprobity  
 90   90    12  ?      22  3.36   34  3.14  molprobity  
 91   91    11  ?      24  3.09   37  4.49  molprobity  
 92   92     9  ?      25  3.93   39  3.17  molprobity  
 93   93    12  ?      20  3.30   28  2.34  molprobity  
 94   94    12  ?      22  3.71   35  3.02  molprobity  
 95   95     9  ?      21  2.79   32  3.80  molprobity  
 96   96    12  ?      22  3.82   34  3.66  molprobity  
 97   97    11  ?      24  3.24   37  4.47  molprobity  
 98   98    12  ?      22  3.73   34  4.93  molprobity  
 99   99    11  ?      24  3.11   37  4.40  molprobity  
100  100    10  ?      25  3.88   39  5.38  molprobity  
101  101    12  ?      20  2.41   28  4.51  molprobity  
102  102     ?  Y     100  3.23  112  5.17  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  C4     1  0.43  3.07  
2   4  C6     1  0.43  3.07  
3  35  "H1'"  2  0.42  2.50  
4  36  C5     2  0.42  2.50  
5  94  "H1'"  3  0.41  2.50  
6  95  C6     3  0.41  2.50  
#
loop_
_pdbx_vrpt_instance_stereo_outliers.ordinal
_pdbx_vrpt_instance_stereo_outliers.instance_id
_pdbx_vrpt_instance_stereo_outliers.label_atom_id
_pdbx_vrpt_instance_stereo_outliers.problem
 1   17  C20  PLANAR  
 2   17  C57  PLANAR  
 3   17  C66  PLANAR  
 4   34  C20  PLANAR  
 5   34  C57  PLANAR  
 6   34  C66  PLANAR  
 7   51  C20  PLANAR  
 8   51  C57  PLANAR  
 9   51  C66  PLANAR  
10   68  C20  PLANAR  
11   68  C57  PLANAR  
12   68  C66  PLANAR  
13   85  C20  PLANAR  
14   85  C57  PLANAR  
15   85  C66  PLANAR  
16  102  C20  PLANAR  
17  102  C57  PLANAR  
18  102  C66  PLANAR  
#
loop_
_pdbx_vrpt_instance_intra_plane_outliers.ordinal
_pdbx_vrpt_instance_intra_plane_outliers.instance_id
_pdbx_vrpt_instance_intra_plane_outliers.type
_pdbx_vrpt_instance_intra_plane_outliers.plane_rmsd
 1    2  sidechain  0.10  
 2    3  sidechain  0.07  
 3    4  sidechain  0.10  
 4    5  sidechain  0.12  
 5    7  sidechain  0.07  
 6    8  sidechain  0.10  
 7    9  sidechain  0.08  
 8   10  sidechain  0.08  
 9   12  sidechain  0.06  
10   13  sidechain  0.10  
11   15  sidechain  0.07  
12   16  sidechain  0.10  
13   20  sidechain  0.09  
14   21  sidechain  0.15  
15   22  sidechain  0.07  
16   27  sidechain  0.11  
17   29  sidechain  0.08  
18   30  sidechain  0.07  
19   32  sidechain  0.10  
20   35  sidechain  0.06  
21   37  sidechain  0.13  
22   38  sidechain  0.11  
23   41  sidechain  0.09  
24   42  sidechain  0.09  
25   43  sidechain  0.08  
26   44  sidechain  0.11  
27   46  sidechain  0.11  
28   47  sidechain  0.10  
29   48  sidechain  0.08  
30   49  sidechain  0.08  
31   52  sidechain  0.07  
32   56  sidechain  0.09  
33   58  sidechain  0.07  
34   59  sidechain  0.08  
35   60  sidechain  0.09  
36   61  sidechain  0.10  
37   62  sidechain  0.08  
38   63  sidechain  0.06  
39   64  sidechain  0.09  
40   65  sidechain  0.07  
41   66  sidechain  0.09  
42   67  sidechain  0.09  
43   71  sidechain  0.12  
44   72  sidechain  0.13  
45   73  sidechain  0.14  
46   75  sidechain  0.09  
47   77  sidechain  0.09  
48   80  sidechain  0.16  
49   86  sidechain  0.07  
50   87  sidechain  0.12  
51   88  sidechain  0.09  
52   89  sidechain  0.14  
53   90  sidechain  0.09  
54   97  sidechain  0.12  
55  100  sidechain  0.06  
#
loop_
_pdbx_vrpt_instance_intra_bond_outliers.ordinal
_pdbx_vrpt_instance_intra_bond_outliers.instance_id
_pdbx_vrpt_instance_intra_bond_outliers.atom_1
_pdbx_vrpt_instance_intra_bond_outliers.atom_2
_pdbx_vrpt_instance_intra_bond_outliers.obs
_pdbx_vrpt_instance_intra_bond_outliers.mean
_pdbx_vrpt_instance_intra_bond_outliers.stdev
_pdbx_vrpt_instance_intra_bond_outliers.Z
_pdbx_vrpt_instance_intra_bond_outliers.link
  1    1  C2     N2     1.284  1.341  0.010   -5.68  ?     
  2    1  "C3'"  "C2'"  1.585  1.518  0.012    5.60  ?     
  3    1  "C4'"  "C3'"  1.586  1.529  0.010    5.74  ?     
  4    1  N9     C8     1.412  1.374  0.007    5.37  ?     
  5    2  C4     C5     1.479  1.425  0.008    6.77  ?     
  6    2  N1     C6     1.415  1.367  0.006    7.98  ?     
  7    3  N1     C6     1.340  1.378  0.007   -5.46  ?     
  8    4  C6     N1     1.297  1.351  0.007   -7.72  ?     
  9    5  "O3'"  P      1.539  1.607  0.012   -5.69  Y     
 10    5  C2     O2     1.269  1.220  0.008    6.18  ?     
 11    5  N1     C6     1.434  1.378  0.007    8.01  ?     
 12    6  "C2'"  "C1'"  1.580  1.519  0.010    6.07  ?     
 13    6  "C5'"  "C4'"  1.571  1.509  0.011    5.64  ?     
 14    6  N7     C5     1.459  1.388  0.006   11.89  ?     
 15    6  N9     C8     1.422  1.373  0.008    6.09  ?     
 16    7  C2     N2     1.262  1.341  0.010   -7.91  ?     
 17    7  N7     C5     1.423  1.388  0.006    5.88  ?     
 18    8  C4     C5     1.379  1.425  0.008   -5.77  ?     
 19    9  "C2'"  "C1'"  1.576  1.519  0.010    5.66  ?     
 20    9  C2     N2     1.226  1.341  0.010  -11.47  ?     
 21    9  C2     N3     1.364  1.323  0.008    5.15  ?     
 22    9  C6     N1     1.435  1.391  0.007    6.31  ?     
 23    9  C8     N7     1.337  1.305  0.006    5.34  ?     
 24    9  N1     C2     1.327  1.373  0.008   -5.79  ?     
 25    9  N7     C5     1.421  1.388  0.006    5.51  ?     
 26    9  N9     C4     1.326  1.375  0.008   -6.18  ?     
 27   10  "C2'"  "C1'"  1.466  1.518  0.010   -5.21  ?     
 28   10  C5     C6     1.391  1.339  0.008    6.54  ?     
 29   11  C5     C6     1.377  1.339  0.007    5.40  ?     
 30   11  N1     C6     1.424  1.378  0.007    6.61  ?     
 31   12  "C3'"  "C2'"  1.581  1.518  0.012    5.28  ?     
 32   12  "C4'"  "C3'"  1.583  1.529  0.010    5.39  ?     
 33   13  "C1'"  N1     1.587  1.488  0.013    7.59  ?     
 34   13  C5     C6     1.386  1.339  0.007    6.77  ?     
 35   14  "C2'"  "C1'"  1.590  1.519  0.010    7.14  ?     
 36   14  "C5'"  "C4'"  1.577  1.509  0.011    6.20  ?     
 37   14  C6     N1     1.308  1.351  0.007   -6.18  ?     
 38   14  N7     C5     1.439  1.388  0.006    8.47  ?     
 39   14  N9     C4     1.406  1.374  0.006    5.29  ?     
 40   14  P      "O5'"  1.647  1.593  0.010    5.39  ?     
 41   16  "C5'"  "C4'"  1.577  1.509  0.011    6.15  ?     
 42   16  N3     C4     1.390  1.335  0.007    7.87  ?     
 43   18  C2     N2     1.264  1.341  0.010   -7.70  ?     
 44   18  "C4'"  "C3'"  1.594  1.529  0.010    6.46  ?     
 45   18  C5     C6     1.488  1.419  0.010    6.87  ?     
 46   18  C8     N7     1.348  1.305  0.006    7.24  ?     
 47   19  C2     N3     1.305  1.353  0.008   -5.99  ?     
 48   19  N3     C4     1.295  1.335  0.007   -5.67  ?     
 49   19  P      "O5'"  1.671  1.593  0.010    7.82  ?     
 50   20  "C3'"  "O3'"  1.503  1.435  0.013    5.21  ?     
 51   20  C5     C7     1.537  1.496  0.006    6.79  ?     
 52   20  N1     C2     1.434  1.376  0.008    7.21  ?     
 53   20  N1     C6     1.334  1.378  0.007   -6.34  ?     
 54   21  C5     C6     1.453  1.406  0.009    5.18  ?     
 55   21  C6     N6     1.264  1.335  0.008   -8.87  ?     
 56   23  C5     C4     1.342  1.383  0.007   -5.89  ?     
 57   23  "C5'"  "C4'"  1.570  1.509  0.011    5.51  ?     
 58   23  C6     N1     1.313  1.351  0.007   -5.43  ?     
 59   23  C8     N7     1.250  1.311  0.007   -8.70  ?     
 60   24  "O3'"  P      1.720  1.607  0.012    9.41  Y     
 61   24  C8     N7     1.343  1.305  0.006    6.37  ?     
 62   24  N3     C4     1.394  1.350  0.007    6.26  ?     
 63   24  P      "O5'"  1.652  1.593  0.010    5.90  ?     
 64   25  "C5'"  "C4'"  1.568  1.509  0.011    5.36  ?     
 65   25  N1     C2     1.318  1.397  0.010   -7.89  ?     
 66   26  "C4'"  "C3'"  1.592  1.529  0.010    6.30  ?     
 67   26  "C4'"  "O4'"  1.371  1.446  0.010   -7.47  ?     
 68   26  "C5'"  "C4'"  1.574  1.509  0.011    5.93  ?     
 69   26  N7     C5     1.349  1.388  0.006   -6.54  ?     
 70   27  C4     N4     1.285  1.335  0.009   -5.54  ?     
 71   28  "O3'"  P      1.542  1.607  0.012   -5.45  Y     
 72   28  "C5'"  "C4'"  1.570  1.509  0.011    5.51  ?     
 73   28  P      "O5'"  1.475  1.593  0.010  -11.78  ?     
 74   29  C6     N1     1.312  1.351  0.007   -5.59  ?     
 75   29  N1     C2     1.294  1.339  0.009   -5.05  ?     
 76   29  N3     C4     1.311  1.344  0.006   -5.50  ?     
 77   29  N9     C4     1.407  1.374  0.006    5.51  ?     
 78   29  N9     C8     1.326  1.373  0.008   -5.82  ?     
 79   30  C5     C7     1.569  1.496  0.006   12.11  ?     
 80   31  N3     C4     1.409  1.344  0.006   10.87  ?     
 81   31  N7     C5     1.451  1.388  0.006   10.45  ?     
 82   31  P      "O5'"  1.535  1.593  0.010   -5.77  ?     
 83   32  C8     N7     1.353  1.305  0.006    8.06  ?     
 84   33  C2     O2     1.308  1.240  0.009    7.61  ?     
 85   33  "C4'"  "O4'"  1.390  1.446  0.010   -5.63  ?     
 86   35  C2     N2     1.280  1.341  0.010   -6.13  ?     
 87   35  C2     N3     1.370  1.323  0.008    5.86  ?     
 88   35  C5     C4     1.421  1.379  0.007    6.04  ?     
 89   35  N3     C4     1.389  1.350  0.007    5.54  ?     
 90   36  "C5'"  "C4'"  1.567  1.509  0.011    5.26  ?     
 91   36  C5     C6     1.382  1.339  0.008    5.41  ?     
 92   36  N1     C6     1.331  1.367  0.006   -6.06  ?     
 93   36  N3     C4     1.378  1.335  0.007    6.10  ?     
 94   37  "C4'"  "C3'"  1.582  1.529  0.010    5.26  ?     
 95   37  C5     C7     1.551  1.496  0.006    9.21  ?     
 96   37  N1     C2     1.432  1.376  0.008    6.96  ?     
 97   38  "C4'"  "O4'"  1.371  1.446  0.010   -7.54  ?     
 98   38  C8     N7     1.362  1.311  0.007    7.25  ?     
 99   38  N1     C2     1.279  1.339  0.009   -6.65  ?     
100   38  N7     C5     1.441  1.388  0.006    8.87  ?     
101   38  N9     C4     1.421  1.374  0.006    7.81  ?     
102   39  "C4'"  "O4'"  1.387  1.446  0.010   -5.90  ?     
103   39  C5     C7     1.541  1.496  0.006    7.46  ?     
104   39  P      "O5'"  1.645  1.593  0.010    5.17  ?     
105   40  "C5'"  "C4'"  1.571  1.509  0.011    5.64  ?     
106   41  C2     N2     1.284  1.341  0.010   -5.68  ?     
107   41  "C3'"  "O3'"  1.356  1.435  0.013   -6.06  ?     
108   41  "C4'"  "O4'"  1.389  1.446  0.010   -5.66  ?     
109   41  C6     N1     1.311  1.391  0.007  -11.46  ?     
110   41  N1     C2     1.331  1.373  0.008   -5.21  ?     
111   43  "C5'"  "C4'"  1.564  1.509  0.011    5.03  ?     
112   43  N3     C4     1.401  1.350  0.007    7.32  ?     
113   44  "C2'"  "C1'"  1.582  1.519  0.010    6.29  ?     
114   44  "C4'"  "O4'"  1.367  1.446  0.010   -7.85  ?     
115   45  C4     C5     1.493  1.445  0.009    5.29  ?     
116   45  C5     C7     1.529  1.496  0.006    5.56  ?     
117   45  N1     C6     1.422  1.378  0.007    6.28  ?     
118   45  N3     C4     1.337  1.382  0.008   -5.68  ?     
119   46  C6     N1     1.309  1.351  0.007   -6.04  ?     
120   46  N7     C5     1.429  1.388  0.006    6.84  ?     
121   48  "C3'"  "O3'"  1.345  1.435  0.013   -6.96  ?     
122   48  "C4'"  "C3'"  1.593  1.529  0.010    6.40  ?     
123   48  "C4'"  "O4'"  1.393  1.446  0.010   -5.30  ?     
124   48  C5     C4     1.307  1.383  0.007  -10.88  ?     
125   48  "C5'"  "C4'"  1.599  1.509  0.011    8.22  ?     
126   48  C6     N1     1.300  1.351  0.007   -7.29  ?     
127   49  C5     C4     1.417  1.379  0.007    5.42  ?     
128   49  N1     C2     1.315  1.373  0.008   -7.21  ?     
129   50  "C1'"  N1     1.564  1.488  0.013    5.86  ?     
130   50  C4     N4     1.274  1.335  0.009   -6.74  ?     
131   50  N3     C4     1.271  1.335  0.007   -9.10  ?     
132   52  C2     N3     1.380  1.323  0.008    7.07  ?     
133   52  C5     C6     1.480  1.419  0.010    6.12  ?     
134   53  C4     N4     1.287  1.335  0.009   -5.30  ?     
135   54  "C2'"  "C1'"  1.582  1.519  0.010    6.31  ?     
136   54  C2     N3     1.424  1.373  0.008    6.36  ?     
137   54  "C5'"  "C4'"  1.573  1.509  0.011    5.84  ?     
138   55  "C4'"  "C3'"  1.581  1.529  0.010    5.18  ?     
139   55  "C4'"  "O4'"  1.391  1.446  0.010   -5.47  ?     
140   55  C5     C4     1.455  1.383  0.007   10.22  ?     
141   55  "C5'"  "C4'"  1.578  1.509  0.011    6.23  ?     
142   55  C5     C6     1.350  1.406  0.009   -6.19  ?     
143   55  C8     N7     1.348  1.311  0.007    5.28  ?     
144   55  N3     C4     1.407  1.344  0.006   10.54  ?     
145   56  C5     C7     1.555  1.496  0.006    9.89  ?     
146   56  N1     C2     1.417  1.376  0.008    5.14  ?     
147   57  "C3'"  "C2'"  1.583  1.518  0.012    5.39  ?     
148   57  C6     N1     1.314  1.351  0.007   -5.24  ?     
149   57  N7     C5     1.439  1.388  0.006    8.57  ?     
150   58  C2     N2     1.224  1.341  0.010  -11.71  ?     
151   58  C2     N3     1.366  1.323  0.008    5.34  ?     
152   58  C6     N1     1.437  1.391  0.007    6.57  ?     
153   58  C8     N7     1.271  1.305  0.006   -5.67  ?     
154   58  N9     C4     1.335  1.375  0.008   -5.03  ?     
155   58  P      "O5'"  1.510  1.593  0.010   -8.28  ?     
156   59  C4     N4     1.278  1.335  0.009   -6.28  ?     
157   60  "C4'"  "O4'"  1.394  1.446  0.010   -5.15  ?     
158   60  C5     C6     1.473  1.419  0.010    5.43  ?     
159   60  N3     C4     1.389  1.350  0.007    5.60  ?     
160   60  N7     C5     1.420  1.388  0.006    5.27  ?     
161   60  N9     C8     1.414  1.374  0.007    5.69  ?     
162   61  "C4'"  "O4'"  1.371  1.446  0.010   -7.53  ?     
163   62  "O3'"  P      1.536  1.607  0.012   -5.91  Y     
164   62  "C2'"  "C1'"  1.580  1.519  0.010    6.08  ?     
165   62  C5     C6     1.394  1.339  0.007    7.79  ?     
166   62  P      "O5'"  1.649  1.593  0.010    5.59  ?     
167   63  "C3'"  "C2'"  1.446  1.518  0.012   -5.98  ?     
168   63  "C4'"  "O4'"  1.366  1.446  0.010   -7.95  ?     
169   63  C5     C4     1.340  1.383  0.007   -6.17  ?     
170   63  "C5'"  "C4'"  1.604  1.509  0.011    8.62  ?     
171   63  N7     C5     1.428  1.388  0.006    6.63  ?     
172   64  "C4'"  "C3'"  1.597  1.529  0.010    6.83  ?     
173   64  N1     C2     1.422  1.376  0.008    5.72  ?     
174   65  "O3'"  P      1.517  1.607  0.012   -7.47  Y     
175   65  C5     C6     1.463  1.406  0.009    6.37  ?     
176   65  N3     C4     1.393  1.344  0.006    8.10  ?     
177   65  N7     C5     1.444  1.388  0.006    9.33  ?     
178   66  C5     C4     1.335  1.379  0.007   -6.27  ?     
179   66  C6     O6     1.283  1.237  0.009    5.15  ?     
180   66  C8     N7     1.337  1.305  0.006    5.38  ?     
181   66  N3     C4     1.420  1.350  0.007   10.05  ?     
182   66  N9     C8     1.338  1.374  0.007   -5.18  ?     
183   67  "C5'"  "C4'"  1.615  1.509  0.011    9.61  ?     
184   67  N1     C6     1.406  1.367  0.006    6.49  ?     
185   69  "O3'"  P      1.715  1.607  0.012    8.98  Y     
186   69  C2     N2     1.285  1.341  0.010   -5.56  ?     
187   71  "O3'"  P      1.547  1.607  0.012   -5.02  Y     
188   71  "C4'"  "C3'"  1.468  1.521  0.010   -5.35  ?     
189   71  "C5'"  "C4'"  1.609  1.509  0.011    9.05  ?     
190   72  "C4'"  "O4'"  1.383  1.446  0.010   -6.28  ?     
191   72  N1     C2     1.289  1.339  0.009   -5.53  ?     
192   72  N3     C4     1.381  1.344  0.006    6.23  ?     
193   72  "O4'"  "C1'"  1.349  1.418  0.012   -5.73  ?     
194   73  "C2'"  "C1'"  1.453  1.518  0.010   -6.51  ?     
195   73  C2     N3     1.327  1.373  0.008   -5.70  ?     
196   73  C2     O2     1.277  1.220  0.008    7.07  ?     
197   73  N1     C2     1.417  1.376  0.008    5.17  ?     
198   73  P      "O5'"  1.678  1.593  0.010    8.53  ?     
199   74  "C4'"  "O4'"  1.365  1.446  0.010   -8.09  ?     
200   74  C5     C4     1.341  1.383  0.007   -5.96  ?     
201   74  N3     C4     1.413  1.344  0.006   11.55  ?     
202   74  N7     C5     1.442  1.388  0.006    9.04  ?     
203   75  C2     N2     1.259  1.341  0.010   -8.16  ?     
204   75  C8     N7     1.255  1.305  0.006   -8.31  ?     
205   75  N3     C4     1.389  1.350  0.007    5.56  ?     
206   75  N9     C8     1.337  1.374  0.007   -5.29  ?     
207   76  "C4'"  "O4'"  1.383  1.446  0.010   -6.31  ?     
208   76  N1     C2     1.306  1.397  0.010   -9.10  ?     
209   77  "C2'"  "C1'"  1.461  1.518  0.010   -5.75  ?     
210   78  C2     N3     1.394  1.353  0.008    5.17  ?     
211   78  C4     N4     1.249  1.335  0.009   -9.52  ?     
212   79  "C3'"  "O3'"  1.359  1.435  0.013   -5.86  ?     
213   79  N3     C4     1.435  1.382  0.008    6.69  ?     
214   79  "O4'"  "C1'"  1.344  1.418  0.012   -6.14  ?     
215   79  P      "O5'"  1.521  1.593  0.010   -7.23  ?     
216   80  N3     C4     1.397  1.344  0.006    8.79  ?     
217   80  N9     C4     1.343  1.374  0.006   -5.18  ?     
218   81  "C4'"  "C3'"  1.470  1.521  0.010   -5.14  ?     
219   81  "C5'"  "C4'"  1.577  1.509  0.011    6.14  ?     
220   81  N1     C2     1.417  1.376  0.008    5.11  ?     
221   82  "C3'"  "C2'"  1.456  1.518  0.012   -5.14  ?     
222   82  C6     N1     1.314  1.351  0.007   -5.34  ?     
223   82  C8     N7     1.268  1.311  0.007   -6.11  ?     
224   82  N9     C4     1.417  1.374  0.006    7.14  ?     
225   83  C2     N2     1.291  1.341  0.010   -5.00  ?     
226   83  C5     C4     1.423  1.379  0.007    6.22  ?     
227   83  "C5'"  "C4'"  1.585  1.509  0.011    6.88  ?     
228   83  C6     N1     1.338  1.391  0.007   -7.63  ?     
229   83  N7     C5     1.423  1.388  0.006    5.82  ?     
230   84  "C3'"  "O3'"  1.364  1.435  0.013   -5.47  ?     
231   84  C4     N4     1.230  1.335  0.009  -11.70  ?     
232   84  "C5'"  "C4'"  1.571  1.509  0.011    5.64  ?     
233   86  "O3'"  P      1.541  1.607  0.012   -5.46  Y     
234   86  C2     N2     1.284  1.341  0.010   -5.67  ?     
235   86  C6     N1     1.326  1.391  0.007   -9.30  ?     
236   86  N7     C5     1.420  1.388  0.006    5.39  ?     
237   87  "C2'"  "C1'"  1.576  1.519  0.010    5.69  ?     
238   87  C2     O2     1.184  1.240  0.009   -6.19  ?     
239   87  N1     C6     1.412  1.367  0.006    7.49  ?     
240   87  N3     C4     1.294  1.335  0.007   -5.87  ?     
241   87  P      "O5'"  1.669  1.593  0.010    7.58  ?     
242   88  "O3'"  P      1.546  1.607  0.012   -5.06  Y     
243   88  N3     C4     1.334  1.382  0.008   -5.96  ?     
244   89  "C5'"  "C4'"  1.568  1.509  0.011    5.41  ?     
245   89  C6     N1     1.310  1.351  0.007   -5.88  ?     
246   89  N3     C4     1.388  1.344  0.006    7.39  ?     
247   89  N9     C8     1.424  1.373  0.008    6.39  ?     
248   90  N1     C2     1.435  1.376  0.008    7.33  ?     
249   90  N1     C6     1.333  1.378  0.007   -6.41  ?     
250   91  C6     N1     1.389  1.351  0.007    5.41  ?     
251   91  N9     C4     1.341  1.374  0.006   -5.53  ?     
252   91  P      "O5'"  1.523  1.593  0.010   -6.99  ?     
253   92  "C2'"  "C1'"  1.592  1.519  0.010    7.29  ?     
254   92  C2     N2     1.276  1.341  0.010   -6.47  ?     
255   92  "C4'"  "O4'"  1.380  1.446  0.010   -6.57  ?     
256   92  N3     C4     1.427  1.350  0.007   11.03  ?     
257   92  N7     C5     1.420  1.388  0.006    5.28  ?     
258   93  "C4'"  "C3'"  1.621  1.529  0.010    9.25  ?     
259   93  "C5'"  "C4'"  1.575  1.509  0.011    5.97  ?     
260   94  "C4'"  "O4'"  1.396  1.446  0.010   -5.03  ?     
261   94  C6     N1     1.354  1.391  0.007   -5.27  ?     
262   94  N7     C5     1.451  1.388  0.006   10.42  ?     
263   95  C4     N4     1.290  1.335  0.009   -5.01  ?     
264   95  "C4'"  "O4'"  1.384  1.446  0.010   -6.22  ?     
265   95  N1     C6     1.406  1.367  0.006    6.53  ?     
266   96  "C2'"  "C1'"  1.452  1.518  0.010   -6.62  ?     
267   96  C2     N3     1.414  1.373  0.008    5.08  ?     
268   96  C2     O2     1.263  1.220  0.008    5.43  ?     
269   96  "C3'"  "O3'"  1.501  1.435  0.013    5.08  ?     
270   96  C4     C5     1.498  1.445  0.009    5.84  ?     
271   96  "C5'"  "C4'"  1.596  1.509  0.011    7.88  ?     
272   96  C5     C6     1.374  1.339  0.007    5.03  ?     
273   97  N3     C4     1.402  1.344  0.006    9.70  ?     
274   97  N9     C4     1.323  1.374  0.006   -8.46  ?     
275   98  C2     N3     1.420  1.373  0.008    5.92  ?     
276   98  C4     C5     1.504  1.445  0.009    6.56  ?     
277   98  "C5'"  "C4'"  1.593  1.509  0.011    7.68  ?     
278   98  C5     C6     1.277  1.339  0.007   -8.90  ?     
279   99  N1     C2     1.260  1.339  0.009   -8.73  ?     
280  100  "C3'"  "O3'"  1.364  1.435  0.013   -5.50  ?     
281  100  C5     C6     1.480  1.419  0.010    6.11  ?     
282  100  C8     N7     1.269  1.305  0.006   -5.97  ?     
283  100  N1     C2     1.309  1.373  0.008   -8.05  ?     
284  100  N9     C8     1.429  1.374  0.007    7.92  ?     
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
_pdbx_vrpt_instance_intra_angle_outliers.link
  1    1  C4     N9     "C1'"  119.623  126.500  1.300   -5.29  ?     
  2    1  C5     N7     C8     107.730  104.300  0.500    6.86  ?     
  3    1  C8     N9     "C1'"  133.897  127.000  1.300    5.30  ?     
  4    1  N1     C6     O6     116.266  119.900  0.600   -6.06  ?     
  5    1  N3     C4     C5     125.191  128.600  0.500   -6.82  ?     
  6    1  "O4'"  "C1'"  N9     112.404  108.000  0.700    6.29  ?     
  7    2  C5     C6     N1     117.441  121.000  0.500   -7.12  ?     
  8    2  C6     N1     C2     122.523  120.300  0.400    5.56  ?     
  9    2  N1     C2     O2     124.843  118.900  0.600    9.91  ?     
 10    2  N3     C2     O2     114.659  121.900  0.700  -10.35  ?     
 11    2  "O5'"  P      OP2    100.815  105.700  0.900   -5.43  ?     
 12    3  "C1'"  "O4'"  "C4'"  104.939  110.100  1.000   -5.16  ?     
 13    3  C5     C6     N1     120.076  123.700  0.600   -6.04  ?     
 14    3  C6     C5     C7     118.336  122.900  0.600   -7.61  ?     
 15    3  N3     C2     O2     118.918  122.300  0.600   -5.64  ?     
 16    3  "O4'"  "C1'"  "C2'"  112.455  105.900  0.800    8.19  ?     
 17    3  "O4'"  "C4'"  "C3'"  114.512  106.000  0.600   14.19  ?     
 18    4  C5     C6     N1     120.680  117.700  0.500    5.96  ?     
 19    4  N1     C6     N6     113.273  118.600  0.600   -8.88  ?     
 20    4  "O4'"  "C1'"  "C2'"  100.927  105.900  0.800   -6.22  ?     
 21    4  "O4'"  "C1'"  N9     121.808  108.000  0.700   19.73  ?     
 22    5  "C4'"  "C3'"  "C2'"  107.916  103.100  0.900    5.35  ?     
 23    5  C5     C4     O4     128.481  124.900  0.700    5.12  ?     
 24    5  C6     N1     "C1'"  129.355  120.400  1.500    5.97  ?     
 25    5  C6     N1     C2     116.268  121.300  0.500  -10.06  ?     
 26    5  N1     C2     N3     117.864  114.600  0.600    5.44  ?     
 27    5  N3     C2     O2     115.787  122.300  0.600  -10.86  ?     
 28    5  N3     C4     O4     114.034  119.900  0.600   -9.78  ?     
 29    5  "O4'"  "C1'"  "C2'"  101.724  105.900  0.800   -5.22  ?     
 30    6  C5     N7     C8     100.701  103.900  0.500   -6.40  ?     
 31    6  C6     N1     C2     121.934  118.600  0.600    5.56  ?     
 32    6  N1     C2     N3     125.036  129.300  0.500   -8.53  ?     
 33    6  "O4'"  "C1'"  N9     103.308  108.000  0.700   -6.70  ?     
 34    7  "C4'"  "C3'"  "C2'"   98.253  103.100  0.900   -5.39  ?     
 35    7  C5     N7     C8     101.311  104.300  0.500   -5.98  ?     
 36    7  C6     N1     C2     121.808  125.100  0.600   -5.49  ?     
 37    7  C8     N9     C4     103.997  106.400  0.400   -6.01  ?     
 38    7  N1     C2     N3     127.652  123.900  0.600    6.25  ?     
 39    7  N1     C6     O6     116.685  119.900  0.600   -5.36  ?     
 40    7  N7     C8     N9     117.682  113.100  0.500    9.16  ?     
 41    7  N9     C4     C5     107.503  105.400  0.400    5.26  ?     
 42    7  "O4'"  "C1'"  N9     112.078  108.000  0.700    5.83  ?     
 43    7  "O4'"  "C4'"  "C3'"  111.782  106.000  0.600    9.64  ?     
 44    8  "C1'"  "O4'"  "C4'"  104.789  110.100  1.000   -5.31  ?     
 45    8  C2     N3     C4     116.302  119.900  0.500   -7.20  ?     
 46    8  C6     N1     C2     117.511  120.300  0.400   -6.97  ?     
 47    8  N3     C4     C5     124.339  121.900  0.400    6.10  ?     
 48    9  "C5'"  "C4'"  "O4'"  120.591  109.300  1.900    5.94  ?     
 49    9  C5     C6     N1     108.411  111.500  0.500   -6.18  ?     
 50    9  C8     N9     C4     111.049  106.400  0.400   11.62  ?     
 51    9  N7     C8     N9     108.941  113.100  0.500   -8.32  ?     
 52    9  "O4'"  "C1'"  "C2'"   98.293  105.900  0.800   -9.51  ?     
 53    9  "O4'"  "C1'"  N9     119.377  108.000  0.700   16.25  ?     
 54   10  N1     C2     O2     122.392  118.900  0.600    5.82  ?     
 55   10  N3     C2     O2     117.313  121.900  0.700   -6.55  ?     
 56   10  "O4'"  "C1'"  N1     112.318  108.000  0.700    6.17  ?     
 57   11  C4     C5     C7     124.380  119.000  0.600    8.97  ?     
 58   11  C5     C6     N1     120.588  123.700  0.600   -5.19  ?     
 59   11  C6     C5     C7     115.848  122.900  0.600  -11.75  ?     
 60   11  N1     C2     N3     118.681  114.600  0.600    6.80  ?     
 61   11  N3     C2     O2     118.860  122.300  0.600   -5.73  ?     
 62   12  "C1'"  "O4'"  "C4'"  104.467  110.100  1.000   -5.63  ?     
 63   12  C2     N3     C4     114.849  110.600  0.500    8.50  ?     
 64   12  C4     C5     C6     112.531  117.000  0.500   -8.94  ?     
 65   12  C5     C6     N1     121.088  117.700  0.500    6.78  ?     
 66   12  C6     C5     N7     136.288  132.300  0.700    5.70  ?     
 67   12  N1     C2     N3     123.571  129.300  0.500  -11.46  ?     
 68   12  N1     C6     N6     114.652  118.600  0.600   -6.58  ?     
 69   12  "O4'"  "C1'"  "C2'"  109.990  105.900  0.800    5.11  ?     
 70   12  "O4'"  "C4'"  "C3'"  100.885  106.000  0.600   -8.53  ?     
 71   13  "C4'"  "C3'"  "C2'"   96.996  103.100  0.900   -6.78  ?     
 72   13  C5     C6     N1     116.233  123.700  0.600  -12.45  ?     
 73   13  C6     N1     C2     125.853  121.300  0.500    9.11  ?     
 74   13  N3     C4     O4     116.708  119.900  0.600   -5.32  ?     
 75   13  "O4'"  "C1'"  "C2'"  100.326  105.900  0.800   -6.97  ?     
 76   14  "C4'"  "C3'"  "C2'"   98.556  103.100  0.900   -5.05  ?     
 77   14  C4     C5     N7     107.882  110.700  0.500   -5.63  ?     
 78   14  C6     C5     N7     137.545  132.300  0.700    7.49  ?     
 79   14  C8     N9     C4     102.475  105.800  0.400   -8.31  ?     
 80   14  N1     C2     N3     125.545  129.300  0.500   -7.51  ?     
 81   14  N1     C6     N6     112.297  118.600  0.600  -10.51  ?     
 82   14  N7     C8     N9     118.645  113.800  0.500    9.69  ?     
 83   14  N9     C4     C5     108.381  105.800  0.400    6.45  ?     
 84   14  "O4'"  "C1'"  N9     117.430  108.000  0.700   13.47  ?     
 85   14  "O4'"  "C4'"  "C3'"  112.982  106.000  0.600   11.64  ?     
 86   15  C4     C5     C6     122.888  118.800  0.600    6.81  ?     
 87   15  C5     C6     N1     108.818  111.500  0.500   -5.36  ?     
 88   15  C5     C6     O6     132.705  128.600  0.600    6.84  ?     
 89   15  C6     C5     N7     127.019  130.400  0.600   -5.63  ?     
 90   15  N3     C2     N2     116.254  119.900  0.700   -5.21  ?     
 91   15  N3     C4     C5     124.032  128.600  0.500   -9.14  ?     
 92   15  N3     C4     N9     129.758  126.000  0.600    6.26  ?     
 93   15  "O4'"  "C1'"  N9     116.036  108.000  0.700   11.48  ?     
 94   16  N1     C2     O2     124.992  118.900  0.600   10.15  ?     
 95   16  N3     C2     O2     114.555  121.900  0.700  -10.49  ?     
 96   16  N3     C4     C5     119.846  121.900  0.400   -5.13  ?     
 97   18  C5     C6     O6     132.018  128.600  0.600    5.70  ?     
 98   18  N1     C6     O6     114.144  119.900  0.600   -9.59  ?     
 99   19  C5     C4     N4     115.585  120.200  0.700   -6.59  ?     
100   19  C6     N1     C2     115.702  120.300  0.400  -11.50  ?     
101   19  N1     C2     N3     122.801  119.200  0.700    5.14  ?     
102   19  N3     C2     O2     117.883  121.900  0.700   -5.74  ?     
103   19  N3     C4     N4     122.811  118.000  0.700    6.87  ?     
104   19  "O4'"  "C1'"  N1     113.106  108.000  0.700    7.29  ?     
105   20  C2     N3     C4     122.292  127.200  0.600   -8.18  ?     
106   20  C5     C6     N1     120.295  123.700  0.600   -5.67  ?     
107   20  N1     "C1'"  "C2'"  123.276  112.600  1.900    5.62  ?     
108   20  N3     C2     O2     118.197  122.300  0.600   -6.84  ?     
109   20  "O4'"  "C4'"  "C3'"  109.488  106.000  0.600    5.81  ?     
110   21  C4     C5     C6     113.769  117.000  0.500   -6.46  ?     
111   21  C5     N7     C8     100.061  103.900  0.500   -7.68  ?     
112   21  C8     N9     C4     100.796  105.800  0.400  -12.51  ?     
113   21  N7     C8     N9     119.679  113.800  0.500   11.76  ?     
114   21  N9     C4     C5     107.884  105.800  0.400    5.21  ?     
115   21  "O4'"  "C1'"  N9     115.920  108.000  0.700   11.31  ?     
116   22  "C5'"  "C4'"  "C3'"  124.987  114.100  1.800    6.05  ?     
117   22  C6     C5     C7     119.359  122.900  0.600   -5.90  ?     
118   22  N1     "C1'"  "C2'"  124.774  112.600  1.900    6.41  ?     
119   22  N3     C4     O4     116.748  119.900  0.600   -5.25  ?     
120   23  P      "O3'"  "C3'"  127.259  119.700  1.200    6.30  Y     
121   23  C2     N3     C4     107.885  110.600  0.500   -5.43  ?     
122   23  C4     C5     C6     111.312  117.000  0.500  -11.38  ?     
123   23  "C5'"  "C4'"  "O4'"  120.203  109.300  1.900    5.74  ?     
124   23  C5     C6     N1     123.308  117.700  0.500   11.21  ?     
125   23  C6     N1     C2     114.597  118.600  0.600   -6.67  ?     
126   23  N1     C2     N3     131.914  129.300  0.500    5.23  ?     
127   23  N1     C6     N6     114.005  118.600  0.600   -7.66  ?     
128   23  N3     C4     C5     130.884  126.800  0.700    5.83  ?     
129   23  N9     C4     C5     102.451  105.800  0.400   -8.37  ?     
130   23  "O4'"  "C1'"  N9     118.939  108.000  0.700   15.63  ?     
131   24  "O3'"  P      "O5'"   91.166  104.000  1.900   -6.75  Y     
132   24  C2     N3     C4     114.855  111.900  0.500    5.91  ?     
133   24  C6     N1     C2     121.382  125.100  0.600   -6.20  ?     
134   24  N3     C4     C5     123.266  128.600  0.500  -10.67  ?     
135   24  N9     C4     C5     107.730  105.400  0.400    5.83  ?     
136   25  C2     N3     C4     113.513  119.900  0.500  -12.77  ?     
137   25  C4     C5     C6     119.970  117.400  0.500    5.14  ?     
138   25  C5     C4     N4     125.264  120.200  0.700    7.23  ?     
139   25  C5     C6     N1     117.397  121.000  0.500   -7.21  ?     
140   25  N1     C2     N3     126.769  119.200  0.700   10.81  ?     
141   25  N3     C2     O2     115.910  121.900  0.700   -8.56  ?     
142   25  N3     C4     N4     112.535  118.000  0.700   -7.81  ?     
143   25  "O4'"  "C1'"  "C2'"  101.444  105.900  0.800   -5.57  ?     
144   25  "O4'"  "C1'"  N1     112.345  108.000  0.700    6.21  ?     
145   26  C5     C6     O6     132.730  128.600  0.600    6.88  ?     
146   26  N1     C6     O6     115.990  119.900  0.600   -6.52  ?     
147   26  "O4'"  "C4'"  "C3'"  100.199  106.000  0.600   -9.67  ?     
148   27  "C1'"  "O4'"  "C4'"  116.345  110.100  1.000    6.25  ?     
149   27  C2     N3     C4     116.356  119.900  0.500   -7.09  ?     
150   27  C5     C6     N1     117.403  121.000  0.500   -7.20  ?     
151   27  N3     C4     C5     125.913  121.900  0.400   10.03  ?     
152   27  "O4'"  "C1'"  N1     119.439  108.000  0.700   16.34  ?     
153   27  "O4'"  "C4'"  "C3'"  102.066  104.500  0.400   -6.08  ?     
154   28  C2     N3     C4     124.021  127.200  0.600   -5.30  ?     
155   28  "C4'"  "C3'"  "C2'"  109.318  103.100  0.900    6.91  ?     
156   28  N3     C4     C5     118.886  115.200  0.600    6.14  ?     
157   28  N3     C4     O4     115.290  119.900  0.600   -7.68  ?     
158   28  "O4'"  "C1'"  N1     116.005  108.000  0.700   11.44  ?     
159   29  C2     N3     C4     113.638  110.600  0.500    6.08  ?     
160   29  "C4'"  "C3'"  "C2'"   96.492  103.100  0.900   -7.34  ?     
161   29  C4     C5     C6     113.234  117.000  0.500   -7.53  ?     
162   29  C5     C6     N1     122.746  117.700  0.500   10.09  ?     
163   29  C6     C5     N7     138.122  132.300  0.700    8.32  ?     
164   29  C6     N1     C2     115.474  118.600  0.600   -5.21  ?     
165   29  N1     C6     N6     112.571  118.600  0.600  -10.05  ?     
166   29  "O4'"  "C1'"  N9     112.156  108.000  0.700    5.94  ?     
167   29  "O4'"  "C4'"  "C3'"  100.853  106.000  0.600   -8.58  ?     
168   30  C4     C5     C7     113.935  119.000  0.600   -8.44  ?     
169   30  C5     C4     O4     132.417  124.900  0.700   10.74  ?     
170   30  C5     C6     N1     120.182  123.700  0.600   -5.86  ?     
171   30  N3     C4     O4     112.586  119.900  0.600  -12.19  ?     
172   30  "O4'"  "C1'"  N1     116.789  108.000  0.700   12.55  ?     
173   30  "O4'"  "C4'"  "C3'"  109.953  106.000  0.600    6.59  ?     
174   30  "O5'"  P      OP1    100.136  105.700  0.900   -6.18  ?     
175   31  "C1'"  "O4'"  "C4'"  104.139  110.100  1.000   -5.96  ?     
176   31  "C3'"  "C2'"  "C1'"   96.370  102.500  1.200   -5.11  ?     
177   31  C5     C6     N1     122.720  117.700  0.500   10.04  ?     
178   31  C6     N1     C2     113.405  118.600  0.600   -8.66  ?     
179   31  N1     C2     N3     131.925  129.300  0.500    5.25  ?     
180   31  N1     C6     N6     111.812  118.600  0.600  -11.31  ?     
181   32  "C4'"  "C3'"  "C2'"   96.613  103.100  0.900   -7.21  ?     
182   32  C4     C5     C6     114.321  118.800  0.600   -7.46  ?     
183   32  C4     C5     N7     113.207  110.800  0.400    6.02  ?     
184   32  C5     C6     N1     116.749  111.500  0.500   10.50  ?     
185   32  C5     N7     C8     101.427  104.300  0.500   -5.75  ?     
186   32  C6     N1     C2     122.046  125.100  0.600   -5.09  ?     
187   32  N1     C6     O6     112.452  119.900  0.600  -12.41  ?     
188   32  "O4'"  "C1'"  "C2'"   97.118  105.900  0.800  -10.98  ?     
189   32  "O4'"  "C1'"  N9     115.853  108.000  0.700   11.22  ?     
190   32  "O4'"  "C4'"  "C3'"  110.532  106.000  0.600    7.55  ?     
191   33  N1     C2     O2     124.590  118.900  0.600    9.48  ?     
192   33  N3     C2     O2     114.868  121.900  0.700  -10.05  ?     
193   35  P      "O3'"  "C3'"  126.001  119.700  1.200    5.25  Y     
194   35  C4     C5     N7     108.709  110.800  0.400   -5.23  ?     
195   35  C8     N9     C4     103.524  106.400  0.400   -7.19  ?     
196   35  N1     C6     O6     116.090  119.900  0.600   -6.35  ?     
197   35  N3     C4     C5     125.859  128.600  0.500   -5.48  ?     
198   35  N7     C8     N9     116.157  113.100  0.500    6.11  ?     
199   35  "O4'"  "C1'"  N9     118.801  108.000  0.700   15.43  ?     
200   36  C2     N3     C4     116.340  119.900  0.500   -7.12  ?     
201   36  N3     C2     O2     115.959  121.900  0.700   -8.49  ?     
202   36  "O4'"  "C4'"  "C3'"  110.627  106.000  0.600    7.71  ?     
203   37  C5     C6     N1     120.505  123.700  0.600   -5.33  ?     
204   37  C6     C5     C7     117.987  122.900  0.600   -8.19  ?     
205   37  N1     C2     O2     130.441  123.100  0.800    9.18  ?     
206   37  N3     C2     O2     116.302  122.300  0.600  -10.00  ?     
207   37  N3     C4     C5     112.178  115.200  0.600   -5.04  ?     
208   38  "C4'"  "C3'"  "C2'"  107.821  103.100  0.900    5.25  ?     
209   38  C4     C5     C6     114.376  117.000  0.500   -5.25  ?     
210   38  C8     N9     C4     107.875  105.800  0.400    5.19  ?     
211   38  N1     C6     N6     114.895  118.600  0.600   -6.17  ?     
212   38  "O4'"  "C1'"  N9     112.525  108.000  0.700    6.46  ?     
213   39  N1     C2     N3     118.582  114.600  0.600    6.64  ?     
214   40  C4     C5     C6     112.833  117.000  0.500   -8.33  ?     
215   40  C5     C6     N1     125.289  117.700  0.500   15.18  ?     
216   40  C5     N7     C8     100.491  103.900  0.500   -6.82  ?     
217   40  C6     N1     C2     113.882  118.600  0.600   -7.86  ?     
218   40  N1     C6     N6     109.208  118.600  0.600  -15.65  ?     
219   41  "C4'"  "C3'"  "C2'"   98.057  103.100  0.900   -5.60  ?     
220   41  C4     C5     C6     115.196  118.800  0.600   -6.01  ?     
221   41  C5     C6     N1     115.059  111.500  0.500    7.12  ?     
222   41  C6     C5     N7     134.135  130.400  0.600    6.22  ?     
223   41  C8     N9     C4     103.611  106.400  0.400   -6.97  ?     
224   41  N1     C6     O6     113.709  119.900  0.600  -10.32  ?     
225   41  N3     C2     N2     115.225  119.900  0.700   -6.68  ?     
226   41  "O4'"  "C4'"  "C3'"  110.871  106.000  0.600    8.12  ?     
227   42  "C4'"  "C3'"  "C2'"   97.658  103.100  0.900   -6.05  ?     
228   42  C5     C4     N4     115.443  120.200  0.700   -6.80  ?     
229   42  C6     N1     C2     116.511  120.300  0.400   -9.47  ?     
230   42  N3     C4     C5     117.154  121.900  0.400  -11.87  ?     
231   42  "O4'"  "C1'"  N1     114.006  108.000  0.700    8.58  ?     
232   43  C4     C5     N7     106.700  110.800  0.400  -10.25  ?     
233   43  "C5'"  "C4'"  "C3'"  124.684  114.100  1.800    5.88  ?     
234   43  C5     N7     C8     107.195  104.300  0.500    5.79  ?     
235   43  C8     N9     C4     103.110  106.400  0.400   -8.23  ?     
236   43  N9     C4     C5     107.570  105.400  0.400    5.42  ?     
237   43  "O4'"  "C1'"  "C2'"   95.133  105.900  0.800  -13.46  ?     
238   43  "O4'"  "C4'"  "C3'"  102.454  104.500  0.400   -5.12  ?     
239   44  P      "O3'"  "C3'"  126.514  119.700  1.200    5.68  Y     
240   44  C5     C4     N4     126.471  120.200  0.700    8.96  ?     
241   44  N3     C4     N4     112.656  118.000  0.700   -7.63  ?     
242   44  "O4'"  "C1'"  "C2'"   99.672  105.900  0.800   -7.79  ?     
243   44  "O4'"  "C1'"  N1     115.681  108.000  0.700   10.97  ?     
244   45  P      "O3'"  "C3'"  126.930  119.700  1.200    6.03  Y     
245   45  C4     C5     C6     121.436  118.000  0.600    5.73  ?     
246   45  C5     C6     N1     119.387  123.700  0.600   -7.19  ?     
247   45  C6     C5     C7     117.769  122.900  0.600   -8.55  ?     
248   45  N1     C2     N3     118.153  114.600  0.600    5.92  ?     
249   45  N1     C2     O2     118.555  123.100  0.800   -5.68  ?     
250   45  "O4'"  "C4'"  "C3'"  110.325  106.000  0.600    7.21  ?     
251   45  "O5'"  P      OP1    116.776  110.700  1.200    5.06  ?     
252   46  "C1'"  "O4'"  "C4'"  103.466  110.100  1.000   -6.63  ?     
253   46  C4     C5     C6     112.667  117.000  0.500   -8.67  ?     
254   46  C5     C6     N1     123.148  117.700  0.500   10.90  ?     
255   46  C6     C5     N7     138.164  132.300  0.700    8.38  ?     
256   46  N1     C6     N6     110.064  118.600  0.600  -14.23  ?     
257   46  N7     C8     N9     111.277  113.800  0.500   -5.05  ?     
258   46  "O4'"  "C1'"  N9     116.314  108.000  0.700   11.88  ?     
259   46  "O4'"  "C4'"  "C3'"  111.295  106.000  0.600    8.83  ?     
260   47  P      "O3'"  "C3'"  127.486  119.700  1.200    6.49  Y     
261   47  C2     N3     C4     122.048  127.200  0.600   -8.59  ?     
262   47  C4     C5     C6     123.008  118.000  0.600    8.35  ?     
263   47  C5     C4     O4     129.666  124.900  0.700    6.81  ?     
264   47  C5     C6     N1     119.112  123.700  0.600   -7.65  ?     
265   47  C6     C5     C7     119.458  122.900  0.600   -5.74  ?     
266   47  N1     C2     N3     118.232  114.600  0.600    6.05  ?     
267   47  N3     C2     O2     119.109  122.300  0.600   -5.32  ?     
268   47  N3     C4     O4     115.965  119.900  0.600   -6.56  ?     
269   47  "O4'"  "C1'"  "C2'"  101.169  105.900  0.800   -5.91  ?     
270   47  "O4'"  "C1'"  N1     117.502  108.000  0.700   13.57  ?     
271   48  C4     C5     C6     108.518  117.000  0.500  -16.96  ?     
272   48  C5     C6     N1     125.253  117.700  0.500   15.11  ?     
273   48  C6     C5     N7     138.568  132.300  0.700    8.95  ?     
274   48  C6     N1     C2     113.942  118.600  0.600   -7.76  ?     
275   48  N1     C6     N6     110.197  118.600  0.600  -14.01  ?     
276   48  N3     C4     C5     131.862  126.800  0.700    7.23  ?     
277   48  N3     C4     N9     122.313  127.400  0.800   -6.36  ?     
278   48  "O4'"  "C1'"  N9     112.119  108.000  0.700    5.88  ?     
279   49  C2     N3     C4     109.135  111.900  0.500   -5.53  ?     
280   49  C4     C5     N7     107.730  110.800  0.400   -7.67  ?     
281   49  C5     C6     N1     115.336  111.500  0.500    7.67  ?     
282   49  C6     C5     N7     136.132  130.400  0.600    9.55  ?     
283   49  C6     N1     C2     120.196  125.100  0.600   -8.17  ?     
284   49  N1     C2     N3     129.958  123.900  0.600   10.10  ?     
285   49  "O4'"  "C1'"  N9     114.369  108.000  0.700    9.10  ?     
286   49  "O4'"  "C4'"  "C3'"  110.059  106.000  0.600    6.76  ?     
287   50  C2     N3     C4     112.779  119.900  0.500  -14.24  ?     
288   50  C5     C6     N1     115.421  121.000  0.500  -11.16  ?     
289   50  N1     C2     O2     123.925  118.900  0.600    8.38  ?     
290   50  N3     C2     O2     113.404  121.900  0.700  -12.14  ?     
291   50  N3     C4     C5     128.608  121.900  0.400   16.77  ?     
292   50  N3     C4     N4     113.340  118.000  0.700   -6.66  ?     
293   52  "C1'"  "O4'"  "C4'"  103.479  110.100  1.000   -6.62  ?     
294   52  "O4'"  "C1'"  "C2'"  100.118  105.900  0.800   -7.23  ?     
295   53  "O3'"  P      "O5'"   92.777  104.000  1.900   -5.91  Y     
296   53  C6     N1     C2     117.775  120.300  0.400   -6.31  ?     
297   53  N3     C2     O2     117.744  121.900  0.700   -5.94  ?     
298   53  "O4'"  "C4'"  "C3'"  109.303  106.000  0.600    5.50  ?     
299   54  "O3'"  P      "O5'"   93.441  104.000  1.900   -5.56  Y     
300   54  C2     N3     C4     121.570  127.200  0.600   -9.38  ?     
301   54  C6     N1     C2     117.265  121.300  0.500   -8.07  ?     
302   54  N1     C2     N3     120.061  114.600  0.600    9.10  ?     
303   54  N3     C2     O2     116.041  122.300  0.600  -10.43  ?     
304   54  "O4'"  "C1'"  N1     103.988  108.000  0.700   -5.73  ?     
305   54  "O4'"  "C4'"  "C3'"  109.043  106.000  0.600    5.07  ?     
306   55  "C1'"  "O4'"  "C4'"  104.000  110.100  1.000   -6.10  ?     
307   55  "C4'"  "C3'"  "C2'"   96.510  103.100  0.900   -7.32  ?     
308   55  C4     C5     C6     113.342  117.000  0.500   -7.32  ?     
309   55  C5     C6     N1     121.183  117.700  0.500    6.97  ?     
310   55  C5     N7     C8      99.817  103.900  0.500   -8.17  ?     
311   55  C8     N9     C4     102.693  105.800  0.400   -7.77  ?     
312   55  N1     C6     N6     114.052  118.600  0.600   -7.58  ?     
313   55  N7     C8     N9     118.692  113.800  0.500    9.78  ?     
314   55  "O4'"  "C1'"  "C2'"   99.432  105.900  0.800   -8.09  ?     
315   55  "O4'"  "C1'"  N9     111.672  108.000  0.700    5.25  ?     
316   55  "O4'"  "C4'"  "C3'"  110.475  106.000  0.600    7.46  ?     
317   56  C4     C5     C6     123.322  118.000  0.600    8.87  ?     
318   56  C4     C5     C7     125.319  119.000  0.600   10.53  ?     
319   56  C5     C4     O4     128.971  124.900  0.700    5.82  ?     
320   56  C5     C6     N1     119.716  123.700  0.600   -6.64  ?     
321   56  C6     C5     C7     110.651  122.900  0.600  -20.41  ?     
322   56  N3     C2     O2     118.971  122.300  0.600   -5.55  ?     
323   56  "O4'"  "C1'"  N1     103.577  108.000  0.700   -6.32  ?     
324   57  C4     C5     C6     111.873  117.000  0.500  -10.26  ?     
325   57  C4     C5     N7     114.303  110.700  0.500    7.21  ?     
326   57  C5     C6     N1     122.485  117.700  0.500    9.57  ?     
327   57  C5     N7     C8     101.332  103.900  0.500   -5.14  ?     
328   57  C8     N9     C4     109.347  105.800  0.400    8.87  ?     
329   57  N1     C6     N6     111.356  118.600  0.600  -12.07  ?     
330   57  N9     C4     C5     101.372  105.800  0.400  -11.07  ?     
331   57  "O4'"  "C1'"  "C2'"  111.915  105.900  0.800    7.52  ?     
332   58  C2     N3     C4     119.097  111.900  0.500   14.39  ?     
333   58  C5     C6     N1     115.913  111.500  0.500    8.83  ?     
334   58  C6     N1     C2     121.733  125.100  0.600   -5.61  ?     
335   58  C8     N9     C4     103.155  106.400  0.400   -8.11  ?     
336   58  N1     C2     N3     120.795  123.900  0.600   -5.17  ?     
337   58  N1     C6     O6     114.941  119.900  0.600   -8.27  ?     
338   58  N3     C4     C5     122.290  128.600  0.500  -12.62  ?     
339   58  N9     C4     C5     108.272  105.400  0.400    7.18  ?     
340   58  "O4'"  "C1'"  "C2'"  110.198  105.900  0.800    5.37  ?     
341   58  "O4'"  "C1'"  N9     112.139  108.000  0.700    5.91  ?     
342   59  C2     N3     C4     114.682  119.900  0.500  -10.44  ?     
343   59  C5     C6     N1     117.503  121.000  0.500   -6.99  ?     
344   59  N3     C2     O2     116.063  121.900  0.700   -8.34  ?     
345   59  N3     C4     C5     128.122  121.900  0.400   15.56  ?     
346   59  N3     C4     N4     112.707  118.000  0.700   -7.56  ?     
347   60  C4     C5     N7     114.766  110.800  0.400    9.91  ?     
348   60  C5     C6     N1     114.152  111.500  0.500    5.30  ?     
349   60  C5     N7     C8      99.514  104.300  0.500   -9.57  ?     
350   60  N3     C2     N2     114.175  119.900  0.700   -8.18  ?     
351   60  N3     C4     N9     131.612  126.000  0.600    9.35  ?     
352   60  N9     C4     C5     101.797  105.400  0.400   -9.01  ?     
353   60  "O4'"  "C1'"  N9     116.092  108.000  0.700   11.56  ?     
354   61  "O4'"  "C1'"  N1     115.578  108.000  0.700   10.83  ?     
355   61  "O4'"  "C4'"  "C3'"  111.054  106.000  0.600    8.42  ?     
356   62  "C1'"  "O4'"  "C4'"  104.102  110.100  1.000   -6.00  ?     
357   62  C4     C5     C7     125.152  119.000  0.600   10.25  ?     
358   62  C5     C6     N1     119.528  123.700  0.600   -6.95  ?     
359   62  C6     C5     C7     115.524  122.900  0.600  -12.29  ?     
360   62  N3     C2     O2     118.584  122.300  0.600   -6.19  ?     
361   62  "O4'"  "C1'"  N1     113.559  108.000  0.700    7.94  ?     
362   63  "C1'"  "O4'"  "C4'"  101.928  110.100  1.000   -8.17  ?     
363   63  C2     N3     C4     113.343  110.600  0.500    5.49  ?     
364   63  C4     C5     C6     111.790  117.000  0.500  -10.42  ?     
365   63  C5     C6     N1     124.877  117.700  0.500   14.36  ?     
366   63  C5     N7     C8      98.554  103.900  0.500  -10.69  ?     
367   63  C6     C5     N7     136.173  132.300  0.700    5.53  ?     
368   63  C6     N1     C2     115.311  118.600  0.600   -5.48  ?     
369   63  C8     N9     C4     103.026  105.800  0.400   -6.94  ?     
370   63  N1     C2     N3     126.312  129.300  0.500   -5.98  ?     
371   63  N1     C6     N6     108.830  118.600  0.600  -16.28  ?     
372   63  N7     C8     N9     117.699  113.800  0.500    7.80  ?     
373   63  N9     C4     C5     108.559  105.800  0.400    6.90  ?     
374   64  C2     N3     C4     121.361  127.200  0.600   -9.73  ?     
375   64  C4     C5     C6     121.273  118.000  0.600    5.46  ?     
376   64  C4     C5     C7     115.649  119.000  0.600   -5.58  ?     
377   64  C6     N1     C2     117.790  121.300  0.500   -7.02  ?     
378   64  N1     C2     N3     119.399  114.600  0.600    8.00  ?     
379   64  "O4'"  "C1'"  "C2'"  100.098  105.900  0.800   -7.25  ?     
380   64  "O4'"  "C1'"  N1     116.185  108.000  0.700   11.69  ?     
381   64  "O4'"  "C4'"  "C3'"  102.376  104.500  0.400   -5.31  ?     
382   65  C2     N3     C4     114.697  110.600  0.500    8.19  ?     
383   65  C4     C5     N7     107.343  110.700  0.500   -6.71  ?     
384   65  C5     C6     N1     121.727  117.700  0.500    8.05  ?     
385   65  C6     C5     N7     136.440  132.300  0.700    5.91  ?     
386   65  N1     C6     N6     115.308  118.600  0.600   -5.49  ?     
387   65  N3     C4     C5     122.385  126.800  0.700   -6.31  ?     
388   65  "O4'"  "C1'"  "C2'"  101.612  105.900  0.800   -5.36  ?     
389   65  "O4'"  "C1'"  N9     114.537  108.000  0.700    9.34  ?     
390   66  P      "O3'"  "C3'"  130.214  119.700  1.200    8.76  Y     
391   66  C2     N3     C4     114.555  111.900  0.500    5.31  ?     
392   66  C4     C5     N7     112.836  110.800  0.400    5.09  ?     
393   66  C5     C6     N1     114.399  111.500  0.500    5.80  ?     
394   66  C5     N7     C8     100.133  104.300  0.500   -8.33  ?     
395   66  C8     N9     C4     103.771  106.400  0.400   -6.57  ?     
396   66  N3     C4     C5     124.470  128.600  0.500   -8.26  ?     
397   66  N3     C4     N9     129.094  126.000  0.600    5.16  ?     
398   66  N7     C8     N9     116.448  113.100  0.500    6.70  ?     
399   66  "O4'"  "C4'"  "C3'"  109.400  106.000  0.600    5.67  ?     
400   67  C5     C6     N1     117.352  121.000  0.500   -7.30  ?     
401   67  N1     C2     O2     123.938  118.900  0.600    8.40  ?     
402   67  N3     C2     O2     116.837  121.900  0.700   -7.23  ?     
403   67  N3     C4     C5     124.486  121.900  0.400    6.46  ?     
404   67  N3     C4     N4     113.228  118.000  0.700   -6.82  ?     
405   69  C2     N3     C4     115.441  111.900  0.500    7.08  ?     
406   69  C8     N9     C4     103.361  106.400  0.400   -7.60  ?     
407   69  N1     C2     N2     111.657  116.200  0.900   -5.05  ?     
408   69  N1     C6     O6     115.895  119.900  0.600   -6.67  ?     
409   69  N3     C4     C5     123.821  128.600  0.500   -9.56  ?     
410   69  N9     C4     C5     107.824  105.400  0.400    6.06  ?     
411   69  "O4'"  "C1'"  "C2'"  101.750  105.900  0.800   -5.19  ?     
412   69  "O4'"  "C1'"  N9     114.076  108.000  0.700    8.68  ?     
413   69  "O4'"  "C4'"  "C3'"  102.180  104.500  0.400   -5.80  ?     
414   70  "C5'"  "C4'"  "O4'"  119.137  109.300  1.900    5.18  ?     
415   70  C6     N1     C2     118.024  120.300  0.400   -5.69  ?     
416   70  N1     C2     O2     125.867  118.900  0.600   11.61  ?     
417   70  N3     C2     O2     114.235  121.900  0.700  -10.95  ?     
418   70  "O4'"  "C1'"  N1     117.754  108.000  0.700   13.93  ?     
419   71  C6     N1     C2     116.586  121.300  0.500   -9.43  ?     
420   71  "O4'"  "C1'"  N1     117.794  108.000  0.700   13.99  ?     
421   72  C4     C5     C6     113.602  117.000  0.500   -6.80  ?     
422   72  C4     C5     N7     114.202  110.700  0.500    7.00  ?     
423   72  C5     C6     N1     121.155  117.700  0.500    6.91  ?     
424   72  C5     N7     C8     100.489  103.900  0.500   -6.82  ?     
425   72  C8     N9     C4     108.939  105.800  0.400    7.85  ?     
426   72  N1     C6     N6     113.295  118.600  0.600   -8.84  ?     
427   72  N3     C4     N9     132.549  127.400  0.800    6.44  ?     
428   72  N9     C4     C5     102.265  105.800  0.400   -8.84  ?     
429   72  "O4'"  "C1'"  N9     118.899  108.000  0.700   15.57  ?     
430   73  P      "O3'"  "C3'"  125.848  119.700  1.200    5.12  Y     
431   73  "C3'"  "C2'"  "C1'"  111.410  102.500  1.200    7.42  ?     
432   73  C5     C6     N1     120.139  123.700  0.600   -5.93  ?     
433   73  N3     C4     O4     123.150  119.900  0.600    5.42  ?     
434   73  "O4'"  "C1'"  "C2'"  101.167  105.900  0.800   -5.92  ?     
435   73  "O4'"  "C1'"  N1     112.944  108.000  0.700    7.06  ?     
436   74  P      "O3'"  "C3'"  126.523  119.700  1.200    5.69  Y     
437   74  "C3'"  "C2'"  "C1'"  108.853  102.500  1.200    5.29  ?     
438   74  "C4'"  "C3'"  "C2'"   95.523  103.100  0.900   -8.42  ?     
439   74  C5     N7     C8     101.051  103.900  0.500   -5.70  ?     
440   74  N1     C2     N3     125.048  129.300  0.500   -8.51  ?     
441   74  N1     C6     N6     115.201  118.600  0.600   -5.67  ?     
442   74  N3     C4     N9     123.021  127.400  0.800   -5.47  ?     
443   74  "O4'"  "C4'"  "C3'"  113.742  106.000  0.600   12.90  ?     
444   75  "O3'"  P      "O5'"  113.960  104.000  1.900    5.24  Y     
445   75  C4     C5     N7     108.462  110.800  0.400   -5.85  ?     
446   75  C8     N9     C4     102.498  106.400  0.400   -9.76  ?     
447   75  N1     C2     N2     121.904  116.200  0.900    6.34  ?     
448   75  N3     C2     N2     113.892  119.900  0.700   -8.58  ?     
449   75  N7     C8     N9     117.476  113.100  0.500    8.75  ?     
450   76  C4     C5     C6     114.885  117.400  0.500   -5.03  ?     
451   76  N1     C2     O2     122.894  118.900  0.600    6.66  ?     
452   76  N3     C2     O2     115.656  121.900  0.700   -8.92  ?     
453   76  "O4'"  "C1'"  N1     113.794  108.000  0.700    8.28  ?     
454   77  C2     N3     C4     114.921  111.900  0.500    6.04  ?     
455   77  C4     C5     N7     105.033  110.800  0.400  -14.42  ?     
456   77  C5     N7     C8     109.555  104.300  0.500   10.51  ?     
457   77  C6     C5     N7     134.188  130.400  0.600    6.31  ?     
458   77  N3     C4     C5     124.006  128.600  0.500   -9.19  ?     
459   77  "O4'"  "C1'"  N9     113.785  108.000  0.700    8.26  ?     
460   78  C2     N3     C4     115.715  119.900  0.500   -8.37  ?     
461   78  N1     C2     O2     126.119  118.900  0.600   12.03  ?     
462   78  N3     C2     O2     114.513  121.900  0.700  -10.55  ?     
463   78  N3     C4     C5     125.970  121.900  0.400   10.18  ?     
464   78  N3     C4     N4     110.563  118.000  0.700  -10.62  ?     
465   79  C4     C5     C6     121.384  118.000  0.600    5.64  ?     
466   79  C6     C5     C7     119.581  122.900  0.600   -5.53  ?     
467   79  C6     N1     C2     117.082  121.300  0.500   -8.44  ?     
468   79  N1     C2     N3     118.205  114.600  0.600    6.01  ?     
469   79  N3     C2     O2     118.590  122.300  0.600   -6.18  ?     
470   79  N3     C4     C5     111.603  115.200  0.600   -6.00  ?     
471   79  N3     C4     O4     123.291  119.900  0.600    5.65  ?     
472   79  "O4'"  "C1'"  N1     117.341  108.000  0.700   13.34  ?     
473   79  "O4'"  "C4'"  "C3'"  109.065  106.000  0.600    5.11  ?     
474   80  C5     C6     N6     129.143  123.700  0.800    6.80  ?     
475   80  N1     C6     N6     114.829  118.600  0.600   -6.29  ?     
476   80  "O4'"  "C1'"  N9     112.068  108.000  0.700    5.81  ?     
477   81  C4     C5     C6     121.170  118.000  0.600    5.28  ?     
478   81  C4     C5     C7     122.902  119.000  0.600    6.50  ?     
479   81  C6     C5     C7     115.563  122.900  0.600  -12.23  ?     
480   81  N1     C2     O2     127.202  123.100  0.800    5.13  ?     
481   81  N3     C2     O2     117.010  122.300  0.600   -8.82  ?     
482   81  "O4'"  "C1'"  "C2'"  100.745  105.900  0.800   -6.44  ?     
483   81  "O4'"  "C1'"  N1     113.758  108.000  0.700    8.22  ?     
484   82  P      "O3'"  "C3'"  126.212  119.700  1.200    5.43  Y     
485   82  C4     C5     C6     112.310  117.000  0.500   -9.38  ?     
486   82  N1     C2     N3     126.586  129.300  0.500   -5.43  ?     
487   82  N3     C4     C5     130.815  126.800  0.700    5.74  ?     
488   82  N9     C4     C5     101.729  105.800  0.400  -10.18  ?     
489   82  "O4'"  "C1'"  N9     111.603  108.000  0.700    5.15  ?     
490   83  "C3'"  "C2'"  "C1'"   95.830  102.500  1.200   -5.56  ?     
491   83  N3     C2     N2     115.428  119.900  0.700   -6.39  ?     
492   83  N7     C8     N9     115.804  113.100  0.500    5.41  ?     
493   83  "O4'"  "C1'"  N9     103.475  108.000  0.700   -6.46  ?     
494   84  C2     N3     C4     114.095  119.900  0.500  -11.61  ?     
495   84  "C3'"  "C2'"  "C1'"   94.722  102.500  1.200   -6.48  ?     
496   84  "C4'"  "C3'"  "C2'"  107.714  103.100  0.900    5.13  ?     
497   84  C4     C5     C6     120.297  117.400  0.500    5.79  ?     
498   84  C5     C6     N1     117.291  121.000  0.500   -7.42  ?     
499   84  N1     C2     N3     123.422  119.200  0.700    6.03  ?     
500   84  N1     C2     O2     122.316  118.900  0.600    5.69  ?     
501   84  N3     C2     O2     114.155  121.900  0.700  -11.06  ?     
502   84  N3     C4     C5     124.721  121.900  0.400    7.05  ?     
503   84  "O4'"  "C1'"  "C2'"  113.178  105.900  0.800    9.10  ?     
504   84  "O4'"  "C1'"  N1     112.513  108.000  0.700    6.45  ?     
505   86  C5     C6     O6     133.913  128.600  0.600    8.86  ?     
506   86  C8     N9     C4     109.810  106.400  0.400    8.53  ?     
507   86  N1     C2     N3     127.176  123.900  0.600    5.46  ?     
508   86  N1     C6     O6     112.352  119.900  0.600  -12.58  ?     
509   86  N3     C4     N9     129.990  126.000  0.600    6.65  ?     
510   86  N9     C4     C5     103.375  105.400  0.400   -5.06  ?     
511   86  "O4'"  "C1'"  "C2'"   99.989  105.900  0.800   -7.39  ?     
512   87  OP1    P      "O3'"  116.924  105.200  2.200    5.33  Y     
513   87  C6     N1     C2     116.918  120.300  0.400   -8.46  ?     
514   87  N1     C2     O2     126.803  118.900  0.600   13.17  ?     
515   87  N3     C2     O2     113.544  121.900  0.700  -11.94  ?     
516   87  N3     C4     N4     121.749  118.000  0.700    5.36  ?     
517   87  "O4'"  "C4'"  "C3'"  111.724  106.000  0.600    9.54  ?     
518   88  OP2    P      "O3'"  116.333  105.200  2.200    5.06  Y     
519   88  C2     N3     C4     123.908  127.200  0.600   -5.49  ?     
520   88  "C3'"  "C2'"  "C1'"  108.547  102.500  1.200    5.04  ?     
521   88  N3     C4     C5     118.421  115.200  0.600    5.37  ?     
522   88  N3     C4     O4     115.555  119.900  0.600   -7.24  ?     
523   88  "O4'"  "C1'"  N1     117.288  108.000  0.700   13.27  ?     
524   89  C5     C6     N6     128.572  123.700  0.800    6.09  ?     
525   89  N1     C6     N6     112.316  118.600  0.600  -10.47  ?     
526   89  N3     C4     C5     122.921  126.800  0.700   -5.54  ?     
527   89  N9     C4     C5     107.981  105.800  0.400    5.45  ?     
528   89  "O4'"  "C1'"  "C2'"   97.823  105.900  0.800  -10.10  ?     
529   89  "O4'"  "C1'"  N9     115.017  108.000  0.700   10.02  ?     
530   90  C6     N1     C2     117.676  121.300  0.500   -7.25  ?     
531   90  N3     C2     O2     117.624  122.300  0.600   -7.79  ?     
532   90  N3     C4     C5     111.956  115.200  0.600   -5.41  ?     
533   90  "O4'"  "C1'"  N1     112.335  108.000  0.700    6.19  ?     
534   91  C5     C6     N1     122.337  117.700  0.500    9.27  ?     
535   91  C5     C6     N6     129.336  123.700  0.800    7.04  ?     
536   91  C6     N1     C2     112.316  118.600  0.600  -10.47  ?     
537   91  N1     C2     N3     132.522  129.300  0.500    6.45  ?     
538   91  N1     C6     N6     108.302  118.600  0.600  -17.16  ?     
539   91  "O4'"  "C1'"  N9     112.385  108.000  0.700    6.26  ?     
540   92  C5     C6     O6     131.753  128.600  0.600    5.25  ?     
541   92  C8     N9     C4     109.052  106.400  0.400    6.63  ?     
542   92  N1     C6     O6     114.510  119.900  0.600   -8.98  ?     
543   92  N3     C2     N2     115.637  119.900  0.700   -6.09  ?     
544   92  "O4'"  "C4'"  "C3'"  110.515  106.000  0.600    7.53  ?     
545   93  C6     N1     C2     118.190  120.300  0.400   -5.28  ?     
546   93  N3     C2     O2     118.325  121.900  0.700   -5.11  ?     
547   94  "C1'"  "O4'"  "C4'"  103.509  110.100  1.000   -6.59  ?     
548   94  C5     N7     C8     100.936  104.300  0.500   -6.73  ?     
549   94  "O4'"  "C1'"  "C2'"   97.971  105.900  0.800   -9.91  ?     
550   95  C2     N3     C4     115.057  119.900  0.500   -9.69  ?     
551   95  C6     N1     C2     118.012  120.300  0.400   -5.72  ?     
552   95  N1     C2     N3     123.038  119.200  0.700    5.48  ?     
553   95  N3     C2     O2     115.817  121.900  0.700   -8.69  ?     
554   95  N3     C4     C5     126.127  121.900  0.400   10.57  ?     
555   96  C6     C5     C7     118.928  122.900  0.600   -6.62  ?     
556   96  C6     N1     C2     117.316  121.300  0.500   -7.97  ?     
557   96  N1     C2     N3     118.086  114.600  0.600    5.81  ?     
558   96  N3     C2     O2     116.377  122.300  0.600   -9.87  ?     
559   96  "O4'"  "C4'"  "C3'"  110.328  106.000  0.600    7.21  ?     
560   97  "C1'"  "O4'"  "C4'"  104.900  110.100  1.000   -5.20  ?     
561   97  C4     C5     C6     112.499  117.000  0.500   -9.00  ?     
562   97  C5     C6     N1     122.647  117.700  0.500    9.89  ?     
563   97  C5     C6     N6     128.174  123.700  0.800    5.59  ?     
564   97  C6     C5     N7     136.001  132.300  0.700    5.29  ?     
565   97  N1     C6     N6     108.762  118.600  0.600  -16.40  ?     
566   97  N7     C8     N9     110.094  113.800  0.500   -7.41  ?     
567   97  "O4'"  "C4'"  "C3'"  110.206  106.000  0.600    7.01  ?     
568   98  "C1'"  "O4'"  "C4'"  104.057  110.100  1.000   -6.04  ?     
569   98  C2     N3     C4     122.524  127.200  0.600   -7.79  ?     
570   98  "C4'"  "C3'"  "C2'"   97.825  103.100  0.900   -5.86  ?     
571   98  C4     C5     C6     121.464  118.000  0.600    5.77  ?     
572   98  N1     C2     N3     117.931  114.600  0.600    5.55  ?     
573   98  N1     C2     O2     127.820  123.100  0.800    5.90  ?     
574   98  N3     C2     O2     114.051  122.300  0.600  -13.75  ?     
575   98  "O4'"  "C1'"  "C2'"   98.121  105.900  0.800   -9.72  ?     
576   98  "O4'"  "C1'"  N1     118.241  108.000  0.700   14.63  ?     
577   99  "O3'"  P      "O5'"  115.399  104.000  1.900    6.00  Y     
578   99  "C1'"  "O4'"  "C4'"  115.947  110.100  1.000    5.85  ?     
579   99  C2     N3     C4     115.617  110.600  0.500   10.04  ?     
580   99  C5     N7     C8      99.113  103.900  0.500   -9.57  ?     
581   99  C8     N9     C4     101.825  105.800  0.400   -9.94  ?     
582   99  N1     C2     N3     126.592  129.300  0.500   -5.42  ?     
583   99  N1     C6     N6     115.092  118.600  0.600   -5.85  ?     
584   99  N7     C8     N9     117.211  113.800  0.500    6.82  ?     
585   99  "O4'"  "C1'"  "C2'"  100.240  105.900  0.800   -7.08  ?     
586   99  "O4'"  "C1'"  N9     113.034  108.000  0.700    7.19  ?     
587   99  "O4'"  "C4'"  "C3'"  101.955  104.500  0.400   -6.36  ?     
588  100  "C4'"  "C3'"  "C2'"   95.320  103.100  0.900   -8.64  ?     
589  100  C4     C5     N7     113.188  110.800  0.400    5.97  ?     
590  100  C5     N7     C8      97.349  104.300  0.500  -13.90  ?     
591  100  C8     N9     "C1'"  135.395  127.000  1.300    6.46  ?     
592  100  C8     N9     C4     100.269  106.400  0.400  -15.33  ?     
593  100  N7     C8     N9     120.608  113.100  0.500   15.02  ?     
594  100  "O4'"  "C4'"  "C3'"  114.326  106.000  0.600   13.88  ?     
595  101  C2     N3     C4     115.713  119.900  0.500   -8.37  ?     
596  101  N1     C2     O2     123.695  118.900  0.600    7.99  ?     
597  101  N3     C2     O2     114.761  121.900  0.700  -10.20  ?     
598  101  N3     C4     C5     125.100  121.900  0.400    8.00  ?     
599  101  N3     C4     N4     112.757  118.000  0.700   -7.49  ?     
600  101  "O4'"  "C1'"  N1     114.486  108.000  0.700    9.27  ?     
#
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   17  O15  C5   1.40  1.36  10000  0.02    2.09  0.00  
  2   17  C11  C9   1.39  1.46    432  0.02   -3.06  0.00  
  3   17  C12  C10  1.40  1.46    432  0.02   -2.63  0.00  
  4   17  C20  C19  1.40  1.51    151  0.02   -5.03  0.04  
  5   17  C20  C21  1.39  1.50     42  0.02   -7.19  0.06  
  6   17  C29  C20  1.50  1.55     21  0.02   -3.01  0.00  
  7   17  C21  N23  1.28  1.34     28  0.01   -3.86  0.03  
  8   17  N24  N23  1.15  1.41   1078  0.01  -17.87  0.14  
  9   17  O25  C78  1.47  1.41    447  0.03    2.31  0.00  
 10   17  C31  C28  1.59  1.52     25  0.02    3.40  0.03  
 11   17  O2D  C28  1.52  1.46     32  0.01    4.21  0.04  
 12   17  C39  C41  1.57  1.51     75  0.02    2.62  0.00  
 13   17  C44  C41  1.35  1.44     61  0.03   -3.29  0.04  
 14   17  C48  C42  1.60  1.52     25  0.02    4.18  0.05  
 15   17  C46  C45  1.53  1.50     45  0.01    2.81  0.02  
 16   17  O55  C46  1.46  1.42     28  0.02    2.35  0.01  
 17   17  C57  C58  1.37  1.52     63  0.05   -3.18  0.02  
 18   17  C63  C64  1.39  1.49     74  0.02   -5.26  0.01  
 19   17  C66  C65  1.40  1.53     23  0.03   -4.61  0.08  
 20   17  C66  C67  1.40  1.51    369  0.02   -4.76  0.00  
 21   17  C67  C68  1.43  1.37    282  0.02    3.50  0.01  
 22   17  N76  N75  1.11  1.41   1078  0.01  -20.38  0.18  
 23   17  C6A  C7A  1.59  1.53     62  0.01    4.50  0.03  
 24   17  C7C  C8A  1.58  1.51   2708  0.02    2.94  0.00  
 25   17  C3C  N8B  1.55  1.46   1356  0.04    2.57  0.00  
 26   17  O1D  C6F  1.48  1.42     20  0.02    2.64  0.00  
 27   17  C4D  C3D  1.56  1.51    457  0.02    2.60  0.00  
 28   17  C4D  C6D  1.56  1.52   2688  0.02    2.43  0.00  
 29   17  C0E  C6D  1.57  1.53   1761  0.02    2.03  0.00  
 30   17  O4E  C9D  1.39  1.44    937  0.02   -2.29  0.00  
 31   17  C5E  C9D  1.57  1.51   2708  0.02    2.35  0.00  
 32   17  O1F  C2F  1.51  1.42   9059  0.04    2.54  0.00  
 33   17  O0H  C9F  1.49  1.43    707  0.03    2.36  0.00  
 34   34  C6   C1   1.34  1.38  10000  0.02   -2.33  0.00  
 35   34  C3   C10  1.52  1.46   1080  0.03    2.25  0.00  
 36   34  C4   C9   1.51  1.46   1080  0.03    2.11  0.00  
 37   34  C11  C9   1.38  1.46    432  0.02   -3.56  0.00  
 38   34  C20  C19  1.35  1.51    151  0.02   -7.06  0.09  
 39   34  N24  N23  1.15  1.41   1078  0.01  -17.91  0.14  
 40   34  C39  C26  1.61  1.55     28  0.03    2.22  0.02  
 41   34  C31  C28  1.63  1.52     25  0.02    5.58  0.08  
 42   34  O43  C41  1.18  1.22   2118  0.02   -2.21  0.00  
 43   34  O1D  C42  1.43  1.46     32  0.01   -2.48  0.00  
 44   34  C51  C48  1.63  1.51   9762  0.04    2.84  0.00  
 45   34  C57  C58  1.40  1.52     63  0.05   -2.49  0.04  
 46   34  O61  C59  1.27  1.22   2118  0.02    2.64  0.00  
 47   34  C63  C64  1.40  1.49     74  0.02   -4.73  0.00  
 48   34  C66  C65  1.40  1.53     23  0.03   -4.36  0.08  
 49   34  C66  C67  1.43  1.51    369  0.02   -3.46  0.00  
 50   34  N76  N75  1.12  1.41   1078  0.01  -20.00  0.17  
 51   34  C79  C78  1.57  1.51    457  0.02    3.14  0.00  
 52   34  C79  C80  1.56  1.52   1329  0.02    2.24  0.00  
 53   34  C5A  C4A  1.45  1.51    457  0.02   -2.55  0.00  
 54   34  O5B  C4A  1.50  1.42    680  0.02    3.37  0.00  
 55   34  C5A  C6A  1.56  1.52   1329  0.02    2.29  0.00  
 56   34  C6A  C7A  1.58  1.53     62  0.01    4.11  0.02  
 57   34  O6B  C6A  1.35  1.43   7752  0.02   -3.72  0.00  
 58   34  C9B  N8B  1.53  1.46   1356  0.04    2.08  0.00  
 59   34  O1F  C2F  1.49  1.42   9059  0.04    2.02  0.00  
 60   34  C7F  C6F  1.57  1.51    457  0.02    3.07  0.01  
 61   34  C3G  C9F  1.58  1.53   1761  0.02    2.49  0.00  
 62   34  O0H  C9F  1.50  1.43    707  0.03    2.55  0.00  
 63   51  C6   C1   1.44  1.38  10000  0.02    3.00  0.00  
 64   51  C3   C10  1.51  1.46   1080  0.03    2.07  0.00  
 65   51  C11  C9   1.39  1.46    432  0.02   -3.05  0.00  
 66   51  C20  C19  1.34  1.51    151  0.02   -7.39  0.10  
 67   51  C20  C21  1.42  1.50     42  0.02   -5.28  0.03  
 68   51  C29  C20  1.49  1.55     21  0.02   -3.36  0.01  
 69   51  C21  N23  1.31  1.34     28  0.01   -2.19  0.00  
 70   51  C26  C22  1.56  1.51     75  0.02    2.20  0.01  
 71   51  N24  N23  1.14  1.41   1078  0.01  -18.18  0.15  
 72   51  C39  C26  1.61  1.55     28  0.03    2.07  0.01  
 73   51  C31  C28  1.57  1.52     25  0.02    2.76  0.02  
 74   51  C44  C41  1.34  1.44     61  0.03   -3.45  0.04  
 75   51  C48  C42  1.56  1.52     25  0.02    2.08  0.01  
 76   51  O1D  C42  1.52  1.46     32  0.01    3.76  0.03  
 77   51  C46  C45  1.55  1.50     45  0.01    4.29  0.04  
 78   51  C56  C45  1.31  1.36     69  0.02   -3.23  0.00  
 79   51  O55  C46  1.49  1.42     28  0.02    4.18  0.04  
 80   51  C57  C58  1.38  1.52     63  0.05   -3.00  0.03  
 81   51  C60  C58  1.41  1.47     72  0.03   -2.23  0.00  
 82   51  C63  C64  1.39  1.49     74  0.02   -5.30  0.01  
 83   51  C66  C65  1.43  1.53     23  0.03   -3.51  0.05  
 84   51  C66  C67  1.40  1.51    369  0.02   -4.99  0.00  
 85   51  O73  C68  1.39  1.32    590  0.03    2.58  0.00  
 86   51  N76  N75  1.14  1.41   1078  0.01  -18.54  0.15  
 87   51  O88  C78  1.49  1.42    680  0.02    2.65  0.00  
 88   51  C80  C81  1.56  1.53     62  0.01    2.12  0.00  
 89   51  C5A  C4A  1.59  1.51    457  0.02    3.77  0.01  
 90   51  C5A  C6A  1.56  1.52   1329  0.02    2.20  0.00  
 91   51  C7A  N8B  1.53  1.48     35  0.03    2.06  0.01  
 92   51  O2D  C3D  1.48  1.42     20  0.02    2.73  0.01  
 93   51  C4D  C6D  1.47  1.52   2688  0.02   -2.23  0.00  
 94   51  C0E  C9D  1.58  1.52    277  0.02    2.46  0.00  
 95   51  C5E  C9D  1.57  1.51   2708  0.02    2.27  0.00  
 96   51  O9E  C0E  1.47  1.43  10000  0.02    2.09  0.00  
 97   51  C7F  C6F  1.55  1.51    457  0.02    2.23  0.00  
 98   51  O7G  C6F  1.49  1.42    680  0.02    2.73  0.00  
 99   51  O0H  C9F  1.50  1.43    707  0.03    2.42  0.00  
100   68  C6   C5   1.34  1.39  10000  0.02   -3.08  0.00  
101   68  C11  C9   1.37  1.46    432  0.02   -3.96  0.01  
102   68  C20  C19  1.34  1.51    151  0.02   -7.24  0.10  
103   68  C20  C21  1.46  1.50     42  0.02   -2.75  0.00  
104   68  N24  N23  1.13  1.41   1078  0.01  -18.82  0.16  
105   68  O25  C78  1.47  1.41    447  0.03    2.32  0.00  
106   68  C28  C29  1.60  1.53     88  0.03    2.22  0.00  
107   68  C31  C28  1.61  1.52     25  0.02    4.31  0.05  
108   68  O2D  C28  1.52  1.46     32  0.01    3.90  0.03  
109   68  C39  C41  1.61  1.51     75  0.02    4.76  0.04  
110   68  C44  C41  1.33  1.44     61  0.03   -4.08  0.06  
111   68  C48  C42  1.58  1.52     25  0.02    3.00  0.02  
112   68  O55  C46  1.51  1.42     28  0.02    5.00  0.05  
113   68  C56  N75  1.29  1.34     28  0.01   -3.07  0.02  
114   68  C57  C58  1.35  1.52     63  0.05   -3.54  0.00  
115   68  C59  C67  1.54  1.47     72  0.03    2.65  0.00  
116   68  C63  C64  1.43  1.49     74  0.02   -3.44  0.01  
117   68  C66  C65  1.41  1.53     23  0.03   -4.00  0.07  
118   68  C66  C67  1.45  1.51    369  0.02   -2.62  0.00  
119   68  O73  C68  1.40  1.32    590  0.03    3.06  0.00  
120   68  N76  N75  1.15  1.41   1078  0.01  -17.91  0.14  
121   68  C80  C81  1.59  1.53     62  0.01    4.78  0.03  
122   68  C5A  C4A  1.59  1.51    457  0.02    3.81  0.01  
123   68  O6B  C6A  1.37  1.43   7752  0.02   -2.96  0.00  
124   68  O1D  C6F  1.49  1.42     20  0.02    2.88  0.01  
125   68  O2D  C3D  1.52  1.42     20  0.02    4.35  0.04  
126   68  C0E  C9D  1.58  1.52    277  0.02    2.73  0.00  
127   68  C7F  C6F  1.56  1.51    457  0.02    2.59  0.00  
128   68  O7G  C2G  1.38  1.44    937  0.02   -2.52  0.00  
129   68  O0H  C1H  1.49  1.42   9059  0.04    2.05  0.00  
130   85  C11  C9   1.38  1.46    432  0.02   -3.17  0.01  
131   85  C20  C19  1.35  1.51    151  0.02   -7.14  0.09  
132   85  C20  C21  1.47  1.50     42  0.02   -2.12  0.01  
133   85  C29  C20  1.49  1.55     21  0.02   -3.16  0.01  
134   85  C26  C22  1.56  1.51     75  0.02    2.54  0.00  
135   85  N24  N23  1.13  1.41   1078  0.01  -19.33  0.16  
136   85  C39  C26  1.61  1.55     28  0.03    2.43  0.02  
137   85  C28  C29  1.64  1.53     88  0.03    3.30  0.01  
138   85  C31  C28  1.59  1.52     25  0.02    3.59  0.04  
139   85  O2D  C28  1.50  1.46     32  0.01    2.70  0.02  
140   85  C44  C41  1.37  1.44     61  0.03   -2.46  0.02  
141   85  C48  C42  1.61  1.52     25  0.02    4.48  0.06  
142   85  C46  C45  1.56  1.50     45  0.01    5.07  0.05  
143   85  O55  C46  1.47  1.42     28  0.02    2.81  0.01  
144   85  C56  N75  1.30  1.34     28  0.01   -2.91  0.01  
145   85  C57  C58  1.39  1.52     63  0.05   -2.64  0.04  
146   85  C59  C67  1.55  1.47     72  0.03    3.18  0.01  
147   85  O62  C60  1.16  1.22   2118  0.02   -3.44  0.00  
148   85  C63  C64  1.37  1.49     74  0.02   -6.26  0.02  
149   85  C66  C65  1.37  1.53     23  0.03   -5.57  0.11  
150   85  C66  C67  1.42  1.51    369  0.02   -3.94  0.01  
151   85  N76  N75  1.12  1.41   1078  0.01  -19.45  0.16  
152   85  C9B  N8B  1.56  1.46   1356  0.04    2.83  0.00  
153   85  C5E  C9D  1.59  1.51   2708  0.02    3.13  0.00  
154   85  C7F  C6F  1.56  1.51    457  0.02    2.35  0.00  
155   85  C7F  C9F  1.58  1.52   2688  0.02    3.33  0.00  
156   85  C5H  C2G  1.59  1.51   2708  0.02    3.27  0.00  
157   85  O0H  C1H  1.50  1.42   9059  0.04    2.46  0.00  
158  102  C1   C2   1.44  1.39  10000  0.02    2.92  0.00  
159  102  C3   C10  1.53  1.46   1080  0.03    2.62  0.00  
160  102  C11  C9   1.34  1.46    432  0.02   -5.21  0.04  
161  102  C20  C19  1.37  1.51    151  0.02   -6.04  0.07  
162  102  C29  C20  1.49  1.55     21  0.02   -3.42  0.01  
163  102  C21  N23  1.30  1.34     28  0.01   -2.48  0.01  
164  102  N24  N23  1.15  1.41   1078  0.01  -17.79  0.14  
165  102  C39  C26  1.63  1.55     28  0.03    3.08  0.04  
166  102  C31  C28  1.57  1.52     25  0.02    2.63  0.02  
167  102  C44  C41  1.38  1.44     61  0.03   -2.21  0.01  
168  102  C48  C42  1.61  1.52     25  0.02    4.42  0.05  
169  102  C51  C48  1.60  1.51   9762  0.04    2.08  0.00  
170  102  C56  N75  1.29  1.34     28  0.01   -3.63  0.02  
171  102  C57  C58  1.39  1.52     63  0.05   -2.64  0.04  
172  102  C63  C64  1.40  1.49     74  0.02   -4.90  0.00  
173  102  C66  C65  1.43  1.53     23  0.03   -3.56  0.05  
174  102  C66  C67  1.40  1.51    369  0.02   -4.82  0.00  
175  102  N76  N75  1.14  1.41   1078  0.01  -18.62  0.15  
176  102  O88  C78  1.47  1.42    680  0.02    2.12  0.00  
177  102  C81  N93  1.54  1.48     35  0.03    2.46  0.00  
178  102  C5A  C4A  1.56  1.51    457  0.02    2.47  0.00  
179  102  C6A  C7A  1.57  1.53     62  0.01    2.86  0.00  
180  102  O5B  C8A  1.50  1.44    937  0.02    2.33  0.00  
181  102  C4D  C6D  1.57  1.52   2688  0.02    2.64  0.00  
182  102  C0E  C6D  1.57  1.53   1761  0.02    2.29  0.00  
183  102  C0E  C9D  1.58  1.52    277  0.02    2.72  0.00  
184  102  C5E  C9D  1.59  1.51   2708  0.02    3.20  0.00  
185  102  O1F  C2F  1.49  1.42   9059  0.04    2.17  0.00  
186  102  C7F  C6F  1.55  1.51    457  0.02    2.22  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   17  C6   C1   C2   116.98  120.50   6324  1.03  -3.43   0.00  
  2   17  C5   C4   C9   117.61  121.47    461  1.47  -2.63   0.06  
  3   17  C29  C20  C21  127.08  114.03     23  4.76   2.74   4.02  
  4   17  C21  N23  N24  177.88  122.20     21  1.51  36.81  52.73  
  5   17  C45  C44  C58  105.19  109.38     24  1.54  -2.71   1.82  
  6   17  C44  C45  C56  109.69  106.64     20  1.29   2.36   0.07  
  7   17  C51  C48  C42  118.94  115.52     25  1.61   2.12   0.13  
  8   17  C4A  O55  C46  119.33  115.20     26  1.39   2.97   1.17  
  9   17  C56  C57  C58  111.97  101.16     24  4.56   2.37   2.99  
 10   17  O61  C59  C67  127.13  121.87     72  1.99   2.65   0.39  
 11   17  O62  C60  C58  128.60  121.87     72  1.99   3.39   1.08  
 12   17  C60  C66  C67  118.01  107.56     22  3.23   3.24   2.66  
 13   17  C66  C67  C68  119.16  122.30     32  0.68  -4.61   1.18  
 14   17  O73  C68  C63  119.97  113.27    138  1.64   4.09   0.75  
 15   17  O73  C68  C67  119.14  123.13    282  1.57  -2.54   0.00  
 16   17  C56  N75  N76  171.35  122.20     21  1.51  32.49  46.20  
 17   17  O25  C78  C79  101.98  108.41    155  1.93  -3.32   0.18  
 18   17  O88  C78  C79  106.89  110.87    276  1.51  -2.64   0.60  
 19   17  C0A  N93  C96  120.33  110.38    678  2.95   3.37   0.63  
 20   17  O5B  C4A  C5A  102.31  110.87    276  1.51  -5.68   0.13  
 21   17  O2D  C3D  C4D  116.97  108.91    111  1.38   5.86   5.11  
 22   17  O4E  C3D  C4D  104.09  110.87    276  1.51  -4.50   0.68  
 23   17  C3D  C4D  C6D  116.56  111.11    111  1.93   2.82   1.56  
 24   17  O9E  C0E  C6D  103.50  109.30   1761  2.48  -2.34   0.14  
 25   17  C3D  O4E  C9D  119.93  113.84    356  2.69   2.26   0.07  
 26   17  O7G  C6F  O1D  114.58  109.56     70  2.19   2.29   1.47  
 27   17  O7G  C2G  C3G  103.03  109.52    273  1.79  -3.62   0.32  
 28   17  C9F  C3G  C2G  113.46  110.04     40  1.69   2.02   0.01  
 29   34  O17  C2   C3   117.06  121.14   2569  1.87  -2.18   0.01  
 30   34  C3   C4   C5   112.85  119.30    259  1.46  -4.40   0.47  
 31   34  C3   C4   C9   123.31  119.64    230  1.76   2.09   0.37  
 32   34  C6   C5   C4   126.13  120.17   1058  1.29   4.63   0.10  
 33   34  O15  C5   C4   115.47  121.14   2569  1.87  -3.03   0.06  
 34   34  C1   C6   C5   117.42  120.50   6324  1.03  -3.00   0.00  
 35   34  O13  C9   C4   116.92  121.99   1080  1.89  -2.68   0.05  
 36   34  C11  C12  C10  125.75  121.89     26  1.76   2.19   0.86  
 37   34  C11  C12  C21  111.20  107.35     22  0.48   7.94   2.77  
 38   34  C20  C19  C11  106.39  109.02     23  1.11  -2.38   0.73  
 39   34  C29  C20  C21  124.72  114.03     23  4.76   2.25   1.66  
 40   34  O38  C22  C26  126.03  121.21     75  2.05   2.34   0.37  
 41   34  C21  N23  N24  178.06  122.20     21  1.51  36.93  52.92  
 42   34  C45  C44  C58  101.40  109.38     24  1.54  -5.17   5.61  
 43   34  C44  C45  C56  112.39  106.64     20  1.29   4.46   2.64  
 44   34  C4A  O55  C46  120.09  115.20     26  1.39   3.51   1.93  
 45   34  C45  C56  N75  123.44  126.35     30  0.91  -3.21   0.38  
 46   34  C60  C66  C67  121.25  107.56     22  3.23   4.24   5.89  
 47   34  C66  C67  C68  118.98  122.30     32  0.68  -4.86   1.36  
 48   34  O73  C68  C63  122.32  113.27    138  1.64   5.52   1.02  
 49   34  O73  C68  C67  116.03  123.13    282  1.57  -4.52   1.45  
 50   34  C56  N75  N76  167.92  122.20     21  1.51  30.22  42.78  
 51   34  O25  C78  O88  120.03  109.86    324  3.23   3.15   3.72  
 52   34  O88  C78  C79  106.82  110.87    276  1.51  -2.69   0.53  
 53   34  O55  C4A  C5A  113.08  108.41    155  1.93   2.42   0.29  
 54   34  O5B  C4A  C5A  106.38  110.87    276  1.51  -2.98   0.10  
 55   34  O6B  C6A  C7A  118.36  110.08     62  2.53   3.27   2.83  
 56   34  C3C  N8B  C7A  119.36  113.59     70  2.37   2.43   1.69  
 57   34  C42  O1D  C6F  124.67  119.24     21  2.02   2.69   1.55  
 58   34  O4E  C3D  O2D  115.97  109.56     70  2.19   2.93   2.86  
 59   34  O1F  C6D  C0E  101.39  108.87     31  2.86  -2.62   2.70  
 60   34  O7G  C6F  O1D  120.37  109.56     70  2.19   4.94   7.26  
 61   34  O7G  C6F  C7F  104.79  110.87    276  1.51  -4.03   0.03  
 62   34  C6F  C7F  C9F  115.89  111.11    111  1.93   2.48   0.90  
 63   34  O7G  C2G  C3G  114.28  109.52    273  1.79   2.65   0.04  
 64   34  C5H  C2G  C3G  117.53  113.07    277  1.85   2.41   0.19  
 65   51  O17  C2   C1   113.80  119.33  10000  2.72  -2.04   0.01  
 66   51  C3   C4   C9   124.06  119.64    230  1.76   2.52   0.39  
 67   51  C5   C4   C9   117.92  121.47    461  1.47  -2.42   0.07  
 68   51  C6   C5   C4   122.83  120.17   1058  1.29   2.07   0.14  
 69   51  C1   C6   C5   115.95  120.50   6324  1.03  -4.43   0.01  
 70   51  C3   C10  C12  112.21  116.93     71  2.03  -2.32   0.12  
 71   51  O14  C10  C12  128.83  122.35    432  1.76   3.69   1.84  
 72   51  C20  C19  C11  104.96  109.02     23  1.11  -3.68   2.17  
 73   51  O38  C22  C19  116.93  121.87     72  1.99  -2.49   1.63  
 74   51  O38  C22  C26  125.37  121.21     75  2.05   2.03   0.00  
 75   51  C21  N23  N24  176.11  122.20     21  1.51  35.64  50.96  
 76   51  O2D  C28  C29  113.89  111.08     22  1.30   2.18   0.89  
 77   51  C45  C44  C58  104.09  109.38     24  1.54  -3.42   2.92  
 78   51  C44  C45  C56  112.42  106.64     20  1.29   4.49   2.67  
 79   51  C51  C48  C42  122.29  115.52     25  1.61   4.20   2.70  
 80   51  C56  C57  C58  111.26  101.16     24  4.56   2.22   2.28  
 81   51  C60  C66  C67  121.82  107.56     22  3.23   4.42   6.47  
 82   51  O73  C68  C63  117.36  113.27    138  1.64   2.50   0.23  
 83   51  C56  N75  N76  175.23  122.20     21  1.51  35.06  50.09  
 84   51  O25  C78  C79  102.83  108.41    155  1.93  -2.89   0.17  
 85   51  O88  C78  C79  117.16  110.87    276  1.51   4.17   1.96  
 86   51  O94  C80  C79  102.15  109.94   1329  2.48  -3.14   0.02  
 87   51  O94  C80  C81  118.34  110.08     62  2.53   3.27   2.82  
 88   51  C78  O88  C77  107.09  113.84    356  2.69  -2.51   0.34  
 89   51  O55  C4A  C5A  103.23  108.41    155  1.93  -2.68   0.24  
 90   51  O6B  C6A  C5A  102.45  109.94   1329  2.48  -3.02   0.27  
 91   51  C28  O2D  C3D  112.92  119.24     21  2.02  -3.14   3.11  
 92   51  C2F  O1F  C6D  119.55  114.03    707  2.69   2.05   0.16  
 93   51  O1D  C6F  C7F  114.33  108.91    111  1.38   3.94   2.47  
 94   51  O7G  C6F  C7F  105.69  110.87    276  1.51  -3.43   0.59  
 95   68  C4   C3   C2   122.30  119.30    259  1.46   2.05   0.20  
 96   68  C3   C4   C5   114.46  119.30    259  1.46  -3.31   0.91  
 97   68  C6   C5   C4   123.48  120.17   1058  1.29   2.57   0.01  
 98   68  O13  C9   C4   115.68  121.99   1080  1.89  -3.34   0.06  
 99   68  C11  C12  C21  111.50  107.35     22  0.48   8.56   3.08  
100   68  C20  C19  C11  104.48  109.02     23  1.11  -4.11   2.64  
101   68  O38  C22  C19  117.75  121.87     72  1.99  -2.08   0.82  
102   68  O38  C22  C26  129.06  121.21     75  2.05   3.82   2.67  
103   68  C21  N23  N24  170.53  122.20     21  1.51  31.95  45.38  
104   68  C31  C28  C29  122.15  111.41     23  2.87   3.74   6.75  
105   68  O2D  C28  C29  107.85  111.08     22  1.30  -2.49   0.49  
106   68  C45  C44  C58  105.07  109.38     24  1.54  -2.79   1.95  
107   68  C44  C45  C56  110.86  106.64     20  1.29   3.28   1.11  
108   68  C51  C48  C42  120.43  115.52     25  1.61   3.04   0.84  
109   68  C4A  O55  C46  120.42  115.20     26  1.39   3.76   2.27  
110   68  C56  C57  C58  111.90  101.16     24  4.56   2.36   2.92  
111   68  O62  C60  C58  126.20  121.87     72  1.99   2.18   0.15  
112   68  O71  C65  C64  114.13  121.96     47  3.52  -2.22   1.00  
113   68  C60  C66  C67  125.60  107.56     22  3.23   5.59  10.24  
114   68  C66  C67  C68  120.17  122.30     32  0.68  -3.12   0.17  
115   68  C56  N75  N76  173.51  122.20     21  1.51  33.92  48.37  
116   68  O94  C80  C79  104.44  109.94   1329  2.48  -2.22   0.11  
117   68  O94  C80  C81  115.40  110.08     62  2.53   2.10   0.13  
118   68  O55  C4A  C5A  114.87  108.41    155  1.93   3.35   0.13  
119   68  O5B  C4A  C5A  106.87  110.87    276  1.51  -2.66   0.58  
120   68  C28  O2D  C3D  123.44  119.24     21  2.02   2.09   0.33  
121   68  O2D  C3D  C4D  111.74  108.91    111  1.38   2.06   0.13  
122   68  O4E  C3D  C4D  105.23  110.87    276  1.51  -3.74   0.47  
123   68  C5E  C9D  C0E  107.84  113.07    277  1.85  -2.83   0.05  
124   68  O4E  C9D  C5E  102.11  106.70    937  2.16  -2.13   0.00  
125   68  C6D  C0E  C9D  104.06  110.04     40  1.69  -3.54   1.96  
126   68  C3D  O4E  C9D  119.75  113.84    356  2.69   2.19   0.25  
127   68  O7G  C6F  C7F  117.47  110.87    276  1.51   4.37   2.27  
128   68  C5H  C2G  C3G  122.64  113.07    277  1.85   5.18   0.21  
129   68  O7G  C2G  C5H  101.24  106.70    937  2.16  -2.53   0.01  
130   68  C9F  C3G  C2G  114.73  110.04     40  1.69   2.76   0.34  
131   68  O8G  C3G  C9F  117.16  109.30   1761  2.48   3.17   0.00  
132   68  C1H  O0H  C9F  125.87  114.03    707  2.69   4.40   0.52  
133   85  C1   C6   C5   117.91  120.50   6324  1.03  -2.52   0.00  
134   85  C11  C12  C21  109.87  107.35     22  0.48   5.19   1.44  
135   85  C20  C19  C11  104.84  109.02     23  1.11  -3.78   2.28  
136   85  C29  C20  C21  124.52  114.03     23  4.76   2.21   1.47  
137   85  O38  C22  C19  126.05  121.87     72  1.99   2.11   0.29  
138   85  O38  C22  C26  114.20  121.21     75  2.05  -3.42   0.87  
139   85  C21  N23  N24  176.85  122.20     21  1.51  36.13  51.70  
140   85  O43  C41  C39  115.39  121.21     75  2.05  -2.83   0.33  
141   85  C45  C44  C58  104.95  109.38     24  1.54  -2.87   2.06  
142   85  C44  C45  C56  110.61  106.64     20  1.29   3.08   0.86  
143   85  C4A  O55  C46  121.51  115.20     26  1.39   4.54   3.36  
144   85  C56  C57  C58  111.04  101.16     24  4.56   2.17   2.06  
145   85  O61  C59  C67  125.90  121.87     72  1.99   2.03   0.22  
146   85  C60  C66  C67  119.87  107.56     22  3.23   3.81   4.51  
147   85  C66  C67  C68  116.45  122.30     32  0.68  -8.58   3.89  
148   85  O73  C68  C67  119.52  123.13    282  1.57  -2.30   0.03  
149   85  C56  N75  N76  175.70  122.20     21  1.51  35.37  50.56  
150   85  O94  C80  C79  102.26  109.94   1329  2.48  -3.10   0.09  
151   85  O6B  C6A  C5A   99.32  109.94   1329  2.48  -4.28   0.87  
152   85  C28  O2D  C3D  124.25  119.24     21  2.02   2.48   1.13  
153   85  O4E  C3D  O2D  114.93  109.56     70  2.19   2.45   1.82  
154   85  O4E  C3D  C4D  107.54  110.87    276  1.51  -2.21   0.02  
155   85  O4E  C9D  C0E  101.42  109.52    273  1.79  -4.51   1.92  
156   85  O4E  C9D  C5E  102.16  106.70    937  2.16  -2.10   0.02  
157   85  O9E  C0E  C9D  105.03  109.67    277  2.22  -2.09   0.04  
158   85  O7G  C6F  C7F  105.63  110.87    276  1.51  -3.47   0.65  
159   85  C7F  C9F  C3G  116.28  110.77     71  1.88   2.94   0.43  
160   85  O7G  C2G  C3G  104.83  109.52    273  1.79  -2.61   0.88  
161   85  C9F  C3G  C2G  106.09  110.04     40  1.69  -2.33   0.07  
162   85  O8G  C3G  C9F  115.87  109.30   1761  2.48   2.65   0.03  
163  102  C6   C1   C2   118.40  120.50   6324  1.03  -2.04   0.01  
164  102  O17  C2   C3   125.71  121.14   2569  1.87   2.44   0.03  
165  102  C1   C6   C5   123.83  120.50   6324  1.03   3.24   0.03  
166  102  O13  C9   C4   116.44  121.99   1080  1.89  -2.94   0.26  
167  102  C11  C12  C21  110.17  107.35     22  0.48   5.81   1.74  
168  102  C20  C19  C11  106.70  109.02     23  1.11  -2.10   0.42  
169  102  C29  C20  C21  125.87  114.03     23  4.76   2.49   2.82  
170  102  O38  C22  C19  129.66  121.87     72  1.99   3.92   2.14  
171  102  C21  N23  N24  175.78  122.20     21  1.51  35.42  50.64  
172  102  C28  C26  C22  104.11  109.85     21  2.66  -2.16   1.69  
173  102  C31  C28  C29  117.68  111.41     23  2.87   2.18   2.28  
174  102  O1D  C42  C46  117.74  110.45     22  2.33   3.13   2.96  
175  102  C45  C44  C58  104.54  109.38     24  1.54  -3.13   2.47  
176  102  C44  C45  C56  109.91  106.64     20  1.29   2.54   0.16  
177  102  C51  C48  C42  119.92  115.52     25  1.61   2.72   0.32  
178  102  C45  C56  N75  124.17  126.35     30  0.91  -2.40   0.35  
179  102  O71  C65  C64  112.87  121.96     47  3.52  -2.58   0.72  
180  102  C60  C66  C67  122.39  107.56     22  3.23   4.59   7.03  
181  102  C66  C67  C68  120.13  122.30     32  0.68  -3.19   0.21  
182  102  O73  C68  C63  118.17  113.27    138  1.64   2.99   0.04  
183  102  C56  N75  N76  178.24  122.20     21  1.51  37.04  53.09  
184  102  O94  C80  C79  103.79  109.94   1329  2.48  -2.48   0.21  
185  102  O55  C4A  O5B  116.54  109.86    324  3.23   2.07   0.23  
186  102  O5B  C8A  C7C  100.56  106.70    937  2.16  -2.85   0.32  
187  102  C3C  N8B  C7A  119.09  113.59     70  2.37   2.32   1.42  
188  102  O4E  C3D  C4D  107.29  110.87    276  1.51  -2.38   0.23  
189  102  C4D  C6D  C0E  106.86  110.77     71  1.88  -2.09   0.15  
190  102  O4E  C9D  C0E  104.45  109.52    273  1.79  -2.82   1.11  
191  102  O7G  C6F  O1D  117.73  109.56     70  2.19   3.73   4.62  
192  102  O7G  C6F  C7F  106.29  110.87    276  1.51  -3.04   0.00  
193  102  O7G  C2G  C3G  105.74  109.52    273  1.79  -2.11   0.03  
194  102  O8G  C3G  C9F  114.86  109.30   1761  2.48   2.24   0.03  
195  102  O8G  C3G  C2G  104.35  109.67    277  2.22  -2.40   0.34  
#
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   17  C79  C78  O25  C29   138.15  24.16  347  10.02   0.08  4.90  
 2   17  O88  C78  O25  C29    24.12  53.20  341  13.05  19.14  0.00  
 3   17  C22  C26  C39  C41   -24.28  71.17   41  54.36   8.02  2.44  
 4   17  C22  C26  C39  C42   105.75  52.28   33  17.53  12.90  0.00  
 5   17  C28  C26  C39  C41   102.00  51.49   33  20.29   9.16  3.03  
 6   17  C28  C26  C39  C42  -127.97  57.52   42  20.38  15.21  0.00  
 7   17  C26  C28  C31  C34   141.31  59.00   42  25.37  19.76  0.00  
 8   17  C29  C28  C31  C34    17.51  89.23   46  54.86  34.48  0.00  
 9   17  O2D  C28  C31  C34  -108.45  54.65   40  10.47  36.08  0.00  
10   17  C39  C42  C48  C51   153.29  60.71   42  37.04   7.79  2.38  
11   17  C46  C42  C48  C51    33.56  73.17   46  54.86  18.42  0.00  
12   17  O1D  C42  C48  C51   -92.95  46.12   40  21.05  20.58  0.00  
13   17  C42  C46  O55  C4A   107.08  29.52   64  15.27   2.09  4.69  
14   17  O5B  C4A  O55  C46    44.32  33.00  341  13.05   1.06  0.29  
15   34  C79  C78  O25  C29   136.66  25.60  347   9.94   1.41  3.17  
16   34  O88  C78  O25  C29    12.89  64.42  341  13.05  30.37  0.00  
17   34  C22  C26  C39  C41   -24.20  71.25   41  54.37   8.09  2.44  
18   34  C28  C26  C39  C41   103.31  51.76   33  19.28  10.47  0.00  
19   34  C28  C26  C39  C42  -132.30  57.73   42  24.21  10.88  0.00  
20   34  C26  C28  C31  C34   151.71  60.48   42  35.49   9.36  2.38  
21   34  C29  C28  C31  C34    33.26  73.48   46  54.86  18.72  0.00  
22   34  O2D  C28  C31  C34   -94.75  47.11   40  19.68  22.37  0.00  
23   34  C39  C42  C48  C51   157.61  61.33   42  41.28   3.46  2.38  
24   34  C46  C42  C48  C51    36.22  70.52   46  54.86  15.76  0.00  
25   34  O1D  C42  C48  C51   -84.69  41.58   40  27.53  12.32  0.00  
26   34  O5B  C4A  O55  C46    32.13  45.19  341  13.05  11.13  0.00  
27   51  O88  C78  O25  C29    28.55  48.77  341  13.05  14.71  0.00  
28   51  C22  C26  C39  C41   -25.38  70.13   41  54.30   6.92  2.44  
29   51  C22  C26  C39  C42   101.96  51.48   33  20.32   9.12  3.03  
30   51  C29  C28  C31  C34    36.65  70.09   46  54.86  15.34  0.00  
31   51  O2D  C28  C31  C34   -92.91  46.10   40  21.08  20.54  0.00  
32   51  C39  C42  C48  C51   151.72  60.48   42  35.51   9.35  2.38  
33   51  C46  C42  C48  C51    26.83  79.91   46  54.86  25.16  0.00  
34   51  O1D  C42  C48  C51   -94.13  46.77   40  20.15  21.76  0.00  
35   51  O5B  C4A  O55  C46    47.25  30.08  341  13.02   3.99  1.17  
36   68  C28  C29  O25  C78    96.17  37.59   75  15.72   0.37  2.67  
37   68  O88  C78  O25  C29    22.36  54.95  341  13.05  20.89  0.00  
38   68  C22  C26  C39  C41   -24.83  70.65   41  54.33   7.46  2.44  
39   68  C22  C26  C39  C42   102.82  51.66   33  19.66   9.98  3.03  
40   68  C28  C26  C39  C41   107.69  52.69   33  16.23  14.85  0.00  
41   68  C28  C26  C39  C42  -124.65  57.36   42  17.59  18.52  0.00  
42   68  C26  C28  C31  C34   143.55  59.32   42  27.54  17.52  0.00  
43   68  C29  C28  C31  C34    22.45  84.29   46  54.86  29.53  0.00  
44   68  O2D  C28  C31  C34  -100.48  50.26   40  15.47  28.10  0.00  
45   68  C39  C42  C48  C51   143.38  59.29   42  27.37  17.70  0.00  
46   68  C46  C42  C48  C51    26.33  80.41   46  54.86  25.66  0.00  
47   68  O1D  C42  C48  C51   -99.80  49.89   40  15.96  27.42  0.00  
48   68  O5B  C4A  O55  C46    39.13  38.19  341  13.05   4.13  0.29  
49   85  O88  C78  O25  C29    26.62  50.70  341  13.05  16.64  0.00  
50   85  C22  C26  C39  C41   -20.87  74.41   41  54.56   9.95  2.44  
51   85  C22  C26  C39  C42   102.40  51.57   33  19.98   9.56  3.03  
52   85  C28  C26  C39  C41   103.79  51.86   33  18.93  10.95  0.00  
53   85  C28  C26  C39  C42  -132.93  57.76   42  24.79  10.25  0.00  
54   85  C26  C28  C31  C34   151.41  60.44   42  35.20   9.66  2.38  
55   85  C29  C28  C31  C34    31.10  75.64   46  54.86  20.88  0.00  
56   85  O2D  C28  C31  C34   -92.29  45.76   40  21.56  19.92  0.00  
57   85  C39  C42  C48  C51   147.87  59.93   42  31.75  13.20  0.00  
58   85  C46  C42  C48  C51    23.76  82.97   46  54.86  28.22  0.00  
59   85  O1D  C42  C48  C51   -97.11  48.41   40  17.92  24.73  0.00  
60   85  O5B  C4A  O55  C46    36.38  40.94  341  13.05   6.88  0.29  
61  102  C79  C78  O25  C29   131.68  30.47  347   9.60   6.39  0.86  
62  102  O88  C78  O25  C29     8.50  68.82  341  13.05  34.76  0.00  
63  102  C22  C26  C39  C41   -28.27  67.37   41  54.15   4.02  2.44  
64  102  C28  C26  C39  C42  -132.59  57.74   42  24.48  10.59  0.00  
65  102  C29  C28  C31  C34    42.58  64.16   46  54.86   9.41  2.17  
66  102  O2D  C28  C31  C34   -84.82  41.65   40  27.43  12.45  0.00  
67  102  C46  C42  C48  C51    44.08  62.66   46  54.86   7.91  4.35  
68  102  O1D  C42  C48  C51   -81.99  40.09   40  29.69   9.62  2.50  
69  102  O5B  C4A  O55  C46    37.39  39.93  341  13.05   5.87  0.29  
70  102  C4D  C6D  O1F  C2F    50.26  53.21  333  36.72   1.54  2.70  
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           1
_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           236
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           236
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            236
_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  151  165  316  overall  Total  
 2  111   81  192  sugar    Total  
 3   40   84  124  base     Total  
 4  151   37  188  overall  H      
 5  111    1  112  sugar    H      
 6   40   36   76  base     H      
 7    0  108  108  overall  C      
 8    0   80   80  sugar    C      
 9    0   28   28  base     C      
10    0   20   20  overall  N      
11    0   20   20  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  151  165  316  overall  Total  
 2  111   81  192  sugar    Total  
 3   40   84  124  base     Total  
 4  151   37  188  overall  H      
 5  111    1  112  sugar    H      
 6   40   36   76  base     H      
 7    0  108  108  overall  C      
 8    0   80   80  sugar    C      
 9    0   28   28  base     C      
10    0   20   20  overall  N      
11    0   20   20  base     N      
#
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  chemicalshifts  2.23.2                                                                Y  
4  panav           "Wang et al. (2010)"                                                  Y  
5  rci             "v_1n_11_5_13_A (Berjanski et al., 2005)"                             N  
6  percentiles     "20191225.v01 (using entries in the PDB archive December 25th 2019)"  N  
##
