data_6RQS

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   6RQS   
BMRB  34400  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    6RQS
_pdbx_vrpt_summary.PDB_deposition_date         2019-05-16
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-06:17:31
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  ARG-ARG-TRP-ARG-ARG-TRP-TRP-ARG-ARG-TRP-TRP-ARG-ARG-TRP-ARG-ARG
#
_pdbx_vrpt_asym.label_asym_id  A
_pdbx_vrpt_asym.entity_id      1
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb    
2  nmr  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
#
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   79.73  158937  ?     ?     
2  2  1   74.91   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3    4.97  154315  ?     ?     
6  2  3   41.06   11428  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A   1  1  A  100.00  
 2  4  2  A   1  1  A  100.00  
 3  5  3  A   1  1  A    4.30  
 4  6  3  A   1  1  A    4.30  
 5  3  2  A   2  1  A  100.00  
 6  4  2  A   2  1  A  100.00  
 7  5  3  A   2  1  A    1.29  
 8  6  3  A   2  1  A    1.29  
 9  3  2  A   3  1  A  100.00  
10  4  2  A   3  1  A  100.00  
11  5  3  A   3  1  A    0.40  
12  6  3  A   3  1  A    0.40  
13  3  2  A   4  1  A  100.00  
14  4  2  A   4  1  A  100.00  
15  5  3  A   4  1  A    4.30  
16  6  3  A   4  1  A    4.30  
17  3  2  A   5  1  A  100.00  
18  4  2  A   5  1  A  100.00  
19  5  3  A   5  1  A    1.29  
20  6  3  A   5  1  A    1.29  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A    4.30  
24  6  3  A   6  1  A    4.30  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A   17.59  
28  6  3  A   7  1  A   17.59  
29  3  2  A   8  1  A  100.00  
30  4  2  A   8  1  A  100.00  
31  5  3  A   8  1  A   17.59  
32  6  3  A   8  1  A   17.59  
33  3  2  A   9  1  A  100.00  
34  4  2  A   9  1  A  100.00  
35  5  3  A   9  1  A   17.59  
36  6  3  A   9  1  A   17.59  
37  3  2  A  10  1  A  100.00  
38  4  2  A  10  1  A  100.00  
39  5  3  A  10  1  A    1.29  
40  6  3  A  10  1  A    1.29  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  0.39  0.26  206  275  
 2   2  1  A  A  0.39  0.27  206  275  
 3   3  1  A  A  0.41  0.28  206  275  
 4   4  1  A  A  0.39  0.27  206  275  
 5   5  1  A  A  0.43  0.27  206  275  
 6   6  1  A  A  0.40  0.29  206  275  
 7   7  1  A  A  0.40  0.27  206  275  
 8   8  1  A  A  0.39  0.25  206  275  
 9   9  1  A  A  0.40  0.28  206  275  
10  10  1  A  A  0.41  0.27  206  275  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   16.36
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       13.75
_pdbx_vrpt_summary_geometry.clashscore                                 2.65
_pdbx_vrpt_summary_geometry.clashscore_full_length                     7.49
_pdbx_vrpt_summary_geometry.num_H_reduce                               1920
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             2060
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.27
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            2750
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.40
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.nmr_models_consistency_flag              True
_pdbx_vrpt_summary_nmr.nmrclust_representative_model            6
_pdbx_vrpt_summary_nmr.medoid_model                             1
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              3
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                10
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              3
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              53.36
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  50.86
#
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_clashes
  1   1  1  A   3  ARG  A   1  .  ?        ?  
  2   1  1  A   4  ARG  A   2  .  ?        ?  
  3   1  1  A   5  TRP  A   3  .  ?        1  
  4   1  1  A   6  ARG  A   4  .  ?        ?  
  5   1  1  A   7  ARG  A   5  .  ?        ?  
  6   1  1  A   8  TRP  A   6  .  ?        1  
  7   1  1  A   9  TRP  A   7  .  ?        ?  
  8   1  1  A  10  ARG  A   8  .  ?        ?  
  9   1  1  A  11  ARG  A   9  .  ?        ?  
 10   1  1  A  12  TRP  A  10  .  ?        ?  
 11   1  1  A  13  TRP  A  11  .  ?        ?  
 12   1  1  A  14  ARG  A  12  .  ?        1  
 13   1  1  A  15  ARG  A  13  .  ?        ?  
 14   1  1  A  16  TRP  A  14  .  ?        ?  
 15   1  1  A  17  ARG  A  15  .  ?        1  
 16   1  1  A  18  ARG  A  16  .  ?        2  
 17   2  1  A   3  ARG  A   1  .  ?        ?  
 18   2  1  A   4  ARG  A   2  .  ?        1  
 19   2  1  A   5  TRP  A   3  .  ?        2  
 20   2  1  A   6  ARG  A   4  .  ?        ?  
 21   2  1  A   7  ARG  A   5  .  ?        ?  
 22   2  1  A   8  TRP  A   6  .  ?        1  
 23   2  1  A   9  TRP  A   7  .  ?        ?  
 24   2  1  A  10  ARG  A   8  .  ?        ?  
 25   2  1  A  11  ARG  A   9  .  ?        ?  
 26   2  1  A  12  TRP  A  10  .  ?        ?  
 27   2  1  A  13  TRP  A  11  .  ?        2  
 28   2  1  A  14  ARG  A  12  .  ?        ?  
 29   2  1  A  15  ARG  A  13  .  ?        ?  
 30   2  1  A  16  TRP  A  14  .  ?        ?  
 31   2  1  A  17  ARG  A  15  .  ?        2  
 32   2  1  A  18  ARG  A  16  .  ?        ?  
 33   3  1  A   3  ARG  A   1  .  ?        ?  
 34   3  1  A   4  ARG  A   2  .  ?        1  
 35   3  1  A   5  TRP  A   3  .  ?        2  
 36   3  1  A   6  ARG  A   4  .  ?        ?  
 37   3  1  A   7  ARG  A   5  .  ?        ?  
 38   3  1  A   8  TRP  A   6  .  ?        1  
 39   3  1  A   9  TRP  A   7  .  ?        ?  
 40   3  1  A  10  ARG  A   8  .  ?        2  
 41   3  1  A  11  ARG  A   9  .  ?        ?  
 42   3  1  A  12  TRP  A  10  .  ?        ?  
 43   3  1  A  13  TRP  A  11  .  ?        2  
 44   3  1  A  14  ARG  A  12  .  ?        ?  
 45   3  1  A  15  ARG  A  13  .  ?        ?  
 46   3  1  A  16  TRP  A  14  .  ?        ?  
 47   3  1  A  17  ARG  A  15  .  ?        2  
 48   3  1  A  18  ARG  A  16  .  ?        ?  
 49   4  1  A   3  ARG  A   1  .  ?        ?  
 50   4  1  A   4  ARG  A   2  .  ?        ?  
 51   4  1  A   5  TRP  A   3  .  ?        1  
 52   4  1  A   6  ARG  A   4  .  ?        1  
 53   4  1  A   7  ARG  A   5  .  ?        ?  
 54   4  1  A   8  TRP  A   6  .  ?        1  
 55   4  1  A   9  TRP  A   7  .  ?        1  
 56   4  1  A  10  ARG  A   8  .  ?        ?  
 57   4  1  A  11  ARG  A   9  .  ?        ?  
 58   4  1  A  12  TRP  A  10  .  ?        ?  
 59   4  1  A  13  TRP  A  11  .  ?        ?  
 60   4  1  A  14  ARG  A  12  .  ?        1  
 61   4  1  A  15  ARG  A  13  .  ?        ?  
 62   4  1  A  16  TRP  A  14  .  ?        ?  
 63   4  1  A  17  ARG  A  15  .  ?        ?  
 64   4  1  A  18  ARG  A  16  .  ?        1  
 65   5  1  A   3  ARG  A   1  .  ?        ?  
 66   5  1  A   4  ARG  A   2  .  ?        1  
 67   5  1  A   5  TRP  A   3  .  ?        1  
 68   5  1  A   6  ARG  A   4  .  ?        1  
 69   5  1  A   7  ARG  A   5  .  ?        ?  
 70   5  1  A   8  TRP  A   6  .  ?        ?  
 71   5  1  A   9  TRP  A   7  .  ?        ?  
 72   5  1  A  10  ARG  A   8  .  ?        1  
 73   5  1  A  11  ARG  A   9  .  ?        ?  
 74   5  1  A  12  TRP  A  10  .  ?        ?  
 75   5  1  A  13  TRP  A  11  .  ?        ?  
 76   5  1  A  14  ARG  A  12  .  ?        ?  
 77   5  1  A  15  ARG  A  13  .  ?        ?  
 78   5  1  A  16  TRP  A  14  .  ?        ?  
 79   5  1  A  17  ARG  A  15  .  ?        ?  
 80   5  1  A  18  ARG  A  16  .  ?        ?  
 81   6  1  A   3  ARG  A   1  .  ?        ?  
 82   6  1  A   4  ARG  A   2  .  ?        1  
 83   6  1  A   5  TRP  A   3  .  ?        2  
 84   6  1  A   6  ARG  A   4  .  ?        ?  
 85   6  1  A   7  ARG  A   5  .  ?        ?  
 86   6  1  A   8  TRP  A   6  .  ?        1  
 87   6  1  A   9  TRP  A   7  .  ?        ?  
 88   6  1  A  10  ARG  A   8  .  ?        ?  
 89   6  1  A  11  ARG  A   9  .  ?        ?  
 90   6  1  A  12  TRP  A  10  .  ?        ?  
 91   6  1  A  13  TRP  A  11  .  ?        ?  
 92   6  1  A  14  ARG  A  12  .  ?        ?  
 93   6  1  A  15  ARG  A  13  .  ?        ?  
 94   6  1  A  16  TRP  A  14  .  ?        ?  
 95   6  1  A  17  ARG  A  15  .  ?        ?  
 96   6  1  A  18  ARG  A  16  .  ?        ?  
 97   7  1  A   3  ARG  A   1  .  ?        ?  
 98   7  1  A   4  ARG  A   2  .  ?        ?  
 99   7  1  A   5  TRP  A   3  .  ?        1  
100   7  1  A   6  ARG  A   4  .  ?        ?  
101   7  1  A   7  ARG  A   5  .  ?        ?  
102   7  1  A   8  TRP  A   6  .  ?        1  
103   7  1  A   9  TRP  A   7  .  ?        ?  
104   7  1  A  10  ARG  A   8  .  ?        ?  
105   7  1  A  11  ARG  A   9  .  ?        ?  
106   7  1  A  12  TRP  A  10  .  ?        ?  
107   7  1  A  13  TRP  A  11  .  ?        ?  
108   7  1  A  14  ARG  A  12  .  ?        ?  
109   7  1  A  15  ARG  A  13  .  ?        ?  
110   7  1  A  16  TRP  A  14  .  ?        ?  
111   7  1  A  17  ARG  A  15  .  ?        ?  
112   7  1  A  18  ARG  A  16  .  ?        4  
113   8  1  A   3  ARG  A   1  .  ?        ?  
114   8  1  A   4  ARG  A   2  .  ?        1  
115   8  1  A   5  TRP  A   3  .  ?        2  
116   8  1  A   6  ARG  A   4  .  ?        1  
117   8  1  A   7  ARG  A   5  .  ?        ?  
118   8  1  A   8  TRP  A   6  .  ?        1  
119   8  1  A   9  TRP  A   7  .  ?        1  
120   8  1  A  10  ARG  A   8  .  ?        ?  
121   8  1  A  11  ARG  A   9  .  ?        ?  
122   8  1  A  12  TRP  A  10  .  ?        ?  
123   8  1  A  13  TRP  A  11  .  ?        ?  
124   8  1  A  14  ARG  A  12  .  ?        ?  
125   8  1  A  15  ARG  A  13  .  ?        ?  
126   8  1  A  16  TRP  A  14  .  ?        ?  
127   8  1  A  17  ARG  A  15  .  ?        ?  
128   8  1  A  18  ARG  A  16  .  ?        ?  
129   9  1  A   3  ARG  A   1  .  ?        ?  
130   9  1  A   4  ARG  A   2  .  ?        1  
131   9  1  A   5  TRP  A   3  .  ?        1  
132   9  1  A   6  ARG  A   4  .  ?        ?  
133   9  1  A   7  ARG  A   5  .  ?        ?  
134   9  1  A   8  TRP  A   6  .  ?        ?  
135   9  1  A   9  TRP  A   7  .  ?        ?  
136   9  1  A  10  ARG  A   8  .  ?        ?  
137   9  1  A  11  ARG  A   9  .  ?        ?  
138   9  1  A  12  TRP  A  10  .  ?        ?  
139   9  1  A  13  TRP  A  11  .  ?        ?  
140   9  1  A  14  ARG  A  12  .  ?        ?  
141   9  1  A  15  ARG  A  13  .  ?        ?  
142   9  1  A  16  TRP  A  14  .  ?        ?  
143   9  1  A  17  ARG  A  15  .  ?        ?  
144   9  1  A  18  ARG  A  16  .  ?        ?  
145  10  1  A   3  ARG  A   1  .  ?        ?  
146  10  1  A   4  ARG  A   2  .  ?        ?  
147  10  1  A   5  TRP  A   3  .  ?        1  
148  10  1  A   6  ARG  A   4  .  ?        ?  
149  10  1  A   7  ARG  A   5  .  ?        ?  
150  10  1  A   8  TRP  A   6  .  ?        1  
151  10  1  A   9  TRP  A   7  .  ?        ?  
152  10  1  A  10  ARG  A   8  .  ?        ?  
153  10  1  A  11  ARG  A   9  .  ?        ?  
154  10  1  A  12  TRP  A  10  .  ?        ?  
155  10  1  A  13  TRP  A  11  .  ?        1  
156  10  1  A  14  ARG  A  12  .  ?        ?  
157  10  1  A  15  ARG  A  13  .  ?        ?  
158  10  1  A  16  TRP  A  14  .  ?        1  
159  10  1  A  17  ARG  A  15  .  ?        2  
160  10  1  A  18  ARG  A  16  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.cyrange_domain_id
_pdbx_vrpt_model_instance_geometry.validate
  1    1  mmt180       ?      ?  ?        15  11  0.17  14  0.40  molprobity     ?  False  
  2    2  OUTLIER  -59.0  -34.0  Favored  13  11  0.29  14  0.57  molprobity     ?  False  
  3    3  p-90     -72.8  -31.1  Favored  10  16  0.14  23  0.21  molprobity     ?  False  
  4    4  mmm-85   -62.2  -29.0  Favored  13  11  0.33  14  0.35  molprobity     ?  False  
  5    5  ttt180   -57.2  -50.2  Favored  13  11  0.34  14  0.30  molprobity     1  True   
  6    6  m0       -73.4  -32.6  Favored  10  16  0.19  23  0.32  molprobity     1  True   
  7    7  t-105    -51.9  -54.0  Favored  10  16  0.20  23  0.33  molprobity     1  True   
  8    8  ptt85    -70.4  -30.5  Favored  13  11  0.25  14  0.52  molprobity     1  True   
  9    9  mtt180   -57.7  -53.9  Favored  13  11  0.24  14  0.50  molprobity     1  True   
 10   10  t-105    -56.4  -47.2  Favored  10  16  0.25  23  0.29  molprobity     1  True   
 11   11  OUTLIER  -57.4  -56.6  Favored  10  16  0.22  23  0.29  molprobity     1  True   
 12   12  tpp180   -62.6  -31.7  Favored  13  11  0.24  14  0.32  molprobity     1  True   
 13   13  mmm180   -73.3  -63.3  Allowed  13  11  0.31  14  0.29  molprobity     1  True   
 14   14  t90      -75.4  -56.5  Favored  10  16  0.19  23  0.24  molprobity     1  True   
 15   15  mpt_?    -72.6  -65.5  Allowed  13  11  0.24  14  0.48  molprobity     1  True   
 16   16  tpt85        ?      ?  ?        13  11  0.53  11  0.86  molprobity     ?  False  
 17   17  mtt180       ?      ?  ?        15  11  0.20  14  0.35  molprobity     ?  False  
 18   18  ppt_?    -66.6  -29.1  Favored  13  11  0.21  14  0.56  molprobity     ?  False  
 19   19  p-90     -60.9  -29.2  Favored  10  16  0.16  23  0.23  molprobity     ?  False  
 20   20  mmm180   -57.3  -28.9  Favored  13  11  0.35  14  0.34  molprobity     ?  False  
 21   21  ttm180   -54.6  -53.3  Favored  13  11  0.39  14  0.60  molprobity     1  True   
 22   22  m0       -73.2  -31.3  Favored  10  16  0.17  23  0.32  molprobity     1  True   
 23   23  t-105    -51.0  -48.0  Favored  10  16  0.17  23  0.39  molprobity     1  True   
 24   24  mtm180   -63.1  -36.0  Favored  13  11  0.28  14  0.52  molprobity     1  True   
 25   25  ttt180   -66.1  -37.1  Favored  13  11  0.30  14  0.47  molprobity     1  True   
 26   26  OUTLIER  -71.9  -41.3  Favored  10  16  0.20  23  0.33  molprobity     1  True   
 27   27  OUTLIER  -60.0  -61.4  Favored  10  16  0.24  23  0.22  molprobity     1  True   
 28   28  mmt180   -65.5  -33.5  Favored  13  11  0.36  14  0.32  molprobity     1  True   
 29   29  mtp180   -73.5  -60.3  Favored  13  11  0.23  14  0.41  molprobity     1  True   
 30   30  t90      -74.7  -64.8  Allowed  10  16  0.18  23  0.24  molprobity     1  True   
 31   31  OUTLIER  -76.5  -37.6  Favored  13  11  0.34  14  0.60  molprobity     1  True   
 32   32  mtt180       ?      ?  ?        13  11  0.53  11  0.28  molprobity     ?  False  
 33   33  mtm180       ?      ?  ?        15  11  0.30  14  0.30  molprobity     ?  False  
 34   34  ppt_?    -73.1  -32.0  Favored  13  11  0.33  14  0.53  molprobity     ?  False  
 35   35  p-90     -72.5  -30.9  Favored  10  16  0.15  23  0.20  molprobity     ?  False  
 36   36  mmm180   -61.2  -28.4  Favored  13  11  0.35  14  0.36  molprobity     ?  False  
 37   37  ttm180   -58.1  -53.5  Favored  13  11  0.22  14  0.39  molprobity     1  True   
 38   38  m0       -67.9  -33.5  Favored  10  16  0.18  23  0.34  molprobity     1  True   
 39   39  t-105    -55.3  -45.5  Favored  10  16  0.22  23  0.35  molprobity     1  True   
 40   40  mmp_?    -63.9  -41.3  Favored  13  11  0.30  14  0.44  molprobity     1  True   
 41   41  tpm_?    -61.1  -47.4  Favored  13  11  0.32  14  0.41  molprobity     1  True   
 42   42  OUTLIER  -64.2  -43.2  Favored  10  16  0.23  23  0.37  molprobity     1  True   
 43   43  OUTLIER  -55.7  -63.3  Allowed  10  16  0.28  23  0.21  molprobity     1  True   
 44   44  mmt180   -65.4  -27.9  Favored  13  11  0.23  14  0.47  molprobity     1  True   
 45   45  mtp180   -72.5  -63.1  Allowed  13  11  0.29  14  0.58  molprobity     1  True   
 46   46  t90      -75.3  -65.1  Allowed  10  16  0.24  23  0.22  molprobity     1  True   
 47   47  OUTLIER  -76.5  -32.7  Favored  13  11  0.38  14  0.65  molprobity     1  True   
 48   48  OUTLIER      ?      ?  ?        13  11  0.47  11  0.71  molprobity     ?  False  
 49   49  ptt180       ?      ?  ?        15  11  0.28  14  0.51  molprobity     ?  False  
 50   50  mtt-85   -60.6  -48.5  Favored  13  11  0.34  14  0.57  molprobity     ?  False  
 51   51  p-90     -65.2  -30.1  Favored  10  16  0.19  23  0.18  molprobity     ?  False  
 52   52  mmm180   -62.5  -29.3  Favored  13  11  0.33  14  0.20  molprobity     ?  False  
 53   53  ttm180   -56.8  -50.0  Favored  13  11  0.23  14  0.36  molprobity     1  True   
 54   54  m0       -72.8  -37.3  Favored  10  16  0.18  23  0.41  molprobity     1  True   
 55   55  t-105    -52.4  -52.1  Favored  10  16  0.20  23  0.38  molprobity     1  True   
 56   56  ptm180   -66.2  -38.1  Favored  13  11  0.16  14  0.39  molprobity     1  True   
 57   57  mtm180   -67.1  -45.7  Favored  13  11  0.26  14  0.56  molprobity     1  True   
 58   58  OUTLIER  -55.9  -44.9  Favored  10  16  0.23  23  0.28  molprobity     1  True   
 59   59  OUTLIER  -57.2  -61.9  Favored  10  16  0.21  23  0.24  molprobity     1  True   
 60   60  tpp180   -67.6  -30.4  Favored  13  11  0.32  14  0.35  molprobity     1  True   
 61   61  mtt180   -72.2  -57.0  Favored  13  11  0.31  14  0.44  molprobity     1  True   
 62   62  t90      -74.2  -60.8  Favored  10  16  0.19  23  0.31  molprobity     1  True   
 63   63  mpt_?    -73.6  -30.2  Favored  13  11  0.31  14  0.50  molprobity     1  True   
 64   64  ptm180       ?      ?  ?        13  11  0.50  11  0.64  molprobity     ?  False  
 65   65  mtt-85       ?      ?  ?        15  11  0.24  14  0.52  molprobity     ?  False  
 66   66  ppt_?    -68.4  -31.7  Favored  13  11  0.41  14  0.49  molprobity     ?  False  
 67   67  p-90     -73.5  -31.3  Favored  10  16  0.12  23  0.17  molprobity     ?  False  
 68   68  mmt180   -59.3  -29.1  Favored  13  11  0.25  14  0.36  molprobity     ?  False  
 69   69  mtt180   -53.2  -59.3  Favored  13  11  0.34  14  0.48  molprobity     1  True   
 70   70  OUTLIER  -72.6  -31.7  Favored  10  16  0.17  23  0.40  molprobity     1  True   
 71   71  t-105    -51.1  -50.2  Favored  10  16  0.22  23  0.44  molprobity     1  True   
 72   72  mtm180   -65.4  -36.9  Favored  13  11  0.23  14  0.52  molprobity     1  True   
 73   73  mtt180   -72.8  -33.6  Favored  13  11  0.26  14  0.68  molprobity     1  True   
 74   74  OUTLIER  -62.0  -40.6  Favored  10  16  0.28  23  0.36  molprobity     1  True   
 75   75  OUTLIER  -60.2  -58.5  Favored  10  16  0.23  23  0.23  molprobity     1  True   
 76   76  tpp180   -65.6  -32.0  Favored  13  11  0.28  14  0.20  molprobity     1  True   
 77   77  mtt180   -72.9  -61.5  Allowed  13  11  0.27  14  0.44  molprobity     1  True   
 78   78  t90      -73.4  -56.8  Favored  10  16  0.22  23  0.20  molprobity     1  True   
 79   79  mpt_?    -73.0  -57.3  Favored  13  11  0.27  14  0.55  molprobity     1  True   
 80   80  ttt180       ?      ?  ?        13  11  0.43  11  0.80  molprobity     ?  False  
 81   81  mtm180       ?      ?  ?        15  11  0.30  14  0.44  molprobity     ?  False  
 82   82  OUTLIER  -60.3  -29.3  Favored  13  11  0.30  14  0.53  molprobity     ?  False  
 83   83  p-90     -70.4  -31.4  Favored  10  16  0.13  23  0.16  molprobity     ?  False  
 84   84  mmm180   -58.5  -28.4  Favored  13  11  0.38  14  0.28  molprobity     ?  False  
 85   85  ttm180   -56.4  -57.6  Favored  13  11  0.29  14  0.29  molprobity     1  True   
 86   86  m-90     -72.9  -31.9  Favored  10  16  0.21  23  0.38  molprobity     1  True   
 87   87  t-105    -49.8  -53.7  Favored  10  16  0.24  23  0.42  molprobity     1  True   
 88   88  ptp180   -67.5  -31.1  Favored  13  11  0.22  14  0.17  molprobity     1  True   
 89   89  mtp180   -68.5  -41.5  Favored  13  11  0.33  14  0.59  molprobity     1  True   
 90   90  t-105    -61.7  -46.5  Favored  10  16  0.18  23  0.32  molprobity     1  True   
 91   91  OUTLIER  -53.6  -61.6  Favored  10  16  0.24  23  0.25  molprobity     1  True   
 92   92  tpp180   -63.8  -29.4  Favored  13  11  0.43  14  0.47  molprobity     1  True   
 93   93  tpt180   -72.2  -62.5  Allowed  13  11  0.37  14  0.43  molprobity     1  True   
 94   94  t90      -74.6  -56.2  Favored  10  16  0.24  23  0.25  molprobity     1  True   
 95   95  mpt_?    -73.8  -40.2  Favored  13  11  0.34  14  0.59  molprobity     1  True   
 96   96  ttt180       ?      ?  ?        13  11  0.43  11  0.76  molprobity     ?  False  
 97   97  mtm180       ?      ?  ?        15  11  0.17  14  0.58  molprobity     ?  False  
 98   98  mtm180   -59.0  -30.7  Favored  13  11  0.37  14  0.44  molprobity     ?  False  
 99   99  p-90     -68.2  -33.8  Favored  10  16  0.17  23  0.22  molprobity     ?  False  
100  100  tpp180   -68.2  -30.1  Favored  13  11  0.25  14  0.66  molprobity     ?  False  
101  101  ttp180   -57.3  -50.1  Favored  13  11  0.25  14  0.45  molprobity     1  True   
102  102  m0       -65.1  -41.4  Favored  10  16  0.23  23  0.34  molprobity     1  True   
103  103  t-105    -48.5  -48.6  Favored  10  16  0.22  23  0.34  molprobity     1  True   
104  104  mtp180   -64.6  -48.6  Favored  13  11  0.28  14  0.31  molprobity     1  True   
105  105  tpt180   -60.6  -41.2  Favored  13  11  0.28  14  0.29  molprobity     1  True   
106  106  t-105    -61.8  -45.4  Favored  10  16  0.23  23  0.36  molprobity     1  True   
107  107  OUTLIER  -60.5  -57.6  Favored  10  16  0.17  23  0.22  molprobity     1  True   
108  108  tpt180   -62.6  -39.6  Favored  13  11  0.32  14  0.34  molprobity     1  True   
109  109  ttt180   -70.6  -59.5  Favored  13  11  0.37  14  0.59  molprobity     1  True   
110  110  t90      -74.5  -54.2  Favored  10  16  0.26  23  0.25  molprobity     1  True   
111  111  mpt_?    -74.0  -31.8  Favored  13  11  0.26  14  0.36  molprobity     1  True   
112  112  mmp_?        ?      ?  ?        13  11  0.48  11  0.60  molprobity     ?  False  
113  113  mtt180       ?      ?  ?        15  11  0.20  14  0.58  molprobity     ?  False  
114  114  ppt_?    -58.8  -29.5  Favored  13  11  0.33  14  0.45  molprobity     ?  False  
115  115  p-90     -72.7  -30.2  Favored  10  16  0.20  23  0.17  molprobity     ?  False  
116  116  mmm180   -62.5  -28.8  Favored  13  11  0.35  14  0.45  molprobity     ?  False  
117  117  ttt180   -53.8  -53.9  Favored  13  11  0.20  14  0.66  molprobity     1  True   
118  118  m0       -73.0  -30.6  Favored  10  16  0.24  23  0.26  molprobity     1  True   
119  119  t-105    -48.3  -40.2  Favored  10  16  0.19  23  0.31  molprobity     1  True   
120  120  mtt180   -64.1  -35.1  Favored  13  11  0.26  14  0.42  molprobity     1  True   
121  121  ttt180   -69.4  -47.7  Favored  13  11  0.21  14  0.46  molprobity     1  True   
122  122  t-105    -55.7  -46.2  Favored  10  16  0.17  23  0.32  molprobity     1  True   
123  123  OUTLIER  -58.3  -54.8  Favored  10  16  0.17  23  0.26  molprobity     1  True   
124  124  ptp180   -66.6  -33.2  Favored  13  11  0.20  14  0.44  molprobity     1  True   
125  125  mmm180   -73.9  -63.6  Allowed  13  11  0.30  14  0.30  molprobity     1  True   
126  126  t90      -74.7  -50.3  Favored  10  16  0.18  23  0.31  molprobity     1  True   
127  127  mpt_?    -72.5  -31.6  Favored  13  11  0.26  14  0.49  molprobity     1  True   
128  128  mtp180       ?      ?  ?        13  11  0.42  11  0.34  molprobity     ?  False  
129  129  ptt180       ?      ?  ?        15  11  0.21  14  0.71  molprobity     ?  False  
130  130  ppt_?    -54.0  -29.9  Favored  13  11  0.38  14  0.64  molprobity     ?  False  
131  131  p-90     -67.4  -30.5  Favored  10  16  0.19  23  0.17  molprobity     ?  False  
132  132  mmt180   -57.9  -30.1  Favored  13  11  0.32  14  0.37  molprobity     ?  False  
133  133  mtt180   -57.7  -57.5  Favored  13  11  0.26  14  0.42  molprobity     1  True   
134  134  m0       -72.0  -32.4  Favored  10  16  0.19  23  0.46  molprobity     1  True   
135  135  t-105    -49.5  -55.0  Favored  10  16  0.19  23  0.44  molprobity     1  True   
136  136  ptp180   -72.6  -31.9  Favored  13  11  0.37  14  0.31  molprobity     1  True   
137  137  mtp180   -62.6  -52.6  Favored  13  11  0.41  14  0.34  molprobity     1  True   
138  138  t-105    -60.8  -41.9  Favored  10  16  0.19  23  0.33  molprobity     1  True   
139  139  OUTLIER  -61.8  -55.0  Favored  10  16  0.21  23  0.24  molprobity     1  True   
140  140  mmt180   -72.2  -31.7  Favored  13  11  0.33  14  0.51  molprobity     1  True   
141  141  mmm180   -73.2  -59.9  Favored  13  11  0.34  14  0.49  molprobity     1  True   
142  142  t90      -75.5  -56.5  Favored  10  16  0.16  23  0.24  molprobity     1  True   
143  143  mpt_?    -68.9  -45.1  Favored  13  11  0.37  14  0.35  molprobity     1  True   
144  144  mmm180       ?      ?  ?        13  11  0.43  11  0.29  molprobity     ?  False  
145  145  mmt85        ?      ?  ?        15  11  0.24  14  0.29  molprobity     ?  False  
146  146  mmp_?    -65.6  -35.9  Favored  13  11  0.32  14  0.63  molprobity     ?  False  
147  147  p-90     -71.7  -31.4  Favored  10  16  0.15  23  0.21  molprobity     ?  False  
148  148  tpp180   -63.0  -28.0  Favored  13  11  0.28  14  0.39  molprobity     ?  False  
149  149  ttp180   -58.7  -42.0  Favored  13  11  0.18  14  0.27  molprobity     1  True   
150  150  m0       -72.5  -36.8  Favored  10  16  0.21  23  0.41  molprobity     1  True   
151  151  t-105    -52.4  -53.4  Favored  10  16  0.23  23  0.36  molprobity     1  True   
152  152  ptp180   -66.7  -31.0  Favored  13  11  0.29  14  0.22  molprobity     1  True   
153  153  ttt180   -67.9  -48.1  Favored  13  11  0.21  14  0.51  molprobity     1  True   
154  154  t-105    -55.2  -44.4  Favored  10  16  0.25  23  0.46  molprobity     1  True   
155  155  OUTLIER  -59.5  -62.8  Allowed  10  16  0.27  23  0.50  molprobity     1  True   
156  156  mmt180   -63.8  -35.2  Favored  13  11  0.25  14  0.47  molprobity     1  True   
157  157  mtp85    -74.7  -63.5  Allowed  13  11  0.33  14  0.32  molprobity     1  True   
158  158  t90      -75.4  -54.1  Favored  10  16  0.29  23  0.27  molprobity     1  True   
159  159  OUTLIER  -63.0  -53.3  Favored  13  11  0.37  14  0.53  molprobity     1  True   
160  160  OUTLIER      ?      ?  ?        13  11  0.46  11  0.49  molprobity     ?  False  
#
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  HA    1  0.58  2.34  
 2    6  CE3   1  0.58  2.34  
 3   12  HD3   2  0.53  2.04  
 4   15  O     3  0.54  2.03  
 5   16  HB2   3  0.54  2.03  
 6   16  O     2  0.53  2.04  
 7   18  HD2   4  0.41  2.30  
 8   19  HA    5  0.45  2.47  
 9   19  N     4  0.41  2.30  
10   22  CE3   5  0.45  2.47  
11   27  HA    6  0.49  1.83  
12   27  O     7  0.47  2.08  
13   31  HD3   6  0.49  1.83  
14   31  HG2   7  0.47  2.08  
15   34  HD2   8  0.48  2.23  
16   35  HA    9  0.63  2.28  
17   35  N     8  0.48  2.23  
18   38  CE3   9  0.63  2.28  
19   40  HA   10  0.41  1.75  
20   40  HE   10  0.41  1.75  
21   43  HA   11  0.55  1.78  
22   43  O    12  0.43  2.14  
23   47  HD3  11  0.55  1.78  
24   47  HG2  12  0.43  2.14  
25   51  HA   13  0.55  2.36  
26   52  HA   14  0.53  1.80  
27   54  CE3  13  0.55  2.36  
28   55  HB3  14  0.53  1.80  
29   60  O    15  0.41  2.16  
30   64  HA   15  0.41  2.16  
31   66  HD2  16  0.59  2.12  
32   67  N    16  0.59  2.12  
33   68  O    17  0.50  2.06  
34   72  HG3  17  0.50  2.06  
35   82  HD2  18  0.55  2.17  
36   83  N    18  0.55  2.17  
37   83  HA   19  0.43  2.49  
38   86  CE3  19  0.43  2.49  
39   99  HA   20  0.55  2.35  
40  102  CE3  20  0.55  2.35  
41  112  HA   21  0.57  2.14  
42  112  HA   22  0.56  1.60  
43  112  NE   21  0.57  2.14  
44  112  HE   22  0.56  1.60  
45  114  HD2  23  0.44  2.28  
46  115  HA   24  0.55  2.37  
47  115  N    23  0.44  2.28  
48  116  O    25  0.41  2.16  
49  118  CE3  24  0.55  2.37  
50  119  HB3  25  0.41  2.16  
51  130  HD2  26  0.53  2.19  
52  131  N    26  0.53  2.19  
53  147  HA   27  0.43  2.48  
54  150  CE3  27  0.43  2.48  
55  155  O    28  0.45  2.10  
56  158  HE3  29  0.40  1.76  
57  159  HB2  28  0.45  2.10  
58  159  HD2  29  0.40  1.76  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1        ?     
 2  outlier  ?     
 3  outlier  ?     
 4  2        ?     
 5  1        ?     
 6  1        True  
 7  2        True  
 8  outlier  ?     
 9  3        ?     
10  3        True  
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  11
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.180
_pdbx_vrpt_cyrange_domain.medoid_model        1
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.244
_pdbx_vrpt_cyrange_domain.residue_string      A:5-A:15
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           4
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        starch_output
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    0
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           178
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           178
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            178
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_random_coil_index.ordinal
_pdbx_vrpt_random_coil_index.auth_asym_id
_pdbx_vrpt_random_coil_index.rescode
_pdbx_vrpt_random_coil_index.auth_seq_id
_pdbx_vrpt_random_coil_index.value
 1  A  ARG   1  0.068  
 2  A  ARG   2  0.068  
 3  A  TRP   3  0.063  
 4  A  ARG   4  0.057  
 5  A  ARG   5  0.052  
 6  A  TRP   6  0.049  
 7  A  TRP   7  0.054  
 8  A  ARG   8  0.051  
 9  A  ARG   9  0.045  
10  A  TRP  10  0.033  
11  A  TRP  11  0.031  
12  A  ARG  12  0.034  
13  A  ARG  13  0.042  
14  A  TRP  14  0.048  
15  A  ARG  15  0.051  
16  A  ARG  16  0.051  
#
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  127  111  238  overall    Total  
 2   22   33   55  backbone   Total  
 3   50   73  123  sidechain  Total  
 4   55    5   60  aromatic   Total  
 5  100   28  128  overall    H      
 6   22    0   22  backbone   H      
 7   48   28   76  sidechain  H      
 8   30    0   30  aromatic   H      
 9   27   49   76  overall    C      
10    0   22   22  backbone   C      
11    2   27   29  sidechain  C      
12   25    0   25  aromatic   C      
13    0   34   34  overall    N      
14    0   11   11  backbone   N      
15    0   18   18  sidechain  N      
16    0    5    5  aromatic   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  178  172  350  overall    Total  
 2   32   48   80  backbone   Total  
 3   80  118  198  sidechain  Total  
 4   66    6   72  aromatic   Total  
 5  146   44  190  overall    H      
 6   32    0   32  backbone   H      
 7   78   44  122  sidechain  H      
 8   36    0   36  aromatic   H      
 9   32   76  108  overall    C      
10    0   32   32  backbone   C      
11    2   44   46  sidechain  C      
12   30    0   30  aromatic   C      
13    0   52   52  overall    N      
14    0   16   16  backbone   N      
15    0   30   30  sidechain  N      
16    0    6    6  aromatic   N      
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     377  
 2  "Intra-residue (|i-j|=0)"                       220  
 3  "Sequential (|i-j|=1)"                           89  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             57  
 5  "Long range (|i-j|>=5)"                          11  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                  0  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                 0  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             20.9  
12  "Number of long range restraints per residue"   0.6  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                 220   58.4  0  0.0  0.0   9  2.4    4.1  
 2  Intra-residue  BackboneBackbone     13    3.4  0  0.0  0.0   0  0.0    0.0  
 3  Intra-residue  BackboneSidechain   111   29.4  0  0.0  0.0   9  2.4    8.1  
 4  Intra-residue  SidechainSidechain   96   25.5  0  0.0  0.0   0  0.0    0.0  
 5  Sequential     all                  89   23.6  0  0.0  0.0   8  2.1    9.0  
 6  Sequential     BackboneBackbone     23    6.1  0  0.0  0.0   0  0.0    0.0  
 7  Sequential     BackboneSidechain    36    9.5  0  0.0  0.0   1  0.3    2.8  
 8  Sequential     SidechainSidechain   30    8.0  0  0.0  0.0   7  1.9   23.3  
 9  MediumRange    all                  57   15.1  3  0.8  5.3   9  2.4   15.8  
10  MediumRange    BackboneBackbone     14    3.7  1  0.3  7.1   1  0.3    7.1  
11  MediumRange    BackboneSidechain    22    5.8  2  0.5  9.1   4  1.1   18.2  
12  MediumRange    SidechainSidechain   21    5.6  0  0.0  0.0   4  1.1   19.0  
13  LongRange      all                  11    2.9  0  0.0  0.0   3  0.8   27.3  
14  LongRange      BackboneBackbone      1    0.3  0  0.0  0.0   0  0.0    0.0  
15  LongRange      BackboneSidechain     1    0.3  0  0.0  0.0   1  0.3  100.0  
16  LongRange      SidechainSidechain    9    2.4  0  0.0  0.0   2  0.5   22.2  
17  InterChain     all                   0    0.0  0  0.0  0.0   0  0.0    0.0  
18  InterChain     BackboneBackbone      0    0.0  0  0.0  0.0   0  0.0    0.0  
19  InterChain     BackboneSidechain     0    0.0  0  0.0  0.0   0  0.0    0.0  
20  InterChain     SidechainSidechain    0    0.0  0  0.0  0.0   0  0.0    0.0  
21  HydrogenBond   all                   0    0.0  0  0.0  0.0   0  0.0    0.0  
22  DisulfideBond  all                   0    0.0  0  0.0  0.0   0  0.0    0.0  
23  Total          all                 377  100.0  3  0.8  0.8  29  7.7    7.7  
24  Total          BackboneBackbone     51   13.5  1  0.3  2.0   1  0.3    2.0  
25  Total          BackboneSidechain   170   45.1  2  0.5  1.2  15  4.0    8.8  
26  Total          SidechainSidechain  156   41.4  0  0.0  0.0  13  3.4    8.3  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  3.63  0.89  0.48  1.07  
 2   2  3.74  1.29  0.60  1.25  
 3   3  4.06  0.88  0.42  1.18  
 4   4  3.67  1.14  0.36  1.29  
 5   5  3.36  1.02  0.48  1.15  
 6   6  3.54  0.92  0.47  1.05  
 7   7  3.91  1.54  1.23  1.42  
 8   8  3.56  1.06  0.50  1.18  
 9   9  3.73  1.09  0.50  1.23  
10  10  3.80  1.29  0.22  1.41  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
 1   1  intraresidue   4  
 2   1  sequential     1  
 3   1  medium         6  
 4   1  long           2  
 5   1  interchain     0  
 6   1  total         13  
 7   2  intraresidue   3  
 8   2  sequential     1  
 9   2  medium         5  
10   2  long           0  
11   2  interchain     0  
12   2  total          9  
13   3  intraresidue   4  
14   3  sequential     2  
15   3  medium         6  
16   3  long           1  
17   3  interchain     0  
18   3  total         13  
19   4  intraresidue   4  
20   4  sequential     2  
21   4  medium         4  
22   4  long           0  
23   4  interchain     0  
24   4  total         10  
25   5  intraresidue   4  
26   5  sequential     0  
27   5  medium         5  
28   5  long           1  
29   5  interchain     0  
30   5  total         10  
31   6  intraresidue   4  
32   6  sequential     2  
33   6  medium         6  
34   6  long           0  
35   6  interchain     0  
36   6  total         12  
37   7  intraresidue   2  
38   7  sequential     3  
39   7  medium         4  
40   7  long           0  
41   7  interchain     0  
42   7  total          9  
43   8  intraresidue   2  
44   8  sequential     3  
45   8  medium         5  
46   8  long           0  
47   8  interchain     0  
48   8  total         10  
49   9  intraresidue   2  
50   9  sequential     2  
51   9  medium         6  
52   9  long           0  
53   9  interchain     0  
54   9  total         10  
55  10  intraresidue   1  
56  10  sequential     4  
57  10  medium         6  
58  10  long           0  
59  10  interchain     0  
60  10  total         11  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1   10.0  
 2   2   20.0  
 3   3   30.0  
 4   4   40.0  
 5   5   50.0  
 6   6   60.0  
 7   7   70.0  
 8   8   80.0  
 9   9   90.0  
10  10  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
 1   1  intraresidue  3  
 2   1  sequential    2  
 3   1  medium        2  
 4   1  long          2  
 5   1  interchain    0  
 6   1  total         9  
 7   2  intraresidue  3  
 8   2  sequential    2  
 9   2  medium        1  
10   2  long          1  
11   2  interchain    0  
12   2  total         7  
13   3  intraresidue  0  
14   3  sequential    3  
15   3  medium        1  
16   3  long          0  
17   3  interchain    0  
18   3  total         4  
19   4  intraresidue  0  
20   4  sequential    0  
21   4  medium        0  
22   4  long          0  
23   4  interchain    0  
24   4  total         0  
25   5  intraresidue  0  
26   5  sequential    1  
27   5  medium        0  
28   5  long          0  
29   5  interchain    0  
30   5  total         1  
31   6  intraresidue  1  
32   6  sequential    0  
33   6  medium        0  
34   6  long          0  
35   6  interchain    0  
36   6  total         1  
37   7  intraresidue  1  
38   7  sequential    0  
39   7  medium        1  
40   7  long          0  
41   7  interchain    0  
42   7  total         2  
43   8  intraresidue  1  
44   8  sequential    0  
45   8  medium        0  
46   8  long          0  
47   8  interchain    0  
48   8  total         1  
49   9  intraresidue  0  
50   9  sequential    0  
51   9  medium        1  
52   9  long          0  
53   9  interchain    0  
54   9  total         1  
55  10  intraresidue  0  
56  10  sequential    0  
57  10  medium        3  
58  10  long          0  
59  10  interchain    0  
60  10  total         3  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.2  3.6  
2  0.2-0.5  0.5  2.2  
3  >0.5     4.1  4.9  
#
loop_
_pdbx_vrpt_most_violated_distance_restraints.ordinal
_pdbx_vrpt_most_violated_distance_restraints.rest_id
_pdbx_vrpt_most_violated_distance_restraints.rlist_id
_pdbx_vrpt_most_violated_distance_restraints.altcode_1
_pdbx_vrpt_most_violated_distance_restraints.chain_1
_pdbx_vrpt_most_violated_distance_restraints.resnum_1
_pdbx_vrpt_most_violated_distance_restraints.resname_1
_pdbx_vrpt_most_violated_distance_restraints.icode_1
_pdbx_vrpt_most_violated_distance_restraints.ent_1
_pdbx_vrpt_most_violated_distance_restraints.said_1
_pdbx_vrpt_most_violated_distance_restraints.seq_1
_pdbx_vrpt_most_violated_distance_restraints.atom_1
_pdbx_vrpt_most_violated_distance_restraints.chain_2
_pdbx_vrpt_most_violated_distance_restraints.altcode_2
_pdbx_vrpt_most_violated_distance_restraints.resnum_2
_pdbx_vrpt_most_violated_distance_restraints.resname_2
_pdbx_vrpt_most_violated_distance_restraints.seq_2
_pdbx_vrpt_most_violated_distance_restraints.said_2
_pdbx_vrpt_most_violated_distance_restraints.ent_2
_pdbx_vrpt_most_violated_distance_restraints.icode_2
_pdbx_vrpt_most_violated_distance_restraints.atom_2
_pdbx_vrpt_most_violated_distance_restraints.violated_models
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation
_pdbx_vrpt_most_violated_distance_restraints.median_violation
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation
 1   22  1  .  A  13  ARG  ?     1  A  15  HG3  A  .  11  TRP  13  A  1  ?     HA   10  3.70  3.70  0.19  
 2   22  1  .  A  13  ARG  ?     1  A  15  HG2  A  .  11  TRP  13  A  1  ?     HA   10  3.70  3.70  0.19  
 3   47  1  .  A  13  ARG  ?     1  A  15  HB2  A  .  11  TRP  13  A  1  ?     HA   10  3.03  3.05  0.14  
 4   47  1  .  A  13  ARG  ?     1  A  15  HB3  A  .  11  TRP  13  A  1  ?     HA   10  3.03  3.05  0.14  
 5  124  1  .  A  11  TRP  ?     1  A  13  HA   A  .  13  ARG  15  A  1  ?     H    10  1.19  1.21  0.08  
 6   85  1  .  A   4  ARG  ?     1  A   6  HD3  A  .   7  TRP   9  A  1  ?     HZ2   9  0.15  0.14  0.03  
 7   85  1  .  A   4  ARG  ?     1  A   6  HD2  A  .   7  TRP   9  A  1  ?     HZ2   9  0.15  0.14  0.03  
 8   85  1  .  A   4  ARG  ?     1  A   6  HD3  A  .   7  TRP   9  A  1  ?     HH2   9  0.15  0.14  0.03  
 9   85  1  .  A   4  ARG  ?     1  A   6  HD2  A  .   7  TRP   9  A  1  ?     HH2   9  0.15  0.14  0.03  
10   49  1  .  A   4  ARG  ?     1  A   6  HB2  A  .   4  ARG   6  A  1  ?     HA    8  0.50  0.50  0.01  
11  248  1  .  A   2  ARG  ?     1  A   4  HB3  A  .   6  TRP   8  A  1  ?     HE1   7  1.09  1.07  0.24  
12  248  1  .  A   1  ARG  ?     1  A   3  HB2  A  .   6  TRP   8  A  1  ?     HE1   7  1.09  1.07  0.24  
13   29  1  .  A   2  ARG  ?     1  A   4  HB2  A  .   2  ARG   4  A  1  ?     H     7  0.46  0.46  0.02  
14  187  1  .  A  11  TRP  ?     1  A  13  HE3  A  .  11  TRP  13  A  1  ?     HA    6  0.15  0.16  0.02  
15  267  1  .  A   2  ARG  ?     1  A   4  HD3  A  .   3  TRP   5  A  1  ?     HE1   5  1.81  2.16  1.40  
16  267  1  .  A   2  ARG  ?     1  A   4  HD2  A  .   3  TRP   5  A  1  ?     HE1   5  1.81  2.16  1.40  
17  292  1  .  A  11  TRP  ?     1  A  13  HA   A  .  13  ARG  15  A  1  ?     HG3   3  0.66  0.59  0.16  
18  292  1  .  A  11  TRP  ?     1  A  13  HA   A  .  13  ARG  15  A  1  ?     HG2   3  0.66  0.59  0.16  
19  292  1  .  A   5  ARG  ?     1  A   7  HA   A  .   8  ARG  10  A  1  ?     HG3   3  0.66  0.59  0.16  
20  232  1  .  A   8  ARG  ?     1  A  10  HG2  A  .   7  TRP   9  A  1  ?     HD1   3  0.30  0.29  0.08  
21  232  1  .  A   8  ARG  ?     1  A  10  HG3  A  .   7  TRP   9  A  1  ?     HD1   3  0.30  0.29  0.08  
22  253  1  .  A   8  ARG  ?     1  A  10  HB3  A  .   7  TRP   9  A  1  ?     HD1   3  0.26  0.22  0.08  
23  253  1  .  A   4  ARG  ?     1  A   6  HB2  A  .   7  TRP   9  A  1  ?     HD1   3  0.26  0.22  0.08  
24  253  1  .  A  16  ARG  ?     1  A  18  HB2  A  .  11  TRP  13  A  1  ?     HH2   3  0.26  0.22  0.08  
25  253  1  .  A   4  ARG  ?     1  A   6  HB2  A  .   3  TRP   5  A  1  ?     HD1   3  0.26  0.22  0.08  
26  253  1  .  A  16  ARG  ?     1  A  18  HB3  A  .  11  TRP  13  A  1  ?     HH2   3  0.26  0.22  0.08  
27  253  1  .  A   5  ARG  ?     1  A   7  HB2  A  .   3  TRP   5  A  1  ?     HD1   3  0.26  0.22  0.08  
28  253  1  .  A   9  ARG  ?     1  A  11  HB2  A  .   7  TRP   9  A  1  ?     HD1   3  0.26  0.22  0.08  
29  256  1  .  A   4  ARG  ?     1  A   6  HB2  A  .   3  TRP   5  A  1  ?     HZ3   3  0.13  0.14  0.02  
30  256  1  .  A  13  ARG  ?     1  A  15  HB3  A  .  10  TRP  12  A  1  ?     HD1   3  0.13  0.14  0.02  
31  256  1  .  A   5  ARG  ?     1  A   7  HB2  A  .   6  TRP   8  A  1  ?     HZ3   3  0.13  0.14  0.02  
32  256  1  .  A   5  ARG  ?     1  A   7  HB3  A  .   6  TRP   8  A  1  ?     HZ3   3  0.13  0.14  0.02  
33  256  1  .  A   9  ARG  ?     1  A  11  HB2  A  .  10  TRP  12  A  1  ?     HD1   3  0.13  0.14  0.02  
34  256  1  .  A   8  ARG  ?     1  A  10  HB3  A  .  10  TRP  12  A  1  ?     HD1   3  0.13  0.14  0.02  
35  256  1  .  A  13  ARG  ?     1  A  15  HB2  A  .  10  TRP  12  A  1  ?     HD1   3  0.13  0.14  0.02  
36  256  1  .  A  12  ARG  ?     1  A  14  HB2  A  .  10  TRP  12  A  1  ?     HD1   3  0.13  0.14  0.02  
37  256  1  .  A   4  ARG  ?     1  A   6  HB2  A  .   6  TRP   8  A  1  ?     HZ3   3  0.13  0.14  0.02  
38  228  1  .  A   4  ARG  ?     1  A   6  HG2  A  .   3  TRP   5  A  1  ?     HE1   2  1.69  1.69  0.11  
39  228  1  .  A   4  ARG  ?     1  A   6  HG3  A  .   3  TRP   5  A  1  ?     HE1   2  1.69  1.69  0.11  
40  228  1  .  A   2  ARG  ?     1  A   4  HG2  A  .   3  TRP   5  A  1  ?     HE1   2  1.69  1.69  0.11  
41  189  1  .  A  11  TRP  ?     1  A  13  HE3  A  .  15  ARG  17  A  1  ?     HB3   2  0.56  0.56  0.03  
42  189  1  .  A  11  TRP  ?     1  A  13  HZ2  A  .  15  ARG  17  A  1  ?     HB3   2  0.56  0.56  0.03  
43   21  1  .  A  13  ARG  ?     1  A  15  HG2  A  .  13  ARG  15  A  1  ?     H     2  0.29  0.29  0.01  
44   21  1  .  A  13  ARG  ?     1  A  15  HG3  A  .  13  ARG  15  A  1  ?     H     2  0.29  0.29  0.01  
45   13  1  .  A   4  ARG  ?     1  A   6  HG2  A  .   4  ARG   6  A  1  ?     H     2  0.20  0.20  0.02  
46   13  1  .  A   4  ARG  ?     1  A   6  HG3  A  .   4  ARG   6  A  1  ?     H     2  0.20  0.20  0.02  
47   11  1  .  A   4  ARG  ?     1  A   6  HG2  A  .   3  TRP   5  A  1  ?     HH2   2  0.14  0.14  0.03  
48   11  1  .  A   4  ARG  ?     1  A   6  HG3  A  .   3  TRP   5  A  1  ?     HH2   2  0.14  0.14  0.03  
49  182  1  .  A  15  ARG  ?     1  A  17  HE   A  .  10  TRP  12  A  1  ?     HZ2   2  0.12  0.12  0.01  
50   48  1  .  A   9  ARG  ?     1  A  11  HB2  A  .   9  ARG  11  A  1  ?     HA    2  0.11  0.11  0.00  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
  1   22  1   45   43  HG3  HA   4.06  
  2   22  1   45   43  HG2  HA   4.06  
  3   22  1  109  107  HG3  HA   3.91  
  4   22  1  109  107  HG2  HA   3.91  
  5   22  1  157  155  HG3  HA   3.80  
  6   22  1  157  155  HG2  HA   3.80  
  7   22  1   29   27  HG3  HA   3.74  
  8   22  1   29   27  HG2  HA   3.74  
  9   22  1  141  139  HG3  HA   3.73  
 10   22  1  141  139  HG2  HA   3.73  
 11   22  1   61   59  HG3  HA   3.67  
 12   22  1   61   59  HG2  HA   3.67  
 13   22  1   13   11  HG3  HA   3.63  
 14   22  1   13   11  HG2  HA   3.63  
 15   22  1  125  123  HG3  HA   3.56  
 16   22  1  125  123  HG2  HA   3.56  
 17   22  1   93   91  HG3  HA   3.54  
 18   22  1   93   91  HG2  HA   3.54  
 19   22  1   77   75  HG3  HA   3.36  
 20   22  1   77   75  HG2  HA   3.36  
 21  267  1  146  147  HD3  HE1  3.35  
 22  267  1  146  147  HD2  HE1  3.35  
 23   47  1  157  155  HB2  HA   3.21  
 24   47  1  157  155  HB3  HA   3.21  
 25  267  1   98   99  HD3  HE1  3.21  
 26  267  1   98   99  HD2  HE1  3.21  
 27   47  1   29   27  HB2  HA   3.18  
 28   47  1   29   27  HB3  HA   3.18  
 29   47  1  141  139  HB2  HA   3.17  
 30   47  1  141  139  HB3  HA   3.17  
 31   47  1   61   59  HB2  HA   3.07  
 32   47  1   61   59  HB3  HA   3.07  
 33   47  1   77   75  HB2  HA   3.05  
 34   47  1   77   75  HB3  HA   3.05  
 35   47  1  125  123  HB2  HA   3.05  
 36   47  1  125  123  HB3  HA   3.05  
 37   47  1  109  107  HB2  HA   3.00  
 38   47  1  109  107  HB3  HA   3.00  
 39   47  1   45   43  HB2  HA   2.98  
 40   47  1   45   43  HB3  HA   2.98  
 41   47  1   13   11  HB2  HA   2.79  
 42   47  1   13   11  HB3  HA   2.79  
 43   47  1   93   91  HB2  HA   2.79  
 44   47  1   93   91  HB3  HA   2.79  
 45  267  1   50   51  HD3  HE1  2.16  
 46  267  1   50   51  HD2  HE1  2.16  
 47  228  1  100   99  HG2  HE1  1.80  
 48  228  1  100   99  HG3  HE1  1.80  
 49  228  1   98   99  HG2  HE1  1.80  
 50  228  1  148  147  HG2  HE1  1.57  
 51  228  1  148  147  HG3  HE1  1.57  
 52  228  1  146  147  HG2  HE1  1.57  
 53  248  1   18   22  HB3  HE1  1.51  
 54  248  1   17   22  HB2  HE1  1.51  
 55  248  1    2    6  HB3  HE1  1.36  
 56  248  1    1    6  HB2  HE1  1.36  
 57  124  1  155  157  HA   H    1.30  
 58  124  1  139  141  HA   H    1.27  
 59  124  1   27   29  HA   H    1.24  
 60  124  1   59   61  HA   H    1.23  
 61  124  1  107  109  HA   H    1.23  
 62  124  1  123  125  HA   H    1.19  
 63  124  1   75   77  HA   H    1.18  
 64  124  1   43   45  HA   H    1.10  
 65  248  1   66   70  HB3  HE1  1.07  
 66  248  1   65   70  HB2  HE1  1.07  
 67  248  1  114  118  HB3  HE1  1.07  
 68  248  1  113  118  HB2  HE1  1.07  
 69  124  1   11   13  HA   H    1.06  
 70  124  1   91   93  HA   H    1.05  
 71  248  1   34   38  HB3  HE1  0.94  
 72  248  1   33   38  HB2  HE1  0.94  
 73  292  1   91   93  HA   HG3  0.88  
 74  292  1   91   93  HA   HG2  0.88  
 75  292  1   85   88  HA   HG3  0.88  
 76  248  1   82   86  HB3  HE1  0.83  
 77  248  1   81   86  HB2  HE1  0.83  
 78  248  1  130  134  HB3  HE1  0.82  
 79  248  1  129  134  HB2  HE1  0.82  
 80  189  1   27   31  HE3  HB3  0.60  
 81  189  1   27   31  HZ2  HB3  0.60  
 82  292  1   11   13  HA   HG3  0.59  
 83  292  1   11   13  HA   HG2  0.59  
 84  292  1    5    8  HA   HG3  0.59  
 85  189  1   43   47  HE3  HB3  0.53  
 86  189  1   43   47  HZ2  HB3  0.53  
 87   49  1  116  116  HB2  HA   0.52  
 88   49  1   20   20  HB2  HA   0.51  
 89   49  1   52   52  HB2  HA   0.51  
 90   49  1    4    4  HB2  HA   0.50  
 91   49  1   68   68  HB2  HA   0.50  
 92   49  1   84   84  HB2  HA   0.50  
 93   49  1  132  132  HB2  HA   0.50  
 94  292  1  139  141  HA   HG3  0.50  
 95  292  1  139  141  HA   HG2  0.50  
 96  292  1  133  136  HA   HG3  0.50  
 97   49  1   36   36  HB2  HA   0.49  
 98   29  1   18   18  HB2  H    0.49  
 99   29  1    2    2  HB2  H    0.48  
100   29  1  114  114  HB2  H    0.47  
101   29  1   66   66  HB2  H    0.46  
102   29  1  130  130  HB2  H    0.45  
103   29  1   82   82  HB2  H    0.44  
104   29  1   34   34  HB2  H    0.42  
105  232  1    8    7  HG2  HD1  0.40  
106  232  1    8    7  HG3  HD1  0.40  
107  253  1  120  119  HB3  HD1  0.37  
108  253  1  116  119  HB2  HD1  0.37  
109  253  1  128  123  HB2  HH2  0.37  
110  253  1  116  115  HB2  HD1  0.37  
111  253  1  128  123  HB3  HH2  0.37  
112  253  1  117  115  HB2  HD1  0.37  
113  253  1  121  119  HB2  HD1  0.37  
114   21  1  109  109  HG2  H    0.30  
115   21  1  109  109  HG3  H    0.30  
116  232  1   88   87  HG2  HD1  0.29  
117  232  1   88   87  HG3  HD1  0.29  
118   21  1   93   93  HG2  H    0.29  
119   21  1   93   93  HG3  H    0.29  
120   27  1   16   16  HG2  H    0.23  
121   27  1   16   16  HG3  H    0.23  
122  253  1   40   39  HB3  HD1  0.22  
123  253  1   36   39  HB2  HD1  0.22  
124  253  1   48   43  HB2  HH2  0.22  
125  253  1   36   35  HB2  HD1  0.22  
126  253  1   48   43  HB3  HH2  0.22  
127  253  1   37   35  HB2  HD1  0.22  
128  253  1   41   39  HB2  HD1  0.22  
129   13  1  148  148  HG2  H    0.22  
130   13  1  148  148  HG3  H    0.22  
131   85  1   36   39  HD3  HZ2  0.21  
132   85  1   36   39  HD2  HZ2  0.21  
133   85  1   36   39  HD3  HH2  0.21  
134   85  1   36   39  HD2  HH2  0.21  
135  232  1   56   55  HG2  HD1  0.20  
136  232  1   56   55  HG3  HD1  0.20  
137  267  1  130  131  HD3  HE1  0.19  
138  267  1  130  131  HD2  HE1  0.19  
139  253  1   24   23  HB3  HD1  0.19  
140  253  1   20   23  HB2  HD1  0.19  
141  253  1   32   27  HB2  HH2  0.19  
142  253  1   20   19  HB2  HD1  0.19  
143  253  1   32   27  HB3  HH2  0.19  
144  253  1   21   19  HB2  HD1  0.19  
145  253  1   25   23  HB2  HD1  0.19  
146   85  1  148  151  HD3  HZ2  0.18  
147   85  1  148  151  HD2  HZ2  0.18  
148   85  1  148  151  HD3  HH2  0.18  
149   85  1  148  151  HD2  HH2  0.18  
150   13  1  100  100  HG2  H    0.18  
151   13  1  100  100  HG3  H    0.18  
152   85  1   84   87  HD3  HZ2  0.17  
153   85  1   84   87  HD2  HZ2  0.17  
154   85  1   84   87  HD3  HH2  0.17  
155   85  1   84   87  HD2  HH2  0.17  
156  187  1   59   59  HE3  HA   0.17  
157  187  1   75   75  HE3  HA   0.17  
158  187  1   43   43  HE3  HA   0.16  
159  187  1   91   91  HE3  HA   0.16  
160   11  1  148  147  HG2  HH2  0.16  
161   11  1  148  147  HG3  HH2  0.16  
162   85  1   68   71  HD3  HZ2  0.15  
163   85  1   68   71  HD2  HZ2  0.15  
164   85  1   68   71  HD3  HH2  0.15  
165   85  1   68   71  HD2  HH2  0.15  
166  261  1  159  155  HD3  HE3  0.15  
167  261  1  159  155  HD2  HE3  0.15  
168  261  1  158  157  HB3  H    0.15  
169  261  1  159  157  HD3  H    0.15  
170  261  1  159  157  HD2  H    0.15  
171  261  1  158  155  HB3  HE3  0.15  
172  256  1  132  131  HB2  HZ3  0.15  
173  256  1  141  138  HB3  HD1  0.15  
174  256  1  133  134  HB2  HZ3  0.15  
175  256  1  133  134  HB3  HZ3  0.15  
176  256  1  137  138  HB2  HD1  0.15  
177  256  1  136  138  HB3  HD1  0.15  
178  256  1  141  138  HB2  HD1  0.15  
179  256  1  140  138  HB2  HD1  0.15  
180  256  1  132  134  HB2  HZ3  0.15  
181  187  1   11   11  HE3  HA   0.15  
182   85  1  132  135  HD3  HZ2  0.14  
183   85  1  132  135  HD2  HZ2  0.14  
184   85  1  132  135  HD3  HH2  0.14  
185   85  1  132  135  HD2  HH2  0.14  
186  366  1  119  118  H    HE3  0.14  
187  366  1  119  115  H    HE3  0.14  
188  267  1   82   83  HD3  HE1  0.14  
189  267  1   82   83  HD2  HE1  0.14  
190  256  1  116  115  HB2  HZ3  0.14  
191  256  1  125  122  HB3  HD1  0.14  
192  256  1  117  118  HB2  HZ3  0.14  
193  256  1  117  118  HB3  HZ3  0.14  
194  256  1  121  122  HB2  HD1  0.14  
195  256  1  120  122  HB3  HD1  0.14  
196  256  1  125  122  HB2  HD1  0.14  
197  256  1  124  122  HB2  HD1  0.14  
198  256  1  116  118  HB2  HZ3  0.14  
199  245  1  152  151  HB2  HD1  0.14  
200  245  1  146  147  HB3  HD1  0.14  
201  245  1  145  147  HB3  HD1  0.14  
202  245  1  145  147  HB2  HD1  0.14  
203  245  1  148  151  HB3  HD1  0.14  
204   85  1  100  103  HD3  HZ2  0.13  
205   85  1  100  103  HD2  HZ2  0.13  
206   85  1  100  103  HD3  HH2  0.13  
207   85  1  100  103  HD2  HH2  0.13  
208   85  1  116  119  HD3  HZ2  0.13  
209   85  1  116  119  HD2  HZ2  0.13  
210   85  1  116  119  HD3  HH2  0.13  
211   85  1  116  119  HD2  HH2  0.13  
212   75  1   50   50  HD2  HA   0.13  
213   75  1   50   50  HD3  HA   0.13  
214  255  1   80   75  HB2  HZ3  0.13  
215  255  1   80   75  HB3  HZ3  0.13  
216  255  1   68   67  HB2  HH2  0.13  
217  255  1   72   75  HB3  HD1  0.13  
218  255  1   69   70  HB3  HH2  0.13  
219  255  1   76   75  HB2  HZ3  0.13  
220  185  1  158  155  HE3  HA   0.13  
221  182  1   47   42  HE   HZ2  0.13  
222   85  1    4    7  HD3  HZ2  0.12  
223   85  1    4    7  HD2  HZ2  0.12  
224   85  1    4    7  HD3  HH2  0.12  
225   85  1    4    7  HD2  HH2  0.12  
226   85  1   52   55  HD3  HZ2  0.12  
227   85  1   52   55  HD2  HZ2  0.12  
228   85  1   52   55  HD3  HH2  0.12  
229   85  1   52   55  HD2  HH2  0.12  
230  354  1   47   47  H    HD2  0.12  
231  354  1   47   46  H    HB3  0.12  
232  354  1   47   47  H    HD3  0.12  
233    3  2   11   16  HH2  HA   0.11  
234   48  1   57   57  HB2  HA   0.11  
235   48  1   73   73  HB2  HA   0.11  
236  256  1   36   35  HB2  HZ3  0.11  
237  256  1   45   42  HB3  HD1  0.11  
238  256  1   37   38  HB2  HZ3  0.11  
239  256  1   37   38  HB3  HZ3  0.11  
240  256  1   41   42  HB2  HD1  0.11  
241  256  1   40   42  HB3  HD1  0.11  
242  256  1   45   42  HB2  HD1  0.11  
243  256  1   44   42  HB2  HD1  0.11  
244  256  1   36   38  HB2  HZ3  0.11  
245  187  1   27   27  HE3  HA   0.11  
246  182  1   15   10  HE   HZ2  0.11  
247   11  1  100   99  HG2  HH2  0.11  
248   11  1  100   99  HG3  HH2  0.11  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  coreclust              2.33                                                                  Y  
3  chemicalshiftanalysis  2.33                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
6  restraintsanalysis     v1.2                                                                  Y  
7  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
