data_1E76

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   1E76      
PDBE  EBI-5314  
BMRB  4847      
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    1E76
_pdbx_vrpt_summary.PDB_deposition_date         2000-08-24
_pdbx_vrpt_summary.PDB_revision_number         6
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-06:15:54
_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  "ALPHA-CONOTOXIN IM1(D5N)"
#
_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   99.94  158937  ?     ?     
2  2  1  100.00   12864  ?     ?     
3  1  2    1.38  154571  ?     ?     
4  2  2   11.39   11451  ?     ?     
5  1  3    1.77  154315  ?     ?     
6  2  3   20.32   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    1.05  
 4  6  3  A   1  1  A    1.05  
 5  3  2  A   2  1  A    0.52  
 6  4  2  A   2  1  A    0.52  
 7  5  3  A   2  1  A    0.18  
 8  6  3  A   2  1  A    0.18  
 9  3  2  A   3  1  A    0.07  
10  4  2  A   3  1  A    0.07  
11  5  3  A   3  1  A    1.05  
12  6  3  A   3  1  A    1.05  
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    0.18  
16  6  3  A   4  1  A    0.18  
17  3  2  A   5  1  A    0.52  
18  4  2  A   5  1  A    0.52  
19  5  3  A   5  1  A    0.01  
20  6  3  A   5  1  A    0.01  
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    1.05  
24  6  3  A   6  1  A    1.05  
25  3  2  A   7  1  A    0.07  
26  4  2  A   7  1  A    0.07  
27  5  3  A   7  1  A    0.18  
28  6  3  A   7  1  A    0.18  
29  3  2  A   8  1  A    0.52  
30  4  2  A   8  1  A    0.52  
31  5  3  A   8  1  A    1.05  
32  6  3  A   8  1  A    1.05  
33  3  2  A   9  1  A    0.52  
34  4  2  A   9  1  A    0.52  
35  5  3  A   9  1  A    0.18  
36  6  3  A   9  1  A    0.18  
37  3  2  A  10  1  A    0.52  
38  4  2  A  10  1  A    0.52  
39  5  3  A  10  1  A    0.18  
40  6  3  A  10  1  A    0.18  
41  3  2  A  11  1  A    0.07  
42  4  2  A  11  1  A    0.07  
43  5  3  A  11  1  A    7.33  
44  6  3  A  11  1  A    7.33  
45  3  2  A  12  1  A  100.00  
46  4  2  A  12  1  A  100.00  
47  5  3  A  12  1  A    1.05  
48  6  3  A  12  1  A    1.05  
49  3  2  A  13  1  A    0.52  
50  4  2  A  13  1  A    0.52  
51  5  3  A  13  1  A    1.05  
52  6  3  A  13  1  A    1.05  
53  3  2  A  14  1  A    0.52  
54  4  2  A  14  1  A    0.52  
55  5  3  A  14  1  A    0.18  
56  6  3  A  14  1  A    0.18  
57  3  2  A  15  1  A    0.52  
58  4  2  A  15  1  A    0.52  
59  5  3  A  15  1  A    1.05  
60  6  3  A  15  1  A    1.05  
61  3  2  A  16  1  A  100.00  
62  4  2  A  16  1  A  100.00  
63  5  3  A  16  1  A    0.18  
64  6  3  A  16  1  A    0.18  
65  3  2  A  17  1  A    0.52  
66  4  2  A  17  1  A    0.52  
67  5  3  A  17  1  A    0.18  
68  6  3  A  17  1  A    0.18  
69  3  2  A  18  1  A    0.07  
70  4  2  A  18  1  A    0.07  
71  5  3  A  18  1  A    0.00  
72  6  3  A  18  1  A    0.00  
73  3  2  A  19  1  A    0.52  
74  4  2  A  19  1  A    0.52  
75  5  3  A  19  1  A    1.05  
76  6  3  A  19  1  A    1.05  
77  3  2  A  20  1  A    0.07  
78  4  2  A  20  1  A    0.07  
79  5  3  A  20  1  A    0.18  
80  6  3  A  20  1  A    0.18  
#
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  1.22  0.55  92  123  
 2   2  1  A  A  1.22  0.54  92  123  
 3   3  1  A  A  1.10  0.50  92  123  
 4   4  1  A  A  1.24  0.53  92  123  
 5   5  1  A  A  1.32  0.55  92  123  
 6   6  1  A  A  1.13  0.57  92  123  
 7   7  1  A  A  1.16  0.56  92  123  
 8   8  1  A  A  1.23  0.58  92  123  
 9   9  1  A  A  1.28  0.54  92  123  
10  10  1  A  A  1.21  0.56  92  123  
11  11  1  A  A  1.36  0.55  92  123  
12  12  1  A  A  1.32  0.55  92  123  
13  13  1  A  A  1.16  0.50  92  123  
14  14  1  A  A  1.22  0.50  92  123  
15  15  1  A  A  1.33  0.55  92  123  
16  16  1  A  A  1.20  0.51  92  123  
17  17  1  A  A  1.44  0.55  92  123  
18  18  1  A  A  1.36  0.56  92  123  
19  19  1  A  A  1.20  0.57  92  123  
20  20  1  A  A  1.34  0.55  92  123  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              9.09
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  9.09
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   27.50
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       27.50
_pdbx_vrpt_summary_geometry.clashscore_full_length                     0.00
_pdbx_vrpt_summary_geometry.num_H_reduce                               1600
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             1840
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.54
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            2460
_pdbx_vrpt_summary_geometry.angles_RMSZ                                1.25
#
_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            19
_pdbx_vrpt_summary_nmr.medoid_model                             13
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              0
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_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              50.36
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  49.66
#
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_plane_outliers
  1   1  1  A   1  GLY  A   1  .  ?        ?  
  2   1  1  A   2  CYS  A   2  .  ?        ?  
  3   1  1  A   3  CYS  A   3  .  ?        ?  
  4   1  1  A   4  SER  A   4  .  ?        ?  
  5   1  1  A   5  ASN  A   5  .  ?        ?  
  6   1  1  A   6  PRO  A   6  .  ?        ?  
  7   1  1  A   7  ARG  A   7  .  ?        ?  
  8   1  1  A   8  CYS  A   8  .  ?        ?  
  9   1  1  A   9  ALA  A   9  .  ?        ?  
 10   1  1  A  10  TRP  A  10  .  ?        ?  
 11   1  1  A  11  ARG  A  11  .  ?        ?  
 12   1  1  A  12  CYS  A  12  .  ?        ?  
 13   1  1  A  13  NH2  A  13  .  ?        ?  
 14   2  1  A   1  GLY  A   1  .  ?        ?  
 15   2  1  A   2  CYS  A   2  .  ?        ?  
 16   2  1  A   3  CYS  A   3  .  ?        ?  
 17   2  1  A   4  SER  A   4  .  ?        ?  
 18   2  1  A   5  ASN  A   5  .  ?        ?  
 19   2  1  A   6  PRO  A   6  .  ?        ?  
 20   2  1  A   7  ARG  A   7  .  ?        ?  
 21   2  1  A   8  CYS  A   8  .  ?        ?  
 22   2  1  A   9  ALA  A   9  .  ?        ?  
 23   2  1  A  10  TRP  A  10  .  ?        ?  
 24   2  1  A  11  ARG  A  11  .  ?        ?  
 25   2  1  A  12  CYS  A  12  .  ?        ?  
 26   2  1  A  13  NH2  A  13  .  ?        ?  
 27   3  1  A   1  GLY  A   1  .  ?        ?  
 28   3  1  A   2  CYS  A   2  .  ?        ?  
 29   3  1  A   3  CYS  A   3  .  ?        ?  
 30   3  1  A   4  SER  A   4  .  ?        ?  
 31   3  1  A   5  ASN  A   5  .  ?        ?  
 32   3  1  A   6  PRO  A   6  .  ?        ?  
 33   3  1  A   7  ARG  A   7  .  ?        ?  
 34   3  1  A   8  CYS  A   8  .  ?        ?  
 35   3  1  A   9  ALA  A   9  .  ?        ?  
 36   3  1  A  10  TRP  A  10  .  ?        ?  
 37   3  1  A  11  ARG  A  11  .  ?        ?  
 38   3  1  A  12  CYS  A  12  .  ?        ?  
 39   3  1  A  13  NH2  A  13  .  ?        ?  
 40   4  1  A   1  GLY  A   1  .  ?        ?  
 41   4  1  A   2  CYS  A   2  .  ?        ?  
 42   4  1  A   3  CYS  A   3  .  ?        ?  
 43   4  1  A   4  SER  A   4  .  ?        ?  
 44   4  1  A   5  ASN  A   5  .  ?        ?  
 45   4  1  A   6  PRO  A   6  .  ?        ?  
 46   4  1  A   7  ARG  A   7  .  ?        1  
 47   4  1  A   8  CYS  A   8  .  ?        ?  
 48   4  1  A   9  ALA  A   9  .  ?        ?  
 49   4  1  A  10  TRP  A  10  .  ?        ?  
 50   4  1  A  11  ARG  A  11  .  ?        ?  
 51   4  1  A  12  CYS  A  12  .  ?        ?  
 52   4  1  A  13  NH2  A  13  .  ?        ?  
 53   5  1  A   1  GLY  A   1  .  ?        ?  
 54   5  1  A   2  CYS  A   2  .  ?        ?  
 55   5  1  A   3  CYS  A   3  .  ?        ?  
 56   5  1  A   4  SER  A   4  .  ?        ?  
 57   5  1  A   5  ASN  A   5  .  ?        ?  
 58   5  1  A   6  PRO  A   6  .  ?        ?  
 59   5  1  A   7  ARG  A   7  .  ?        ?  
 60   5  1  A   8  CYS  A   8  .  ?        ?  
 61   5  1  A   9  ALA  A   9  .  ?        ?  
 62   5  1  A  10  TRP  A  10  .  ?        ?  
 63   5  1  A  11  ARG  A  11  .  ?        ?  
 64   5  1  A  12  CYS  A  12  .  ?        ?  
 65   5  1  A  13  NH2  A  13  .  ?        ?  
 66   6  1  A   1  GLY  A   1  .  ?        ?  
 67   6  1  A   2  CYS  A   2  .  ?        ?  
 68   6  1  A   3  CYS  A   3  .  ?        ?  
 69   6  1  A   4  SER  A   4  .  ?        ?  
 70   6  1  A   5  ASN  A   5  .  ?        ?  
 71   6  1  A   6  PRO  A   6  .  ?        ?  
 72   6  1  A   7  ARG  A   7  .  ?        ?  
 73   6  1  A   8  CYS  A   8  .  ?        ?  
 74   6  1  A   9  ALA  A   9  .  ?        ?  
 75   6  1  A  10  TRP  A  10  .  ?        ?  
 76   6  1  A  11  ARG  A  11  .  ?        ?  
 77   6  1  A  12  CYS  A  12  .  ?        ?  
 78   6  1  A  13  NH2  A  13  .  ?        ?  
 79   7  1  A   1  GLY  A   1  .  ?        ?  
 80   7  1  A   2  CYS  A   2  .  ?        ?  
 81   7  1  A   3  CYS  A   3  .  ?        ?  
 82   7  1  A   4  SER  A   4  .  ?        ?  
 83   7  1  A   5  ASN  A   5  .  ?        ?  
 84   7  1  A   6  PRO  A   6  .  ?        ?  
 85   7  1  A   7  ARG  A   7  .  ?        ?  
 86   7  1  A   8  CYS  A   8  .  ?        ?  
 87   7  1  A   9  ALA  A   9  .  ?        ?  
 88   7  1  A  10  TRP  A  10  .  ?        ?  
 89   7  1  A  11  ARG  A  11  .  ?        ?  
 90   7  1  A  12  CYS  A  12  .  ?        ?  
 91   7  1  A  13  NH2  A  13  .  ?        ?  
 92   8  1  A   1  GLY  A   1  .  ?        ?  
 93   8  1  A   2  CYS  A   2  .  ?        ?  
 94   8  1  A   3  CYS  A   3  .  ?        ?  
 95   8  1  A   4  SER  A   4  .  ?        ?  
 96   8  1  A   5  ASN  A   5  .  ?        ?  
 97   8  1  A   6  PRO  A   6  .  ?        ?  
 98   8  1  A   7  ARG  A   7  .  ?        ?  
 99   8  1  A   8  CYS  A   8  .  ?        ?  
100   8  1  A   9  ALA  A   9  .  ?        ?  
101   8  1  A  10  TRP  A  10  .  ?        ?  
102   8  1  A  11  ARG  A  11  .  ?        ?  
103   8  1  A  12  CYS  A  12  .  ?        ?  
104   8  1  A  13  NH2  A  13  .  ?        ?  
105   9  1  A   1  GLY  A   1  .  ?        ?  
106   9  1  A   2  CYS  A   2  .  ?        ?  
107   9  1  A   3  CYS  A   3  .  ?        ?  
108   9  1  A   4  SER  A   4  .  ?        ?  
109   9  1  A   5  ASN  A   5  .  ?        ?  
110   9  1  A   6  PRO  A   6  .  ?        ?  
111   9  1  A   7  ARG  A   7  .  ?        ?  
112   9  1  A   8  CYS  A   8  .  ?        ?  
113   9  1  A   9  ALA  A   9  .  ?        ?  
114   9  1  A  10  TRP  A  10  .  ?        ?  
115   9  1  A  11  ARG  A  11  .  ?        1  
116   9  1  A  12  CYS  A  12  .  ?        ?  
117   9  1  A  13  NH2  A  13  .  ?        ?  
118  10  1  A   1  GLY  A   1  .  ?        ?  
119  10  1  A   2  CYS  A   2  .  ?        ?  
120  10  1  A   3  CYS  A   3  .  ?        ?  
121  10  1  A   4  SER  A   4  .  ?        ?  
122  10  1  A   5  ASN  A   5  .  ?        ?  
123  10  1  A   6  PRO  A   6  .  ?        ?  
124  10  1  A   7  ARG  A   7  .  ?        ?  
125  10  1  A   8  CYS  A   8  .  ?        ?  
126  10  1  A   9  ALA  A   9  .  ?        ?  
127  10  1  A  10  TRP  A  10  .  ?        ?  
128  10  1  A  11  ARG  A  11  .  ?        ?  
129  10  1  A  12  CYS  A  12  .  ?        ?  
130  10  1  A  13  NH2  A  13  .  ?        ?  
131  11  1  A   1  GLY  A   1  .  ?        ?  
132  11  1  A   2  CYS  A   2  .  ?        ?  
133  11  1  A   3  CYS  A   3  .  ?        ?  
134  11  1  A   4  SER  A   4  .  ?        ?  
135  11  1  A   5  ASN  A   5  .  ?        ?  
136  11  1  A   6  PRO  A   6  .  ?        ?  
137  11  1  A   7  ARG  A   7  .  ?        ?  
138  11  1  A   8  CYS  A   8  .  ?        ?  
139  11  1  A   9  ALA  A   9  .  ?        ?  
140  11  1  A  10  TRP  A  10  .  ?        ?  
141  11  1  A  11  ARG  A  11  .  ?        ?  
142  11  1  A  12  CYS  A  12  .  ?        ?  
143  11  1  A  13  NH2  A  13  .  ?        ?  
144  12  1  A   1  GLY  A   1  .  ?        ?  
145  12  1  A   2  CYS  A   2  .  ?        ?  
146  12  1  A   3  CYS  A   3  .  ?        ?  
147  12  1  A   4  SER  A   4  .  ?        ?  
148  12  1  A   5  ASN  A   5  .  ?        ?  
149  12  1  A   6  PRO  A   6  .  ?        ?  
150  12  1  A   7  ARG  A   7  .  ?        ?  
151  12  1  A   8  CYS  A   8  .  ?        ?  
152  12  1  A   9  ALA  A   9  .  ?        ?  
153  12  1  A  10  TRP  A  10  .  ?        ?  
154  12  1  A  11  ARG  A  11  .  ?        ?  
155  12  1  A  12  CYS  A  12  .  ?        ?  
156  12  1  A  13  NH2  A  13  .  ?        ?  
157  13  1  A   1  GLY  A   1  .  ?        ?  
158  13  1  A   2  CYS  A   2  .  ?        ?  
159  13  1  A   3  CYS  A   3  .  ?        ?  
160  13  1  A   4  SER  A   4  .  ?        ?  
161  13  1  A   5  ASN  A   5  .  ?        ?  
162  13  1  A   6  PRO  A   6  .  ?        ?  
163  13  1  A   7  ARG  A   7  .  ?        ?  
164  13  1  A   8  CYS  A   8  .  ?        ?  
165  13  1  A   9  ALA  A   9  .  ?        ?  
166  13  1  A  10  TRP  A  10  .  ?        ?  
167  13  1  A  11  ARG  A  11  .  ?        ?  
168  13  1  A  12  CYS  A  12  .  ?        ?  
169  13  1  A  13  NH2  A  13  .  ?        ?  
170  14  1  A   1  GLY  A   1  .  ?        ?  
171  14  1  A   2  CYS  A   2  .  ?        ?  
172  14  1  A   3  CYS  A   3  .  ?        ?  
173  14  1  A   4  SER  A   4  .  ?        ?  
174  14  1  A   5  ASN  A   5  .  ?        ?  
175  14  1  A   6  PRO  A   6  .  ?        ?  
176  14  1  A   7  ARG  A   7  .  ?        ?  
177  14  1  A   8  CYS  A   8  .  ?        ?  
178  14  1  A   9  ALA  A   9  .  ?        ?  
179  14  1  A  10  TRP  A  10  .  ?        ?  
180  14  1  A  11  ARG  A  11  .  ?        ?  
181  14  1  A  12  CYS  A  12  .  ?        ?  
182  14  1  A  13  NH2  A  13  .  ?        ?  
183  15  1  A   1  GLY  A   1  .  ?        ?  
184  15  1  A   2  CYS  A   2  .  ?        ?  
185  15  1  A   3  CYS  A   3  .  ?        ?  
186  15  1  A   4  SER  A   4  .  ?        ?  
187  15  1  A   5  ASN  A   5  .  ?        ?  
188  15  1  A   6  PRO  A   6  .  ?        ?  
189  15  1  A   7  ARG  A   7  .  ?        ?  
190  15  1  A   8  CYS  A   8  .  ?        ?  
191  15  1  A   9  ALA  A   9  .  ?        ?  
192  15  1  A  10  TRP  A  10  .  ?        ?  
193  15  1  A  11  ARG  A  11  .  ?        ?  
194  15  1  A  12  CYS  A  12  .  ?        ?  
195  15  1  A  13  NH2  A  13  .  ?        ?  
196  16  1  A   1  GLY  A   1  .  ?        ?  
197  16  1  A   2  CYS  A   2  .  ?        ?  
198  16  1  A   3  CYS  A   3  .  ?        ?  
199  16  1  A   4  SER  A   4  .  ?        ?  
200  16  1  A   5  ASN  A   5  .  ?        ?  
201  16  1  A   6  PRO  A   6  .  ?        ?  
202  16  1  A   7  ARG  A   7  .  ?        ?  
203  16  1  A   8  CYS  A   8  .  ?        ?  
204  16  1  A   9  ALA  A   9  .  ?        ?  
205  16  1  A  10  TRP  A  10  .  ?        ?  
206  16  1  A  11  ARG  A  11  .  ?        ?  
207  16  1  A  12  CYS  A  12  .  ?        ?  
208  16  1  A  13  NH2  A  13  .  ?        ?  
209  17  1  A   1  GLY  A   1  .  ?        ?  
210  17  1  A   2  CYS  A   2  .  ?        ?  
211  17  1  A   3  CYS  A   3  .  ?        ?  
212  17  1  A   4  SER  A   4  .  ?        ?  
213  17  1  A   5  ASN  A   5  .  ?        ?  
214  17  1  A   6  PRO  A   6  .  ?        ?  
215  17  1  A   7  ARG  A   7  .  ?        ?  
216  17  1  A   8  CYS  A   8  .  ?        ?  
217  17  1  A   9  ALA  A   9  .  ?        ?  
218  17  1  A  10  TRP  A  10  .  ?        ?  
219  17  1  A  11  ARG  A  11  .  ?        ?  
220  17  1  A  12  CYS  A  12  .  ?        ?  
221  17  1  A  13  NH2  A  13  .  ?        ?  
222  18  1  A   1  GLY  A   1  .  ?        ?  
223  18  1  A   2  CYS  A   2  .  ?        ?  
224  18  1  A   3  CYS  A   3  .  ?        ?  
225  18  1  A   4  SER  A   4  .  ?        ?  
226  18  1  A   5  ASN  A   5  .  ?        ?  
227  18  1  A   6  PRO  A   6  .  ?        ?  
228  18  1  A   7  ARG  A   7  .  ?        ?  
229  18  1  A   8  CYS  A   8  .  ?        ?  
230  18  1  A   9  ALA  A   9  .  ?        ?  
231  18  1  A  10  TRP  A  10  .  ?        ?  
232  18  1  A  11  ARG  A  11  .  ?        ?  
233  18  1  A  12  CYS  A  12  .  ?        ?  
234  18  1  A  13  NH2  A  13  .  ?        ?  
235  19  1  A   1  GLY  A   1  .  ?        ?  
236  19  1  A   2  CYS  A   2  .  ?        ?  
237  19  1  A   3  CYS  A   3  .  ?        ?  
238  19  1  A   4  SER  A   4  .  ?        ?  
239  19  1  A   5  ASN  A   5  .  ?        ?  
240  19  1  A   6  PRO  A   6  .  ?        ?  
241  19  1  A   7  ARG  A   7  .  ?        ?  
242  19  1  A   8  CYS  A   8  .  ?        ?  
243  19  1  A   9  ALA  A   9  .  ?        ?  
244  19  1  A  10  TRP  A  10  .  ?        ?  
245  19  1  A  11  ARG  A  11  .  ?        ?  
246  19  1  A  12  CYS  A  12  .  ?        ?  
247  19  1  A  13  NH2  A  13  .  ?        ?  
248  20  1  A   1  GLY  A   1  .  ?        ?  
249  20  1  A   2  CYS  A   2  .  ?        ?  
250  20  1  A   3  CYS  A   3  .  ?        ?  
251  20  1  A   4  SER  A   4  .  ?        ?  
252  20  1  A   5  ASN  A   5  .  ?        ?  
253  20  1  A   6  PRO  A   6  .  ?        ?  
254  20  1  A   7  ARG  A   7  .  ?        ?  
255  20  1  A   8  CYS  A   8  .  ?        ?  
256  20  1  A   9  ALA  A   9  .  ?        ?  
257  20  1  A  10  TRP  A  10  .  ?        ?  
258  20  1  A  11  ARG  A  11  .  ?        ?  
259  20  1  A  12  CYS  A  12  .  ?        ?  
260  20  1  A  13  NH2  A  13  .  ?        ?  
#
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  ?             ?       ?  ?           5     4  0.38     5  0.64  molprobity     ?  False  
  2    2  t        -133.8   -40.1  Allowed     4     6  0.19     8  0.67  molprobity     1  True   
  3    3  p         -59.1   -20.5  Favored     4     6  0.21     8  1.46  molprobity     1  True   
  4    4  p         -63.5     0.2  Allowed     5     6  0.46     8  1.41  molprobity     1  True   
  5    5  t30      -134.5   130.1  Favored     6     8  0.34    12  0.86  molprobity     1  True   
  6    6  Cg_endo   -73.6    11.8  Allowed     7     8  0.62    11  1.09  molprobity     1  True   
  7    7  ttp-105   -97.0     7.2  Favored    13    11  0.44    14  1.74  molprobity     1  True   
  8    8  OUTLIER  -133.8    27.8  Favored     4     6  0.22     8  0.58  molprobity     1  True   
  9    9  ?         -52.9   -41.0  Favored     5     5  0.27     7  0.93  molprobity     1  True   
 10   10  m0        -60.2   -38.0  Favored    10    16  0.92    23  1.58  molprobity     1  True   
 11   11  OUTLIER  -173.3   151.2  Favored    13    11  0.61    14  0.81  molprobity     1  True   
 12   12  t        -143.9   171.2  Favored     4     5  0.41     5  1.07  molprobity     1  True   
 13   13  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 14   14  ?             ?       ?  ?           5     4  0.39     5  0.83  molprobity     ?  False  
 15   15  t         -43.9   -48.9  Favored     4     6  0.20     8  1.46  molprobity     1  True   
 16   16  m         -68.6   -30.4  Favored     4     6  0.22     8  0.69  molprobity     1  True   
 17   17  p         -85.9   -27.0  Favored     5     6  0.36     8  0.89  molprobity     1  True   
 18   18  t-20      -83.7   139.2  Favored     6     8  0.33    12  0.75  molprobity     1  True   
 19   19  Cg_endo   -73.1    16.7  Allowed     7     8  0.68    11  1.05  molprobity     1  True   
 20   20  ttm180    -72.3   -43.6  Favored    13    11  0.52    14  1.59  molprobity     1  True   
 21   21  OUTLIER  -134.7     8.1  Favored     4     6  0.24     8  0.92  molprobity     1  True   
 22   22  ?         -66.0     1.9  Allowed     5     5  0.33     7  0.82  molprobity     1  True   
 23   23  m0        -53.8   -54.7  Favored    10    16  0.88    23  1.68  molprobity     1  True   
 24   24  OUTLIER  -173.6    51.4  OUTLIER    13    11  0.58    14  0.89  molprobity     1  True   
 25   25  OUTLIER    47.4    54.2  Favored     4     5  0.20     5  1.42  molprobity     1  True   
 26   26  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 27   27  ?             ?       ?  ?           5     4  0.39     5  1.90  molprobity     ?  False  
 28   28  OUTLIER    33.9   -69.5  OUTLIER     4     6  0.18     8  1.20  molprobity     1  True   
 29   29  t         -53.6   -52.2  Favored     4     6  0.19     8  0.65  molprobity     1  True   
 30   30  p         -85.6     0.3  Favored     5     6  0.32     8  0.88  molprobity     1  True   
 31   31  t-20     -106.5   138.4  Favored     6     8  0.27    12  0.70  molprobity     1  True   
 32   32  Cg_endo   -74.4    29.5  Allowed     7     8  0.62    11  0.99  molprobity     1  True   
 33   33  ttp180   -114.3   -19.4  Favored    13    11  0.44    14  0.81  molprobity     1  True   
 34   34  OUTLIER  -138.2    20.8  Favored     4     6  0.22     8  0.93  molprobity     1  True   
 35   35  ?         -57.9   -22.5  Favored     5     5  0.24     7  0.79  molprobity     1  True   
 36   36  m0        -55.3   -79.9  OUTLIER    10    16  0.86    23  1.57  molprobity     1  True   
 37   37  tpp85     -66.4    85.8  Allowed    13    11  0.51    14  0.91  molprobity     1  True   
 38   38  t         -68.8  -179.7  Allowed     4     5  0.35     5  0.88  molprobity     1  True   
 39   39  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 40   40  ?             ?       ?  ?           5     4  0.50     5  1.19  molprobity     ?  False  
 41   41  OUTLIER    73.5   -39.7  Allowed     4     6  0.20     8  0.88  molprobity     1  True   
 42   42  t         -53.9   -41.8  Favored     4     6  0.24     8  1.30  molprobity     1  True   
 43   43  OUTLIER   -80.7    17.7  Allowed     5     6  0.72     8  1.47  molprobity     1  True   
 44   44  t-20     -147.2   138.9  Favored     6     8  0.26    12  0.84  molprobity     1  True   
 45   45  Cg_endo   -72.4    12.5  Allowed     7     8  0.66    11  1.13  molprobity     1  True   
 46   46  ttm180    -81.9   -35.6  Favored    13    11  0.42    14  0.95  molprobity     1  True   
 47   47  OUTLIER  -141.7    19.8  Favored     4     6  0.25     8  1.27  molprobity     1  True   
 48   48  ?         -58.5   -10.9  Favored     5     5  0.29     7  0.97  molprobity     1  True   
 49   49  m0        -62.2   -62.9  Allowed    10    16  0.87    23  1.41  molprobity     1  True   
 50   50  ttt-85    -65.9   105.2  Allowed    13    11  0.38    14  1.67  molprobity     1  True   
 51   51  t        -145.8   169.5  Favored     4     5  0.35     5  0.97  molprobity     1  True   
 52   52  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 53   53  ?             ?       ?  ?           5     4  0.50     5  1.35  molprobity     ?  False  
 54   54  OUTLIER    67.6   -44.0  Allowed     4     6  0.28     8  1.20  molprobity     1  True   
 55   55  m         -62.9   -20.9  Favored     4     6  0.27     8  0.85  molprobity     1  True   
 56   56  OUTLIER   -71.0    -3.0  Favored     5     6  0.46     8  1.06  molprobity     1  True   
 57   57  t-20     -134.1   129.5  Favored     6     8  0.38    12  0.85  molprobity     1  True   
 58   58  Cg_endo   -66.9     6.3  Allowed     7     8  0.70    11  1.35  molprobity     1  True   
 59   59  ttt85     -77.3   -32.5  Favored    13    11  0.43    14  1.91  molprobity     1  True   
 60   60  OUTLIER  -134.4    18.6  Favored     4     6  0.28     8  1.16  molprobity     1  True   
 61   61  ?         -60.3   -13.8  Favored     5     5  0.25     7  0.87  molprobity     1  True   
 62   62  m0        -57.3   -50.9  Favored    10    16  0.90    23  1.57  molprobity     1  True   
 63   63  OUTLIER  -173.1    25.4  OUTLIER    13    11  0.56    14  0.71  molprobity     1  True   
 64   64  OUTLIER    65.8    13.2  Favored     4     5  0.15     5  2.01  molprobity     1  True   
 65   65  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 66   66  ?             ?       ?  ?           5     4  0.51     5  0.53  molprobity     ?  False  
 67   67  t        -152.1   -19.2  Allowed     4     6  0.19     8  0.89  molprobity     1  True   
 68   68  t         -63.5   -26.2  Favored     4     6  0.32     8  0.89  molprobity     1  True   
 69   69  p         -86.1     1.7  Favored     5     6  0.54     8  1.22  molprobity     1  True   
 70   70  t-20     -103.2   125.7  Favored     6     8  0.43    12  0.70  molprobity     1  True   
 71   71  Cg_endo   -74.5    38.4  Allowed     7     8  0.62    11  1.11  molprobity     1  True   
 72   72  ttm-85   -129.6     3.1  Favored    13    11  0.54    14  1.17  molprobity     1  True   
 73   73  OUTLIER  -133.9     9.0  Favored     4     6  0.21     8  0.84  molprobity     1  True   
 74   74  ?         -60.5   -13.5  Favored     5     5  0.35     7  0.84  molprobity     1  True   
 75   75  m0        -53.7   -25.4  Favored    10    16  0.89    23  1.63  molprobity     1  True   
 76   76  OUTLIER  -173.1   115.8  Allowed    13    11  0.61    14  0.94  molprobity     1  True   
 77   77  t         -71.8   166.5  Favored     4     5  0.30     5  1.26  molprobity     1  True   
 78   78  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 79   79  ?             ?       ?  ?           5     4  0.36     5  0.76  molprobity     ?  False  
 80   80  OUTLIER  -151.9   -39.2  Allowed     4     6  0.22     8  0.97  molprobity     1  True   
 81   81  m         -68.1   -16.8  Favored     4     6  0.29     8  0.83  molprobity     1  True   
 82   82  p         -64.0    -1.9  Allowed     5     6  0.65     8  1.25  molprobity     1  True   
 83   83  t-20     -139.4   144.6  Favored     6     8  0.35    12  0.92  molprobity     1  True   
 84   84  Cg_endo   -69.8    -7.3  Favored     7     8  0.72    11  1.42  molprobity     1  True   
 85   85  ttp180    -74.9   -37.5  Favored    13    11  0.43    14  0.76  molprobity     1  True   
 86   86  OUTLIER  -106.5    14.5  Favored     4     6  0.31     8  1.06  molprobity     1  True   
 87   87  ?         -52.9   -21.7  Favored     5     5  0.41     7  1.00  molprobity     1  True   
 88   88  m0        -54.0   -43.1  Favored    10    16  0.87    23  1.52  molprobity     1  True   
 89   89  ttm180   -173.5     9.9  OUTLIER    13    11  0.63    14  0.91  molprobity     1  True   
 90   90  OUTLIER    52.0   -29.4  OUTLIER     4     5  0.21     5  1.73  molprobity     1  True   
 91   91  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 92   92  ?             ?       ?  ?           5     4  0.41     5  0.69  molprobity     ?  False  
 93   93  t        -151.1   -54.1  Allowed     4     6  0.19     8  0.64  molprobity     1  True   
 94   94  t         -58.8   -27.7  Favored     4     6  0.53     8  1.55  molprobity     1  True   
 95   95  p         -72.2   -20.4  Favored     5     6  0.43     8  1.19  molprobity     1  True   
 96   96  t-20     -106.1   158.5  Favored     6     8  0.28    12  1.13  molprobity     1  True   
 97   97  Cg_endo   -76.5    60.2  Favored     7     8  0.66    11  0.89  molprobity     1  True   
 98   98  ttt85    -142.9     3.9  Allowed    13    11  0.57    14  1.17  molprobity     1  True   
 99   99  OUTLIER  -134.6    15.2  Favored     4     6  0.37     8  0.49  molprobity     1  True   
100  100  ?         -65.1     2.9  Allowed     5     5  0.33     7  0.80  molprobity     1  True   
101  101  m0        -55.0   -37.6  Favored    10    16  0.93    23  1.65  molprobity     1  True   
102  102  ptp180    171.7    24.1  OUTLIER    13    11  0.61    14  1.44  molprobity     1  True   
103  103  OUTLIER    70.5   -47.8  Allowed     4     5  0.26     5  1.25  molprobity     1  True   
104  104  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
105  105  ?             ?       ?  ?           5     4  0.19     5  0.62  molprobity     ?  False  
106  106  OUTLIER  -138.7   -34.7  Allowed     4     6  0.17     8  1.13  molprobity     1  True   
107  107  m         -54.5   -36.9  Favored     4     6  0.41     8  0.84  molprobity     1  True   
108  108  p         -64.2     0.1  Allowed     5     6  0.37     8  1.10  molprobity     1  True   
109  109  t-20     -147.7   127.8  Favored     6     8  0.26    12  1.05  molprobity     1  True   
110  110  Cg_endo   -74.1    -3.3  Favored     7     8  0.75    11  1.16  molprobity     1  True   
111  111  ttp180    -83.2    11.0  Favored    13    11  0.40    14  1.23  molprobity     1  True   
112  112  OUTLIER  -146.4    19.5  Allowed     4     6  0.26     8  0.84  molprobity     1  True   
113  113  ?         -42.2   -63.6  Allowed     5     5  0.42     7  1.03  molprobity     1  True   
114  114  m0        -69.4   -37.8  Favored    10    16  0.89    23  1.61  molprobity     1  True   
115  115  ttt85     -66.3    24.8  OUTLIER    13    11  0.55    14  1.78  molprobity     1  True   
116  116  OUTLIER   -63.9   174.4  Allowed     4     5  0.40     5  1.20  molprobity     1  True   
117  117  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
118  118  ?             ?       ?  ?           5     4  0.61     5  0.50  molprobity     ?  False  
119  119  t        -136.3   -34.0  Allowed     4     6  0.16     8  0.84  molprobity     1  True   
120  120  m         -58.5   -27.7  Favored     4     6  0.39     8  1.38  molprobity     1  True   
121  121  OUTLIER   -63.6     1.5  Allowed     5     6  0.65     8  1.37  molprobity     1  True   
122  122  t30      -133.7   133.2  Favored     6     8  0.29    12  1.07  molprobity     1  True   
123  123  Cg_endo   -74.9    74.2  Favored     7     8  0.65    11  1.04  molprobity     1  True   
124  124  ttt-85   -158.3    -7.7  Allowed    13    11  0.42    14  1.17  molprobity     1  True   
125  125  OUTLIER  -138.9    15.8  Favored     4     6  0.19     8  0.79  molprobity     1  True   
126  126  ?         -58.8   -37.3  Favored     5     5  0.33     7  0.79  molprobity     1  True   
127  127  m0        -71.8  -106.5  OUTLIER    10    16  0.93    23  1.59  molprobity     1  True   
128  128  ttm180    -66.7    99.9  Allowed    13    11  0.42    14  1.44  molprobity     1  True   
129  129  OUTLIER   -64.1   -28.1  Favored     4     5  0.41     5  0.53  molprobity     1  True   
130  130  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
131  131  ?             ?       ?  ?           5     4  0.26     5  1.96  molprobity     ?  False  
132  132  t          34.1   -70.3  OUTLIER     4     6  0.30     8  1.16  molprobity     1  True   
133  133  t         -53.6   -21.9  Favored     4     6  0.50     8  1.29  molprobity     1  True   
134  134  p         -64.6   -15.6  Favored     5     6  0.36     8  1.08  molprobity     1  True   
135  135  t-20     -106.6   148.6  Favored     6     8  0.35    12  0.65  molprobity     1  True   
136  136  Cg_endo   -75.5    64.1  Favored     7     8  0.62    11  1.17  molprobity     1  True   
137  137  ttp180   -146.0   -24.5  Allowed    13    11  0.37    14  1.00  molprobity     1  True   
138  138  OUTLIER  -106.3    11.7  Favored     4     6  0.19     8  0.88  molprobity     1  True   
139  139  ?         -71.0     8.8  Allowed     5     5  0.43     7  1.06  molprobity     1  True   
140  140  m0        -54.4   -47.2  Favored    10    16  0.93    23  1.64  molprobity     1  True   
141  141  mtm-85   -173.3    72.7  OUTLIER    13    11  0.60    14  1.89  molprobity     1  True   
142  142  t          34.3    56.7  Allowed     4     5  0.12     5  1.65  molprobity     1  True   
143  143  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
144  144  ?             ?       ?  ?           5     4  0.38     5  1.30  molprobity     ?  False  
145  145  t          64.5   -24.1  Allowed     4     6  0.28     8  1.01  molprobity     1  True   
146  146  t         -54.0   -33.8  Favored     4     6  0.43     8  1.22  molprobity     1  True   
147  147  p         -79.1     5.7  Favored     5     6  0.52     8  1.51  molprobity     1  True   
148  148  t-20     -104.8   129.9  Favored     6     8  0.37    12  0.68  molprobity     1  True   
149  149  Cg_endo   -76.3    14.7  Allowed     7     8  0.59    11  1.07  molprobity     1  True   
150  150  ttt180   -105.0   -34.6  Favored    13    11  0.38    14  1.99  molprobity     1  True   
151  151  OUTLIER   -84.1     4.5  Favored     4     6  0.38     8  1.34  molprobity     1  True   
152  152  ?         -66.1     7.8  Allowed     5     5  0.43     7  1.28  molprobity     1  True   
153  153  m0        -74.6   -22.0  Favored    10    16  0.87    23  1.50  molprobity     1  True   
154  154  ttt85    -173.2   171.2  Favored    13    11  0.54    14  0.92  molprobity     1  True   
155  155  OUTLIER  -143.7   155.5  Favored     4     5  0.44     5  1.02  molprobity     1  True   
156  156  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
157  157  ?             ?       ?  ?           5     4  0.40     5  0.79  molprobity     ?  False  
158  158  OUTLIER   -54.5   -41.0  Favored     4     6  0.24     8  0.70  molprobity     1  True   
159  159  t         -64.5   -37.5  Favored     4     6  0.14     8  0.85  molprobity     1  True   
160  160  p         -85.7    -0.8  Favored     5     6  0.36     8  1.09  molprobity     1  True   
161  161  t-20     -105.9   139.2  Favored     6     8  0.40    12  0.67  molprobity     1  True   
162  162  Cg_endo   -75.6    24.2  Allowed     7     8  0.61    11  1.01  molprobity     1  True   
163  163  ttt85    -114.0   -20.6  Favored    13    11  0.35    14  1.09  molprobity     1  True   
164  164  OUTLIER  -141.7    16.1  Favored     4     6  0.29     8  0.88  molprobity     1  True   
165  165  ?         -64.2   -19.3  Favored     5     5  0.34     7  1.11  molprobity     1  True   
166  166  m0        -53.9   -90.2  OUTLIER    10    16  0.90    23  1.65  molprobity     1  True   
167  167  ppt_?     -66.6     8.7  Allowed    13    11  0.37    14  1.31  molprobity     1  True   
168  168  t          50.2    61.1  Favored     4     5  0.21     5  1.32  molprobity     1  True   
169  169  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
170  170  ?             ?       ?  ?           5     4  0.33     5  1.32  molprobity     ?  False  
171  171  OUTLIER    43.9   -81.0  OUTLIER     4     6  0.21     8  1.13  molprobity     1  True   
172  172  OUTLIER   -59.6   -43.9  Favored     4     6  0.14     8  1.18  molprobity     1  True   
173  173  p         -77.5    21.9  Allowed     5     6  0.35     8  1.15  molprobity     1  True   
174  174  t-20     -147.1   143.9  Favored     6     8  0.24    12  0.80  molprobity     1  True   
175  175  Cg_endo   -73.3    19.0  Allowed     7     8  0.64    11  1.04  molprobity     1  True   
176  176  ttt85     -90.8   -68.8  Allowed    13    11  0.43    14  1.36  molprobity     1  True   
177  177  OUTLIER  -105.1    24.2  Favored     4     6  0.20     8  0.80  molprobity     1  True   
178  178  ?         -59.6   -14.7  Favored     5     5  0.20     7  0.82  molprobity     1  True   
179  179  m0        -74.2   -67.5  Allowed    10    16  0.87    23  1.57  molprobity     1  True   
180  180  mtp85     -66.4   168.7  Favored    13    11  0.54    14  1.39  molprobity     1  True   
181  181  t        -159.2    39.4  Allowed     4     5  0.21     5  0.80  molprobity     1  True   
182  182  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
183  183  ?             ?       ?  ?           5     4  0.28     5  0.66  molprobity     ?  False  
184  184  m        -130.4   -50.8  Allowed     4     6  0.17     8  1.42  molprobity     1  True   
185  185  m         -63.0   -40.2  Favored     4     6  0.37     8  1.31  molprobity     1  True   
186  186  p         -82.3    -6.1  Favored     5     6  0.44     8  0.98  molprobity     1  True   
187  187  t-20     -106.7   122.1  Favored     6     8  0.25    12  0.89  molprobity     1  True   
188  188  Cg_endo   -77.7    53.4  Favored     7     8  0.70    11  1.14  molprobity     1  True   
189  189  ttt85    -143.6    13.2  Allowed    13    11  0.44    14  1.58  molprobity     1  True   
190  190  OUTLIER  -140.3    10.4  Favored     4     6  0.25     8  0.79  molprobity     1  True   
191  191  ?         -65.0   -11.0  Favored     5     5  0.28     7  0.66  molprobity     1  True   
192  192  m0        -60.4   -27.3  Favored    10    16  0.93    23  1.81  molprobity     1  True   
193  193  mtt180    163.6   121.0  OUTLIER    13    11  0.55    14  1.14  molprobity     1  True   
194  194  OUTLIER   -85.8    93.1  Favored     4     5  0.33     5  1.92  molprobity     1  True   
195  195  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
196  196  ?             ?       ?  ?           5     4  0.36     5  0.76  molprobity     ?  False  
197  197  t        -136.8   -51.7  Allowed     4     6  0.16     8  0.77  molprobity     1  True   
198  198  OUTLIER   -61.6   -38.1  Favored     4     6  0.13     8  0.93  molprobity     1  True   
199  199  p         -70.2    15.6  Allowed     5     6  0.49     8  1.28  molprobity     1  True   
200  200  t30      -133.7   138.1  Favored     6     8  0.36    12  0.70  molprobity     1  True   
201  201  Cg_endo   -75.1    70.8  Favored     7     8  0.64    11  1.63  molprobity     1  True   
202  202  ttm180   -149.8   -30.1  Allowed    13    11  0.41    14  1.51  molprobity     1  True   
203  203  OUTLIER  -134.4    17.0  Favored     4     6  0.33     8  0.87  molprobity     1  True   
204  204  ?         -68.8    -3.7  Favored     5     5  0.40     7  1.03  molprobity     1  True   
205  205  m0        -64.1   -54.7  Favored    10    16  0.84    23  1.45  molprobity     1  True   
206  206  ttt180   -173.4   138.3  Allowed    13    11  0.46    14  1.03  molprobity     1  True   
207  207  OUTLIER   -66.4   151.3  Favored     4     5  0.31     5  0.95  molprobity     1  True   
208  208  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
209  209  ?             ?       ?  ?           5     4  0.47     5  1.01  molprobity     ?  False  
210  210  OUTLIER   -67.0   -60.1  Favored     4     6  0.14     8  1.00  molprobity     1  True   
211  211  m         -53.7   -38.4  Favored     4     6  0.49     8  0.89  molprobity     1  True   
212  212  OUTLIER   -67.7     0.0  Favored     5     6  0.63     8  1.30  molprobity     1  True   
213  213  t-20     -134.0   125.1  Favored     6     8  0.29    12  0.80  molprobity     1  True   
214  214  Cg_endo   -72.3    11.0  Allowed     7     8  0.61    11  1.20  molprobity     1  True   
215  215  ttp180    -84.1   -16.0  Favored    13    11  0.45    14  1.95  molprobity     1  True   
216  216  OUTLIER  -106.7    16.5  Favored     4     6  0.14     8  0.86  molprobity     1  True   
217  217  ?         -60.9   -42.1  Favored     5     5  0.23     7  0.72  molprobity     1  True   
218  218  m0        -62.6   -37.9  Favored    10    16  0.93    23  1.66  molprobity     1  True   
219  219  tpt180    -66.7  -147.3  OUTLIER    13    11  0.46    14  2.18  molprobity     1  True   
220  220  t          68.1   -55.0  Allowed     4     5  0.37     5  1.16  molprobity     1  True   
221  221  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
222  222  ?             ?       ?  ?           5     4  0.41     5  1.45  molprobity     ?  False  
223  223  OUTLIER    62.1   -30.6  Allowed     4     6  0.25     8  1.18  molprobity     1  True   
224  224  OUTLIER   -62.9    -1.4  Allowed     4     6  0.43     8  0.96  molprobity     1  True   
225  225  p         -85.6     5.4  Favored     5     6  0.51     8  1.02  molprobity     1  True   
226  226  t-20     -139.7   130.0  Favored     6     8  0.40    12  0.86  molprobity     1  True   
227  227  Cg_endo   -81.1    25.5  Allowed     7     8  0.56    11  1.17  molprobity     1  True   
228  228  OUTLIER  -120.1     4.2  Favored    13    11  0.53    14  1.43  molprobity     1  True   
229  229  OUTLIER  -133.5    33.1  Favored     4     6  0.26     8  0.87  molprobity     1  True   
230  230  ?         -48.0   -75.4  OUTLIER     5     5  0.41     7  1.05  molprobity     1  True   
231  231  m0        -76.5    13.0  Allowed    10    16  0.92    23  1.72  molprobity     1  True   
232  232  OUTLIER   -66.8  -151.2  OUTLIER    13    11  0.50    14  1.67  molprobity     1  True   
233  233  OUTLIER    63.5    20.4  Favored     4     5  0.31     5  1.78  molprobity     1  True   
234  234  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
235  235  ?             ?       ?  ?           5     4  0.61     5  1.13  molprobity     ?  False  
236  236  m          60.5   -46.4  Allowed     4     6  0.26     8  1.27  molprobity     1  True   
237  237  m         -53.5   -33.3  Favored     4     6  0.33     8  1.34  molprobity     1  True   
238  238  OUTLIER   -86.3   -12.7  Favored     5     6  0.61     8  1.00  molprobity     1  True   
239  239  t-20     -106.1   119.5  Favored     6     8  0.44    12  0.71  molprobity     1  True   
240  240  Cg_endo   -74.0    55.8  Favored     7     8  0.66    11  1.19  molprobity     1  True   
241  241  ttm180   -146.3   -22.3  Allowed    13    11  0.51    14  1.00  molprobity     1  True   
242  242  OUTLIER  -137.8    15.7  Favored     4     6  0.32     8  1.33  molprobity     1  True   
243  243  ?         -57.0   -17.3  Favored     5     5  0.49     7  1.06  molprobity     1  True   
244  244  m0        -59.6   -53.6  Favored    10    16  0.91    23  1.54  molprobity     1  True   
245  245  mtt180    -66.3  -162.6  OUTLIER    13    11  0.38    14  1.16  molprobity     1  True   
246  246  t          74.1   -46.9  Allowed     4     5  0.40     5  0.88  molprobity     1  True   
247  247  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
248  248  ?             ?       ?  ?           5     4  0.47     5  0.78  molprobity     ?  False  
249  249  OUTLIER  -124.5   -51.7  Allowed     4     6  0.07     8  0.74  molprobity     1  True   
250  250  OUTLIER   -76.1   -42.7  Favored     4     6  0.10     8  1.17  molprobity     1  True   
251  251  p         -73.8    25.4  Allowed     5     6  0.49     8  1.40  molprobity     1  True   
252  252  t-20     -155.6   133.7  Favored     6     8  0.39    12  1.14  molprobity     1  True   
253  253  Cg_endo   -72.8    74.7  Favored     7     8  0.79    11  1.07  molprobity     1  True   
254  254  ttm180   -144.8   -79.7  Allowed    13    11  0.40    14  1.57  molprobity     1  True   
255  255  OUTLIER   -95.1     2.9  Favored     4     6  0.18     8  1.05  molprobity     1  True   
256  256  ?         -58.2   -17.9  Favored     5     5  0.30     7  0.95  molprobity     1  True   
257  257  m0        -54.4   -70.8  Allowed    10    16  0.92    23  1.71  molprobity     1  True   
258  258  mmt85     -66.9    14.8  OUTLIER    13    11  0.48    14  1.40  molprobity     1  True   
259  259  t          56.1   -80.4  OUTLIER     4     5  0.34     5  1.64  molprobity     1  True   
260  260  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
#
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   46  sidechain  0.09  
2  115  sidechain  0.08  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1  ?     
 2  2  ?     
 3  1  ?     
 4  1  ?     
 5  2  True  
 6  1  ?     
 7  2  ?     
 8  3  ?     
 9  1  ?     
10  2  ?     
11  3  True  
12  1  ?     
13  2  ?     
14  1  ?     
15  1  ?     
16  2  ?     
17  1  ?     
18  1  ?     
19  1  True  
20  2  ?     
#
_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                0.640
_pdbx_vrpt_cyrange_domain.medoid_model        13
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.965
_pdbx_vrpt_cyrange_domain.residue_string      A:2-A:12
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           3
_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           74
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           74
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            74
_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  CYS   2  0.125  
 2  A  CYS   3  0.105  
 3  A  SER   4  0.098  
 4  A  ASN   5  0.110  
 5  A  PRO   6  0.155  
 6  A  ARG   7  0.175  
 7  A  CYS   8  0.189  
 8  A  ALA   9  0.197  
 9  A  TRP  10  0.224  
10  A  ARG  11  0.251  
11  A  CYS  12  0.265  
#
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  70  69  139  overall    Total  
 2  21  32   53  backbone   Total  
 3  43  31   74  sidechain  Total  
 4   6   6   12  aromatic   Total  
 5  70   4   74  overall    H      
 6  21   0   21  backbone   H      
 7  43   4   47  sidechain  H      
 8   6   0    6  aromatic   H      
 9   0  47   47  overall    C      
10   0  22   22  backbone   C      
11   0  20   20  sidechain  C      
12   0   5    5  aromatic   C      
13   0  18   18  overall    N      
14   0  10   10  backbone   N      
15   0   7    7  sidechain  N      
16   0   1    1  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  72  73  145  overall    Total  
 2  23  36   59  backbone   Total  
 3  43  31   74  sidechain  Total  
 4   6   6   12  aromatic   Total  
 5  72   5   77  overall    H      
 6  23   1   24  backbone   H      
 7  43   4   47  sidechain  H      
 8   6   0    6  aromatic   H      
 9   0  49   49  overall    C      
10   0  24   24  backbone   C      
11   0  20   20  sidechain  C      
12   0   5    5  aromatic   C      
13   0  19   19  overall    N      
14   0  11   11  backbone   N      
15   0   7    7  sidechain  N      
16   0   1    1  aromatic   N      
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     52  
 2  "Intra-residue (|i-j|=0)"                       24  
 3  "Sequential (|i-j|=1)"                          22  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             3  
 5  "Long range (|i-j|>=5)"                          3  
 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"             4.0  
12  "Number of long range restraints per residue"  0.2  
#
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                 24   46.2  0  0.0  0.0  0  0.0  0.0  
 2  Intra-residue  BackboneBackbone     2    3.8  0  0.0  0.0  0  0.0  0.0  
 3  Intra-residue  BackboneSidechain   15   28.8  0  0.0  0.0  0  0.0  0.0  
 4  Intra-residue  SidechainSidechain   7   13.5  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                 22   42.3  0  0.0  0.0  1  1.9  4.5  
 6  Sequential     BackboneBackbone    15   28.8  0  0.0  0.0  1  1.9  6.7  
 7  Sequential     BackboneSidechain    5    9.6  0  0.0  0.0  0  0.0  0.0  
 8  Sequential     SidechainSidechain   2    3.8  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                  3    5.8  0  0.0  0.0  0  0.0  0.0  
10  MediumRange    BackboneBackbone     1    1.9  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain    2    3.8  0  0.0  0.0  0  0.0  0.0  
12  MediumRange    SidechainSidechain   0    0.0  0  0.0  0.0  0  0.0  0.0  
13  LongRange      all                  3    5.8  0  0.0  0.0  0  0.0  0.0  
14  LongRange      BackboneBackbone     2    3.8  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
16  LongRange      SidechainSidechain   1    1.9  0  0.0  0.0  0  0.0  0.0  
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                 52  100.0  0  0.0  0.0  1  1.9  1.9  
24  Total          BackboneBackbone    20   38.5  0  0.0  0.0  1  1.9  5.0  
25  Total          BackboneSidechain   22   42.3  0  0.0  0.0  0  0.0  0.0  
26  Total          SidechainSidechain  10   19.2  0  0.0  0.0  0  0.0  0.0  
#
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  0.00  0.00  0.00  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  0.00  0.00  0.00  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.11  0.11  0.11  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.11  0.11  0.11  0.00  
10  10  0.00  0.00  0.00  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  0.00  0.00  0.00  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.00  0.00  0.00  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  0.00  0.00  0.00  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  0.00  0.00  0.00  0.00  
20  20  0.00  0.00  0.00  0.00  
#
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  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    1  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         1  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    1  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         1  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
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    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
  1   1  intraresidue  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    1  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         1  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
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  0.1   0.1   
2  0.2-0.5  None  None  
3  >0.5     None  None  
#
_pdbx_vrpt_most_violated_distance_restraints.ordinal                  1
_pdbx_vrpt_most_violated_distance_restraints.rest_id                  19
_pdbx_vrpt_most_violated_distance_restraints.rlist_id                 1
_pdbx_vrpt_most_violated_distance_restraints.altcode_1                .
_pdbx_vrpt_most_violated_distance_restraints.chain_1                  A
_pdbx_vrpt_most_violated_distance_restraints.resnum_1                 6
_pdbx_vrpt_most_violated_distance_restraints.resname_1                PRO
_pdbx_vrpt_most_violated_distance_restraints.icode_1                  ?
_pdbx_vrpt_most_violated_distance_restraints.ent_1                    1
_pdbx_vrpt_most_violated_distance_restraints.said_1                   A
_pdbx_vrpt_most_violated_distance_restraints.seq_1                    6
_pdbx_vrpt_most_violated_distance_restraints.atom_1                   HA
_pdbx_vrpt_most_violated_distance_restraints.chain_2                  A
_pdbx_vrpt_most_violated_distance_restraints.altcode_2                .
_pdbx_vrpt_most_violated_distance_restraints.resnum_2                 7
_pdbx_vrpt_most_violated_distance_restraints.resname_2                ARG
_pdbx_vrpt_most_violated_distance_restraints.seq_2                    7
_pdbx_vrpt_most_violated_distance_restraints.said_2                   A
_pdbx_vrpt_most_violated_distance_restraints.ent_2                    1
_pdbx_vrpt_most_violated_distance_restraints.icode_2                  ?
_pdbx_vrpt_most_violated_distance_restraints.atom_2                   H
_pdbx_vrpt_most_violated_distance_restraints.violated_models          2
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation  0.11
_pdbx_vrpt_most_violated_distance_restraints.median_violation         0.11
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation       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  19  1   84   85  HA  H  0.11  
2  19  1  110  111  HA  H  0.11  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity             4.02b-467                                                             Y  
2  mogul                  unknown                                                               Y  
3  coreclust              2.33                                                                  Y  
4  chemicalshiftanalysis  2.33                                                                  Y  
5  panav                  "Wang et al. (2010)"                                                  Y  
6  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
7  restraintsanalysis     v1.2                                                                  Y  
8  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
