data_6BET

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   6BET   
BMRB  30362  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    6BET
_pdbx_vrpt_summary.PDB_deposition_date         2017-10-25
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-03:15:06
_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  H(DPR)(DVA)CIP(DPR)E(DLY)VC(DGL)
#
_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   12.65  154571  ?     ?     
4  2  2   55.95   11451  ?     ?     
5  1  3   68.15  154315  ?     ?     
6  2  3   95.18   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  100.00  
 4  6  3  A   1  1  A  100.00  
 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  100.00  
 8  6  3  A   2  1  A  100.00  
 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  100.00  
12  6  3  A   3  1  A  100.00  
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  100.00  
16  6  3  A   4  1  A  100.00  
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  100.00  
20  6  3  A   5  1  A  100.00  
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  100.00  
24  6  3  A   6  1  A  100.00  
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  100.00  
28  6  3  A   7  1  A  100.00  
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  100.00  
32  6  3  A   8  1  A  100.00  
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    3.02  
36  6  3  A   9  1  A    3.02  
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  100.00  
40  6  3  A  10  1  A  100.00  
41  3  2  A  11  1  A  100.00  
42  4  2  A  11  1  A  100.00  
43  5  3  A  11  1  A  100.00  
44  6  3  A  11  1  A  100.00  
45  3  2  A  12  1  A    0.10  
46  4  2  A  12  1  A    0.10  
47  5  3  A  12  1  A  100.00  
48  6  3  A  12  1  A  100.00  
49  3  2  A  13  1  A  100.00  
50  4  2  A  13  1  A  100.00  
51  5  3  A  13  1  A  100.00  
52  6  3  A  13  1  A  100.00  
53  3  2  A  14  1  A    0.10  
54  4  2  A  14  1  A    0.10  
55  5  3  A  14  1  A  100.00  
56  6  3  A  14  1  A  100.00  
57  3  2  A  15  1  A  100.00  
58  4  2  A  15  1  A  100.00  
59  5  3  A  15  1  A  100.00  
60  6  3  A  15  1  A  100.00  
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  100.00  
64  6  3  A  16  1  A  100.00  
65  3  2  A  17  1  A  100.00  
66  4  2  A  17  1  A  100.00  
67  5  3  A  17  1  A  100.00  
68  6  3  A  17  1  A  100.00  
69  3  2  A  18  1  A  100.00  
70  4  2  A  18  1  A  100.00  
71  5  3  A  18  1  A    3.02  
72  6  3  A  18  1  A    3.02  
73  3  2  A  19  1  A  100.00  
74  4  2  A  19  1  A  100.00  
75  5  3  A  19  1  A  100.00  
76  6  3  A  19  1  A  100.00  
77  3  2  A  20  1  A  100.00  
78  4  2  A  20  1  A  100.00  
79  5  3  A  20  1  A  100.00  
80  6  3  A  20  1  A  100.00  
#
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  1.95  0.48  51  64  
 2   2  1  A  A  1.46  0.47  51  64  
 3   3  1  A  A  1.60  0.50  51  64  
 4   4  1  A  A  1.71  0.52  51  64  
 5   5  1  A  A  1.56  0.51  51  64  
 6   6  1  A  A  1.41  0.48  51  64  
 7   7  1  A  A  1.70  0.52  51  64  
 8   8  1  A  A  1.66  0.52  51  64  
 9   9  1  A  A  1.87  0.49  51  64  
10  10  1  A  A  1.47  0.47  51  64  
11  11  1  A  A  1.70  0.56  51  64  
12  12  1  A  A  1.25  0.51  51  64  
13  13  1  A  A  1.74  0.47  51  64  
14  14  1  A  A  1.96  0.51  51  64  
15  15  1  A  A  1.76  0.50  51  64  
16  16  1  A  A  1.52  0.51  51  64  
17  17  1  A  A  1.36  0.54  51  64  
18  18  1  A  A  1.89  0.52  51  64  
19  19  1  A  A  1.69  0.49  51  64  
20  20  1  A  A  1.56  0.51  51  64  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              1.67
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  1.67
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   1.43
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       1.43
_pdbx_vrpt_summary_geometry.clashscore_full_length                     0.00
_pdbx_vrpt_summary_geometry.num_H_reduce                               1720
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             1020
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.50
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            1280
_pdbx_vrpt_summary_geometry.angles_RMSZ                                1.65
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              57.30
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  57.30
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_angle_outliers
_pdbx_vrpt_model_instance.count_plane_outliers
  1   1  1  A   1  HIS  A   1  .  ?        ?     ?  
  2   1  1  A   2  DPR  A   2  .  ?        ?     ?  
  3   1  1  A   3  DVA  A   3  .  ?        ?     ?  
  4   1  1  A   4  CYS  A   4  .  ?        ?     ?  
  5   1  1  A   5  ILE  A   5  .  ?        ?     ?  
  6   1  1  A   6  PRO  A   6  .  ?        1     ?  
  7   1  1  A   7  DPR  A   7  .  ?        ?     ?  
  8   1  1  A   8  GLU  A   8  .  ?        ?     ?  
  9   1  1  A   9  DLY  A   9  .  ?        ?     ?  
 10   1  1  A  10  VAL  A  10  .  ?        1     ?  
 11   1  1  A  11  CYS  A  11  .  ?        ?     ?  
 12   1  1  A  12  DGL  A  12  .  ?        ?     ?  
 13   2  1  A   1  HIS  A   1  .  ?        ?     ?  
 14   2  1  A   2  DPR  A   2  .  ?        ?     ?  
 15   2  1  A   3  DVA  A   3  .  ?        ?     ?  
 16   2  1  A   4  CYS  A   4  .  ?        ?     ?  
 17   2  1  A   5  ILE  A   5  .  ?        ?     ?  
 18   2  1  A   6  PRO  A   6  .  ?        ?     ?  
 19   2  1  A   7  DPR  A   7  .  ?        ?     ?  
 20   2  1  A   8  GLU  A   8  .  ?        ?     ?  
 21   2  1  A   9  DLY  A   9  .  ?        ?     ?  
 22   2  1  A  10  VAL  A  10  .  ?        ?     ?  
 23   2  1  A  11  CYS  A  11  .  ?        ?     ?  
 24   2  1  A  12  DGL  A  12  .  ?        ?     ?  
 25   3  1  A   1  HIS  A   1  .  ?        ?     ?  
 26   3  1  A   2  DPR  A   2  .  ?        ?     ?  
 27   3  1  A   3  DVA  A   3  .  ?        ?     ?  
 28   3  1  A   4  CYS  A   4  .  ?        ?     ?  
 29   3  1  A   5  ILE  A   5  .  ?        ?     ?  
 30   3  1  A   6  PRO  A   6  .  ?        ?     ?  
 31   3  1  A   7  DPR  A   7  .  ?        ?     ?  
 32   3  1  A   8  GLU  A   8  .  ?        ?     ?  
 33   3  1  A   9  DLY  A   9  .  ?        ?     ?  
 34   3  1  A  10  VAL  A  10  .  ?        ?     ?  
 35   3  1  A  11  CYS  A  11  .  ?        ?     ?  
 36   3  1  A  12  DGL  A  12  .  ?        ?     ?  
 37   4  1  A   1  HIS  A   1  .  ?        ?     ?  
 38   4  1  A   2  DPR  A   2  .  ?        ?     ?  
 39   4  1  A   3  DVA  A   3  .  ?        ?     ?  
 40   4  1  A   4  CYS  A   4  .  ?        ?     ?  
 41   4  1  A   5  ILE  A   5  .  ?        ?     ?  
 42   4  1  A   6  PRO  A   6  .  ?        1     ?  
 43   4  1  A   7  DPR  A   7  .  ?        ?     ?  
 44   4  1  A   8  GLU  A   8  .  ?        ?     ?  
 45   4  1  A   9  DLY  A   9  .  ?        ?     ?  
 46   4  1  A  10  VAL  A  10  .  ?        ?     ?  
 47   4  1  A  11  CYS  A  11  .  ?        ?     ?  
 48   4  1  A  12  DGL  A  12  .  ?        ?     ?  
 49   5  1  A   1  HIS  A   1  .  ?        ?     ?  
 50   5  1  A   2  DPR  A   2  .  ?        ?     ?  
 51   5  1  A   3  DVA  A   3  .  ?        ?     ?  
 52   5  1  A   4  CYS  A   4  .  ?        ?     ?  
 53   5  1  A   5  ILE  A   5  .  ?        ?     ?  
 54   5  1  A   6  PRO  A   6  .  ?        ?     ?  
 55   5  1  A   7  DPR  A   7  .  ?        ?     ?  
 56   5  1  A   8  GLU  A   8  .  ?        ?     ?  
 57   5  1  A   9  DLY  A   9  .  ?        ?     ?  
 58   5  1  A  10  VAL  A  10  .  ?        ?     ?  
 59   5  1  A  11  CYS  A  11  .  ?        ?     ?  
 60   5  1  A  12  DGL  A  12  .  ?        ?     ?  
 61   6  1  A   1  HIS  A   1  .  ?        ?     ?  
 62   6  1  A   2  DPR  A   2  .  ?        ?     ?  
 63   6  1  A   3  DVA  A   3  .  ?        ?     ?  
 64   6  1  A   4  CYS  A   4  .  ?        ?     ?  
 65   6  1  A   5  ILE  A   5  .  ?        ?     ?  
 66   6  1  A   6  PRO  A   6  .  ?        ?     ?  
 67   6  1  A   7  DPR  A   7  .  ?        ?     ?  
 68   6  1  A   8  GLU  A   8  .  ?        ?     ?  
 69   6  1  A   9  DLY  A   9  .  ?        ?     ?  
 70   6  1  A  10  VAL  A  10  .  ?        ?     ?  
 71   6  1  A  11  CYS  A  11  .  ?        ?     ?  
 72   6  1  A  12  DGL  A  12  .  ?        ?     ?  
 73   7  1  A   1  HIS  A   1  .  ?        ?     ?  
 74   7  1  A   2  DPR  A   2  .  ?        ?     ?  
 75   7  1  A   3  DVA  A   3  .  ?        ?     ?  
 76   7  1  A   4  CYS  A   4  .  ?        1     ?  
 77   7  1  A   5  ILE  A   5  .  ?        ?     ?  
 78   7  1  A   6  PRO  A   6  .  ?        ?     ?  
 79   7  1  A   7  DPR  A   7  .  ?        ?     ?  
 80   7  1  A   8  GLU  A   8  .  ?        ?     ?  
 81   7  1  A   9  DLY  A   9  .  ?        ?     ?  
 82   7  1  A  10  VAL  A  10  .  ?        ?     ?  
 83   7  1  A  11  CYS  A  11  .  ?        ?     ?  
 84   7  1  A  12  DGL  A  12  .  ?        ?     ?  
 85   8  1  A   1  HIS  A   1  .  ?        ?     ?  
 86   8  1  A   2  DPR  A   2  .  ?        ?     ?  
 87   8  1  A   3  DVA  A   3  .  ?        ?     ?  
 88   8  1  A   4  CYS  A   4  .  ?        ?     ?  
 89   8  1  A   5  ILE  A   5  .  ?        ?     ?  
 90   8  1  A   6  PRO  A   6  .  ?        ?     ?  
 91   8  1  A   7  DPR  A   7  .  ?        ?     ?  
 92   8  1  A   8  GLU  A   8  .  ?        ?     ?  
 93   8  1  A   9  DLY  A   9  .  ?        ?     ?  
 94   8  1  A  10  VAL  A  10  .  ?        ?     ?  
 95   8  1  A  11  CYS  A  11  .  ?        ?     ?  
 96   8  1  A  12  DGL  A  12  .  ?        ?     ?  
 97   9  1  A   1  HIS  A   1  .  ?        ?     ?  
 98   9  1  A   2  DPR  A   2  .  ?        ?     ?  
 99   9  1  A   3  DVA  A   3  .  ?        ?     ?  
100   9  1  A   4  CYS  A   4  .  ?        ?     ?  
101   9  1  A   5  ILE  A   5  .  ?        ?     ?  
102   9  1  A   6  PRO  A   6  .  ?        1     ?  
103   9  1  A   7  DPR  A   7  .  ?        ?     ?  
104   9  1  A   8  GLU  A   8  .  ?        ?     ?  
105   9  1  A   9  DLY  A   9  .  ?        ?     ?  
106   9  1  A  10  VAL  A  10  .  ?        ?     ?  
107   9  1  A  11  CYS  A  11  .  ?        ?     ?  
108   9  1  A  12  DGL  A  12  .  ?        ?     ?  
109  10  1  A   1  HIS  A   1  .  ?        ?     ?  
110  10  1  A   2  DPR  A   2  .  ?        ?     ?  
111  10  1  A   3  DVA  A   3  .  ?        ?     ?  
112  10  1  A   4  CYS  A   4  .  ?        ?     ?  
113  10  1  A   5  ILE  A   5  .  ?        ?     ?  
114  10  1  A   6  PRO  A   6  .  ?        ?     ?  
115  10  1  A   7  DPR  A   7  .  ?        ?     ?  
116  10  1  A   8  GLU  A   8  .  ?        ?     ?  
117  10  1  A   9  DLY  A   9  .  ?        ?     ?  
118  10  1  A  10  VAL  A  10  .  ?        ?     ?  
119  10  1  A  11  CYS  A  11  .  ?        ?     ?  
120  10  1  A  12  DGL  A  12  .  ?        ?     ?  
121  11  1  A   1  HIS  A   1  .  ?        ?     ?  
122  11  1  A   2  DPR  A   2  .  ?        ?     ?  
123  11  1  A   3  DVA  A   3  .  ?        ?     ?  
124  11  1  A   4  CYS  A   4  .  ?        ?     ?  
125  11  1  A   5  ILE  A   5  .  ?        ?     ?  
126  11  1  A   6  PRO  A   6  .  ?        1     ?  
127  11  1  A   7  DPR  A   7  .  ?        ?     ?  
128  11  1  A   8  GLU  A   8  .  ?        ?     ?  
129  11  1  A   9  DLY  A   9  .  ?        ?     ?  
130  11  1  A  10  VAL  A  10  .  ?        ?     ?  
131  11  1  A  11  CYS  A  11  .  ?        ?     ?  
132  11  1  A  12  DGL  A  12  .  ?        ?     ?  
133  12  1  A   1  HIS  A   1  .  ?        ?     ?  
134  12  1  A   2  DPR  A   2  .  ?        ?     ?  
135  12  1  A   3  DVA  A   3  .  ?        ?     ?  
136  12  1  A   4  CYS  A   4  .  ?        ?     ?  
137  12  1  A   5  ILE  A   5  .  ?        ?     ?  
138  12  1  A   6  PRO  A   6  .  ?        ?     ?  
139  12  1  A   7  DPR  A   7  .  ?        ?     ?  
140  12  1  A   8  GLU  A   8  .  ?        ?     ?  
141  12  1  A   9  DLY  A   9  .  ?        ?     ?  
142  12  1  A  10  VAL  A  10  .  ?        ?     ?  
143  12  1  A  11  CYS  A  11  .  ?        ?     ?  
144  12  1  A  12  DGL  A  12  .  ?        ?     ?  
145  13  1  A   1  HIS  A   1  .  ?        ?     ?  
146  13  1  A   2  DPR  A   2  .  ?        ?     ?  
147  13  1  A   3  DVA  A   3  .  ?        ?     ?  
148  13  1  A   4  CYS  A   4  .  ?        ?     ?  
149  13  1  A   5  ILE  A   5  .  ?        ?     ?  
150  13  1  A   6  PRO  A   6  .  ?        ?     ?  
151  13  1  A   7  DPR  A   7  .  ?        ?     ?  
152  13  1  A   8  GLU  A   8  .  ?        ?     ?  
153  13  1  A   9  DLY  A   9  .  ?        ?     ?  
154  13  1  A  10  VAL  A  10  .  ?        ?     ?  
155  13  1  A  11  CYS  A  11  .  ?        ?     ?  
156  13  1  A  12  DGL  A  12  .  ?        ?     ?  
157  14  1  A   1  HIS  A   1  .  ?        ?     ?  
158  14  1  A   2  DPR  A   2  .  ?        ?     ?  
159  14  1  A   3  DVA  A   3  .  ?        ?     ?  
160  14  1  A   4  CYS  A   4  .  ?        ?     ?  
161  14  1  A   5  ILE  A   5  .  ?        ?     ?  
162  14  1  A   6  PRO  A   6  .  ?        ?     ?  
163  14  1  A   7  DPR  A   7  .  ?        ?     ?  
164  14  1  A   8  GLU  A   8  .  ?        ?     ?  
165  14  1  A   9  DLY  A   9  .  ?        ?     ?  
166  14  1  A  10  VAL  A  10  .  ?        2     ?  
167  14  1  A  11  CYS  A  11  .  ?        ?     ?  
168  14  1  A  12  DGL  A  12  .  ?        ?     ?  
169  15  1  A   1  HIS  A   1  .  ?        ?     ?  
170  15  1  A   2  DPR  A   2  .  ?        ?     ?  
171  15  1  A   3  DVA  A   3  .  ?        ?     ?  
172  15  1  A   4  CYS  A   4  .  ?        ?     ?  
173  15  1  A   5  ILE  A   5  .  ?        ?     ?  
174  15  1  A   6  PRO  A   6  .  ?        1     ?  
175  15  1  A   7  DPR  A   7  .  ?        ?     ?  
176  15  1  A   8  GLU  A   8  .  ?        ?     ?  
177  15  1  A   9  DLY  A   9  .  ?        ?     ?  
178  15  1  A  10  VAL  A  10  .  ?        1     ?  
179  15  1  A  11  CYS  A  11  .  ?        ?     ?  
180  15  1  A  12  DGL  A  12  .  ?        ?     ?  
181  16  1  A   1  HIS  A   1  .  ?        ?     ?  
182  16  1  A   2  DPR  A   2  .  ?        ?     ?  
183  16  1  A   3  DVA  A   3  .  ?        ?     ?  
184  16  1  A   4  CYS  A   4  .  ?        ?     ?  
185  16  1  A   5  ILE  A   5  .  ?        ?     ?  
186  16  1  A   6  PRO  A   6  .  ?        ?     ?  
187  16  1  A   7  DPR  A   7  .  ?        ?     ?  
188  16  1  A   8  GLU  A   8  .  ?        ?     ?  
189  16  1  A   9  DLY  A   9  .  ?        ?     ?  
190  16  1  A  10  VAL  A  10  .  ?        ?     ?  
191  16  1  A  11  CYS  A  11  .  ?        ?     ?  
192  16  1  A  12  DGL  A  12  .  ?        ?     ?  
193  17  1  A   1  HIS  A   1  .  ?        ?     ?  
194  17  1  A   2  DPR  A   2  .  ?        ?     ?  
195  17  1  A   3  DVA  A   3  .  ?        ?     ?  
196  17  1  A   4  CYS  A   4  .  ?        ?     ?  
197  17  1  A   5  ILE  A   5  .  ?        ?     ?  
198  17  1  A   6  PRO  A   6  .  ?        ?     ?  
199  17  1  A   7  DPR  A   7  .  ?        ?     ?  
200  17  1  A   8  GLU  A   8  .  ?        ?     ?  
201  17  1  A   9  DLY  A   9  .  ?        ?     ?  
202  17  1  A  10  VAL  A  10  .  ?        ?     ?  
203  17  1  A  11  CYS  A  11  .  ?        ?     ?  
204  17  1  A  12  DGL  A  12  .  ?        ?     ?  
205  18  1  A   1  HIS  A   1  .  ?        ?     ?  
206  18  1  A   2  DPR  A   2  .  ?        ?     ?  
207  18  1  A   3  DVA  A   3  .  ?        ?     ?  
208  18  1  A   4  CYS  A   4  .  ?        ?     ?  
209  18  1  A   5  ILE  A   5  .  ?        ?     ?  
210  18  1  A   6  PRO  A   6  .  ?        ?     ?  
211  18  1  A   7  DPR  A   7  .  ?        ?     ?  
212  18  1  A   8  GLU  A   8  .  ?        1     ?  
213  18  1  A   9  DLY  A   9  .  ?        ?     ?  
214  18  1  A  10  VAL  A  10  .  ?        ?     ?  
215  18  1  A  11  CYS  A  11  .  ?        ?     ?  
216  18  1  A  12  DGL  A  12  .  ?        ?     ?  
217  19  1  A   1  HIS  A   1  .  ?        ?     ?  
218  19  1  A   2  DPR  A   2  .  ?        ?     ?  
219  19  1  A   3  DVA  A   3  .  ?        ?     ?  
220  19  1  A   4  CYS  A   4  .  ?        ?     ?  
221  19  1  A   5  ILE  A   5  .  ?        ?     ?  
222  19  1  A   6  PRO  A   6  .  ?        ?     ?  
223  19  1  A   7  DPR  A   7  .  ?        ?     ?  
224  19  1  A   8  GLU  A   8  .  ?        ?     1  
225  19  1  A   9  DLY  A   9  .  ?        ?     ?  
226  19  1  A  10  VAL  A  10  .  ?        ?     ?  
227  19  1  A  11  CYS  A  11  .  ?        ?     ?  
228  19  1  A  12  DGL  A  12  .  ?        ?     ?  
229  20  1  A   1  HIS  A   1  .  ?        ?     ?  
230  20  1  A   2  DPR  A   2  .  ?        ?     ?  
231  20  1  A   3  DVA  A   3  .  ?        ?     ?  
232  20  1  A   4  CYS  A   4  .  ?        ?     ?  
233  20  1  A   5  ILE  A   5  .  ?        1     ?  
234  20  1  A   6  PRO  A   6  .  ?        ?     ?  
235  20  1  A   7  DPR  A   7  .  ?        ?     ?  
236  20  1  A   8  GLU  A   8  .  ?        ?     ?  
237  20  1  A   9  DLY  A   9  .  ?        ?     ?  
238  20  1  A  10  VAL  A  10  .  ?        ?     ?  
239  20  1  A  11  CYS  A  11  .  ?        ?     ?  
240  20  1  A  12  DGL  A  12  .  ?        ?     ?  
#
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
  1    1  t-80          ?       ?  ?         6    10  0.40    12  2.33  molprobity  
  2    2  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
  3    3  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
  4    4  t        -144.4   144.9  Favored   4     6  0.36     8  1.64  molprobity  
  5    5  mm       -115.8   109.3  Favored  11     8  0.39    12  0.95  molprobity  
  6    6  Cg_endo   -73.9   162.8  Favored   7     7  0.90     8  2.57  molprobity  
  7    7  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
  8    8  tt0       -73.8    97.6  Favored   6     8  0.37     9  2.21  molprobity  
  9    9  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
 10   10  m        -134.3   156.9  Favored   9     7  0.40    10  2.07  molprobity  
 11   11  m        -103.8   141.8  Favored   4     5  0.29     5  1.04  molprobity  
 12   12  ?             ?       ?  ?         6     ?     ?     ?     ?  ?           
 13   13  t-80          ?       ?  ?         6    10  0.42    12  1.16  molprobity  
 14   14  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 15   15  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
 16   16  t        -128.3  -173.9  Favored   4     6  0.34     8  1.17  molprobity  
 17   17  mm       -139.6   130.9  Favored  11     8  0.48    12  1.58  molprobity  
 18   18  Cg_endo   -78.0   153.3  Favored   7     7  0.84     8  1.96  molprobity  
 19   19  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 20   20  tt0       -76.8   104.3  Favored   6     8  0.27     9  1.37  molprobity  
 21   21  ?             ?       ?  ?        12     ?     ?     ?     ?  ?           
 22   22  m        -131.4   155.0  Favored   9     7  0.38    10  1.28  molprobity  
 23   23  m         -93.1   150.4  Favored   4     5  0.29     5  1.78  molprobity  
 24   24  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
 25   25  t-80          ?       ?  ?         6    10  0.56    12  0.76  molprobity  
 26   26  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 27   27  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
 28   28  t        -143.5   134.4  Favored   4     6  0.23     8  1.41  molprobity  
 29   29  mm        -88.7   119.9  Favored  11     8  0.44    12  2.02  molprobity  
 30   30  Cg_exo    -67.2   152.1  Favored   7     7  0.90     8  1.33  molprobity  
 31   31  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 32   32  tt0       -75.2   101.3  Favored   6     8  0.33     9  1.00  molprobity  
 33   33  ?             ?       ?  ?        12     ?     ?     ?     ?  ?           
 34   34  m        -153.4   152.2  Favored   9     7  0.35    10  2.03  molprobity  
 35   35  m         -97.6   156.4  Favored   4     5  0.27     5  2.39  molprobity  
 36   36  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
 37   37  t-80          ?       ?  ?         6    10  0.54    12  1.07  molprobity  
 38   38  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 39   39  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
 40   40  t        -147.3   135.5  Favored   4     6  0.21     8  1.62  molprobity  
 41   41  mm        -96.6   113.3  Favored  11     8  0.47    12  1.78  molprobity  
 42   42  Cg_endo   -64.8   154.9  Favored   7     7  0.88     8  2.88  molprobity  
 43   43  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 44   44  tt0       -85.0    84.4  Favored   6     8  0.48     9  1.25  molprobity  
 45   45  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
 46   46  m        -136.1   159.2  Favored   9     7  0.46    10  1.27  molprobity  
 47   47  m         -86.6   148.2  Favored   4     5  0.21     5  1.87  molprobity  
 48   48  ?             ?       ?  ?         6     ?     ?     ?     ?  ?           
 49   49  m-70          ?       ?  ?         7    10  0.50    12  1.61  molprobity  
 50   50  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 51   51  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
 52   52  t        -150.4   147.6  Favored   4     6  0.30     8  0.98  molprobity  
 53   53  mm       -118.2   101.4  Favored  11     8  0.37    12  1.50  molprobity  
 54   54  Cg_exo    -62.1   172.4  Favored   7     7  0.94     8  1.33  molprobity  
 55   55  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 56   56  pt-20    -164.2   142.8  Favored   6     8  0.33     9  1.52  molprobity  
 57   57  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
 58   58  m         -60.4   155.5  Favored   9     7  0.46    10  2.03  molprobity  
 59   59  t        -161.4   139.4  Favored   4     5  0.35     5  1.65  molprobity  
 60   60  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
 61   61  m-70          ?       ?  ?         7    10  0.51    12  1.04  molprobity  
 62   62  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 63   63  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
 64   64  t        -141.0   137.3  Favored   4     6  0.39     8  1.50  molprobity  
 65   65  mm       -107.8   112.3  Favored  11     8  0.37    12  1.36  molprobity  
 66   66  Cg_exo    -61.9   156.8  Favored   7     7  0.74     8  1.75  molprobity  
 67   67  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 68   68  pt-20    -158.8   135.2  Favored   6     8  0.45     9  1.69  molprobity  
 69   69  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
 70   70  m         -76.8   134.6  Favored   9     7  0.40    10  1.40  molprobity  
 71   71  t        -147.8   138.8  Favored   4     5  0.32     5  0.87  molprobity  
 72   72  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
 73   73  m-70          ?       ?  ?         6    10  0.48    12  1.43  molprobity  
 74   74  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 75   75  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
 76   76  t        -152.1   127.5  Favored   4     6  0.46     8  2.56  molprobity  
 77   77  mm       -125.0   104.8  Favored  11     8  0.51    12  1.61  molprobity  
 78   78  Cg_endo   -78.1   163.0  Favored   7     7  0.79     8  1.00  molprobity  
 79   79  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 80   80  mt-10     -67.0   104.4  Allowed   6     8  0.47     9  0.96  molprobity  
 81   81  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
 82   82  m        -126.0   147.5  Favored   9     7  0.39    10  1.91  molprobity  
 83   83  t        -129.0   157.0  Favored   4     5  0.42     5  2.20  molprobity  
 84   84  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
 85   85  m-70          ?       ?  ?         7    10  0.56    12  1.80  molprobity  
 86   86  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 87   87  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
 88   88  t        -148.4   148.5  Favored   4     6  0.27     8  1.73  molprobity  
 89   89  mt       -119.1    98.0  Favored  11     8  0.36    12  1.17  molprobity  
 90   90  Cg_endo   -72.0   153.5  Favored   7     7  0.92     8  1.43  molprobity  
 91   91  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 92   92  tt0      -151.6   141.7  Favored   6     8  0.40     9  2.26  molprobity  
 93   93  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
 94   94  m        -100.9   159.5  Favored   9     7  0.45    10  1.76  molprobity  
 95   95  t        -156.6   121.3  Favored   4     5  0.34     5  0.88  molprobity  
 96   96  ?             ?       ?  ?         6     ?     ?     ?     ?  ?           
 97   97  m80           ?       ?  ?         7    10  0.57    12  1.62  molprobity  
 98   98  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
 99   99  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
100  100  OUTLIER  -138.2   143.4  Favored   4     6  0.31     8  1.34  molprobity  
101  101  mt       -118.2    94.5  Favored  11     8  0.38    12  1.37  molprobity  
102  102  Cg_exo    -62.0   145.6  Favored   7     7  0.82     8  2.61  molprobity  
103  103  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
104  104  tt0       -84.8   117.5  Favored   6     8  0.42     9  2.16  molprobity  
105  105  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
106  106  m        -133.3   140.1  Favored   9     7  0.37    10  2.13  molprobity  
107  107  t        -132.1   166.1  Favored   4     5  0.15     5  1.68  molprobity  
108  108  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
109  109  t60           ?       ?  ?         6    10  0.46    12  1.04  molprobity  
110  110  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
111  111  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
112  112  t        -170.8   144.5  Favored   4     6  0.34     8  1.49  molprobity  
113  113  mt       -126.8    76.6  Favored  11     8  0.35    12  1.09  molprobity  
114  114  Cg_endo   -68.3   123.3  Favored   7     7  0.84     8  1.14  molprobity  
115  115  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
116  116  mt-10    -130.8    14.9  Favored   6     8  0.39     9  1.80  molprobity  
117  117  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
118  118  m         -58.6   134.2  Favored   9     7  0.34    10  1.85  molprobity  
119  119  t        -142.8   149.5  Favored   4     5  0.27     5  1.98  molprobity  
120  120  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
121  121  t60           ?       ?  ?         6    10  0.61    12  1.24  molprobity  
122  122  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
123  123  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
124  124  t        -150.2   108.6  Favored   4     6  0.20     8  1.56  molprobity  
125  125  mt        -91.9   119.5  Favored  11     8  0.37    12  1.33  molprobity  
126  126  Cg_exo    -75.3   157.6  Favored   7     7  0.96     8  2.40  molprobity  
127  127  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
128  128  tt0       -64.8   112.3  Favored   6     8  0.49     9  1.77  molprobity  
129  129  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
130  130  t        -129.9   147.8  Favored   9     7  0.50    10  1.55  molprobity  
131  131  t        -131.9   132.7  Favored   4     5  0.41     5  2.36  molprobity  
132  132  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
133  133  t60           ?       ?  ?         7    10  0.48    12  1.32  molprobity  
134  134  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
135  135  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
136  136  t        -148.4   141.0  Favored   4     6  0.32     8  1.34  molprobity  
137  137  mt       -126.4    83.8  Favored  11     8  0.37    12  1.43  molprobity  
138  138  Cg_exo    -67.0   157.3  Favored   7     7  0.89     8  0.89  molprobity  
139  139  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
140  140  tt0       -54.0    97.2  OUTLIER   6     8  0.53     9  1.17  molprobity  
141  141  ?             ?       ?  ?        12     ?     ?     ?     ?  ?           
142  142  m        -141.1   154.2  Favored   9     7  0.38    10  1.12  molprobity  
143  143  t        -138.2   167.3  Favored   4     5  0.30     5  1.37  molprobity  
144  144  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
145  145  t60           ?       ?  ?         6    10  0.54    12  1.56  molprobity  
146  146  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
147  147  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
148  148  t        -144.3   154.6  Favored   4     6  0.26     8  2.03  molprobity  
149  149  mp       -125.3   110.7  Favored  11     8  0.45    12  1.46  molprobity  
150  150  Cg_endo   -69.7   144.4  Favored   7     7  0.81     8  1.67  molprobity  
151  151  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
152  152  tt0       -64.8   126.9  Favored   6     8  0.30     9  2.17  molprobity  
153  153  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
154  154  m         -87.2   157.2  Favored   9     7  0.37    10  1.55  molprobity  
155  155  t        -142.2   131.2  Favored   4     5  0.18     5  1.87  molprobity  
156  156  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
157  157  t60           ?       ?  ?         7    10  0.56    12  1.79  molprobity  
158  158  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
159  159  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
160  160  t        -127.0   145.1  Favored   4     6  0.18     8  1.30  molprobity  
161  161  mt       -116.5   110.0  Favored  11     8  0.44    12  1.41  molprobity  
162  162  Cg_exo    -72.0   128.0  Favored   7     7  0.86     8  2.35  molprobity  
163  163  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
164  164  tp10      -55.1    96.0  OUTLIER   6     8  0.48     9  1.89  molprobity  
165  165  ?             ?       ?  ?        12     ?     ?     ?     ?  ?           
166  166  m        -134.2   157.1  Favored   9     7  0.35    10  2.66  molprobity  
167  167  t        -150.0   150.8  Favored   4     5  0.34     5  2.18  molprobity  
168  168  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
169  169  t60           ?       ?  ?         6    10  0.36    12  1.17  molprobity  
170  170  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
171  171  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
172  172  t        -157.2   139.4  Favored   4     6  0.26     8  1.76  molprobity  
173  173  mp       -120.8   112.8  Favored  11     8  0.48    12  1.41  molprobity  
174  174  Cg_endo   -75.8   152.3  Favored   7     7  0.93     8  2.35  molprobity  
175  175  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
176  176  tt0       -58.7   110.7  Allowed   6     8  0.43     9  1.51  molprobity  
177  177  ?             ?       ?  ?        12     ?     ?     ?     ?  ?           
178  178  m        -143.5   154.4  Favored   9     7  0.42    10  2.23  molprobity  
179  179  t        -135.9   133.5  Favored   4     5  0.26     5  1.90  molprobity  
180  180  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
181  181  t60           ?       ?  ?         7    10  0.55    12  1.75  molprobity  
182  182  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
183  183  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
184  184  t        -156.8   130.7  Favored   4     6  0.15     8  1.36  molprobity  
185  185  tt       -119.3   138.8  Favored  11     8  0.41    12  1.10  molprobity  
186  186  Cg_endo   -59.7   139.0  Favored   7     7  0.89     8  1.45  molprobity  
187  187  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
188  188  mt-10     -83.8    70.5  Favored   6     8  0.33     9  1.64  molprobity  
189  189  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
190  190  t         -89.6   150.2  Favored   9     7  0.50    10  1.86  molprobity  
191  191  t        -112.7   120.7  Favored   4     5  0.34     5  1.03  molprobity  
192  192  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
193  193  t60           ?       ?  ?         7    10  0.56    12  0.80  molprobity  
194  194  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
195  195  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
196  196  t        -164.7   137.8  Favored   4     6  0.37     8  1.44  molprobity  
197  197  tp       -102.0   103.3  Favored  11     8  0.42    12  2.00  molprobity  
198  198  Cg_endo   -84.3   141.1  Favored   7     7  0.88     8  1.43  molprobity  
199  199  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
200  200  mt-10    -134.6     7.8  Favored   6     8  0.50     9  0.61  molprobity  
201  201  ?             ?       ?  ?        12     ?     ?     ?     ?  ?           
202  202  m         -79.8   155.2  Favored   9     7  0.44    10  1.53  molprobity  
203  203  t        -136.9   144.9  Favored   4     5  0.34     5  0.85  molprobity  
204  204  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
205  205  t60           ?       ?  ?         7    10  0.49    12  1.34  molprobity  
206  206  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
207  207  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
208  208  t        -154.0   138.8  Favored   4     6  0.32     8  1.06  molprobity  
209  209  OUTLIER  -153.1   106.0  Favored  11     8  0.41    12  1.75  molprobity  
210  210  Cg_exo    -81.1   149.7  Favored   7     7  0.94     8  1.55  molprobity  
211  211  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
212  212  mt-10    -133.0    32.5  Favored   6     8  0.46     9  2.90  molprobity  
213  213  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
214  214  m        -127.0   142.4  Favored   9     7  0.43    10  1.40  molprobity  
215  215  t         -92.7   171.6  Favored   4     5  0.27     5  3.04  molprobity  
216  216  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
217  217  t60           ?       ?  ?         7    10  0.56    12  1.35  molprobity  
218  218  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
219  219  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
220  220  t        -150.2   143.2  Favored   4     6  0.22     8  1.48  molprobity  
221  221  tp       -156.1   134.9  Favored  11     8  0.45    12  1.55  molprobity  
222  222  Cg_exo    -78.4   120.1  Favored   7     7  0.79     8  1.84  molprobity  
223  223  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
224  224  mt-10     -75.7    31.8  Allowed   6     8  0.36     9  2.30  molprobity  
225  225  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
226  226  m        -100.2   149.4  Favored   9     7  0.37    10  1.79  molprobity  
227  227  t         -92.8   124.8  Favored   4     5  0.40     5  1.27  molprobity  
228  228  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
229  229  t60           ?       ?  ?         7    10  0.44    12  1.11  molprobity  
230  230  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
231  231  ?             ?       ?  ?         8     ?     ?     ?     ?  ?           
232  232  t        -139.0   121.0  Favored   4     6  0.25     8  1.65  molprobity  
233  233  tp       -146.4    76.8  Favored  11     8  0.34    12  2.04  molprobity  
234  234  Cg_exo    -57.4   127.6  Favored   7     7  0.92     8  0.99  molprobity  
235  235  ?             ?       ?  ?         7     ?     ?     ?     ?  ?           
236  236  mt-10    -129.7    33.8  Favored   6     8  0.49     9  1.02  molprobity  
237  237  ?             ?       ?  ?        11     ?     ?     ?     ?  ?           
238  238  m        -131.9   148.8  Favored   9     7  0.46    10  1.77  molprobity  
239  239  t        -112.2   128.4  Favored   4     5  0.44     5  2.06  molprobity  
240  240  ?             ?       ?  ?         5     ?     ?     ?     ?  ?           
#
_pdbx_vrpt_instance_intra_plane_outliers.ordinal      1
_pdbx_vrpt_instance_intra_plane_outliers.instance_id  224
_pdbx_vrpt_instance_intra_plane_outliers.type         mainchain
_pdbx_vrpt_instance_intra_plane_outliers.improper     -10.63
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
 1    6  N    CD  CG   111.958  103.200  1.500   5.84  
 2   10  CA   CB  CG2  118.874  110.900  1.500   5.32  
 3   42  N    CD  CG   110.882  103.200  1.500   5.12  
 4   76  CA   CB  SG   124.646  114.000  1.800   5.91  
 5  102  N    CA  CB   110.502  103.300  1.200   6.00  
 6  126  N    CA  CB   110.066  103.300  1.200   5.64  
 7  166  CA   CB  CG2  119.738  110.900  1.500   5.89  
 8  166  CG1  CB  CG2  102.420  110.900  1.600  -5.30  
 9  174  N    CA  CB   109.431  103.300  1.200   5.11  
10  178  CA   CB  CG2  118.554  110.900  1.500   5.10  
11  212  CB   CA  C    122.761  110.400  2.000   6.18  
12  233  CB   CA  C    123.008  111.600  2.000   5.70  
#
_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                        12mer_bmrb.txt
_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           84
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           84
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            84
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_unparsed_chemical_shift.ordinal
_pdbx_vrpt_unparsed_chemical_shift.id
_pdbx_vrpt_unparsed_chemical_shift.auth_asym_id
_pdbx_vrpt_unparsed_chemical_shift.rescode
_pdbx_vrpt_unparsed_chemical_shift.auth_seq_id
_pdbx_vrpt_unparsed_chemical_shift.label_atom_id
_pdbx_vrpt_unparsed_chemical_shift.value
_pdbx_vrpt_unparsed_chemical_shift.error
_pdbx_vrpt_unparsed_chemical_shift.ambiguity
_pdbx_vrpt_unparsed_chemical_shift.diagnostic
1  ?     A  DVA  3  HG12  0.973  0.00  .  "Reported more than once"  
2  ?     A  DVA  3  HG13  0.973  0.00  .  "Reported more than once"  
#
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  HIS   1  0.043  
2  A  CYS   4  0.014  
3  A  ILE   5  0.025  
4  A  PRO   6  0.037  
5  A  GLU   8  0.068  
6  A  VAL  10  0.143  
7  A  CYS  11  0.169  
#
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  5  
#
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   0   1   1  stereomethyl  stereomethyl  
 2  51  38  89  overall       Total         
 3  17  16  33  backbone      Total         
 4  32  16  48  sidechain     Total         
 5   2   6   8  aromatic      Total         
 6  46   3  49  overall       H             
 7  12   1  13  backbone      H             
 8  32   0  32  sidechain     H             
 9   2   2   4  aromatic      H             
10   0  32  32  overall       C             
11   0  14  14  backbone      C             
12   0  16  16  sidechain     C             
13   0   2   2  aromatic      C             
14   5   3   8  overall       N             
15   5   1   6  backbone      N             
16   0   2   2  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   0   1   1  stereomethyl  stereomethyl  
 2  51  38  89  overall       Total         
 3  17  16  33  backbone      Total         
 4  32  16  48  sidechain     Total         
 5   2   6   8  aromatic      Total         
 6  46   3  49  overall       H             
 7  12   1  13  backbone      H             
 8  32   0  32  sidechain     H             
 9   2   2   4  aromatic      H             
10   0  32  32  overall       C             
11   0  14  14  backbone      C             
12   0  16  16  sidechain     C             
13   0   2   2  aromatic      C             
14   5   3   8  overall       N             
15   5   1   6  backbone      N             
16   0   2   2  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    103  
 2  "Intra-residue (|i-j|=0)"                       48  
 3  "Sequential (|i-j|=1)"                          30  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             9  
 5  "Long range (|i-j|>=5)"                         16  
 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"                  7  
11  "Number of restraints per residue"             8.6  
12  "Number of long range restraints per residue"  1.3  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                  48   46.6  4  3.9   8.3  30  29.1   62.5  
 2  Intra-residue  BackboneBackbone      9    8.7  0  0.0   0.0   1   1.0   11.1  
 3  Intra-residue  BackboneSidechain    31   30.1  1  1.0   3.2  22  21.4   71.0  
 4  Intra-residue  SidechainSidechain    8    7.8  3  2.9  37.5   7   6.8   87.5  
 5  Sequential     all                  30   29.1  0  0.0   0.0  15  14.6   50.0  
 6  Sequential     BackboneBackbone      8    7.8  0  0.0   0.0   5   4.9   62.5  
 7  Sequential     BackboneSidechain    18   17.5  0  0.0   0.0   9   8.7   50.0  
 8  Sequential     SidechainSidechain    4    3.9  0  0.0   0.0   1   1.0   25.0  
 9  MediumRange    all                   9    8.7  0  0.0   0.0   4   3.9   44.4  
10  MediumRange    BackboneBackbone      2    1.9  0  0.0   0.0   2   1.9  100.0  
11  MediumRange    BackboneSidechain     5    4.9  0  0.0   0.0   1   1.0   20.0  
12  MediumRange    SidechainSidechain    2    1.9  0  0.0   0.0   1   1.0   50.0  
13  LongRange      all                  16   15.5  0  0.0   0.0   2   1.9   12.5  
14  LongRange      BackboneBackbone     10    9.7  0  0.0   0.0   0   0.0    0.0  
15  LongRange      BackboneSidechain     4    3.9  0  0.0   0.0   0   0.0    0.0  
16  LongRange      SidechainSidechain    2    1.9  0  0.0   0.0   2   1.9  100.0  
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                 103  100.0  4  3.9   3.9  51  49.5   49.5  
24  Total          BackboneBackbone     29   28.2  0  0.0   0.0   8   7.8   27.6  
25  Total          BackboneSidechain    58   56.3  1  1.0   1.7  32  31.1   55.2  
26  Total          SidechainSidechain   16   15.5  3  2.9  18.8  11  10.7   68.8  
#
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  0.83  0.32  0.24  0.19  
 2   2  0.97  0.40  0.34  0.24  
 3   3  0.93  0.39  0.34  0.19  
 4   4  0.87  0.41  0.43  0.22  
 5   5  0.77  0.32  0.24  0.18  
 6   6  0.76  0.38  0.36  0.18  
 7   7  0.61  0.37  0.36  0.14  
 8   8  1.18  0.48  0.50  0.28  
 9   9  0.88  0.42  0.42  0.22  
10  10  0.80  0.34  0.30  0.19  
11  11  0.79  0.36  0.32  0.18  
12  12  0.69  0.36  0.34  0.17  
13  13  0.79  0.37  0.32  0.20  
14  14  0.77  0.38  0.35  0.21  
15  15  0.83  0.39  0.36  0.17  
16  16  0.81  0.38  0.37  0.20  
17  17  1.92  0.47  0.41  0.39  
18  18  1.22  0.45  0.41  0.26  
19  19  0.78  0.34  0.32  0.17  
20  20  1.50  0.46  0.34  0.35  
#
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  13  
  2   1  sequential    10  
  3   1  medium         1  
  4   1  long           0  
  5   1  interchain     0  
  6   1  total         24  
  7   2  intraresidue  10  
  8   2  sequential     8  
  9   2  medium         0  
 10   2  long           0  
 11   2  interchain     0  
 12   2  total         18  
 13   3  intraresidue  10  
 14   3  sequential    10  
 15   3  medium         2  
 16   3  long           0  
 17   3  interchain     0  
 18   3  total         22  
 19   4  intraresidue  13  
 20   4  sequential     8  
 21   4  medium         1  
 22   4  long           0  
 23   4  interchain     0  
 24   4  total         22  
 25   5  intraresidue  11  
 26   5  sequential     5  
 27   5  medium         2  
 28   5  long           0  
 29   5  interchain     0  
 30   5  total         18  
 31   6  intraresidue  10  
 32   6  sequential     7  
 33   6  medium         1  
 34   6  long           0  
 35   6  interchain     0  
 36   6  total         18  
 37   7  intraresidue  10  
 38   7  sequential     7  
 39   7  medium         1  
 40   7  long           1  
 41   7  interchain     0  
 42   7  total         19  
 43   8  intraresidue   8  
 44   8  sequential     6  
 45   8  medium         2  
 46   8  long           2  
 47   8  interchain     0  
 48   8  total         18  
 49   9  intraresidue   9  
 50   9  sequential     8  
 51   9  medium         3  
 52   9  long           1  
 53   9  interchain     0  
 54   9  total         21  
 55  10  intraresidue  14  
 56  10  sequential     7  
 57  10  medium         1  
 58  10  long           0  
 59  10  interchain     0  
 60  10  total         22  
 61  11  intraresidue  11  
 62  11  sequential     9  
 63  11  medium         3  
 64  11  long           1  
 65  11  interchain     0  
 66  11  total         24  
 67  12  intraresidue  12  
 68  12  sequential     5  
 69  12  medium         1  
 70  12  long           0  
 71  12  interchain     0  
 72  12  total         18  
 73  13  intraresidue  12  
 74  13  sequential     6  
 75  13  medium         3  
 76  13  long           0  
 77  13  interchain     0  
 78  13  total         21  
 79  14  intraresidue  11  
 80  14  sequential     8  
 81  14  medium         2  
 82  14  long           0  
 83  14  interchain     0  
 84  14  total         21  
 85  15  intraresidue  12  
 86  15  sequential     7  
 87  15  medium         3  
 88  15  long           0  
 89  15  interchain     0  
 90  15  total         22  
 91  16  intraresidue  14  
 92  16  sequential     7  
 93  16  medium         0  
 94  16  long           1  
 95  16  interchain     0  
 96  16  total         22  
 97  17  intraresidue  10  
 98  17  sequential     5  
 99  17  medium         1  
100  17  long           1  
101  17  interchain     0  
102  17  total         17  
103  18  intraresidue  13  
104  18  sequential     3  
105  18  medium         1  
106  18  long           1  
107  18  interchain     0  
108  18  total         18  
109  19  intraresidue  14  
110  19  sequential     6  
111  19  medium         1  
112  19  long           2  
113  19  interchain     0  
114  19  total         23  
115  20  intraresidue   7  
116  20  sequential     5  
117  20  medium         1  
118  20  long           0  
119  20  interchain     0  
120  20  total         13  
#
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  7  
  2   1  sequential    1  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         8  
  7   2  intraresidue  4  
  8   2  sequential    1  
  9   2  medium        1  
 10   2  long          1  
 11   2  interchain    0  
 12   2  total         7  
 13   3  intraresidue  2  
 14   3  sequential    2  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         4  
 19   4  intraresidue  0  
 20   4  sequential    1  
 21   4  medium        1  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         2  
 25   5  intraresidue  4  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         4  
 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  1  
 38   7  sequential    1  
 39   7  medium        1  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         3  
 43   8  intraresidue  2  
 44   8  sequential    1  
 45   8  medium        0  
 46   8  long          1  
 47   8  interchain    0  
 48   8  total         4  
 49   9  intraresidue  1  
 50   9  sequential    1  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         2  
 55  10  intraresidue  1  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         1  
 61  11  intraresidue  1  
 62  11  sequential    1  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         2  
 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    1  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         1  
 79  14  intraresidue  0  
 80  14  sequential    1  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         1  
 85  15  intraresidue  1  
 86  15  sequential    3  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         4  
 91  16  intraresidue  1  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         1  
 97  17  intraresidue  0  
 98  17  sequential    1  
 99  17  medium        1  
100  17  long          0  
101  17  interchain    0  
102  17  total         2  
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  1  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         1  
115  20  intraresidue  4  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         4  
#
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  4.8  
2  0.2-0.5  0.5  9.9  
3  >0.5     1.9  5.3  
#
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  33  1  .  A   3  DVA  ?     1  A   3  HG21  A  .   3  DVA   3  A  1  ?     HA   20  0.57  0.58  0.10  
 2  33  1  .  A   3  DVA  ?     1  A   3  HG22  A  .   3  DVA   3  A  1  ?     HA   20  0.57  0.58  0.10  
 3  33  1  .  A   3  DVA  ?     1  A   3  HG23  A  .   3  DVA   3  A  1  ?     HA   20  0.57  0.58  0.10  
 4  22  1  .  A   2  DPR  ?     1  A   2  HD3   A  .   2  DPR   2  A  1  ?     HG3  20  0.54  0.54  0.09  
 5  66  1  .  A   7  DPR  ?     1  A   7  HD3   A  .   7  DPR   7  A  1  ?     HG3  20  0.53  0.53  0.10  
 6   8  1  .  A   6  PRO  ?     1  A   6  HD2   A  .   6  PRO   6  A  1  ?     HD3  20  0.51  0.51  0.05  
 7  16  1  .  A   1  HIS  ?     1  A   1  HB2   A  .   1  HIS   1  A  1  ?     HD2  19  0.31  0.29  0.09  
 8  16  1  .  A   1  HIS  ?     1  A   1  HB3   A  .   1  HIS   1  A  1  ?     HD2  19  0.31  0.29  0.09  
 9  85  1  .  A  10  VAL  ?     1  A  10  HG11  A  .  12  DGL  12  A  1  ?     HG3  17  0.72  0.59  0.48  
10  85  1  .  A  10  VAL  ?     1  A  10  HG12  A  .  12  DGL  12  A  1  ?     HG3  17  0.72  0.59  0.48  
11  85  1  .  A  10  VAL  ?     1  A  10  HG13  A  .  12  DGL  12  A  1  ?     HG3  17  0.72  0.59  0.48  
12  85  1  .  A  10  VAL  ?     1  A  10  HG21  A  .  12  DGL  12  A  1  ?     HG3  17  0.72  0.59  0.48  
13  85  1  .  A  10  VAL  ?     1  A  10  HG22  A  .  12  DGL  12  A  1  ?     HG3  17  0.72  0.59  0.48  
14  85  1  .  A  10  VAL  ?     1  A  10  HG23  A  .  12  DGL  12  A  1  ?     HG3  17  0.72  0.59  0.48  
15  58  1  .  A   6  PRO  ?     1  A   6  HD3   A  .   5  ILE   5  A  1  ?     HA   17  0.55  0.52  0.25  
16  70  1  .  A   8  GLU  ?     1  A   8  HB2   A  .   8  GLU   8  A  1  ?     H    16  0.40  0.35  0.15  
17  61  1  .  A   7  DPR  ?     1  A   7  HA    A  .   8  GLU   8  A  1  ?     H    15  0.61  0.61  0.14  
18  59  1  .  A   6  PRO  ?     1  A   6  HD2   A  .   5  ILE   5  A  1  ?     HA   15  0.55  0.62  0.26  
19  78  1  .  A  10  VAL  ?     1  A  10  HB    A  .  11  CYS  11  A  1  ?     H    15  0.34  0.33  0.10  
20  60  1  .  A   7  DPR  ?     1  A   7  HA    A  .   7  DPR   7  A  1  ?     HB2  15  0.21  0.22  0.06  
21  13  1  .  A  11  CYS  ?     1  A  11  HA    A  .  12  DGL  12  A  1  ?     H    14  0.17  0.15  0.05  
22   3  1  .  A   4  CYS  ?     1  A   4  HA    A  .   5  ILE   5  A  1  ?     H    13  0.22  0.21  0.07  
23  27  1  .  A   3  DVA  ?     1  A   3  HB    A  .   4  CYS   4  A  1  ?     H    11  0.33  0.28  0.12  
24  97  1  .  A  12  DGL  ?     1  A  12  HB2   A  .  12  DGL  12  A  1  ?     H    11  0.26  0.24  0.09  
25  68  1  .  A   8  GLU  ?     1  A   8  HB3   A  .   8  GLU   8  A  1  ?     H    10  0.39  0.36  0.12  
26  12  1  .  A  10  VAL  ?     1  A  10  HG11  A  .  10  VAL  10  A  1  ?     HA    9  0.19  0.19  0.06  
27  12  1  .  A  10  VAL  ?     1  A  10  HG12  A  .  10  VAL  10  A  1  ?     HA    9  0.19  0.19  0.06  
28  12  1  .  A  10  VAL  ?     1  A  10  HG13  A  .  10  VAL  10  A  1  ?     HA    9  0.19  0.19  0.06  
29  12  1  .  A  10  VAL  ?     1  A  10  HG21  A  .  10  VAL  10  A  1  ?     HA    9  0.19  0.19  0.06  
30  12  1  .  A  10  VAL  ?     1  A  10  HG22  A  .  10  VAL  10  A  1  ?     HA    9  0.19  0.19  0.06  
31  12  1  .  A  10  VAL  ?     1  A  10  HG23  A  .  10  VAL  10  A  1  ?     HA    9  0.19  0.19  0.06  
32   2  1  .  A   3  DVA  ?     1  A   3  HA    A  .   4  CYS   4  A  1  ?     H     9  0.18  0.17  0.04  
33  31  1  .  A   3  DVA  ?     1  A   3  HG11  A  .  11  CYS  11  A  1  ?     HB3   8  0.32  0.32  0.13  
34  31  1  .  A   3  DVA  ?     1  A   3  HG12  A  .  11  CYS  11  A  1  ?     HB3   8  0.32  0.32  0.13  
35  31  1  .  A   3  DVA  ?     1  A   3  HG13  A  .  11  CYS  11  A  1  ?     HB3   8  0.32  0.32  0.13  
36  44  1  .  A   5  ILE  ?     1  A   5  HG12  A  .   5  ILE   5  A  1  ?     H     8  0.28  0.24  0.16  
37  44  1  .  A   5  ILE  ?     1  A   5  HG13  A  .   5  ILE   5  A  1  ?     H     8  0.28  0.24  0.16  
38  45  1  .  A   5  ILE  ?     1  A   5  HG12  A  .   5  ILE   5  A  1  ?     H     8  0.28  0.24  0.16  
39  45  1  .  A   5  ILE  ?     1  A   5  HG13  A  .   5  ILE   5  A  1  ?     H     8  0.28  0.24  0.16  
40   6  1  .  A   6  PRO  ?     1  A   6  HA    A  .   7  DPR   7  A  1  ?     HD2   8  0.15  0.14  0.04  
41  57  1  .  A   6  PRO  ?     1  A   6  HA    A  .   9  DLY   9  A  1  ?     H     7  0.41  0.43  0.16  
42  93  1  .  A  11  CYS  ?     1  A  11  HB2   A  .  11  CYS  11  A  1  ?     H     7  0.28  0.25  0.12  
43  11  1  .  A  10  VAL  ?     1  A  10  HA    A  .  11  CYS  11  A  1  ?     H     7  0.20  0.18  0.07  
44  46  1  .  A   5  ILE  ?     1  A   5  HG21  A  .   5  ILE   5  A  1  ?     H     5  0.47  0.49  0.07  
45  46  1  .  A   5  ILE  ?     1  A   5  HG22  A  .   5  ILE   5  A  1  ?     H     5  0.47  0.49  0.07  
46  46  1  .  A   5  ILE  ?     1  A   5  HG23  A  .   5  ILE   5  A  1  ?     H     5  0.47  0.49  0.07  
47  91  1  .  A  11  CYS  ?     1  A  11  HB3   A  .  11  CYS  11  A  1  ?     H     5  0.35  0.32  0.09  
48  74  1  .  A   9  DLY  ?     1  A   9  HE3   A  .   9  DLY   9  A  1  ?     HA    5  0.26  0.18  0.20  
49  52  1  .  A   6  PRO  ?     1  A   6  HA    A  .   6  PRO   6  A  1  ?     HB2   5  0.18  0.17  0.03  
50  63  1  .  A   7  DPR  ?     1  A   7  HD2   A  .   9  DLY   9  A  1  ?     H     4  0.27  0.26  0.11  
51  20  1  .  A   2  DPR  ?     1  A   2  HD2   A  .   3  DVA   3  A  1  ?     H     4  0.25  0.23  0.08  
52  48  1  .  A   5  ILE  ?     1  A   5  HG21  A  .   6  PRO   6  A  1  ?     HD2   3  0.51  0.53  0.09  
53  48  1  .  A   5  ILE  ?     1  A   5  HG22  A  .   6  PRO   6  A  1  ?     HD2   3  0.51  0.53  0.09  
54  48  1  .  A   5  ILE  ?     1  A   5  HG23  A  .   6  PRO   6  A  1  ?     HD2   3  0.51  0.53  0.09  
55  71  1  .  A   8  GLU  ?     1  A   8  HG2   A  .   8  GLU   8  A  1  ?     H     3  0.28  0.28  0.07  
56  71  1  .  A   8  GLU  ?     1  A   8  HG3   A  .   8  GLU   8  A  1  ?     H     3  0.28  0.28  0.07  
57  65  1  .  A   7  DPR  ?     1  A   7  HD3   A  .   7  DPR   7  A  1  ?     HG2   3  0.22  0.17  0.09  
58  92  1  .  A  11  CYS  ?     1  A  11  HB3   A  .  12  DGL  12  A  1  ?     H     3  0.15  0.16  0.03  
59  84  1  .  A  10  VAL  ?     1  A  10  HG11  A  .  11  CYS  11  A  1  ?     H     2  0.73  0.73  0.09  
60  84  1  .  A  10  VAL  ?     1  A  10  HG12  A  .  11  CYS  11  A  1  ?     H     2  0.73  0.73  0.09  
61  84  1  .  A  10  VAL  ?     1  A  10  HG13  A  .  11  CYS  11  A  1  ?     H     2  0.73  0.73  0.09  
62  84  1  .  A  10  VAL  ?     1  A  10  HG21  A  .  11  CYS  11  A  1  ?     H     2  0.73  0.73  0.09  
63  84  1  .  A  10  VAL  ?     1  A  10  HG22  A  .  11  CYS  11  A  1  ?     H     2  0.73  0.73  0.09  
64  84  1  .  A  10  VAL  ?     1  A  10  HG23  A  .  11  CYS  11  A  1  ?     H     2  0.73  0.73  0.09  
65  79  1  .  A  10  VAL  ?     1  A  10  HG11  A  .   1  HIS   1  A  1  ?     HB2   2  0.47  0.47  0.04  
66  79  1  .  A  10  VAL  ?     1  A  10  HG11  A  .   1  HIS   1  A  1  ?     HB3   2  0.47  0.47  0.04  
67  79  1  .  A  10  VAL  ?     1  A  10  HG12  A  .   1  HIS   1  A  1  ?     HB2   2  0.47  0.47  0.04  
68  79  1  .  A  10  VAL  ?     1  A  10  HG12  A  .   1  HIS   1  A  1  ?     HB3   2  0.47  0.47  0.04  
69  79  1  .  A  10  VAL  ?     1  A  10  HG13  A  .   1  HIS   1  A  1  ?     HB2   2  0.47  0.47  0.04  
70  79  1  .  A  10  VAL  ?     1  A  10  HG13  A  .   1  HIS   1  A  1  ?     HB3   2  0.47  0.47  0.04  
71  79  1  .  A  10  VAL  ?     1  A  10  HG21  A  .   1  HIS   1  A  1  ?     HB2   2  0.47  0.47  0.04  
72  79  1  .  A  10  VAL  ?     1  A  10  HG21  A  .   1  HIS   1  A  1  ?     HB3   2  0.47  0.47  0.04  
73  79  1  .  A  10  VAL  ?     1  A  10  HG22  A  .   1  HIS   1  A  1  ?     HB2   2  0.47  0.47  0.04  
74  79  1  .  A  10  VAL  ?     1  A  10  HG22  A  .   1  HIS   1  A  1  ?     HB3   2  0.47  0.47  0.04  
75  79  1  .  A  10  VAL  ?     1  A  10  HG23  A  .   1  HIS   1  A  1  ?     HB2   2  0.47  0.47  0.04  
76  79  1  .  A  10  VAL  ?     1  A  10  HG23  A  .   1  HIS   1  A  1  ?     HB3   2  0.47  0.47  0.04  
77  43  1  .  A   5  ILE  ?     1  A   5  HD11  A  .   5  ILE   5  A  1  ?     H     2  0.36  0.36  0.02  
78  43  1  .  A   5  ILE  ?     1  A   5  HD12  A  .   5  ILE   5  A  1  ?     H     2  0.36  0.36  0.02  
79  43  1  .  A   5  ILE  ?     1  A   5  HD13  A  .   5  ILE   5  A  1  ?     H     2  0.36  0.36  0.02  
80  21  1  .  A   2  DPR  ?     1  A   2  HD3   A  .   2  DPR   2  A  1  ?     HB3   2  0.23  0.23  0.07  
81  56  1  .  A   6  PRO  ?     1  A   6  HA    A  .   8  GLU   8  A  1  ?     H     2  0.21  0.21  0.04  
82   5  1  .  A   6  PRO  ?     1  A   6  HA    A  .   6  PRO   6  A  1  ?     HB3   2  0.20  0.20  0.01  
83  76  1  .  A  10  VAL  ?     1  A  10  HA    A  .  10  VAL  10  A  1  ?     H     2  0.17  0.17  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  85  1  202  204  HG11  HG3  1.92  
  2  85  1  202  204  HG12  HG3  1.92  
  3  85  1  202  204  HG13  HG3  1.92  
  4  85  1  202  204  HG21  HG3  1.92  
  5  85  1  202  204  HG22  HG3  1.92  
  6  85  1  202  204  HG23  HG3  1.92  
  7  85  1  238  240  HG11  HG3  1.50  
  8  85  1  238  240  HG12  HG3  1.50  
  9  85  1  238  240  HG13  HG3  1.50  
 10  85  1  238  240  HG21  HG3  1.50  
 11  85  1  238  240  HG22  HG3  1.50  
 12  85  1  238  240  HG23  HG3  1.50  
 13  85  1  214  216  HG11  HG3  1.22  
 14  85  1  214  216  HG12  HG3  1.22  
 15  85  1  214  216  HG13  HG3  1.22  
 16  85  1  214  216  HG21  HG3  1.22  
 17  85  1  214  216  HG22  HG3  1.22  
 18  85  1  214  216  HG23  HG3  1.22  
 19  85  1   94   96  HG11  HG3  1.18  
 20  85  1   94   96  HG12  HG3  1.18  
 21  85  1   94   96  HG13  HG3  1.18  
 22  85  1   94   96  HG21  HG3  1.18  
 23  85  1   94   96  HG22  HG3  1.18  
 24  85  1   94   96  HG23  HG3  1.18  
 25  59  1   90   89  HD2   HA   0.99  
 26  58  1   18   17  HD3   HA   0.97  
 27  58  1   30   29  HD3   HA   0.93  
 28  58  1  102  101  HD3   HA   0.88  
 29  59  1   42   41  HD2   HA   0.87  
 30  61  1   43   44  HA    H    0.85  
 31  70  1  176  176  HB2   H    0.83  
 32  59  1    6    5  HD2   HA   0.83  
 33  84  1  190  191  HG11  H    0.81  
 34  84  1  190  191  HG12  H    0.81  
 35  84  1  190  191  HG13  H    0.81  
 36  84  1  190  191  HG21  H    0.81  
 37  84  1  190  191  HG22  H    0.81  
 38  84  1  190  191  HG23  H    0.81  
 39  85  1  118  120  HG11  HG3  0.80  
 40  85  1  118  120  HG12  HG3  0.80  
 41  85  1  118  120  HG13  HG3  0.80  
 42  85  1  118  120  HG21  HG3  0.80  
 43  85  1  118  120  HG22  HG3  0.80  
 44  85  1  118  120  HG23  HG3  0.80  
 45  58  1  210  209  HD3   HA   0.80  
 46  61  1  127  128  HA    H    0.79  
 47  59  1  150  149  HD2   HA   0.79  
 48  58  1  222  221  HD3   HA   0.78  
 49  85  1   58   60  HG11  HG3  0.77  
 50  85  1   58   60  HG12  HG3  0.77  
 51  85  1   58   60  HG13  HG3  0.77  
 52  85  1   58   60  HG21  HG3  0.77  
 53  85  1   58   60  HG22  HG3  0.77  
 54  85  1   58   60  HG23  HG3  0.77  
 55  61  1  103  104  HA    H    0.77  
 56  61  1  163  164  HA    H    0.77  
 57  58  1  162  161  HD3   HA   0.77  
 58  22  1  230  230  HD3   HG3  0.77  
 59  85  1   70   72  HG11  HG3  0.76  
 60  85  1   70   72  HG12  HG3  0.76  
 61  85  1   70   72  HG13  HG3  0.76  
 62  85  1   70   72  HG21  HG3  0.76  
 63  85  1   70   72  HG22  HG3  0.76  
 64  85  1   70   72  HG23  HG3  0.76  
 65  85  1  166  168  HG11  HG3  0.76  
 66  85  1  166  168  HG12  HG3  0.76  
 67  85  1  166  168  HG13  HG3  0.76  
 68  85  1  166  168  HG21  HG3  0.76  
 69  85  1  166  168  HG22  HG3  0.76  
 70  85  1  166  168  HG23  HG3  0.76  
 71  61  1   31   32  HA    H    0.73  
 72  33  1   87   87  HG21  HA   0.73  
 73  33  1   87   87  HG22  HA   0.73  
 74  33  1   87   87  HG23  HA   0.73  
 75  66  1   19   19  HD3   HG3  0.71  
 76  59  1  186  185  HD2   HA   0.71  
 77  66  1  151  151  HD3   HG3  0.69  
 78  61  1  139  140  HA    H    0.69  
 79  66  1   67   67  HD3   HG3  0.68  
 80  33  1  123  123  HG21  HA   0.68  
 81  33  1  123  123  HG22  HA   0.68  
 82  33  1  123  123  HG23  HA   0.68  
 83  33  1  207  207  HG21  HA   0.68  
 84  33  1  207  207  HG22  HA   0.68  
 85  33  1  207  207  HG23  HA   0.68  
 86  57  1   90   93  HA    H    0.67  
 87  33  1   15   15  HG21  HA   0.67  
 88  33  1   15   15  HG22  HA   0.67  
 89  33  1   15   15  HG23  HA   0.67  
 90  33  1   99   99  HG21  HA   0.67  
 91  33  1   99   99  HG22  HA   0.67  
 92  33  1   99   99  HG23  HA   0.67  
 93  61  1    7    8  HA    H    0.66  
 94  33  1  111  111  HG21  HA   0.66  
 95  33  1  111  111  HG22  HA   0.66  
 96  33  1  111  111  HG23  HA   0.66  
 97  74  1  213  213  HE3   HA   0.65  
 98  70  1  224  224  HB2   H    0.65  
 99  33  1   27   27  HG21  HA   0.65  
100  33  1   27   27  HG22  HA   0.65  
101  33  1   27   27  HG23  HA   0.65  
102  84  1  130  131  HG11  H    0.64  
103  84  1  130  131  HG12  H    0.64  
104  84  1  130  131  HG13  H    0.64  
105  84  1  130  131  HG21  H    0.64  
106  84  1  130  131  HG22  H    0.64  
107  84  1  130  131  HG23  H    0.64  
108  59  1  114  113  HD2   HA   0.64  
109  59  1  174  173  HD2   HA   0.64  
110  66  1  187  187  HD3   HG3  0.63  
111  45  1   41   41  HG12  H    0.63  
112  45  1   41   41  HG13  H    0.63  
113  44  1   41   41  HG12  H    0.63  
114  44  1   41   41  HG13  H    0.63  
115  22  1  146  146  HD3   HG3  0.63  
116  59  1  198  197  HD2   HA   0.62  
117  22  1   98   98  HD3   HG3  0.62  
118  68  1  104  104  HB3   H    0.61  
119  66  1   91   91  HD3   HG3  0.61  
120  61  1   79   80  HA    H    0.61  
121  22  1  170  170  HD3   HG3  0.61  
122  48  1   17   18  HG21  HD2  0.60  
123  48  1   17   18  HG22  HD2  0.60  
124  48  1   17   18  HG23  HD2  0.60  
125  33  1    3    3  HG21  HA   0.60  
126  33  1    3    3  HG22  HA   0.60  
127  33  1    3    3  HG23  HA   0.60  
128  33  1  171  171  HG21  HA   0.60  
129  33  1  171  171  HG22  HA   0.60  
130  33  1  171  171  HG23  HA   0.60  
131  22  1  182  182  HD3   HG3  0.60  
132  85  1   46   48  HG11  HG3  0.59  
133  85  1   46   48  HG12  HG3  0.59  
134  85  1   46   48  HG13  HG3  0.59  
135  85  1   46   48  HG21  HG3  0.59  
136  85  1   46   48  HG22  HG3  0.59  
137  85  1   46   48  HG23  HG3  0.59  
138  85  1  106  108  HG11  HG3  0.59  
139  85  1  106  108  HG12  HG3  0.59  
140  85  1  106  108  HG13  HG3  0.59  
141  85  1  106  108  HG21  HG3  0.59  
142  85  1  106  108  HG22  HG3  0.59  
143  85  1  106  108  HG23  HG3  0.59  
144   8  1   90   90  HD2   HD3  0.59  
145  33  1  195  195  HG21  HA   0.59  
146  33  1  195  195  HG22  HA   0.59  
147  33  1  195  195  HG23  HA   0.59  
148  22  1  134  134  HD3   HG3  0.59  
149   8  1   18   18  HD2   HD3  0.58  
150   8  1   66   66  HD2   HD3  0.58  
151   8  1  102  102  HD2   HD3  0.58  
152  33  1   51   51  HG21  HA   0.58  
153  33  1   51   51  HG22  HA   0.58  
154  33  1   51   51  HG23  HA   0.58  
155  22  1   62   62  HD3   HG3  0.58  
156  66  1   79   79  HD3   HG3  0.57  
157  59  1   78   77  HD2   HA   0.57  
158  57  1  174  177  HA    H    0.56  
159  46  1  185  185  HG21  H    0.56  
160  46  1  185  185  HG22  H    0.56  
161  46  1  185  185  HG23  H    0.56  
162  33  1  159  159  HG21  HA   0.56  
163  33  1  159  159  HG22  HA   0.56  
164  33  1  159  159  HG23  HA   0.56  
165  27  1  147  148  HB    H    0.56  
166  22  1  110  110  HD3   HG3  0.56  
167  22  1  158  158  HD3   HG3  0.56  
168   8  1    6    6  HD2   HD3  0.55  
169  66  1  223  223  HD3   HG3  0.55  
170  58  1   66   65  HD3   HA   0.55  
171  22  1   26   26  HD3   HG3  0.55  
172   8  1  198  198  HD2   HD3  0.54  
173  66  1   43   43  HD3   HG3  0.54  
174  66  1  127  127  HD3   HG3  0.54  
175  61  1   55   56  HA    H    0.54  
176  61  1  187  188  HA    H    0.54  
177  58  1  234  233  HD3   HA   0.54  
178  33  1  219  219  HG21  HA   0.54  
179  33  1  219  219  HG22  HA   0.54  
180  33  1  219  219  HG23  HA   0.54  
181  91  1  215  215  HB3   H    0.53  
182   8  1   30   30  HD2   HD3  0.53  
183   8  1  126  126  HD2   HD3  0.53  
184   8  1  138  138  HD2   HD3  0.53  
185  68  1   32   32  HB3   H    0.53  
186  66  1  139  139  HD3   HG3  0.53  
187  66  1  199  199  HD3   HG3  0.53  
188  48  1   41   42  HG21  HD2  0.53  
189  48  1   41   42  HG22  HD2  0.53  
190  48  1   41   42  HG23  HD2  0.53  
191  46  1  197  197  HG21  H    0.53  
192  46  1  197  197  HG22  H    0.53  
193  46  1  197  197  HG23  H    0.53  
194  31  1   87   95  HG11  HB3  0.53  
195  31  1   87   95  HG12  HB3  0.53  
196  31  1   87   95  HG13  HB3  0.53  
197  22  1   74   74  HD3   HG3  0.53  
198  16  1   97   97  HB2   HD2  0.53  
199  16  1   97   97  HB3   HD2  0.53  
200   8  1  162  162  HD2   HD3  0.52  
201  78  1   94   95  HB    H    0.52  
202  58  1  138  137  HD3   HA   0.52  
203  33  1  147  147  HG21  HA   0.52  
204  33  1  147  147  HG22  HA   0.52  
205  33  1  147  147  HG23  HA   0.52  
206  22  1  218  218  HD3   HG3  0.52  
207  79  1   94   85  HG11  HB2  0.51  
208  79  1   94   85  HG11  HB3  0.51  
209  79  1   94   85  HG12  HB2  0.51  
210  79  1   94   85  HG12  HB3  0.51  
211  79  1   94   85  HG13  HB2  0.51  
212  79  1   94   85  HG13  HB3  0.51  
213  79  1   94   85  HG21  HB2  0.51  
214  79  1   94   85  HG21  HB3  0.51  
215  79  1   94   85  HG22  HB2  0.51  
216  79  1   94   85  HG22  HB3  0.51  
217  79  1   94   85  HG23  HB2  0.51  
218  79  1   94   85  HG23  HB3  0.51  
219  66  1  115  115  HD3   HG3  0.51  
220   8  1  114  114  HD2   HD3  0.50  
221   8  1  234  234  HD2   HD3  0.50  
222  78  1  202  203  HB    H    0.50  
223  61  1   19   20  HA    H    0.50  
224  61  1  151  152  HA    H    0.50  
225   8  1   42   42  HD2   HD3  0.49  
226  66  1  235  235  HD3   HG3  0.49  
227  46  1  233  233  HG21  H    0.49  
228  46  1  233  233  HG22  H    0.49  
229  46  1  233  233  HG23  H    0.49  
230  33  1  135  135  HG21  HA   0.49  
231  33  1  135  135  HG22  HA   0.49  
232  33  1  135  135  HG23  HA   0.49  
233  27  1   99  100  HB    H    0.49  
234  22  1   14   14  HD3   HG3  0.49  
235  22  1   86   86  HD3   HG3  0.49  
236   8  1   54   54  HD2   HD3  0.48  
237   8  1  150  150  HD2   HD3  0.48  
238  33  1   39   39  HG21  HA   0.48  
239  33  1   39   39  HG22  HA   0.48  
240  33  1   39   39  HG23  HA   0.48  
241  33  1  183  183  HG21  HA   0.48  
242  33  1  183  183  HG22  HA   0.48  
243  33  1  183  183  HG23  HA   0.48  
244  22  1  194  194  HD3   HG3  0.48  
245  70  1    8    8  HB2   H    0.47  
246  68  1   44   44  HB3   H    0.47  
247  68  1  152  152  HB3   H    0.47  
248  98  1  216  216  HB3   H    0.46  
249   8  1   78   78  HD2   HD3  0.46  
250  78  1   10   11  HB    H    0.46  
251  66  1  211  211  HD3   HG3  0.46  
252  58  1  126  125  HD3   HA   0.46  
253  31  1  123  131  HG11  HB3  0.46  
254  31  1  123  131  HG12  HB3  0.46  
255  31  1  123  131  HG13  HB3  0.46  
256  22  1    2    2  HD3   HG3  0.46  
257  22  1  122  122  HD3   HG3  0.46  
258  16  1   13   13  HB2   HD2  0.46  
259  16  1   13   13  HB3   HD2  0.46  
260  97  1  144  144  HB2   H    0.45  
261   8  1  222  222  HD2   HD3  0.45  
262  61  1   67   68  HA    H    0.45  
263  58  1   78   77  HD3   HA   0.45  
264  33  1   75   75  HG21  HA   0.45  
265  33  1   75   75  HG22  HA   0.45  
266  33  1   75   75  HG23  HA   0.45  
267  27  1  171  172  HB    H    0.45  
268  16  1   37   37  HB2   HD2  0.45  
269  16  1   37   37  HB3   HD2  0.45  
270   8  1  174  174  HD2   HD3  0.44  
271   8  1  186  186  HD2   HD3  0.44  
272  70  1  164  164  HB2   H    0.44  
273  66  1   55   55  HD3   HG3  0.44  
274  57  1  150  153  HA    H    0.44  
275  85  1  142  144  HG11  HG3  0.43  
276  85  1  142  144  HG12  HG3  0.43  
277  85  1  142  144  HG13  HG3  0.43  
278  85  1  142  144  HG21  HG3  0.43  
279  85  1  142  144  HG22  HG3  0.43  
280  85  1  142  144  HG23  HG3  0.43  
281  85  1  178  180  HG11  HG3  0.43  
282  85  1  178  180  HG12  HG3  0.43  
283  85  1  178  180  HG13  HG3  0.43  
284  85  1  178  180  HG21  HG3  0.43  
285  85  1  178  180  HG22  HG3  0.43  
286  85  1  178  180  HG23  HG3  0.43  
287  79  1  226  217  HG11  HB2  0.43  
288  79  1  226  217  HG11  HB3  0.43  
289  79  1  226  217  HG12  HB2  0.43  
290  79  1  226  217  HG12  HB3  0.43  
291  79  1  226  217  HG13  HB2  0.43  
292  79  1  226  217  HG13  HB3  0.43  
293  79  1  226  217  HG21  HB2  0.43  
294  79  1  226  217  HG21  HB3  0.43  
295  79  1  226  217  HG22  HB2  0.43  
296  79  1  226  217  HG22  HB3  0.43  
297  79  1  226  217  HG23  HB2  0.43  
298  79  1  226  217  HG23  HB3  0.43  
299  70  1   80   80  HB2   H    0.43  
300  70  1  104  104  HB2   H    0.43  
301  66  1   31   31  HD3   HG3  0.43  
302  61  1  175  176  HA    H    0.43  
303  57  1  126  129  HA    H    0.43  
304  46  1  221  221  HG21  H    0.43  
305  46  1  221  221  HG22  H    0.43  
306  46  1  221  221  HG23  H    0.43  
307  93  1  215  215  HB2   H    0.42  
308   8  1  210  210  HD2   HD3  0.42  
309  78  1   34   35  HB    H    0.42  
310  70  1  188  188  HB2   H    0.42  
311   7  1  186  187  HA    HD3  0.42  
312  66  1  103  103  HD3   HG3  0.42  
313  63  1  127  129  HD2   H    0.42  
314  59  1  162  161  HD2   HA   0.42  
315  22  1   50   50  HD3   HG3  0.42  
316  78  1  166  167  HB    H    0.41  
317  66  1    7    7  HD3   HG3  0.41  
318  66  1  175  175  HD3   HG3  0.41  
319  58  1  198  197  HD3   HA   0.41  
320  22  1   38   38  HD3   HG3  0.41  
321  93  1   11   11  HB2   H    0.40  
322  66  1  163  163  HD3   HG3  0.40  
323  27  1   63   64  HB    H    0.40  
324  22  1  206  206  HD3   HG3  0.40  
325  93  1   47   47  HB2   H    0.39  
326  57  1  102  105  HA    H    0.39  
327  48  1   29   30  HG21  HD2  0.39  
328  48  1   29   30  HG22  HD2  0.39  
329  48  1   29   30  HG23  HD2  0.39  
330  43  1  149  149  HD11  H    0.39  
331  43  1  149  149  HD12  H    0.39  
332  43  1  149  149  HD13  H    0.39  
333  68  1  176  176  HB3   H    0.38  
334  61  1   91   92  HA    H    0.38  
335  59  1   66   65  HD2   HA   0.38  
336  31  1  183  191  HG11  HB3  0.38  
337  31  1  183  191  HG12  HB3  0.38  
338  31  1  183  191  HG13  HB3  0.38  
339  71  1   80   80  HG2   H    0.37  
340  71  1   80   80  HG3   H    0.37  
341  33  1   63   63  HG21  HA   0.37  
342  33  1   63   63  HG22  HA   0.37  
343  33  1   63   63  HG23  HA   0.37  
344   3  1  124  125  HA    H    0.37  
345  20  1  110  111  HD2   H    0.37  
346  97  1  192  192  HB2   H    0.36  
347  91  1   83   83  HB3   H    0.36  
348  85  1  226  228  HG11  HG3  0.36  
349  85  1  226  228  HG12  HG3  0.36  
350  85  1  226  228  HG13  HG3  0.36  
351  85  1  226  228  HG21  HG3  0.36  
352  85  1  226  228  HG22  HG3  0.36  
353  85  1  226  228  HG23  HG3  0.36  
354  78  1  226  227  HB    H    0.36  
355  46  1  209  209  HG21  H    0.36  
356  46  1  209  209  HG22  H    0.36  
357  46  1  209  209  HG23  H    0.36  
358  31  1  207  215  HG11  HB3  0.36  
359  31  1  207  215  HG12  HB3  0.36  
360  31  1  207  215  HG13  HB3  0.36  
361  97  1  204  204  HB2   H    0.35  
362  77  1  190  190  HB    H    0.35  
363  70  1  128  128  HB2   H    0.35  
364  70  1  212  212  HB2   H    0.35  
365  16  1  157  157  HB2   HD2  0.35  
366  16  1  157  157  HB3   HD2  0.35  
367  97  1  228  228  HB2   H    0.34  
368  85  1   82   84  HG11  HG3  0.34  
369  85  1   82   84  HG12  HG3  0.34  
370  85  1   82   84  HG13  HG3  0.34  
371  85  1   82   84  HG21  HG3  0.34  
372  85  1   82   84  HG22  HG3  0.34  
373  85  1   82   84  HG23  HG3  0.34  
374  78  1  178  179  HB    H    0.34  
375  70  1   20   20  HB2   H    0.34  
376  70  1  140  140  HB2   H    0.34  
377  68  1   20   20  HB3   H    0.34  
378  68  1  140  140  HB3   H    0.34  
379  65  1  199  199  HD3   HG2  0.34  
380  45  1   29   29  HG12  H    0.34  
381  45  1   29   29  HG13  H    0.34  
382  44  1   29   29  HG12  H    0.34  
383  44  1   29   29  HG13  H    0.34  
384  43  1  173  173  HD11  H    0.34  
385  43  1  173  173  HD12  H    0.34  
386  43  1  173  173  HD13  H    0.34  
387  33  1  231  231  HG21  HA   0.34  
388  33  1  231  231  HG22  HA   0.34  
389  33  1  231  231  HG23  HA   0.34  
390  16  1   61   61  HB2   HD2  0.34  
391  16  1   61   61  HB3   HD2  0.34  
392  16  1   85   85  HB2   HD2  0.34  
393  16  1   85   85  HB3   HD2  0.34  
394  16  1  109  109  HB2   HD2  0.34  
395  16  1  109  109  HB3   HD2  0.34  
396  78  1   22   23  HB    H    0.33  
397  70  1   32   32  HB2   H    0.33  
398  58  1   54   53  HD3   HA   0.33  
399  45  1  113  113  HG12  H    0.33  
400  45  1  113  113  HG13  H    0.33  
401  44  1  113  113  HG12  H    0.33  
402  44  1  113  113  HG13  H    0.33  
403   3  1  100  101  HA    H    0.33  
404  16  1   25   25  HB2   HD2  0.33  
405  16  1   25   25  HB3   HD2  0.33  
406  16  1   49   49  HB2   HD2  0.33  
407  16  1   49   49  HB3   HD2  0.33  
408  12  1   10   10  HG11  HA   0.33  
409  12  1   10   10  HG12  HA   0.33  
410  12  1   10   10  HG13  HA   0.33  
411  12  1   10   10  HG21  HA   0.33  
412  12  1   10   10  HG22  HA   0.33  
413  12  1   10   10  HG23  HA   0.33  
414  91  1  227  227  HB3   H    0.32  
415  68  1  164  164  HB3   H    0.32  
416  37  1  148  148  HB3   H    0.32  
417  78  1  118  119  HB    H    0.31  
418  60  1  235  235  HA    HB2  0.31  
419  45  1   65   65  HG12  H    0.31  
420  45  1   65   65  HG13  H    0.31  
421  44  1   65   65  HG12  H    0.31  
422  44  1   65   65  HG13  H    0.31  
423  91  1  179  179  HB3   H    0.30  
424  78  1  154  155  HB    H    0.30  
425  63  1   31   33  HD2   H    0.30  
426  21  1  122  122  HD3   HB3  0.30  
427  58  1  174  173  HD3   HA   0.29  
428  27  1  195  196  HB    H    0.29  
429  16  1  205  205  HB2   HD2  0.29  
430  16  1  205  205  HB3   HD2  0.29  
431  11  1  190  191  HA    H    0.29  
432  78  1   46   47  HB    H    0.28  
433  71  1  224  224  HG2   H    0.28  
434  71  1  224  224  HG3   H    0.28  
435  60  1   19   19  HA    HB2  0.28  
436  60  1  163  163  HA    HB2  0.28  
437  59  1  234  233  HD2   HA   0.28  
438  31  1   99  107  HG11  HB3  0.28  
439  31  1   99  107  HG12  HB3  0.28  
440  31  1   99  107  HG13  HB3  0.28  
441  27  1   75   76  HB    H    0.28  
442  27  1   87   88  HB    H    0.28  
443  16  1   73   73  HB2   HD2  0.28  
444  16  1   73   73  HB3   HD2  0.28  
445  16  1  217  217  HB2   HD2  0.28  
446  16  1  217  217  HB3   HD2  0.28  
447  11  1  118  119  HA    H    0.28  
448  68  1  128  128  HB3   H    0.27  
449  60  1   79   79  HA    HB2  0.27  
450  60  1  139  139  HA    HB2  0.27  
451  58  1   42   41  HD3   HA   0.27  
452  57  1   30   33  HA    H    0.27  
453  27  1   51   52  HB    H    0.27  
454  16  1  121  121  HB2   HD2  0.27  
455  16  1  121  121  HB3   HD2  0.27  
456  16  1  181  181  HB2   HD2  0.27  
457  16  1  181  181  HB3   HD2  0.27  
458  91  1  239  239  HB3   H    0.26  
459  85  1   10   12  HG11  HG3  0.26  
460  85  1   10   12  HG12  HG3  0.26  
461  85  1   10   12  HG13  HG3  0.26  
462  85  1   10   12  HG21  HG3  0.26  
463  85  1   10   12  HG22  HG3  0.26  
464  85  1   10   12  HG23  HG3  0.26  
465  58  1   90   89  HD3   HA   0.26  
466  27  1    3    4  HB    H    0.26  
467  11  1   34   35  HA    H    0.26  
468  97  1   72   72  HB2   H    0.25  
469  93  1  227  227  HB2   H    0.25  
470  78  1   82   83  HB    H    0.25  
471  60  1   67   67  HA    HB2  0.25  
472  56  1  174  176  HA    H    0.25  
473   3  1   28   29  HA    H    0.25  
474   3  1  112  113  HA    H    0.25  
475  20  1  158  159  HD2   H    0.25  
476  16  1  169  169  HB2   HD2  0.25  
477  16  1  169  169  HB3   HD2  0.25  
478  13  1  179  180  HA    H    0.25  
479  97  1   84   84  HB2   H    0.24  
480  70  1   44   44  HB2   H    0.24  
481  70  1  116  116  HB2   H    0.24  
482  70  1  200  200  HB2   H    0.24  
483   2  1   27   28  HA    H    0.24  
484  13  1  119  120  HA    H    0.24  
485  13  1  167  168  HA    H    0.24  
486   6  1  138  139  HA    HD2  0.23  
487  59  1   30   29  HD2   HA   0.23  
488   3  1  196  197  HA    H    0.23  
489  16  1    1    1  HB2   HD2  0.23  
490  16  1    1    1  HB3   HD2  0.23  
491  16  1  145  145  HB2   HD2  0.23  
492  16  1  145  145  HB3   HD2  0.23  
493  12  1  226  226  HG11  HA   0.23  
494  12  1  226  226  HG12  HA   0.23  
495  12  1  226  226  HG13  HA   0.23  
496  12  1  226  226  HG21  HA   0.23  
497  12  1  226  226  HG22  HA   0.23  
498  12  1  226  226  HG23  HA   0.23  
499  97  1  108  108  HB2   H    0.22  
500  93  1   23   23  HB2   H    0.22  
501  78  1  142  143  HB    H    0.22  
502  70  1  152  152  HB2   H    0.22  
503  60  1   91   91  HA    HB2  0.22  
504  60  1  223  223  HA    HB2  0.22  
505  31  1  219  227  HG11  HB3  0.22  
506  31  1  219  227  HG12  HB3  0.22  
507  31  1  219  227  HG13  HB3  0.22  
508   2  1  123  124  HA    H    0.22  
509   2  1  159  160  HA    H    0.22  
510  63  1   55   57  HD2   H    0.21  
511  60  1  103  103  HA    HB2  0.21  
512  59  1  126  125  HD2   HA   0.21  
513  52  1    6    6  HA    HB2  0.21  
514  52  1  174  174  HA    HB2  0.21  
515   5  1  114  114  HA    HB3  0.21  
516  31  1   75   83  HG11  HB3  0.21  
517  31  1   75   83  HG12  HB3  0.21  
518  31  1   75   83  HG13  HB3  0.21  
519   3  1   64   65  HA    H    0.21  
520   3  1  136  137  HA    H    0.21  
521  27  1  123  124  HB    H    0.21  
522  13  1   11   12  HA    H    0.21  
523  13  1  239  240  HA    H    0.21  
524  12  1  214  214  HG11  HA   0.21  
525  12  1  214  214  HG12  HA   0.21  
526  12  1  214  214  HG13  HA   0.21  
527  12  1  214  214  HG21  HA   0.21  
528  12  1  214  214  HG22  HA   0.21  
529  12  1  214  214  HG23  HA   0.21  
530  85  1  154  156  HG11  HG3  0.20  
531  85  1  154  156  HG12  HG3  0.20  
532  85  1  154  156  HG13  HG3  0.20  
533  85  1  154  156  HG21  HG3  0.20  
534  85  1  154  156  HG22  HG3  0.20  
535  85  1  154  156  HG23  HG3  0.20  
536  78  1   58   59  HB    H    0.20  
537  60  1  175  175  HA    HB2  0.20  
538  20  1   26   27  HD2   H    0.20  
539  12  1  130  130  HG11  HA   0.20  
540  12  1  130  130  HG12  HA   0.20  
541  12  1  130  130  HG13  HA   0.20  
542  12  1  130  130  HG21  HA   0.20  
543  12  1  130  130  HG22  HA   0.20  
544  12  1  130  130  HG23  HA   0.20  
545  97  1   60   60  HB2   H    0.19  
546  97  1  156  156  HB2   H    0.19  
547  74  1  141  141  HE3   HA   0.19  
548  71  1  188  188  HG2   H    0.19  
549  71  1  188  188  HG3   H    0.19  
550  68  1    8    8  HB3   H    0.19  
551   6  1   78   79  HA    HD2  0.19  
552  58  1    6    5  HD3   HA   0.19  
553   3  1  148  149  HA    H    0.19  
554   2  1  207  208  HA    H    0.19  
555  12  1  190  190  HG11  HA   0.19  
556  12  1  190  190  HG12  HA   0.19  
557  12  1  190  190  HG13  HA   0.19  
558  12  1  190  190  HG21  HA   0.19  
559  12  1  190  190  HG22  HA   0.19  
560  12  1  190  190  HG23  HA   0.19  
561  76  1   58   58  HA    H    0.18  
562  74  1   45   45  HE3   HA   0.18  
563   5  1    6    6  HA    HB3  0.18  
564  45  1   53   53  HG12  H    0.18  
565  45  1   53   53  HG13  H    0.18  
566  44  1   53   53  HG12  H    0.18  
567  44  1   53   53  HG13  H    0.18  
568  16  1  133  133  HB2   HD2  0.18  
569  16  1  133  133  HB3   HD2  0.18  
570  16  1  193  193  HB2   HD2  0.18  
571  16  1  193  193  HB3   HD2  0.18  
572  13  1  131  132  HA    H    0.18  
573  11  1  106  107  HA    H    0.18  
574  97  1  168  168  HB2   H    0.17  
575  92  1   23   24  HB3   H    0.17  
576  76  1  118  118  HA    H    0.17  
577  74  1  165  165  HE3   HA   0.17  
578  73  1  117  117  HD3   H    0.17  
579  65  1  187  187  HD3   HG2  0.17  
580   6  1  222  223  HA    HD2  0.17  
581  52  1   42   42  HA    HB2  0.17  
582  45  1  125  125  HG12  H    0.17  
583  45  1  125  125  HG13  H    0.17  
584  44  1  125  125  HG12  H    0.17  
585  44  1  125  125  HG13  H    0.17  
586   3  1    4    5  HA    H    0.17  
587  27  1  111  112  HB    H    0.17  
588  20  1  218  219  HD2   H    0.17  
589   2  1   39   40  HA    H    0.17  
590  92  1   35   36  HB3   H    0.16  
591  78  1  238  239  HB    H    0.16  
592  60  1   43   43  HA    HB2  0.16  
593  56  1  150  152  HA    H    0.16  
594   3  1   40   41  HA    H    0.16  
595   3  1   76   77  HA    H    0.16  
596   3  1  172  173  HA    H    0.16  
597  21  1  182  182  HD3   HB3  0.16  
598   2  1  219  220  HA    H    0.16  
599  13  1   71   72  HA    H    0.16  
600  12  1   58   58  HG11  HA   0.16  
601  12  1   58   58  HG12  HA   0.16  
602  12  1   58   58  HG13  HA   0.16  
603  12  1   58   58  HG21  HA   0.16  
604  12  1   58   58  HG22  HA   0.16  
605  12  1   58   58  HG23  HA   0.16  
606  60  1    7    7  HA    HB2  0.15  
607  60  1  151  151  HA    HB2  0.15  
608  52  1  114  114  HA    HB2  0.15  
609  52  1  186  186  HA    HB2  0.15  
610  12  1  202  202  HG11  HA   0.15  
611  12  1  202  202  HG12  HA   0.15  
612  12  1  202  202  HG13  HA   0.15  
613  12  1  202  202  HG21  HA   0.15  
614  12  1  202  202  HG22  HA   0.15  
615  12  1  202  202  HG23  HA   0.15  
616  11  1   70   71  HA    H    0.15  
617  97  1  120  120  HB2   H    0.14  
618  93  1  179  179  HB2   H    0.14  
619  75  1    9    9  HG3   H    0.14  
620  65  1  211  211  HD3   HG2  0.14  
621   6  1  162  163  HA    HD2  0.14  
622   2  1   15   16  HA    H    0.14  
623  13  1   59   60  HA    H    0.14  
624  13  1   95   96  HA    H    0.14  
625  13  1  107  108  HA    H    0.14  
626  13  1  155  156  HA    H    0.14  
627  11  1  214  215  HA    H    0.14  
628  63  1  103  105  HD2   H    0.13  
629   6  1    6    7  HA    HD2  0.13  
630  59  1  102  101  HD2   HA   0.13  
631  57  1  162  165  HA    H    0.13  
632  45  1   89   89  HG12  H    0.13  
633  45  1   89   89  HG13  H    0.13  
634  44  1   89   89  HG12  H    0.13  
635  44  1   89   89  HG13  H    0.13  
636  39  1  160  160  HB2   H    0.13  
637  31  1  195  203  HG11  HB3  0.13  
638  31  1  195  203  HG12  HB3  0.13  
639  31  1  195  203  HG13  HB3  0.13  
640   3  1  232  233  HA    H    0.13  
641   2  1  183  184  HA    H    0.13  
642  13  1   23   24  HA    H    0.13  
643  13  1  191  192  HA    H    0.13  
644  12  1   70   70  HG11  HA   0.13  
645  12  1   70   70  HG12  HA   0.13  
646  12  1   70   70  HG13  HA   0.13  
647  12  1   70   70  HG21  HA   0.13  
648  12  1   70   70  HG22  HA   0.13  
649  12  1   70   70  HG23  HA   0.13  
650  74  1   21   21  HE3   HA   0.12  
651  60  1  115  115  HA    HB2  0.12  
652   6  1  102  103  HA    HD2  0.12  
653   6  1  126  127  HA    HD2  0.12  
654  45  1  137  137  HG12  H    0.12  
655  45  1  137  137  HG13  H    0.12  
656  44  1  137  137  HG12  H    0.12  
657  44  1  137  137  HG13  H    0.12  
658   2  1    3    4  HA    H    0.12  
659  12  1  154  154  HG11  HA   0.12  
660  12  1  154  154  HG12  HA   0.12  
661  12  1  154  154  HG13  HA   0.12  
662  12  1  154  154  HG21  HA   0.12  
663  12  1  154  154  HG22  HA   0.12  
664  12  1  154  154  HG23  HA   0.12  
665  93  1   35   35  HB2   H    0.11  
666  92  1   11   12  HB3   H    0.11  
667  85  1  130  132  HG11  HG3  0.11  
668  85  1  130  132  HG12  HG3  0.11  
669  85  1  130  132  HG13  HG3  0.11  
670  85  1  130  132  HG21  HG3  0.11  
671  85  1  130  132  HG22  HG3  0.11  
672  85  1  130  132  HG23  HG3  0.11  
673  64  1  223  223  HD3   HB3  0.11  
674  60  1   55   55  HA    HB2  0.11  
675   6  1   42   43  HA    HD2  0.11  
676  13  1  227  228  HA    H    0.11  
677  11  1   22   23  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  chemicalshiftanalysis  2.33                                                                  Y  
3  panav                  "Wang et al. (2010)"                                                  Y  
4  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
5  restraintsanalysis     v1.2                                                                  Y  
6  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
