data_nef_2m2h

save_entry_information
   _nef_nmr_meta_data.sf_category     nef_nmr_meta_data
   _nef_nmr_meta_data.sf_framecode    entry_information
   _nef_nmr_meta_data.format_name     nmr_exchange_format
   _nef_nmr_meta_data.format_version  1.1

save_

save_assembly
   _nef_molecular_system.sf_category   nef_molecular_system
   _nef_molecular_system.sf_framecode  assembly

   loop_
      _nef_sequence.index
      _nef_sequence.chain_code
      _nef_sequence.sequence_code
      _nef_sequence.residue_name
      _nef_sequence.linking
      _nef_sequence.residue_variant
      _nef_sequence.cis_peptide

     1    A   1    GLY   cyclic   .     false    
     2    A   2    VAL   middle   .     .        
     3    A   3    ABA   middle   .     .        
     4    A   4    ARG   middle   .     .        
     5    A   5    CYS   middle   -HG   .        
     6    A   6    VAL   middle   .     .        
     7    A   7    ABA   middle   .     .        
     8    A   8    ARG   middle   .     .        
     9    A   9    ARG   middle   .     .        
     10   A   10   GLY   middle   .     false    
     11   A   11   VAL   middle   .     .        
     12   A   12   ABA   middle   .     .        
     13   A   13   ARG   middle   .     .        
     14   A   14   CYS   middle   -HG   .        
     15   A   15   VAL   middle   .     .        
     16   A   16   ABA   middle   .     .        
     17   A   17   ARG   middle   .     .        
     18   A   18   ARG   cyclic   .     .        

   stop_

   loop_
      _nef_covalent_links.chain_code_1
      _nef_covalent_links.sequence_code_1
      _nef_covalent_links.residue_name_1
      _nef_covalent_links.atom_name_1
      _nef_covalent_links.chain_code_2
      _nef_covalent_links.sequence_code_2
      _nef_covalent_links.residue_name_2
      _nef_covalent_links.atom_name_2

     A   5    CYS   SG   A   14   CYS   SG    
     A   1    GLY   N    A   18   ARG   C     
     A   2    VAL   C    A   3    ABA   N     
     A   3    ABA   C    A   4    ARG   N     
     A   6    VAL   C    A   7    ABA   N     
     A   7    ABA   C    A   8    ARG   N     
     A   11   VAL   C    A   12   ABA   N     
     A   12   ABA   C    A   13   ARG   N     
     A   15   VAL   C    A   16   ABA   N     
     A   16   ABA   C    A   17   ARG   N     

   stop_

save_

save_assigned_chem_shift_list_1
   _nef_chemical_shift_list.sf_category   nef_chemical_shift_list
   _nef_chemical_shift_list.sf_framecode  assigned_chem_shift_list_1

   loop_
      _nef_chemical_shift.chain_code
      _nef_chemical_shift.sequence_code
      _nef_chemical_shift.residue_name
      _nef_chemical_shift.atom_name
      _nef_chemical_shift.element
      _nef_chemical_shift.isotope_number
      _nef_chemical_shift.value
      _nef_chemical_shift.value_uncertainty

     A   1    GLY   HA2    H   1    4.143    0.003    
     A   1    GLY   HA3    H   1    3.548    0.003    
     A   1    GLY   H1     H   1    8.487    0.005    
     A   1    GLY   CA     C   13   45.271   0.000    
     A   2    VAL   H      H   1    7.724    0.002    
     A   2    VAL   HA     H   1    4.240    0.005    
     A   2    VAL   HB     H   1    2.066    0.006    
     A   2    VAL   HG1%   H   1    0.918    0.000    
     A   2    VAL   HG2%   H   1    0.918    0.000    
     A   2    VAL   CA     C   13   61.651   0.000    
     A   2    VAL   CB     C   13   33.894   0.000    
     A   2    VAL   CG1    C   13   20.943   0.000    
     A   2    VAL   CG2    C   13   20.943   0.000    
     A   3    ABA   CA     C   13   57.680   0.000    
     A   3    ABA   CB     C   13   27.559   0.013    
     A   3    ABA   H      H   1    8.858    0.002    
     A   3    ABA   HA     H   1    4.606    0.002    
     A   3    ABA   HB2    H   1    1.656    0.004    
     A   3    ABA   HB3    H   1    1.740    0.002    
     A   3    ABA   HG%    H   1    0.817    0.001    
     A   4    ARG   H      H   1    8.644    0.001    
     A   4    ARG   HA     H   1    4.692    0.001    
     A   4    ARG   HB2    H   1    1.816    0.000    
     A   4    ARG   HB3    H   1    1.816    0.000    
     A   4    ARG   HG2    H   1    1.656    0.002    
     A   4    ARG   HG3    H   1    1.596    0.002    
     A   4    ARG   HD2    H   1    3.201    0.000    
     A   4    ARG   HD3    H   1    3.201    0.000    
     A   4    ARG   HE     H   1    7.192    0.000    
     A   4    ARG   CA     C   13   54.848   0.000    
     A   4    ARG   CB     C   13   32.416   0.000    
     A   4    ARG   CG     C   13   27.202   0.000    
     A   4    ARG   CD     C   13   43.140   0.000    
     A   5    CYS   H      H   1    9.053    0.000    
     A   5    CYS   HA     H   1    5.506    0.004    
     A   5    CYS   HB2    H   1    2.626    0.003    
     A   5    CYS   HB3    H   1    3.026    0.008    
     A   5    CYS   CA     C   13   55.473   0.000    
     A   5    CYS   CB     C   13   46.967   0.019    
     A   6    VAL   H      H   1    8.656    0.002    
     A   6    VAL   HA     H   1    4.350    0.003    
     A   6    VAL   HB     H   1    2.018    0.005    
     A   6    VAL   HG1%   H   1    0.920    0.000    
     A   6    VAL   HG2%   H   1    0.920    0.000    
     A   6    VAL   CA     C   13   60.916   0.000    
     A   6    VAL   CB     C   13   35.341   0.000    
     A   6    VAL   CG1    C   13   20.462   0.000    
     A   6    VAL   CG2    C   13   20.462   0.000    
     A   7    ABA   CA     C   13   56.955   0.000    
     A   7    ABA   CB     C   13   27.724   0.014    
     A   7    ABA   H      H   1    8.786    0.002    
     A   7    ABA   HA     H   1    4.809    0.004    
     A   7    ABA   HB2    H   1    1.569    0.002    
     A   7    ABA   HB3    H   1    1.681    0.000    
     A   7    ABA   HG%    H   1    0.705    0.003    
     A   8    ARG   H      H   1    8.485    0.002    
     A   8    ARG   HA     H   1    4.590    0.001    
     A   8    ARG   HB2    H   1    1.764    0.000    
     A   8    ARG   HB3    H   1    1.764    0.000    
     A   8    ARG   HG2    H   1    1.527    0.001    
     A   8    ARG   HG3    H   1    1.649    0.002    
     A   8    ARG   HD2    H   1    3.221    0.000    
     A   8    ARG   HD3    H   1    3.221    0.000    
     A   8    ARG   HE     H   1    7.240    0.000    
     A   8    ARG   CA     C   13   55.142   0.000    
     A   8    ARG   CB     C   13   32.503   0.000    
     A   8    ARG   CG     C   13   27.318   0.003    
     A   8    ARG   CD     C   13   43.215   0.000    
     A   9    ARG   H      H   1    9.525    0.001    
     A   9    ARG   HA     H   1    3.928    0.003    
     A   9    ARG   HB2    H   1    1.829    0.005    
     A   9    ARG   HB3    H   1    2.044    0.003    
     A   9    ARG   HG2    H   1    1.627    0.000    
     A   9    ARG   HG3    H   1    1.627    0.000    
     A   9    ARG   HD2    H   1    3.222    0.000    
     A   9    ARG   HD3    H   1    3.222    0.000    
     A   9    ARG   HE     H   1    7.224    0.000    
     A   9    ARG   CA     C   13   56.907   0.000    
     A   9    ARG   CB     C   13   28.198   0.017    
     A   9    ARG   CD     C   13   43.350   0.000    
     A   10   GLY   H      H   1    8.487    0.005    
     A   10   GLY   HA2    H   1    4.143    0.003    
     A   10   GLY   HA3    H   1    3.548    0.003    
     A   10   GLY   CA     C   13   45.271   0.000    
     A   11   VAL   H      H   1    7.724    0.002    
     A   11   VAL   HA     H   1    4.240    0.005    
     A   11   VAL   HB     H   1    2.066    0.006    
     A   11   VAL   HG1%   H   1    0.918    0.000    
     A   11   VAL   HG2%   H   1    0.918    0.000    
     A   11   VAL   CA     C   13   61.651   0.000    
     A   11   VAL   CB     C   13   33.894   0.000    
     A   11   VAL   CG1    C   13   20.943   0.000    
     A   11   VAL   CG2    C   13   20.943   0.000    
     A   12   ABA   CA     C   13   57.680   0.000    
     A   12   ABA   CB     C   13   27.559   0.013    
     A   12   ABA   H      H   1    8.858    0.002    
     A   12   ABA   HA     H   1    4.606    0.002    
     A   12   ABA   HB2    H   1    1.656    0.004    
     A   12   ABA   HB3    H   1    1.740    0.002    
     A   12   ABA   HG%    H   1    0.817    0.001    
     A   13   ARG   H      H   1    8.644    0.001    
     A   13   ARG   HA     H   1    4.692    0.001    
     A   13   ARG   HB2    H   1    1.816    0.000    
     A   13   ARG   HB3    H   1    1.816    0.000    
     A   13   ARG   HG2    H   1    1.656    0.002    
     A   13   ARG   HG3    H   1    1.596    0.002    
     A   13   ARG   HD2    H   1    3.201    0.000    
     A   13   ARG   HD3    H   1    3.201    0.000    
     A   13   ARG   HE     H   1    7.192    0.000    
     A   13   ARG   CA     C   13   54.848   0.000    
     A   13   ARG   CB     C   13   32.416   0.000    
     A   13   ARG   CG     C   13   27.202   0.000    
     A   13   ARG   CD     C   13   43.140   0.000    
     A   14   CYS   H      H   1    9.053    0.000    
     A   14   CYS   HA     H   1    5.506    0.004    
     A   14   CYS   HB2    H   1    2.626    0.003    
     A   14   CYS   HB3    H   1    3.026    0.008    
     A   14   CYS   CA     C   13   55.473   0.000    
     A   14   CYS   CB     C   13   46.967   0.019    
     A   15   VAL   H      H   1    8.656    0.002    
     A   15   VAL   HA     H   1    4.350    0.003    
     A   15   VAL   HB     H   1    2.018    0.005    
     A   15   VAL   HG1%   H   1    0.920    0.000    
     A   15   VAL   HG2%   H   1    0.920    0.000    
     A   15   VAL   CA     C   13   60.916   0.000    
     A   15   VAL   CB     C   13   35.341   0.000    
     A   15   VAL   CG1    C   13   20.462   0.000    
     A   15   VAL   CG2    C   13   20.462   0.000    
     A   16   ABA   CA     C   13   56.955   0.000    
     A   16   ABA   CB     C   13   27.724   0.014    
     A   16   ABA   H      H   1    8.786    0.002    
     A   16   ABA   HA     H   1    4.809    0.004    
     A   16   ABA   HB2    H   1    1.569    0.002    
     A   16   ABA   HB3    H   1    1.681    0.000    
     A   16   ABA   HG%    H   1    0.705    0.003    
     A   17   ARG   H      H   1    8.485    0.002    
     A   17   ARG   HA     H   1    4.590    0.001    
     A   17   ARG   HB2    H   1    1.764    0.000    
     A   17   ARG   HB3    H   1    1.764    0.000    
     A   17   ARG   HG2    H   1    1.527    0.001    
     A   17   ARG   HG3    H   1    1.649    0.002    
     A   17   ARG   HD2    H   1    3.221    0.000    
     A   17   ARG   HD3    H   1    3.221    0.000    
     A   17   ARG   HE     H   1    7.240    0.000    
     A   17   ARG   CA     C   13   55.142   0.000    
     A   17   ARG   CB     C   13   32.503   0.000    
     A   17   ARG   CG     C   13   27.318   0.003    
     A   17   ARG   CD     C   13   43.215   0.000    
     A   18   ARG   H      H   1    9.525    0.001    
     A   18   ARG   HA     H   1    3.928    0.003    
     A   18   ARG   HB2    H   1    1.829    0.005    
     A   18   ARG   HB3    H   1    2.044    0.003    
     A   18   ARG   HG2    H   1    1.627    0.000    
     A   18   ARG   HG3    H   1    1.627    0.000    
     A   18   ARG   HD2    H   1    3.222    0.000    
     A   18   ARG   HD3    H   1    3.222    0.000    
     A   18   ARG   HE     H   1    7.224    0.000    
     A   18   ARG   CA     C   13   56.907   0.000    
     A   18   ARG   CB     C   13   28.198   0.017    
     A   18   ARG   CD     C   13   43.350   0.000    

   stop_

save_

save_XPLOR-NIH/CNS_distance_restraints_1
   _nef_distance_restraint_list.sf_category       nef_distance_restraint_list
   _nef_distance_restraint_list.sf_framecode      XPLOR-NIH/CNS_distance_restraints_1
   _nef_distance_restraint_list.restraint_origin  noe
   _nef_distance_restraint_list.potential_type    square-well-parabolic

   loop_
      _nef_distance_restraint.index
      _nef_distance_restraint.restraint_id
      _nef_distance_restraint.restraint_combination_id
      _nef_distance_restraint.chain_code_1
      _nef_distance_restraint.sequence_code_1
      _nef_distance_restraint.residue_name_1
      _nef_distance_restraint.atom_name_1
      _nef_distance_restraint.chain_code_2
      _nef_distance_restraint.sequence_code_2
      _nef_distance_restraint.residue_name_2
      _nef_distance_restraint.atom_name_2
      _nef_distance_restraint.weight
      _nef_distance_restraint.target_value
      _nef_distance_restraint.target_value_uncertainty
      _nef_distance_restraint.lower_linear_limit
      _nef_distance_restraint.lower_limit
      _nef_distance_restraint.upper_limit
      _nef_distance_restraint.upper_linear_limit

     1     1     .   A   10   GLY   H      A   10   GLY   HA3    1.0   2.24    .   .   1.80   2.68   .    
     2     2     .   A   10   GLY   H      A   10   GLY   HA2    1.0   2.24    .   .   1.80   2.68   .    
     3     3     .   A   11   VAL   H      A   11   VAL   HB     1.0   2.58    .   .   1.80   3.36   .    
     4     4     .   A   12   ABA   H      A   12   ABA   HB3    1.0   2.55    .   .   1.8    3.3    .    
     5     5     .   A   12   ABA   H      A   12   ABA   HB2    1.0   2.55    .   .   1.8    3.3    .    
     6     6     .   A   5    CYS   H      A   5    CYS   HB2    1.0   2.765   .   .   1.80   3.73   .    
     7     7     .   A   6    VAL   H      A   6    VAL   HB     1.0   2.505   .   .   1.80   3.21   .    
     8     8     .   A   7    ABA   H      A   7    ABA   HB3    1.0   2.72    .   .   1.80   3.64   .    
     9     9     .   A   7    ABA   H      A   7    ABA   HB2    1.0   2.72    .   .   1.80   3.64   .    
     10    10    .   A   9    ARG   H      A   9    ARG   HA     1.0   2.195   .   .   1.80   2.59   .    
     11    11    .   A   9    ARG   H      A   9    ARG   HB2    1.0   2.97    .   .   1.80   4.14   .    
     12    12    .   A   9    ARG   H      A   9    ARG   HB3    1.0   2.92    .   .   1.80   4.04   .    
     13    13    .   A   8    ARG   H      A   11   VAL   H      1.0   2.91    .   .   2.10   3.72   .    
     14    14    .   A   10   GLY   H      A   11   VAL   H      1.0   2.425   .   .   1.80   3.05   .    
     15    15    .   A   9    ARG   HA     A   10   GLY   H      1.0   2.225   .   .   1.80   2.65   .    
     16    16    .   A   8    ARG   H      A   11   VAL   HB     1.0   2.83    .   .   1.80   3.86   .    
     17    17    .   A   11   VAL   HA     A   12   ABA   H      1.0   2.1     .   .   1.8    2.4    .    
     18    18    .   A   12   ABA   HA     A   13   ARG   H      1.0   2.195   .   .   1.80   2.59   .    
     19    19    .   A   5    CYS   HA     A   6    VAL   H      1.0   2.225   .   .   1.80   2.65   .    
     20    20    .   A   7    ABA   HA     A   13   ARG   H      1.0   2.97    .   .   1.80   4.14   .    
     21    21    .   A   5    CYS   H      A   4    ARG   HA     1.0   2.395   .   .   1.80   2.99   .    
     22    22    .   A   5    CYS   H      A   4    ARG   H      1.0   3.65    .   .   1.8    5.5    .    
     23    23    .   A   5    CYS   HB2    A   6    VAL   H      1.0   3.0     .   .   1.8    4.2    .    
     24    24    .   A   5    CYS   HB3    A   6    VAL   H      1.0   2.595   .   .   1.80   3.39   .    
     25    25    .   A   5    CYS   HA     A   5    CYS   HB3    1.0   2.365   .   .   1.80   2.93   .    
     26    26    .   A   6    VAL   HA     A   7    ABA   H      1.0   2.145   .   .   1.80   2.49   .    
     27    27    .   A   6    VAL   HB     A   7    ABA   H      1.0   2.845   .   .   1.80   3.89   .    
     28    28    .   A   7    ABA   HA     A   8    ARG   H      1.0   2.38    .   .   1.80   2.96   .    
     29    29    .   A   8    ARG   HA     A   9    ARG   H      1.0   2.145   .   .   1.80   2.49   .    
     30    30    .   A   8    ARG   HB2    A   9    ARG   H      1.0   3.44    .   .   1.80   5.08   .    
     31    30    .   A   8    ARG   HB3    A   9    ARG   H      1.0   3.44    .   .   1.80   5.08   .    
     32    31    .   A   9    ARG   H      A   10   GLY   H      1.0   2.505   .   .   1.80   3.21   .    
     33    32    .   A   9    ARG   HA     A   9    ARG   HB2    1.0   2.335   .   .   1.80   2.87   .    
     34    33    .   A   13   ARG   H      A   13   ARG   HD2    1.0   4.09    .   .   1.80   6.38   .    
     35    33    .   A   13   ARG   H      A   13   ARG   HD3    1.0   4.09    .   .   1.80   6.38   .    
     36    34    .   A   8    ARG   H      A   8    ARG   HD2    1.0   4.09    .   .   1.80   6.38   .    
     37    34    .   A   8    ARG   H      A   8    ARG   HD3    1.0   4.09    .   .   1.80   6.38   .    
     38    35    .   A   9    ARG   H      A   9    ARG   HD2    1.0   4.09    .   .   1.80   6.38   .    
     39    35    .   A   9    ARG   H      A   9    ARG   HD3    1.0   4.09    .   .   1.80   6.38   .    
     40    36    .   A   9    ARG   H      A   9    ARG   HG2    1.0   3.795   .   .   1.80   5.79   .    
     41    36    .   A   9    ARG   H      A   9    ARG   HG3    1.0   3.795   .   .   1.80   5.79   .    
     42    37    .   A   5    CYS   H      A   4    ARG   HB2    1.0   4.09    .   .   1.80   6.38   .    
     43    37    .   A   5    CYS   H      A   4    ARG   HB3    1.0   4.09    .   .   1.80   6.38   .    
     44    38    .   A   11   VAL   H      A   11   VAL   HG1%   1.0   4.375   .   .   1.80   6.95   .    
     45    38    .   A   11   VAL   H      A   11   VAL   HG2%   1.0   4.375   .   .   1.80   6.95   .    
     46    39    .   A   6    VAL   H      A   6    VAL   HG1%   1.0   4.28    .   .   1.80   6.76   .    
     47    39    .   A   6    VAL   H      A   6    VAL   HG2%   1.0   4.28    .   .   1.80   6.76   .    
     48    40    .   A   12   ABA   H      A   12   ABA   HG%    1.0   4.16    .   .   1.80   6.52   .    
     49    41    .   A   7    ABA   H      A   7    ABA   HG%    1.0   4.13    .   .   1.80   6.46   .    
     50    42    .   A   10   GLY   H      A   11   VAL   HG1%   1.0   4.7     .   .   1.8    7.6    .    
     51    42    .   A   10   GLY   H      A   11   VAL   HG2%   1.0   4.7     .   .   1.8    7.6    .    
     52    43    .   A   7    ABA   HG%    A   11   VAL   H      1.0   4.16    .   .   1.80   6.52   .    
     53    44    .   A   11   VAL   HG1%   A   12   ABA   H      1.0   4.33    .   .   1.80   6.86   .    
     54    44    .   A   11   VAL   HG2%   A   12   ABA   H      1.0   4.33    .   .   1.80   6.86   .    
     55    45    .   A   12   ABA   HG%    A   13   ARG   H      1.0   3.385   .   .   1.80   4.97   .    
     56    46    .   A   5    CYS   HB2    A   12   ABA   HG%    1.0   4.46    .   .   2.10   6.82   .    
     57    47    .   A   5    CYS   HB3    A   12   ABA   HG%    1.0   4.16    .   .   1.80   6.52   .    
     58    48    .   A   6    VAL   H      A   12   ABA   HG%    1.0   3.745   .   .   2.10   5.39   .    
     59    49    .   A   7    ABA   H      A   11   VAL   HG1%   1.0   4.67    .   .   1.80   7.54   .    
     60    49    .   A   7    ABA   H      A   11   VAL   HG2%   1.0   4.67    .   .   1.80   7.54   .    
     61    50    .   A   7    ABA   HG%    A   8    ARG   H      1.0   3.15    .   .   1.8    4.5    .    
     62    51    .   A   7    ABA   H      A   7    ABA   HB2    1.0   2.46    .   .   1.80   3.12   .    
     63    51    .   A   7    ABA   H      A   7    ABA   HB3    1.0   2.46    .   .   1.80   3.12   .    
     64    52    .   A   7    ABA   HG%    A   10   GLY   HA2    1.0   4.045   .   .   1.80   6.29   .    
     65    52    .   A   7    ABA   HG%    A   10   GLY   HA3    1.0   4.045   .   .   1.80   6.29   .    
     66    53    .   A   8    ARG   H      A   8    ARG   HG2    1.0   2.975   .   .   1.80   4.15   .    
     67    53    .   A   8    ARG   H      A   8    ARG   HG3    1.0   2.975   .   .   1.80   4.15   .    
     68    54    .   A   12   ABA   H      A   12   ABA   HB2    1.0   2.34    .   .   1.80   2.88   .    
     69    54    .   A   12   ABA   H      A   12   ABA   HB3    1.0   2.34    .   .   1.80   2.88   .    
     70    55    .   A   13   ARG   H      A   13   ARG   HG2    1.0   3.175   .   .   1.80   4.55   .    
     71    55    .   A   13   ARG   H      A   13   ARG   HG3    1.0   3.175   .   .   1.80   4.55   .    
     72    56    .   A   1    GLY   H      A   1    GLY   HA3    1.0   2.24    .   .   1.80   2.68   .    
     73    57    .   A   1    GLY   H      A   1    GLY   HA2    1.0   2.24    .   .   1.80   2.68   .    
     74    58    .   A   2    VAL   H      A   2    VAL   HB     1.0   2.58    .   .   1.80   3.36   .    
     75    59    .   A   3    ABA   H      A   3    ABA   HB3    1.0   2.55    .   .   1.8    3.3    .    
     76    60    .   A   3    ABA   H      A   3    ABA   HB2    1.0   2.55    .   .   1.8    3.3    .    
     77    61    .   A   14   CYS   H      A   14   CYS   HB2    1.0   2.765   .   .   1.80   3.73   .    
     78    62    .   A   15   VAL   H      A   15   VAL   HB     1.0   2.505   .   .   1.80   3.21   .    
     79    63    .   A   16   ABA   H      A   16   ABA   HB3    1.0   2.72    .   .   1.80   3.64   .    
     80    64    .   A   16   ABA   H      A   16   ABA   HB2    1.0   2.72    .   .   1.80   3.64   .    
     81    65    .   A   18   ARG   H      A   18   ARG   HA     1.0   2.195   .   .   1.80   2.59   .    
     82    66    .   A   18   ARG   H      A   18   ARG   HB2    1.0   2.97    .   .   1.80   4.14   .    
     83    67    .   A   18   ARG   H      A   18   ARG   HB3    1.0   2.92    .   .   1.80   4.04   .    
     84    68    .   A   17   ARG   H      A   2    VAL   H      1.0   2.91    .   .   2.10   3.72   .    
     85    69    .   A   1    GLY   H      A   2    VAL   H      1.0   2.425   .   .   1.80   3.05   .    
     86    70    .   A   18   ARG   HA     A   1    GLY   H      1.0   2.225   .   .   1.80   2.65   .    
     87    71    .   A   17   ARG   H      A   2    VAL   HB     1.0   2.83    .   .   1.80   3.86   .    
     88    72    .   A   2    VAL   HA     A   3    ABA   H      1.0   2.1     .   .   1.8    2.4    .    
     89    73    .   A   3    ABA   HA     A   4    ARG   H      1.0   2.195   .   .   1.80   2.59   .    
     90    74    .   A   14   CYS   HA     A   15   VAL   H      1.0   2.225   .   .   1.80   2.65   .    
     91    75    .   A   16   ABA   HA     A   4    ARG   H      1.0   2.97    .   .   1.80   4.14   .    
     92    76    .   A   14   CYS   H      A   13   ARG   HA     1.0   2.395   .   .   1.80   2.99   .    
     93    77    .   A   14   CYS   H      A   13   ARG   H      1.0   3.65    .   .   1.8    5.5    .    
     94    78    .   A   14   CYS   HB2    A   15   VAL   H      1.0   3.0     .   .   1.8    4.2    .    
     95    79    .   A   14   CYS   HB3    A   15   VAL   H      1.0   2.595   .   .   1.80   3.39   .    
     96    80    .   A   14   CYS   HA     A   14   CYS   HB3    1.0   2.365   .   .   1.80   2.93   .    
     97    81    .   A   15   VAL   HA     A   16   ABA   H      1.0   2.145   .   .   1.80   2.49   .    
     98    82    .   A   15   VAL   HB     A   16   ABA   H      1.0   2.845   .   .   1.80   3.89   .    
     99    83    .   A   16   ABA   HA     A   17   ARG   H      1.0   2.38    .   .   1.80   2.96   .    
     100   84    .   A   17   ARG   HA     A   18   ARG   H      1.0   2.145   .   .   1.80   2.49   .    
     101   85    .   A   17   ARG   HB2    A   18   ARG   H      1.0   3.44    .   .   1.80   5.08   .    
     102   85    .   A   17   ARG   HB3    A   18   ARG   H      1.0   3.44    .   .   1.80   5.08   .    
     103   86    .   A   18   ARG   H      A   1    GLY   H      1.0   2.505   .   .   1.80   3.21   .    
     104   87    .   A   18   ARG   HA     A   18   ARG   HB2    1.0   2.335   .   .   1.80   2.87   .    
     105   88    .   A   4    ARG   H      A   4    ARG   HD2    1.0   4.09    .   .   1.80   6.38   .    
     106   88    .   A   4    ARG   H      A   4    ARG   HD3    1.0   4.09    .   .   1.80   6.38   .    
     107   89    .   A   17   ARG   H      A   17   ARG   HD2    1.0   4.09    .   .   1.80   6.38   .    
     108   89    .   A   17   ARG   H      A   17   ARG   HD3    1.0   4.09    .   .   1.80   6.38   .    
     109   90    .   A   18   ARG   H      A   18   ARG   HD2    1.0   4.09    .   .   1.80   6.38   .    
     110   90    .   A   18   ARG   H      A   18   ARG   HD3    1.0   4.09    .   .   1.80   6.38   .    
     111   91    .   A   18   ARG   H      A   18   ARG   HG2    1.0   3.795   .   .   1.80   5.79   .    
     112   91    .   A   18   ARG   H      A   18   ARG   HG3    1.0   3.795   .   .   1.80   5.79   .    
     113   92    .   A   14   CYS   H      A   13   ARG   HB2    1.0   4.09    .   .   1.80   6.38   .    
     114   92    .   A   14   CYS   H      A   13   ARG   HB3    1.0   4.09    .   .   1.80   6.38   .    
     115   93    .   A   2    VAL   H      A   2    VAL   HG1%   1.0   4.375   .   .   1.80   6.95   .    
     116   93    .   A   2    VAL   H      A   2    VAL   HG2%   1.0   4.375   .   .   1.80   6.95   .    
     117   94    .   A   15   VAL   H      A   15   VAL   HG1%   1.0   4.28    .   .   1.80   6.76   .    
     118   94    .   A   15   VAL   H      A   15   VAL   HG2%   1.0   4.28    .   .   1.80   6.76   .    
     119   95    .   A   3    ABA   H      A   3    ABA   HG%    1.0   4.16    .   .   1.80   6.52   .    
     120   96    .   A   16   ABA   H      A   16   ABA   HG%    1.0   4.13    .   .   1.80   6.46   .    
     121   97    .   A   1    GLY   H      A   2    VAL   HG1%   1.0   4.7     .   .   1.8    7.6    .    
     122   97    .   A   1    GLY   H      A   2    VAL   HG2%   1.0   4.7     .   .   1.8    7.6    .    
     123   98    .   A   16   ABA   HG%    A   2    VAL   H      1.0   4.16    .   .   1.80   6.52   .    
     124   99    .   A   2    VAL   HG1%   A   3    ABA   H      1.0   4.33    .   .   1.80   6.86   .    
     125   99    .   A   2    VAL   HG2%   A   3    ABA   H      1.0   4.33    .   .   1.80   6.86   .    
     126   100   .   A   3    ABA   HG%    A   4    ARG   H      1.0   3.385   .   .   1.80   4.97   .    
     127   101   .   A   14   CYS   HB2    A   3    ABA   HG%    1.0   4.46    .   .   2.10   6.82   .    
     128   102   .   A   14   CYS   HB3    A   3    ABA   HG%    1.0   4.16    .   .   1.80   6.52   .    
     129   103   .   A   15   VAL   H      A   3    ABA   HG%    1.0   3.745   .   .   2.10   5.39   .    
     130   104   .   A   16   ABA   H      A   2    VAL   HG1%   1.0   4.67    .   .   1.80   7.54   .    
     131   104   .   A   16   ABA   H      A   2    VAL   HG2%   1.0   4.67    .   .   1.80   7.54   .    
     132   105   .   A   16   ABA   HG%    A   17   ARG   H      1.0   3.15    .   .   1.8    4.5    .    
     133   106   .   A   16   ABA   H      A   16   ABA   HB2    1.0   2.46    .   .   1.80   3.12   .    
     134   106   .   A   16   ABA   H      A   16   ABA   HB3    1.0   2.46    .   .   1.80   3.12   .    
     135   107   .   A   16   ABA   HG%    A   1    GLY   HA2    1.0   4.045   .   .   1.80   6.29   .    
     136   107   .   A   16   ABA   HG%    A   1    GLY   HA3    1.0   4.045   .   .   1.80   6.29   .    
     137   108   .   A   17   ARG   H      A   17   ARG   HG2    1.0   2.975   .   .   1.80   4.15   .    
     138   108   .   A   17   ARG   H      A   17   ARG   HG3    1.0   2.975   .   .   1.80   4.15   .    
     139   109   .   A   3    ABA   H      A   3    ABA   HB2    1.0   2.34    .   .   1.80   2.88   .    
     140   109   .   A   3    ABA   H      A   3    ABA   HB3    1.0   2.34    .   .   1.80   2.88   .    
     141   110   .   A   4    ARG   H      A   4    ARG   HG2    1.0   3.175   .   .   1.80   4.55   .    
     142   110   .   A   4    ARG   H      A   4    ARG   HG3    1.0   3.175   .   .   1.80   4.55   .    

   stop_

save_

save_XPLOR-NIH/CNS_distance_restraints_2
   _nef_distance_restraint_list.sf_category       nef_distance_restraint_list
   _nef_distance_restraint_list.sf_framecode      XPLOR-NIH/CNS_distance_restraints_2
   _nef_distance_restraint_list.restraint_origin  undefined
   _nef_distance_restraint_list.potential_type    square-well-parabolic

   loop_
      _nef_distance_restraint.index
      _nef_distance_restraint.restraint_id
      _nef_distance_restraint.restraint_combination_id
      _nef_distance_restraint.chain_code_1
      _nef_distance_restraint.sequence_code_1
      _nef_distance_restraint.residue_name_1
      _nef_distance_restraint.atom_name_1
      _nef_distance_restraint.chain_code_2
      _nef_distance_restraint.sequence_code_2
      _nef_distance_restraint.residue_name_2
      _nef_distance_restraint.atom_name_2
      _nef_distance_restraint.weight
      _nef_distance_restraint.target_value
      _nef_distance_restraint.target_value_uncertainty
      _nef_distance_restraint.lower_linear_limit
      _nef_distance_restraint.lower_limit
      _nef_distance_restraint.upper_limit
      _nef_distance_restraint.upper_linear_limit

     1   1   .   A   14   CYS   HA   A   5   CYS   HA   1.0   2.18   .   .   2.00   102.18   .    

   stop_

save_

save_XPLOR-NIH/CNS_distance_restraints_3
   _nef_distance_restraint_list.sf_category       nef_distance_restraint_list
   _nef_distance_restraint_list.sf_framecode      XPLOR-NIH/CNS_distance_restraints_3
   _nef_distance_restraint_list.restraint_origin  hbond
   _nef_distance_restraint_list.potential_type    square-well-parabolic

   loop_
      _nef_distance_restraint.index
      _nef_distance_restraint.restraint_id
      _nef_distance_restraint.restraint_combination_id
      _nef_distance_restraint.chain_code_1
      _nef_distance_restraint.sequence_code_1
      _nef_distance_restraint.residue_name_1
      _nef_distance_restraint.atom_name_1
      _nef_distance_restraint.chain_code_2
      _nef_distance_restraint.sequence_code_2
      _nef_distance_restraint.residue_name_2
      _nef_distance_restraint.atom_name_2
      _nef_distance_restraint.weight
      _nef_distance_restraint.target_value
      _nef_distance_restraint.target_value_uncertainty
      _nef_distance_restraint.lower_linear_limit
      _nef_distance_restraint.lower_limit
      _nef_distance_restraint.upper_limit
      _nef_distance_restraint.upper_linear_limit

     1    1    .   A   2   VAL   H   A   17   ARG   O   1.0   1.9   .   .   1.8   2.0   .    
     2    2    .   A   2   VAL   N   A   17   ARG   O   1.0   2.4   .   .   1.8   3.0   .    
     3    3    .   A   2   VAL   O   A   17   ARG   H   1.0   1.9   .   .   1.8   2.0   .    
     4    4    .   A   2   VAL   O   A   17   ARG   N   1.0   2.4   .   .   1.8   3.0   .    
     5    5    .   A   4   ARG   H   A   15   VAL   O   1.0   1.9   .   .   1.8   2.0   .    
     6    6    .   A   4   ARG   N   A   15   VAL   O   1.0   2.4   .   .   1.8   3.0   .    
     7    7    .   A   4   ARG   O   A   15   VAL   H   1.0   1.9   .   .   1.8   2.0   .    
     8    8    .   A   4   ARG   O   A   15   VAL   N   1.0   2.4   .   .   1.8   3.0   .    
     9    9    .   A   6   VAL   H   A   13   ARG   O   1.0   1.9   .   .   1.8   2.0   .    
     10   10   .   A   6   VAL   N   A   13   ARG   O   1.0   2.4   .   .   1.8   3.0   .    
     11   11   .   A   6   VAL   O   A   13   ARG   H   1.0   1.9   .   .   1.8   2.0   .    
     12   12   .   A   6   VAL   O   A   13   ARG   N   1.0   2.4   .   .   1.8   3.0   .    
     13   13   .   A   8   ARG   H   A   11   VAL   O   1.0   1.9   .   .   1.8   2.0   .    
     14   14   .   A   8   ARG   N   A   11   VAL   O   1.0   2.4   .   .   1.8   3.0   .    
     15   15   .   A   8   ARG   O   A   11   VAL   H   1.0   1.9   .   .   1.8   2.0   .    
     16   16   .   A   8   ARG   O   A   11   VAL   N   1.0   2.4   .   .   1.8   3.0   .    

   stop_

save_

save_XPLOR-NIH/CNS_dihedral_angle_restraints_1
   _nef_dihedral_restraint_list.sf_category       nef_dihedral_restraint_list
   _nef_dihedral_restraint_list.sf_framecode      XPLOR-NIH/CNS_dihedral_angle_restraints_1
   _nef_dihedral_restraint_list.potential_type    square-well-parabolic
   _nef_dihedral_restraint_list.restraint_origin  chemical_shift

   loop_
      _nef_dihedral_restraint.index
      _nef_dihedral_restraint.restraint_id
      _nef_dihedral_restraint.restraint_combination_id
      _nef_dihedral_restraint.chain_code_1
      _nef_dihedral_restraint.sequence_code_1
      _nef_dihedral_restraint.residue_name_1
      _nef_dihedral_restraint.atom_name_1
      _nef_dihedral_restraint.chain_code_2
      _nef_dihedral_restraint.sequence_code_2
      _nef_dihedral_restraint.residue_name_2
      _nef_dihedral_restraint.atom_name_2
      _nef_dihedral_restraint.chain_code_3
      _nef_dihedral_restraint.sequence_code_3
      _nef_dihedral_restraint.residue_name_3
      _nef_dihedral_restraint.atom_name_3
      _nef_dihedral_restraint.chain_code_4
      _nef_dihedral_restraint.sequence_code_4
      _nef_dihedral_restraint.residue_name_4
      _nef_dihedral_restraint.atom_name_4
      _nef_dihedral_restraint.weight
      _nef_dihedral_restraint.target_value
      _nef_dihedral_restraint.target_value_uncertainty
      _nef_dihedral_restraint.lower_linear_limit
      _nef_dihedral_restraint.lower_limit
      _nef_dihedral_restraint.upper_limit
      _nef_dihedral_restraint.upper_linear_limit
      _nef_dihedral_restraint.name

     1    1    .   A   1    GLY   C   A   2    VAL   N    A   2    VAL   CA   A   2    VAL   C    1.0   -109.6   .   .   -167.7   -51.5    .   PHI     
     2    2    .   A   2    VAL   N   A   2    VAL   CA   A   2    VAL   C    A   3    ABA   N    1.0   136.1    .   .   103.4    168.8    .   PSI     
     3    3    .   A   2    VAL   C   A   3    ABA   N    A   3    ABA   CA   A   3    ABA   C    1.0   -103.8   .   .   -134.1   -73.5    .   PHI     
     4    4    .   A   3    ABA   N   A   3    ABA   CA   A   3    ABA   C    A   4    ARG   N    1.0   113.8    .   .   79.8     147.8    .   PSI     
     5    5    .   A   3    ABA   C   A   4    ARG   N    A   4    ARG   CA   A   4    ARG   C    1.0   -106.7   .   .   -164.6   -48.8    .   PHI     
     6    6    .   A   4    ARG   N   A   4    ARG   CA   A   4    ARG   C    A   5    CYS   N    1.0   137.4    .   .   106.2    168.6    .   PSI     
     7    7    .   A   4    ARG   C   A   5    CYS   N    A   5    CYS   CA   A   5    CYS   C    1.0   -134.2   .   .   -179.3   -89.1    .   PHI     
     8    8    .   A   5    CYS   N   A   5    CYS   CA   A   5    CYS   C    A   6    VAL   N    1.0   149.1    .   .   108.8    189.4    .   PSI     
     9    9    .   A   5    CYS   N   A   5    CYS   CA   A   5    CYS   CB   A   5    CYS   SG   1.0   -60.0    .   .   -90.0    -30.0    .   CHI1    
     10   10   .   A   5    CYS   C   A   6    VAL   N    A   6    VAL   CA   A   6    VAL   C    1.0   -129.8   .   .   -157.2   -102.4   .   PHI     
     11   11   .   A   6    VAL   N   A   6    VAL   CA   A   6    VAL   C    A   7    ABA   N    1.0   133.3    .   .   102.6    164.0    .   PSI     
     12   12   .   A   6    VAL   C   A   7    ABA   N    A   7    ABA   CA   A   7    ABA   C    1.0   -105.3   .   .   -128.6   -82.0    .   PHI     
     13   13   .   A   7    ABA   N   A   7    ABA   CA   A   7    ABA   C    A   8    ARG   N    1.0   116.6    .   .   89.2     144.0    .   PSI     
     14   14   .   A   7    ABA   C   A   8    ARG   N    A   8    ARG   CA   A   8    ARG   C    1.0   -91.4    .   .   -134.5   -48.3    .   PHI     
     15   15   .   A   8    ARG   N   A   8    ARG   CA   A   8    ARG   C    A   9    ARG   N    1.0   136.8    .   .   98.9     174.7    .   PSI     
     16   16   .   A   8    ARG   C   A   9    ARG   N    A   9    ARG   CA   A   9    ARG   C    1.0   51.4     .   .   29.6     73.2     .   PHI     
     17   17   .   A   9    ARG   N   A   9    ARG   CA   A   9    ARG   CB   A   9    ARG   CG   1.0   180.0    .   .   150.0    210.0    .   CHI1    
     18   18   .   A   10   GLY   C   A   11   VAL   N    A   11   VAL   CA   A   11   VAL   C    1.0   -109.6   .   .   -167.7   -51.5    .   PHI     
     19   19   .   A   11   VAL   N   A   11   VAL   CA   A   11   VAL   C    A   12   ABA   N    1.0   136.1    .   .   103.4    168.8    .   PSI     
     20   20   .   A   11   VAL   C   A   12   ABA   N    A   12   ABA   CA   A   12   ABA   C    1.0   -103.3   .   .   -133.8   -72.8    .   PHI     
     21   21   .   A   12   ABA   N   A   12   ABA   CA   A   12   ABA   C    A   13   ARG   N    1.0   113.5    .   .   80.0     147.0    .   PSI     
     22   22   .   A   12   ABA   C   A   13   ARG   N    A   13   ARG   CA   A   13   ARG   C    1.0   -106.7   .   .   -164.6   -48.8    .   PHI     
     23   23   .   A   13   ARG   N   A   13   ARG   CA   A   13   ARG   C    A   14   CYS   N    1.0   137.4    .   .   106.2    168.6    .   PSI     
     24   24   .   A   13   ARG   C   A   14   CYS   N    A   14   CYS   CA   A   14   CYS   C    1.0   -134.2   .   .   -179.3   -89.1    .   PHI     
     25   25   .   A   14   CYS   N   A   14   CYS   CA   A   14   CYS   C    A   15   VAL   N    1.0   149.1    .   .   108.8    189.4    .   PSI     
     26   26   .   A   14   CYS   N   A   14   CYS   CA   A   14   CYS   CB   A   14   CYS   SG   1.0   -60.0    .   .   -90.0    -30.0    .   CHI1    
     27   27   .   A   14   CYS   C   A   15   VAL   N    A   15   VAL   CA   A   15   VAL   C    1.0   -129.8   .   .   -157.2   -102.4   .   PHI     
     28   28   .   A   15   VAL   N   A   15   VAL   CA   A   15   VAL   C    A   16   ABA   N    1.0   133.3    .   .   102.6    164.0    .   PSI     
     29   29   .   A   15   VAL   C   A   16   ABA   N    A   16   ABA   CA   A   16   ABA   C    1.0   -105.3   .   .   -128.6   -82.0    .   PHI     
     30   30   .   A   16   ABA   N   A   16   ABA   CA   A   16   ABA   C    A   17   ARG   N    1.0   116.6    .   .   89.2     144.0    .   PSI     
     31   31   .   A   16   ABA   C   A   17   ARG   N    A   17   ARG   CA   A   17   ARG   C    1.0   -91.4    .   .   -134.5   -48.3    .   PHI     
     32   32   .   A   17   ARG   N   A   17   ARG   CA   A   17   ARG   C    A   18   ARG   N    1.0   136.8    .   .   98.9     174.7    .   PSI     
     33   33   .   A   17   ARG   C   A   18   ARG   N    A   18   ARG   CA   A   18   ARG   C    1.0   51.4     .   .   29.6     73.2     .   PHI     
     34   34   .   A   18   ARG   N   A   18   ARG   CA   A   18   ARG   CB   A   18   ARG   CG   1.0   180.0    .   .   150.0    210.0    .   CHI1    

   stop_

save_
